#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mt5 s HIS 344 N 0.00 0.02 -0.02 5.64 -3.43 -1.26 -1.63 115.29 114.62 3mt5 s HIS 344 Ca 0.00 -0.28 0.07 0.00 -0.80 0.00 0.00 55.06 54.06 3mt5 s HIS 344 Cb 0.00 0.01 -0.02 0.00 -1.43 0.00 0.00 32.58 31.14 3mt5 s HIS 344 CO 0.00 -0.49 -0.24 0.96 -2.00 0.00 0.00 174.74 172.97 3mt5 s ILE 345 N -2.94 1.89 -0.10 -5.38 -4.36 -0.57 -0.20 121.20 109.54 3mt5 s ILE 345 Ca -0.02 -1.03 -0.15 0.00 -0.26 0.00 0.00 60.65 59.19 3mt5 s ILE 345 Cb 0.01 -1.57 -0.05 0.00 1.25 0.00 0.00 42.46 42.10 3mt5 s ILE 345 CO -0.06 0.53 0.37 -0.69 0.24 0.00 0.00 174.94 175.33 3mt5 s VAL 346 N -0.57 5.21 -0.28 8.37 1.01 -1.00 -0.67 120.40 132.47 3mt5 s VAL 346 Ca 0.09 0.73 0.03 0.00 0.00 0.00 0.00 61.98 62.83 3mt5 s VAL 346 Cb -0.09 -3.69 0.07 0.00 0.00 0.00 0.00 36.38 32.67 3mt5 s VAL 346 CO -0.01 0.43 -0.05 -0.69 0.00 0.00 0.00 175.10 174.79 3mt5 s VAL 347 N 0.02 2.05 0.18 2.92 1.01 0.41 0.11 120.40 127.09 3mt5 s VAL 347 Ca 0.21 -1.76 0.00 0.00 0.00 0.00 0.00 61.98 60.43 3mt5 s VAL 347 Cb -0.15 -2.29 0.00 0.00 0.00 0.00 0.00 36.38 33.94 3mt5 s VAL 347 CO 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 175.10 174.96 3mt5 n GLY 349 N 2.90 0.90 3.48 0.00 0.00 -1.26 -0.99 105.19 110.23 3mt5 n GLY 349 Ca -0.07 -1.33 -0.44 0.00 0.00 0.00 0.00 46.02 44.18 3mt5 n GLY 349 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3mt5 s HIS 350 N 0.00 3.26 -0.49 1.61 5.65 0.40 -4.90 115.29 120.83 3mt5 s HIS 350 Ca 0.00 -1.83 -0.22 0.00 0.25 0.00 0.00 55.06 53.26 3mt5 s HIS 350 Cb 0.00 -4.39 0.04 0.00 -1.18 0.00 0.00 32.58 27.04 3mt5 s HIS 350 CO 0.00 -1.51 0.76 0.42 -0.65 0.00 0.00 174.74 173.77 3mt5 s ILE 351 N 2.39 4.67 -0.03 0.89 -1.09 -1.26 -4.88 121.20 121.88 3mt5 s ILE 351 Ca 0.42 0.11 0.05 0.00 -2.23 0.00 0.00 60.65 59.00 3mt5 s ILE 351 Cb -0.02 -4.35 -0.01 0.00 -1.58 0.00 0.00 42.46 36.50 3mt5 s ILE 351 CO -0.01 -0.82 -0.17 0.28 -1.23 0.00 0.00 174.94 172.99 3mt5 s THR 352 N 3.22 1.39 0.26 2.92 -1.32 -1.26 -4.97 115.64 115.87 3mt5 s THR 352 Ca 0.25 -0.71 0.12 0.00 -1.21 0.00 0.00 61.69 60.14 3mt5 s THR 352 Cb -0.14 -1.18 0.26 0.00 -1.51 0.00 0.00 72.50 69.93 3mt5 s THR 352 CO 0.19 0.40 1.13 0.00 -2.21 0.00 0.00 174.62 174.13 3mt5 n LEU 353 N 2.99 0.17 -0.25 9.08 -0.00 -1.26 0.16 117.00 127.90 3mt5 n LEU 353 Ca -0.17 1.20 -0.06 0.00 -0.00 0.00 0.00 56.01 56.98 3mt5 n LEU 353 Cb 0.53 -0.55 0.05 0.00 -0.00 0.00 0.00 43.42 43.45 3mt5 n LEU 353 CO 0.25 -1.31 1.10 -0.08 -0.00 0.00 0.00 177.39 177.34 3mt5 h GLU 354 N 0.00 0.95 0.13 1.47 4.57 -1.99 -2.26 114.58 117.45 3mt5 h GLU 354 Ca 0.57 -0.10 -0.34 0.00 -1.18 0.00 0.00 59.36 58.31 3mt5 h GLU 354 Cb 1.45 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.84 3mt5 h GLU 354 CO -0.58 0.70 -1.78 0.66 -1.18 0.00 0.00 179.01 176.83 3mt5 h SER 355 N 0.93 0.43 0.30 1.04 4.64 0.12 -3.03 113.55 117.99 3mt5 h SER 355 Ca 0.24 -0.75 -0.00 0.00 -0.47 0.00 0.00 61.79 60.81 3mt5 h SER 355 Cb 0.02 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 61.94 3mt5 h SER 355 CO -0.04 1.65 -0.50 0.58 -0.87 0.00 0.00 176.83 177.65 3mt5 h VAL 356 N 0.08 0.00 0.00 0.95 2.07 -0.24 0.68 116.25 119.78 3mt5 h VAL 356 Ca -0.34 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 3mt5 h VAL 356 Cb 2.05 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.82 3mt5 h VAL 356 CO 0.13 0.00 -0.15 0.77 0.02 0.00 0.00 177.57 178.35 3mt5 h SER 357 N -0.84 0.00 -0.15 0.57 4.64 -1.57 0.15 113.55 116.35 3mt5 h SER 357 Ca -0.03 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.10 3mt5 h SER 357 Cb 0.78 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.88 3mt5 h SER 357 CO -0.17 0.15 -0.63 -1.13 -0.87 0.00 0.00 176.83 174.18 3mt5 h ASN 358 N 0.00 0.81 0.00 4.97 -0.73 -1.36 -2.70 115.58 116.57 3mt5 h ASN 358 Ca -0.00 -0.62 -0.00 0.00 1.87 0.00 0.00 56.30 57.55 3mt5 h ASN 358 Cb 0.28 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 38.63 3mt5 h ASN 358 CO 0.02 1.30 -0.00 0.15 -0.37 0.00 0.00 177.43 178.52 3mt5 h PHE 359 N 0.37 -0.00 -0.84 0.67 3.57 0.14 -2.29 116.94 118.57 3mt5 h PHE 359 Ca -0.04 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.53 3mt5 h PHE 359 Cb 1.26 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.95 3mt5 h PHE 359 CO 0.10 0.19 0.55 -0.07 -2.23 0.00 0.00 178.31 176.84 3mt5 h LEU 360 N -0.20 0.82 0.12 0.59 3.38 -0.84 0.09 115.31 119.28 3mt5 h LEU 360 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3mt5 h LEU 360 Cb 0.20 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3mt5 h LEU 360 CO 0.00 0.53 -0.06 0.11 0.09 0.00 0.00 178.44 179.11 3mt5 h LYS 361 N 0.93 -0.16 0.67 1.13 1.57 -1.34 -2.25 116.57 117.11 3mt5 h LYS 361 Ca 0.36 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.12 3mt5 h LYS 361 Cb 0.22 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 3mt5 h LYS 361 CO -0.13 -0.11 -0.50 -0.44 -0.57 0.00 0.00 179.45 177.71 3mt5 h ASP 362 N -0.16 -1.30 -0.97 0.86 3.32 -0.67 -2.81 116.42 114.69 3mt5 h ASP 362 Ca -0.02 0.09 0.07 0.00 0.02 0.00 0.00 57.03 57.19 3mt5 h ASP 362 Cb 0.13 0.40 -0.07 0.00 0.22 0.00 0.00 39.33 40.01 3mt5 h ASP 362 CO 0.03 -0.71 0.63 0.15 -1.72 0.00 0.00 179.24 177.61 3mt5 h PHE 363 N -1.12 1.14 0.00 4.55 3.57 -1.05 -2.53 116.94 121.49 3mt5 h PHE 363 Ca -0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.44 3mt5 h PHE 363 Cb 0.92 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 39.29 3mt5 h PHE 363 CO -0.17 0.57 -0.32 1.28 -2.23 0.00 0.00 178.31 177.44 3mt5 n LEU 364 N -4.51 0.39 0.09 0.59 4.77 -0.85 -0.47 117.00 117.00 3mt5 n LEU 364 Ca 0.15 0.24 -0.11 0.00 -0.03 0.00 0.00 56.01 56.26 3mt5 n LEU 364 Cb 0.21 -0.33 -0.07 0.00 -2.33 0.00 0.00 43.42 40.90 3mt5 n LEU 364 CO 0.32 0.04 0.13 0.45 -1.33 0.00 0.00 177.39 176.99 3mt5 h HIS 365 N 0.00 0.33 0.00 -1.77 3.86 -1.18 -3.37 115.15 113.01 3mt5 h HIS 365 Ca 0.00 -0.21 -0.23 0.00 -1.16 0.00 0.00 60.37 58.77 3mt5 h HIS 365 Cb 0.55 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 28.96 3mt5 h HIS 365 CO 0.00 1.09 -1.84 1.17 0.86 0.00 0.00 177.93 179.21 3mt5 n LYS 366 N -3.57 0.65 -2.17 2.45 3.00 -1.08 -4.82 118.16 112.62 3mt5 n LYS 366 Ca -0.05 0.11 -0.41 0.00 -0.00 0.00 0.00 58.31 57.97 3mt5 n LYS 366 Cb 0.90 -1.68 -0.03 0.00 0.00 0.00 0.00 35.03 34.22 3mt5 n LYS 366 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 3mt5 s ASP 367 N -5.59 5.72 0.23 3.14 2.15 0.38 -4.87 116.67 117.82 3mt5 s ASP 367 Ca -0.06 0.50 -0.06 0.00 0.43 0.00 0.00 52.55 53.36 3mt5 s ASP 367 Cb 0.08 -2.54 0.35 0.00 -0.30 0.00 0.00 42.92 40.52 3mt5 s ASP 367 CO 0.83 -1.99 1.79 0.08 -0.17 0.00 0.00 175.17 175.71 3mt5 h ARG 368 N 13.06 0.67 -2.40 4.34 0.11 -1.89 -3.24 114.38 125.03 3mt5 h ARG 368 Ca -0.28 -0.04 -0.60 0.00 0.10 0.00 0.00 59.98 59.16 3mt5 h ARG 368 Cb 1.14 -0.15 -0.42 0.00 1.11 0.00 0.00 29.97 31.65 3mt5 h ARG 368 CO 1.17 0.44 -0.59 -0.40 0.10 0.00 0.00 179.97 180.69 3mt5 n ASP 369 N -4.81 3.61 0.00 0.08 5.68 -1.26 -4.91 116.55 114.94 3mt5 n ASP 369 Ca 0.12 -3.40 0.13 0.00 -0.50 0.00 0.00 54.79 51.14 3mt5 n ASP 369 Cb 0.26 -0.69 0.77 0.00 -1.14 0.00 0.00 41.12 40.32 3mt5 n ASP 369 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3mt5 n ASP 370 N 1.10 0.00 -0.15 -1.12 5.75 -1.23 -3.45 116.55 117.46 3mt5 n ASP 370 Ca 0.28 -0.77 -0.10 0.00 -0.01 0.00 0.00 54.79 54.19 3mt5 n ASP 370 Cb 0.40 -0.02 -0.01 0.00 -1.03 0.00 0.00 41.12 40.45 3mt5 n ASP 370 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 3mt5 h VAL 371 N 0.00 1.25 0.36 2.12 2.07 -1.92 -3.34 116.25 116.80 3mt5 h VAL 371 Ca 0.00 -0.96 -0.02 0.00 0.82 0.00 0.00 66.70 66.54 3mt5 h VAL 371 Cb 0.02 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3mt5 h VAL 371 CO 0.00 0.33 -0.17 -0.55 0.02 0.00 0.00 177.57 177.20 3mt5 h ASN 372 N 0.56 -0.41 -2.60 0.57 7.08 -1.94 -3.47 115.58 115.37 3mt5 h ASN 372 Ca 0.12 0.01 -0.60 0.00 -3.08 0.00 0.00 56.30 52.76 3mt5 h ASN 372 Cb 0.44 0.11 0.09 0.00 -2.08 0.00 0.00 38.32 36.87 3mt5 h ASN 372 CO 0.02 -0.14 0.47 0.55 -2.08 0.00 0.00 177.43 176.25 3mt5 n VAL 373 N -4.16 1.22 -3.95 6.14 3.14 -1.25 -4.67 118.33 114.81 3mt5 n VAL 373 Ca -0.06 -0.30 -0.35 0.00 -2.96 0.00 0.00 64.34 60.66 3mt5 n VAL 373 Cb 0.19 -1.31 -0.12 0.00 -1.06 0.00 0.00 33.84 31.54 3mt5 n VAL 373 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 3mt5 s GLU 374 N -0.76 3.73 -0.42 1.45 0.41 -0.65 -4.78 118.70 117.69 3mt5 s GLU 374 Ca 0.66 -0.46 -0.20 0.00 -0.41 0.00 0.00 54.97 54.56 3mt5 s GLU 374 Cb -0.68 -3.21 0.02 0.00 -1.78 0.00 0.00 34.13 28.48 3mt5 s GLU 374 CO 0.53 0.01 0.61 0.42 -0.49 0.00 0.00 175.26 176.33 3mt5 s ILE 375 N 1.07 4.88 -0.35 -1.63 1.09 0.12 -1.52 121.20 124.87 3mt5 s ILE 375 Ca 0.03 0.13 -0.10 0.00 -1.10 0.00 0.00 60.65 59.61 3mt5 s ILE 375 Cb -0.14 -4.15 0.01 0.00 -1.06 0.00 0.00 42.46 37.12 3mt5 s ILE 375 CO 0.03 -0.52 0.18 -0.69 -0.10 0.00 0.00 174.94 173.84 3mt5 s VAL 376 N 2.69 4.53 0.21 2.92 1.01 0.15 -2.10 120.40 129.81 3mt5 s VAL 376 Ca 0.21 -0.70 -0.15 0.00 0.00 0.00 0.00 61.98 61.35 3mt5 s VAL 376 Cb -0.15 -3.44 -0.08 0.00 0.00 0.00 0.00 36.38 32.72 3mt5 s VAL 376 CO 0.17 -0.11 0.62 -0.36 0.00 0.00 0.00 175.10 175.42 3mt5 s PHE 377 N 1.57 3.54 -0.17 5.22 0.08 0.61 -0.45 117.98 128.38 3mt5 s PHE 377 Ca 0.03 1.12 -0.04 0.00 0.12 0.00 0.00 56.93 58.15 3mt5 s PHE 377 Cb -0.18 -2.43 0.07 0.00 -0.57 0.00 0.00 43.02 39.92 3mt5 s PHE 377 CO 0.06 0.32 0.18 -1.17 -0.10 0.00 0.00 175.22 174.51 3mt5 s LEU 378 N -2.30 0.00 -0.04 -0.37 2.96 -1.07 -1.93 118.68 115.93 3mt5 s LEU 378 Ca 0.43 -0.18 -0.13 0.00 -0.22 0.00 0.00 54.13 54.04 3mt5 s LEU 378 Cb -0.14 0.22 0.02 0.00 0.50 0.00 0.00 46.19 46.79 3mt5 s LEU 378 CO 0.20 -0.31 0.29 -2.28 -1.32 0.00 0.00 176.35 172.93 3mt5 s HIS 379 N 2.28 -0.21 0.15 5.38 2.46 -1.22 -3.99 115.29 120.14 3mt5 s HIS 379 Ca 0.05 0.39 -0.12 0.00 0.47 0.00 0.00 55.06 55.85 3mt5 s HIS 379 Cb -0.15 0.09 0.02 0.00 -0.13 0.00 0.00 32.58 32.41 3mt5 s HIS 379 CO -0.10 -0.31 1.62 -0.97 -2.47 0.00 0.00 174.74 172.51 3mt5 h ASN 380 N 4.43 0.83 -1.93 9.88 -1.24 -1.58 -3.39 115.58 122.58 3mt5 h ASN 380 Ca -0.29 -0.28 -0.63 0.00 0.71 0.00 0.00 56.30 55.81 3mt5 h ASN 380 Cb 1.18 -0.22 0.12 0.00 0.73 0.00 0.00 38.32 40.13 3mt5 h ASN 380 CO 0.37 0.91 -0.27 -0.38 -1.29 0.00 0.00 177.43 176.77 3mt5 n ILE 381 N -4.37 1.89 -1.90 2.57 5.41 -1.26 -4.86 119.36 116.84 3mt5 n ILE 381 Ca 0.01 -0.50 -0.41 0.00 1.00 0.00 0.00 62.75 62.85 3mt5 n ILE 381 Cb 0.29 -0.51 -0.00 0.00 -0.71 0.00 0.00 39.64 38.70 3mt5 n ILE 381 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 3mt5 s SER 382 N -0.82 6.39 0.06 4.38 0.15 -1.26 -4.86 113.70 117.74 3mt5 s SER 382 Ca 0.62 2.91 -0.04 0.00 0.70 0.00 0.00 55.95 60.13 3mt5 s SER 382 Cb -0.75 -2.66 0.07 0.00 -1.71 0.00 0.00 66.02 60.97 3mt5 s SER 382 CO 0.58 -0.82 0.40 -2.65 1.20 0.00 0.00 173.24 171.96 3mt5 n PRO 383 N 0.44 -0.06 -3.15 5.44 -0.02 -1.26 -4.81 135.00 131.57 3mt5 n PRO 383 Ca 0.01 0.40 -0.15 0.00 -2.02 0.00 0.00 63.50 61.75 3mt5 n PRO 383 Cb 0.41 -0.60 0.06 0.00 -0.02 0.00 0.00 33.50 33.35 3mt5 n PRO 383 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3mt5 n ASN 384 N -4.39 -3.44 0.02 2.55 2.85 -1.26 -4.80 115.26 106.79 3mt5 n ASN 384 Ca 0.03 -0.42 0.21 0.00 -0.11 0.00 0.00 54.58 54.28 3mt5 n ASN 384 Cb 0.11 -3.83 0.57 0.00 1.24 0.00 0.00 39.78 37.86 3mt5 n ASN 384 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 3mt5 h LEU 385 N -1.65 0.00 0.11 1.20 5.85 -1.97 -1.17 115.31 117.69 3mt5 h LEU 385 Ca -0.42 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 3mt5 h LEU 385 Cb 1.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.29 3mt5 h LEU 385 CO 0.38 0.00 -0.06 -0.08 -0.34 0.00 0.00 178.44 178.35 3mt5 h GLU 386 N 0.00 -0.15 0.00 1.25 4.22 -2.00 -2.81 114.58 115.09 3mt5 h GLU 386 Ca 0.27 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.72 3mt5 h GLU 386 Cb 1.86 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.14 3mt5 h GLU 386 CO -0.00 -0.10 0.00 1.28 -2.18 0.00 0.00 179.01 178.01 3mt5 n LEU 387 N -3.47 0.00 -0.05 1.64 4.32 -0.60 -3.61 117.00 115.23 3mt5 n LEU 387 Ca -0.02 0.00 -0.06 0.00 -0.02 0.00 0.00 56.01 55.91 3mt5 n LEU 387 Cb 0.06 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 41.82 3mt5 n LEU 387 CO 0.05 0.00 -0.80 1.21 -1.22 0.00 0.00 177.39 176.63 3mt5 n GLU 388 N -0.76 0.38 0.00 3.23 0.00 -0.55 -4.57 120.64 118.38 3mt5 n GLU 388 Ca 0.07 0.05 0.09 0.00 0.00 0.00 0.00 57.16 57.37 3mt5 n GLU 388 Cb 0.03 -1.18 0.44 0.00 0.00 0.00 0.00 31.44 30.73 3mt5 n GLU 388 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3mt5 n ALA 389 N -2.74 1.95 0.23 4.31 0.00 -1.06 -0.63 120.51 122.57 3mt5 n ALA 389 Ca -0.16 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.33 3mt5 n ALA 389 Cb 0.68 -1.29 0.36 0.00 0.00 0.00 0.00 19.45 19.19 3mt5 n ALA 389 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 3mt5 h LEU 390 N 0.00 0.00 0.18 0.00 8.10 -1.81 -1.69 115.31 120.09 3mt5 h LEU 390 Ca 0.00 0.00 -0.33 0.00 0.11 0.00 0.00 57.88 57.66 3mt5 h LEU 390 Cb 0.19 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.42 3mt5 h LEU 390 CO 0.00 0.06 -1.59 -0.26 -4.11 0.00 0.00 178.44 172.54 3mt5 h PHE 391 N 0.00 0.69 0.00 0.17 0.04 -1.13 -0.86 116.94 115.85 3mt5 h PHE 391 Ca -0.00 -0.50 0.00 0.00 2.80 0.00 0.00 57.97 60.26 3mt5 h PHE 391 Cb 0.85 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.97 3mt5 h PHE 391 CO 0.00 1.54 0.00 -0.22 -0.60 0.00 0.00 178.31 179.03 3mt5 h LYS 392 N 0.10 0.00 0.00 1.51 3.64 -1.46 -2.59 116.57 117.77 3mt5 h LYS 392 Ca -0.28 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 3mt5 h LYS 392 Cb 2.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.91 3mt5 h LYS 392 CO 0.20 0.00 0.00 -2.13 -2.27 0.00 0.00 179.45 175.25 3mt5 n ARG 393 N -3.04 0.00 0.31 1.90 0.63 -0.64 -4.29 116.66 111.53 3mt5 n ARG 393 Ca -0.02 0.40 0.15 0.00 -0.92 0.00 0.00 57.85 57.46 3mt5 n ARG 393 Cb 0.14 -0.90 0.78 0.00 0.45 0.00 0.00 32.46 32.93 3mt5 n ARG 393 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3mt5 h HIS 394 N 0.00 0.00 -3.72 -0.14 3.86 -1.20 -3.40 115.15 110.54 3mt5 h HIS 394 Ca 0.00 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.88 3mt5 h HIS 394 Cb 0.00 0.00 -0.30 0.00 1.06 0.00 0.00 27.41 28.17 3mt5 h HIS 394 CO 0.00 0.00 -0.75 -0.06 0.86 0.00 0.00 177.93 177.98 3mt5 s PHE 395 N -4.14 0.40 -1.66 2.45 0.08 -0.98 -5.04 117.98 109.09 3mt5 s PHE 395 Ca -0.03 -0.07 0.21 0.00 0.12 0.00 0.00 56.93 57.16 3mt5 s PHE 395 Cb 0.09 -0.33 -0.07 0.00 -0.57 0.00 0.00 43.02 42.14 3mt5 s PHE 395 CO 0.29 -0.06 0.99 2.41 -0.10 0.00 0.00 175.22 178.75 3mt5 n THR 396 N 3.40 0.00 -1.13 0.64 -1.04 -1.26 -4.34 114.28 110.55 3mt5 n THR 396 Ca -0.18 -0.20 -0.02 0.00 -2.04 0.00 0.00 64.05 61.60 3mt5 n THR 396 Cb 0.55 1.18 0.26 0.00 -1.82 0.00 0.00 70.33 70.51 3mt5 n THR 396 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3mt5 n GLN 397 N -0.44 3.03 -5.30 -2.82 0.00 -1.26 -4.97 117.38 105.61 3mt5 n GLN 397 Ca 0.07 -3.04 -0.31 0.00 0.00 0.00 0.00 57.00 53.72 3mt5 n GLN 397 Cb 0.41 -2.03 -0.16 0.00 0.00 0.00 0.00 30.24 28.46 3mt5 n GLN 397 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 3mt5 s VAL 398 N -3.02 2.06 -0.02 -0.39 1.01 -1.26 0.14 120.40 118.92 3mt5 s VAL 398 Ca 0.49 -1.11 0.01 0.00 0.00 0.00 0.00 61.98 61.37 3mt5 s VAL 398 Cb 0.41 -1.70 0.01 0.00 0.00 0.00 0.00 36.38 35.10 3mt5 s VAL 398 CO 0.09 0.58 -0.02 -1.61 0.00 0.00 0.00 175.10 174.13 3mt5 s GLU 399 N -0.62 0.37 0.05 2.72 2.02 -0.89 -4.89 118.70 117.45 3mt5 s GLU 399 Ca 0.10 -0.06 0.02 0.00 0.02 0.00 0.00 54.97 55.06 3mt5 s GLU 399 Cb -0.10 -0.43 -0.04 0.00 0.10 0.00 0.00 34.13 33.66 3mt5 s GLU 399 CO -0.01 -0.02 0.08 -0.06 0.02 0.00 0.00 175.26 175.27 3mt5 s PHE 400 N 0.43 3.21 0.09 1.61 0.08 -1.26 -0.29 117.98 121.85 3mt5 s PHE 400 Ca -0.04 0.11 0.02 0.00 0.12 0.00 0.00 56.93 57.13 3mt5 s PHE 400 Cb -0.07 -1.65 -0.04 0.00 -0.57 0.00 0.00 43.02 40.68 3mt5 s PHE 400 CO -0.01 0.53 -0.06 0.71 -0.10 0.00 0.00 175.22 176.29 3mt5 s TYR 401 N -1.32 0.86 -0.02 0.36 2.02 -0.81 -4.95 117.35 113.49 3mt5 s TYR 401 Ca 0.27 -0.92 0.08 0.00 -0.37 0.00 0.00 57.07 56.14 3mt5 s TYR 401 Cb -0.12 -0.50 -0.23 0.00 -0.40 0.00 0.00 41.96 40.70 3mt5 s TYR 401 CO 0.19 -0.17 0.76 0.37 -1.57 0.00 0.00 175.55 175.14 3mt5 h GLN 402 N 3.02 0.05 0.00 -0.62 5.75 -1.89 -3.26 115.11 118.16 3mt5 h GLN 402 Ca -0.35 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.07 3mt5 h GLN 402 Cb 1.16 0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.74 3mt5 h GLN 402 CO 0.64 0.70 0.00 0.41 -2.65 0.00 0.00 178.83 177.93 3mt5 n GLY 403 N 1.57 -3.11 3.09 2.39 0.00 -1.26 -3.62 105.19 104.25 3mt5 n GLY 403 Ca -0.15 -1.33 -0.18 0.00 0.00 0.00 0.00 46.02 44.36 3mt5 n GLY 403 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3mt5 s SER 404 N -1.77 1.31 0.00 1.61 0.15 -1.26 -2.74 113.70 110.99 3mt5 s SER 404 Ca 0.00 -0.40 0.03 0.00 0.70 0.00 0.00 55.95 56.28 3mt5 s SER 404 Cb 0.00 -0.08 0.13 0.00 -1.71 0.00 0.00 66.02 64.36 3mt5 s SER 404 CO 0.00 0.00 1.10 0.52 1.20 0.00 0.00 173.24 176.06 3mt5 n VAL 405 N 2.06 1.79 0.00 4.45 0.31 -1.26 -2.05 118.33 123.63 3mt5 n VAL 405 Ca -0.18 0.45 -0.08 0.00 -0.01 0.00 0.00 64.34 64.52 3mt5 n VAL 405 Cb 0.55 -1.40 -0.13 0.00 -0.91 0.00 0.00 33.84 31.95 3mt5 n VAL 405 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3mt5 h LEU 406 N 0.00 0.00 -8.84 7.52 4.07 -1.96 -3.40 115.31 112.70 3mt5 h LEU 406 Ca 0.00 0.00 -0.58 0.00 0.08 0.00 0.00 57.88 57.38 3mt5 h LEU 406 Cb 0.05 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 41.71 3mt5 h LEU 406 CO 0.00 0.98 0.74 0.21 -1.08 0.00 0.00 178.44 179.29 3mt5 s ASN 407 N -6.23 6.74 0.64 -0.43 3.04 -0.87 -4.95 114.94 112.88 3mt5 s ASN 407 Ca -0.03 0.68 0.39 0.00 0.04 0.00 0.00 52.86 53.93 3mt5 s ASN 407 Cb 0.08 -2.51 2.19 0.00 -1.54 0.00 0.00 41.25 39.48 3mt5 s ASN 407 CO 0.82 -0.96 2.33 -0.65 -3.04 0.00 0.00 177.10 175.60 3mt5 h PRO 408 N 8.54 0.00 -0.09 0.43 0.11 -1.86 -1.17 132.00 137.97 3mt5 h PRO 408 Ca -0.22 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.69 3mt5 h PRO 408 Cb 1.07 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3mt5 h PRO 408 CO 1.03 0.00 -0.76 1.25 -0.21 0.00 0.00 178.00 179.32 3mt5 h HIS 409 N 0.00 0.69 -0.62 0.65 2.76 -1.93 -2.65 115.15 114.04 3mt5 h HIS 409 Ca -0.00 -0.31 -0.06 0.00 -2.20 0.00 0.00 60.37 57.80 3mt5 h HIS 409 Cb 0.01 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 28.84 3mt5 h HIS 409 CO 0.00 1.09 0.17 -0.44 -1.30 0.00 0.00 177.93 177.45 3mt5 h ASP 410 N 0.34 0.93 -0.36 3.26 3.32 -1.50 0.16 116.42 122.57 3mt5 h ASP 410 Ca -0.04 -0.22 0.09 0.00 0.02 0.00 0.00 57.03 56.88 3mt5 h ASP 410 Cb 1.35 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.64 3mt5 h ASP 410 CO 0.14 0.91 0.25 -0.07 -1.72 0.00 0.00 179.24 178.75 3mt5 h LEU 411 N 0.91 0.06 0.05 1.55 4.07 -1.47 -0.37 115.31 120.10 3mt5 h LEU 411 Ca 0.20 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.16 3mt5 h LEU 411 Cb 0.33 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.06 3mt5 h LEU 411 CO -0.00 0.04 -0.02 0.00 -1.08 0.00 0.00 178.44 177.37 3mt5 h ALA 412 N 1.82 -0.07 0.00 1.53 0.00 -1.03 -1.68 119.26 119.84 3mt5 h ALA 412 Ca 0.17 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3mt5 h ALA 412 Cb 0.59 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3mt5 h ALA 412 CO -0.01 -0.15 0.00 2.89 0.00 0.00 0.00 179.25 181.98 3mt5 n ARG 413 N -4.77 0.63 0.00 0.00 1.85 -0.02 -0.73 116.66 113.62 3mt5 n ARG 413 Ca -0.08 0.00 0.04 0.00 -1.00 0.00 0.00 57.85 56.81 3mt5 n ARG 413 Cb 0.32 -1.35 -0.01 0.00 -1.05 0.00 0.00 32.46 30.37 3mt5 n ARG 413 CO 0.00 0.00 0.00 1.55 -0.01 0.00 0.00 177.63 179.17 3mt5 n VAL 414 N -0.85 0.00 -3.40 8.89 3.14 -0.20 -5.03 118.33 120.88 3mt5 n VAL 414 Ca 0.11 -0.40 -0.18 0.00 -2.96 0.00 0.00 64.34 60.91 3mt5 n VAL 414 Cb 0.05 1.08 0.07 0.00 -1.06 0.00 0.00 33.84 33.98 3mt5 n VAL 414 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 3mt5 n LYS 415 N -0.44 -4.41 0.04 1.45 5.02 0.09 -4.91 118.16 114.99 3mt5 n LYS 415 Ca 0.03 0.81 -0.01 0.00 -2.02 0.00 0.00 58.31 57.12 3mt5 n LYS 415 Cb 0.16 -5.68 0.27 0.00 -0.02 0.00 0.00 35.03 29.77 3mt5 n LYS 415 