============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. PHE 9 1.000 94.646 40.012 58.569 -99.200 -91.000 HIS 10 0.900 89.015 40.961 60.751 -99.200 -91.000 TRP 15 1.040 92.061 49.958 49.894 -99.200 -91.000 TRP6 15 1.020 90.646 51.866 50.068 -99.200 -91.000 PHE 23 1.000 86.092 43.284 41.553 -99.200 -91.000 TYR 26 0.840 79.935 39.048 51.319 -99.200 -91.000 PHE 30 1.000 64.471 37.287 50.341 -99.200 -91.000 PHE 39 1.000 50.372 32.346 66.340 -99.200 -91.000 PHE 41 1.000 58.295 27.289 62.580 -99.200 -91.000 PHE 43 1.000 61.680 28.997 66.759 -99.200 -91.000 PHE 74 1.000 87.024 54.920 57.270 -99.200 -91.000 PHE 75 1.000 84.215 62.994 57.962 -99.200 -91.000 PHE 83 1.000 75.363 51.494 56.114 -99.200 -91.000 HIS 84 0.900 66.288 53.719 61.099 -99.200 -91.000 HIS 87 0.900 66.728 55.013 56.288 -99.200 -91.000 PHE 94 1.000 59.311 48.307 59.267 -99.200 -91.000 PHE 105 1.000 63.095 57.182 69.351 -99.200 -91.000 TYR 107 0.840 69.554 51.242 63.657 -99.200 -91.000 PHE 120 1.000 69.633 61.343 58.115 -99.200 -91.000 HIS 121 0.900 67.375 64.246 53.018 -99.200 -91.000 TYR 132 0.840 66.149 63.335 47.202 -99.200 -91.000 HIS 133 0.900 61.337 65.372 43.374 -99.200 -91.000 PHE 135 1.000 53.977 69.149 49.395 -99.200 -91.000 HIS 141 0.900 76.089 72.184 55.067 -99.200 -91.000 TYR 152 0.840 50.215 75.125 51.144 -99.200 -91.000 TRP 161 1.040 50.938 67.758 40.383 -99.200 -91.000 TRP6 161 1.020 51.250 65.463 39.833 -99.200 -91.000 PHE 174 1.000 55.706 50.824 53.409 -99.200 -91.000 TYR 177 0.840 49.682 41.701 56.226 -99.200 -91.000 PHE 193 1.000 59.323 37.176 72.290 -99.200 -91.000 TYR 196 0.840 64.865 33.332 79.412 -99.200 -91.000 TYR 197 0.840 68.434 28.287 80.694 -99.200 -91.000 HIS 199 0.900 66.162 28.083 69.552 -99.200 -91.000 PHE 203 1.000 76.644 27.789 68.505 -99.200 -91.000 TRP 204 1.040 77.741 21.611 73.947 -99.200 -91.000 TRP6 204 1.020 79.880 22.320 74.609 -99.200 -91.000 PHE 210 1.000 88.837 21.404 65.200 -99.200 -91.000 HIS 214 