#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3miy s SER 356 N 0.00 7.57 0.03 1.61 0.01 -1.26 -4.96 113.70 116.70 3miy s SER 356 Ca 0.00 1.86 -0.26 0.00 1.31 0.00 0.00 55.95 58.86 3miy s SER 356 Cb 0.00 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.59 3miy s SER 356 CO 0.00 0.05 0.82 -0.69 0.41 0.00 0.00 173.24 173.83 3miy s VAL 357 N -0.59 4.77 -0.14 3.43 1.01 -1.26 -2.24 120.40 125.39 3miy s VAL 357 Ca 0.44 1.74 -0.01 0.00 0.00 0.00 0.00 61.98 64.15 3miy s VAL 357 Cb -0.25 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 31.95 3miy s VAL 357 CO 0.31 0.30 -0.12 -0.63 0.00 0.00 0.00 175.10 174.96 3miy s ILE 358 N 0.29 3.16 0.22 2.22 1.01 0.07 -4.91 121.20 123.25 3miy s ILE 358 Ca 0.42 -0.62 -0.30 0.00 0.00 0.00 0.00 60.65 60.15 3miy s ILE 358 Cb -0.21 -2.34 -0.08 0.00 0.01 0.00 0.00 42.46 39.84 3miy s ILE 358 CO 0.24 0.52 1.01 -0.62 0.00 0.00 0.00 174.94 176.09 3miy s ASP 359 N 0.41 7.47 0.40 3.58 -1.08 -1.26 -4.25 116.67 121.94 3miy s ASP 359 Ca -0.09 2.02 0.16 0.00 -0.52 0.00 0.00 52.55 54.12 3miy s ASP 359 Cb -0.16 -2.61 1.03 0.00 -1.46 0.00 0.00 42.92 39.72 3miy s ASP 359 CO 0.05 -0.01 1.84 -0.65 0.52 0.00 0.00 175.17 176.91 3miy h PRO 360 N 4.48 0.45 0.00 4.34 0.11 -1.96 -0.24 132.00 139.18 3miy h PRO 360 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3miy h PRO 360 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3miy h PRO 360 CO 0.69 0.30 0.00 0.66 -0.21 0.00 0.00 178.00 179.44 3miy h SER 361 N 0.47 0.00 0.15 -2.05 4.64 -2.03 -2.58 113.55 112.14 3miy h SER 361 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 3miy h SER 361 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3miy h SER 361 CO -0.21 0.00 -0.14 -0.62 -0.87 0.00 0.00 176.83 174.99 3miy n GLU 362 N -2.80 1.14 -4.42 4.77 1.02 -0.10 -4.85 120.64 115.40 3miy n GLU 362 Ca -0.00 -0.64 -0.34 0.00 -0.02 0.00 0.00 57.16 56.16 3miy n GLU 362 Cb 0.18 -1.49 -0.11 0.00 -0.02 0.00 0.00 31.44 30.00 3miy n GLU 362 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3miy s LEU 363 N -2.30 3.31 -0.21 -4.62 1.43 -0.97 -0.68 118.68 114.63 3miy s LEU 363 Ca 0.30 -0.06 -0.04 0.00 -1.03 0.00 0.00 54.13 53.30 3miy s LEU 363 Cb 0.20 -1.78 -0.01 0.00 0.03 0.00 0.00 46.19 44.63 3miy s LEU 363 CO 0.44 0.23 -0.04 -0.89 0.23 0.00 0.00 176.35 176.33 3miy s THR 364 N -0.02 3.49 -0.34 5.49 2.01 0.07 -4.97 115.64 121.37 3miy s THR 364 Ca 0.01 -0.46 -0.16 0.00 0.31 0.00 0.00 61.69 61.39 3miy s THR 364 Cb -0.13 -2.58 -0.01 0.00 0.01 0.00 0.00 72.50 69.79 3miy s THR 364 CO 0.03 0.43 0.41 -0.36 -0.69 0.00 0.00 174.62 174.43 3miy s PHE 365 N 1.32 3.21 -0.13 4.92 0.40 -1.26 -1.15 117.98 125.29 3miy s PHE 365 Ca 0.04 0.08 -0.11 0.00 -0.60 0.00 0.00 56.93 56.34 3miy s PHE 365 Cb -0.14 -2.73 -0.04 0.00 0.51 0.00 0.00 43.02 40.62 3miy s PHE 365 CO -0.02 -0.44 -0.21 0.28 0.70 0.00 0.00 175.22 175.54 3miy n VAL 366 N 5.28 1.16 -3.78 -0.44 0.31 0.20 -4.99 118.33 116.07 3miy n VAL 366 Ca -0.08 0.24 -0.13 0.00 -0.01 0.00 0.00 64.34 64.37 3miy n VAL 366 Cb 0.49 -2.20 -0.09 0.00 -0.91 0.00 0.00 33.84 31.13 3miy n VAL 366 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3miy s GLN 367 N -2.25 0.58 -0.07 5.55 -2.07 -1.10 -5.00 119.66 115.30 3miy s GLN 367 Ca -0.17 -0.10 -0.30 0.00 -1.82 0.00 0.00 55.36 52.97 3miy s GLN 367 Cb 0.02 0.26 -0.03 0.00 -1.09 0.00 0.00 33.01 32.18 3miy s GLN 367 CO 0.26 -0.15 1.15 -2.00 -1.32 0.00 0.00 175.29 173.23 3miy s GLU 368 N -1.04 4.37 -0.00 9.60 2.12 -1.26 -0.09 118.70 132.40 3miy s GLU 368 Ca -0.11 1.60 0.05 0.00 0.36 0.00 0.00 54.97 56.87 3miy s GLU 368 Cb -0.05 -3.55 -0.06 0.00 0.26 0.00 0.00 34.13 30.73 3miy s GLU 368 CO 0.03 -0.42 0.16 0.44 -0.54 0.00 0.00 175.26 174.93 3miy n ILE 369 N 4.60 0.00 -3.73 -3.70 -5.35 0.33 -4.91 119.36 106.61 3miy n ILE 369 Ca 0.10 -0.28 -0.14 0.00 -0.27 0.00 0.00 62.75 62.17 3miy n ILE 369 Cb 0.47 0.75 -0.08 0.00 -1.74 0.00 0.00 39.64 39.04 3miy n ILE 369 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3miy s GLY 370 N -1.88 -0.23 -0.03 3.28 0.00 -0.74 -4.97 107.32 102.74 3miy s GLY 370 Ca 0.00 0.56 -0.01 0.00 0.00 0.00 0.00 44.72 45.27 3miy s GLY 370 CO 0.19 0.34 0.07 -0.56 0.00 0.00 0.00 173.10 173.15 3miy s SER 371 N -1.10 -0.02 0.13 1.64 0.01 -1.26 -0.51 113.70 112.59 3miy s SER 371 Ca -0.11 0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.28 3miy s SER 371 Cb -0.04 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.24 3miy s SER 371 CO 0.04 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.20 3miy n GLY 372 N 3.89 -0.21 2.67 3.44 0.00 -1.26 -4.99 105.19 108.73 3miy n GLY 372 Ca -0.23 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.74 3miy n GLY 372 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3miy n GLY 375 N 1.91 -4.69 3.88 -0.02 0.00 -1.25 -5.21 105.19 99.80 3miy n GLY 375 Ca 0.00 1.45 -0.30 0.00 0.00 0.00 0.00 46.02 47.17 3miy n GLY 375 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3miy s LEU 376 N -0.81 4.16 -0.10 0.99 1.43 -0.73 -4.93 118.68 118.69 3miy s LEU 376 Ca -0.22 0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.06 3miy s LEU 376 Cb 0.01 -2.78 0.00 0.00 0.03 0.00 0.00 46.19 43.46 3miy s LEU 376 CO 0.73 0.14 -0.21 -0.69 0.23 0.00 0.00 176.35 176.55 3miy s VAL 377 N -1.54 1.88 -0.03 -1.59 1.01 0.33 -0.82 120.40 119.63 3miy s VAL 377 Ca 0.33 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.48 3miy s VAL 377 Cb -0.12 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 3miy s VAL 377 CO 0.26 0.52 -0.25 -1.00 0.00 0.00 0.00 175.10 174.63 3miy s HIS 378 N 0.49 2.36 0.22 5.22 3.76 0.33 -0.51 115.29 127.15 3miy s HIS 378 Ca -0.16 -0.55 -0.30 0.00 -0.15 0.00 0.00 55.06 53.90 3miy s HIS 378 Cb -0.17 -1.53 -0.09 0.00 1.11 0.00 0.00 32.58 31.90 3miy s HIS 378 CO 0.06 -0.11 1.20 -1.17 -0.85 0.00 0.00 174.74 173.87 3miy s LEU 379 N -0.43 4.47 0.00 0.89 0.20 0.87 -0.53 118.68 124.15 3miy s LEU 379 Ca 0.05 2.30 -0.01 0.00 0.69 0.00 0.00 54.13 57.16 3miy s LEU 379 Cb -0.11 -3.62 0.00 0.00 -0.43 0.00 0.00 46.19 42.03 3miy s LEU 379 CO 0.01 -0.35 0.03 0.61 -0.29 0.00 0.00 176.35 176.35 3miy n GLY 380 N 1.85 1.56 3.05 7.98 0.00 -0.31 -0.63 105.19 118.69 3miy n GLY 380 Ca 0.03 -0.96 -0.16 0.00 0.00 0.00 0.00 46.02 44.93 3miy n GLY 380 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3miy s TYR 381 N -7.09 0.75 -0.16 1.61 1.51 -0.30 -0.62 117.35 113.05 3miy s TYR 381 Ca 0.01 -0.32 -0.04 0.00 -1.01 0.00 0.00 57.07 55.71 3miy s TYR 381 Cb -0.00 -0.46 -0.03 0.00 -0.11 0.00 0.00 41.96 41.37 3miy s TYR 381 CO 0.00 -0.03 -0.03 -0.46 -1.11 0.00 0.00 175.55 173.92 3miy s TRP 382 N -0.82 3.02 -1.45 2.71 -0.00 -0.19 -0.75 118.94 121.46 3miy s TRP 382 Ca -0.03 -0.36 -0.06 0.00 -0.00 0.00 0.00 56.10 55.65 3miy s TRP 382 Cb -0.07 -1.98 0.03 0.00 -0.00 0.00 0.00 33.47 31.45 3miy s TRP 382 CO 0.00 -0.09 0.50 1.28 -0.00 0.00 0.00 176.95 178.64 3miy n LEU 383 N 3.70 -2.19 -2.34 5.86 4.77 0.14 -1.61 117.00 125.33 3miy n LEU 383 Ca -0.17 -0.28 -0.14 0.00 -0.03 0.00 0.00 56.01 55.39 3miy n LEU 383 Cb 0.52 -2.65 -0.01 0.00 -2.33 0.00 0.00 43.42 38.95 3miy n LEU 383 CO 0.32 0.16 -0.17 0.59 -1.33 0.00 0.00 177.39 176.97 3miy n ASN 384 N -2.38 -4.19 0.00 -1.43 3.02 -1.26 -4.75 115.26 104.27 3miy n ASN 384 Ca -0.09 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 3miy n ASN 384 Cb 0.60 -3.57 0.00 0.00 -0.61 0.00 0.00 39.78 36.20 3miy n ASN 384 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3miy n LYS 385 N -2.76 0.00 -2.81 3.52 4.81 -0.63 -5.08 118.16 115.20 3miy n LYS 385 Ca -0.16 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 56.86 3miy n LYS 385 Cb 0.61 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.62 3miy n LYS 385 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3miy s ASP 386 N -4.23 7.17 0.06 3.14 1.01 -0.89 -4.86 116.67 118.07 3miy s ASP 386 Ca 0.00 1.43 -0.31 0.00 0.71 0.00 0.00 52.55 54.38 3miy s ASP 386 Cb 0.00 -2.51 -0.06 0.00 1.01 0.00 0.00 42.92 41.36 3miy s ASP 386 CO 0.00 -0.30 1.32 -0.75 0.21 0.00 0.00 175.17 175.64 3miy s LYS 387 N 1.45 4.35 0.07 8.23 2.20 -1.26 -1.02 119.74 133.76 3miy s LYS 387 Ca 0.45 1.92 0.02 0.00 -0.36 0.00 0.00 55.97 58.01 