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 3mt5 h ILE 416 N -1.57 1.23 -0.38 -0.18 6.09 -1.55 -2.77 117.51 118.38 3mt5 h ILE 416 Ca -0.60 -1.03 0.11 0.00 -1.37 0.00 0.00 64.86 61.97 3mt5 h ILE 416 Cb 1.33 1.21 -0.02 0.00 0.47 0.00 0.00 36.82 39.82 3mt5 h ILE 416 CO 0.48 0.33 0.40 1.05 -3.07 0.00 0.00 178.15 177.34 3mt5 h GLU 417 N 0.39 0.00 -0.02 2.19 9.09 -1.91 -1.32 114.58 122.99 3mt5 h GLU 417 Ca 0.07 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.48 3mt5 h GLU 417 Cb 0.50 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.60 3mt5 h GLU 417 CO 0.03 0.00 0.00 -1.13 0.05 0.00 0.00 179.01 177.96 3mt5 n SER 418 N -3.76 1.58 -4.77 3.06 3.41 -1.06 -4.97 113.62 107.10 3mt5 n SER 418 Ca 0.07 -1.32 -0.40 0.00 -0.26 0.00 0.00 58.87 56.95 3mt5 n SER 418 Cb 0.57 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.49 3mt5 n SER 418 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mt5 s ALA 419 N -0.53 3.46 0.17 7.33 0.00 -0.50 -4.57 121.76 127.12 3mt5 s ALA 419 Ca 0.07 1.22 -0.13 0.00 0.00 0.00 0.00 51.96 53.12 3mt5 s ALA 419 Cb 0.05 -3.47 0.07 0.00 0.00 0.00 0.00 23.12 19.77 3mt5 s ALA 419 CO 0.07 -0.62 1.78 0.22 0.00 0.00 0.00 175.76 177.21 3mt5 h ASP 420 N 3.31 0.69 -5.04 0.00 3.58 -0.91 -3.45 116.42 114.60 3mt5 h ASP 420 Ca -0.49 -0.09 -0.02 0.00 0.42 0.00 0.00 57.03 56.85 3mt5 h ASP 420 Cb 1.23 -0.18 -0.11 0.00 1.72 0.00 0.00 39.33 41.99 3mt5 h ASP 420 CO 0.65 0.58 0.10 0.00 -2.88 0.00 0.00 179.24 177.69 3mt5 s ALA 421 N -5.86 -1.24 -0.09 -0.78 0.00 -1.26 -4.22 121.76 108.32 3mt5 s ALA 421 Ca -0.13 0.12 0.04 0.00 0.00 0.00 0.00 51.96 51.98 3mt5 s ALA 421 Cb 0.12 0.83 -0.01 0.00 0.00 0.00 0.00 23.12 24.07 3mt5 s ALA 421 CO 0.76 -0.77 -0.22 0.00 0.00 0.00 0.00 175.76 175.54 3mt5 s LEU 423 N 0.13 2.99 -0.21 0.00 1.02 0.12 -2.24 118.68 120.48 3mt5 s LEU 423 Ca -0.11 -0.35 -0.16 0.00 0.02 0.00 0.00 54.13 53.53 3mt5 s LEU 423 Cb -0.16 -1.77 -0.04 0.00 0.02 0.00 0.00 46.19 44.25 3mt5 s LEU 423 CO 0.06 -0.01 0.40 -0.63 0.02 0.00 0.00 176.35 176.19 3mt5 s ILE 424 N 1.43 5.19 -0.20 -0.59 -1.09 0.30 -0.97 121.20 125.28 3mt5 s ILE 424 Ca 0.05 0.69 -0.09 0.00 -2.23 0.00 0.00 60.65 59.08 3mt5 s ILE 424 Cb -0.14 -3.73 -0.05 0.00 -1.58 0.00 0.00 42.46 36.96 3mt5 s ILE 424 CO -0.02 0.24 0.10 -0.76 -1.23 0.00 0.00 174.94 173.27 3mt5 s LEU 425 N 1.41 4.00 0.31 2.97 1.43 -0.16 -3.15 118.68 125.49 3mt5 s LEU 425 Ca 0.19 0.14 -0.11 0.00 -1.03 0.00 0.00 54.13 53.32 3mt5 s LEU 425 Cb -0.15 -2.03 -0.07 0.00 0.03 0.00 0.00 46.19 43.97 3mt5 s LEU 425 CO 0.08 0.16 0.66 0.00 0.23 0.00 0.00 176.35 177.49 3mt5 s ALA 426 N 0.45 3.45 -0.93 4.21 0.00 -1.26 -0.45 121.76 127.22 3mt5 s ALA 426 Ca 0.06 -0.20 -0.24 0.00 0.00 0.00 0.00 51.96 51.57 3mt5 s ALA 426 Cb -0.12 -2.58 0.01 0.00 0.00 0.00 0.00 23.12 20.43 3mt5 s ALA 426 CO -0.00 0.28 1.65 1.21 0.00 0.00 0.00 175.76 178.90 3mt5 s ASN 427 N -2.66 5.89 0.53 0.00 3.84 -1.26 -4.73 114.94 116.56 3mt5 s ASN 427 Ca 0.50 -0.98 0.27 0.00 0.21 0.00 0.00 52.86 52.86 3mt5 s ASN 427 Cb -0.11 -2.56 1.41 0.00 -0.55 0.00 0.00 41.25 39.45 3mt5 s ASN 427 CO 0.24 -2.05 1.96 0.11 -2.79 0.00 0.00 177.10 174.57 3mt5 h LYS 428 N 10.68 0.01 -0.50 0.43 1.57 -1.98 -2.34 116.57 124.44 3mt5 h LYS 428 Ca 0.10 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3mt5 h LYS 428 Cb 1.02 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.33 3mt5 h LYS 428 CO 1.32 0.01 0.00 0.66 -0.57 0.00 0.00 179.45 180.87 3mt5 n TYR 429 N -4.35 0.66 -1.77 -1.35 4.01 -1.26 -4.99 117.16 108.11 3mt5 n TYR 429 Ca 0.12 -0.46 -0.41 0.00 -0.16 0.00 0.00 57.90 56.99 3mt5 n TYR 429 Cb 0.71 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 39.72 3mt5 n TYR 429 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3mt5 h ALA 431 N 4.44 1.00 -3.17 0.00 0.00 -1.94 -3.31 119.26 116.28 3mt5 h ALA 431 Ca -0.48 -0.26 -0.64 0.00 0.00 0.00 0.00 54.91 53.53 3mt5 h ALA 431 Cb 1.22 -0.04 -0.40 0.00 0.00 0.00 0.00 17.79 18.57 3mt5 h ALA 431 CO 0.76 0.35 -0.52 0.34 0.00 0.00 0.00 179.25 180.18 3mt5 s ASP 432 N -6.28 4.82 0.24 0.00 -1.08 -1.26 -4.60 116.67 108.50 3mt5 s ASP 432 Ca 0.01 -3.45 -0.05 0.00 -0.52 0.00 0.00 52.55 48.53 3mt5 s ASP 432 Cb 0.10 -1.69 0.37 0.00 -1.46 0.00 0.00 42.92 40.24 3mt5 s ASP 432 CO 0.66 -0.17 1.81 -0.65 0.52 0.00 0.00 175.17 177.33 3mt5 h PRO 433 N 6.01 0.75 -0.90 4.34 0.11 -1.98 -0.92 132.00 139.41 3mt5 h PRO 433 Ca 0.05 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 66.17 3mt5 h PRO 433 Cb 0.83 -0.17 -0.06 0.00 0.11 0.00 0.00 31.00 31.71 3mt5 h PRO 433 CO 0.72 0.50 0.59 -0.44 -0.21 0.00 0.00 178.00 179.16 3mt5 h ASP 434 N 0.78 0.93 0.28 -2.05 3.32 -1.94 0.54 116.42 118.28 3mt5 h ASP 434 Ca 0.38 -0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.26 3mt5 h ASP 434 Cb 0.33 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3mt5 h ASP 434 CO -0.24 0.61 -0.68 0.00 -1.72 0.00 0.00 179.24 177.22 3mt5 h ALA 435 N 1.50 0.68 -0.27 3.45 0.00 -1.65 -1.78 119.26 121.18 3mt5 h ALA 435 Ca 0.38 -0.58 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 3mt5 h ALA 435 Cb 0.13 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3mt5 h ALA 435 CO -0.13 0.75 -0.33 1.49 0.00 0.00 0.00 179.25 181.03 3mt5 h GLU 436 N 0.26 0.70 -0.59 0.00 4.57 0.01 -2.46 114.58 117.06 3mt5 h GLU 436 Ca -0.02 -0.39 -0.07 0.00 -1.18 0.00 0.00 59.36 57.70 3mt5 h GLU 436 Cb 1.23 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.82 3mt5 h GLU 436 CO 0.11 1.01 0.08 -0.44 -1.18 0.00 0.00 179.01 178.60 3mt5 h ASP 437 N 0.43 0.92 -0.70 1.04 3.32 0.00 -2.73 116.42 118.71 3mt5 h ASP 437 Ca 0.04 -0.21 -0.05 0.00 0.02 0.00 0.00 57.03 56.82 3mt5 h ASP 437 Cb 0.91 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.19 3mt5 h ASP 437 CO 0.08 0.93 0.24 0.00 -1.72 0.00 0.00 179.24 178.77 3mt5 h ALA 438 N 1.17 1.06 -0.24 3.45 0.00 -1.23 -1.97 119.26 121.51 3mt5 h ALA 438 Ca 0.18 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3mt5 h ALA 438 Cb 0.41 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3mt5 h ALA 438 CO 0.01 0.64 -0.27 0.66 0.00 0.00 0.00 179.25 180.30 3mt5 h SER 439 N 1.06 0.46 0.28 0.00 4.64 -1.15 -0.43 113.55 118.41 3mt5 h SER 439 Ca 0.23 -0.16 -0.19 0.00 -0.47 0.00 0.00 61.79 61.20 3mt5 h SER 439 Cb 0.28 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3mt5 h SER 439 CO -0.01 0.72 -0.78 0.78 -0.87 0.00 0.00 176.83 176.67 3mt5 h ASN 440 N 0.40 0.49 -0.88 4.97 2.35 -1.23 -0.82 115.58 120.87 3mt5 h ASN 440 Ca 0.06 -0.34 0.02 0.00 -0.55 0.00 0.00 56.30 55.49 3mt5 h ASN 440 Cb 0.68 -0.15 -0.05 0.00 0.05 0.00 0.00 38.32 38.85 3mt5 h ASN 440 CO 0.05 1.10 0.57 0.40 -1.65 0.00 0.00 177.43 177.90 3mt5 h ILE 441 N 0.26 1.18 -0.38 2.81 2.04 -0.89 0.12 117.51 122.66 3mt5 h ILE 441 Ca -0.04 -0.39 0.01 0.00 1.00 0.00 0.00 64.86 65.44 3mt5 h ILE 441 Cb 1.37 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 3mt5 h ILE 441 CO 0.13 0.21 0.24 -0.03 0.00 0.00 0.00 178.15 178.70 3mt5 h MET 442 N 1.14 0.47 0.01 2.37 4.05 -0.88 -0.16 114.93 121.94 3mt5 h MET 442 Ca 0.34 -0.03 0.03 0.00 -0.28 0.00 0.00 59.70 59.76 3mt5 h MET 442 Cb -0.06 -0.11 -0.05 0.00 -0.80 0.00 0.00 31.60 30.58 3mt5 h MET 442 CO -0.09 0.31 -0.38 0.00 0.23 0.00 0.00 176.91 176.98 3mt5 h ARG 443 N 0.48 -0.52 -0.64 0.39 3.08 -0.09 -0.28 114.38 116.82 3mt5 h ARG 443 Ca 0.15 0.04 0.12 0.00 0.07 0.00 0.00 59.98 60.35 3mt5 h ARG 443 Cb -0.03 0.12 -0.12 0.00 0.08 0.00 0.00 29.97 30.02 3mt5 h ARG 443 CO -0.05 -0.34 -0.23 0.28 -1.07 0.00 0.00 179.97 178.56 3mt5 h VAL 444 N -0.54 0.27 0.47 2.04 2.07 -0.47 -0.70 116.25 119.39 3mt5 h VAL 444 Ca 0.05 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 3mt5 h VAL 444 Cb 0.62 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3mt5 h VAL 444 CO -0.29 0.00 -0.33 0.40 0.02 0.00 0.00 177.57 177.37 3mt5 h ILE 445 N -0.06 0.32 -0.52 4.57 2.04 0.02 0.26 117.51 124.13 3mt5 h ILE 445 Ca 0.29 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.25 3mt5 h ILE 445 Cb 0.52 0.32 -0.10 0.00 -0.74 0.00 0.00 36.82 36.82 3mt5 h ILE 445 CO -0.68 0.00 -0.18 -1.28 0.00 0.00 0.00 178.15 176.00 3mt5 h SER 446 N -0.78 -0.65 -0.55 1.72 0.87 -0.64 0.30 113.55 113.82 3mt5 h SER 446 Ca -0.05 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 3mt5 h SER 446 Cb 0.65 0.38 -0.03 0.00 -0.44 0.00 0.00 62.40 62.97 3mt5 h SER 446 CO 0.03 -0.22 0.35 0.40 -0.53 0.00 0.00 176.83 176.86 3mt5 h ILE 447 N -0.06 1.15 -0.02 2.23 2.04 -0.72 -1.78 117.51 120.34 3mt5 h ILE 447 Ca 0.25 -0.31 -0.13 0.00 1.00 0.00 0.00 64.86 65.67 3mt5 h ILE 447 Cb 0.44 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 3mt5 h ILE 447 CO -0.57 0.15 -0.61 0.11 0.00 0.00 0.00 178.15 177.24 3mt5 h LYS 448 N 0.75 0.09 -0.57 2.37 1.79 0.42 -2.65 116.57 118.78 3mt5 h LYS 448 Ca 0.20 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.58 3mt5 h LYS 448 Cb -0.06 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.58 3mt5 h LYS 448 CO -0.04 0.67 0.23 -0.91 -1.08 0.00 0.00 179.45 178.32 3mt5 h ASN 449 N 0.07 0.78 0.05 0.86 2.35 0.03 -1.19 115.58 118.52 3mt5 h ASN 449 Ca -0.01 -0.17 0.02 0.00 -0.55 0.00 0.00 56.30 55.59 3mt5 h ASN 449 Cb 1.09 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 39.24 3mt5 h ASN 449 CO 0.08 0.73 -0.14 0.22 -1.65 0.00 0.00 177.43 176.68 3mt5 h TYR 450 N 0.77 -0.35 -1.65 1.19 3.20 -1.26 -3.42 116.97 115.46 3mt5 h TYR 450 Ca 0.19 0.01 -0.24 0.00 3.14 0.00 0.00 58.73 61.83 3mt5 h TYR 450 Cb 0.19 0.15 -0.27 0.00 1.54 0.00 0.00 36.73 38.34 3mt5 h TYR 450 CO 0.01 -0.20 -0.58 -1.58 -1.64 0.00 0.00 178.16 174.16 3mt5 s HIS 451 N -6.14 -0.87 -0.88 -3.82 5.04 -1.01 -5.05 115.29 102.56 3mt5 s HIS 451 Ca -0.14 -0.18 0.00 0.00 -1.54 0.00 0.00 55.06 53.20 3mt5 s HIS 451 Cb 0.08 -0.16 0.00 0.00 0.04 0.00 0.00 32.58 32.54 3mt5 s HIS 451 CO 0.66 -1.02 0.30 -2.30 -2.34 0.00 0.00 174.74 170.03 3mt5 n PRO 452 N 4.68 0.53 0.00 2.88 -0.02 -0.47 -2.80 135.00 139.80 3mt5 n PRO 452 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 3mt5 n PRO 452 Cb 0.49 -1.26 0.00 0.00 -0.02 0.00 0.00 33.50 32.71 3mt5 n PRO 452 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3mt5 n LYS 453 N 0.30 2.33 -1.53 -0.52 4.81 -1.26 -4.91 118.16 117.37 3mt5 n LYS 453 Ca 0.00 -0.06 -0.39 0.00 -0.87 0.00 0.00 58.31 56.99 3mt5 n LYS 453 Cb 0.15 -0.36 0.03 0.00 0.02 0.00 0.00 35.03 34.87 3mt5 n LYS 453 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 3mt5 n ILE 454 N -0.35 2.51 -3.23 3.15 0.13 -1.12 -4.96 119.36 115.49 3mt5 n ILE 454 Ca 0.00 -0.50 -0.39 0.00 -1.10 0.00 0.00 62.75 60.76 3mt5 n ILE 454 Cb 0.03 -0.87 -0.06 0.00 -0.84 0.00 0.00 39.64 37.91 3mt5 n ILE 454 CO 0.00 0.00 0.00 -0.60 2.80 0.00 0.00 176.55 178.75 3mt5 s ARG 455 N -2.11 4.29 -0.21 9.51 3.52 -1.26 -4.97 118.95 127.73 3mt5 s ARG 455 Ca 0.68 0.52 -0.03 0.00 -0.13 0.00 0.00 55.73 56.77 3mt5 s ARG 455 Cb -0.50 -3.49 -0.01 0.00 -1.56 0.00 0.00 34.95 29.39 3mt5 s ARG 455 CO 0.54 0.00 -0.07 0.42 -0.81 0.00 0.00 175.30 175.39 3mt5 s ILE 456 N 1.11 3.23 -0.20 4.11 1.01 -1.26 -0.73 121.20 128.47 3mt5 s ILE 456 Ca 0.27 -0.55 -0.09 0.00 0.00 0.00 0.00 60.65 60.29 3mt5 s ILE 456 Cb -0.16 -2.45 -0.05 0.00 0.01 0.00 0.00 42.46 39.82 3mt5 s ILE 456 CO 0.11 0.44 0.11 -0.63 0.00 0.00 0.00 174.94 174.97 3mt5 s ILE 457 N 1.34 5.16 0.05 2.92 -1.09 -0.95 -1.29 121.20 127.34 3mt5 s ILE 457 Ca 0.04 0.10 -0.01 0.00 -2.23 0.00 0.00 60.65 58.55 3mt5 s ILE 457 Cb -0.14 -3.35 -0.04 0.00 -1.58 0.00 0.00 42.46 37.35 3mt5 s ILE 457 CO -0.03 0.44 -0.03 0.28 -1.23 0.00 0.00 174.94 174.36 3mt5 s THR 458 N 0.45 0.23 -0.01 2.92 -1.32 -0.58 -0.54 115.64 116.80 3mt5 s THR 458 Ca 0.06 -1.81 -0.04 0.00 -1.21 0.00 0.00 61.69 58.69 3mt5 s THR 458 Cb -0.12 -1.52 -0.04 0.00 -1.51 0.00 0.00 72.50 69.31 3mt5 s THR 458 CO -0.00 -0.99 0.22 -1.10 -2.21 0.00 0.00 174.62 170.53 3mt5 s GLN 459 N -3.91 3.50 0.04 7.08 -0.21 -1.19 -0.55 119.66 124.42 3mt5 s GLN 459 Ca 0.07 -0.21 0.07 0.00 0.02 0.00 0.00 55.36 55.32 3mt5 s GLN 459 Cb 0.08 -3.09 -0.02 0.00 1.00 0.00 0.00 33.01 30.98 3mt5 s GLN 459 CO -0.10 0.67 -0.22 -1.64 -2.12 0.00 0.00 175.29 171.88 3mt5 s MET 460 N -1.84 1.49 0.09 2.91 -1.94 -0.27 -4.71 119.30 115.03 3mt5 s MET 460 Ca 0.27 -0.94 -0.11 0.00 -1.71 0.00 0.00 55.69 53.20 3mt5 s MET 460 Cb -0.13 -1.59 -0.21 0.00 2.01 0.00 0.00 34.83 34.91 3mt5 s MET 460 CO 0.17 0.41 1.20 -0.07 -0.01 0.00 0.00 175.02 176.72 3mt5 h LEU 461 N 4.95 0.79 -8.08 -0.03 4.07 -1.89 0.45 115.31 115.57 3mt5 h LEU 461 Ca -0.43 -0.66 -0.50 0.00 0.08 0.00 0.00 57.88 56.38 3mt5 h LEU 461 Cb 1.15 -0.24 -0.31 0.00 1.08 0.00 0.00 40.66 42.34 3mt5 h LEU 461 CO 0.44 1.46 -0.81 -1.10 -1.08 0.00 0.00 178.44 177.35 3mt5 s GLN 462 N -3.21 1.41 0.41 1.13 -1.52 -1.26 -2.35 119.66 114.28 3mt5 s GLN 462 Ca -0.08 -0.45 0.08 0.00 -1.95 0.00 0.00 55.36 52.96 3mt5 s GLN 462 Cb 0.07 -1.25 0.89 0.00 -0.22 0.00 0.00 33.01 32.50 3mt5 s GLN 462 CO 0.91 0.16 2.04 -0.92 -0.25 0.00 0.00 175.29 177.22 3mt5 h TYR 463 N 6.41 0.51 0.00 0.91 3.20 -1.96 -0.99 116.97 125.06 3mt5 h TYR 463 Ca -0.33 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.54 3mt5 h TYR 463 Cb 1.17 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 39.27 3mt5 h TYR 463 CO 0.45 0.30 -0.07 1.12 -1.64 0.00 0.00 178.16 178.31 3mt5 h HIS 464 N 0.53 0.00 0.00 -3.82 2.07 -1.98 -2.30 115.15 109.65 3mt5 h HIS 464 Ca 0.18 0.00 -0.18 0.00 -2.85 0.00 0.00 60.37 57.52 3mt5 h HIS 464 Cb 0.08 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.03 3mt5 h HIS 464 CO -0.00 0.07 -1.03 -0.91 -3.07 0.00 0.00 177.93 173.00 3mt5 h ASN 465 N 0.00 0.00 -0.82 3.10 2.35 -1.61 -3.31 115.58 115.29 3mt5 h ASN 465 Ca -0.00 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.84 3mt5 h ASN 465 Cb 0.52 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.82 3mt5 h ASN 465 CO 0.01 0.78 0.47 0.50 -1.65 0.00 0.00 177.43 177.54 3mt5 h LYS 466 N 0.00 0.78 -0.88 0.81 3.64 -1.25 -2.04 116.57 117.63 3mt5 h LYS 466 Ca -0.08 -0.05 0.15 0.00 -1.27 0.00 0.00 60.65 59.41 3mt5 h LYS 466 Cb 1.66 -0.18 -0.07 0.00 -0.41 0.00 0.00 32.23 33.24 3mt5 h LYS 466 CO 0.09 0.51 0.57 0.00 -2.27 0.00 0.00 179.45 178.35 3mt5 h ALA 467 N 1.44 1.90 0.00 5.00 0.00 -1.65 -2.12 119.26 123.84 3mt5 h ALA 467 Ca 0.39 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 3mt5 h ALA 467 Cb 0.33 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3mt5 h ALA 467 CO -0.24 -0.15 -0.03 0.45 0.00 0.00 0.00 179.25 179.29 3mt5 h HIS 468 N 0.63 0.00 0.00 0.00 3.86 -1.55 -0.85 115.15 117.24 3mt5 h HIS 468 Ca 0.45 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.66 3mt5 h HIS 468 Cb 0.80 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.27 3mt5 h HIS 468 CO -0.00 0.03 0.00 -0.07 0.86 0.00 0.00 177.93 178.74 3mt5 h LEU 469 N 0.00 0.00 -0.03 2.43 3.38 -1.52 -1.82 115.31 117.75 3mt5 h LEU 469 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mt5 h LEU 469 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3mt5 h LEU 469 CO 0.00 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.71 3mt5 n LEU 470 N -2.43 0.61 0.17 1.67 4.32 -0.32 -2.57 117.00 118.44 3mt5 n LEU 470 Ca -0.00 0.56 0.06 0.00 -0.02 0.00 0.00 56.01 56.61 3mt5 n LEU 470 Cb 0.14 -0.38 0.10 0.00 -1.62 0.00 0.00 43.42 41.67 3mt5 n LEU 470 CO 0.16 -0.16 0.59 0.78 -1.22 0.00 0.00 177.39 177.55 3mt5 h ASN 471 N 0.00 0.00 -2.92 -1.43 2.35 -1.50 -3.44 115.58 108.64 3mt5 h ASN 471 Ca 0.00 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.18 3mt5 h ASN 471 Cb 0.66 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.99 3mt5 h ASN 471 CO 0.00 0.35 1.11 -0.63 -1.65 0.00 0.00 177.43 176.61 3mt5 s ILE 472 N -3.09 3.79 0.38 2.81 1.01 -1.06 -4.90 121.20 120.14 3mt5 s ILE 472 Ca 0.04 0.86 0.07 0.00 0.00 0.00 0.00 60.65 61.62 3mt5 s ILE 472 Cb 0.07 -3.88 0.29 0.00 0.01 0.00 0.00 42.46 38.95 3mt5 s ILE 472 CO 0.72 -0.43 2.00 1.55 0.00 0.00 0.00 174.94 178.77 3mt5 h PRO 473 N 10.78 0.65 -0.20 2.79 0.13 -1.87 -1.69 132.00 142.58 3mt5 h PRO 473 Ca -0.31 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3mt5 h PRO 473 Cb 1.14 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.12 3mt5 h PRO 473 CO 1.03 0.43 0.00 -1.13 -0.23 0.00 0.00 178.00 178.10 3mt5 n SER 474 N -4.47 1.91 -4.64 1.44 3.41 -1.26 -4.83 113.62 105.18 3mt5 n SER 474 Ca 0.08 -1.76 -0.42 0.00 -0.26 0.00 0.00 58.87 56.51 3mt5 n SER 474 Cb 0.18 -0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 63.96 3mt5 n SER 474 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 3mt5 s TRP 475 N -1.74 3.28 -0.30 7.33 -0.11 -0.64 -4.90 118.94 121.87 3mt5 s TRP 475 Ca 0.33 1.10 0.00 0.00 1.22 0.00 0.00 56.10 58.75 3mt5 s TRP 475 Cb 0.18 -3.13 0.09 0.00 -1.50 0.00 0.00 33.47 29.11 3mt5 s TRP 475 CO 0.26 -0.45 0.06 1.21 -4.62 0.00 0.00 176.95 173.41 3mt5 s ASN 476 N 1.40 4.10 0.18 5.86 2.47 -1.26 -4.96 114.94 122.73 3mt5 s ASN 476 Ca 0.35 -1.64 -0.13 0.00 0.42 0.00 0.00 52.86 51.86 3mt5 s ASN 476 Cb -0.15 -1.06 0.18 0.00 -1.45 0.00 0.00 41.25 38.76 3mt5 s ASN 476 CO 0.09 -0.38 1.72 4.11 -3.72 0.00 0.00 177.10 178.92 3mt5 h TRP 477 N 7.97 0.16 -0.66 0.43 -0.00 -1.95 -1.75 115.95 120.15 3mt5 h TRP 477 Ca -0.12 0.03 0.09 0.00 -0.00 0.00 0.00 58.89 58.88 3mt5 h TRP 477 Cb 1.03 0.00 -0.07 0.00 -0.00 0.00 0.00 29.16 30.13 3mt5 h TRP 477 CO 0.40 -0.00 0.31 0.87 -0.00 0.00 0.00 178.44 180.02 3mt5 h LYS 478 N 0.23 0.53 -0.26 0.12 1.79 -1.93 -0.91 116.57 116.14 3mt5 h LYS 478 Ca 0.24 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 3mt5 h LYS 478 Cb 0.31 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 3mt5 h LYS 478 CO -0.31 0.35 0.00 0.39 -1.08 0.00 0.00 179.45 178.80 3mt5 n GLU 479 N -4.90 1.70 0.00 3.15 1.02 -1.06 -4.92 120.64 115.63 3mt5 n GLU 479 Ca 0.10 -1.08 0.00 0.00 -0.02 0.00 0.00 57.16 56.16 3mt5 n GLU 479 Cb 0.25 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 3mt5 n GLU 479 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mt5 n GLY 480 N 1.03 1.10 3.73 0.62 0.00 -0.34 -5.03 105.19 106.29 3mt5 n GLY 480 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3mt5 n GLY 480 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mt5 s ASP 481 N -2.01 6.97 0.02 1.61 -0.00 -0.70 -4.70 116.67 117.86 3mt5 s ASP 481 Ca 0.00 2.25 0.05 0.00 -0.00 0.00 0.00 52.55 54.85 3mt5 s ASP 481 Cb 0.00 -2.60 -0.02 0.00 -0.00 0.00 0.00 42.92 40.31 3mt5 s ASP 481 CO 0.00 -0.51 -0.14 -1.81 -0.00 0.00 0.00 175.17 172.71 3mt5 s ASP 482 N 0.64 1.64 -0.19 0.27 1.01 -0.41 -4.10 116.67 115.53 3mt5 s ASP 482 Ca 0.58 -0.38 0.01 0.00 0.71 0.00 0.00 52.55 53.47 3mt5 s ASP 482 Cb -0.34 -0.13 0.03 0.00 1.01 0.00 0.00 42.92 43.48 3mt5 s ASP 482 CO 0.34 0.08 -0.19 0.00 0.21 0.00 0.00 175.17 175.61 3mt5 s ALA 483 N -0.66 2.37 -0.45 5.23 0.00 -1.26 -1.53 121.76 125.45 3mt5 s ALA 483 Ca 0.03 -1.29 -0.21 0.00 0.00 0.00 0.00 51.96 50.49 3mt5 s ALA 483 Cb -0.07 -1.24 0.03 0.00 0.00 0.00 0.00 23.12 21.84 3mt5 s ALA 483 CO 0.01 -0.46 0.67 0.42 0.00 0.00 0.00 175.76 176.39 3mt5 s ILE 484 N 1.27 4.79 -0.25 0.00 1.01 0.29 -4.91 121.20 123.40 3mt5 s ILE 484 Ca 0.03 0.10 -0.21 0.00 0.00 0.00 0.00 60.65 60.57 3mt5 s ILE 484 Cb -0.14 -4.24 -0.02 0.00 0.01 0.00 0.00 42.46 38.07 3mt5 s ILE 484 CO -0.12 -0.65 0.66 0.00 0.00 0.00 0.00 174.94 174.83 3mt5 h LEU 486 N 8.88 0.92 -0.12 0.00 3.38 -0.25 -2.75 115.31 125.37 3mt5 h LEU 486 Ca -0.27 -0.57 -0.13 0.00 0.09 0.00 0.00 57.88 57.01 3mt5 h LEU 486 Cb 1.12 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3mt5 h LEU 486 CO 0.79 1.32 -0.43 0.00 0.09 0.00 0.00 178.44 180.21 3mt5 h ALA 487 N 0.62 0.22 -0.58 1.53 0.00 -1.67 0.26 119.26 119.64 3mt5 h ALA 487 Ca -0.01 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 3mt5 h ALA 487 Cb 1.21 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 3mt5 h ALA 487 CO 0.13 0.35 0.16 1.05 0.00 0.00 0.00 179.25 180.93 3mt5 h GLU 488 N 0.12 0.89 0.21 0.00 4.11 -1.84 -2.20 114.58 115.86 3mt5 h GLU 488 Ca -0.02 -0.18 -0.31 0.00 0.07 0.00 0.00 59.36 58.92 3mt5 h GLU 488 Cb 1.06 -0.14 0.03 0.00 0.50 0.00 0.00 28.75 30.20 3mt5 h GLU 488 CO 0.09 0.78 -1.43 -0.07 0.07 0.00 0.00 179.01 178.45 3mt5 h LEU 489 N 0.86 0.71 0.14 3.06 3.38 -1.48 -1.08 115.31 120.89 3mt5 h LEU 489 Ca 0.19 -0.93 0.01 0.00 0.09 0.00 0.00 57.88 57.25 3mt5 