0.900 89.064 25.942 68.781 -99.200 -91.000 PHE 219 1.000 80.583 30.529 77.557 -99.200 -91.000 PHE 221 1.000 91.510 35.737 77.410 -99.200 -91.000 TYR 230 0.840 79.112 38.677 92.958 -99.200 -91.000 HIS 241 0.900 70.143 26.357 85.240 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1ye9M1 LYS 309 HA -0.07 -0.03 0.23 -0.75 4.32 3.69 1ye9M1 LEU 310 H -0.10 0.19 0.09 -0.55 8.37 8.00 1ye9M1 LEU 310 HA -0.12 0.10 0.71 -0.75 4.35 4.29 1ye9M1 LEU 310 HB2 -0.20 0.03 0.13 -0.04 1.64 1.56 1ye9M1 LEU 310 HB3 -0.22 0.04 0.03 -0.04 1.64 1.45 1ye9M1 LEU 310 HG -0.58 -0.00 0.08 -0.04 1.64 1.10 1ye9M1 LEU 310 HD13 -0.20 -0.02 0.09 -0.04 0.93 0.76 1ye9M1 LEU 310 HD23 -0.48 0.02 0.02 -0.04 0.89 0.41 1ye9M1 THR 311 H -0.06 0.04 -0.35 -0.55 8.28 7.36 1ye9M1 THR 311 HA -0.04 0.08 0.35 -0.75 4.39 4.02 1ye9M1 THR 311 HB -0.02 0.03 0.05 -0.04 4.32 4.34 1ye9M1 THR 311 HG23 -0.03 -0.00 0.00 -0.04 1.22 1.15 1ye9M1 GLY 312 H -0.04 0.20 -0.42 -0.55 8.43 7.62 1ye9M1 GLY 312 HA2 -0.02 0.14 0.63 -0.51 4.01 4.25 1ye9M1 GLY 312 HA3 -0.03 0.03 0.23 -0.51 4.01 3.74 1ye9M1 ARG 313 H -0.05 0.14 0.02 -0.55 8.46 8.02 1ye9M1 ARG 313 HA -0.03 0.05 0.47 -0.75 4.34 4.07 1ye9M1 ASP 314 H -0.05 0.42 -0.09 -0.55 8.40 8.12 1ye9M1 ASP 314 HA 0.00 0.28 0.92 -0.75 4.63 5.09 1ye9M1 ASP 314 HB2 0.04 0.10 -0.20 -0.04 2.71 2.61 1ye9M1 ASP 314 HB3 0.06 -0.05 0.11 -0.04 2.70 2.79 1ye9M1 PRO 315 HA -0.02 0.04 0.35 -0.51 4.44 4.29 1ye9M1 PRO 315 HB2 -0.02 -0.02 0.06 -0.04 2.28 2.26 1ye9M1 PRO 315 HB3 -0.02 0.19 0.15 -0.04 2.02 2.30 1ye9M1 PRO 315 HG2 -0.02 -0.05 -0.01 -0.04 2.03 1.91 1ye9M1 PRO 315 HG3 -0.02 0.08 0.05 -0.04 2.03 2.10 1ye9M1 PRO 315 HD2 -0.01 0.10 0.16 -0.04 3.68 3.89 1ye9M1 PRO 315 HD3 -0.02 0.37 -0.14 -0.04 3.65 3.82 1ye9M1 ASP 316 H 0.02 0.09 -0.67 -0.55 8.40 7.29 1ye9M1 ASP 316 HA -0.00 0.29 1.01 -0.75 4.63 5.18 1ye9M1 ASP 316 HB2 -0.02 0.04 0.01 -0.04 2.71 2.70 1ye9M1 ASP 316 HB3 -0.04 -0.06 0.13 -0.04 2.70 2.69 1ye9M1 PHE 317 H 0.12 0.54 -0.14 -0.55 8.34 