3miy s LYS 387 Cb -0.19 -3.37 -0.03 0.00 -1.51 0.00 0.00 37.83 32.73 3miy s LYS 387 CO 0.20 -0.41 -0.08 0.14 -0.36 0.00 0.00 175.35 174.84 3miy s VAL 388 N 1.44 0.68 -0.25 4.02 -7.23 0.21 -3.29 120.40 115.98 3miy s VAL 388 Ca 0.62 -1.51 -0.09 0.00 -1.81 0.00 0.00 61.98 59.19 3miy s VAL 388 Cb -0.32 -1.16 -0.04 0.00 0.56 0.00 0.00 36.38 35.41 3miy s VAL 388 CO 0.29 -0.60 0.12 0.00 -0.31 0.00 0.00 175.10 174.59 3miy s ALA 389 N -2.43 3.34 -0.26 1.32 0.00 -0.57 -1.16 121.76 122.01 3miy s ALA 389 Ca 0.01 -1.07 -0.07 0.00 0.00 0.00 0.00 51.96 50.83 3miy s ALA 389 Cb -0.03 -2.23 -0.02 0.00 0.00 0.00 0.00 23.12 20.84 3miy s ALA 389 CO -0.02 -0.43 0.08 0.42 0.00 0.00 0.00 175.76 175.81 3miy s ILE 390 N 1.52 4.31 -0.37 0.00 1.01 0.31 -0.35 121.20 127.63 3miy s ILE 390 Ca 0.06 -0.22 -0.12 0.00 0.00 0.00 0.00 60.65 60.38 3miy s ILE 390 Cb -0.15 -3.04 0.02 0.00 0.01 0.00 0.00 42.46 39.30 3miy s ILE 390 CO 0.06 0.30 0.22 -0.75 0.00 0.00 0.00 174.94 174.78 3miy s LYS 391 N 1.61 2.98 -0.09 2.79 2.20 0.11 -0.52 119.74 128.82 3miy s LYS 391 Ca 0.06 -0.98 -0.12 0.00 -0.36 0.00 0.00 55.97 54.57 3miy s LYS 391 Cb -0.15 -3.76 -0.05 0.00 -1.51 0.00 0.00 37.83 32.35 3miy s LYS 391 CO 0.04 -0.65 0.29 0.95 -0.36 0.00 0.00 175.35 175.62 3miy s THR 392 N 1.60 5.26 0.00 3.43 -4.23 -0.00 -0.31 115.64 121.39 3miy s THR 392 Ca 0.03 0.56 0.00 0.00 -1.18 0.00 0.00 61.69 61.10 3miy s THR 392 Cb -0.19 -3.60 0.00 0.00 1.34 0.00 0.00 72.50 70.05 3miy s THR 392 CO 0.08 0.52 0.00 0.00 -0.54 0.00 0.00 174.62 174.67 3miy n ILE 393 N 2.54 0.00 -0.49 2.99 3.06 -0.69 -1.77 119.36 125.00 3miy n ILE 393 Ca -0.15 0.00 -0.19 0.00 -2.50 0.00 0.00 62.75 59.91 3miy n ILE 393 Cb 0.53 -0.19 -0.03 0.00 0.54 0.00 0.00 39.64 40.49 3miy n ILE 393 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 3miy n SER 399 N -2.09 0.01 -0.07 9.51 2.88 -1.26 -4.45 113.62 118.15 3miy n SER 399 Ca 0.00 0.37 -0.13 0.00 -1.33 0.00 0.00 58.87 57.78 3miy n SER 399 Cb 0.00 -0.30 -0.06 0.00 -0.75 0.00 0.00 64.21 63.10 3miy n SER 399 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 3miy h GLU 400 N 1.00 0.50 -0.44 -1.46 5.08 -2.03 -2.20 114.58 115.03 3miy h GLU 400 Ca -0.16 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 57.89 3miy h GLU 400 Cb 0.46 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 3miy h GLU 400 CO 0.21 0.86 0.14 1.05 -1.00 0.00 0.00 179.01 180.28 3miy h GLU 401 N 0.17 0.64 -0.36 2.33 4.11 -2.05 -0.98 114.58 118.44 3miy h GLU 401 Ca 0.03 -0.10 -0.15 0.00 0.07 0.00 0.00 59.36 59.21 3miy h GLU 401 Cb 0.78 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 3miy h GLU 401 CO 0.05 0.56 -0.35 -0.44 0.07 0.00 0.00 179.01 178.90 3miy h ASP 402 N 0.63 0.93 -0.43 3.06 3.45 -1.99 -1.46 116.42 120.61 3miy h ASP 402 Ca 0.15 -0.47 0.02 0.00 0.43 0.00 0.00 57.03 57.16 3miy h ASP 402 Cb 0.18 -0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 38.66 3miy h ASP 402 CO -0.01 1.21 0.25 0.15 -1.57 0.00 0.00 179.24 179.27 3miy h PHE 403 N 0.68 0.47 -0.17 4.55 3.57 -0.89 -2.08 116.94 123.07 3miy h PHE 403 Ca 0.06 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 3miy h PHE 403 Cb 0.94 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.53 3miy h PHE 403 CO 0.07 0.27 -0.09 0.82 -2.23 0.00 0.00 178.31 177.14 3miy h ILE 404 N 0.51 1.32 -0.92 1.41 2.04 -1.20 -3.18 117.51 117.49 3miy h ILE 404 Ca 0.17 -1.16 0.06 0.00 1.00 0.00 0.00 64.86 64.93 3miy h ILE 404 Cb 0.02 1.73 -0.06 0.00 -0.74 0.00 0.00 36.82 37.76 3miy h ILE 404 CO -0.08 0.34 0.58 -0.08 0.00 0.00 0.00 178.15 178.91 3miy h GLU 405 N 0.02 1.02 -0.71 2.37 4.57 -1.16 -0.57 114.58 120.13 3miy h GLU 405 Ca 0.04 -0.06 0.09 0.00 -1.18 0.00 0.00 59.36 58.24 3miy h GLU 405 Cb 0.58 -0.23 -0.07 0.00 -0.16 0.00 0.00 28.75 28.87 3miy h GLU 405 CO 0.03 0.68 0.37 1.49 -1.18 0.00 0.00 179.01 180.39 3miy h GLU 406 N 1.06 0.62 -0.51 1.92 4.81 -1.40 -0.42 114.58 120.66 3miy h GLU 406 Ca 0.40 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.48 3miy h GLU 406 Cb 0.17 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 3miy h GLU 406 CO -0.17 0.41 -0.11 0.00 -0.73 0.00 0.00 179.01 178.40 3miy h ALA 407 N 1.42 0.70 -0.80 2.92 0.00 -1.22 -2.47 119.26 119.81 3miy h ALA 407 Ca 0.35 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3miy h ALA 407 Cb 0.34 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3miy h ALA 407 CO -0.25 0.61 0.37 0.93 0.00 0.00 0.00 179.25 180.91 3miy h GLU 408 N 0.83 1.16 -0.14 0.00 4.39 -0.53 -0.97 114.58 119.32 3miy h GLU 408 Ca 0.13 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 3miy h GLU 408 Cb 0.68 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 3miy h GLU 408 CO 0.05 0.90 0.06 0.28 -1.16 0.00 0.00 179.01 179.14 3miy h VAL 409 N 1.13 1.13 -0.31 3.13 2.07 -1.05 -3.18 116.25 119.17 3miy h VAL 409 Ca 0.27 -0.38 -0.05 0.00 0.82 0.00 0.00 66.70 67.36 3miy h VAL 409 Cb 0.14 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 3miy h VAL 409 CO -0.03 0.12 -0.03 0.24 0.02 0.00 0.00 177.57 177.89 3miy h MET 410 N 0.09 0.48 0.00 1.57 2.86 -1.12 -2.63 114.93 116.17 3miy h MET 410 Ca 0.05 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3miy h MET 410 Cb 0.13 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.73 3miy h MET 410 CO -0.01 0.54 0.00 -1.33 1.06 0.00 0.00 176.91 177.17 3miy n MET 411 N -4.27 0.04 -0.24 1.72 2.00 -0.40 -2.36 117.12 113.61 3miy n MET 411 Ca 0.01 0.18 0.06 0.00 0.00 0.00 0.00 57.70 57.95 3miy n MET 411 Cb 0.26 -1.50 0.18 0.00 0.00 0.00 0.00 33.22 32.15 3miy n MET 411 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 3miy n LYS 412 N -1.46 2.87 -3.99 0.03 5.02 -0.99 -4.85 118.16 114.77 3miy n LYS 412 Ca 0.05 -2.26 -0.31 0.00 -2.02 0.00 0.00 58.31 53.77 3miy n LYS 412 Cb 0.20 -1.43 -0.15 0.00 -0.02 0.00 0.00 35.03 33.63 3miy n LYS 412 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3miy s LEU 413 N -1.57 4.57 -0.38 -0.35 1.43 -1.00 -5.08 118.68 116.30 3miy s LEU 413 Ca 0.28 -2.25 -0.08 0.00 -1.03 0.00 0.00 54.13 51.05 3miy s LEU 413 Cb 0.18 -1.59 0.06 0.00 0.03 0.00 0.00 46.19 44.87 3miy s LEU 413 CO 0.13 -0.36 0.19 -0.55 0.23 0.00 0.00 176.35 175.98 3miy s SER 414 N 0.78 5.50 -0.08 2.29 0.15 -1.26 -4.98 113.70 116.10 3miy s SER 414 Ca 0.12 -1.32 -0.10 0.00 0.70 0.00 0.00 55.95 55.35 3miy s SER 414 Cb -0.20 -1.94 0.02 0.00 -1.71 0.00 0.00 66.02 62.20 3miy s SER 414 CO -0.08 -0.43 0.27 -2.28 1.20 0.00 0.00 173.24 171.92 3miy s HIS 415 N 1.42 -0.24 0.66 3.44 5.04 -1.26 -5.05 115.29 119.30 3miy s HIS 415 Ca 0.01 0.56 0.38 0.00 -1.54 0.00 0.00 55.06 54.47 3miy s HIS 415 Cb -0.21 0.08 2.08 0.00 0.04 0.00 0.00 32.58 34.58 3miy s HIS 415 CO 0.03 -0.20 2.18 -1.35 -2.34 0.00 0.00 174.74 173.06 3miy h PRO 416 N 5.23 0.00 -0.31 2.88 0.11 -1.98 -1.96 132.00 135.97 3miy h PRO 416 Ca -0.27 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.77 3miy h PRO 416 Cb 1.19 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 3miy h PRO 416 CO 0.35 0.00 -0.00 1.63 -0.21 0.00 0.00 178.00 179.77 3miy n LYS 417 N -3.05 2.52 -4.62 1.05 4.76 -1.26 -4.89 118.16 112.67 3miy n LYS 417 Ca -0.02 -2.95 -0.28 0.00 -2.87 0.00 0.00 58.31 52.19 3miy n LYS 417 Cb 0.20 -1.84 -0.17 0.00 -1.84 0.00 0.00 35.03 31.39 3miy n LYS 417 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3miy s LEU 418 N -2.98 1.74 0.59 -0.35 1.43 -0.74 -0.79 118.68 117.59 3miy s LEU 418 Ca 0.43 -0.40 -0.20 0.00 -1.03 0.00 0.00 54.13 52.93 3miy s LEU 418 Cb 0.37 -1.04 -0.03 0.00 0.03 0.00 0.00 46.19 45.51 3miy s LEU 418 CO 0.06 0.04 1.30 0.55 0.23 0.00 0.00 176.35 178.54 3miy n VAL 419 N 3.96 4.32 -4.35 -1.59 3.14 -0.82 -4.64 118.33 118.36 3miy n VAL 419 Ca -0.20 -0.50 -0.26 0.00 -2.96 0.00 0.00 64.34 60.41 3miy n VAL 419 Cb 0.52 -1.55 -0.10 0.00 -1.06 0.00 0.00 33.84 31.64 3miy n VAL 419 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 3miy s GLN 420 N -3.08 1.85 0.05 1.45 -0.21 -1.26 -5.00 119.66 113.46 3miy s GLN 420 Ca 0.77 -1.42 0.04 0.00 0.02 0.00 0.00 55.36 54.77 3miy s GLN 420 Cb -0.40 -2.01 -0.04 0.00 1.00 0.00 0.00 33.01 31.56 3miy s GLN 420 CO 0.45 0.41 -0.05 -0.51 -2.12 0.00 0.00 175.29 173.47 3miy s LEU 421 N -2.91 3.26 0.11 