h LEU 489 Cb 0.28 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 3mt5 h LEU 489 CO -0.00 1.67 -0.53 0.50 0.09 0.00 0.00 178.44 180.17 3mt5 h LYS 490 N 0.02 -0.74 0.00 1.13 3.64 -0.87 -0.27 116.57 119.49 3mt5 h LYS 490 Ca -0.26 0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.15 3mt5 h LYS 490 Cb 2.04 0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 34.03 3mt5 h LYS 490 CO 0.22 -0.49 -0.10 -0.07 -2.27 0.00 0.00 179.45 176.74 3mt5 h LEU 491 N -0.77 0.00 -0.11 5.20 3.38 -1.51 -2.38 115.31 119.12 3mt5 h LEU 491 Ca -0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3mt5 h LEU 491 Cb 0.77 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 3mt5 h LEU 491 CO -0.28 0.10 -0.12 1.23 0.09 0.00 0.00 178.44 179.45 3mt5 h GLY 492 N 2.78 0.30 0.27 0.83 0.00 -0.97 0.17 103.07 106.44 3mt5 h GLY 492 Ca -0.00 -0.31 0.06 0.00 0.00 0.00 0.00 47.33 47.07 3mt5 h GLY 492 CO 0.01 0.28 -0.18 0.74 0.00 0.00 0.00 176.54 177.40 3mt5 h PHE 493 N -0.14 -0.45 -0.59 5.60 0.05 -0.85 -1.50 116.94 119.06 3mt5 h PHE 493 Ca 0.02 0.03 -0.03 0.00 3.82 0.00 0.00 57.97 61.81 3mt5 h PHE 493 Cb 0.66 0.24 -0.03 0.00 2.00 0.00 0.00 35.95 38.82 3mt5 h PHE 493 CO 0.09 -0.25 0.25 0.82 -0.18 0.00 0.00 178.31 179.04 3mt5 h ILE 494 N -0.17 1.22 -0.47 -0.55 2.04 -1.33 -2.08 117.51 116.18 3mt5 h ILE 494 Ca 0.14 -0.68 0.04 0.00 1.00 0.00 0.00 64.86 65.36 3mt5 h ILE 494 Cb 0.37 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 3mt5 h ILE 494 CO -0.34 0.27 0.22 0.00 0.00 0.00 0.00 178.15 178.30 3mt5 h ALA 495 N 1.09 0.59 -0.18 1.87 0.00 -0.37 -1.62 119.26 120.64 3mt5 h ALA 495 Ca 0.20 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 3mt5 h ALA 495 Cb 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3mt5 h ALA 495 CO -0.02 -0.14 -0.03 1.96 0.00 0.00 0.00 179.25 181.03 3mt5 h GLN 496 N 0.44 0.27 0.00 0.00 1.08 -0.89 -1.05 115.11 114.96 3mt5 h GLN 496 Ca 0.21 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.35 3mt5 h GLN 496 Cb 0.13 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.52 3mt5 h GLN 496 CO -0.16 0.31 -0.05 0.77 -0.95 0.00 0.00 178.83 178.76 3mt5 h SER 497 N 0.26 0.00 0.65 1.46 0.02 -0.62 -0.04 113.55 115.29 3mt5 h SER 497 Ca 0.06 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.93 3mt5 h SER 497 Cb 0.22 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 3mt5 h SER 497 CO 0.01 0.05 -0.38 0.00 -1.14 0.00 0.00 176.83 175.36 3mt5 h LEU 499 N 0.00 0.14 -6.42 0.00 3.38 -1.19 -3.44 115.31 107.77 3mt5 h LEU 499 Ca -0.00 -0.20 -0.29 0.00 0.09 0.00 0.00 57.88 57.48 3mt5 h LEU 499 Cb 0.81 -0.04 -0.31 0.00 0.09 0.00 0.00 40.66 41.20 3mt5 h LEU 499 CO 0.05 1.17 -0.61 0.00 0.09 0.00 0.00 178.44 179.14 3mt5 s ALA 500 N -2.64 -0.70 0.35 1.53 0.00 -0.16 -3.90 121.76 116.24 3mt5 s ALA 500 Ca -0.05 -0.24 -0.27 0.00 0.00 0.00 0.00 51.96 51.40 3mt5 s ALA 500 Cb 0.08 -1.93 -0.12 0.00 0.00 0.00 0.00 23.12 21.15 3mt5 s ALA 500 CO 0.83 -1.79 1.21 0.94 0.00 0.00 0.00 175.76 176.95 3mt5 n GLN 501 N 5.17 1.89 0.00 0.00 7.27 -0.41 -1.79 117.38 129.52 3mt5 n GLN 501 Ca 0.01 0.66 0.00 0.00 0.07 0.00 0.00 57.00 57.74 3mt5 n GLN 501 Cb 0.47 -2.22 0.00 0.00 2.41 0.00 0.00 30.24 30.90 3mt5 n GLN 501 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3mt5 n GLY 502 N 0.89 3.27 0.32 1.69 0.00 -1.26 -4.90 105.19 105.19 3mt5 n GLY 502 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.17 3mt5 n GLY 502 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3mt5 h LEU 503 N 0.00 0.57 -0.77 0.99 7.12 -1.67 -0.75 115.31 120.80 3mt5 h LEU 503 Ca 0.00 0.10 0.03 0.00 0.13 0.00 0.00 57.88 58.14 3mt5 h LEU 503 Cb 0.00 0.01 -0.05 0.00 -0.53 0.00 0.00 40.66 40.09 3mt5 h LEU 503 CO 0.00 0.21 0.49 0.77 -0.13 0.00 0.00 178.44 179.78 3mt5 h SER 504 N 0.64 0.80 1.46 1.25 4.64 -1.82 -1.26 113.55 119.25 3mt5 h SER 504 Ca 0.50 -0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.74 3mt5 h SER 504 Cb 0.75 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 3mt5 h SER 504 CO -0.38 0.55 -0.56 0.71 -0.87 0.00 0.00 176.83 176.27 3mt5 h THR 505 N 0.94 0.52 -0.11 2.95 1.35 -1.51 -2.29 112.91 114.76 3mt5 h THR 505 Ca 0.31 -1.78 -0.01 0.00 -0.55 0.00 0.00 66.41 64.38 3mt5 h THR 505 Cb 0.03 2.18 -0.00 0.00 -1.73 0.00 0.00 68.15 68.62 3mt5 h THR 505 CO -0.12 0.30 0.02 -0.03 -0.25 0.00 0.00 175.52 175.44 3mt5 h MET 506 N 0.00 0.18 -0.46 4.72 1.85 -0.67 -2.54 114.93 118.01 3mt5 h MET 506 Ca -0.03 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.02 3mt5 h MET 506 Cb 1.28 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 33.27 3mt5 h MET 506 CO 0.04 0.38 0.30 -0.07 -0.40 0.00 0.00 176.91 177.16 3mt5 h LEU 507 N -0.04 0.54 -1.53 3.39 4.07 -1.25 -2.96 115.31 117.53 3mt5 h LEU 507 Ca 0.03 -0.03 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 3mt5 h LEU 507 Cb 0.29 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 41.87 3mt5 h LEU 507 CO 0.00 0.41 0.25 0.00 -1.08 0.00 0.00 178.44 178.02 3mt5 h ALA 508 N 1.15 1.65 -0.00 1.53 0.00 -1.31 -1.28 119.26 121.00 3mt5 h ALA 508 Ca 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3mt5 h ALA 508 Cb -0.05 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3mt5 h ALA 508 CO -0.03 0.31 -0.04 0.09 0.00 0.00 0.00 179.25 179.57 3mt5 n ASN 509 N -4.45 0.08 0.05 0.00 3.02 -0.97 -1.56 115.26 111.44 3mt5 n ASN 509 Ca 0.03 0.10 0.12 0.00 -0.03 0.00 0.00 54.58 54.80 3mt5 n ASN 509 Cb 0.08 -0.33 0.28 0.00 -0.61 0.00 0.00 39.78 39.21 3mt5 n ASN 509 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3mt5 n LEU 510 N -1.36 0.60 0.00 3.41 4.77 -0.48 -4.07 117.00 119.87 3mt5 n LEU 510 Ca 0.10 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 3mt5 n LEU 510 Cb 0.30 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3mt5 n LEU 510 CO 0.26 -0.04 0.06 2.22 -1.33 0.00 0.00 177.39 178.56 3mt5 n PHE 511 N -1.96 0.00 -2.89 -1.77 1.16 -1.20 -2.13 117.46 108.68 3mt5 n PHE 511 Ca 0.05 0.00 -0.40 0.00 -1.87 0.00 0.00 57.45 55.22 3mt5 n PHE 511 Cb 0.41 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.22 3mt5 n PHE 511 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 3mt5 s SER 512 N -0.15 7.38 -0.28 5.98 1.04 -0.60 -4.68 113.70 122.39 3mt5 s SER 512 Ca 0.00 1.65 -0.03 0.00 0.48 0.00 0.00 55.95 58.05 3mt5 s SER 512 Cb 0.00 -2.53 0.03 0.00 0.10 0.00 0.00 66.02 63.63 3mt5 s SER 512 CO 0.00 0.06 -0.00 -0.04 0.98 0.00 0.00 173.24 174.23 3mt5 s MET 513 N -0.43 2.70 0.30 4.02 -1.94 -1.26 -4.83 119.30 117.85 3mt5 s MET 513 Ca 0.40 -1.09 0.03 0.00 -1.71 0.00 0.00 55.69 53.32 3mt5 s MET 513 Cb -0.23 -3.15 -0.04 0.00 2.01 0.00 0.00 34.83 33.42 3mt5 s MET 513 CO 0.27 -0.51 0.14 1.03 -0.01 0.00 0.00 175.02 175.93 3mt5 s ARG 514 N 1.33 1.58 -0.31 2.03 3.00 -1.26 -4.85 118.95 120.47 3mt5 s ARG 514 Ca -0.02 -1.90 -0.10 0.00 0.00 0.00 0.00 55.73 53.71 3mt5 s ARG 514 Cb -0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 34.95 34.54 3mt5 s ARG 514 CO -0.02 -0.41 0.17 -1.12 0.00 0.00 0.00 175.30 173.93 3mt5 s SER 515 N -3.38 5.69 0.12 0.23 0.01 -1.26 -5.02 113.70 110.08 3mt5 s SER 515 Ca 0.35 -0.44 -0.26 0.00 1.31 0.00 0.00 55.95 56.91 3mt5 s SER 515 Cb 0.06 -2.04 -0.15 0.00 0.21 0.00 0.00 66.02 64.10 3mt5 s SER 515 CO 0.16 -0.18 0.57 0.33 0.41 0.00 0.00 173.24 174.53 3mt5 n PHE 516 N 5.02 -0.12 0.75 2.43 -0.00 -1.26 -4.91 117.46 119.37 3mt5 n PHE 516 Ca -0.14 0.83 0.12 0.00 -0.00 0.00 0.00 57.45 58.26 3mt5 n PHE 516 Cb 0.50 -1.65 0.21 0.00 -0.00 0.00 0.00 39.48 38.53 3mt5 n PHE 516 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.76 175.87 3mt5 n ILE 517 N 0.37 0.19 -3.56 -2.13 2.08 -1.26 -4.97 119.36 110.08 3mt5 n ILE 517 Ca 0.15 -0.16 -0.20 0.00 0.56 0.00 0.00 62.75 63.11 3mt5 n ILE 517 Cb 0.16 0.02 0.07 0.00 -0.75 0.00 0.00 39.64 39.14 3mt5 n ILE 517 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 3mt5 n LYS 518 N -1.84 -6.30 -2.35 0.38 3.00 -1.26 -4.95 118.16 104.84 3mt5 n LYS 518 Ca 0.04 0.77 -0.42 0.00 -0.00 0.00 0.00 58.31 58.70 3mt5 n LYS 518 Cb 0.39 -5.66 -0.03 0.00 0.00 0.00 0.00 35.03 29.73 3mt5 n LYS 518 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 3mt5 s ILE 519 N -3.43 3.81 -0.06 3.15 2.07 -1.26 -4.94 121.20 120.53 3mt5 s ILE 519 Ca 0.13 1.30 0.13 0.00 -1.41 0.00 0.00 60.65 60.80 3mt5 s ILE 519 Cb -0.06 -3.83 -0.19 0.00 0.13 0.00 0.00 42.46 38.50 3mt5 s ILE 519 CO 0.76 0.11 0.20 -1.84 -1.91 0.00 0.00 174.94 172.25 3mt5 n GLU 520 N 3.88 1.03 -1.59 3.50 0.28 -1.26 -4.92 120.64 121.56 3mt5 n GLU 520 Ca 0.09 -0.08 -0.34 0.00 -0.16 0.00 0.00 57.16 56.68 3mt5 n GLU 520 Cb 0.45 -1.33 0.07 0.00 1.43 0.00 0.00 31.44 32.06 3mt5 n GLU 520 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 3mt5 s GLU 521 N -2.70 2.44 -1.35 3.44 8.01 -1.26 -4.93 118.70 122.36 3mt5 s GLU 521 Ca -0.06 1.61 -0.07 0.00 0.01 0.00 0.00 54.97 56.46 3mt5 s GLU 521 Cb 0.07 -1.89 0.11 0.00 -4.31 0.00 0.00 34.13 28.11 3mt5 s GLU 521 CO 0.56 -1.57 2.31 -0.25 0.01 0.00 0.00 175.26 176.32 3mt5 n ASP 522 N -2.54 7.20 -4.85 -0.19 8.00 -1.26 -4.71 116.55 118.20 3mt5 n ASP 522 Ca 0.12 -3.06 -0.21 0.00 0.71 0.00 0.00 54.79 52.35 3mt5 n ASP 522 Cb 0.51 -1.42 -0.04 0.00 -0.02 0.00 0.00 41.12 40.15 3mt5 n ASP 522 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3mt5 s THR 523 N -0.23 3.75 0.25 -3.53 -1.32 -1.26 -5.03 115.64 108.27 3mt5 s THR 523 Ca 0.52 -1.36 -0.04 0.00 -1.21 0.00 0.00 61.69 59.60 3mt5 s THR 523 Cb 0.16 -3.24 0.22 0.00 -1.51 0.00 0.00 72.50 68.13 3mt5 s THR 523 CO -0.06 -0.21 1.80 4.11 -2.21 0.00 0.00 174.62 178.04 3mt5 h TRP 524 N 1.29 0.83 -1.18 9.09 5.08 -1.92 -1.12 115.95 128.02 3mt5 h TRP 524 Ca -0.46 0.03 0.34 0.00 1.08 0.00 0.00 58.89 59.88 3mt5 h TRP 524 Cb 1.25 -0.25 -0.06 0.00 -3.00 0.00 0.00 29.16 27.11 3mt5 h TRP 524 CO 0.53 0.31 0.84 1.96 -1.28 0.00 0.00 178.44 180.80 3mt5 h GLN 525 N 0.75 0.05 0.05 0.12 7.50 -1.95 -2.21 115.11 119.42 3mt5 h GLN 525 Ca 0.41 -0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.56 3mt5 h GLN 525 Cb 0.43 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.95 3mt5 h GLN 525 CO -0.27 0.03 -0.03 -0.22 -1.50 0.00 0.00 178.83 176.84 3mt5 h LYS 526 N 0.05 -0.07 0.00 1.46 3.64 -1.48 -1.24 116.57 118.93 3mt5 h LYS 526 Ca 0.58 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.88 3mt5 h LYS 526 Cb 2.19 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 34.02 3mt5 h LYS 526 CO -0.05 0.31 -0.40 1.88 -2.27 0.00 0.00 179.45 178.93 3mt5 h TYR 527 N -0.47 0.00 0.12 1.91 0.05 -1.53 -2.83 116.97 114.22 3mt5 h TYR 527 Ca -0.01 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 3mt5 h TYR 527 Cb 0.42 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.16 3mt5 h TYR 527 CO 0.06 0.40 -0.06 -0.92 -1.05 0.00 0.00 178.16 176.59 3mt5 h TYR 528 N 0.00 -0.15 0.00 4.88 3.20 -1.28 -2.80 116.97 120.82 3mt5 h TYR 528 Ca -0.00 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 3mt5 h TYR 528 Cb 0.94 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 39.25 3mt5 h TYR 528 CO 0.00 0.16 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.55 3mt5 h LEU 529 N -0.46 0.00 0.21 2.82 3.38 -1.15 -0.78 115.31 119.33 3mt5 h LEU 529 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3mt5 h LEU 529 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3mt5 h LEU 529 CO 0.03 0.06 -0.10 -0.33 0.09 0.00 0.00 178.44 178.19 3mt5 h GLU 530 N 0.00 -0.27 -0.92 1.13 5.08 -1.35 -3.07 114.58 115.18 3mt5 h GLU 530 Ca -0.00 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.51 3mt5 h GLU 530 Cb 0.21 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.45 3mt5 h GLU 530 CO 0.01 -0.02 0.59 0.78 -1.00 0.00 0.00 179.01 179.36 3mt5 h GLY 531 N -0.49 1.34 1.24 -3.84 0.00 -0.91 -2.52 103.07 97.89 3mt5 h GLY 531 Ca -0.03 -0.34 0.02 0.00 0.00 0.00 0.00 47.33 46.98 3mt5 h GLY 531 CO 0.05 0.12 0.47 -2.08 0.00 0.00 0.00 176.54 175.10 3mt5 h VAL 532 N 0.79 1.14 -0.03 4.60 2.07 -1.27 -2.64 116.25 120.91 3mt5 h VAL 532 Ca 0.46 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.67 3mt5 h VAL 532 Cb 0.62 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 3mt5 h VAL 532 CO -0.22 0.17 0.05 0.77 0.02 0.00 0.00 177.57 178.35 3mt5 h SER 533 N 0.91 0.00 -3.91 0.57 4.64 -1.37 -3.42 113.55 110.97 3mt5 h SER 533 Ca 0.27 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.06 3mt5 h SER 533 Cb -0.03 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.15 3mt5 h SER 533 CO -0.07 0.00 0.70 0.20 -0.87 0.00 0.00 176.83 176.79 3mt5 s ASN 534 N -5.93 6.57 0.38 4.97 0.01 -0.99 -4.57 114.94 115.37 3mt5 s ASN 534 Ca -0.05 2.84 0.04 0.00 -0.71 0.00 0.00 52.86 54.98 3mt5 s ASN 534 Cb 0.15 -2.66 -0.04 0.00 0.41 0.00 0.00 41.25 39.11 3mt5 s ASN 534 CO 0.53 -0.69 0.11 -1.61 -1.51 0.00 0.00 177.10 173.92 3mt5 s GLU 535 N -1.94 1.82 -0.19 -0.60 2.02 -0.57 -4.38 118.70 114.86 3mt5 s GLU 535 Ca 0.51 -2.08 -0.03 0.00 0.02 0.00 0.00 54.97 53.39 3mt5 s GLU 535 Cb -0.43 -0.65 -0.01 0.00 0.10 0.00 0.00 34.13 33.14 3mt5 s GLU 535 CO 0.57 -0.39 -0.05 1.41 0.02 0.00 0.00 175.26 176.82 3mt5 s MET 536 N -3.78 3.46 0.34 1.61 -2.45 -0.90 -1.74 119.30 115.83 3mt5 s MET 536 Ca 0.28 -0.60 0.07 0.00 -1.25 0.00 0.00 55.69 54.18 3mt5 s MET 536 Cb 0.05 -2.93 -0.07 0.00 1.25 0.00 0.00 34.83 33.13 3mt5 s MET 536 CO 0.15 -0.02 -0.02 0.71 1.05 0.00 0.00 175.02 176.89 3mt5 s TYR 537 N 1.01 2.23 -0.03 4.11 2.02 0.26 -4.97 117.35 121.98 3mt5 s TYR 537 Ca 0.00 -0.70 0.00 0.00 -0.37 0.00 0.00 57.07 56.01 3mt5 s TYR 537 Cb -0.15 -1.41 0.03 0.00 -0.40 0.00 0.00 41.96 40.03 3mt5 s TYR 537 CO 0.00 0.35 -0.00 -0.08 -1.57 0.00 0.00 175.55 174.25 3mt5 s THR 538 N -2.88 0.20 -0.06 -0.71 -1.32 -1.26 -0.81 115.64 108.80 3mt5 s THR 538 Ca 0.33 0.07 -0.10 0.00 -1.21 0.00 0.00 61.69 60.78 3mt5 s THR 538 Cb 0.06 -0.29 0.02 0.00 -1.51 0.00 0.00 72.50 70.78 3mt5 s THR 538 CO 0.16 0.15 0.24 -0.70 -2.21 0.00 0.00 174.62 172.26 3mt5 s GLU 539 N 0.99 0.41 0.60 7.08 2.56 -0.75 -4.99 118.70 124.59 3mt5 s GLU 539 Ca -0.10 0.09 -0.17 0.00 0.00 0.00 0.00 54.97 54.79 3mt5 s GLU 539 Cb -0.14 0.19 -0.03 0.00 2.00 0.00 0.00 34.13 36.15 3mt5 s GLU 539 CO -0.02 -0.08 1.11 0.71 -0.56 0.00 0.00 175.26 176.43 3mt5 s TYR 540 N -0.46 2.67 0.03 5.30 2.02 -1.26 -0.37 117.35 125.28 3mt5 s TYR 540 Ca -0.06 1.55 -0.18 0.00 -0.37 0.00 0.00 57.07 58.01 3mt5 s TYR 540 Cb -0.04 -3.21 -0.06 0.00 -0.40 0.00 0.00 41.96 38.25 3mt5 s TYR 540 CO 0.01 -1.58 0.52 -0.51 -1.57 0.00 0.00 175.55 172.43 3mt5 s LEU 541 N -4.33 4.48 0.51 -1.29 1.02 -0.74 -3.71 118.68 114.61 3mt5 s LEU 541 Ca 0.69 1.14 -0.20 0.00 0.02 0.00 0.00 54.13 55.78 3mt5 s LEU 541 Cb -0.22 -2.80 -0.10 0.00 0.02 0.00 0.00 46.19 43.09 3mt5 s LEU 541 CO 0.34 0.24 0.51 -0.24 0.02 0.00 0.00 176.35 177.22 3mt5 n SER 542 N 2.04 -1.06 -0.22 2.29 2.88 0.30 -4.80 113.62 115.05 3mt5 n SER 542 Ca -0.11 0.80 0.06 0.00 -1.33 0.00 0.00 58.87 58.29 3mt5 n SER 542 Cb 0.51 -1.14 0.32 0.00 -0.75 0.00 0.00 64.21 63.15 3mt5 n SER 542 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 3mt5 h SER 543 N 0.47 0.73 0.00 -3.46 0.87 -1.87 -2.66 113.55 107.62 3mt5 h SER 543 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 3mt5 h SER 543 Cb 1.40 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 3mt5 h SER 543 CO 0.49 0.47 0.12 0.00 -0.53 0.00 0.00 176.83 177.37 3mt5 h ALA 544 N 1.58 1.08 0.03 6.23 0.00 -1.90 -1.68 119.26 124.61 3mt5 h ALA 544 Ca 0.33 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.93 3mt5 h ALA 544 Cb 0.25 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3mt5 h ALA 544 CO -0.12 -0.08 -1.80 1.19 0.00 0.00 0.00 179.25 178.44 3mt5 n PHE 545 N -2.28 1.03 -1.50 0.00 3.72 -1.00 -4.93 117.46 112.50 3mt5 n PHE 545 Ca -0.01 0.33 -0.55 0.00 -0.05 0.00 0.00 57.45 57.17 3mt5 n PHE 545 Cb 0.15 -1.18 -0.06 0.00 -0.94 0.00 0.00 39.48 37.45 3mt5 n PHE 545 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3mt5 n VAL 546 N -3.14 0.50 0.00 -4.37 0.31 -0.63 -0.67 118.33 110.32 3mt5 n VAL 546 Ca -0.21 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 3mt5 n VAL 546 Cb 1.05 -0.18 0.00 0.00 -0.91 0.00 0.00 33.84 33.80 3mt5 n VAL 546 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3mt5 n GLY 547 N 1.76 3.13 3.76 2.92 0.00 0.26 -4.96 105.19 112.06 3mt5 n GLY 547 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 3mt5 n GLY 547 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mt5 s LEU 548 N 0.00 2.57 0.39 0.99 1.43 0.15 -4.65 118.68 119.56 3mt5 s LEU 548 Ca 0.00 1.49 -0.17 0.00 -1.03 0.00 0.00 54.13 54.43 3mt5 s LEU 548 Cb 0.00 -4.06 -0.09 0.00 0.03 0.00 0.00 46.19 42.07 3mt5 s LEU 548 CO 0.00 -2.22 0.83 -0.94 0.23 0.00 0.00 176.35 174.25 3mt5 s SER 549 N -3.61 6.79 0.16 2.29 1.04 -1.26 -1.13 113.70 117.98 3mt5 s SER 549 Ca 0.62 1.43 -0.27 0.00 0.48 0.00 0.00 55.95 58.20 3mt5 s SER 549 Cb -0.16 -2.44 -0.00 0.00 0.10 0.00 0.00 66.02 63.52 3mt5 s SER 549 CO 0.56 -0.31 1.57 0.15 0.98 0.00 0.00 173.24 176.18 3mt5 h PHE 550 N 1.91 -1.33 -0.89 5.02 3.57 -1.48 -2.12 116.94 121.61 3mt5 h PHE 550 Ca -0.48 0.08 0.14 0.00 3.53 0.00 0.00 57.97 61.24 3mt5 h PHE 550 Cb 1.18 0.65 -0.09 0.00 2.79 0.00 0.00 35.95 40.48 3mt5 h PHE 550 CO 0.62 -0.44 0.50 -1.35 -2.23 0.00 0.00 178.31 175.41 3mt5 h PRO 551 N -0.29 0.71 -0.38 6.41 0.11 -1.83 0.34 132.00 137.07 3mt5 h PRO 551 Ca 0.15 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.16 3mt5 h PRO 551 Cb 0.58 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 3mt5 h PRO 551 CO -0.63 0.47 0.04 1.79 -0.21 0.00 0.00 178.00 179.46 3mt5 h THR 552 N 0.73 1.25 -0.64 -1.15 1.35 -1.84 -1.50 112.91 111.11 3mt5 h THR 552 Ca 0.48 -0.90 -0.08 0.00 -0.55 0.00 0.00 66.41 65.35 3mt5 h THR 552 Cb 0.62 1.10 -0.02 0.00 -1.73 0.00 0.00 68.15 68.11 3mt5 h THR 552 CO -0.33 0.30 0.07 0.58 -0.25 0.00 0.00 175.52 175.89 3mt5 h VAL 553 N 0.47 1.26 -0.32 6.82 2.07 -0.65 -1.25 116.25 124.65 3mt5 h VAL 553 Ca 0.11 -1.07 0.02 0.00 0.82 0.00 0.00 66.70 66.58 3mt5 h VAL 553 Cb 0.40 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 3mt5 h VAL 553 CO 0.01 0.40 0.15 0.00 0.02 0.00 0.00 177.57 178.15 3mt5 h GLU 555 N 0.32 0.14 -0.33 0.00 4.81 -0.94 -1.26 114.58 117.31 3mt5 h GLU 555 Ca 0.13 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.41 3mt5 h GLU 555 Cb 0.06 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 3mt5 h GLU 555 CO -0.10 0.09 0.04 -0.07 -0.73 0.00 0.00 179.01 178.24 3mt5 h LEU 556 N 0.14 -0.04 -0.96 1.64 3.38 -0.67 0.25 115.31 119.04 3mt5 h LEU 556 Ca 0.12 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.23 3mt5 h LEU 556 Cb 0.13 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 3mt5 h LEU 556 CO -0.17 0.01 0.61 0.00 0.09 0.00 0.00 178.44 178.99 3mt5 h PHE 558 N 1.07 0.03 0.12 0.00 3.57 -0.22 0.53 116.94 122.04 3mt5 h PHE 558 Ca 0.43 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.92 3mt5 h PHE 558 Cb 0.25 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.98 3mt5 h PHE 558 CO -0.01 0.52 -0.06 0.28 -2.23 0.00 0.00 178.31 176.80 3mt5 h VAL 559 N -0.46 0.36 -0.03 1.41 2.07 -0.30 -2.99 116.25 116.31 3mt5 h VAL 559 Ca 0.00 -1.09 -0.04 0.00 0.82 0.00 0.00 66.70 66.39 3mt5 h VAL 559 Cb 0.51 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3mt5 h VAL 559 CO 0.00 0.11 -0.15 0.11 0.02 0.00 0.00 177.57 177.66 3mt5 h LYS 560 N -1.01 0.15 0.00 1.57 1.79 -0.48 -3.38 116.57 115.21 3mt5 h LYS 560 Ca -0.02 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 3mt5 h LYS 560 Cb 0.31 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 3mt5 h LYS 560 CO 0.03 0.80 -1.48 1.28 -1.08 0.00 0.00 179.45 178.99 3mt5 n LEU 561 N -4.60 0.43 -3.54 2.94 4.77 -0.94 -4.99 117.00 111.07 3mt5 n LEU 561 Ca -0.09 -0.10 -0.21 0.00 -0.03 0.00 0.00 56.01 55.58 3mt5 n LEU 561 Cb 0.42 -0.02 0.08 0.00 -2.33 0.00 0.00 43.42 41.57 3mt5 n LEU 561 CO 0.37 0.06 0.18 0.29 -1.33 0.00 0.00 177.39 176.96 3mt5 n LYS 562 N -2.04 -7.30 -5.26 3.23 5.02 0.16 -4.97 118.16 107.00 3mt5 n LYS 562 Ca -0.01 0.83 -0.31 0.00 -2.02 0.00 0.00 58.31 56.80 3mt5 n LYS 562 Cb 0.48 -5.86 -0.16 0.00 -0.02 0.00 0.00 35.03 29.47 3mt5 n LYS 562 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3mt5 s LEU 563 N -6.90 2.06 -0.40 -0.35 1.43 0.44 -4.95 118.68 110.01 3mt5 s LEU 563 Ca 0.33 -0.51 -0.20 0.00 -1.03 0.00 