8.31 1ye9M1 PHE 317 HA 0.00 0.02 0.18 -0.75 4.62 4.07 1ye9M1 PHE 317 HB2 -0.07 0.24 0.19 -0.04 3.15 3.47 1ye9M1 PHE 317 HB3 -0.19 -0.04 0.12 -0.04 3.06 2.91 1ye9M1 PHE 317 HD2 0.09 -0.00 -0.02 -0.04 7.28 7.31 1ye9M1 PHE 317 HE2 0.08 0.03 -0.02 -0.04 7.38 7.42 1ye9M1 PHE 317 HZ 0.05 0.03 -0.02 -0.04 7.32 7.35 1ye9M1 HIS 318 H -0.01 0.18 -0.08 -0.55 8.41 7.97 1ye9M1 HIS 318 HA -0.10 0.06 0.26 -0.75 4.63 4.09 1ye9M1 HIS 318 HB2 0.07 0.03 0.02 -0.04 3.26 3.34 1ye9M1 HIS 318 HB3 0.05 0.06 0.01 -0.04 3.20 3.28 1ye9M1 HIS 318 HD2 0.29 -0.03 -0.09 -0.04 6.97 7.10 1ye9M1 HIS 318 HE1 0.08 0.02 -0.01 -0.04 7.75 7.80 1ye9M1 ARG 319 H 0.08 0.18 -0.34 -0.55 8.46 7.82 1ye9M1 ARG 319 HA 0.13 0.08 0.42 -0.75 4.34 4.21 1ye9M1 ARG 319 HB2 0.07 -0.01 0.07 -0.04 1.90 1.98 1ye9M1 ARG 319 HB3 0.01 0.12 0.16 -0.04 1.80 2.05 1ye9M1 ARG 319 HG2 0.01 0.00 -0.24 -0.04 1.67 1.40 1ye9M1 ARG 319 HG3 0.13 0.00 0.02 -0.04 1.67 1.78 1ye9M1 ARG 319 HD2 -0.12 -0.00 -0.00 -0.04 3.22 3.06 1ye9M1 ARG 319 HD3 -0.22 -0.03 -0.03 -0.04 3.22 2.91 1ye9M1 ARG 320 H 0.00 0.66 0.00 -0.55 8.46 8.57 1ye9M1 ARG 320 HA 0.02 0.03 0.48 -0.75 4.34 4.12 1ye9M1 ARG 320 HB2 -0.02 -0.02 0.01 -0.04 1.90 1.83 1ye9M1 ARG 320 HB3 -0.07 0.10 0.09 -0.04 1.80 1.88 1ye9M1 ARG 320 HG2 -0.02 -0.00 -0.29 -0.04 1.67 1.31 1ye9M1 ARG 320 HG3 -0.02 -0.01 -0.02 -0.04 1.67 1.58 1ye9M1 ARG 320 HD2 0.04 -0.01 -0.05 -0.04 3.22 3.15 1ye9M1 ARG 320 HD3 0.03 0.01 -0.06 -0.04 3.22 3.16 1ye9M1 GLU 321 H -0.20 0.83 0.08 -0.55 8.60 8.76 1ye9M1 GLU 321 HA -0.10 -0.02 0.37 -0.75 4.29 3.79 1ye9M1 GLU 321 HB2 -0.40 0.15 0.11 -0.04 2.09 1.91 1ye9M1 GLU 321 HB3 -0.14 0.04 -0.12 -0.04 1.99 1.73 1ye9M1 GLU 321 HG2 -0.26 -0.03 0.05 -0.04 2.34 2.05 1ye9M1 GLU 321 HG3 -1.04 -0.03 -0.01 -0.04 2.34 1.22 1ye9M1 LEU 322 H 0.04 0.43 -0.39 -0.55 8.37 7.91 1ye9M1 LEU 322 HA 0.05 0.05 0.38 -0.75 4.35 4.08 1ye9M1 LEU 322 HB2 0.07 -0.03 0.10 -0.04 1.64 1.73 1ye9M1 LEU 322 HB3 0.12 0.14 0.16 -0.04 1.64 2.01 1ye9M1 LEU 322 