2.90 1.02 -1.26 -1.46 118.68 120.35 3miy s LEU 421 Ca 0.24 -0.19 0.09 0.00 0.02 0.00 0.00 54.13 54.29 3miy s LEU 421 Cb -0.08 -1.95 -0.19 0.00 0.02 0.00 0.00 46.19 43.99 3miy s LEU 421 CO 0.14 0.23 1.19 1.88 0.02 0.00 0.00 176.35 179.80 3miy h TYR 422 N 4.01 0.00 0.00 0.29 -1.99 -0.36 -3.46 116.97 115.45 3miy h TYR 422 Ca -0.48 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.25 3miy h TYR 422 Cb 1.17 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.90 3miy h TYR 422 CO 0.59 0.95 0.00 0.41 -0.00 0.00 0.00 178.16 180.11 3miy n GLY 423 N 1.37 -0.91 3.19 3.88 0.00 -1.09 -4.42 105.19 107.21 3miy n GLY 423 Ca -0.03 -1.17 -0.25 0.00 0.00 0.00 0.00 46.02 44.57 3miy n GLY 423 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3miy s VAL 424 N -3.00 1.48 -0.37 1.61 1.01 -0.95 -0.92 120.40 119.25 3miy s VAL 424 Ca 0.00 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 61.10 3miy s VAL 424 Cb 0.00 -1.24 0.09 0.00 0.00 0.00 0.00 36.38 35.23 3miy s VAL 424 CO 0.00 0.36 0.13 0.00 0.00 0.00 0.00 175.10 175.59 3miy n LEU 426 N 4.55 0.32 0.25 0.00 4.77 -1.26 -1.59 117.00 124.05 3miy n LEU 426 Ca -0.04 -0.23 0.09 0.00 -0.03 0.00 0.00 56.01 55.80 3miy n LEU 426 Cb 0.42 0.00 0.66 0.00 -2.33 0.00 0.00 43.42 42.17 3miy n LEU 426 CO 0.30 0.08 1.00 -0.08 -1.33 0.00 0.00 177.39 177.36 3miy h GLU 427 N 0.00 0.00 -3.46 3.23 4.57 -1.92 -3.43 114.58 113.57 3miy h GLU 427 Ca 0.00 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 57.96 3miy h GLU 427 Cb 0.54 0.00 -0.29 0.00 -0.16 0.00 0.00 28.75 28.85 3miy h GLU 427 CO 0.00 0.09 -0.62 -1.14 -1.18 0.00 0.00 179.01 176.16 3miy s GLN 428 N -4.68 0.09 0.29 1.92 0.74 -1.26 -5.10 119.66 111.66 3miy s GLN 428 Ca -0.04 0.18 -0.29 0.00 0.05 0.00 0.00 55.36 55.26 3miy s GLN 428 Cb 0.16 -0.02 -0.10 0.00 1.10 0.00 0.00 33.01 34.15 3miy s GLN 428 CO 0.64 -0.06 1.10 0.00 -0.55 0.00 0.00 175.29 176.43 3miy s ALA 429 N 0.38 3.40 0.05 1.58 0.00 -1.26 -3.13 121.76 122.77 3miy s ALA 429 Ca -0.03 0.90 -0.30 0.00 0.00 0.00 0.00 51.96 52.53 3miy s ALA 429 Cb -0.04 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 3miy s ALA 429 CO -0.01 -0.18 1.02 -1.25 0.00 0.00 0.00 175.76 175.34 3miy s PRO 430 N -1.50 4.57 0.65 0.00 0.04 -1.26 -5.14 135.00 132.36 3miy s PRO 430 Ca 0.45 1.51 -0.17 0.00 0.04 0.00 0.00 61.00 62.83 3miy s PRO 430 Cb -0.32 -3.41 -0.01 0.00 0.04 0.00 0.00 34.50 30.81 3miy s PRO 430 CO 0.41 -0.01 1.20 0.96 0.04 0.00 0.00 177.00 179.60 3miy s ILE 431 N 0.68 2.54 0.05 0.56 -4.36 -1.18 -4.73 121.20 114.75 3miy s ILE 431 Ca 0.52 0.30 -0.01 0.00 -0.26 0.00 0.00 60.65 61.20 3miy s ILE 431 Cb -0.24 -3.00 -0.04 0.00 1.25 0.00 0.00 42.46 40.44 3miy s ILE 431 CO 0.29 -0.10 -0.03 0.00 0.24 0.00 0.00 174.94 175.34 3miy s LEU 433 N -2.78 3.62 -0.36 0.00 1.02 0.58 -0.90 118.68 119.87 3miy s LEU 433 Ca 0.05 0.13 -0.06 0.00 0.02 0.00 0.00 54.13 54.26 3miy s LEU 433 Cb 0.06 -1.84 0.06 0.00 0.02 0.00 0.00 46.19 44.48 3miy s LEU 433 CO -0.09 0.34 0.14 -0.69 0.02 0.00 0.00 176.35 176.07 3miy s VAL 434 N -0.64 3.79 0.25 -1.59 1.01 -0.10 -0.71 120.40 122.41 3miy s VAL 434 Ca 0.11 -1.29 0.06 0.00 0.00 0.00 0.00 61.98 60.85 3miy s VAL 434 Cb -0.12 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 3miy s VAL 434 CO 0.02 -0.29 0.30 -0.36 0.00 0.00 0.00 175.10 174.76 3miy s PHE 435 N 1.37 3.28 0.59 5.22 0.40 0.52 0.38 117.98 129.75 3miy s PHE 435 Ca 0.00 -0.07 -0.20 0.00 -0.60 0.00 0.00 56.93 56.06 3miy s PHE 435 Cb -0.21 -1.53 -0.03 0.00 0.51 0.00 0.00 43.02 41.76 3miy s PHE 435 CO 0.02 0.45 1.32 -1.83 0.70 0.00 0.00 175.22 175.87 3miy s GLU 436 N -3.93 2.92 0.02 0.44 -1.05 -0.53 -1.51 118.70 115.05 3miy s GLU 436 Ca 0.34 2.12 -0.26 0.00 -0.15 0.00 0.00 54.97 57.02 3miy s GLU 436 Cb -0.08 -2.07 -0.05 0.00 -0.44 0.00 0.00 34.13 31.49 3miy s GLU 436 CO 0.27 -1.33 0.83 0.12 0.95 0.00 0.00 175.26 176.10 3miy s PHE 437 N -1.37 3.70 -0.37 4.83 5.36 -1.21 -4.10 117.98 124.83 3miy s PHE 437 Ca 0.76 1.53 -0.04 0.00 -0.96 0.00 0.00 56.93 58.22 3miy s PHE 437 Cb -0.38 -2.91 0.08 0.00 -0.34 0.00 0.00 43.02 39.46 3miy s PHE 437 CO 0.43 0.17 0.14 -1.64 -1.46 0.00 0.00 175.22 172.86 3miy s MET 438 N 0.33 2.31 0.48 10.12 -1.94 -1.26 -4.94 119.30 124.40 3miy s MET 438 Ca 0.42 -1.51 0.21 0.00 -1.71 0.00 0.00 55.69 53.09 3miy s MET 438 Cb -0.20 -3.48 1.24 0.00 2.01 0.00 0.00 34.83 34.39 3miy s MET 438 CO 0.24 -0.87 1.97 1.05 -0.01 0.00 0.00 175.02 177.41 3miy h GLU 439 N 8.12 0.18 -0.47 2.03 4.11 -1.83 -1.16 114.58 125.55 3miy h GLU 439 Ca -0.18 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.24 3miy h GLU 439 Cb 1.06 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.27 3miy h GLU 439 CO 0.65 0.12 0.00 0.72 0.07 0.00 0.00 179.01 180.57 3miy n HIS 440 N -4.42 0.62 -4.56 2.06 8.25 -0.01 -5.04 115.22 112.12 3miy n HIS 440 Ca 0.11 -0.31 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 3miy n HIS 440 Cb 0.54 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.65 3miy n HIS 440 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3miy n GLY 441 N 1.55 0.43 3.75 -1.41 0.00 -0.44 -4.48 105.19 104.58 3miy n GLY 441 Ca 0.21 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 3miy n GLY 441 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3miy h LEU 443 N 4.73 0.67 -0.43 0.00 5.85 -0.94 -0.41 115.31 124.77 3miy h LEU 443 Ca -0.46 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.36 3miy h LEU 443 Cb 1.22 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 42.09 3miy h LEU 443 CO 0.73 0.41 0.10 0.77 -0.34 0.00 0.00 178.44 180.11 3miy h SER 444 N 0.80 0.04 -0.34 1.25 4.64 -1.77 0.07 113.55 118.24 3miy h SER 444 Ca 0.36 0.07 -0.06 0.00 -0.47 0.00 0.00 61.79 61.69 3miy h SER 444 Cb 0.26 0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 3miy h SER 444 CO -0.21 0.06 -0.01 0.44 -0.87 0.00 0.00 176.83 176.24 3miy h ASP 445 N 0.24 0.59 -0.59 4.97 3.32 -1.74 -2.80 116.42 120.41 3miy h ASP 445 Ca 0.21 -0.31 0.01 0.00 0.02 0.00 0.00 57.03 56.96 3miy h ASP 445 Cb 0.25 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 3miy h ASP 445 CO -0.26 0.76 0.38 0.22 -1.72 0.00 0.00 179.24 178.62 3miy h TYR 446 N 0.40 0.72 -0.85 4.55 3.20 -0.75 -0.74 116.97 123.50 3miy h TYR 446 Ca 0.09 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.99 3miy h TYR 446 Cb 0.46 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.45 3miy h TYR 446 CO 0.04 0.44 0.54 -0.07 -1.64 0.00 0.00 178.16 177.47 3miy h LEU 447 N 0.77 0.99 -0.23 2.82 3.38 -0.97 -1.92 115.31 120.16 3miy h LEU 447 Ca 0.22 -0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.98 3miy h LEU 447 Cb -0.06 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.44 3miy h LEU 447 CO -0.06 0.74 -0.53 0.03 0.09 0.00 0.00 178.44 178.71 3miy h ARG 448 N 1.16 0.76 -0.10 1.13 3.08 -1.17 -1.50 114.38 117.73 3miy h ARG 448 Ca 0.31 -0.51 -0.19 0.00 0.07 0.00 0.00 59.98 59.66 3miy h ARG 448 Cb -0.10 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 3miy h ARG 448 CO -0.06 1.14 -0.71 1.79 -1.07 0.00 0.00 179.97 181.05 3miy h THR 449 N 0.49 1.36 -0.64 2.04 1.35 -1.08 -3.20 112.91 113.22 3miy h THR 449 Ca -0.00 -2.07 0.00 0.00 -0.55 0.00 0.00 66.41 63.79 3miy h THR 449 Cb 1.14 2.05 0.00 0.00 -1.73 0.00 0.00 68.15 69.61 3miy h THR 449 CO 0.12 0.63 0.00 1.67 -0.25 0.00 0.00 175.52 177.69 3miy n GLN 450 N -3.87 2.61 -1.58 4.72 -0.06 -0.73 -5.00 117.38 113.48 3miy n GLN 450 Ca -0.05 -2.49 -0.53 0.00 -2.00 0.00 0.00 57.00 51.93 3miy n GLN 450 Cb 0.70 -1.54 -0.06 0.00 -4.06 0.00 0.00 30.24 25.27 3miy n GLN 450 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 3miy n ARG 451 N 1.56 0.95 -0.00 3.69 0.63 -0.57 -1.59 116.66 121.33 3miy n ARG 451 Ca 0.23 0.34 0.00 0.00 -0.92 0.00 0.00 57.85 57.50 3miy n ARG 451 Cb 0.60 -1.96 0.00 0.00 0.45 0.00 0.00 32.46 31.55 3miy n ARG 451 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3miy n GLY 452 N 2.36 0.33 0.00 5.14 0.00 -1.26 -4.90 105.19 106.85 3miy n GLY 452 Ca 0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.28 3miy n GLY 452 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3miy n LEU 453 N 0.00 0.69 -4.73 0.99 4.77 -0.62 -4.99 117.00 113.11 3miy n LEU 453 