0.00 54.13 52.72 3mt5 s LEU 563 Cb -0.15 -1.36 0.01 0.00 0.03 0.00 0.00 46.19 44.72 3mt5 s LEU 563 CO 0.73 0.25 0.60 -0.22 0.23 0.00 0.00 176.35 177.95 3mt5 s LEU 564 N -0.19 4.44 -0.29 1.79 2.96 -1.08 -2.87 118.68 123.43 3mt5 s LEU 564 Ca -0.03 -0.20 -0.10 0.00 -0.22 0.00 0.00 54.13 53.59 3mt5 s LEU 564 Cb -0.13 -2.69 -0.02 0.00 0.50 0.00 0.00 46.19 43.84 3mt5 s LEU 564 CO 0.03 -0.67 0.15 -0.32 -1.32 0.00 0.00 176.35 174.23 3mt5 s MET 565 N 2.67 3.56 -0.06 1.98 -2.45 -1.26 -1.12 119.30 122.62 3mt5 s MET 565 Ca 0.22 -0.57 0.15 0.00 -1.25 0.00 0.00 55.69 54.23 3mt5 s MET 565 Cb -0.15 -3.57 -0.22 0.00 1.25 0.00 0.00 34.83 32.15 3mt5 s MET 565 CO 0.17 -0.32 0.25 0.44 1.05 0.00 0.00 175.02 176.61 3mt5 n ILE 566 N 5.00 0.29 -3.88 10.11 -5.35 -0.21 -4.94 119.36 120.38 3mt5 n ILE 566 Ca -0.14 -0.43 -0.09 0.00 -0.27 0.00 0.00 62.75 61.82 3mt5 n ILE 566 Cb 0.50 -0.08 -0.04 0.00 -1.74 0.00 0.00 39.64 38.28 3mt5 n ILE 566 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3mt5 s ALA 567 N -2.85 -0.71 -0.00 -1.28 0.00 -1.23 -0.65 121.76 115.04 3mt5 s ALA 567 Ca -0.06 -0.52 -0.02 0.00 0.00 0.00 0.00 51.96 51.36 3mt5 s ALA 567 Cb 0.08 0.94 -0.00 0.00 0.00 0.00 0.00 23.12 24.13 3mt5 s ALA 567 CO 0.62 -0.88 0.03 0.42 0.00 0.00 0.00 175.76 175.95 3mt5 s ILE 568 N -3.94 0.05 -0.01 0.00 -1.09 -0.87 -0.07 121.20 115.26 3mt5 s ILE 568 Ca 0.15 -0.41 -0.08 0.00 -2.23 0.00 0.00 60.65 58.08 3mt5 s ILE 568 Cb -0.02 -0.18 0.01 0.00 -1.58 0.00 0.00 42.46 40.69 3mt5 s ILE 568 CO 0.04 -0.23 0.17 -0.70 -1.23 0.00 0.00 174.94 172.99 3mt5 s GLU 569 N -0.68 0.45 -0.15 2.79 2.12 -0.06 -0.21 118.70 122.95 3mt5 s GLU 569 Ca -0.08 -0.24 -0.15 0.00 0.36 0.00 0.00 54.97 54.86 3mt5 s GLU 569 Cb -0.05 0.19 -0.05 0.00 0.26 0.00 0.00 34.13 34.49 3mt5 s GLU 569 CO -0.00 -0.11 -0.29 0.66 -0.54 0.00 0.00 175.26 174.99 3mt5 n TYR 570 N 1.74 0.05 0.00 5.30 4.01 -1.26 -0.07 117.16 126.93 3mt5 n TYR 570 Ca -0.21 0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 3mt5 n TYR 570 Cb 0.56 -0.44 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 3mt5 n TYR 570 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3mt5 n SER 577 N -4.18 0.00 -3.96 7.72 7.64 -1.26 -4.90 113.62 114.69 3mt5 n SER 577 Ca -0.12 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.66 3mt5 n SER 577 Cb 0.43 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.51 3mt5 n SER 577 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mt5 s ARG 578 N -3.75 0.25 0.13 1.43 1.70 -1.26 -5.14 118.95 112.31 3mt5 s ARG 578 Ca 0.00 -0.45 -0.30 0.00 -0.47 0.00 0.00 55.73 54.51 3mt5 s ARG 578 Cb 0.00 0.04 -0.06 0.00 -0.57 0.00 0.00 34.95 34.36 3mt5 s ARG 578 CO 0.00 -0.03 1.04 0.42 -1.08 0.00 0.00 175.30 175.65 3mt5 s ILE 579 N -1.04 4.21 -0.39 4.99 1.01 -1.26 -4.69 121.20 124.03 3mt5 s ILE 579 Ca -0.11 1.83 -0.07 0.00 0.00 0.00 0.00 60.65 62.30 3mt5 s ILE 579 Cb -0.07 -4.17 0.07 0.00 0.01 0.00 0.00 42.46 38.29 3mt5 s ILE 579 CO -0.01 0.28 0.19 -0.76 0.00 0.00 0.00 174.94 174.65 3mt5 s LEU 580 N -0.05 4.83 -0.04 2.97 1.43 0.70 -4.96 118.68 123.57 3mt5 s LEU 580 Ca 0.49 -1.41 -0.30 0.00 -1.03 0.00 0.00 54.13 51.88 3mt5 s LEU 580 Cb -0.26 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 3mt5 s LEU 580 CO 0.32 -0.45 1.16 -0.63 0.23 0.00 0.00 176.35 176.98 3mt5 s ILE 581 N 1.39 4.32 -1.15 -0.59 1.09 -1.26 -2.05 121.20 122.94 3mt5 s ILE 581 Ca 0.02 1.64 -0.20 0.00 -1.10 0.00 0.00 60.65 61.01 3mt5 s ILE 581 Cb -0.22 -4.05 0.03 0.00 -1.06 0.00 0.00 42.46 37.16 3mt5 s ILE 581 CO 0.02 0.03 0.38 -3.20 -0.10 0.00 0.00 174.94 172.07 3mt5 n ASN 582 N 4.88 -1.99 -4.24 3.58 5.15 0.17 -4.47 115.26 118.35 3mt5 n ASN 582 Ca 0.10 -1.13 -0.29 0.00 -0.60 0.00 0.00 54.58 52.66 3mt5 n ASN 582 Cb 0.47 -1.37 0.22 0.00 -0.53 0.00 0.00 39.78 38.57 3mt5 n ASN 582 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3mt5 s PRO 583 N -7.04 -0.69 0.15 1.20 0.04 -1.26 -4.84 135.00 122.56 3mt5 s PRO 583 Ca 0.28 0.29 0.02 0.00 0.04 0.00 0.00 61.00 61.64 3mt5 s PRO 583 Cb -0.16 -1.63 0.02 0.00 0.04 0.00 0.00 34.50 32.78 3mt5 s PRO 583 CO 0.85 -3.43 0.20 0.41 0.04 0.00 0.00 177.00 175.07 3mt5 n GLY 584 N -0.58 1.96 0.32 0.56 0.00 -1.26 -4.56 105.19 101.63 3mt5 n GLY 584 Ca 0.08 -2.16 0.15 0.00 0.00 0.00 0.00 46.02 44.10 3mt5 n GLY 584 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3mt5 h ASN 585 N 0.03 0.30 0.01 1.61 2.35 -1.97 -1.69 115.58 116.22 3mt5 h ASN 585 Ca -0.07 0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3mt5 h ASN 585 Cb 0.32 0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.85 3mt5 h ASN 585 CO 0.10 -0.06 0.00 1.41 -1.65 0.00 0.00 177.43 177.23 3mt5 n HIS 586 N -5.08 0.00 -3.73 1.19 8.25 -1.26 -4.55 115.22 110.03 3mt5 n HIS 586 Ca 0.24 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.32 3mt5 n HIS 586 Cb 0.73 -0.01 -0.12 0.00 1.12 0.00 0.00 29.99 31.71 3mt5 n HIS 586 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3mt5 s LEU 587 N -2.02 4.64 0.14 2.41 1.98 -0.63 -5.08 118.68 120.11 3mt5 s LEU 587 Ca 0.19 -1.39 -0.07 0.00 -2.89 0.00 0.00 54.13 49.97 3mt5 s LEU 587 Cb 0.09 -1.88 -0.06 0.00 0.66 0.00 0.00 46.19 45.00 3mt5 s LEU 587 CO 0.15 -0.41 0.41 -0.54 -1.89 0.00 0.00 176.35 174.07 3mt5 s LYS 588 N 1.35 3.68 -0.34 1.98 -0.14 -1.26 -1.48 119.74 123.53 3mt5 s LYS 588 Ca 0.01 0.03 -0.25 0.00 -1.36 0.00 0.00 55.97 54.39 3mt5 s LYS 588 Cb -0.21 -2.86 0.01 0.00 -1.68 0.00 0.00 37.83 33.09 3mt5 s LYS 588 CO 0.01 0.47 0.89 0.42 -0.76 0.00 0.00 175.35 176.38 3mt5 s ILE 589 N -1.61 4.66 0.00 2.17 1.01 -0.28 -4.91 121.20 122.23 3mt5 s ILE 589 Ca 0.40 1.23 0.00 0.00 0.00 0.00 0.00 60.65 62.27 3mt5 s ILE 589 Cb -0.12 -4.27 0.00 0.00 0.01 0.00 0.00 42.46 38.07 3mt5 s ILE 589 CO 0.22 -0.43 0.00 0.00 0.00 0.00 0.00 174.94 174.73 3mt5 n GLN 590 N 6.57 0.86 -2.90 2.79 10.64 -1.26 0.91 117.38 134.99 3mt5 n GLN 590 Ca 0.06 0.00 -0.36 0.00 -1.83 0.00 0.00 57.00 54.87 3mt5 n GLN 590 Cb 0.48 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.80 3mt5 n GLN 590 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 3mt5 s GLU 591 N -1.66 4.41 -1.01 2.61 2.02 -1.26 -3.70 118.70 120.10 3mt5 s GLU 591 Ca 0.00 1.13 -0.01 0.00 0.02 0.00 0.00 54.97 56.11 3mt5 s GLU 591 Cb 0.00 -2.71 0.00 0.00 0.10 0.00 0.00 34.13 31.52 3mt5 s GLU 591 CO 0.00 0.26 0.10 0.41 0.02 0.00 0.00 175.26 176.05 3mt5 n GLY 592 N 0.38 -0.11 3.72 -1.39 0.00 -1.26 -4.99 105.19 101.54 3mt5 n GLY 592 Ca 0.02 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 3mt5 n GLY 592 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mt5 s THR 593 N -2.70 4.89 -0.14 2.61 2.01 -1.24 -4.77 115.64 116.30 3mt5 s THR 593 Ca 0.05 1.86 -0.17 0.00 0.31 0.00 0.00 61.69 63.74 3mt5 s THR 593 Cb -0.02 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 3mt5 s THR 593 CO 0.06 0.21 0.43 -0.22 -0.69 0.00 0.00 174.62 174.41 3mt5 s LEU 594 N 0.81 4.26 0.02 4.42 2.96 0.90 -1.80 118.68 130.25 3mt5 s LEU 594 Ca 0.47 0.72 0.01 0.00 -0.22 0.00 0.00 54.13 55.10 3mt5 s LEU 594 Cb -0.20 -2.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.84 3mt5 s LEU 594 CO 0.25 0.01 0.08 -0.83 -1.32 0.00 0.00 176.35 174.54 3mt5 s GLY 595 N 0.64 2.01 -0.19 7.98 0.00 0.50 -0.88 107.32 117.38 3mt5 s GLY 595 Ca 0.23 -0.91 -0.04 0.00 0.00 0.00 0.00 44.72 44.00 3mt5 s GLY 595 CO 0.09 -0.81 -0.02 -1.36 0.00 0.00 0.00 173.10 170.99 3mt5 s PHE 596 N -1.24 3.01 0.01 1.90 0.08 0.90 -1.82 117.98 120.82 3mt5 s PHE 596 Ca 0.25 -0.51 0.05 0.00 0.12 0.00 0.00 56.93 56.83 3mt5 s PHE 596 Cb -0.12 -2.05 -0.02 0.00 -0.57 0.00 0.00 43.02 40.27 3mt5 s PHE 596 CO 0.16 -0.25 -0.15 -0.06 -0.10 0.00 0.00 175.22 174.82 3mt5 s PHE 597 N 0.91 1.36 -0.17 0.36 0.08 0.01 -1.05 117.98 119.49 3mt5 s PHE 597 Ca 0.00 -0.30 -0.05 0.00 0.12 0.00 0.00 56.93 56.70 3mt5 s PHE 597 Cb -0.14 -0.84 -0.03 0.00 -0.57 0.00 0.00 43.02 41.43 3mt5 s PHE 597 CO 0.02 0.01 -0.00 0.42 -0.10 0.00 0.00 175.22 175.56 3mt5 s ILE 598 N -0.57 4.18 0.03 0.64 1.01 -0.28 0.89 121.20 127.11 3mt5 s ILE 598 Ca 0.05 -0.25 -0.28 0.00 0.00 0.00 0.00 60.65 60.16 3mt5 s ILE 598 Cb -0.07 -2.85 0.09 0.00 0.01 0.00 0.00 42.46 39.64 3mt5 s ILE 598 CO 0.00 0.48 0.95 0.00 0.00 0.00 0.00 174.94 176.37 3mt5 s ALA 599 N 0.40 -1.81 -0.51 9.38 0.00 -0.71 -2.63 121.76 125.87 3mt5 s ALA 599 Ca -0.02 0.78 0.24 0.00 0.00 0.00 0.00 51.96 52.96 3mt5 s ALA 599 Cb -0.14 0.45 0.43 0.00 0.00 0.00 0.00 23.12 23.86 3mt5 s ALA 599 CO 0.02 -0.80 1.58 0.66 0.00 0.00 0.00 175.76 177.22 3mt5 h SER 600 N 2.00 0.00 -3.79 0.00 4.64 -1.85 -1.52 113.55 113.03 3mt5 h SER 600 Ca -0.22 -0.01 -0.18 0.00 -0.47 0.00 0.00 61.79 60.91 3mt5 h SER 600 Cb 1.23 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 63.06 3mt5 h SER 600 CO 0.29 0.01 -0.49 1.51 -0.87 0.00 0.00 176.83 177.27 3mt5 s ASP 601 N -5.56 -0.20 0.48 4.97 -4.77 -1.26 -4.79 116.67 105.54 3mt5 s ASP 601 Ca 0.07 0.39 0.20 0.00 -3.30 0.00 0.00 52.55 49.91 3mt5 s ASP 601 Cb 0.08 0.40 1.22 0.00 -1.09 0.00 0.00 42.92 43.53 3mt5 s ASP 601 CO 0.67 -0.07 1.98 0.00 0.70 0.00 0.00 175.17 178.44 3mt5 h ALA 602 N 5.87 2.27 -0.47 2.11 0.00 -2.00 -2.60 119.26 124.45 3mt5 h ALA 602 Ca -0.26 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3mt5 h ALA 602 Cb 1.20 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3mt5 h ALA 602 CO 0.39 -0.43 0.28 0.87 0.00 0.00 0.00 179.25 180.35 3mt5 h LYS 603 N 0.20 0.64 0.00 0.00 1.57 -2.01 -2.54 116.57 114.43 3mt5 h LYS 603 Ca 0.28 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.93 3mt5 h LYS 603 Cb 0.83 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 3mt5 h LYS 603 CO -0.05 0.47 -0.31 1.49 -0.57 0.00 0.00 179.45 180.48 3mt5 h GLU 604 N 0.62 0.00 -0.08 3.15 4.57 -1.88 -2.74 114.58 118.23 3mt5 h GLU 604 Ca 0.17 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.29 3mt5 h GLU 604 Cb 0.01 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 3mt5 h GLU 604 CO -0.03 0.31 -0.19 0.28 -1.18 0.00 0.00 179.01 178.20 3mt5 h VAL 605 N 0.00 1.18 -0.53 0.32 2.07 -1.48 -2.85 116.25 114.96 3mt5 h VAL 605 Ca -0.00 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 3mt5 h VAL 605 Cb 0.60 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 3mt5 h VAL 605 CO 0.04 0.25 0.26 0.11 0.02 0.00 0.00 177.57 178.25 3mt5 h LYS 606 N 0.12 0.73 -1.34 1.57 1.79 -1.47 -2.62 116.57 115.35 3mt5 h LYS 606 Ca 0.02 -0.08 0.40 0.00 -2.18 0.00 0.00 60.65 58.81 3mt5 h LYS 606 Cb 0.42 -0.14 -0.09 0.00 -1.58 0.00 0.00 32.23 30.84 3mt5 h LYS 606 CO 0.03 0.56 0.92 0.00 -1.08 0.00 0.00 179.45 179.88 3mt5 h ARG 607 N 0.74 0.11 0.00 3.15 3.08 -1.65 0.44 114.38 120.24 3mt5 h ARG 607 Ca 0.19 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 3mt5 h ARG 607 Cb 0.06 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 3mt5 h ARG 607 CO -0.03 0.07 -0.16 0.00 -1.07 0.00 0.00 179.97 178.78 3mt5 h ALA 608 N 1.44 1.25 0.00 0.04 0.00 -1.67 -2.17 119.26 118.14 3mt5 h ALA 608 Ca 0.72 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 55.36 3mt5 h ALA 608 Cb 2.47 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 20.22 3mt5 h ALA 608 CO -0.19 0.20 -1.25 0.35 0.00 0.00 0.00 179.25 178.36 3mt5 h PHE 609 N 0.00 0.00 -1.84 0.00 3.57 -0.20 0.86 116.94 119.34 3mt5 h PHE 609 Ca -0.00 0.00 -0.66 0.00 3.53 0.00 0.00 57.97 60.83 3mt5 h PHE 609 Cb 0.44 0.00 -0.36 0.00 2.79 0.00 0.00 35.95 38.81 3mt5 h PHE 609 CO 0.00 0.41 -0.01 1.19 -2.23 0.00 0.00 178.31 177.67 3mt5 n PHE 610 N -2.85 3.32 -3.89 0.41 3.72 -0.82 -3.75 117.46 113.61 3mt5 n PHE 610 Ca -0.06 -2.95 -0.36 0.00 -0.05 0.00 0.00 57.45 54.03 3mt5 n PHE 610 Cb 0.75 -0.58 -0.06 0.00 -0.94 0.00 0.00 39.48 38.66 3mt5 n PHE 610 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 3mt5 s TYR 611 N -3.77 3.59 0.05 1.38 5.04 -1.21 -4.94 117.35 117.50 3mt5 s TYR 611 Ca 0.49 0.48 0.04 0.00 -2.44 0.00 0.00 57.07 55.64 3mt5 s TYR 611 Cb 0.38 -1.91 -0.03 0.00 0.35 0.00 0.00 41.96 40.75 3mt5 s TYR 611 CO -0.25 0.71 -0.13 0.00 -1.34 0.00 0.00 175.55 174.55 3mt5 n LYS 613 N 1.55 -1.37 0.00 0.00 4.81 -1.26 -5.16 118.16 116.73 3mt5 n LYS 613 Ca -0.20 1.43 0.00 0.00 -0.87 0.00 0.00 58.31 58.66 3mt5 n LYS 613 Cb 0.54 -5.55 0.00 0.00 0.02 0.00 0.00 35.03 30.04 3mt5 n LYS 613 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3mt5 n ASP 677 N -1.88 0.00 0.18 3.14 8.00 -1.26 -5.12 116.55 119.61 3mt5 n ASP 677 Ca -0.02 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.34 3mt5 n ASP 677 Cb 0.52 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.55 3mt5 n ASP 677 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 3mt5 h ASN 678 N 0.00 -0.65 0.47 -2.24 -0.73 -2.06 -3.19 115.58 107.17 3mt5 h ASN 678 Ca 0.00 0.06 -0.15 0.00 1.87 0.00 0.00 56.30 58.07 3mt5 h ASN 678 Cb 0.00 0.22 -0.01 0.00 0.27 0.00 0.00 38.32 38.80 3mt5 h ASN 678 CO 0.00 -0.37 -0.66 -0.03 -0.37 0.00 0.00 177.43 176.00 3mt5 h MET 679 N -0.54 0.18 0.00 6.67 4.05 -2.05 -3.31 114.93 119.93 3mt5 h MET 679 Ca -0.01 -0.14 -0.06 0.00 -0.28 0.00 0.00 59.70 59.22 3mt5 h MET 679 Cb 0.49 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.31 3mt5 h MET 679 CO -0.04 0.77 -0.27 0.22 0.23 0.00 0.00 176.91 177.83 3mt5 h ASP 680 N 0.12 0.00 0.88 1.39 3.58 -1.96 0.28 116.42 120.71 3mt5 h ASP 680 Ca -0.01 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 3mt5 h ASP 680 Cb 1.19 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.24 3mt5 h ASP 680 CO 0.10 0.27 -0.01 -1.28 -2.88 0.00 0.00 179.24 175.44 3mt5 h SER 681 N 0.00 0.00 -0.70 2.28 0.87 -1.64 -3.24 113.55 111.13 3mt5 h SER 681 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3mt5 h SER 681 Cb 0.49 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 3mt5 h SER 681 CO 0.03 0.01 0.00 0.59 -0.53 0.00 0.00 176.83 176.93 3mt5 n ASN 682 N -3.11 3.90 -4.58 6.23 3.02 0.97 -4.61 115.26 117.08 3mt5 n ASN 682 Ca 0.00 -2.06 -0.35 0.00 -0.03 0.00 0.00 54.58 52.13 3mt5 n ASN 682 Cb 0.28 -0.49 -0.11 0.00 -0.61 0.00 0.00 39.78 38.86 3mt5 n ASN 682 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3mt5 s VAL 683 N -1.18 4.73 -0.40 2.41 1.01 -1.17 -5.06 120.40 120.75 3mt5 s VAL 683 Ca 0.48 -0.05 -0.28 0.00 0.00 0.00 0.00 61.98 62.12 3mt5 s VAL 683 Cb 0.26 -3.17 -0.00 0.00 0.00 0.00 0.00 36.38 33.47 3mt5 s VAL 683 CO 0.31 0.40 1.56 -0.54 0.00 0.00 0.00 175.10 176.83 3mt5 s LYS 684 N 0.89 3.44 0.00 2.72 1.02 -1.26 -4.73 119.74 121.82 3mt5 s LYS 684 Ca 0.04 1.07 0.11 0.00 0.02 0.00 0.00 55.97 57.21 3mt5 s LYS 684 Cb -0.14 -4.10 -0.03 0.00 -0.52 0.00 0.00 37.83 33.04 3mt5 s LYS 684 CO 0.03 -1.73 0.60 1.63 -0.92 0.00 0.00 175.35 174.95 3mt5 n LYS 685 N 8.27 2.48 -3.97 1.68 5.02 -1.26 -4.62 118.16 125.76 3mt5 n LYS 685 Ca 0.19 -0.46 -0.08 0.00 -2.02 0.00 0.00 58.31 55.94 3mt5 n LYS 685 Cb 0.48 -1.07 -0.09 0.00 -0.02 0.00 0.00 35.03 34.33 3mt5 n LYS 685 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3mt5 s TYR 686 N -1.56 0.31 0.97 2.13 2.02 -1.26 -0.23 117.35 119.72 3mt5 s TYR 686 Ca 0.07 -0.76 -0.12 0.00 -0.37 0.00 0.00 57.07 55.90 3mt5 s TYR 686 Cb 0.08 -0.22 0.17 0.00 -0.40 0.00 0.00 41.96 41.60 3mt5 s TYR 686 CO 0.31 -0.43 1.09 0.16 -1.57 0.00 0.00 175.55 175.11 3mt5 s ASP 687 N -2.67 2.89 0.45 2.29 -4.77 -0.65 -0.41 116.67 113.80 3mt5 s ASP 687 Ca 0.03 1.31 0.19 0.00 -3.30 0.00 0.00 52.55 50.78 3mt5 s ASP 687 Cb 0.04 -1.98 1.16 0.00 -1.09 0.00 0.00 42.92 41.05 3mt5 s ASP 687 CO -0.09 -2.98 1.90 0.77 0.70 0.00 0.00 175.17 175.47 3mt5 h SER 688 N -1.79 0.30 0.25 2.11 4.64 -0.33 0.18 113.55 118.92 3mt5 h SER 688 Ca -0.53 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3mt5 h SER 688 Cb 1.31 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3mt5 h SER 688 CO 0.56 0.14 -0.05 0.35 -0.87 0.00 0.00 176.83 176.96 3mt5 n THR 689 N -4.45 0.00 -2.34 2.95 -2.24 -1.26 -4.87 114.28 102.06 3mt5 n THR 689 Ca 0.16 -0.06 -0.15 0.00 -2.27 0.00 0.00 64.05 61.73 3mt5 n THR 689 Cb 0.66 -0.20 -0.00 0.00 -2.10 0.00 0.00 70.33 68.69 3mt5 n THR 689 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mt5 n GLY 690 N 1.19 -0.25 0.02 3.38 0.00 0.63 -4.75 105.19 105.41 3mt5 n GLY 690 Ca 0.17 -0.23 0.05 0.00 0.00 0.00 0.00 46.02 46.01 3mt5 n GLY 690 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3mt5 n MET 691 N -2.53 0.71 -3.89 1.61 0.00 -1.26 -4.18 117.12 107.58 3mt5 n MET 691 Ca -0.17 -0.12 -0.11 0.00 -0.00 0.00 0.00 57.70 57.30 3mt5 n MET 691 Cb 0.63 -1.40 -0.12 0.00 0.00 0.00 0.00 33.22 32.34 3mt5 n MET 691 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 3mt5 s PHE 692 N -2.99 0.03 0.36 1.12 0.08 -1.26 -1.02 117.98 114.31 3mt5 s PHE 692 Ca -0.06 -0.06 -0.28 0.00 0.12 0.00 0.00 56.93 56.64 3mt5 s PHE 692 Cb 0.09 -0.04 -0.11 0.00 -0.57 0.00 0.00 43.02 42.39 3mt5 s PHE 692 CO 0.68 -0.13 1.52 -1.01 -0.10 0.00 0.00 175.22 176.18 3mt5 s HIS 693 N -0.66 2.59 0.07 0.36 3.76 0.13 -1.63 115.29 119.91 3mt5 s HIS 693 Ca -0.07 1.07 0.00 0.00 -0.15 0.00 0.00 55.06 55.91 3mt5 s HIS 693 Cb -0.05 -4.06 -0.04 0.00 1.11 0.00 0.00 32.58 29.55 3mt5 s HIS 693 CO 0.00 -3.19 -0.05 -0.46 -0.85 0.00 0.00 174.74 170.19 3mt5 s TRP 694 N -0.90 0.69 -0.02 1.40 -0.00 0.68 -4.71 118.94 116.08 3mt5 s TRP 694 Ca 0.55 -1.00 -0.23 0.00 -0.00 0.00 0.00 56.10 55.42 3mt5 s TRP 694 Cb -0.47 -0.45 0.05 0.00 -0.00 0.00 0.00 33.47 32.60 3mt5 s TRP 694 CO 0.61 -0.28 0.51 0.00 -0.00 0.00 0.00 176.95 177.79 3mt5 n ALA 696 N 0.99 -0.26 -1.55 0.00 0.00 -1.26 -4.36 120.51 114.08 3mt5 n ALA 696 Ca -0.20 0.30 -0.31 0.00 0.00 0.00 0.00 53.44 53.23 3mt5 n ALA 696 Cb 0.57 -2.01 -0.05 0.00 0.00 0.00 0.00 19.45 17.97 3mt5 n ALA 696 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3mt5 n PRO 697 N 0.49 0.87 -1.99 0.00 -0.02 -1.26 -4.81 135.00 128.28 3mt5 n PRO 697 Ca 0.10 -0.20 -0.41 0.00 -2.02 0.00 0.00 63.50 60.96 3mt5 n PRO 697 Cb 0.36 -3.40 -0.02 0.00 -0.02 0.00 0.00 33.50 30.41 3mt5 n PRO 697 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3mt5 s LYS 698 N 8.46 4.26 0.33 -0.52 2.20 -1.16 -5.01 119.74 128.30 3mt5 s LYS 698 Ca 0.99 2.33 -0.26 0.00 -0.36 0.00 0.00 55.97 58.67 3mt5 s LYS 698 Cb -0.21 -3.09 -0.10 0.00 -1.51 0.00 0.00 37.83 32.92 3mt5 s LYS 698 CO 0.23 -0.41 0.94 -1.21 -0.36 0.00 0.00 175.35 174.55 3mt5 s GLU 699 N -0.71 4.56 0.38 4.03 2.02 -1.26 -4.83 118.70 122.88 3mt5 s GLU 699 Ca 0.58 1.31 0.17 0.00 0.02 0.00 0.00 54.97 57.05 3mt5 s GLU 699 Cb -0.42 -2.76 1.08 0.00 0.10 0.00 0.00 34.13 32.13 3mt5 s GLU 699 CO 0.46 0.26 1.73 0.97 0.02 0.00 0.00 175.26 178.71 3mt5 h ILE 700 N 2.56 0.46 -0.71 -1.63 2.10 -1.98 -0.20 117.51 118.12 3mt5 h ILE 700 Ca -0.47 -0.14 0.08 0.00 1.08 0.00 0.00 64.86 65.41 3mt5 h ILE 700 Cb 1.19 0.02 -0.05 0.00 -1.09 0.00 0.00 36.82 36.90 3mt5 h ILE 700 CO 0.65 0.07 0.46 -0.33 -1.08 0.00 0.00 178.15 177.93 3mt5 h GLU 701 N 0.40 0.64 0.00 2.19 3.07 -1.95 -0.97 114.58 117.97 3mt5 h GLU 701 Ca 0.65 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.47 3mt5 h GLU 701 Cb 1.57 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 29.33 3mt5 h GLU 701 CO -0.39 0.42 0.00 1.63 -1.40 0.00 0.00 179.01 179.27 3mt5 n LYS 702 N -4.49 0.04 0.00 2.33 5.02 -0.09 -3.08 118.16 117.90 3mt5 n LYS 702 Ca 0.11 0.31 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 3mt5 n LYS 702 Cb 0.28 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 3mt5 n LYS 702 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3mt5 n VAL 703 N -1.42 0.00 -2.33 -0.18 0.31 -0.41 -5.02 118.33 109.28 3mt5 n VAL 703 Ca 0.03 -0.09 -0.41 0.00 -0.01 0.00 0.00 64.34 63.86 3mt5 n VAL 703 Cb 0.08 0.52 -0.03 0.00 -0.91 0.00 0.00 33.84 33.49 3mt5 n VAL 703 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3mt5 s ILE 704 N -1.32 3.32 0.28 2.52 1.01 -0.94 -1.87 121.20 124.21 3mt5 s ILE 704 Ca 0.00 1.20 0.10 0.00 0.00 0.00 0.00 60.65 61.95 3mt5 s ILE 704 Cb 0.00 -3.77 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 3mt5 s ILE 704 CO 0.00 0.24 -0.03 -0.76 0.00 0.00 0.00 174.94 174.39 3mt5 s LEU 705 N -0.88 3.07 0.27 2.97 1.43 0.88 -4.91 118.68 121.51 3mt5 s LEU 705 Ca 0.50 -0.75 0.07 0.00 -1.03 0.00 0.00 54.13 52.92 3mt5 s LEU 705 Cb -0.34 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 3mt5 s LEU 705 CO 0.41 -0.03 0.25 0.42 0.23 0.00 0.00 176.35 177.63 3mt5 s THR 706 N -2.38 4.29 