HG 0.09 0.01 -0.41 -0.04 1.64 1.29 1ye9M1 LEU 322 HD13 0.07 -0.01 0.03 -0.04 0.93 0.98 1ye9M1 LEU 322 HD23 0.09 -0.01 -0.04 -0.04 0.89 0.89 1ye9M1 TRP 323 H 0.27 0.37 -0.25 -0.55 7.97 7.80 1ye9M1 TRP 323 HA 0.03 0.02 0.41 -0.75 4.62 4.32 1ye9M1 TRP 323 HB2 0.03 0.06 0.16 -0.04 3.23 3.44 1ye9M1 TRP 323 HB3 0.01 0.09 0.23 -0.04 3.23 3.53 1ye9M1 TRP 323 HD1 0.02 -0.01 -0.25 -0.04 7.22 6.95 1ye9M1 TRP 323 HE1 0.03 -0.00 -0.04 -0.04 10.20 10.14 1ye9M1 TRP 323 HE3 0.08 0.02 0.01 -0.04 7.59 7.66 1ye9M1 TRP 323 HZ2 0.04 0.01 -0.02 -0.04 7.44 7.42 1ye9M1 TRP 323 HZ3 0.11 -0.06 -0.08 -0.04 7.13 7.06 1ye9M1 TRP 323 HH2 0.06 0.15 -0.10 -0.04 7.19 7.25 1ye9M1 GLU 324 H 0.23 0.61 -0.03 -0.55 8.60 8.86 1ye9M1 GLU 324 HA 0.22 -0.01 0.24 -0.75 4.29 3.98 1ye9M1 GLU 324 HB2 0.09 0.11 0.08 -0.04 2.09 2.33 1ye9M1 GLU 324 HB3 0.08 -0.01 -0.03 -0.04 1.99 1.98 1ye9M1 GLU 324 HG2 0.12 -0.02 0.02 -0.04 2.34 2.42 1ye9M1 GLU 324 HG3 0.24 -0.02 -0.00 -0.04 2.34 2.52 1ye9M1 ALA 325 H 0.06 0.54 -0.11 -0.55 8.40 8.34 1ye9M1 ALA 325 HA 0.04 -0.07 0.53 -0.75 4.34 4.09 1ye9M1 ALA 325 HB3 0.04 0.08 0.09 -0.04 1.41 1.57 1ye9M1 ILE 326 H -0.01 0.39 -0.34 -0.55 8.25 7.74 1ye9M1 ILE 326 HA 0.15 0.06 0.10 -0.75 4.18 3.74 1ye9M1 ILE 326 HB -0.24 0.09 0.09 -0.04 1.89 1.79 1ye9M1 ILE 326 HG12 -0.09 0.06 -0.19 -0.04 1.49 1.23 1ye9M1 ILE 326 HG13 -0.00 0.04 -0.06 -0.04 1.21 1.15 1ye9M1 ILE 326 HG23 -0.30 -0.03 -0.42 -0.04 0.93 0.14 1ye9M1 ILE 326 HD13 -0.10 -0.04 -0.20 -0.04 0.88 0.50 1ye9M1 GLU 327 H -0.12 0.43 -0.07 -0.55 8.60 8.29 1ye9M1 GLU 327 HA -0.03 -0.01 0.46 -0.75 4.29 3.95 1ye9M1 GLU 327 HB2 0.06 0.04 0.14 -0.04 2.09 2.29 1ye9M1 GLU 327 HB3 0.07 -0.00 0.04 -0.04 1.99 2.06 1ye9M1 GLU 327 HG2 0.22 -0.04 -0.02 -0.04 2.34 2.46 1ye9M1 GLU 327 HG3 0.14 -0.05 -0.01 -0.04 2.34 2.38 1ye9M1 ALA 328 H 0.05 0.66 -0.01 -0.55 8.40 8.55 1ye9M1 ALA 328 HA 0.03 -0.07 0.31 -0.75 4.34 3.86 1ye9M1 ALA 328 HB3 0.02 -0.02 0.11 -0.04 1.41 1.48 1ye9M1 GLY 329 H 0.09 0.50 -0.47 -0.55 8.43 8.00 1ye9M1 GLY 329 HA2 -0.12 0.07 0.38 -0.51 4.01 3.83 1ye9M1 GLY 329 HA3 -0.15 0.09 0.80 -0.51 4.01 4.24 1ye9M1 ASP 330 H -0.05 0.08 -0.08 -0.55 8.40 7.81 1ye9M1 ASP 330 HA -0.17 0.06 0.48 -0.75 4.63 4.24 1ye9M1 ASP 330 HB2 -0.01 -0.01 0.10 -0.04 2.71 2.74 1ye9M1 ASP 330 HB3 -0.06 -0.02 0.05 -0.04 2.70 2.63 1ye9M1 PHE 331 H -0.32 0.43 0.35 -0.55 8.34 8.25 1ye9M1 PHE 331 HA -0.03 0.09 0.45 -0.75 4.62 4.38 1ye9M1 PHE 331 HB2 -0.03 -0.15 0.09 -0.04 3.15 3.02 1ye9M1 PHE 331 HB3 -0.02 0.21 0.05 -0.04 3.06 3.26 1ye9M1 PHE 331 HD2 -0.03 -0.11 -0.12 -0.04 7.28 6.98 1ye9M1 PHE 331 HE2 -0.04 0.06 0.07 -0.04 7.38 7.44 1ye9M1 PHE 331 HZ -0.03 -0.06 0.10 -0.04 7.32 7.28 1ye9M1 PRO 332 HA -0.06 0.03 0.58 -0.51 4.44 4.48 1ye9M1 PRO 332 HB2 0.24 -0.05 0.00 -0.04 2.28 2.43 1ye9M1 PRO 332 HB3 0.03 -0.00 0.09 -0.04 2.02 2.09 1ye9M1 PRO 332 HG2 0.10 -0.02 0.07 -0.04 2.03 2.14 1ye9M1 PRO 332 HG3 0.07 0.06 0.08 -0.04 2.03 2.21 1ye9M1 PRO 332 HD2 0.07 0.17 0.29 -0.04 3.68 4.17 1ye9M1 PRO 332 HD3 0.12 0.16 0.20 -0.04 3.65 4.09 1ye9M1 GLU 333 H -0.31 0.18 0.23 -0.55 8.60 8.15 1ye9M1 GLU 333 HA -0.01 0.36 1.09 -0.75 4.29 4.97 1ye9M1 GLU 333 HB2 -0.11 -0.07 0.10 -0.04 2.09 1.96 1ye9M1 GLU 333 HB3 -0.04 -0.02 -0.00 -0.04 1.99 1.88 1ye9M1 GLU 333 HG2 0.03 0.06 -0.25 -0.04 2.34 2.15 1ye9M1 GLU 333 HG3 -0.02 0.14 -0.09 -0.04 2.34 2.32 1ye9M1 TYR 334 H 0.11 0.87 0.42 -0.55 8.29 9.14 1ye9M1 TYR 334 HA 0.01 0.18 1.04 -0.75 4.56 5.04 1ye9M1 TYR 334 HB2 0.01 -0.03 -0.00 -0.04 3.06 2.99 1ye9M1 TYR 334 HB3 0.01 0.02 -0.04 -0.04 2.98 2.93 1ye9M1 TYR 334 HD2 0.00 0.01 -0.16 -0.04 7.15 6.96 1ye9M1 TYR 334 HE2 -0.00 -0.01 -0.10 -0.04 6.85 6.70 1ye9M1 GLU 335 H 0.09 0.19 0.17 -0.55 8.60 8.51 1ye9M1 GLU 335 HA 0.04 0.39 1.28 -0.75 4.29 5.25 1ye9M1 GLU 335 HB2 0.01 -0.02 0.03 -0.04 2.09 2.07 1ye9M1 GLU 335 HB3 0.02 -0.04 0.13 -0.04 1.99 2.06 1ye9M1 GLU 335 HG2 -0.01 -0.09 -0.15 -0.04 2.34 2.05 1ye9M1 GLU 335 HG3 -0.01 0.14 0.04 -0.04 2.34 2.47 