Ca 0.00 -0.45 -0.41 0.00 -0.03 0.00 0.00 56.01 55.12 3miy n LEU 453 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 3miy n LEU 453 CO 0.00 0.17 0.59 -0.36 -1.33 0.00 0.00 177.39 176.46 3miy s PHE 454 N -2.58 3.74 0.41 -1.77 0.40 -1.26 -5.06 117.98 111.86 3miy s PHE 454 Ca 0.05 1.64 -0.22 0.00 -0.60 0.00 0.00 56.93 57.80 3miy s PHE 454 Cb 0.12 -2.98 -0.11 0.00 0.51 0.00 0.00 43.02 40.56 3miy s PHE 454 CO 0.66 0.17 0.95 0.00 0.70 0.00 0.00 175.22 177.70 3miy s ALA 455 N 0.27 3.07 0.41 5.36 0.00 -1.26 -4.97 121.76 124.64 3miy s ALA 455 Ca 0.45 0.43 0.13 0.00 0.00 0.00 0.00 51.96 52.97 3miy s ALA 455 Cb -0.22 -3.16 0.96 0.00 0.00 0.00 0.00 23.12 20.70 3miy s ALA 455 CO 0.27 0.13 1.93 0.00 0.00 0.00 0.00 175.76 178.09 3miy h ALA 456 N 2.18 1.98 -0.41 0.00 0.00 -1.97 -1.05 119.26 119.99 3miy h ALA 456 Ca -0.49 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.33 3miy h ALA 456 Cb 1.18 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3miy h ALA 456 CO 0.62 -0.16 -0.11 0.93 0.00 0.00 0.00 179.25 180.53 3miy h GLU 457 N 0.51 0.72 -0.42 0.00 3.07 -1.94 -0.93 114.58 115.59 3miy h GLU 457 Ca 0.35 -0.23 -0.05 0.00 -0.50 0.00 0.00 59.36 58.93 3miy h GLU 457 Cb 0.67 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.49 3miy h GLU 457 CO -0.12 0.81 0.07 1.15 -1.40 0.00 0.00 179.01 179.52 3miy h THR 458 N 0.66 1.24 -0.74 1.13 2.02 -1.61 -1.62 112.91 113.99 3miy h THR 458 Ca 0.11 -0.87 -0.06 0.00 0.77 0.00 0.00 66.41 66.37 3miy h THR 458 Cb 0.56 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 3miy h THR 458 CO 0.03 0.30 0.24 -0.07 0.37 0.00 0.00 175.52 176.39 3miy h LEU 459 N 0.55 1.07 -0.57 2.58 3.38 -1.03 -1.37 115.31 119.93 3miy h LEU 459 Ca 0.13 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 3miy h LEU 459 Cb 0.37 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3miy h LEU 459 CO 0.01 0.99 0.11 0.25 0.09 0.00 0.00 178.44 179.88 3miy h LEU 460 N 1.09 0.89 -1.13 1.67 5.85 -1.11 -2.55 115.31 120.02 3miy h LEU 460 Ca 0.24 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.76 3miy h LEU 460 Cb 0.30 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 3miy h LEU 460 CO -0.01 0.91 0.60 1.23 -0.34 0.00 0.00 178.44 180.83 3miy h GLY 461 N 0.83 1.32 0.99 3.75 0.00 -0.85 0.17 103.07 109.27 3miy h GLY 461 Ca 0.17 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 3miy h GLY 461 CO 0.01 0.35 0.27 -0.33 0.00 0.00 0.00 176.54 176.84 3miy h MET 462 N 1.09 0.61 -0.85 4.80 2.86 -1.03 -0.59 114.93 121.83 3miy h MET 462 Ca 0.38 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.93 3miy h MET 462 Cb 0.10 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.60 3miy h MET 462 CO -0.13 0.45 0.41 0.00 1.06 0.00 0.00 176.91 178.70 3miy h LEU 464 N 1.21 0.31 -0.14 0.00 3.38 -0.63 -0.74 115.31 118.70 3miy h LEU 464 Ca 0.29 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.22 3miy h LEU 464 Cb 0.12 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 3miy h LEU 464 CO -0.04 0.31 -0.25 0.44 0.09 0.00 0.00 178.44 178.99 3miy h ASP 465 N 0.28 -0.78 -0.62 -0.43 3.32 -0.91 0.17 116.42 117.45 3miy h ASP 465 Ca 0.09 0.13 0.02 0.00 0.02 0.00 0.00 57.03 57.28 3miy h ASP 465 Cb 0.07 0.35 -0.04 0.00 0.22 0.00 0.00 39.33 39.93 3miy h ASP 465 CO -0.01 -0.30 0.39 0.58 -1.72 0.00 0.00 179.24 178.18 3miy h VAL 466 N -0.31 1.10 -0.37 -1.35 2.07 -1.32 -2.31 116.25 113.74 3miy h VAL 466 Ca 0.10 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.31 3miy h VAL 466 Cb 0.47 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 3miy h VAL 466 CO -0.32 0.14 0.02 0.00 0.02 0.00 0.00 177.57 177.43 3miy h GLU 468 N 0.56 0.19 -0.65 0.00 5.08 -0.49 0.06 114.58 119.33 3miy h GLU 468 Ca 0.12 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3miy h GLU 468 Cb 0.33 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 3miy h GLU 468 CO 0.01 0.28 0.42 0.78 -1.00 0.00 0.00 179.01 179.51 3miy h GLY 469 N 0.06 0.91 1.41 -3.84 0.00 -1.14 -2.55 103.07 97.92 3miy h GLY 469 Ca 0.04 -0.35 -0.10 0.00 0.00 0.00 0.00 47.33 46.92 3miy h GLY 469 CO -0.00 0.34 -0.18 -0.33 0.00 0.00 0.00 176.54 176.37 3miy h MET 470 N 0.88 0.69 -0.92 4.80 2.86 -0.99 -1.55 114.93 120.70 3miy h MET 470 Ca 0.24 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 3miy h MET 470 Cb -0.09 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.48 3miy h MET 470 CO -0.05 0.83 0.56 0.00 1.06 0.00 0.00 176.91 179.31 3miy h ALA 471 N 1.18 1.18 -0.43 6.32 0.00 -0.78 0.23 119.26 126.96 3miy h ALA 471 Ca 0.10 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3miy h ALA 471 Cb 0.65 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3miy h ALA 471 CO 0.05 0.64 0.14 -0.92 0.00 0.00 0.00 179.25 179.15 3miy h TYR 472 N 1.28 0.68 -0.38 0.00 3.20 -1.11 -1.64 116.97 118.99 3miy h TYR 472 Ca 0.33 -0.07 -0.05 0.00 3.14 0.00 0.00 58.73 62.08 3miy h TYR 472 Cb -0.05 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.01 3miy h TYR 472 CO 0.00 0.62 0.03 -0.07 -1.64 0.00 0.00 178.16 177.10 3miy h LEU 473 N 0.55 0.63 -0.58 2.82 3.38 -0.95 -2.39 115.31 118.77 3miy h LEU 473 Ca 0.14 -0.28 0.10 0.00 0.09 0.00 0.00 57.88 57.92 3miy h LEU 473 Cb 0.25 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 40.75 3miy h LEU 473 CO -0.01 0.76 0.15 -0.08 0.09 0.00 0.00 178.44 179.35 3miy h GLU 474 N 0.49 0.28 -0.31 1.13 4.81 -0.46 -0.18 114.58 120.34 3miy h GLU 474 Ca 0.11 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 3miy h GLU 474 Cb 0.42 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 3miy h GLU 474 CO 0.01 0.19 0.09 1.49 -0.73 0.00 0.00 179.01 180.06 3miy h GLU 475 N 0.29 0.44 -0.09 1.92 4.22 -1.14 -1.73 114.58 118.49 3miy h GLU 475 Ca 0.30 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.68 3miy h GLU 475 Cb 0.41 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3miy h GLU 475 CO -0.36 0.40 0.00 0.00 -2.18 0.00 0.00 179.01 176.87 3miy n ALA 476 N -2.48 2.56 -2.81 2.92 0.00 -0.41 -4.91 120.51 115.37 3miy n ALA 476 Ca 0.01 -0.31 -0.22 0.00 0.00 0.00 0.00 53.44 52.93 3miy n ALA 476 Cb 0.16 -1.18 0.02 0.00 0.00 0.00 0.00 19.45 18.45 3miy n ALA 476 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3miy n SER 477 N -0.23 -6.01 -4.57 0.00 7.64 -0.65 -4.98 113.62 104.82 3miy n SER 477 Ca 0.14 -0.20 -0.39 0.00 1.01 0.00 0.00 58.87 59.43 3miy n SER 477 Cb 0.19 -4.88 -0.10 0.00 -1.01 0.00 0.00 64.21 58.40 3miy n SER 477 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3miy s VAL 478 N -3.13 5.27 -0.23 0.44 1.01 -0.22 -5.02 120.40 118.53 3miy s VAL 478 Ca 0.21 0.07 -0.14 0.00 0.00 0.00 0.00 61.98 62.12 3miy s VAL 478 Cb -0.09 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 3miy s VAL 478 CO 0.26 0.12 0.34 -0.63 0.00 0.00 0.00 175.10 175.18 3miy s ILE 479 N 1.81 5.23 -0.05 2.22 1.01 -1.26 -4.18 121.20 125.98 3miy s ILE 479 Ca 0.08 0.55 -0.25 0.00 0.00 0.00 0.00 60.65 61.02 3miy s ILE 479 Cb -0.16 -3.67 -0.20 0.00 0.01 0.00 0.00 42.46 38.43 3miy s ILE 479 CO 0.11 0.25 1.08 -0.74 0.00 0.00 0.00 174.94 175.64 3miy h HIS 480 N 7.62 -0.05 0.00 3.97 -0.00 -1.90 -3.48 115.15 121.31 3miy h HIS 480 Ca -0.35 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.02 3miy h HIS 480 Cb 1.16 0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.59 3miy h HIS 480 CO 0.70 0.53 0.00 0.54 -0.00 0.00 0.00 177.93 179.70 3miy n ARG 481 N -4.82 0.00 -2.73 5.26 1.74 -1.26 -4.76 116.66 110.09 3miy n ARG 481 Ca -0.09 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 56.95 3miy n ARG 481 Cb 0.30 -1.28 0.06 0.00 -1.02 0.00 0.00 32.46 30.53 3miy n ARG 481 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3miy n ASP 482 N 0.00 0.64 -4.56 0.55 2.03 -1.26 -4.99 116.55 108.96 3miy n ASP 482 Ca 0.00 -2.37 -0.40 0.00 0.52 0.00 0.00 54.79 52.54 3miy n ASP 482 Cb 0.00 -0.14 -0.03 0.00 -0.72 0.00 0.00 41.12 40.23 3miy n ASP 482 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3miy s LEU 483 N -3.51 3.33 0.14 -2.67 2.96 -1.26 -4.73 118.68 112.93 3miy s LEU 483 Ca 0.24 -0.90 0.00 0.00 -0.22 0.00 0.00 54.13 53.26 3miy s LEU 483 Cb 0.40 -2.