0.42 5.49 -4.23 -1.26 -4.29 115.64 113.67 3mt5 s THR 706 Ca 0.32 -1.34 0.14 0.00 -1.18 0.00 0.00 61.69 59.63 3mt5 s THR 706 Cb -0.05 -3.39 0.34 0.00 1.34 0.00 0.00 72.50 70.73 3mt5 s THR 706 CO 0.19 -0.30 1.95 -0.09 -0.54 0.00 0.00 174.62 175.83 3mt5 h ARG 707 N 1.37 0.44 0.00 3.99 2.43 -1.99 -0.09 114.38 120.53 3mt5 h ARG 707 Ca -0.48 -0.03 -0.19 0.00 -0.81 0.00 0.00 59.98 58.48 3mt5 h ARG 707 Cb 1.24 -0.10 0.02 0.00 -0.42 0.00 0.00 29.97 30.71 3mt5 h ARG 707 CO 0.60 0.29 -0.74 0.77 -1.51 0.00 0.00 179.97 179.38 3mt5 h SER 708 N 0.45 0.65 0.30 -3.80 0.02 -1.98 -1.65 113.55 107.53 3mt5 h SER 708 Ca 0.33 -0.76 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 3mt5 h SER 708 Cb 0.65 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 3mt5 h SER 708 CO -0.10 1.32 -0.32 -0.33 -1.14 0.00 0.00 176.83 176.26 3mt5 h GLU 709 N 0.04 -0.64 -0.59 3.45 5.08 -1.77 -0.40 114.58 119.75 3mt5 h GLU 709 Ca -0.09 0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.40 3mt5 h GLU 709 Cb 1.44 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 30.79 3mt5 h GLU 709 CO 0.15 -0.42 0.39 0.00 -1.00 0.00 0.00 179.01 178.12 3mt5 h ALA 710 N -0.12 1.97 -0.45 3.43 0.00 -1.06 0.22 119.26 123.26 3mt5 h ALA 710 Ca -0.01 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3mt5 h ALA 710 Cb 0.61 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3mt5 h ALA 710 CO -0.08 -0.10 -0.00 0.00 0.00 0.00 0.00 179.25 179.07 3mt5 h ALA 711 N 1.70 0.61 -0.45 0.00 0.00 -0.82 -3.13 119.26 117.18 3mt5 h ALA 711 Ca 0.27 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3mt5 h ALA 711 Cb 0.48 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3mt5 h ALA 711 CO -0.07 0.41 0.19 0.52 0.00 0.00 0.00 179.25 180.30 3mt5 h MET 712 N 0.65 0.63 -6.18 0.00 2.07 0.11 -3.40 114.93 108.82 3mt5 h MET 712 Ca 0.13 -0.08 -0.56 0.00 -2.07 0.00 0.00 59.70 57.12 3mt5 h MET 712 Cb 0.50 -0.12 -0.05 0.00 -1.87 0.00 0.00 31.60 30.07 3mt5 h MET 712 CO 0.02 0.51 0.07 0.99 1.07 0.00 0.00 176.91 179.58 3mt5 s THR 713 N -5.33 4.84 0.02 2.22 2.01 -0.93 -5.08 115.64 113.39 3mt5 s THR 713 Ca -0.09 1.44 -0.19 0.00 0.31 0.00 0.00 61.69 63.16 3mt5 s THR 713 Cb 0.17 -4.02 -0.06 0.00 0.01 0.00 0.00 72.50 68.59 3mt5 s THR 713 CO 0.76 0.38 0.55 0.54 -0.69 0.00 0.00 174.62 176.15 3mt5 s VAL 714 N -0.04 4.87 0.03 3.82 0.11 -1.26 -4.87 120.40 123.05 3mt5 s VAL 714 Ca 0.35 1.15 0.06 0.00 -2.93 0.00 0.00 61.98 60.61 3mt5 s VAL 714 Cb -0.19 -3.88 -0.02 0.00 -1.53 0.00 0.00 36.38 30.76 3mt5 s VAL 714 CO 0.20 0.50 -0.18 -0.76 -3.33 0.00 0.00 175.10 171.53 3mt5 s LEU 715 N -0.68 2.15 0.06 2.54 1.43 -1.26 -5.13 118.68 117.78 3mt5 s LEU 715 Ca 0.29 -0.46 -0.20 0.00 -1.03 0.00 0.00 54.13 52.73 3mt5 s LEU 715 Cb -0.18 -0.82 0.04 0.00 0.03 0.00 0.00 46.19 45.26 3mt5 s LEU 715 CO 0.17 0.12 0.46 -0.94 0.23 0.00 0.00 176.35 176.39 3mt5 s SER 716 N -1.03 -0.35 -0.78 2.29 1.04 -1.26 -4.66 113.70 108.95 3mt5 s SER 716 Ca 0.05 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.52 3mt5 s SER 716 Cb -0.08 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.50 3mt5 s SER 716 CO 0.01 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.13 3mt5 n GLY 717 N 0.37 0.88 4.00 7.32 0.00 -0.76 -4.90 105.19 112.09 3mt5 n GLY 717 Ca -0.18 -0.28 -0.18 0.00 0.00 0.00 0.00 46.02 45.39 3mt5 n GLY 717 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3mt5 s HIS 718 N -2.04 2.87 -0.23 1.61 -0.00 -1.26 -4.41 115.29 111.83 3mt5 s HIS 718 Ca 0.00 -0.37 -0.04 0.00 -0.00 0.00 0.00 55.06 54.65 3mt5 s HIS 718 Cb 0.00 -2.28 -0.00 0.00 -0.00 0.00 0.00 32.58 30.30 3mt5 s HIS 718 CO 0.00 -0.31 -0.02 0.08 -0.00 0.00 0.00 174.74 174.48 3mt5 s VAL 719 N -2.32 3.44 -0.27 -5.38 1.01 0.11 -0.06 120.40 116.93 3mt5 s VAL 719 Ca 0.52 -0.55 -0.14 0.00 0.00 0.00 0.00 61.98 61.81 3mt5 s VAL 719 Cb -0.09 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 3mt5 s VAL 719 CO 0.32 0.36 0.32 -0.69 0.00 0.00 0.00 175.10 175.41 3mt5 s VAL 720 N 1.47 5.22 -0.40 2.92 1.01 -0.68 -1.00 120.40 128.95 3mt5 s VAL 720 Ca 0.05 0.46 -0.01 0.00 0.00 0.00 0.00 61.98 62.48 3mt5 s VAL 720 Cb -0.15 -3.65 0.11 0.00 0.00 0.00 0.00 36.38 32.69 3mt5 s VAL 720 CO -0.02 0.20 0.17 -0.69 0.00 0.00 0.00 175.10 174.75 3mt5 s VAL 721 N 1.89 3.06 0.01 2.92 1.01 0.07 -0.26 120.40 129.09 3mt5 s VAL 721 Ca 0.13 -2.14 -0.30 0.00 0.00 0.00 0.00 61.98 59.67 3mt5 s VAL 721 Cb -0.16 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 3mt5 s VAL 721 CO 0.10 -0.67 0.98 0.00 0.00 0.00 0.00 175.10 175.50 3mt5 s ILE 723 N 0.92 0.99 -0.20 0.00 1.01 -0.21 -1.24 121.20 122.47 3mt5 s ILE 723 Ca 0.51 -0.41 -0.08 0.00 0.00 0.00 0.00 60.65 60.67 3mt5 s ILE 723 Cb -0.21 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 3mt5 s ILE 723 CO 0.28 0.32 0.09 -0.36 0.00 0.00 0.00 174.94 175.27 3mt5 s PHE 724 N 0.61 3.29 0.00 3.97 0.08 -0.53 -4.35 117.98 121.04 3mt5 s PHE 724 Ca -0.12 0.12 0.00 0.00 0.12 0.00 0.00 56.93 57.05 3mt5 s PHE 724 Cb -0.14 -2.13 0.00 0.00 -0.57 0.00 0.00 43.02 40.18 3mt5 s PHE 724 CO 0.03 0.15 0.00 0.41 -0.10 0.00 0.00 175.22 175.71 3mt5 n GLY 725 N 3.68 2.32 0.00 4.36 0.00 -1.26 -1.09 105.19 113.20 3mt5 n GLY 725 Ca -0.16 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.75 3mt5 n GLY 725 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3mt5 n ASP 726 N 0.00 0.00 -0.25 1.61 5.68 -1.26 -4.36 116.55 117.96 3mt5 n ASP 726 Ca 0.00 -0.68 0.09 0.00 -0.50 0.00 0.00 54.79 53.69 3mt5 n ASP 726 Cb 0.00 0.00 0.34 0.00 -1.14 0.00 0.00 41.12 40.32 3mt5 n ASP 726 CO 0.00 0.00 0.00 -0.37 -1.33 0.00 0.00 177.20 175.50 3mt5 h VAL 727 N 0.68 0.94 0.00 2.12 -1.51 -1.95 -2.35 116.25 114.17 3mt5 h VAL 727 Ca 0.00 -0.27 0.00 0.00 -1.23 0.00 0.00 66.70 65.20 3mt5 h VAL 727 Cb 0.00 0.08 0.00 0.00 -2.13 0.00 0.00 31.29 29.24 3mt5 h VAL 727 CO 0.00 0.14 0.00 0.77 -1.23 0.00 0.00 177.57 177.25 3mt5 h SER 728 N 0.79 0.00 -3.77 4.19 4.64 -1.97 -3.47 113.55 113.96 3mt5 h SER 728 Ca 0.40 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 61.16 3mt5 h SER 728 Cb 0.47 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 62.69 3mt5 h SER 728 CO -0.17 0.00 0.53 -1.20 -0.87 0.00 0.00 176.83 175.12 3mt5 n SER 729 N -2.48 2.57 -4.76 4.97 7.64 -0.89 -4.96 113.62 115.71 3mt5 n SER 729 Ca 0.05 1.04 -0.40 0.00 1.01 0.00 0.00 58.87 60.57 3mt5 n SER 729 Cb 0.44 -1.53 -0.03 0.00 -1.01 0.00 0.00 64.21 62.07 3mt5 n SER 729 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mt5 s ALA 730 N -1.25 3.40 0.12 -0.43 0.00 -1.26 -4.93 121.76 117.41 3mt5 s ALA 730 Ca 0.66 1.00 -0.31 0.00 0.00 0.00 0.00 51.96 53.31 3mt5 s ALA 730 Cb -0.46 -3.37 -0.10 0.00 0.00 0.00 0.00 23.12 19.19 3mt5 s ALA 730 CO 0.54 -0.33 1.71 -0.51 0.00 0.00 0.00 175.76 177.16 3mt5 s LEU 731 N -1.69 4.38 0.33 0.00 1.43 -1.26 -4.21 118.68 117.67 3mt5 s LEU 731 Ca 0.47 2.64 0.02 0.00 -1.03 0.00 0.00 54.13 56.23 3mt5 s LEU 731 Cb -0.34 -3.57 0.58 0.00 0.03 0.00 0.00 46.19 42.89 3mt5 s LEU 731 CO 0.44 -0.93 1.96 0.40 0.23 0.00 0.00 176.35 178.45 3mt5 h ILE 732 N 4.52 1.18 -1.91 -0.59 2.04 -1.95 -3.48 117.51 117.31 3mt5 h ILE 732 Ca -0.44 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 64.97 3mt5 h ILE 732 Cb 1.21 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 3mt5 h ILE 732 CO 0.94 0.20 0.00 0.61 0.00 0.00 0.00 178.15 179.90 3mt5 n GLY 733 N -1.26 0.88 0.29 5.37 0.00 -1.26 -4.94 105.19 104.27 3mt5 n GLY 733 Ca 0.05 -0.46 0.17 0.00 0.00 0.00 0.00 46.02 45.78 3mt5 n GLY 733 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3mt5 h LEU 734 N 0.00 0.00 -1.97 0.99 3.38 -1.92 -2.49 115.31 113.30 3mt5 h LEU 734 Ca 0.00 0.00 0.25 0.00 0.09 0.00 0.00 57.88 58.22 3mt5 h LEU 734 Cb 0.65 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 3mt5 h LEU 734 CO 0.00 0.06 0.66 0.08 0.09 0.00 0.00 178.44 179.33 3mt5 h ARG 735 N 0.00 0.00 0.00 1.13 0.11 -1.91 0.48 114.38 114.19 3mt5 h ARG 735 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3mt5 h ARG 735 Cb 0.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.38 3mt5 h ARG 735 CO 0.01 0.00 0.00 -0.91 0.10 0.00 0.00 179.97 179.17 3mt5 h ASN 736 N 0.00 0.00 0.05 0.08 2.35 -1.79 -0.02 115.58 116.25 3mt5 h ASN 736 Ca 0.41 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.79 3mt5 h ASN 736 Cb 1.73 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 40.06 3mt5 h ASN 736 CO -0.00 0.00 -2.15 -0.11 -1.65 0.00 0.00 177.43 173.52 3mt5 n LEU 737 N -2.63 2.60 0.04 1.61 7.94 0.16 -3.88 117.00 122.84 3mt5 n LEU 737 Ca 0.01 0.12 -0.09 0.00 -1.11 0.00 0.00 56.01 54.95 3mt5 n LEU 737 Cb 0.23 -0.99 -0.13 0.00 0.53 0.00 0.00 43.42 43.05 3mt5 n LEU 737 CO 0.22 0.79 -0.10 -0.37 -1.11 0.00 0.00 177.39 176.81 3mt5 h VAL 738 N -0.20 1.40 0.12 1.96 -1.51 -1.28 -3.34 116.25 113.40 3mt5 h VAL 738 Ca -0.50 -3.15 0.02 0.00 -1.23 0.00 0.00 66.70 61.83 3mt5 h VAL 738 Cb 1.86 2.71 -0.03 0.00 -2.13 0.00 0.00 31.29 33.70 3mt5 h VAL 738 CO -0.07 0.81 -0.25 -0.03 -1.23 0.00 0.00 177.57 176.80 3mt5 h MET 739 N 0.01 -0.44 -0.66 5.19 4.05 -1.24 -1.86 114.93 119.97 3mt5 h MET 739 Ca -0.12 0.03 0.15 0.00 -0.28 0.00 0.00 59.70 59.49 3mt5 h MET 739 Cb 1.87 0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 32.73 3mt5 h MET 739 CO 0.12 -0.30 0.46 -1.35 0.23 0.00 0.00 176.91 176.07 3mt5 h PRO 740 N -0.46 0.22 -0.08 0.39 0.11 -1.74 0.32 132.00 130.76 3mt5 h PRO 740 Ca 0.03 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.13 3mt5 h PRO 740 Cb 0.49 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.55 3mt5 h PRO 740 CO -0.14 0.15 0.00 1.28 -0.21 0.00 0.00 178.00 179.07 3mt5 n LEU 741 N -4.43 0.45 -0.55 2.35 4.77 -0.72 -2.97 117.00 115.91 3mt5 n LEU 741 Ca 0.13 -0.22 0.05 0.00 -0.03 0.00 0.00 56.01 55.94 3mt5 n LEU 741 Cb 0.58 -0.05 0.10 0.00 -2.33 0.00 0.00 43.42 41.71 3mt5 n LEU 741 CO 0.35 0.11 0.35 0.54 -1.33 0.00 0.00 177.39 177.41 3mt5 n ARG 742 N -0.31 0.78 -1.92 3.23 5.12 0.11 -4.70 116.66 118.98 3mt5 n ARG 742 Ca 0.06 -2.21 -0.41 0.00 -1.93 0.00 0.00 57.85 53.36 3mt5 n ARG 742 Cb 0.09 -1.00 -0.02 0.00 -1.16 0.00 0.00 32.46 30.37 3mt5 n ARG 742 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3mt5 s ALA 743 N -1.68 3.63 -1.00 7.54 0.00 -1.16 -0.69 121.76 128.39 3mt5 s ALA 743 Ca 0.25 1.44 0.01 0.00 0.00 0.00 0.00 51.96 53.66 3mt5 s ALA 743 Cb 0.24 -3.58 0.06 0.00 0.00 0.00 0.00 23.12 19.84 3mt5 s ALA 743 CO -0.03 -0.86 1.04 -1.13 0.00 0.00 0.00 175.76 174.78 3mt5 n SER 744 N 1.63 0.00 -0.18 0.00 3.41 -0.19 -1.63 113.62 116.67 3mt5 n SER 744 Ca 0.05 0.50 0.10 0.00 -0.26 0.00 0.00 58.87 59.26 3mt5 n SER 744 Cb 0.39 -0.50 0.51 0.00 -0.26 0.00 0.00 64.21 64.36 3mt5 n SER 744 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3mt5 n ASN 745 N -1.50 0.54 -4.90 4.04 6.94 -1.26 -4.74 115.26 114.38 3mt5 n ASN 745 Ca 0.00 -1.49 -0.33 0.00 -0.02 0.00 0.00 54.58 52.74 3mt5 n ASN 745 Cb 0.02 -0.03 -0.05 0.00 -2.36 0.00 0.00 39.78 37.36 3mt5 n ASN 745 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 3mt5 s PHE 746 N -1.94 3.53 0.28 -2.53 0.08 -0.64 -4.88 117.98 111.89 3mt5 s PHE 746 Ca 0.30 0.46 -0.27 0.00 0.12 0.00 0.00 56.93 57.55 3mt5 s PHE 746 Cb 0.15 -1.92 -0.09 0.00 -0.57 0.00 0.00 43.02 40.59 3mt5 s PHE 746 CO 0.24 0.57 0.92 -1.01 -0.10 0.00 0.00 175.22 175.83 3mt5 s HIS 747 N -1.45 3.79 0.13 0.36 3.76 -1.26 -4.93 115.29 115.69 3mt5 s HIS 747 Ca 0.33 1.79 -0.30 0.00 -0.15 0.00 0.00 55.06 56.73 3mt5 s HIS 747 Cb -0.13 -2.91 -0.09 0.00 1.11 0.00 0.00 32.58 30.56 3mt5 s HIS 747 CO 0.22 0.31 1.51 -0.92 -0.85 0.00 0.00 174.74 175.00 3mt5 h TYR 748 N 3.54 -1.64 -0.78 1.40 3.20 -1.97 0.22 116.97 120.94 3mt5 h TYR 748 Ca -0.46 0.09 0.23 0.00 3.14 0.00 0.00 58.73 61.72 3mt5 h TYR 748 Cb 1.19 0.78 -0.03 0.00 1.54 0.00 0.00 36.73 40.22 3mt5 h TYR 748 CO 0.62 -0.43 0.76 1.25 -1.64 0.00 0.00 178.16 178.71 3mt5 h HIS 749 N -0.28 0.00 0.00 -3.82 2.76 -2.06 -1.07 115.15 110.68 3mt5 h HIS 749 Ca 0.09 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.20 3mt5 h HIS 749 Cb 0.51 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.47 3mt5 h HIS 749 CO -0.79 0.00 -0.73 1.49 -1.30 0.00 0.00 177.93 176.60 3mt5 h GLU 750 N 0.00 0.00 -6.63 5.26 4.81 -0.95 -3.47 114.58 113.60 3mt5 h GLU 750 Ca 0.37 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 59.03 3mt5 h GLU 750 Cb 1.88 0.00 0.09 0.00 0.63 0.00 0.00 28.75 31.34 3mt5 h GLU 750 CO -0.00 0.15 0.65 1.28 -0.73 0.00 0.00 179.01 180.36 3mt5 n LEU 751 N -2.93 3.34 -4.70 1.64 4.77 -0.41 -4.94 117.00 113.77 3mt5 n LEU 751 Ca -0.01 1.15 -0.41 0.00 -0.03 0.00 0.00 56.01 56.71 3mt5 n LEU 751 Cb 0.64 -1.46 -0.03 0.00 -2.33 0.00 0.00 43.42 40.23 3mt5 n LEU 751 CO 0.39 -0.39 0.63 -0.54 -1.33 0.00 0.00 177.39 176.15 3mt5 s LYS 752 N -0.54 4.44 0.39 3.23 1.02 -1.26 -5.02 119.74 122.00 3mt5 s LYS 752 Ca 0.66 1.20 -0.27 0.00 0.02 0.00 0.00 55.97 57.59 3mt5 s LYS 752 Cb -0.62 -3.50 -0.09 0.00 -0.52 0.00 0.00 37.83 33.10 3mt5 s LYS 752 CO 0.50 -0.14 1.33 -1.01 -0.92 0.00 0.00 175.35 175.11 3mt5 s HIS 753 N 1.43 2.84 -0.18 3.18 3.76 -1.26 -4.77 115.29 120.29 3mt5 s HIS 753 Ca 0.45 1.38 -0.02 0.00 -0.15 0.00 0.00 55.06 56.72 3mt5 s HIS 753 Cb -0.19 -3.72 -0.01 0.00 1.11 0.00 0.00 32.58 29.77 3mt5 s HIS 753 CO 0.20 -2.16 -0.08 0.42 -0.85 0.00 0.00 174.74 172.27 3mt5 s ILE 754 N -1.21 3.25 -0.21 0.60 1.01 -0.26 -0.71 121.20 123.67 3mt5 s ILE 754 Ca 0.55 -0.56 -0.01 0.00 0.00 0.00 0.00 60.65 60.63 3mt5 s ILE 754 Cb -0.40 -2.43 0.02 0.00 0.01 0.00 0.00 42.46 39.66 3mt5 s ILE 754 CO 0.52 0.47 -0.13 -0.69 0.00 0.00 0.00 174.94 175.11 3mt5 s VAL 755 N 0.94 2.53 0.04 2.92 1.01 -0.17 -0.28 120.40 127.39 3mt5 s VAL 755 Ca -0.01 -0.88 -0.22 0.00 0.00 0.00 0.00 61.98 60.87 3mt5 s VAL 755 Cb -0.15 -2.15 -0.06 0.00 0.00 0.00 0.00 36.38 34.02 3mt5 s VAL 755 CO 0.00 0.42 0.67 -0.36 0.00 0.00 0.00 175.10 175.83 3mt5 s PHE 756 N 1.33 3.75 -0.19 5.22 0.08 0.27 -0.75 117.98 127.69 3mt5 s PHE 756 Ca 0.04 1.35 0.01 0.00 0.12 0.00 0.00 56.93 58.45 3mt5 s PHE 756 Cb -0.14 -2.68 0.04 0.00 -0.57 0.00 0.00 43.02 39.66 3mt5 s PHE 756 CO -0.09 0.38 -0.13 0.08 -0.10 0.00 0.00 175.22 175.37 3mt5 s VAL 757 N -0.39 1.73 -1.62 -0.44 1.01 -0.57 -0.46 120.40 119.66 3mt5 s VAL 757 Ca 0.34 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.36 3mt5 s VAL 757 Cb -0.20 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.46 3mt5 s VAL 757 CO 0.20 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.20 3mt5 n GLY 758 N 4.67 -1.36 3.72 4.51 0.00 -1.18 -1.04 105.19 114.52 3mt5 n GLY 758 Ca -0.16 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 3mt5 n GLY 758 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3mt5 s SER 759 N -3.33 6.68 0.42 1.61 0.15 -1.25 -1.99 113.70 115.98 3mt5 s SER 759 Ca 0.00 2.51 0.22 0.00 0.70 0.00 0.00 55.95 59.37 3mt5 s SER 759 Cb 0.00 -2.59 0.88 0.00 -1.71 0.00 0.00 66.02 62.59 3mt5 s SER 759 CO 0.00 -0.76 1.82 -0.29 1.20 0.00 0.00 173.24 175.21 3mt5 h ILE 760 N 4.11 0.73 -0.47 6.45 6.09 -1.93 -1.65 117.51 130.84 3mt5 h ILE 760 Ca -0.42 -1.22 -0.09 0.00 -1.37 0.00 0.00 64.86 61.76 3mt5 h ILE 760 Cb 1.21 1.78 -0.02 0.00 0.47 0.00 0.00 36.82 40.26 3mt5 h ILE 760 CO 0.90 0.28 -0.05 -0.33 -3.07 0.00 0.00 178.15 175.87 3mt5 h GLU 761 N 0.00 0.86 0.49 2.19 5.08 -1.95 0.26 114.58 121.51 3mt5 h GLU 761 Ca -0.00 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.03 3mt5 h GLU 761 Cb 0.75 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3mt5 h GLU 761 CO 0.04 0.93 -0.24 -0.92 -1.00 0.00 0.00 179.01 177.82 3mt5 h TYR 762 N 0.71 -0.61 -1.01 4.33 3.20 -1.75 -3.31 116.97 118.52 3mt5 h TYR 762 Ca 0.13 -0.01 0.24 0.00 3.14 0.00 0.00 58.73 62.22 3mt5 h TYR 762 Cb 0.57 0.20 -0.12 0.00 1.54 0.00 0.00 36.73 38.93 3mt5 h TYR 762 CO 0.04 -0.38 0.61 -0.07 -1.64 0.00 0.00 178.16 176.72 3mt5 h LEU 763 N -0.86 0.66 -0.96 2.82 3.38 -1.31 0.39 115.31 119.44 3mt5 h LEU 763 Ca -0.07 0.12 0.29 0.00 0.09 0.00 0.00 57.88 58.32 3mt5 h LEU 763 Cb 0.51 0.01 -0.15 0.00 0.09 0.00 0.00 40.66 41.12 3mt5 h LEU 763 CO 0.11 0.14 0.42 0.11 0.09 0.00 0.00 178.44 179.31 3mt5 h LYS 764 N 0.59 0.24 0.40 1.13 1.57 -0.55 -1.21 116.57 118.74 3mt5 h LYS 764 Ca 0.62 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.37 3mt5 h LYS 764 Cb 1.20 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3mt5 h LYS 764 CO -0.43 0.16 -0.19 0.00 -0.57 0.00 0.00 179.45 178.42 3mt5 h ARG 765 N 0.24 -0.52 -0.55 3.15 3.08 -0.33 -2.72 114.38 116.74 3mt5 h ARG 765 Ca 0.67 0.04 0.16 0.00 0.07 0.00 0.00 59.98 60.91 3mt5 h ARG 765 Cb 1.49 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.64 3mt5 h ARG 765 CO -0.65 -0.22 0.53 0.93 -1.07 0.00 0.00 179.97 179.49 3mt5 h GLU 766 N -0.85 0.00 -0.66 0.04 4.39 -1.35 -3.08 114.58 113.07 3mt5 h GLU 766 Ca -0.06 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.71 3mt5 h GLU 766 Cb 0.55 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.16 3mt5 h GLU 766 CO 0.09 0.00 0.43 2.35 -1.16 0.00 0.00 179.01 180.72 3mt5 h TRP 767 N 0.00 0.67 -0.92 4.33 2.91 -0.91 -2.04 115.95 119.98 3mt5 h TRP 767 Ca 0.26 0.02 0.25 0.00 1.13 0.00 0.00 58.89 60.55 3mt5 h TRP 767 Cb 1.32 -0.22 -0.14 0.00 -0.51 0.00 0.00 29.16 29.62 3mt5 h TRP 767 CO 0.00 0.36 0.39 1.49 -1.03 0.00 0.00 178.44 179.65 3mt5 h GLU 768 N 0.67 0.31 -0.02 2.65 4.57 -1.70 0.61 114.58 121.67 3mt5 h GLU 768 Ca 0.28 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.44 3mt5 h GLU 768 Cb 0.26 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 3mt5 h GLU 768 CO -0.09 0.21 -0.18 0.25 -1.18 0.00 0.00 179.01 178.02 3mt5 n THR 769 N -5.10 0.00 0.47 0.32 -2.24 -0.77 -4.00 114.28 102.95 3mt5 n THR 769 Ca 0.25 -0.25 0.07 0.00 -2.27 0.00 0.00 64.05 61.84 3mt5 n THR 769 Cb 0.76 0.78 -0.09 0.00 -2.10 0.00 0.00 70.33 69.68 3mt5 n THR 769 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3mt5 n LEU 770 N 0.07 0.47 0.00 3.22 4.77 0.11 -4.63 117.00 121.01 3mt5 n LEU 770 Ca 0.14 -0.35 0.05 0.00 -0.03 0.00 0.00 56.01 55.82 3mt5 n LEU 770 Cb 0.42 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 41.80 3mt5 n LEU 770 CO 0.22 0.12 0.58 0.00 -1.33 0.00 0.00 177.39 176.97 3mt5 n HIS 771 N -1.53 0.00 0.07 -1.77 1.44 -0.64 -2.10 115.22 110.70 3mt5 n HIS 771 Ca 0.01 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.83 3mt5 n HIS 771 Cb 0.27 -0.15 0.23 0.00 0.12 0.00 0.00 29.99 30.46 3mt5 n HIS 771 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 3mt5 n ASN 772 N -1.15 3.51 -4.45 4.39 3.02 -1.26 -2.97 115.26 116.34 3mt5 n ASN 772 Ca 0.07 -1.97 -0.34 0.00 -0.03 0.00 0.00 54.58 52.30 3mt5 n ASN 772 Cb 0.06 -0.31 -0.13 0.00 -0.61 0.00 0.00 39.78 38.80 3mt5 n ASN 772 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3mt5 s PHE 773 N -1.28 3.01 0.78 3.10 0.08 -0.89 -1.16 117.98 121.62 3mt5 s PHE 773 Ca 0.39 -0.44 -0.13 0.00 0.12 0.00 0.00 56.93 56.87 3mt5 s PHE 773 Cb 0.22 -2.01 0.07 0.00 -0.57 0.00 0.00 43.02 40.72 3mt5 s PHE 773 CO 0.30 -0.17 1.17 -1.25 -0.10 0.00 0.00 175.22 175.17 3mt5 s PRO 774 N 0.71 1.92 -1.30 0.24 0.04 -1.26 -4.14 135.00 131.22 3mt5 s PRO 774 Ca -0.01 1.61 -0.08 0.00 0.04 0.00 0.00 61.00 62.55 3mt5 s PRO 774 Cb -0.14 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.58 3mt5 s PRO 774 CO 0.02 -1.97 1.12 1.63 0.04 0.00 0.00 177.00 177.84 3mt5 n LYS 775 N -3.18 -7.53 -4.97 4.56 5.02 -1.26 -4.89 118.16 105.91 3mt5 n LYS 775 Ca 0.12 0.79 -0.32 0.00 -2.02 0.00 0.00 58.31 56.88 3mt5 n LYS 775 Cb 0.51 -5.72 -0.15 0.00 -0.02 0.00 0.00 35.03 29.65 3mt5 n LYS 775 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3mt5 s VAL 776 N -3.30 2.71 0.06 -0.18 1.01 -1.26 -1.10 120.40 118.33 3mt5 s VAL 776 Ca 0.55 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.69 3mt5 s VAL 776 Cb -0.24 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 3mt5 s VAL 776 CO 0.68 0.55 0.04 -0.94 0.00 0.00 0.00 175.10 175.43 3mt5 s SER 777 N 0.01 0.36 -0.11 3.32 1.04 0.61 -4.90 113.70 114.04 3mt5 s SER 777 Ca -0.06 -0.86 0.01 0.00 0.48 0.00 0.00 55.95 55.53 3mt5 s SER 777 Cb -0.15 0.23 0.02 0.00 0.10 0.00 0.00 66.02 66.22 3mt5 s SER 777 CO 0.05 -0.62 -0.14 -0.63 0.98 0.00 0.00 173.24 172.88 3mt5 s ILE 778 N -3.72 1.44 -0.35 -1.02 1.01 -0.78 -0.57 121.20 117.21 3mt5 s ILE 778 Ca 0.05 -0.60 -0.07 0.00 0.00 