1ye9M1 LEU 336 H 0.01 0.53 0.17 -0.55 8.37 8.53 1ye9M1 LEU 336 HA 0.05 0.12 0.65 -0.75 4.35 4.41 1ye9M1 LEU 336 HB2 0.05 0.02 -0.05 -0.04 1.64 1.62 1ye9M1 LEU 336 HB3 -0.00 -0.04 0.05 -0.04 1.64 1.61 1ye9M1 LEU 336 HG -0.04 -0.04 -0.44 -0.04 1.64 1.08 1ye9M1 LEU 336 HD13 0.20 0.01 -0.09 -0.04 0.93 1.02 1ye9M1 LEU 336 HD23 0.15 0.01 -0.12 -0.04 0.89 0.89 1ye9M1 GLY 337 H 0.06 0.24 0.15 -0.55 8.43 8.34 1ye9M1 GLY 337 HA2 -0.12 0.29 0.85 -0.51 4.01 4.52 1ye9M1 GLY 337 HA3 0.02 -0.02 0.02 -0.51 4.01 3.52 1ye9M1 PHE 338 H -0.03 0.38 0.13 -0.55 8.34 8.27 1ye9M1 PHE 338 HA 0.00 0.16 0.84 -0.75 4.62 4.87 1ye9M1 PHE 338 HB2 0.00 -0.00 0.05 -0.04 3.15 3.16 1ye9M1 PHE 338 HB3 -0.00 0.04 -0.11 -0.04 3.06 2.95 1ye9M1 PHE 338 HD2 -0.00 0.03 -0.34 -0.04 7.28 6.92 1ye9M1 PHE 338 HE2 -0.00 0.00 -0.11 -0.04 7.38 7.23 1ye9M1 PHE 338 HZ -0.00 0.01 -0.07 -0.04 7.32 7.22 1ye9M1 GLN 339 H 0.10 0.19 0.11 -0.55 8.47 8.33 1ye9M1 GLN 339 HA 0.08 0.33 0.87 -0.75 4.36 4.89 1ye9M1 GLN 339 HB2 0.03 -0.07 0.15 -0.04 2.15 2.22 1ye9M1 GLN 339 HB3 0.05 0.06 -0.08 -0.04 2.02 2.01 1ye9M1 GLN 339 HG2 0.06 0.10 -0.21 -0.04 2.40 2.31 1ye9M1 GLN 339 HG3 0.06 -0.10 -0.08 -0.04 2.39 2.23 1ye9M1 GLN 339 HE21 0.06 0.14 -0.27 -0.04 6.97 6.86 1ye9M1 GLN 339 HE22 0.07 0.67 -0.03 -0.04 7.69 8.35 1ye9M1 LEU 340 H 0.07 0.25 0.07 -0.55 8.37 8.21 1ye9M1 LEU 340 HA 0.02 0.19 0.82 -0.75 4.35 4.63 1ye9M1 LEU 340 HB2 0.06 0.01 0.02 -0.04 1.64 1.70 1ye9M1 LEU 340 HB3 0.04 -0.04 -0.03 -0.04 1.64 1.57 1ye9M1 LEU 340 HG 0.16 0.00 -0.25 -0.04 1.64 1.51 1ye9M1 LEU 340 HD13 0.11 0.00 -0.04 -0.04 0.93 0.97 1ye9M1 LEU 340 HD23 0.12 0.03 -0.16 -0.04 0.89 0.85 1ye9M1 ILE 341 H -0.00 0.19 0.07 -0.55 8.25 7.96 1ye9M1 ILE 341 HA 0.06 0.17 0.74 -0.75 4.18 4.40 1ye9M1 ILE 341 HB -0.02 -0.04 0.01 -0.04 1.89 1.80 1ye9M1 ILE 341 HG12 0.11 0.09 -0.17 -0.04 1.49 1.48 1ye9M1 ILE 341 HG13 0.02 -0.13 -1.15 -0.04 1.21 -0.09 1ye9M1 ILE 341 HG23 0.10 0.04 -0.17 -0.04 0.93 0.86 1ye9M1 ILE 341 HD13 -0.12 -0.01 -0.14 -0.04 0.88 0.57 1ye9M1 PRO 342 HA -0.00 0.07 0.40 -0.51 4.44 4.40 1ye9M1 PRO 342 HB2 0.02 -0.11 0.02 -0.04 2.28 2.18 1ye9M1 PRO 342 HB3 0.01 0.04 0.12 -0.04 2.02 2.15 1ye9M1 PRO 342 HG2 0.02 0.07 0.06 -0.04 2.03 2.15 1ye9M1 PRO 342 HG3 0.02 0.08 0.05 -0.04 2.03 2.14 1ye9M1 PRO 342 HD2 0.05 0.12 0.16 -0.04 3.68 3.97 1ye9M1 PRO 342 HD3 0.04 0.24 0.08 -0.04 3.65 3.97 1ye9M1 GLU 343 H -0.01 0.15 0.20 -0.55 8.60 8.39 1ye9M1 GLU 343 HA -0.03 0.16 0.33 -0.75 4.29 4.00 1ye9M1 GLU 343 HB2 -0.03 0.06 0.14 -0.04 2.09 2.23 1ye9M1 GLU 343 HB3 0.02 -0.04 0.15 -0.04 1.99 2.07 1ye9M1 GLU 343 HG2 0.06 -0.01 -0.20 -0.04 2.34 2.15 1ye9M1 GLU 343 HG3 0.03 -0.01 0.01 -0.04 2.34 2.33 1ye9M1 GLU 344 H 0.03 0.07 -0.19 -0.55 8.60 7.96 1ye9M1 GLU 344 HA 0.07 0.12 0.45 -0.75 4.29 4.18 1ye9M1 GLU 344 HB2 0.06 0.04 0.11 -0.04 2.09 2.25 1ye9M1 GLU 344 HB3 0.04 -0.02 0.08 -0.04 1.99 2.05 1ye9M1 GLU 344 HG2 0.04 0.07 -0.39 -0.04 2.34 2.02 1ye9M1 GLU 344 HG3 0.03 0.02 -0.05 -0.04 2.34 2.31 1ye9M1 ASP 345 H 0.03 0.31 -0.46 -0.55 8.40 7.73 1ye9M1 ASP 345 HA 0.05 0.07 0.52 -0.75 4.63 4.51 1ye9M1 ASP 345 HB2 0.07 0.23 0.01 -0.04 2.71 2.98 1ye9M1 ASP 345 HB3 0.17 0.01 0.04 -0.04 2.70 2.88 1ye9M1 GLU 346 H -0.03 0.29 -0.66 -0.55 8.60 7.65 1ye9M1 GLU 346 HA -0.18 0.04 0.20 -0.75 4.29 3.60 1ye9M1 GLU 346 HB2 -0.25 0.20 0.17 -0.04 2.09 2.17 1ye9M1 GLU 346 HB3 -0.54 -0.03 0.10 -0.04 1.99 1.47 1ye9M1 GLU 346 HG2 -2.25 -0.03 -0.14 -0.04 2.34 -0.11 1ye9M1 GLU 346 HG3 -0.59 -0.06 0.04 -0.04 2.34 1.69 1ye9M1 PHE 347 H 0.13 0.15 -0.21 -0.55 8.34 7.87 1ye9M1 PHE 347 HA 0.06 0.19 0.84 -0.75 4.62 4.96 1ye9M1 PHE 347 HB2 0.02 0.03 0.04 -0.04 3.15 3.20 1ye9M1 PHE 347 HB3 0.03 0.01 0.15 -0.04 3.06 3.21 1ye9M1 PHE 347 HD2 0.04 0.04 0.01 -0.04 7.28 7.32 1ye9M1 PHE 347 HE2 0.04 -0.01 -0.00 -0.04 7.38 7.37 1ye9M1 PHE 347 HZ 0.04 0.01 0.00 -0.04 7.32 7.33 1ye9M1 LYS 348 H 0.13 0.48 -0.22 -0.55 8.42 8.26 1ye9M1 LYS 348 HA -0.01 0.06 0.31 -0.75 4.32 3.92 1ye9M1 