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 3miy s LEU 483 CO -0.03 -1.77 0.01 0.00 -1.32 0.00 0.00 176.35 173.25 3miy s ALA 484 N 5.82 1.03 0.41 5.97 0.00 -1.26 -4.34 121.76 129.39 3miy s ALA 484 Ca 0.44 -1.48 0.15 0.00 0.00 0.00 0.00 51.96 51.07 3miy s ALA 484 Cb -0.04 0.61 1.02 0.00 0.00 0.00 0.00 23.12 24.71 3miy s ALA 484 CO 0.02 -0.39 1.89 0.00 0.00 0.00 0.00 175.76 177.29 3miy h ALA 485 N 2.84 2.08 0.00 0.00 0.00 -1.91 -0.42 119.26 121.85 3miy h ALA 485 Ca -0.36 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3miy h ALA 485 Cb 1.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3miy h ALA 485 CO 0.62 -0.31 0.00 0.07 0.00 0.00 0.00 179.25 179.62 3miy h ARG 486 N 0.46 0.00 -0.46 0.00 0.11 -1.94 -1.94 114.38 110.61 3miy h ARG 486 Ca 0.41 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.47 3miy h ARG 486 Cb 0.90 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.97 3miy h ARG 486 CO -0.15 0.00 0.01 0.09 0.10 0.00 0.00 179.97 180.03 3miy n ASN 487 N -2.74 4.97 -4.45 0.08 3.02 -0.17 -4.77 115.26 111.20 3miy n ASN 487 Ca 0.00 -3.00 -0.27 0.00 -0.03 0.00 0.00 54.58 51.28 3miy n ASN 487 Cb 0.21 -0.64 -0.11 0.00 -0.61 0.00 0.00 39.78 38.63 3miy n ASN 487 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3miy s LEU 489 N -2.60 2.37 -0.19 0.00 1.43 0.42 -0.78 118.68 119.34 3miy s LEU 489 Ca 0.21 -0.79 0.00 0.00 -1.03 0.00 0.00 54.13 52.52 3miy s LEU 489 Cb -0.08 -0.93 0.01 0.00 0.03 0.00 0.00 46.19 45.22 3miy s LEU 489 CO 0.10 0.04 -0.17 -0.69 0.23 0.00 0.00 176.35 175.86 3miy s VAL 490 N -1.58 2.33 0.00 -1.59 1.01 0.14 -0.97 120.40 119.74 3miy s VAL 490 Ca 0.13 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.26 3miy s VAL 490 Cb -0.08 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.30 3miy s VAL 490 CO 0.06 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.29 3miy n GLY 491 N 4.64 4.03 3.74 4.51 0.00 -0.29 -0.83 105.19 120.99 3miy n GLY 491 Ca -0.20 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 3miy n GLY 491 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3miy s GLU 492 N 3.87 4.25 -1.45 1.61 2.02 -1.26 -2.14 118.70 125.60 3miy s GLU 492 Ca 0.00 2.31 -0.02 0.00 0.02 0.00 0.00 54.97 57.29 3miy s GLU 492 Cb 0.00 -3.12 0.01 0.00 0.10 0.00 0.00 34.13 31.12 3miy s GLU 492 CO 0.00 -0.47 0.14 0.09 0.02 0.00 0.00 175.26 175.05 3miy n ASN 493 N 2.74 -5.07 -1.48 -0.19 5.03 -1.26 -2.60 115.26 112.42 3miy n ASN 493 Ca 0.08 -0.02 -0.17 0.00 0.87 0.00 0.00 54.58 55.34 3miy n ASN 493 Cb 0.40 -4.22 -0.06 0.00 -1.02 0.00 0.00 39.78 34.88 3miy n ASN 493 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3miy n GLN 494 N -3.18 -1.25 -1.99 3.52 6.02 -0.91 -4.97 117.38 114.63 3miy n GLN 494 Ca -0.17 1.05 -0.41 0.00 -0.01 0.00 0.00 57.00 57.46 3miy n GLN 494 Cb 0.64 -5.34 -0.02 0.00 1.02 0.00 0.00 30.24 26.54 3miy n GLN 494 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3miy s VAL 495 N -2.70 2.55 -0.18 5.09 1.01 -1.07 -4.75 120.40 120.35 3miy s VAL 495 Ca 0.00 0.48 -0.08 0.00 0.00 0.00 0.00 61.98 62.38 3miy s VAL 495 Cb 0.00 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 3miy s VAL 495 CO 0.00 0.09 0.09 -0.63 0.00 0.00 0.00 175.10 174.65 3miy s ILE 496 N -0.33 5.07 -0.03 2.22 -1.09 -1.26 -1.14 121.20 124.64 3miy s ILE 496 Ca 0.57 0.06 0.07 0.00 -2.23 0.00 0.00 60.65 59.12 3miy s ILE 496 Cb -0.43 -3.28 -0.02 0.00 -1.58 0.00 0.00 42.46 37.15 3miy s ILE 496 CO 0.48 0.47 -0.23 -0.54 -1.23 0.00 0.00 174.94 173.89 3miy s LYS 497 N 0.18 2.22 0.22 2.79 1.02 -0.15 -4.50 119.74 121.52 3miy s LYS 497 Ca 0.06 -0.87 -0.30 0.00 0.02 0.00 0.00 55.97 54.89 3miy s LYS 497 Cb -0.12 -2.13 -0.08 0.00 -0.52 0.00 0.00 37.83 34.98 3miy s LYS 497 CO -0.00 0.57 1.06 0.08 -0.92 0.00 0.00 175.35 176.14 3miy s VAL 498 N -0.63 3.80 0.39 3.17 1.01 0.03 -0.43 120.40 127.74 3miy s VAL 498 Ca 0.10 1.68 0.08 0.00 0.00 0.00 0.00 61.98 63.84 3miy s VAL 498 Cb -0.10 -4.07 -0.07 0.00 0.00 0.00 0.00 36.38 32.13 3miy s VAL 498 CO -0.01 0.35 0.01 -0.55 0.00 0.00 0.00 175.10 174.90 3miy s SER 499 N -0.57 3.93 -1.32 3.32 0.15 -0.06 -1.94 113.70 117.21 3miy s SER 499 Ca 0.46 -1.29 -0.05 0.00 0.70 0.00 0.00 55.95 55.77 3miy s SER 499 Cb -0.29 -0.41 0.02 0.00 -1.71 0.00 0.00 66.02 63.63 3miy s SER 499 CO 0.36 -0.40 1.03 0.47 1.20 0.00 0.00 173.24 175.90 3miy n ASP 500 N -0.96 -3.91 -0.90 5.45 8.00 -1.26 -4.80 116.55 118.17 3miy n ASP 500 Ca -0.05 -0.64 0.08 0.00 0.71 0.00 0.00 54.79 54.89 3miy n ASP 500 Cb 0.66 -4.77 0.22 0.00 -0.02 0.00 0.00 41.12 37.20 3miy n ASP 500 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 3miy n PHE 501 N -4.56 0.67 1.29 1.24 1.16 -1.26 -4.94 117.46 111.06 3miy n PHE 501 Ca -0.14 -0.52 0.13 0.00 -1.87 0.00 0.00 57.45 55.06 3miy n PHE 501 Cb 0.61 -0.04 0.46 0.00 -1.61 0.00 0.00 39.48 38.91 3miy n PHE 501 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3miy n GLY 502 N 0.84 -0.78 0.00 4.97 0.00 -1.26 -4.90 105.19 104.05 3miy n GLY 502 Ca 0.16 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3miy n GLY 502 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3miy n PRO 521 N -0.82 0.00 0.24 1.61 -0.02 -1.26 -4.88 135.00 129.87 3miy n PRO 521 Ca 0.13 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.70 3miy n PRO 521 Cb 0.32 0.00 0.62 0.00 -0.02 0.00 0.00 33.50 34.42 3miy n PRO 521 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3miy h VAL 522 N 0.00 0.85 0.00 -1.45 3.04 -1.99 -2.39 116.25 114.31 3miy h VAL 522 Ca 0.00 -0.57 -0.01 0.00 -1.01 0.00 0.00 66.70 65.11 3miy h VAL 522 Cb 0.00 1.33 -0.00 0.00 -2.01 0.00 0.00 31.29 30.61 3miy h VAL 522 CO 0.00 0.15 -0.07 0.11 -1.01 0.00 0.00 177.57 176.75 3miy h LYS 523 N 0.00 0.00 -0.16 4.17 1.57 -1.98 -1.85 116.57 118.33 3miy h LYS 523 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3miy h LYS 523 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3miy h LYS 523 CO 0.02 0.07 0.00 0.91 -0.57 0.00 0.00 179.45 179.88 3miy n TRP 524 N -3.60 0.19 -3.08 -1.35 8.01 -0.91 -4.97 117.44 111.73 3miy n TRP 524 Ca -0.02 -0.15 -0.39 0.00 -1.31 0.00 0.00 57.50 55.63 3miy n TRP 524 Cb 0.18 -0.01 -0.05 0.00 -2.01 0.00 0.00 31.31 29.43 3miy n TRP 524 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3miy s ALA 525 N -1.22 3.37 0.75 6.99 0.00 -0.70 -3.85 121.76 127.10 3miy s ALA 525 Ca 0.23 0.07 -0.11 0.00 0.00 0.00 0.00 51.96 52.14 3miy s ALA 525 Cb 0.14 -2.92 0.04 0.00 0.00 0.00 0.00 23.12 20.39 3miy s ALA 525 CO 0.20 -0.12 1.09 -1.54 0.00 0.00 0.00 175.76 175.40 3miy s SER 526 N 0.80 4.65 0.24 0.00 1.04 -1.26 -4.78 113.70 114.39 3miy s SER 526 Ca 0.35 1.84 -0.05 0.00 0.48 0.00 0.00 55.95 58.57 3miy s SER 526 Cb -0.17 -2.52 0.42 0.00 0.10 0.00 0.00 66.02 63.84 3miy s SER 526 CO 0.16 -1.94 1.73 -0.65 0.98 0.00 0.00 173.24 173.53 3miy h PRO 527 N -0.92 0.43 0.00 4.02 0.11 -1.93 -0.45 132.00 133.25 3miy h PRO 527 Ca -0.44 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 3miy h PRO 527 Cb 1.23 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3miy h PRO 527 CO 0.52 0.29 -0.12 1.05 -0.21 0.00 0.00 178.00 179.53 3miy h GLU 528 N 0.44 0.00 0.05 1.05 9.09 -1.90 -0.44 114.58 122.88 3miy h GLU 528 Ca 0.39 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.80 3miy h GLU 528 Cb 0.57 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.67 3miy h GLU 528 CO -0.38 0.12 -0.03 0.28 0.05 0.00 0.00 179.01 179.05 3miy h VAL 529 N 0.00 1.27 0.00 -1.06 2.07 -1.29 -1.17 116.25 116.07 3miy h VAL 529 Ca -0.00 -1.