0.00 0.00 60.65 60.02 3mt5 s ILE 778 Cb 0.06 -1.32 0.04 0.00 0.01 0.00 0.00 42.46 41.24 3mt5 s ILE 778 CO -0.10 0.43 0.12 -0.22 0.00 0.00 0.00 174.94 175.18 3mt5 s LEU 779 N 1.04 4.40 -0.01 2.97 2.96 0.39 -0.09 118.68 130.36 3mt5 s LEU 779 Ca -0.06 -1.12 -0.30 0.00 -0.22 0.00 0.00 54.13 52.44 3mt5 s LEU 779 Cb -0.15 -1.90 -0.06 0.00 0.50 0.00 0.00 46.19 44.58 3mt5 s LEU 779 CO -0.02 -0.34 1.60 -2.84 -1.32 0.00 0.00 176.35 173.42 3mt5 s PRO 780 N 1.43 4.21 0.00 0.98 0.02 -1.26 -3.10 135.00 137.28 3mt5 s PRO 780 Ca -0.01 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.19 3mt5 s PRO 780 Cb -0.19 -3.78 0.00 0.00 0.02 0.00 0.00 34.50 30.55 3mt5 s PRO 780 CO 0.04 -0.75 0.00 0.41 -0.33 0.00 0.00 177.00 176.36 3mt5 n GLY 781 N 3.98 -0.77 2.93 0.52 0.00 -0.84 -4.88 105.19 106.13 3mt5 n GLY 781 Ca 0.16 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 3mt5 n GLY 781 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3mt5 s THR 782 N -3.79 -0.01 -0.72 2.61 -1.32 -1.26 -3.72 115.64 107.42 3mt5 s THR 782 Ca 0.00 0.04 0.02 0.00 -1.21 0.00 0.00 61.69 60.55 3mt5 s THR 782 Cb 0.00 -0.13 0.02 0.00 -1.51 0.00 0.00 72.50 70.88 3mt5 s THR 782 CO 0.00 0.02 0.98 -2.65 -2.21 0.00 0.00 174.62 170.76 3mt5 n PRO 783 N 3.30 0.01 0.09 7.08 -0.02 -1.26 -0.87 135.00 143.33 3mt5 n PRO 783 Ca -0.16 0.43 0.12 0.00 -2.02 0.00 0.00 63.50 61.87 3mt5 n PRO 783 Cb 0.58 -1.65 0.01 0.00 -0.02 0.00 0.00 33.50 32.42 3mt5 n PRO 783 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3mt5 n LEU 784 N -1.50 0.81 -4.67 2.45 4.77 -1.26 -4.81 117.00 112.79 3mt5 n LEU 784 Ca -0.00 0.30 -0.43 0.00 -0.03 0.00 0.00 56.01 55.85 3mt5 n LEU 784 Cb 0.10 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 3mt5 n LEU 784 CO 0.01 -0.16 1.10 -0.55 -1.33 0.00 0.00 177.39 176.45 3mt5 s SER 785 N -5.19 6.92 0.27 -1.43 0.15 -0.05 -4.90 113.70 109.48 3mt5 s SER 785 Ca 0.00 1.80 0.06 0.00 0.70 0.00 0.00 55.95 58.51 3mt5 s SER 785 Cb 0.10 -2.54 0.36 0.00 -1.71 0.00 0.00 66.02 62.23 3mt5 s SER 785 CO 0.79 -0.75 1.64 0.03 1.20 0.00 0.00 173.24 176.14 3mt5 h ARG 786 N 8.21 0.22 -0.27 5.44 3.08 -1.88 -2.49 114.38 126.70 3mt5 h ARG 786 Ca -0.30 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 59.58 3mt5 h ARG 786 Cb 1.13 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 3mt5 h ARG 786 CO 0.95 0.68 -0.01 0.00 -1.07 0.00 0.00 179.97 180.52 3mt5 h ALA 787 N 1.30 0.36 -0.58 0.04 0.00 -1.95 0.84 119.26 119.26 3mt5 h ALA 787 Ca 0.01 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.74 3mt5 h ALA 787 Cb 0.95 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 3mt5 h ALA 787 CO 0.08 0.10 0.30 -0.44 0.00 0.00 0.00 179.25 179.29 3mt5 h ASP 788 N 0.25 0.44 0.07 0.00 3.32 -1.88 0.11 116.42 118.74 3mt5 h ASP 788 Ca 0.07 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.07 3mt5 h ASP 788 Cb 0.43 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 3mt5 h ASP 788 CO 0.01 0.30 -0.28 -0.07 -1.72 0.00 0.00 179.24 177.48 3mt5 h LEU 789 N 0.58 0.33 -0.36 1.55 4.07 -1.13 -1.67 115.31 118.67 3mt5 h LEU 789 Ca 0.26 -0.11 -0.18 0.00 0.08 0.00 0.00 57.88 57.93 3mt5 h LEU 789 Cb 0.16 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 41.81 3mt5 h LEU 789 CO -0.17 0.61 -0.51 0.03 -1.08 0.00 0.00 178.44 177.31 3mt5 h ARG 790 N 0.29 0.83 -0.40 1.13 3.08 -0.39 -1.67 114.38 117.25 3mt5 h ARG 790 Ca 0.04 -0.50 -0.02 0.00 0.07 0.00 0.00 59.98 59.57 3mt5 h ARG 790 Cb 0.65 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 3mt5 h ARG 790 CO 0.05 1.14 0.17 0.00 -1.07 0.00 0.00 179.97 180.25 3mt5 h ALA 791 N 0.77 0.52 -0.07 0.04 0.00 -0.29 -1.86 119.26 118.36 3mt5 h ALA 791 Ca 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3mt5 h ALA 791 Cb 1.11 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3mt5 h ALA 791 CO 0.11 0.11 0.00 1.33 0.00 0.00 0.00 179.25 180.80 3mt5 n VAL 792 N -4.66 0.15 -3.60 0.00 0.24 -0.67 -3.76 118.33 106.03 3mt5 n VAL 792 Ca -0.00 -0.11 -0.22 0.00 -2.04 0.00 0.00 64.34 61.97 3mt5 n VAL 792 Cb 0.14 -0.10 0.07 0.00 -1.47 0.00 0.00 33.84 32.48 3mt5 n VAL 792 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3mt5 n ASN 793 N -0.19 -3.87 -0.33 -1.34 3.02 -0.70 -4.82 115.26 107.03 3mt5 n ASN 793 Ca 0.03 -0.64 0.14 0.00 -0.03 0.00 0.00 54.58 54.07 3mt5 n ASN 793 Cb 0.14 -4.76 0.35 0.00 -0.61 0.00 0.00 39.78 34.90 3mt5 n ASN 793 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3mt5 h ILE 794 N -2.22 0.73 0.00 2.41 2.10 -1.53 0.10 117.51 119.10 3mt5 h ILE 794 Ca -0.58 -0.25 0.00 0.00 1.08 0.00 0.00 64.86 65.11 3mt5 h ILE 794 Cb 1.36 -0.06 0.00 0.00 -1.09 0.00 0.00 36.82 37.03 3mt5 h ILE 794 CO 0.56 0.13 0.00 -0.55 -1.08 0.00 0.00 178.15 177.21 3mt5 h ASN 795 N 0.72 0.00 -0.07 2.19 -1.07 -1.89 -2.44 115.58 113.03 3mt5 h ASN 795 Ca 0.55 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.92 3mt5 h ASN 795 Cb 0.91 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.16 3mt5 h ASN 795 CO -0.33 0.00 0.00 0.18 0.07 0.00 0.00 177.43 177.35 3mt5 n LEU 796 N -2.63 2.71 -4.89 6.14 4.32 0.35 -5.00 117.00 118.00 3mt5 n LEU 796 Ca 0.01 -0.94 -0.30 0.00 -0.02 0.00 0.00 56.01 54.76 3mt5 n LEU 796 Cb 0.24 -0.03 0.04 0.00 -1.62 0.00 0.00 43.42 42.05 3mt5 n LEU 796 CO 0.22 0.47 0.73 0.00 -1.22 0.00 0.00 177.39 177.59 3mt5 h ASP 798 N -0.57 0.00 -3.32 0.00 3.58 -0.68 -3.43 116.42 112.01 3mt5 h ASP 798 Ca -0.45 -0.01 0.04 0.00 0.42 0.00 0.00 57.03 57.04 3mt5 h ASP 798 Cb 1.25 -0.00 -0.25 0.00 1.72 0.00 0.00 39.33 42.04 3mt5 h ASP 798 CO 0.63 1.00 0.40 -0.32 -2.88 0.00 0.00 179.24 178.08 3mt5 s MET 799 N -2.66 0.56 -0.27 0.28 0.00 -1.15 -4.74 119.30 111.31 3mt5 s MET 799 Ca -0.02 0.67 -0.02 0.00 0.00 0.00 0.00 55.69 56.32 3mt5 s MET 799 Cb 0.09 0.27 0.04 0.00 0.00 0.00 0.00 34.83 35.23 3mt5 s MET 799 CO 0.82 -0.07 -0.03 0.00 0.00 0.00 0.00 175.02 175.75 3mt5 s VAL 801 N 1.29 5.26 -0.25 0.00 1.01 0.64 -1.06 120.40 127.28 3mt5 s VAL 801 Ca -0.03 0.52 -0.02 0.00 0.00 0.00 0.00 61.98 62.46 3mt5 s VAL 801 Cb -0.18 -3.65 0.03 0.00 0.00 0.00 0.00 36.38 32.58 3mt5 s VAL 801 CO -0.03 0.29 -0.06 -0.63 0.00 0.00 0.00 175.10 174.68 3mt5 s ILE 802 N 1.20 2.88 0.04 2.22 1.01 -0.26 -0.21 121.20 128.09 3mt5 s ILE 802 Ca 0.15 -1.06 0.06 0.00 0.00 0.00 0.00 60.65 59.80 3mt5 s ILE 802 Cb -0.14 -2.48 -0.02 0.00 0.01 0.00 0.00 42.46 39.82 3mt5 s ILE 802 CO 0.07 0.17 -0.18 -0.76 0.00 0.00 0.00 174.94 174.24 3mt5 s LEU 803 N 1.32 2.15 0.04 2.97 1.43 -0.38 -1.79 118.68 124.43 3mt5 s LEU 803 Ca -0.00 -0.47 0.07 0.00 -1.03 0.00 0.00 54.13 52.69 3mt5 s LEU 803 Cb -0.17 -0.82 -0.03 0.00 0.03 0.00 0.00 46.19 45.20 3mt5 s LEU 803 CO -0.04 0.12 -0.17 -0.55 0.23 0.00 0.00 176.35 175.94 3mt5 s SER 804 N -1.07 3.91 0.19 2.29 0.15 -1.26 -1.46 113.70 116.45 3mt5 s SER 804 Ca 0.05 -0.40 0.01 0.00 0.70 0.00 0.00 55.95 56.31 3mt5 s SER 804 Cb -0.08 -0.67 -0.04 0.00 -1.71 0.00 0.00 66.02 63.52 3mt5 s SER 804 CO 0.01 0.25 0.35 0.00 1.20 0.00 0.00 173.24 175.06 3mt5 s ALA 805 N -0.95 3.89 -0.75 5.45 0.00 -0.25 -4.94 121.76 124.20 3mt5 s ALA 805 Ca 0.15 -0.93 -0.26 0.00 0.00 0.00 0.00 51.96 50.93 3mt5 s ALA 805 Cb -0.11 -1.90 -0.12 0.00 0.00 0.00 0.00 23.12 20.99 3mt5 s ALA 805 CO 0.06 0.46 2.38 -0.80 0.00 0.00 0.00 175.76 177.85 3mt5 s ASN 806 N -3.25 4.05 -0.03 0.00 0.01 -1.26 -4.84 114.94 109.62 3mt5 s ASN 806 Ca 0.37 0.15 0.03 0.00 -0.71 0.00 0.00 52.86 52.69 3mt5 s ASN 806 Cb -0.11 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 38.97 3mt5 s ASN 806 CO 0.29 -3.67 0.02 0.47 -1.51 0.00 0.00 177.10 172.70 3mt5 n ASP 817 N 17.97 4.24 -0.22 -1.22 8.00 -1.26 -4.61 116.55 139.46 3mt5 n ASP 817 Ca 0.45 0.00 0.12 0.00 0.71 0.00 0.00 54.79 56.07 3mt5 n ASP 817 Cb 0.45 0.64 0.42 0.00 -0.02 0.00 0.00 41.12 42.60 3mt5 n ASP 817 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3mt5 h LYS 818 N 0.00 0.59 0.06 -1.24 1.79 -1.99 -0.23 116.57 115.55 3mt5 h LYS 818 Ca -0.07 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.36 3mt5 h LYS 818 Cb 1.08 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 3mt5 h LYS 818 CO 0.00 0.39 -0.03 0.93 -1.08 0.00 0.00 179.45 179.67 3mt5 h GLU 819 N 0.61 -0.07 0.19 3.15 5.08 -2.03 -1.68 114.58 119.83 3mt5 h GLU 819 Ca 0.39 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.76 3mt5 h GLU 819 Cb 0.67 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 3mt5 h GLU 819 CO -0.16 0.10 -0.14 0.00 -1.00 0.00 0.00 179.01 177.82 3mt5 h ILE 821 N -0.33 0.83 -0.27 0.00 2.04 -1.14 0.91 117.51 119.55 3mt5 h ILE 821 Ca -0.01 -0.09 0.06 0.00 1.00 0.00 0.00 64.86 65.82 3mt5 h ILE 821 Cb 0.29 0.54 -0.06 0.00 -0.74 0.00 0.00 36.82 36.86 3mt5 h ILE 821 CO -0.01 0.05 -0.11 0.25 0.00 0.00 0.00 178.15 178.34 3mt5 h LEU 822 N 0.27 -0.37 -0.43 1.44 5.85 -0.92 0.18 115.31 121.32 3mt5 h LEU 822 Ca 0.20 0.10 0.06 0.00 0.84 0.00 0.00 57.88 59.08 3mt5 h LEU 822 Cb 0.21 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 3mt5 h LEU 822 CO -0.23 -0.14 0.12 0.00 -0.34 0.00 0.00 178.44 177.85 3mt5 h ALA 823 N 1.18 0.50 -0.09 1.25 0.00 0.31 0.57 119.26 122.98 3mt5 h ALA 823 Ca 0.14 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.14 3mt5 h ALA 823 Cb 0.27 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3mt5 h ALA 823 CO -0.31 -0.28 -0.05 1.03 0.00 0.00 0.00 179.25 179.63 3mt5 h SER 824 N 0.27 -0.17 -0.54 0.00 0.87 0.04 -2.21 113.55 111.80 3mt5 h SER 824 Ca 0.21 0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.77 3mt5 h SER 824 Cb 0.23 0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.26 3mt5 h SER 824 CO -0.24 -0.07 0.20 -0.07 -0.53 0.00 0.00 176.83 176.11 3mt5 h LEU 825 N -0.05 0.79 -1.37 2.23 3.38 -0.12 -2.58 115.31 117.59 3mt5 h LEU 825 Ca 0.05 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 3mt5 h LEU 825 Cb 0.13 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3mt5 h LEU 825 CO -0.12 0.74 -0.30 -1.13 0.09 0.00 0.00 178.44 177.72 3mt5 h ASN 826 N 0.84 0.00 -0.04 -0.43 -1.24 -0.44 -2.34 115.58 111.93 3mt5 h ASN 826 Ca 0.19 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 57.13 3mt5 h ASN 826 Cb 0.22 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.27 3mt5 h ASN 826 CO -0.01 0.30 -0.27 0.40 -1.29 0.00 0.00 177.43 176.56 3mt5 h ILE 827 N 0.00 1.46 -0.54 2.57 2.04 -1.03 -3.30 117.51 118.72 3mt5 h ILE 827 Ca -0.00 -1.75 0.03 0.00 1.00 0.00 0.00 64.86 64.13 3mt5 h ILE 827 Cb 0.61 2.46 -0.03 0.00 -0.74 0.00 0.00 36.82 39.13 3mt5 h ILE 827 CO 0.04 0.49 0.35 0.11 0.00 0.00 0.00 178.15 179.15 3mt5 h LYS 828 N -0.30 0.62 -1.04 2.37 1.57 -1.30 -2.24 116.57 116.25 3mt5 h LYS 828 Ca -0.02 -0.04 -0.41 0.00 -1.87 0.00 0.00 60.65 58.31 3mt5 h LYS 828 Cb 0.94 -0.14 -0.23 0.00 0.08 0.00 0.00 32.23 32.88 3mt5 h LYS 828 CO 0.06 0.41 0.52 0.43 -0.57 0.00 0.00 179.45 180.30 3mt5 n SER 829 N -4.47 4.17 -4.65 0.86 7.64 -0.90 -3.06 113.62 113.21 3mt5 n SER 829 Ca 0.06 -3.25 -0.30 0.00 1.01 0.00 0.00 58.87 56.39 3mt5 n SER 829 Cb 0.12 -0.80 -0.09 0.00 -1.01 0.00 0.00 64.21 62.43 3mt5 n SER 829 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 3mt5 s MET 830 N -2.54 2.41 0.09 1.43 0.00 -0.84 -4.98 119.30 114.87 3mt5 s MET 830 Ca 0.44 -0.90 0.07 0.00 0.00 0.00 0.00 55.69 55.29 3mt5 s MET 830 Cb 0.36 -2.46 -0.04 0.00 0.00 0.00 0.00 34.83 32.69 3mt5 s MET 830 CO 0.07 0.53 -0.12 -0.65 0.00 0.00 0.00 175.02 174.84 3mt5 s GLN 831 N -2.30 2.09 0.17 4.11 -0.21 -1.26 -1.21 119.66 121.05 3mt5 s GLN 831 Ca 0.24 -1.03 0.04 0.00 0.02 0.00 0.00 55.36 54.63 3mt5 s GLN 831 Cb -0.11 -2.27 -0.05 0.00 1.00 0.00 0.00 33.01 31.58 3mt5 s GLN 831 CO 0.17 0.51 -0.06 -0.06 -2.12 0.00 0.00 175.29 173.74 3mt5 s PHE 832 N -1.16 1.31 0.00 0.91 0.08 0.20 -4.95 117.98 114.37 3mt5 s PHE 832 Ca 0.20 -0.85 0.00 0.00 0.12 0.00 0.00 56.93 56.39 3mt5 s PHE 832 Cb -0.11 -0.71 0.00 0.00 -0.57 0.00 0.00 43.02 41.63 3mt5 s PHE 832 CO 0.12 -0.01 0.00 -0.25 -0.10 0.00 0.00 175.22 174.98 3mt5 n ASP 833 N -0.26 0.00 0.00 1.36 9.92 -1.26 -1.35 116.55 124.96 3mt5 n ASP 833 Ca -0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.18 3mt5 n ASP 833 Cb 0.62 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.10 3mt5 n ASP 833 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 3mt5 n SER 869 N 9.88 -3.06 -4.71 -2.24 2.88 -1.26 -5.08 113.62 110.03 3mt5 n SER 869 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 3mt5 n SER 869 Cb 0.00 -2.14 -0.03 0.00 -0.75 0.00 0.00 64.21 61.29 3mt5 n SER 869 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 3mt5 s ILE 870 N -0.58 4.77 0.03 2.46 -5.25 -1.26 -5.06 121.20 116.31 3mt5 s ILE 870 Ca 0.00 2.04 0.07 0.00 -0.99 0.00 0.00 60.65 61.76 3mt5 s ILE 870 Cb 0.00 -4.30 -0.03 0.00 2.95 0.00 0.00 42.46 41.07 3mt5 s ILE 870 CO 0.00 0.19 -0.17 -0.89 -1.79 0.00 0.00 174.94 172.27 3mt5 s THR 871 N 0.83 2.84 -0.01 8.37 2.01 -0.46 -4.90 115.64 124.31 3mt5 s THR 871 Ca 0.51 -1.12 -0.09 0.00 0.31 0.00 0.00 61.69 61.31 3mt5 s THR 871 Cb -0.22 -2.18 -0.05 0.00 0.01 0.00 0.00 72.50 70.06 3mt5 s THR 871 CO 0.28 0.37 0.28 0.28 -0.69 0.00 0.00 174.62 175.15 3mt5 s THR 872 N -0.90 5.27 -0.91 -0.82 -1.32 -1.26 0.58 115.64 116.27 3mt5 s THR 872 Ca 0.14 0.35 0.00 0.00 -1.21 0.00 0.00 61.69 60.97 3mt5 s THR 872 Cb -0.11 -3.57 0.00 0.00 -1.51 0.00 0.00 72.50 67.32 3mt5 s THR 872 CO 0.05 0.46 0.50 0.61 -2.21 0.00 0.00 174.62 174.02 3mt5 n GLY 873 N 1.43 1.42 0.17 6.08 0.00 -0.35 -3.95 105.19 109.99 3mt5 n GLY 873 Ca -0.13 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.93 3mt5 n GLY 873 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3mt5 h VAL 874 N 0.01 0.93 -0.90 1.61 2.07 -1.81 -3.30 116.25 114.87 3mt5 h VAL 874 Ca 0.00 -1.74 -0.40 0.00 0.82 0.00 0.00 66.70 65.39 3mt5 h VAL 874 Cb 0.50 2.06 -0.24 0.00 -1.52 0.00 0.00 31.29 32.09 3mt5 h VAL 874 CO 0.00 0.42 0.50 0.59 0.02 0.00 0.00 177.57 179.10 3mt5 n ASN 875 N -3.48 4.22 -4.75 0.57 3.02 -1.25 -4.96 115.26 108.62 3mt5 n ASN 875 Ca 0.00 -3.45 -0.34 0.00 -0.03 0.00 0.00 54.58 50.76 3mt5 n ASN 875 Cb 0.57 -0.80 -0.08 0.00 -0.61 0.00 0.00 39.78 38.86 3mt5 n ASN 875 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3mt5 s ILE 876 N -3.18 4.61 -0.18 2.41 -4.36 -1.24 -5.03 121.20 114.23 3mt5 s ILE 876 Ca 0.56 -0.36 -0.29 0.00 -0.26 0.00 0.00 60.65 60.31 3mt5 s ILE 876 Cb 0.47 -3.06 -0.04 0.00 1.25 0.00 0.00 42.46 41.07 3mt5 s ILE 876 CO 0.12 0.43 1.81 -2.84 0.24 0.00 0.00 174.94 174.70 3mt5 s PRO 877 N -1.48 3.70 0.02 0.37 0.02 -1.26 -4.97 135.00 131.39 3mt5 s PRO 877 Ca 0.20 1.90 0.06 0.00 0.02 0.00 0.00 61.00 63.18 3mt5 s PRO 877 Cb -0.12 -4.14 -0.02 0.00 0.02 0.00 0.00 34.50 30.25 3mt5 s PRO 877 CO 0.10 -1.43 -0.19 0.42 -0.33 0.00 0.00 177.00 175.57 3mt5 s ILE 878 N 5.80 1.51 -0.06 2.83 1.01 -1.26 -0.55 121.20 130.47 3mt5 s ILE 878 Ca 0.81 -1.00 -0.01 0.00 0.00 0.00 0.00 60.65 60.45 3mt5 s ILE 878 Cb -0.30 -1.29 0.03 0.00 0.01 0.00 0.00 42.46 40.91 3mt5 s ILE 878 CO 0.33 0.27 -0.01 -0.51 0.00 0.00 0.00 174.94 175.02 3mt5 s ILE 879 N -0.65 0.41 -0.12 2.92 2.07 -0.22 -4.47 121.20 121.13 3mt5 s ILE 879 Ca 0.07 0.06 -0.00 0.00 -1.41 0.00 0.00 60.65 59.36 3mt5 s ILE 879 Cb -0.08 -0.53 -0.02 0.00 0.13 0.00 0.00 42.46 41.96 3mt5 s ILE 879 CO 0.01 0.25 -0.10 -0.89 -1.91 0.00 0.00 174.94 172.29 3mt5 s THR 880 N 1.69 3.32 -0.24 4.00 2.01 -0.97 -1.10 115.64 124.35 3mt5 s THR 880 Ca 0.01 -0.58 -0.15 0.00 0.31 0.00 0.00 61.69 61.28 3mt5 s THR 880 Cb -0.13 -2.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.95 3mt5 s THR 880 CO -0.04 0.53 0.37 -0.70 -0.69 0.00 0.00 174.62 174.10 3mt5 s GLU 881 N 0.11 4.08 0.01 4.92 -6.30 -0.74 -1.88 118.70 118.91 3mt5 s GLU 881 Ca -0.05 0.09 0.01 0.00 -2.50 0.00 0.00 54.97 52.53 3mt5 s GLU 881 Cb -0.14 -3.60 -0.04 0.00 0.00 0.00 0.00 34.13 30.35 3mt5 s GLU 881 CO 0.04 -0.17 0.05 -0.51 0.02 0.00 0.00 175.26 174.70 3mt5 s LEU 882 N 1.72 3.76 -0.10 2.70 1.43 0.10 -4.71 118.68 123.58 3mt5 s LEU 882 Ca 0.16 0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.37 3mt5 s LEU 882 Cb -0.15 -2.22 -0.24 0.00 0.03 0.00 0.00 46.19 43.61 3mt5 s LEU 882 CO 0.09 0.26 0.42 0.52 0.23 0.00 0.00 176.35 177.87 3mt5 n VAL 883 N 1.13 1.66 -3.85 -1.59 0.31 -1.26 -3.93 118.33 110.80 3mt5 n VAL 883 Ca -0.13 -0.73 -0.36 0.00 -0.01 0.00 0.00 64.34 63.12 3mt5 n VAL 883 Cb 0.52 -1.32 -0.13 0.00 -0.91 0.00 0.00 33.84 32.00 3mt5 n VAL 883 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3mt5 s ASN 884 N -6.48 4.62 0.15 4.52 -0.87 -1.26 -4.90 114.94 110.72 3mt5 s ASN 884 Ca -0.15 -0.44 -0.26 0.00 -1.57 0.00 0.00 52.86 50.44 3mt5 s ASN 884 Cb 0.07 -1.80 0.00 0.00 -0.02 0.00 0.00 41.25 39.51 3mt5 s ASN 884 CO 0.79 -0.06 1.60 0.44 -2.57 0.00 0.00 177.10 177.29 3mt5 h ASP 885 N 8.15 -1.14 -1.07 -1.22 5.19 -2.00 -3.05 116.42 121.28 3mt5 h ASP 885 Ca -0.39 0.18 0.29 0.00 -0.62 0.00 0.00 57.03 56.49 3mt5 h ASP 885 Cb 1.15 0.50 -0.07 0.00 0.18 0.00 0.00 39.33 41.09 3mt5 h ASP 885 CO 0.60 -0.36 0.72 0.71 -3.12 0.00 0.00 179.24 177.79 3mt5 h THR 886 N -0.36 0.49 -1.35 0.35 1.35 -1.95 -1.05 112.91 110.40 3mt5 h THR 886 Ca 0.12 -0.08 -0.68 0.00 -0.55 0.00 0.00 66.41 65.23 3mt5 h THR 886 Cb 0.56 0.25 -0.26 0.00 -1.73 0.00 0.00 68.15 66.97 3mt5 h THR 886 CO -0.45 0.04 0.88 -0.46 -0.25 0.00 0.00 175.52 175.28 3mt5 n ASN 887 N -4.45 7.47 0.05 5.36 0.23 -1.15 -3.73 115.26 119.04 3mt5 n ASN 887 Ca 0.24 -3.71 0.12 0.00 -0.53 0.00 0.00 54.58 50.70 3mt5 n ASN 887 Cb 1.00 -1.04 0.20 0.00 -2.08 0.00 0.00 39.78 37.86 3mt5 n ASN 887 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 3mt5 n VAL 888 N -0.55 0.29 -0.34 3.53 3.14 -0.40 -4.10 118.33 119.88 3mt5 n VAL 888 Ca 0.56 -0.22 0.27 0.00 -2.96 0.00 0.00 64.34 62.00 3mt5 n VAL 888 Cb 0.48 -0.08 0.58 0.00 -1.06 0.00 0.00 33.84 33.76 3mt5 n VAL 888 CO 0.00 0.00 0.00 1.56 -6.46 0.00 0.00 176.83 171.93 3mt5 h GLN 889 N 0.00 0.26 -0.00 1.45 4.20 -1.82 -1.87 115.11 117.33 3mt5 h GLN 889 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3mt5 h GLN 889 Cb 0.70 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.42 3mt5 h GLN 889 CO 0.00 0.17 -0.29 1.19 -0.67 0.00 0.00 178.83 179.23 3mt5 n PHE 890 N -4.55 0.00 -0.10 2.96 3.72 -1.26 -4.18 117.46 114.04 3mt5 n PHE 890 Ca 0.27 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.53 3mt5 n PHE 890 Cb 1.04 -0.25 -0.03 0.00 -0.94 0.00 0.00 39.48 39.30 3mt5 n PHE 890 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3mt5 h LEU 891 N 0.38 1.00 -8.34 4.37 3.38 -1.60 -3.45 115.31 111.04 3mt5 h LEU 891 Ca 0.00 -0.49 -0.19 0.00 0.09 0.00 0.00 57.88 57.28 3mt5 h LEU 891 Cb 0.47 -0.28 -0.16 0.00 0.09 0.00 0.00 40.66 40.78 3mt5 h LEU 891 CO 0.00 1.30 -0.69 1.51 0.09 0.00 0.00 178.44 180.64 3mt5 s ASP 892 N -6.89 0.88 -0.14 -0.43 1.47 -1.26 -4.89 116.67 105.40 3mt5 s ASP 892 Ca -0.11 -0.95 0.03 0.00 1.18 0.00 0.00 52.55 52.70 3mt5 s ASP 892 Cb 0.11 0.12 -0.23 0.00 -0.34 0.00 0.00 42.92 42.58 3mt5 s ASP 892 CO 0.89 -0.48 0.29 0.00 0.68 0.00 0.00 175.17 176.55 3mt5 n GLN 893 N 0.19 0.70 -0.06 2.11 1.13 -1.26 -4.20 117.38 115.99 3mt5 n GLN 893 Ca -0.14 0.22 0.04 0.00 -1.94 0.00 0.00 57.00 55.18 3mt5 n GLN 893 Cb 0.60 -1.67 0.16 0.00 0.11 0.00 0.00 30.24 29.44 3mt5 n GLN 893 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3mt5 n ASP 894 N -3.24 0.67 -4.00 1.08 5.68 -1.26 -4.87 116.55 110.61 3mt5 n ASP 894 Ca -0.31 -1.88 -0.16 0.00 -0.50 0.00 0.00 54.79 51.93 3mt5 n ASP 894 Cb 1.05 -0.07 0.08 0.00 -1.14 0.00 0.00 41.12 41.03 3mt5 n ASP 894 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3mt5 n ASP 895 N -0.19 1.20 -4.06 -1.12 5.75 -1.26 -5.07 116.55 111.81 3mt5 n ASP 895 Ca 0.07 -1.95 -0.34 0.00 -0.01 0.00 0.00 54.79 52.56 3mt5 n ASP 895 Cb 0.12 -0.42 -0.12 0.00 -1.03 0.00 0.00 41.12 39.67 3mt5 n ASP 895 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3mt5 s ASP 896 N -3.90 4.96 0.02 -1.12 2.15 -1.26 -5.08 116.67 112.43 3mt5 s ASP 896 Ca 0.48 -2.61 -0.26 0.00 0.43 0.00 0.00 52.55 50.59 3mt5 s ASP 896 Cb -0.03 -1.77 -0.05 0.00 -0.30 0.00 0.00 42.92 40.78 3mt5 s ASP 896 CO 0.31 -0.38 0.82 -1.81 -0.17 0.00 0.00 175.17 173.95 3mt5 s ASP 897 N 0.75 7.23 -0.08 -0.34 1.01 -1.26 -4.97 116.67 119.01 3mt5 s ASP 897 Ca 0.14 1.48 -0.03 0.00 0.71 0.00 0.00 52.55 54.84 3mt5 s ASP 897 Cb -0.22 -2.49 0.04 0.00 1.01 0.00 