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.01 3miy h VAL 529 Cb 0.51 2.20 -0.00 0.00 -1.52 0.00 0.00 31.29 32.48 3miy h VAL 529 CO 0.02 0.36 -0.01 2.19 0.02 0.00 0.00 177.57 180.14 3miy h PHE 530 N -0.80 0.00 0.04 1.57 -5.15 -0.94 -0.57 116.94 111.09 3miy h PHE 530 Ca -0.01 0.00 -0.38 0.00 -0.20 0.00 0.00 57.97 57.38 3miy h PHE 530 Cb 0.64 0.00 -0.05 0.00 0.22 0.00 0.00 35.95 36.76 3miy h PHE 530 CO 0.15 0.01 -2.31 0.43 -2.00 0.00 0.00 178.31 174.58 3miy n SER 531 N -3.10 2.03 0.00 -0.68 7.64 -0.20 -4.76 113.62 114.55 3miy n SER 531 Ca 0.01 -0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 3miy n SER 531 Cb 0.34 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 3miy n SER 531 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3miy n PHE 532 N -3.38 0.00 -3.53 1.43 3.01 -0.52 -5.01 117.46 109.46 3miy n PHE 532 Ca -0.41 -0.17 -0.26 0.00 1.01 0.00 0.00 57.45 57.61 3miy n PHE 532 Cb 1.00 -0.02 0.01 0.00 -0.01 0.00 0.00 39.48 40.46 3miy n PHE 532 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3miy n SER 533 N -0.17 -4.31 -4.42 4.37 7.64 -0.22 -4.92 113.62 111.60 3miy n SER 533 Ca 0.00 -0.53 -0.44 0.00 1.01 0.00 0.00 58.87 58.91 3miy n SER 533 Cb 0.21 -3.51 -0.04 0.00 -1.01 0.00 0.00 64.21 59.86 3miy n SER 533 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3miy s ARG 534 N -6.21 3.12 -0.05 1.43 1.81 -0.72 -4.94 118.95 113.39 3miy s ARG 534 Ca 0.49 -1.14 -0.13 0.00 -1.72 0.00 0.00 55.73 53.23 3miy s ARG 534 Cb -0.25 -4.30 -0.05 0.00 -0.45 0.00 0.00 34.95 29.90 3miy s ARG 534 CO 0.60 -1.69 0.32 0.71 -0.68 0.00 0.00 175.30 174.57 3miy s TYR 535 N 3.30 3.66 0.34 -0.53 1.51 -1.26 -4.11 117.35 120.26 3miy s TYR 535 Ca 0.18 0.82 -0.16 0.00 -1.01 0.00 0.00 57.07 56.90 3miy s TYR 535 Cb -0.19 -2.21 0.04 0.00 -0.11 0.00 0.00 41.96 39.49 3miy s TYR 535 CO 0.07 0.61 0.73 -1.54 -1.11 0.00 0.00 175.55 174.31 3miy s SER 536 N -0.84 -0.01 0.53 2.29 1.04 -1.26 -4.97 113.70 110.48 3miy s SER 536 Ca 0.21 -1.00 0.19 0.00 0.48 0.00 0.00 55.95 55.83 3miy s SER 536 Cb -0.15 0.79 1.37 0.00 0.10 0.00 0.00 66.02 68.12 3miy s SER 536 CO 0.10 -1.53 2.16 0.28 0.98 0.00 0.00 173.24 175.23 3miy h SER 537 N 2.02 0.00 0.38 7.02 0.02 -1.98 -1.82 113.55 119.20 3miy h SER 537 Ca -0.27 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.56 3miy h SER 537 Cb 1.25 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 3miy h SER 537 CO 0.35 0.00 -0.48 0.11 -1.14 0.00 0.00 176.83 175.67 3miy h LYS 538 N 0.00 0.12 -0.02 3.45 1.79 -1.94 -0.07 116.57 119.91 3miy h LYS 538 Ca 0.02 -0.06 -0.16 0.00 -2.18 0.00 0.00 60.65 58.26 3miy h LYS 538 Cb 0.07 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 3miy h LYS 538 CO -0.00 0.58 -0.73 0.66 -1.08 0.00 0.00 179.45 178.88 3miy h SER 539 N 0.10 0.15 -0.86 0.86 4.64 -1.69 -2.54 113.55 114.20 3miy h SER 539 Ca 0.00 -0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.21 3miy h SER 539 Cb 0.89 -0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 62.89 3miy h SER 539 CO 0.07 0.82 0.50 0.44 -0.87 0.00 0.00 176.83 177.80 3miy h ASP 540 N 0.08 1.06 -0.39 4.97 3.32 -0.90 -1.94 116.42 122.62 3miy h ASP 540 Ca -0.02 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 3miy h ASP 540 Cb 1.28 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.55 3miy h ASP 540 CO 0.10 0.82 0.21 0.58 -1.72 0.00 0.00 179.24 179.24 3miy h VAL 541 N 1.20 1.15 -0.22 -1.35 2.07 -0.80 0.25 116.25 118.55 3miy h VAL 541 Ca 0.31 -0.38 0.05 0.00 0.82 0.00 0.00 66.70 67.49 3miy h VAL 541 Cb -0.02 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 3miy h VAL 541 CO -0.06 0.15 -0.07 -0.25 0.02 0.00 0.00 177.57 177.37 3miy h TRP 542 N 0.50 -0.15 -0.88 1.57 2.91 -1.29 -0.97 115.95 117.63 3miy h TRP 542 Ca 0.14 0.02 0.06 0.00 1.13 0.00 0.00 58.89 60.24 3miy h TRP 542 Cb 0.06 0.10 -0.06 0.00 -0.51 0.00 0.00 29.16 28.75 3miy h TRP 542 CO -0.03 -0.11 0.55 1.03 -1.03 0.00 0.00 178.44 178.85 3miy h SER 543 N -0.02 0.87 -0.90 2.65 0.87 -0.91 -1.10 113.55 115.01 3miy h SER 543 Ca 0.11 0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.70 3miy h SER 543 Cb 0.19 -0.17 -0.05 0.00 -0.44 0.00 0.00 62.40 61.93 3miy h SER 543 CO -0.24 0.56 0.60 0.15 -0.53 0.00 0.00 176.83 177.37 3miy h PHE 544 N 1.01 1.12 -0.54 2.24 3.57 0.07 0.98 116.94 125.38 3miy h PHE 544 Ca 0.38 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.96 3miy h PHE 544 Cb 0.15 -0.38 -0.05 0.00 2.79 0.00 0.00 35.95 38.46 3miy h PHE 544 CO -0.03 0.68 0.26 0.78 -2.23 0.00 0.00 178.31 177.77 3miy h GLY 545 N 1.18 0.76 1.01 2.40 0.00 0.09 0.21 103.07 108.72 3miy h GLY 545 Ca 0.34 -0.17 -0.06 0.00 0.00 0.00 0.00 47.33 47.44 3miy h GLY 545 CO -0.09 0.09 0.11 -2.08 0.00 0.00 0.00 176.54 174.57 3miy h VAL 546 N 0.50 1.25 -0.55 4.60 2.07 -0.88 -2.08 116.25 121.16 3miy h VAL 546 Ca 0.25 -0.94 0.07 0.00 0.82 0.00 0.00 66.70 66.90 3miy h VAL 546 Cb 0.19 0.78 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 3miy h VAL 546 CO -0.19 0.35 0.21 0.25 0.02 0.00 0.00 177.57 178.21 3miy h LEU 547 N 0.82 0.24 -0.67 2.57 6.46 -0.17 0.93 115.31 125.49 3miy h LEU 547 Ca 0.17 0.06 0.08 0.00 -0.12 0.00 0.00 57.88 58.08 3miy h LEU 547 Cb 0.39 0.03 -0.07 0.00 -0.73 0.00 0.00 40.66 40.29 3miy h LEU 547 CO 0.01 0.16 0.33 0.24 -0.62 0.00 0.00 178.44 178.56 3miy h MET 548 N 0.41 0.56 -0.40 1.25 2.86 -0.33 0.40 114.93 119.68 3miy h MET 548 Ca 0.26 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.86 3miy h MET 548 Cb 0.28 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 3miy h MET 548 CO -0.25 0.37 0.22 2.35 1.06 0.00 0.00 176.91 180.66 3miy h TRP 549 N 0.58 0.54 -0.51 -0.22 7.01 -0.60 -0.08 115.95 122.68 3miy h TRP 549 Ca 0.33 -0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.40 3miy h TRP 549 Cb 0.32 -0.17 -0.07 0.00 -2.10 0.00 0.00 29.16 27.14 3miy h TRP 549 CO -0.11 0.42 0.12 0.93 -2.79 0.00 0.00 178.44 177.00 3miy h GLU 550 N 0.51 0.25 0.34 2.65 5.08 0.02 0.93 114.58 124.36 3miy h GLU 550 Ca 0.14 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 3miy h GLU 550 Cb 0.05 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3miy h GLU 550 CO -0.02 0.16 -0.16 0.28 -1.00 0.00 0.00 179.01 178.27 3miy h VAL 551 N 0.26 0.68 0.00 3.13 2.07 -0.56 0.16 116.25 121.99 3miy h VAL 551 Ca 0.26 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 3miy h VAL 551 Cb 0.34 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3miy h VAL 551 CO -0.32 0.07 -0.04 -0.26 0.02 0.00 0.00 177.57 177.04 3miy h PHE 552 N -0.65 0.00 -0.12 1.57 -1.00 -0.90 -0.48 116.94 115.37 3miy h PHE 552 Ca -0.05 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.73 3miy h PHE 552 Cb 0.46 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.02 3miy h PHE 552 CO -0.00 0.04 0.00 -1.13 -1.61 0.00 0.00 178.31 175.61 3miy n SER 553 N -3.18 1.68 -3.62 2.17 3.41 0.31 -4.38 113.62 110.00 3miy n SER 553 Ca -0.00 -1.65 -0.21 0.00 -0.26 0.00 0.00 58.87 56.75 3miy n SER 553 Cb 0.28 -0.07 0.06 0.00 -0.26 0.00 0.00 64.21 64.22 3miy n SER 553 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3miy n GLU 554 N 0.32 -6.02 -0.58 4.33 1.02 -0.19 -3.30 120.64 116.21 3miy n GLU 554 Ca 0.17 0.72 0.00 0.00 -0.02 0.00 0.00 57.16 58.04 3miy n GLU 554 Cb 0.35 -5.56 0.00 0.00 -0.02 0.00 0.00 31.44 26.21 3miy n GLU 554 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3miy n GLY 555 N -1.50 0.68 3.76 0.62 0.00 0.49 -3.81 105.19 105.43 3miy n GLY 555 Ca -0.21 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 3miy n GLY 555 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3miy s LYS 556 N -0.72 2.73 -0.14 1.61 1.02 -1.21 -4.83 119.74 118.21 3miy s LYS 556 Ca 0.00 1.57 -0.29 0.00 0.02 0.00 0.00 55.97 57.27 3miy s LYS 556 Cb 0.00 -1.93 -0.01 0.00 -0.52 0.00 0.00 37.83 35.38 3miy s LYS 556 CO 0.00 -1.33 0.99 0.42 -0.92 0.00 0.00 175.35 174.51 3miy s ILE 557 N -2.07 4.77 0.40 2.17 -1.09 -1.26 -4.75 121.20 119.37 3miy s ILE 557 Ca 0.71 1.99 -0.26 0.00 -2.23 0.00 0.00 60.65 60.86 3miy s ILE 557 Cb -0.24 -4.29 -0.09 0.00 -1.58 0.00 0.00 42.46 36.26 3miy s ILE 557 CO 0.39 -0.04 1.27 -2.16 -1.23 0.00 0.00 174.94 173.17 3miy s PRO 558 N 2.31 4.02 -1.43 2.79 0.04 -1.26 -3.28 135.00 138.19 3miy s PRO 558 Ca 0.46 2.07 -0.07 0.00 0.04 0.00 0.00 61.00 63.51 3miy s PRO 558 Cb -0.17 -2.76 0.04 0.00 0.04 0.00 0.00 34.50 31.65 3miy s PRO 558 CO 0.14 -0.42 0.80 0.66 0.04 0.00 0.00 177.00 178.22 3miy n TYR 559 N 0.17 -2.06 -0.18 0.56 4.02 -1.26 -4.89 117.16 113.52 3miy n TYR 559 Ca 0.04 0.86 -0.04 0.00 -0.01 0.00 0.00 57.90 58.74 3miy n TYR 559 Cb 0.44 -4.11 0.05 0.00 -0.02 0.00 0.00 39.34 35.71 3miy n TYR 559 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 3miy h GLU 560 N -1.96 0.58 -1.03 -0.72 4.81 -1.99 -2.57 114.58 111.71 3miy h GLU 560 Ca -0.60 -0.04 -0.64 0.00 -0.13 0.00 0.00 59.36 57.96 3miy h GLU 560 Cb 1.37 -0.13 -0.28 0.00 0.63 0.00 0.00 28.75 30.34 3miy h GLU 560 CO 0.62 0.39 0.82 0.09 -0.73 0.00 0.00 179.01 180.21 3miy n ASN 561 N -4.82 7.21 -3.99 1.04 3.02 -1.26 -4.94 115.26 111.52 3miy n ASN 561 Ca 0.05 -3.72 -0.18 0.00 -0.03 0.00 0.00 54.58 50.70 3miy n ASN 561 Cb 0.11 -0.97 -0.15 0.00 -0.61 0.00 0.00 39.78 38.17 3miy n ASN 561 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3miy s ARG 562 N -3.63 0.63 0.75 3.52 0.52 -0.97 -5.14 118.95 114.62 3miy s ARG 562 Ca 0.62 -0.26 -0.11 0.00 -0.52 0.00 0.00 55.73 55.45 3miy s ARG 562 Cb 0.49 -0.61 0.04 0.00 0.52 0.00 0.00 34.95 35.39 3miy s ARG 562 CO 0.00 0.15 1.10 -1.54 0.02 0.00 0.00 175.30 175.03 3miy s SER 563 N -0.11 5.02 0.21 0.23 1.04 -1.26 -4.87 113.70 113.95 3miy s SER 563 Ca 0.02 1.18 -0.09 0.00 0.48 0.00 0.00 55.95 57.53 3miy s SER 563 Cb -0.04 -1.93 0.26 0.00 0.10 0.00 0.00 66.02 64.41 3miy s SER 563 CO -0.00 -1.62 1.77 0.78 0.98 0.00 0.00 173.24 175.15 3miy h ASN 564 N -0.85 0.37 -0.67 7.02 4.21 -2.00 -1.19 115.58 122.48 3miy h ASN 564 Ca -0.46 0.06 -0.04 0.00 1.21 0.00 0.00 56.30 57.07 3miy h ASN 564 Cb 1.26 -0.01 -0.03 0.00 -1.12 0.00 0.00 38.32 38.43 3miy h ASN 564 CO 0.62 0.23 0.28 0.77 -1.29 0.00 0.00 177.43 178.04 3miy h SER 565 N 0.52 0.93 -0.57 5.81 4.64 -1.99 -1.70 113.55 121.19 3miy h SER 565 Ca 0.30 -0.13 -0.10 0.00 -0.47 0.00 0.00 61.79 61.39 3miy h SER 565 Cb 0.29 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 3miy h SER 565 CO -0.24 0.82 -0.02 -0.33 -0.87 0.00 0.00 176.83 176.19 3miy h GLU 566 N 1.00 1.02 -0.04 4.77 5.08 -1.76 -0.84 114.58 123.81 3miy h GLU 566 Ca 0.23 -0.34 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3miy h GLU 566 Cb 0.18 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 3miy h GLU 566 CO -0.02 1.02 0.02 0.28 -1.00 0.00 0.00 179.01 179.31 3miy h VAL 567 N 0.90 1.05 -0.33 3.13 2.07 -0.98 0.54 116.25 122.63 3miy h VAL 567 Ca 0.16 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.58 3miy h VAL 567 Cb 0.58 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 3miy h VAL 567 CO 0.03 0.04 0.07 0.58 0.02 0.00 0.00 177.57 178.32 3miy h VAL 568 N 0.00 0.85 0.18 2.57 2.07 -1.22 -0.42 116.25 120.28 3miy h VAL 568 Ca 0.01 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.47 3miy h VAL 568 Cb 0.05 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 3miy h VAL 568 CO -0.00 0.04 -0.20 -0.08 0.02 0.00 0.00 177.57 177.34 3miy h GLU 569 N 0.19 -0.41 -0.41 1.57 4.81 -0.93 -1.07 114.58 118.34 3miy h GLU 569 Ca 0.15 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 3miy h GLU 569 Cb 0.16 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 3miy h GLU 569 CO -0.19 -0.27 0.20 -0.44 -0.73 0.00 0.00 179.01 177.57 3miy h ASP 570 N -0.42 0.54 -0.59 1.04 3.32 -0.62 -1.80 116.42 117.88 3miy h ASP 570 Ca 0.01 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 3miy h ASP 570 Cb 0.41 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 3miy h ASP 570 CO -0.06 0.52 0.32 0.40 -1.72 0.00 0.00 179.24 178.69 3miy h ILE 571 N 0.52 1.20 0.00 0.35 1.08 -1.06 -1.66 117.51 117.94 3miy h ILE 571 Ca 0.14 -0.51 0.00 0.00 -0.39 0.00 0.00 64.86 64.10 3miy h ILE 571 Cb 0.12 0.45 0.00 0.00 -3.07 0.00 0.00 36.82 34.33 3miy h ILE 571 CO -0.02 0.22 0.00 0.28 -0.69 0.00 0.00 178.15 177.94 3miy h SER 572 N 0.80 0.00 0.48 1.72 0.02 -0.90 -1.74 113.55 113.93 3miy h SER 572 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 3miy h SER 572 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 3miy h SER 572 CO -0.03 0.00 -0.39 0.35 -1.14 0.00 0.00 176.83 175.61 3miy n THR 573 N -3.04 0.00 0.00 -2.27 -2.24 -0.70 -4.95 114.28 101.08 3miy n THR 573 Ca -0.00 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 3miy n THR 573 Cb 0.23 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 3miy n THR 573 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3miy n GLY 574 N 1.46 0.67 3.83 3.38 0.00 -0.65 -5.09 105.19 108.79 3miy n GLY 574 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 3miy n GLY 574 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3miy s PHE 575 N -2.00 3.35 0.24 1.61 2.99 -0.66 -5.01 117.98 118.51 3miy s PHE 575 Ca 0.00 1.43 0.02 0.00 0.00 0.00 0.00 56.93 58.38 3miy s PHE 575 Cb 0.00 -2.71 -0.05 0.00 0.00 0.00 0.00 43.02 40.26 3miy s PHE 575 CO 0.00 -0.01 0.06 1.03 -0.00 0.00 0.00 175.22 176.30 3miy s ARG 576 N -3.05 1.35 0.28 0.44 1.81 -1.26 -4.03 118.95 114.48 3miy s ARG 576 Ca 0.58 -1.71 -0.30 0.00 -1.72 0.00 0.00 55.73 52.58 3miy s ARG 576 Cb -0.10 -0.37 -0.13 0.00 -0.45 0.00 0.00 34.95 33.90 3miy s ARG 576 CO 0.15 -0.22 1.43 1.28 -0.68 0.00 0.00 175.30 177.27 3miy n LEU 577 N -0.42 3.54 -4.72 2.53 4.77 -1.26 -4.96 117.00 116.48 3miy n LEU 577 Ca -0.02 1.16 -0.34 0.00 -0.03 0.00 0.00 56.01 56.78 3miy n LEU 577 Cb 0.65 -1.48 0.10 0.00 -2.33 0.00 0.00 43.42 40.36 3miy n LEU 577 CO 0.37 -0.32 0.77 -0.72 -1.33 0.00 0.00 177.39 176.17 3miy s TYR 578 N -0.28 2.03 -0.12 -1.77 -0.85 -1.26 -4.95 117.35 110.14 3miy s TYR 578 Ca 0.64 1.63 -0.29 0.00 -0.52 0.00 0.00 57.07 58.52 3miy s TYR 578 Cb -0.59 -3.43 -0.03 0.00 0.38 0.00 0.00 41.96 38.29 3miy s TYR 578 CO 0.52 -2.58 1.45 0.21 -1.52 0.00 0.00 175.55 173.63 3miy s LYS 579 N -4.07 4.18 0.58 -3.49 2.20 -1.26 -5.00 119.74 112.88 3miy s LYS 579 Ca 0.72 1.87 -0.21 0.00 -0.36 0.00 0.00 55.97 58.00 3miy s LYS 579 Cb -0.27 -3.87 -0.04 0.00 -1.51 0.00 0.00 37.83 32.13 3miy s LYS 579 CO 0.48 -0.80 1.35 -2.14 -0.36 0.00 0.00 175.35 173.87 3miy s PRO 580 N 3.80 2.96 0.29 4.03 0.02 -1.26 -4.90 135.00 139.94 3miy s PRO 580 Ca 0.63 2.21 0.04 0.00 0.02 0.00 0.00 61.00 63.91 3miy s PRO 580 Cb -0.27 -2.14 0.67 0.00 0.02 0.00 0.00 34.50 32.78 3miy s PRO 580 CO 0.22 -1.33 1.80 0.00 -0.33 0.00 0.00 177.00 177.36 3miy h ARG 581 N 1.20 0.82 -0.00 5.54 3.08 -1.95 -1.84 114.38 121.24 3miy h ARG 581 Ca -0.51 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.49 3miy h ARG 581 Cb 1.31 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.18 3miy h ARG 581 CO 0.56 0.54 -0.03 1.28 -1.07 0.00 0.00 179.97 181.25 3miy n LEU 582 N -4.72 0.06 -4.69 3.04 4.77 -1.26 -4.73 117.00 109.47 3miy n LEU 582 Ca 0.22 0.37 -0.38 0.00 -0.03 0.00 0.00 56.01 56.19 3miy n LEU 582 Cb 0.49 -0.39 -0.07 0.00 -2.33 0.00 0.00 43.42 41.12 3miy n LEU 582 CO 0.23 0.01 0.10 0.00 -1.33 0.00 0.00 177.39 176.40 3miy s ALA 583 N -2.82 3.55 0.99 -1.18 0.00 -0.69 -4.81 121.76 116.80 3miy s ALA 583 Ca 0.20 -0.44 -0.12 0.00 0.00 0.00 0.00 51.96 51.59 3miy s ALA 583 Cb 0.19 -2.60 0.18 0.00 0.00 0.00 0.00 23.12 20.90 3miy s ALA 583 CO 0.51 -0.17 1.08 -1.54 0.00 0.00 0.00 175.76 175.64 3miy s SER 584 N 0.86 2.66 0.44 0.00 1.04 -1.26 -4.76 113.70 112.68 3miy s SER 584 Ca 0.20 1.41 0.11 0.00 0.48 0.00 0.00 55.95 58.15 3miy s SER 584 Cb -0.14 -2.08 0.96 0.00 0.10 0.00 0.00 66.02 64.85 3miy s SER 584 CO 0.08 -3.14 2.03 0.71 0.98 0.00 0.00 173.24 173.90 3miy h THR 585 N -1.89 1.10 -0.38 2.02 1.35 -1.98 -0.82 112.91 112.31 3miy h THR 585 Ca -0.53 -0.38 -0.03 0.00 -0.55 0.00 0.00 66.41 64.92 3miy h THR 585 Cb 1.31 0.95 -0.02 0.00 -1.73 0.00 0.00 68.15 68.67 3miy h THR 585 CO 0.54 0.13 0.13 0.45 -0.25 0.00 0.00 175.52 176.52 3miy h HIS 586 N 0.24 0.60 -0.67 4.73 3.86 -2.00 0.28 115.15 122.18 3miy h HIS 586 Ca 0.06 -0.06 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 3miy h HIS 586 Cb 0.14 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.40 3miy h HIS 586 CO 0.00 0.56 0.33 0.28 0.86 0.00 0.00 177.93 179.96 3miy h VAL 587 N 0.46 1.23 -0.50 2.45 2.07 -1.80 -2.93 116.25 117.23 3miy h VAL 587 Ca 0.12 -0.63 -0.06 0.00 0.82 0.00 0.00 66.70 66.95 3miy h VAL 587 Cb 0.23 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3miy h VAL 587 CO -0.01 0.26 0.06 0.22 0.02 0.00 0.00 177.57 178.13 3miy h TYR 588 N 0.93 0.82 -0.61 1.57 3.20 -0.79 -1.67 116.97 120.42 3miy h TYR 588 Ca 0.23 -0.09 0.06 0.00 3.14 0.00 0.00 58.73 62.06 3miy h TYR 588 Cb 0.12 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.10 3miy h TYR 588 CO 0.00 0.73 0.33 1.96 -1.64 0.00 0.00 178.16 179.54 3miy h GLN 589 N 0.75 0.60 -0.69 1.82 4.20 -0.82 -1.31 115.11 119.66 3miy h GLN 589 Ca 0.16 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.77 3miy h GLN 589 Cb 0.37 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 