0.00 42.92 41.26 3mt5 s ASP 897 CO -0.03 -0.08 0.17 -0.62 0.21 0.00 0.00 175.17 174.82 3mt5 s ASP 898 N 0.37 -0.02 0.00 0.27 -1.08 -1.26 -5.07 116.67 109.88 3mt5 s ASP 898 Ca 0.42 0.37 0.22 0.00 -0.52 0.00 0.00 52.55 53.03 3mt5 s ASP 898 Cb -0.20 0.27 1.07 0.00 -1.46 0.00 0.00 42.92 42.60 3mt5 s ASP 898 CO 0.24 -0.17 1.69 -2.65 0.52 0.00 0.00 175.17 174.80 3mt5 n PRO 899 N 4.40 0.28 0.00 4.34 -0.02 -1.26 -2.81 135.00 139.92 3mt5 n PRO 899 Ca -0.23 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 3mt5 n PRO 899 Cb 0.52 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 3mt5 n PRO 899 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3mt5 n ASP 900 N -1.31 0.69 -4.64 2.55 5.68 -1.26 -4.87 116.55 113.39 3mt5 n ASP 900 Ca 0.10 -1.14 -0.42 0.00 -0.50 0.00 0.00 54.79 52.82 3mt5 n ASP 900 Cb 0.18 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.13 3mt5 n ASP 900 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3mt5 s THR 901 N -0.14 3.34 0.51 2.12 2.01 -1.12 -4.93 115.64 117.42 3mt5 s THR 901 Ca 0.00 0.39 -0.22 0.00 0.31 0.00 0.00 61.69 62.17 3mt5 s THR 901 Cb 0.00 -3.31 -0.07 0.00 0.01 0.00 0.00 72.50 69.13 3mt5 s THR 901 CO 0.00 -0.10 1.17 -0.62 -0.69 0.00 0.00 174.62 174.38 3mt5 n GLU 902 N 7.70 1.48 -0.28 4.92 4.71 -1.26 -4.83 120.64 133.08 3mt5 n GLU 902 Ca 0.21 0.54 0.03 0.00 -0.01 0.00 0.00 57.16 57.93 3mt5 n GLU 902 Cb 0.43 -2.33 0.12 0.00 -1.01 0.00 0.00 31.44 28.65 3mt5 n GLU 902 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 3mt5 h LEU 903 N 1.35 -0.69 -0.63 -4.62 5.85 -1.94 -0.13 115.31 114.50 3mt5 h LEU 903 Ca -0.48 0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.47 3mt5 h LEU 903 Cb 1.32 0.48 0.00 0.00 0.37 0.00 0.00 40.66 42.83 3mt5 h LEU 903 CO 0.56 -0.26 0.02 0.00 -0.34 0.00 0.00 178.44 178.42 3mt5 n TYR 904 N -5.50 0.32 0.90 1.25 0.18 -1.26 -1.33 117.16 111.72 3mt5 n TYR 904 Ca 0.12 0.17 0.10 0.00 1.88 0.00 0.00 57.90 60.17 3mt5 n TYR 904 Cb 0.43 -0.75 -0.12 0.00 -0.38 0.00 0.00 39.34 38.52 3mt5 n TYR 904 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 3mt5 n LEU 905 N -1.83 0.90 -4.79 -3.48 4.77 -0.06 -4.45 117.00 108.06 3mt5 n LEU 905 Ca -0.01 -0.46 -0.34 0.00 -0.03 0.00 0.00 56.01 55.17 3mt5 n LEU 905 Cb 0.04 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.11 3mt5 n LEU 905 CO 0.04 0.22 0.75 0.42 -1.33 0.00 0.00 177.39 177.50 3mt5 s THR 906 N -2.98 3.47 0.12 -5.08 -4.23 -0.44 -4.87 115.64 101.62 3mt5 s THR 906 Ca 0.07 0.89 -0.24 0.00 -1.18 0.00 0.00 61.69 61.23 3mt5 s THR 906 Cb 0.15 -3.36 -0.05 0.00 1.34 0.00 0.00 72.50 70.59 3mt5 s THR 906 CO 0.85 -0.22 1.67 -0.61 -0.54 0.00 0.00 174.62 175.77 3mt5 h GLN 907 N 1.28 -0.24 -0.86 3.99 4.15 -1.93 -1.74 115.11 119.76 3mt5 h GLN 907 Ca -0.50 0.02 0.19 0.00 0.77 0.00 0.00 58.65 59.14 3mt5 h GLN 907 Cb 1.24 0.06 -0.11 0.00 0.21 0.00 0.00 27.48 28.87 3mt5 h GLN 907 CO 0.58 -0.16 0.38 -1.35 -1.93 0.00 0.00 178.83 176.34 3mt5 h PRO 908 N -0.25 0.43 -0.04 -2.39 0.11 -1.93 0.22 132.00 128.14 3mt5 h PRO 908 Ca 0.07 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 3mt5 h PRO 908 Cb 0.35 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.36 3mt5 h PRO 908 CO -0.19 0.28 -0.03 0.35 -0.21 0.00 0.00 178.00 178.20 3mt5 h PHE 909 N 0.44 0.11 -0.48 0.65 3.57 -1.74 0.03 116.94 119.52 3mt5 h PHE 909 Ca 0.52 -0.03 0.14 0.00 3.53 0.00 0.00 57.97 62.12 3mt5 h PHE 909 Cb 0.92 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 3mt5 h PHE 909 CO -0.14 0.52 0.34 0.00 -2.23 0.00 0.00 178.31 176.81 3mt5 h ALA 910 N 0.57 2.43 -0.01 2.41 0.00 -0.53 -0.45 119.26 123.67 3mt5 h ALA 910 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3mt5 h ALA 910 Cb 0.50 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3mt5 h ALA 910 CO 0.01 -0.56 -0.11 0.00 0.00 0.00 0.00 179.25 178.59 3mt5 n GLY 912 N 1.26 0.08 0.00 0.00 0.00 -0.18 -4.50 105.19 101.85 3mt5 n GLY 912 Ca 0.16 -0.29 0.05 0.00 0.00 0.00 0.00 46.02 45.94 3mt5 n GLY 912 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3mt5 n THR 913 N -3.88 0.00 -4.04 2.61 -1.04 -0.05 -4.35 114.28 103.53 3mt5 n THR 913 Ca -0.05 -0.26 -0.12 0.00 -2.04 0.00 0.00 64.05 61.58 3mt5 n THR 913 Cb 0.56 0.81 -0.12 0.00 -1.82 0.00 0.00 70.33 69.76 3mt5 n THR 913 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3mt5 s ALA 914 N -2.14 0.41 -0.06 2.41 0.00 -1.18 -2.29 121.76 118.91 3mt5 s ALA 914 Ca 0.02 -0.62 -0.03 0.00 0.00 0.00 0.00 51.96 51.33 3mt5 s ALA 914 Cb 0.07 0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.28 3mt5 s ALA 914 CO 0.41 -0.04 0.14 0.12 0.00 0.00 0.00 175.76 176.39 3mt5 s PHE 915 N -1.18 -0.15 0.23 0.00 5.36 -0.79 -4.67 117.98 116.78 3mt5 s PHE 915 Ca -0.10 0.44 0.11 0.00 -0.96 0.00 0.00 56.93 56.43 3mt5 s PHE 915 Cb -0.09 -0.06 -0.05 0.00 -0.34 0.00 0.00 43.02 42.49 3mt5 s PHE 915 CO -0.00 -0.14 -0.20 0.00 -1.46 0.00 0.00 175.22 173.41 3mt5 s ALA 916 N 0.92 2.68 0.27 11.12 0.00 -1.26 0.01 121.76 135.50 3mt5 s ALA 916 Ca -0.07 -1.72 0.04 0.00 0.00 0.00 0.00 51.96 50.21 3mt5 s ALA 916 Cb -0.09 -0.35 0.36 0.00 0.00 0.00 0.00 23.12 23.03 3mt5 s ALA 916 CO -0.05 0.37 1.65 0.28 0.00 0.00 0.00 175.76 178.01 3mt5 h VAL 917 N 2.76 1.32 -1.32 0.00 2.07 -1.91 -3.03 116.25 116.14 3mt5 h VAL 917 Ca -0.44 -1.62 0.39 0.00 0.82 0.00 0.00 66.70 65.85 3mt5 h VAL 917 Cb 1.23 1.72 -0.09 0.00 -1.52 0.00 0.00 31.29 32.63 3mt5 h VAL 917 CO 0.54 0.49 0.90 0.77 0.02 0.00 0.00 177.57 180.29 3mt5 h SER 918 N 0.26 0.17 -0.43 0.57 4.64 -1.90 0.67 113.55 117.53 3mt5 h SER 918 Ca 0.02 0.06 0.05 0.00 -0.47 0.00 0.00 61.79 61.44 3mt5 h SER 918 Cb 0.90 0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.00 3mt5 h SER 918 CO 0.07 -0.03 0.29 0.58 -0.87 0.00 0.00 176.83 176.87 3mt5 h VAL 919 N 0.12 1.00 0.00 0.95 2.07 -1.96 -1.61 116.25 116.82 3mt5 h VAL 919 Ca 0.70 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 68.09 3mt5 h VAL 919 Cb 2.42 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 3mt5 h VAL 919 CO -0.19 0.07 0.00 0.18 0.02 0.00 0.00 177.57 177.65 3mt5 n LEU 920 N -4.48 0.00 -0.05 2.57 4.77 0.23 -3.21 117.00 116.83 3mt5 n LEU 920 Ca 0.05 0.02 -0.14 0.00 -0.03 0.00 0.00 56.01 55.90 3mt5 n LEU 920 Cb 0.20 -0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.21 3mt5 n LEU 920 CO 0.35 -0.00 0.48 0.44 -1.33 0.00 0.00 177.39 177.33 3mt5 h ASP 921 N 0.00 0.59 0.42 -1.43 3.32 -1.37 -3.12 116.42 114.84 3mt5 h ASP 921 Ca 0.00 -0.56 0.00 0.00 0.02 0.00 0.00 57.03 56.49 3mt5 h ASP 921 Cb 0.02 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.40 3mt5 h ASP 921 CO 0.00 1.04 0.00 -1.54 -1.72 0.00 0.00 179.24 177.02 3mt5 n SER 922 N -4.32 0.54 0.21 6.45 3.41 -1.20 -0.21 113.62 118.50 3mt5 n SER 922 Ca -0.06 0.68 0.07 0.00 -0.26 0.00 0.00 58.87 59.29 3mt5 n SER 922 Cb 0.50 -0.77 0.47 0.00 -0.26 0.00 0.00 64.21 64.15 3mt5 n SER 922 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3mt5 h LEU 923 N 0.00 0.00 0.01 1.04 5.85 -1.71 -2.59 115.31 117.91 3mt5 h LEU 923 Ca 0.00 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.75 3mt5 h LEU 923 Cb 0.21 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 3mt5 h LEU 923 CO 0.00 0.28 -0.36 -0.03 -0.34 0.00 0.00 178.44 177.99 3mt5 h MET 924 N 0.00 -0.50 -0.14 1.25 4.05 -0.71 -1.15 114.93 117.73 3mt5 h MET 924 Ca -0.00 0.03 -0.18 0.00 -0.28 0.00 0.00 59.70 59.27 3mt5 h MET 924 Cb 0.63 0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 31.54 3mt5 h MET 924 CO 0.04 -0.33 -0.65 0.77 0.23 0.00 0.00 176.91 176.97 3mt5 h SER 925 N -0.52 0.60 -0.95 1.39 0.02 -1.71 -2.66 113.55 109.73 3mt5 h SER 925 Ca 0.05 -0.36 0.06 0.00 -0.84 0.00 0.00 61.79 60.70 3mt5 h SER 925 Cb 0.60 -0.18 -0.06 0.00 0.14 0.00 0.00 62.40 62.90 3mt5 h SER 925 CO -0.28 1.09 0.61 0.00 -1.14 0.00 0.00 176.83 177.11 3mt5 h ALA 926 N 0.91 1.30 0.00 3.77 0.00 -1.18 -1.60 119.26 122.46 3mt5 h ALA 926 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3mt5 h ALA 926 Cb 1.21 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3mt5 h ALA 926 CO 0.12 0.41 -0.29 0.00 0.00 0.00 0.00 179.25 179.48 3mt5 h THR 927 N 1.12 0.00 0.12 0.00 1.03 -1.11 -1.63 112.91 112.44 3mt5 h THR 927 Ca 0.40 -0.83 -0.01 0.00 -0.01 0.00 0.00 66.41 65.97 3mt5 h THR 927 Cb 0.13 1.67 0.00 0.00 -1.07 0.00 0.00 68.15 68.88 3mt5 h THR 927 CO -0.16 0.00 -0.06 0.22 -0.01 0.00 0.00 175.52 175.51 3mt5 h TYR 928 N 0.00 -0.15 -0.05 0.00 3.20 -0.96 -2.96 116.97 116.05 3mt5 h TYR 928 Ca 0.00 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.75 3mt5 h TYR 928 Cb 0.92 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.22 3mt5 h TYR 928 CO 0.00 0.07 -0.50 0.74 -1.64 0.00 0.00 178.16 176.83 3mt5 h PHE 929 N -0.35 0.17 -1.75 -3.82 0.04 -1.30 -3.41 116.94 106.52 3mt5 h PHE 929 Ca -0.02 -0.05 -0.23 0.00 2.80 0.00 0.00 57.97 60.47 3mt5 h PHE 929 Cb 0.28 -0.03 -0.29 0.00 2.20 0.00 0.00 35.95 38.11 3mt5 h PHE 929 CO -0.01 0.61 -0.57 1.21 -0.60 0.00 0.00 178.31 178.95 3mt5 s ASN 930 N -6.88 0.54 0.30 2.17 3.84 -0.62 -5.01 114.94 109.28 3mt5 s ASN 930 Ca -0.03 -0.69 0.03 0.00 0.21 0.00 0.00 52.86 52.38 3mt5 s ASN 930 Cb 0.13 1.00 0.75 0.00 -0.55 0.00 0.00 41.25 42.58 3mt5 s ASN 930 CO 0.77 -0.33 1.61 -0.78 -2.79 0.00 0.00 177.10 175.58 3mt5 h ASP 931 N 7.88 -0.21 0.25 -4.21 3.58 -1.76 -2.87 116.42 119.09 3mt5 h ASP 931 Ca -0.05 0.24 -0.09 0.00 0.42 0.00 0.00 57.03 57.54 3mt5 h ASP 931 Cb 1.11 0.37 -0.01 0.00 1.72 0.00 0.00 39.33 42.51 3mt5 h ASP 931 CO 0.25 -0.27 -0.37 0.78 -2.88 0.00 0.00 179.24 176.75 3mt5 h ASN 932 N 0.10 0.17 -0.84 2.28 4.21 -1.94 -2.76 115.58 116.80 3mt5 h ASN 932 Ca 0.58 -0.06 0.11 0.00 1.21 0.00 0.00 56.30 58.13 3mt5 h ASN 932 Cb 1.22 -0.05 -0.08 0.00 -1.12 0.00 0.00 38.32 38.29 3mt5 h ASN 932 CO -0.78 0.53 0.47 0.40 -1.29 0.00 0.00 177.43 176.77 3mt5 h ILE 933 N 0.15 0.87 0.65 2.81 1.08 -1.86 -0.69 117.51 120.53 3mt5 h ILE 933 Ca 0.02 -0.26 -0.03 0.00 -0.39 0.00 0.00 64.86 64.19 3mt5 h ILE 933 Cb 0.73 0.04 0.01 0.00 -3.07 0.00 0.00 36.82 34.52 3mt5 h ILE 933 CO 0.05 0.14 -0.31 0.25 -0.69 0.00 0.00 178.15 177.59 3mt5 h LEU 934 N 0.77 -0.74 -2.21 1.44 5.85 -1.63 -0.83 115.31 117.96 3mt5 h LEU 934 Ca 0.42 0.01 0.03 0.00 0.84 0.00 0.00 57.88 59.18 3mt5 h LEU 934 Cb 0.43 0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 3mt5 h LEU 934 CO -0.27 -0.51 0.08 0.71 -0.34 0.00 0.00 178.44 178.11 3mt5 h THR 935 N -0.91 0.71 0.30 1.05 1.35 -1.47 0.48 112.91 114.43 3mt5 h THR 935 Ca -0.09 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.76 3mt5 h THR 935 Cb 0.68 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 3mt5 h THR 935 CO 0.15 0.00 -0.15 0.25 -0.25 0.00 0.00 175.52 175.52 3mt5 h LEU 936 N 0.00 -0.34 -0.52 3.87 5.85 -0.82 -1.28 115.31 122.07 3mt5 h LEU 936 Ca 0.04 -0.19 0.10 0.00 0.84 0.00 0.00 57.88 58.67 3mt5 h LEU 936 Cb 0.19 0.09 -0.10 0.00 0.37 0.00 0.00 40.66 41.21 3mt5 h LEU 936 CO -0.00 0.10 -0.20 0.40 -0.34 0.00 0.00 178.44 178.40 3mt5 h ILE 937 N -0.89 0.37 -0.05 4.05 1.08 -0.38 0.65 117.51 122.34 3mt5 h ILE 937 Ca -0.04 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.46 3mt5 h ILE 937 Cb 0.52 0.37 -0.03 0.00 -3.07 0.00 0.00 36.82 34.60 3mt5 h ILE 937 CO 0.07 0.00 -0.14 -0.09 -0.69 0.00 0.00 178.15 177.30 3mt5 h ARG 938 N -0.08 -0.20 -0.89 2.37 2.43 -0.99 0.72 114.38 117.76 3mt5 h ARG 938 Ca 0.25 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.48 3mt5 h ARG 938 Cb 0.46 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.00 3mt5 h ARG 938 CO -0.58 -0.13 0.58 1.15 -1.51 0.00 0.00 179.97 179.48 3mt5 h THR 939 N -0.20 1.09 -0.05 0.20 2.02 0.04 -2.06 112.91 113.95 3mt5 h THR 939 Ca 0.07 -0.36 -0.21 0.00 0.77 0.00 0.00 66.41 66.68 3mt5 h THR 939 Cb 0.29 -0.04 0.01 0.00 -1.74 0.00 0.00 68.15 66.68 3mt5 h THR 939 CO -0.17 0.19 -0.78 0.25 0.37 0.00 0.00 175.52 175.38 3mt5 h LEU 940 N 1.04 0.77 0.09 2.58 5.85 -0.35 -3.31 115.31 121.98 3mt5 h LEU 940 Ca 0.37 -0.71 -0.26 0.00 0.84 0.00 0.00 57.88 58.13 3mt5 h LEU 940 Cb 0.14 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 3mt5 h LEU 940 CO -0.13 1.37 -1.23 0.58 -0.34 0.00 0.00 178.44 178.69 3mt5 h VAL 941 N 0.25 1.50 -0.06 1.05 2.07 -0.48 -3.25 116.25 117.33 3mt5 h VAL 941 Ca -0.08 -3.12 0.00 0.00 0.82 0.00 0.00 66.70 64.32 3mt5 h VAL 941 Cb 1.44 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 34.10 3mt5 h VAL 941 CO 0.16 0.90 0.00 0.35 0.02 0.00 0.00 177.57 178.99 3mt5 n THR 942 N -3.46 0.05 0.00 2.57 -2.24 -0.81 -4.64 114.28 105.74 3mt5 n THR 942 Ca -0.07 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 3mt5 n THR 942 Cb 1.01 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 70.23 3mt5 n THR 942 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mt5 n GLY 943 N 1.28 1.58 0.71 3.38 0.00 -1.23 -4.23 105.19 106.67 3mt5 n GLY 943 Ca 0.17 -0.65 -0.04 0.00 0.00 0.00 0.00 46.02 45.50 3mt5 n GLY 943 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mt5 n GLY 944 N 0.00 3.53 3.11 -0.02 0.00 -1.26 -4.69 105.19 105.87 3mt5 n GLY 944 Ca 0.00 -1.63 -0.09 0.00 0.00 0.00 0.00 46.02 44.30 3mt5 n GLY 944 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mt5 s ALA 945 N -2.16 0.69 0.00 4.61 0.00 -1.26 -4.93 121.76 118.71 3mt5 s ALA 945 Ca 0.08 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.84 3mt5 s ALA 945 Cb 0.00 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.32 3mt5 s ALA 945 CO 0.06 -0.28 0.00 -0.11 0.00 0.00 0.00 175.76 175.43 3mt5 n LEU 949 N 0.23 0.00 0.32 0.00 7.94 -1.26 -5.01 117.00 119.22 3mt5 n LEU 949 Ca -0.14 0.00 0.22 0.00 -1.11 0.00 0.00 56.01 54.97 3mt5 n LEU 949 Cb 0.60 0.00 1.14 0.00 0.53 0.00 0.00 43.42 45.70 3mt5 n LEU 949 CO 0.28 0.00 1.15 -0.33 -1.11 0.00 0.00 177.39 177.37 3mt5 h GLU 950 N 2.35 0.00 -0.11 1.96 5.08 -2.01 -2.83 114.58 119.02 3mt5 h GLU 950 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 3mt5 h GLU 950 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3mt5 h GLU 950 CO 0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 179.01 177.79 3mt5 h ALA 951 N 2.00 0.18 -0.17 3.43 0.00 -1.99 -3.04 119.26 119.66 3mt5 h ALA 951 Ca 0.00 -0.38 -0.22 0.00 0.00 0.00 0.00 54.91 54.31 3mt5 h ALA 951 Cb 0.02 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.79 3mt5 h ALA 951 CO 0.00 0.14 -0.76 1.25 0.00 0.00 0.00 179.25 179.88 3mt5 h LEU 952 N -0.08 0.96 -1.24 0.00 5.85 -1.94 -3.00 115.31 115.85 3mt5 h LEU 952 Ca 0.00 -0.62 -0.05 0.00 0.84 0.00 0.00 57.88 58.05 3mt5 h LEU 952 Cb 0.81 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 3mt5 h LEU 952 CO 0.05 1.42 -0.05 0.40 -0.34 0.00 0.00 178.44 179.92 3mt5 h ILE 953 N 0.55 1.20 -0.45 4.05 1.08 -1.70 -2.40 117.51 119.84 3mt5 h ILE 953 Ca -0.05 -0.82 -0.01 0.00 -0.39 0.00 0.00 64.86 63.59 3mt5 h ILE 953 Cb 1.39 1.04 -0.02 0.00 -3.07 0.00 0.00 36.82 36.15 3mt5 h ILE 953 CO 0.16 0.27 0.24 0.00 -0.69 0.00 0.00 178.15 178.13 3mt5 h ALA 954 N 1.52 1.57 0.01 1.87 0.00 -1.43 -0.77 119.26 122.03 3mt5 h ALA 954 Ca 0.09 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3mt5 h ALA 954 Cb 0.37 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3mt5 h ALA 954 CO 0.02 0.36 -0.01 1.49 0.00 0.00 0.00 179.25 181.11 3mt5 h GLU 955 N 0.63 -0.01 0.00 0.00 4.57 -1.33 -3.42 114.58 115.02 3mt5 h GLU 955 Ca 0.16 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 3mt5 h GLU 955 Cb 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 3mt5 h GLU 955 CO -0.03 -0.01 -0.78 0.39 -1.18 0.00 0.00 179.01 177.41 3mt5 n GLU 956 N -2.14 0.13 -2.74 1.92 1.02 -0.94 -4.97 120.64 112.92 3mt5 n GLU 956 Ca -0.00 0.01 -0.21 0.00 -0.02 0.00 0.00 57.16 56.93 3mt5 n GLU 956 Cb 0.01 -1.55 0.01 0.00 -0.02 0.00 0.00 31.44 29.89 3mt5 n GLU 956 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3mt5 n ASN 957 N -1.72 -5.87 -3.64 1.62 5.15 -0.29 -4.96 115.26 105.55 3mt5 n ASN 957 Ca 0.04 -0.15 -0.10 0.00 -0.60 0.00 0.00 54.58 53.77 3mt5 n ASN 957 Cb 0.38 -4.81 -0.07 0.00 -0.53 0.00 0.00 39.78 34.75 3mt5 n ASN 957 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3mt5 s ALA 958 N -3.09 -1.94 0.00 5.20 0.00 -1.26 -5.00 121.76 115.68 3mt5 s ALA 958 Ca 0.16 2.04 -0.30 0.00 0.00 0.00 0.00 51.96 53.85 3mt5 s ALA 958 Cb -0.07 -1.39 -0.05 0.00 0.00 0.00 0.00 23.12 21.61 3mt5 s ALA 958 CO 0.20 -0.30 1.30 -0.51 0.00 0.00 0.00 175.76 176.45 3mt5 s LEU 959 N 0.59 4.32 -0.15 0.00 1.43 -1.26 -4.76 118.68 118.85 3mt5 s LEU 959 Ca -0.01 2.02 -0.06 0.00 -1.03 0.00 0.00 54.13 55.05 3mt5 s LEU 959 Cb -0.05 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.57 3mt5 s LEU 959 CO -0.07 -0.63 0.05 0.00 0.23 0.00 0.00 176.35 175.94 3mt5 s ARG 960 N 2.01 3.63 0.46 1.70 1.70 -1.26 -5.02 118.95 122.16 3mt5 s ARG 960 Ca 0.60 -0.33 -0.19 0.00 -0.47 0.00 0.00 55.73 55.34 3mt5 s ARG 960 Cb -0.29 -3.09 -0.10 0.00 -0.57 0.00 0.00 34.95 30.90 3mt5 s ARG 960 CO 0.26 0.46 0.96 0.20 -1.08 0.00 0.00 175.30 176.10 3mt5 s GLY 961 N -0.18 2.27 0.17 3.88 0.00 -1.26 0.35 107.32 112.56 3mt5 s GLY 961 Ca 0.07 0.32 -0.04 0.00 0.00 0.00 0.00 44.72 45.07 3mt5 s GLY 961 CO 0.01 0.59 0.17 -0.32 0.00 0.00 0.00 173.10 173.55 3mt5 s GLY 962 N -2.50 0.95 0.05 0.20 0.00 0.45 -4.50 107.32 101.98 3mt5 s GLY 962 Ca 0.61 -1.34 -0.22 0.00 0.00 0.00 0.00 44.72 43.76 3mt5 s GLY 962 CO 0.19 -1.18 0.66 -0.19 0.00 0.00 0.00 173.10 172.58 3mt5 s TYR 963 N -4.06 3.75 -0.69 1.90 2.02 -1.26 -4.14 117.35 114.88 3mt5 s TYR 963 Ca 0.26 1.35 -0.26 0.00 -0.37 0.00 0.00 57.07 58.05 3mt5 s TYR 963 Cb 0.06 -2.66 -0.02 0.00 -0.40 0.00 0.00 41.96 38.94 3mt5 s TYR 963 CO 0.05 0.40 1.79 -1.12 -1.57 0.00 0.00 175.55 175.10 3mt5 s SER 964 N -0.48 5.39 0.30 2.29 0.01 -1.26 -4.99 113.70 114.97 3mt5 s SER 964 Ca 0.33 0.02 -0.14 0.00 1.31 0.00 0.00 55.95 57.47 3mt5 s SER 964 Cb -0.20 -2.54 -0.09 0.00 0.21 0.00 0.00 66.02 63.41 3mt5 s SER 964 CO 0.20 -2.35 0.70 0.42 0.41 0.00 0.00 173.24 172.62 3mt5 s THR 965 N 8.72 4.73 0.49 1.44 -4.23 -1.26 -4.91 115.64 120.62 3mt5 s THR 965 Ca 0.63 0.86 0.27 0.00 -1.18 0.00 0.00 61.69 62.27 3mt5 s THR 965 Cb -0.11 -3.62 0.45 0.00 1.34 0.00 0.00 72.50 70.57 3mt5 s THR 965 CO 0.16 -0.15 1.87 1.55 -0.54 0.00 0.00 174.62 177.50 3mt5 h PRO 966 N 2.34 0.14 -0.13 3.99 0.13 -1.97 0.78 132.00 137.27 3mt5 h PRO 966 Ca -0.48 -0.01 -0.17 0.00 -0.87 0.00 0.00 66.00 64.48 3mt5 h PRO 966 Cb 1.17 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 3mt5 h PRO 966 CO 0.66 0.09 -0.63 1.96 -0.23 0.00 0.00 178.00 179.85 3mt5 h GLN 967 N 0.14 0.47 -0.31 0.86 7.50 -2.00 -1.11 115.11 120.67 3mt5 h GLN 967 Ca 0.46 -0.33 -0.10 0.00 0.50 0.00 0.00 58.65 59.18 3mt5 h GLN 967 Cb 1.57 0.05 -0.01 0.00 0.05 0.00 0.00 27.48 29.14 3mt5 h GLN 967 CO -0.08 0.95 -0.18 1.79 -1.50 0.00 0.00 178.83 179.81 3mt5 h THR 968 N 0.35 1.29 0.00 -0.54 1.35 -1.35 -2.92 112.91 111.09 3mt5 h THR 968 Ca -0.01 -1.30 0.00 0.00 -0.55 0.00 0.00 66.41 64.55 3mt5 h THR 968 Cb 1.18 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 3mt5 h THR 968 CO 0.11 0.42 0.00 -0.07 -0.25 0.00 0.00 175.52 175.73 3mt5 h LEU 969 N 0.43 0.00 -0.46 3.87 3.38 -0.71 -0.93 115.31 120.88 3mt5 h LEU 969 Ca 0.07 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 3mt5 h LEU 969 Cb 0.72 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 3mt5 h LEU 969 CO 0.05 0.00 -0.05 0.00 0.09 0.00 0.00 178.44 178.54 3mt5 h ALA 970 N 2.07 0.63 0.00 1.53 0.00 -1.00 -3.07 119.26 119.43 3mt5 h ALA 970 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3mt5 h ALA 970 Cb 0.11 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3mt5 h ALA 970 CO 0.00 0.47 0.03 0.09 0.00 0.00 0.00 179.25 179.84 3mt5 n ASN 971 N -4.32 0.27 0.25 0.00 3.02 -0.35 -0.94 115.26 113.20 3mt5 n ASN 971 Ca 0.00 0.61 0.17 0.00 -0.03 0.00 0.00 54.58 55.33 3mt5 n ASN 971 Cb 0.34 -0.64 0.74 0.00 -0.61 0.00 0.00 39.78 39.61 3mt5 n ASN 971 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 3mt5 h ARG 972 N 0.00 0.00 -3.95 3.52 3.08 -1.65 -3.39 114.38 111.98 3mt5 h ARG 972 Ca 0.00 0.00 -0.75 0.00 0.07 0.00 0.00 59.98 59.30 3mt5 h ARG 972 Cb 0.06 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 29.95 3mt5 h ARG 972 CO 0.00 0.00 1.85 -3.47 -1.07 0.00 0.00 179.97 177.28 3mt5 n ASP 973 N -2.88 5.10 -4.31 7.04 4.64 -0.11 -4.27 116.55 121.75 3mt5 n ASP 973 Ca 0.00 -3.06 -0.16 0.00 -1.38 0.00 0.00 54.79 50.19 3mt5 n ASP 973 Cb 0.24 -1.52 -0.10 0.00 -1.04 0.00 0.00 41.12 38.70 3mt5 n ASP 973 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 3mt5 s ARG 974 N 0.90 1.29 0.76 -0.67 0.52 -1.26 -4.93 118.95 115.56 3mt5 s ARG 974 Ca 0.41 -1.64 -0.12 0.00 -0.52 0.00 0.00 55.73 53.87 3mt5 s ARG 974 Cb 0.06 -0.57 0.05 0.00 0.52 0.00 0.00 34.95 35.00 3mt5 s ARG 974 CO 0.00 -0.09 1.10 0.00 0.02 0.00 0.00 175.30 176.34 3mt5 s ARG 976 N -5.26 0.64 0.31 0.00 1.70 -0.70 -4.91 118.95 110.72 3mt5 s ARG 976 Ca 0.60 -1.11 -0.27 0.00 -0.47 0.00 0.00 55.73 54.47 3mt5 s ARG 976 Cb -0.13 -0.04 -0.09 0.00 -0.57 0.00 0.00 34.95 34.12 3mt5 s ARG 976 CO 0.53 -0.04 1.04 0.08 -1.08 0.00 0.00 175.30 175.82 3mt5 s VAL 977 N -3.09 3.76 0.13 4.99 1.01 -1.26 -1.55 120.40 124.39 3mt5 s VAL 977 Ca 0.03 1.59 -0.19 0.00 0.00 0.00 0.00 61.98 63.42 3mt5 s VAL 977 Cb 0.02 -3.95 0.05 0.00 0.00 0.00 0.00 36.38 32.50 3mt5 s VAL 977 CO -0.05 0.25 0.48 0.00 0.00 0.00 0.00 175.10 175.77 3mt5 s ALA 978 N -1.37 -1.18 -0.01 5.51 0.00 0.10 -4.81 121.76 120.00 3mt5 s ALA 978 Ca 0.49 0.17 0.06 0.00 0.00 0.00 0.00 51.96 52.67 3mt5 s ALA 978 Cb -0.26 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 23.58 3mt5 s ALA 978 CO 0.33 -0.68 -0.17 -0.65 0.00 0.00 0.00 175.76 174.58 3mt5 s GLN 979 N -3.74 2.27 -0.04 0.00 -0.21 -1.25 -1.36 119.66 115.33 3mt5 s GLN 979 Ca 0.02 -0.85 0.03 0.00 0.02 0.00 0.00 55.36 54.58 3mt5 s GLN 979 Cb 0.01 -2.25 0.01 0.00 1.00 0.00 0.00 33.01 31.77 3mt5 s GLN 979 CO -0.12 0.58 -0.11 -0.51 -2.12 0.00 0.00 175.29 173.01 3mt5 s LEU 980 N -1.03 1.74 0.13 2.90 1.43 -0.72 -4.88 118.68 118.25 3mt5 s LEU 980 Ca 0.13 -0.24 -0.14 0.00 -1.03 0.00 0.00 54.13 52.84 3mt5 s LEU 980 Cb -0.10 -0.70 -0.07 0.00 0.03 0.00 0.00 46.19 45.35 3mt5 s LEU 980 CO 0.02 0.07 0.54 0.00 0.23 0.00 0.00 176.35 177.21 3mt5 s ALA 981 N 0.33 3.59 -0.57 4.21 0.00 -1.26 -0.91 121.76 127.15 3mt5 s ALA 981 Ca -0.07 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.76 3mt5 s ALA 981 Cb -0.11 -2.51 0.46 0.00 0.00 0.00 0.00 23.12 20.95 3mt5 s ALA 981 CO 0.02 0.46 1.83 1.28 0.00 0.00 0.00 175.76 179.35 3mt5 n LEU 982 N 0.90 7.00 -0.07 0.00 4.77 -1.19 -4.18 117.00 124.23 3mt5 n LEU 982 Ca -0.06 -4.37 -0.14 0.00 -0.03 0.00 0.00 56.01 51.41 3mt5 n LEU 982 Cb 0.52 -0.82 -0.05 0.00 -2.33 0.00 0.00 43.42 40.74 3mt5 n LEU 982 CO 0.42 1.60 -0.85 0.18 -1.33 0.00 0.00 177.39 177.42 3mt5 n LEU 983 N -0.88 1.35 -0.07 2.23 4.77 -1.26 -4.56 117.00 118.58 3mt5 n LEU 983 Ca 0.58 0.23 -0.04 0.00 -0.03 0.00 0.00 56.01 56.74 3mt5 n LEU 983 Cb 0.76 -0.53 -0.14 0.00 -2.33 0.00 0.00 43.42 41.18 3mt5 n LEU 983 CO 0.69 0.07 -1.00 0.47 -1.33 0.00 0.00 177.39 176.29 3mt5 n ASP 984 N -3.88 0.57 -4.35 -1.43 8.00 -1.26 -4.74 116.55 109.46 3mt5 n ASP 984 Ca -0.25 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 54.92 3mt5 n ASP 984 Cb 0.59 1.17 0.14 0.00 -0.02 0.00 0.00 41.12 43.01 3mt5 n ASP 984 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mt5 n GLY 985 N 1.77 -2.27 0.15 0.44 0.00 -1.26 -4.78 105.19 99.25 3mt5 n GLY 985 Ca -0.23 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.02 3mt5 n GLY 985 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3mt5 n PRO 986 N -1.80 0.20 0.00 1.61 -0.02 -1.26 -1.73 135.00 131.99 3mt5 n PRO 986 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 3mt5 n PRO 986 Cb 0.57 -1.03 0.00 0.00 -0.02 0.00 0.00 33.50 33.02 3mt5 n PRO 986 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3mt5 n PHE 987 N -0.22 0.00 -0.19 6.00 3.72 -1.26 -4.81 117.46 120.69 3mt5 n PHE 987 Ca 0.00 -0.41 -0.05 0.00 -0.05 0.00 0.00 57.45 56.94 3mt5 n PHE 987 Cb 0.02 -0.04 0.01 0.00 -0.94 0.00 0.00 39.48 38.53 3mt5 n PHE 987 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3mt5 h ALA 988 N 0.00 0.02 -0.75 4.37 0.00 -1.58 -1.54 119.26 119.78 3mt5 h ALA 988 Ca 0.00 0.17 0.15 0.00 0.00 0.00 0.00 54.91 55.23 3mt5 h ALA 988 Cb 0.53 0.72 -0.14 0.00 0.00 0.00 0.00 17.79 18.90 3mt5 h ALA 988 CO 0.00 -0.64 -0.20 -0.44 0.00 0.00 0.00 179.25 177.97 3mt5 h ASP 989 N -0.15 -0.73 0.32 0.00 3.32 -1.87 0.57 116.42 117.89 3mt5 h ASP 989 Ca 0.24 0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.51 3mt5 h ASP 989 Cb 0.54 0.47 0.00 0.00 0.22 0.00 0.00 39.33 40.56 3mt5 h ASP 989 CO -0.65 -0.25 0.00 -0.07 -1.72 0.00 0.00 179.24 176.55 3mt5 h LEU 990 N -0.01 0.00 -0.58 1.55 4.07 -1.66 -2.96 115.31 115.72 3mt5 h LEU 990 Ca 0.36 0.00 0.08 0.00 0.08 0.00 0.00 57.88 58.39 3mt5 h LEU 990 Cb 0.55 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 42.19 3mt5 h LEU 990 CO -0.77 0.00 -0.50 1.23 -1.08 0.00 0.00 178.44 177.31 3mt5 h GLY 991 N 0.88 -0.70 -6.44 0.83 0.00 0.28 -2.38 103.07 95.53 3mt5 h GLY 991 Ca 0.00 0.65 -0.56 0.00 0.00 0.00 0.00 47.33 47.42 3mt5 h GLY 991 CO 0.00 -0.12 0.94 0.99 0.00 0.00 0.00 176.54 178.35 3mt5 s ASP 992 N -5.17 6.65 -0.60 0.19 1.01 -1.12 -2.48 116.67 115.14 3mt5 s ASP 992 Ca -0.14 0.71 -0.04 0.00 0.71 0.00 0.00 52.55 53.79 3mt5 s ASP 992 Cb 0.11 -2.55 0.03 0.00 1.01 0.00 0.00 42.92 41.53 3mt5 s ASP 992 CO 0.64 -1.19 0.12 0.61 0.21 0.00 0.00 175.17 175.56 3mt5 n GLY 993 N 4.64 -0.49 3.94 0.21 0.00 -1.13 -4.95 105.19 107.41 3mt5 n GLY 993 Ca 0.13 0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 3mt5 n GLY 993 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mt5 s GLY 994 N -2.22 1.72 -0.16 -0.02 0.00 -0.89 -4.72 107.32 101.03 3mt5 s GLY 994 Ca 0.13 -1.13 -0.16 0.00 0.00 0.00 0.00 44.72 43.57 3mt5 s GLY 994 CO 0.16 -0.53 0.39 0.00 0.00 0.00 0.00 173.10 173.12 3mt5 h TYR 996 N 6.95 0.56 -0.43 0.00 3.20 -1.15 -0.63 116.97 125.48 3mt5 h TYR 996 Ca -0.39 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.36 3mt5 h TYR 996 Cb 1.17 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.25 3mt5 h TYR 996 CO 0.64 0.19 -0.27 0.78 -1.64 0.00 0.00 178.16 177.86 3mt5 h GLY 997 N 0.46 0.99 1.03 1.82 0.00 -1.07 0.22 103.07 106.51 3mt5 h GLY 997 Ca 0.42 -0.91 -0.05 0.00 0.00 0.00 0.00 47.33 46.80 3mt5 h GLY 997 CO -0.16 0.82 0.24 -0.55 0.00 0.00 0.00 176.54 176.90 3mt5 h ASP 998 N 0.78 0.97 0.83 0.19 3.32 -1.39 -0.66 116.42 120.45 3mt5 h ASP 998 Ca 0.09 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 3mt5 h ASP 998 Cb 0.83 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 40.14 3mt5 h ASP 998 CO 0.07 0.90 -0.40 0.25 -1.72 0.00 0.00 179.24 178.34 3mt5 h LEU 999 N 0.99 -0.95 -0.84 1.55 5.85 -0.91 -1.89 115.31 119.11 3mt5 h LEU 999 Ca 0.22 0.02 0.20 0.00 0.84 0.00 0.00 57.88 59.17 3mt5 h LEU 999 Cb 0.26 0.25 -0.15 0.00 0.37 0.00 0.00 40.66 41.38 3mt5 h LEU 999 CO -0.01 -0.64 0.02 0.15 -0.34 0.00 0.00 178.44 177.61 3mt5 h PHE 1000N -1.18 -0.03 0.06 1.25 3.57 -0.42 0.77 116.94 120.95 3mt5 h PHE 1000Ca -0.11 0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 3mt5 h PHE 1000Cb 0.87 0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.76 3mt5 h PHE 1000CO -0.01 -0.29 -0.03 0.00 -2.23 0.00 0.00 178.31 175.75 3mt5 h LYS 1002N -0.37 0.31 0.21 0.00 3.64 -0.47 -1.26 116.57 118.63 3mt5 h LYS 1002Ca -0.01 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 3mt5 h LYS 1002Cb 0.33 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3mt5 h LYS 1002CO 0.01 0.31 -0.10 0.00 -2.27 0.00 0.00 179.45 177.40 3mt5 h ALA 1003N 1.74 -0.28 0.00 5.00 0.00 -0.46 0.88 119.26 126.15 3mt5 h ALA 1003Ca 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3mt5 h ALA 1003Cb 0.14 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3mt5 h ALA 1003CO -0.00 -0.54 -0.30 1.37 0.00 0.00 0.00 179.25 179.78 3mt5 h LEU 1004N -0.50 0.00 0.22 0.00 8.10 -1.14 -1.52 115.31 120.46 3mt5 h LEU 1004Ca -0.03 -0.02 -0.01 0.00 0.11 0.00 0.00 57.88 57.93 3mt5 h LEU 1004Cb 0.38 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.60 3mt5 h LEU 1004CO 0.05 0.01 -0.10 0.50 -4.11 0.00 0.00 178.44 174.78 3mt5 h LYS 1005N 0.00 -0.28 0.09 0.17 3.64 -1.17 -2.49 116.57 116.53 3mt5 h LYS 1005Ca 0.00 0.02 -0.27 0.00 -1.27 0.00 0.00 60.65 59.13 3mt5 h LYS 1005Cb 0.94 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 3mt5 h LYS 1005CO 0.00 0.09 -1.31 1.15 -2.27 0.00 0.00 179.45 177.11 3mt5 h THR 1006N -0.75 1.39 0.00 1.00 2.02 -0.90 -3.40 112.91 112.27 3mt5 h THR 1006Ca -0.03 -3.04 0.00 0.00 0.77 0.00 0.00 66.41 64.11 3mt5 h THR 1006Cb 0.50 2.82 0.00 0.00 -1.74 0.00 0.00 68.15 69.73 3mt5 h THR 1006CO 0.05 0.86 0.00 -1.22 0.37 0.00 0.00 175.52 175.58 3mt5 n TYR 1007N -3.43 0.00 -3.08 3.16 4.01 -0.60 -5.00 117.16 112.22 3mt5 n TYR 1007Ca -0.10 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.43 3mt5 n TYR 1007Cb 1.01 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 40.08 3mt5 n TYR 1007CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3mt5 n ASN 1008N -0.52 -5.96 -4.24 7.72 3.02 -0.94 -4.65 115.26 109.69 3mt5 n ASN 1008Ca 0.00 -0.32 -0.37 0.00 -0.03 0.00 0.00 54.58 53.86 3mt5 n ASN 1008Cb 0.02 -4.74 -0.13 0.00 -0.61 0.00 0.00 39.78 34.32 3mt5 n ASN 1008CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 3mt5 s MET 1009N -5.75 2.56 -0.07 3.52 1.75 -1.03 -4.47 119.30 115.81 3mt5 s MET 1009Ca 0.34 -1.22 -0.23 0.00 -1.25 0.00 0.00 55.69 53.32 3mt5 s MET 1009Cb -0.15 -3.40 -0.04 0.00 2.84 0.00 0.00 34.83 34.09 3mt5 s MET 1009CO 0.42 -0.67 0.70 -1.17 -0.65 0.00 0.00 175.02 173.65 3mt5 s LEU 1010N 1.36 4.31 -0.02 4.11 0.20 -0.97 -2.61 118.68 125.07 3mt5 s LEU 1010Ca -0.02 1.18 0.01 0.00 0.69 0.00 0.00 54.13 55.98 3mt5 s LEU 1010Cb -0.20 -3.08 -0.04 0.00 -0.43 0.00 0.00 46.19 42.45 3mt5 s LEU 1010CO 0.02 -0.12 0.01 0.00 -0.29 0.00 0.00 176.35 175.96 3mt5 n PHE 1012N 1.53 0.00 0.00 0.00 -1.74 0.67 -4.99 117.46 112.93 3mt5 n PHE 1012Ca -0.15 -0.04 0.00 0.00 -0.56 0.00 0.00 57.45 56.69 3mt5 n PHE 1012Cb 0.53 -0.05 0.00 0.00 1.52 0.00 0.00 39.48 41.48 3mt5 n PHE 1012CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3mt5 n GLY 1013N -0.06 1.69 3.55 4.97 0.00 -1.24 -1.92 105.19 112.17 3mt5 n GLY 1013Ca 0.01 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 44.69 3mt5 n GLY 1013CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mt5 s ILE 1014N -2.00 3.22 -0.36 -0.61 -1.09 -0.28 -0.60 121.20 119.47 3mt5 s ILE 1014Ca 0.00 -1.24 0.01 0.00 -2.23 0.00 0.00 60.65 57.19 3mt5 s ILE 1014Cb 0.00 -2.47 0.10 0.00 -1.58 0.00 0.00 42.46 38.51 3mt5 s ILE 1014CO 0.00 0.18 0.10 -0.47 -1.23 0.00 0.00 174.94 173.51 3mt5 s TYR 1015N -1.13 3.65 -0.09 3.97 5.04 0.34 -0.69 117.35 128.44 3mt5 s TYR 1015Ca 0.19 -2.70 -0.04 0.00 -2.44 0.00 0.00 57.07 52.09 3mt5 s TYR 1015Cb -0.11 -2.95 -0.04 0.00 0.35 0.00 0.00 41.96 39.21 3mt5 s TYR 1015CO 0.11 -0.95 0.08 1.03 -1.34 0.00 0.00 175.55 174.48 3mt5 s ARG 1016N 1.02 3.21 0.21 4.97 0.52 -0.20 -3.17 118.95 125.51 3mt5 s ARG 1016Ca 0.08 -0.28 -0.32 0.00 -0.52 0.00 0.00 55.73 54.69 3mt5 s ARG 1016Cb -0.21 -2.99 -0.12 0.00 0.52 0.00 0.00 34.95 32.15 3mt5 s ARG 1016CO -0.06 0.73 1.70 1.28 0.02 0.00 0.00 175.30 178.97 3mt5 n LEU 1017N 1.97 3.91 0.30 2.53 4.32 -1.26 0.50 117.00 129.27 3mt5 n LEU 1017Ca -0.19 1.07 0.17 0.00 -0.02 0.00 0.00 56.01 57.05 3mt5 n LEU 1017Cb 0.54 -1.56 0.94 0.00 -1.62 0.00 0.00 43.42 41.72 3mt5 n LEU 1017CO 0.31 0.12 1.09 0.08 -1.22 0.00 0.00 177.39 177.77 3mt5 h ARG 1018N 6.54 0.00 -2.90 3.23 0.11 -1.63 -3.18 114.38 116.54 3mt5 h ARG 1018Ca -0.44 0.00 -0.76 0.00 0.10 0.00 0.00 59.98 58.88 3mt5 h ARG 1018Cb 1.21 0.00 -0.31 0.00 1.11 0.00 0.00 29.97 31.98 3mt5 h ARG 1018CO 0.94 0.04 0.43 -0.25 0.10 0.00 0.00 179.97 181.22 3mt5 n ASP 1019N -3.44 5.66 -3.39 0.08 10.43 -1.26 -4.67 116.55 119.96 3mt5 n ASP 1019Ca -0.02 -3.35 -0.27 0.00 2.57 0.00 0.00 54.79 53.72 3mt5 n ASP 1019Cb 0.15 -1.16 -0.10 0.00 1.84 0.00 0.00 41.12 41.85 3mt5 n ASP 1019CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3mt5 n ALA 1020N 1.48 2.85 -2.63 2.24 0.00 -1.20 -4.87 120.51 118.38 3mt5 n ALA 1020Ca 0.26 -3.25 -0.38 0.00 0.00 0.00 0.00 53.44 50.08 3mt5 n ALA 1020Cb 0.36 -0.78 -0.11 0.00 0.00 0.00 0.00 19.45 18.92 3mt5 n ALA 1020CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3mt5 s PRO 1025N -0.24 3.96 -0.03 0.00 0.02 -1.26 -5.16 135.00 132.29 3mt5 s PRO 1025Ca 0.33 -0.32 -0.11 0.00 0.02 0.00 0.00 61.00 60.92 3mt5 s PRO 1025Cb 0.05 -3.61 0.02 0.00 0.02 0.00 0.00 34.50 30.98 3mt5 s PRO 1025CO -0.18 -0.12 0.25 0.45 -0.33 0.00 0.00 177.00 177.06 3mt5 s SER 1026N 1.58 -0.15 0.22 2.53 0.15 -1.26 -5.05 113.70 111.71 3mt5 s SER 1026Ca 0.07 0.13 0.20 0.00 0.70 0.00 0.00 55.95 57.05 3mt5 s SER 1026Cb -0.15 0.35 0.04 0.00 -1.71 0.00 0.00 66.02 64.55 3mt5 s SER 1026CO 0.09 -0.32 1.16 1.56 1.20 0.00 0.00 173.24 176.93 3mt5 h GLN 1027N 4.54 0.00 -6.35 5.44 7.50 -2.06 -3.47 115.11 120.71 3mt5 h GLN 1027Ca -0.29 0.00 -0.53 0.00 0.50 0.00 0.00 58.65 58.33 3mt5 h GLN 1027Cb 1.19 0.00 0.02 0.00 0.05 0.00 0.00 27.48 28.73 3mt5 h GLN 1027CO 0.38 0.15 1.19 0.00 -1.50 0.00 0.00 178.83 179.05 3mt5 n THR 1029N 5.47 2.84 -2.01 0.00 -2.24 -1.26 -4.80 114.28 112.28 3mt5 n THR 1029Ca 0.19 -1.66 -0.41 0.00 -2.27 0.00 0.00 64.05 59.90 3mt5 n THR 1029Cb 0.41 -0.33 -0.02 0.00 -2.10 0.00 0.00 70.33 68.29 3mt5 n THR 1029CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3mt5 s LYS 1030N -2.95 4.27 0.14 -0.78 1.02 -1.26 -4.92 119.74 115.26 3mt5 s LYS 1030Ca 0.54 2.31 0.10 0.00 0.02 0.00 0.00 55.97 58.94 3mt5 s LYS 1030Cb 0.43 -3.08 -0.04 0.00 -0.52 0.00 0.00 37.83 34.62 3mt5 s LYS 1030CO 0.13 -0.36 -0.22 1.03 -0.92 0.00 0.00 175.35 175.01 3mt5 s ARG 1031N -1.08 1.30 0.27 1.68 0.52 -1.26 -1.59 118.95 118.79 3mt5 s ARG 1031Ca 0.55 -1.35 0.07 0.00 -0.52 0.00 0.00 55.73 54.48 3mt5 s ARG 1031Cb -0.42 -1.57 -0.06 0.00 0.52 0.00 0.00 34.95 33.43 3mt5 s ARG 1031CO 0.49 0.35 -0.08 1.52 0.02 0.00 0.00 175.30 177.60 3mt5 s TYR 1032N -1.50 1.94 -0.03 -0.53 1.13 0.18 -4.25 117.35 114.29 3mt5 s TYR 1032Ca 0.14 -0.66 -0.17 0.00 -1.41 0.00 0.00 57.07 54.96 3mt5 s TYR 1032Cb -0.08 -1.07 -0.05 0.00 -1.10 0.00 0.00 41.96 39.65 3mt5 s TYR 1032CO 0.06 0.32 0.48 0.08 -2.51 0.00 0.00 175.55 173.98 3mt5 s VAL 1033N -2.98 5.03 -0.34 -3.49 1.01 -1.09 -1.04 120.40 117.51 3mt5 s VAL 1033Ca 0.29 0.99 0.02 0.00 0.00 0.00 0.00 61.98 63.27 3mt5 s VAL 1033Cb 0.03 -3.81 0.10 0.00 0.00 0.00 0.00 36.38 32.70 3mt5 s VAL 1033CO 0.11 0.46 0.09 -0.63 0.00 0.00 0.00 175.10 175.13 3mt5 s ILE 1034N -0.33 1.62 -0.03 2.22 1.01 0.14 -4.58 121.20 121.25 3mt5 s ILE 1034Ca 0.26 -1.96 -0.30 0.00 0.00 0.00 0.00 60.65 58.65 3mt5 s ILE 1034Cb -0.17 -2.20 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 3mt5 s ILE 1034CO 0.13 -0.65 1.06 -0.89 0.00 0.00 0.00 174.94 174.59 3mt5 s THR 1035N 1.16 4.61 -0.88 2.92 2.01 -1.26 -1.13 115.64 123.07 3mt5 s THR 1035Ca 0.11 1.88 -0.06 0.00 0.31 0.00 0.00 61.69 63.93 3mt5 s THR 1035Cb -0.19 -4.21 0.00 0.00 0.01 0.00 0.00 72.50 68.12 3mt5 s THR 1035CO -0.15 0.09 0.65 -3.20 -0.69 0.00 0.00 174.62 171.32 3mt5 n ASN 1036N 4.39 -5.40 -4.78 3.53 5.15 -0.81 -4.39 115.26 112.96 3mt5 n ASN 1036Ca 0.08 -0.84 -0.32 0.00 -0.60 0.00 0.00 54.58 52.90 3mt5 n ASN 1036Cb 0.49 -2.55 0.06 0.00 -0.53 0.00 0.00 39.78 37.24 3mt5 n ASN 1036CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3mt5 s PRO 1037N -4.95 2.68 0.89 1.20 0.04 -1.26 -4.98 135.00 128.62 3mt5 s PRO 1037Ca 0.10 1.24 -0.11 0.00 0.04 0.00 0.00 61.00 62.27 3mt5 s PRO 1037Cb -0.05 -1.95 0.12 0.00 0.04 0.00 0.00 34.50 32.67 3mt5 s PRO 1037CO 0.87 -1.32 1.09 -2.14 0.04 0.00 0.00 177.00 175.55 3mt5 s PRO 1038N -4.50 1.32 0.21 0.56 0.02 -1.26 -4.94 135.00 126.42 3mt5 s PRO 1038Ca 0.63 1.03 -0.17 0.00 0.02 0.00 0.00 61.00 62.51 3mt5 s PRO 1038Cb -0.18 -1.80 0.21 0.00 0.02 0.00 0.00 34.50 32.75 3mt5 s PRO 1038CO 0.48 -2.26 1.58 -0.92 -0.33 0.00 0.00 177.00 175.56 3mt5 h TYR 1039N -1.57 -0.79 -0.18 6.54 3.20 -1.95 -2.37 116.97 119.85 3mt5 h TYR 1039Ca -0.48 0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.47 3mt5 h TYR 1039Cb 1.27 0.46 0.00 0.00 1.54 0.00 0.00 36.73 40.00 3mt5 h TYR 1039CO 0.47 -0.37 0.00 -0.85 -1.64 0.00 0.00 178.16 175.77 3mt5 n GLU 1040N -5.47 1.85 -1.95 1.82 0.00 -1.26 -0.56 120.64 115.07 3mt5 n GLU 1040Ca 0.07 -0.84 -0.42 0.00 0.00 0.00 0.00 57.16 55.98 3mt5 n GLU 1040Cb 0.38 -1.49 -0.03 0.00 0.00 0.00 0.00 31.44 30.30 3mt5 n GLU 1040CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.13 177.25 3mt5 s PHE 1041N -1.59 3.01 -0.27 -1.84 5.36 -0.89 -4.82 117.98 116.93 3mt5 s PHE 1041Ca 0.15 0.82 -0.24 0.00 -0.96 0.00 0.00 56.93 56.70 3mt5 s PHE 1041Cb 0.10 -3.90 -0.00 0.00 -0.34 0.00 0.00 43.02 38.88 3mt5 s PHE 1041CO 0.07 -3.11 0.81 -2.00 -1.46 0.00 0.00 175.22 169.53 3mt5 s GLU 1042N 0.28 4.08 0.82 10.12 2.12 -1.26 -1.63 118.70 133.23 3mt5 s GLU 1042Ca 0.64 0.76 -0.11 0.00 0.36 0.00 0.00 54.97 56.63 3mt5 s GLU 1042Cb -0.43 -3.69 0.09 0.00 0.26 0.00 0.00 34.13 30.36 3mt5 s GLU 1042CO 0.38 -0.60 1.10 -0.51 -0.54 0.00 0.00 175.26 175.10 3mt5 s LEU 1043N 2.90 2.85 0.01 2.70 1.02 0.13 -4.93 118.68 123.36 3mt5 s LEU 1043Ca 0.33 1.83 0.01 0.00 0.02 0.00 0.00 54.13 56.32 3mt5 s LEU 1043Cb -0.15 -4.42 -0.01 0.00 0.02 0.00 0.00 46.19 41.64 3mt5 s LEU 1043CO 0.10 -2.34 -0.04 -0.69 0.02 0.00 0.00 176.35 173.41 3mt5 s VAL 1044N -2.86 0.27 0.37 -1.59 1.01 -1.04 -2.83 120.40 113.73 3mt5 s VAL 1044Ca 0.62 -0.44 0.35 0.00 0.00 0.00 0.00 61.98 62.51 3mt5 s VAL 1044Cb -0.18 -0.29 0.37 0.00 0.00 0.00 0.00 36.38 36.28 3mt5 s VAL 1044CO 0.57 -0.12 2.12 1.55 0.00 0.00 0.00 175.10 179.22 3mt5 h PRO 1045N 5.52 0.00 -0.28 2.72 0.13 -1.82 -1.41 132.00 136.86 3mt5 h PRO 1045Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3mt5 h PRO 1045Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3mt5 h PRO 1045CO 0.47 0.05 0.00 0.25 -0.23 0.00 0.00 178.00 178.54 3mt5 n THR 1046N -3.28 0.32 -2.26 1.56 -2.24 -1.26 -4.18 114.28 102.95 3mt5 n THR 1046Ca -0.01 -0.28 -0.32 0.00 -2.27 0.00 0.00 64.05 61.16 3mt5 n THR 1046Cb 0.22 0.07 -0.02 0.00 -2.10 0.00 0.00 70.33 68.50 3mt5 n THR 1046CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3mt5 s ASP 1047N -0.91 6.36 0.06 3.42 1.01 -0.53 -4.77 116.67 121.31 3mt5 s ASP 1047Ca 0.14 1.62 0.08 0.00 0.71 0.00 0.00 52.55 55.10 3mt5 s ASP 1047Cb 0.08 -2.51 -0.03 0.00 1.01 0.00 0.00 42.92 41.47 3mt5 s ASP 1047CO 0.09 -0.77 -0.21 -0.76 0.21 0.00 0.00 175.17 173.73 3mt5 s LEU 1048N -4.28 2.20 -0.09 1.23 1.43 -1.19 -3.18 118.68 114.80 3mt5 s LEU 1048Ca 0.60 -0.57 0.03 0.00 -1.03 0.00 0.00 54.13 53.16 3mt5 s LEU 1048Cb -0.12 -0.99 0.01 0.00 0.03 0.00 0.00 46.19 45.12 3mt5 s LEU 1048CO 0.35 0.15 -0.18 -0.63 0.23 0.00 0.00 176.35 176.27 3mt5 s ILE 1049N -0.88 1.63 -0.23 -0.59 1.09 -0.09 -0.51 121.20 121.62 3mt5 s ILE 1049Ca 0.08 -0.75 -0.29 0.00 -1.10 0.00 0.00 60.65 58.59 3mt5 s ILE 1049Cb -0.09 -1.45 -0.01 0.00 -1.06 0.00 0.00 42.46 39.85 3mt5 s ILE 1049CO 0.02 0.47 1.37 -0.36 -0.10 0.00 0.00 174.94 176.34 3mt5 s PHE 1050N 0.65 2.59 0.07 3.97 0.08 0.23 -1.75 117.98 123.81 3mt5 s PHE 1050Ca -0.13 0.81 -0.02 0.00 0.12 0.00 0.00 56.93 57.71 3mt5 s PHE 1050Cb -0.16 -3.80 -0.03 0.00 -0.57 0.00 0.00 43.02 38.45 3mt5 s PHE 1050CO 0.04 -2.05 0.02 0.00 -0.10 0.00 0.00 175.22 173.13 3mt5 s LEU 1052N -2.92 3.41 0.14 0.00 1.43 -0.05 -0.72 118.68 119.97 3mt5 s LEU 1052Ca 0.08 -0.15 0.06 0.00 -1.03 0.00 0.00 54.13 53.09 3mt5 s LEU 1052Cb 0.07 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 3mt5 s LEU 1052CO -0.09 0.05 -0.00 -0.04 0.23 0.00 0.00 176.35 176.50 3mt5 s MET 1053N 1.07 2.46 0.51 1.70 -1.94 -0.60 -2.28 119.30 120.22 3mt5 s MET 1053Ca 0.03 -0.99 -0.18 0.00 -1.71 0.00 0.00 55.69 52.84 3mt5 s MET 1053Cb -0.14 -2.43 -0.08 0.00 2.01 0.00 0.00 34.83 34.18 3mt5 s MET 1053CO 0.02 0.49 1.00 -0.65 -0.01 0.00 0.00 175.02 175.87 3mt5 s GLN 1054N -2.67 3.87 0.96 2.03 -1.52 -1.26 -1.73 119.66 119.35 3mt5 s GLN 1054Ca 0.26 1.10 -0.11 0.00 -1.95 0.00 0.00 55.36 54.66 3mt5 s GLN 1054Cb -0.10 -2.12 0.17 0.00 -0.22 0.00 0.00 33.01 30.74 3mt5 s GLN 1054CO 0.18 -0.34 1.09 0.12 -0.25 0.00 0.00 175.29 176.09 3mt5 s PHE 1055N -2.39 1.94 0.00 0.91 5.36 -1.22 -4.90 117.98 117.67 3mt5 s PHE 1055Ca 0.62 1.36 0.00 0.00 -0.96 0.00 0.00 56.93 57.95 3mt5 s PHE 1055Cb -0.12 -3.18 0.00 0.00 -0.34 0.00 0.00 43.02 39.38 3mt5 s PHE 1055CO 0.26 -2.83 0.36 -3.47 -1.46 0.00 0.00 175.22 168.08