3miy h GLN 589 CO 0.01 0.39 0.17 0.82 -0.67 0.00 0.00 178.83 179.56 3miy h ILE 590 N 0.61 1.26 -0.49 2.54 2.04 -1.22 -1.09 117.51 121.17 3miy h ILE 590 Ca 0.28 -0.95 0.03 0.00 1.00 0.00 0.00 64.86 65.22 3miy h ILE 590 Cb 0.18 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 3miy h ILE 590 CO -0.18 0.36 0.26 0.24 0.00 0.00 0.00 178.15 178.84 3miy h MET 591 N 1.03 0.51 0.00 2.37 2.86 -0.96 -2.30 114.93 118.43 3miy h MET 591 Ca 0.22 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.76 3miy h MET 591 Cb 0.36 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 3miy h MET 591 CO 0.00 0.33 -0.32 -0.91 1.06 0.00 0.00 176.91 177.08 3miy h ASN 592 N 0.52 0.00 -0.78 1.22 2.35 -0.91 -1.65 115.58 116.33 3miy h ASN 592 Ca 0.21 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.96 3miy h ASN 592 Cb 0.08 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.42 3miy h ASN 592 CO -0.13 0.32 0.51 0.45 -1.65 0.00 0.00 177.43 176.93 3miy h HIS 593 N 0.00 0.99 0.00 1.19 3.86 -0.68 -2.36 115.15 118.15 3miy h HIS 593 Ca -0.00 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.18 3miy h HIS 593 Cb 0.59 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 3miy h HIS 593 CO 0.00 0.63 -0.23 0.00 0.86 0.00 0.00 177.93 179.19 3miy n TRP 595 N -3.70 2.83 -2.16 0.00 8.01 -0.86 -3.64 117.44 117.91 3miy n TRP 595 Ca -0.01 -1.79 -0.41 0.00 -1.31 0.00 0.00 57.50 53.98 3miy n TRP 595 Cb 0.34 -0.88 -0.03 0.00 -2.01 0.00 0.00 31.31 28.73 3miy n TRP 595 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.69 176.83 3miy s LYS 596 N -3.28 4.36 0.23 -0.99 -0.14 -1.17 -4.92 119.74 113.83 3miy s LYS 596 Ca 0.56 2.14 -0.06 0.00 -1.36 0.00 0.00 55.97 57.24 3miy s LYS 596 Cb 0.47 -3.15 0.37 0.00 -1.68 0.00 0.00 37.83 33.84 3miy s LYS 596 CO 0.10 -0.26 1.77 1.49 -0.76 0.00 0.00 175.35 177.69 3miy h GLU 597 N 4.82 0.56 -5.94 1.68 4.22 -1.93 -3.40 114.58 114.59 3miy h GLU 597 Ca -0.46 -0.03 -0.58 0.00 0.08 0.00 0.00 59.36 58.37 3miy h GLU 597 Cb 1.22 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 30.28 3miy h GLU 597 CO 0.74 0.37 -0.08 1.03 -2.18 0.00 0.00 179.01 178.90 3miy s ARG 598 N -6.05 4.29 0.36 1.92 0.52 -1.26 -4.70 118.95 114.02 3miy s ARG 598 Ca -0.13 0.59 0.04 0.00 -0.52 0.00 0.00 55.73 55.72 3miy s ARG 598 Cb 0.19 -3.37 0.70 0.00 0.52 0.00 0.00 34.95 32.98 3miy s ARG 598 CO 0.76 0.31 1.98 -1.35 0.02 0.00 0.00 175.30 177.02 3miy h PRO 599 N 6.02 0.78 0.00 3.54 0.11 -1.94 -1.56 132.00 138.94 3miy h PRO 599 Ca -0.44 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3miy h PRO 599 Cb 1.19 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3miy h PRO 599 CO 0.71 0.51 0.00 1.05 -0.21 0.00 0.00 178.00 180.07 3miy h GLU 600 N 0.80 0.00 -0.00 1.05 9.09 -1.94 -2.41 114.58 121.17 3miy h GLU 600 Ca 0.28 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.69 3miy h GLU 600 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.20 3miy h GLU 600 CO -0.08 0.00 -0.51 -0.25 0.05 0.00 0.00 179.01 178.22 3miy n ASP 601 N -2.82 0.99 -4.81 3.06 8.00 -0.59 -4.88 116.55 115.50 3miy n ASP 601 Ca -0.00 -0.79 -0.37 0.00 0.71 0.00 0.00 54.79 54.34 3miy n ASP 601 Cb 0.21 0.38 -0.06 0.00 -0.02 0.00 0.00 41.12 41.63 3miy n ASP 601 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3miy s ARG 602 N -2.76 4.29 0.48 -1.24 0.52 -0.91 -4.87 118.95 114.47 3miy s ARG 602 Ca 0.16 0.90 -0.21 0.00 -0.52 0.00 0.00 55.73 56.06 3miy s ARG 602 Cb 0.18 -2.97 -0.08 0.00 0.52 0.00 0.00 34.95 32.60 3miy s ARG 602 CO 0.65 0.45 1.06 -1.25 0.02 0.00 0.00 175.30 176.23 3miy s PRO 603 N -1.77 3.79 0.75 3.54 0.04 -1.26 -5.02 135.00 135.07 3miy s PRO 603 Ca 0.40 1.46 -0.13 0.00 0.04 0.00 0.00 61.00 62.77 3miy s PRO 603 Cb -0.18 -2.18 0.05 0.00 0.04 0.00 0.00 34.50 32.24 3miy s PRO 603 CO 0.22 -0.46 1.15 0.00 0.04 0.00 0.00 177.00 177.94 3miy s ALA 604 N -1.86 2.12 0.33 8.56 0.00 -1.26 -4.73 121.76 124.92 3miy s ALA 604 Ca 0.66 0.62 0.05 0.00 0.00 0.00 0.00 51.96 53.29 3miy s ALA 604 Cb -0.19 -3.39 0.68 0.00 0.00 0.00 0.00 23.12 20.22 3miy s ALA 604 CO 0.23 -1.85 1.88 0.74 0.00 0.00 0.00 175.76 176.76 3miy h PHE 605 N -0.65 0.95 -0.84 0.00 -1.00 -1.91 0.22 116.94 113.70 3miy h PHE 605 Ca -0.46 0.03 0.06 0.00 2.81 0.00 0.00 57.97 60.41 3miy h PHE 605 Cb 1.26 -0.30 -0.05 0.00 3.61 0.00 0.00 35.95 40.47 3miy h PHE 605 CO 0.52 0.41 0.55 0.66 -1.61 0.00 0.00 178.31 178.84 3miy h SER 606 N 0.85 0.84 0.17 2.17 4.64 -1.89 -0.12 113.55 120.21 3miy h SER 606 Ca 0.43 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.49 3miy h SER 606 Cb 0.49 -0.18 0.02 0.00 -0.31 0.00 0.00 62.40 62.42 3miy h SER 606 CO -0.20 0.55 -1.24 0.03 -0.87 0.00 0.00 176.83 175.10 3miy h ARG 607 N 0.96 0.36 -0.87 4.77 2.47 -1.50 -3.31 114.38 117.26 3miy h ARG 607 Ca 0.36 -0.61 0.19 0.00 -1.26 0.00 0.00 59.98 58.65 3miy h ARG 607 Cb 0.18 0.23 -0.11 0.00 -1.65 0.00 0.00 29.97 28.62 3miy h ARG 607 CO -0.12 1.29 0.41 -0.07 0.56 0.00 0.00 179.97 182.04 3miy h LEU 608 N -0.17 0.42 -0.56 3.04 3.38 -0.44 -2.00 115.31 118.98 3miy h LEU 608 Ca -0.24 0.12 0.09 0.00 0.09 0.00 0.00 57.88 57.95 3miy h LEU 608 Cb 1.86 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 42.61 3miy h LEU 608 CO 0.16 0.10 0.17 0.25 0.09 0.00 0.00 178.44 179.22 3miy h LEU 609 N 0.50 0.13 -0.75 1.67 5.85 -1.11 -0.72 115.31 120.88 3miy h LEU 609 Ca 0.51 0.08 -0.13 0.00 0.84 0.00 0.00 57.88 59.18 3miy h LEU 609 Cb 0.87 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 3miy h LEU 609 CO -0.45 0.09 -0.56 0.03 -0.34 0.00 0.00 178.44 177.20 3miy h ARG 610 N 0.33 0.18 -0.22 1.25 -0.00 -1.49 -1.34 114.38 113.09 3miy h ARG 610 Ca 0.28 -0.11 -0.01 0.00 -0.50 0.00 0.00 59.98 59.64 3miy h ARG 610 Cb 0.36 0.01 -0.01 0.00 0.00 0.00 0.00 29.97 30.33 3miy h ARG 610 CO -0.31 0.69 0.10 1.96 0.00 0.00 0.00 179.97 182.40 3miy h GLN 611 N 0.13 0.32 -0.50 0.04 4.20 -0.90 -2.17 115.11 116.24 3miy h GLN 611 Ca -0.00 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 3miy h GLN 611 Cb 1.04 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.74 3miy h GLN 611 CO 0.08 0.35 0.16 -0.07 -0.67 0.00 0.00 178.83 178.69 3miy h LEU 612 N 0.21 0.73 -1.29 1.46 3.38 -0.99 -2.93 115.31 115.88 3miy h LEU 612 Ca 0.07 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 3miy h LEU 612 Cb 0.15 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3miy h LEU 612 CO -0.01 0.73 0.14 0.00 0.09 0.00 0.00 178.44 179.39 3miy h ALA 613 N 1.02 1.44 -0.42 1.53 0.00 -1.22 -2.65 119.26 118.96 3miy h ALA 613 Ca 0.16 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3miy h ALA 613 Cb 0.26 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3miy h ALA 613 CO -0.01 0.42 -0.07 0.00 0.00 0.00 0.00 179.25 179.60 3miy h ALA 614 N 1.54 1.10 -0.23 0.00 0.00 -1.21 -1.69 119.26 118.77 3miy h ALA 614 Ca 0.15 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3miy h ALA 614 Cb 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3miy h ALA 614 CO -0.01 0.56 0.04 0.82 0.00 0.00 0.00 179.25 180.67 3miy h ILE 615 N 0.66 1.22 -0.91 0.00 2.04 -1.37 -0.93 117.51 118.23 3miy h ILE 615 Ca 0.12 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.25 3miy h ILE 615 Cb 0.51 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 3miy h ILE 615 CO 0.03 0.23 0.58 0.00 0.00 0.00 0.00 178.15 178.99 3miy h ALA 616 N 0.85 1.31 0.00 1.87 0.00 -1.35 -2.62 119.26 119.32 3miy h ALA 616 Ca 0.07 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3miy h ALA 616 Cb 0.31 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3miy h ALA 616 CO 0.00 0.62 -0.44 0.00 0.00 0.00 0.00 179.25 179.44 3miy h ALA 617 N 1.40 0.85 0.00 0.00 0.00 -1.18 -3.24 119.26 117.08 3miy h ALA 617 Ca 0.33 -0.40 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 3miy h ALA 617 Cb -0.11 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3miy h ALA 617 CO -0.07 0.55 -0.83 0.66 0.00 0.00 0.00 179.25 179.56 3miy h SER 618 N 0.00 0.00 0.00 0.00 4.64 -0.80 -3.51 113.55 113.88 3miy h SER 618 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3miy h SER 618 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3miy h SER 618 CO 0.06 0.83 0.00 0.61 -0.87 0.00 0.00 176.83 177.46