LYS 348 HB2 -0.16 0.18 0.13 -0.04 1.87 1.98 1ye9M1 LYS 348 HB3 -0.28 -0.03 0.20 -0.04 1.79 1.64 1ye9M1 LYS 348 HG2 -0.03 -0.01 0.03 -0.04 1.46 1.40 1ye9M1 LYS 348 HG3 0.03 -0.05 0.00 -0.04 1.46 1.41 1ye9M1 LYS 348 HD2 -0.01 -0.06 0.04 -0.04 1.69 1.62 1ye9M1 LYS 348 HD3 -0.11 0.02 0.04 -0.04 1.68 1.60 1ye9M1 LYS 348 HE2 -0.04 -0.00 0.00 -0.04 2.99 2.91 1ye9M1 LYS 348 HE3 -0.01 -0.00 -0.01 -0.04 2.99 2.93 1ye9M1 PHE 349 H 0.14 0.21 -0.66 -0.55 8.34 7.48 1ye9M1 PHE 349 HA -0.15 0.24 1.09 -0.75 4.62 5.05 1ye9M1 PHE 349 HB2 -0.66 0.20 0.04 -0.04 3.15 2.70 1ye9M1 PHE 349 HB3 -0.92 -0.13 0.09 -0.04 3.06 2.07 1ye9M1 PHE 349 HD2 -0.18 -0.03 -0.10 -0.04 7.28 6.93 1ye9M1 PHE 349 HE2 -0.03 0.02 -0.09 -0.04 7.38 7.24 1ye9M1 PHE 349 HZ -0.02 0.02 -0.09 -0.04 7.32 7.18 1ye9M1 ASP 350 H 0.06 0.14 0.16 -0.55 8.40 8.22 1ye9M1 ASP 350 HA 0.09 0.07 0.44 -0.75 4.63 4.47 1ye9M1 ASP 350 HB2 0.35 -0.01 0.12 -0.04 2.71 3.13 1ye9M1 ASP 350 HB3 0.32 -0.01 -0.02 -0.04 2.70 2.95 1ye9M1 PHE 351 H -0.38 0.15 -0.59 -0.55 8.34 6.97 1ye9M1 PHE 351 HA 0.02 0.16 0.76 -0.75 4.62 4.80 1ye9M1 PHE 351 HB2 -0.14 0.01 0.04 -0.04 3.15 3.02 1ye9M1 PHE 351 HB3 0.02 -0.00 -0.27 -0.04 3.06 2.77 1ye9M1 PHE 351 HD2 0.05 0.05 -0.40 -0.04 7.28 6.94 1ye9M1 PHE 351 HE2 -0.01 -0.01 -0.14 -0.04 7.38 7.18 1ye9M1 PHE 351 HZ -0.15 -0.05 -0.01 -0.04 7.32 7.07 1ye9M1 ASP 352 H 0.12 0.22 0.16 -0.55 8.40 8.36 1ye9M1 ASP 352 HA 0.03 0.15 0.63 -0.75 4.63 4.69 1ye9M1 ASP 352 HB2 0.17 0.07 0.04 -0.04 2.71 2.95 1ye9M1 ASP 352 HB3 -0.16 -0.02 0.06 -0.04 2.70 2.54 1ye9M1 LEU 353 H -0.09 0.24 0.20 -0.55 8.37 8.18 1ye9M1 LEU 353 HA 0.04 0.16 0.26 -0.75 4.35 4.04 1ye9M1 LEU 353 HB2 -0.15 -0.03 0.16 -0.04 1.64 1.57 1ye9M1 LEU 353 HB3 -0.11 -0.01 -0.01 -0.04 1.64 1.48 1ye9M1 LEU 353 HG -0.38 0.15 0.08 -0.04 1.64 1.45 1ye9M1 LEU 353 HD13 -0.20 -0.01 -0.04 -0.04 0.93 0.64 1ye9M1 LEU 353 HD23 -0.47 0.00 -0.06 -0.04 0.89 0.32 1ye9M1 LEU 354 H 0.03 -0.00 -0.38 -0.55 8.37 7.47 1ye9M1 LEU 354 HA 0.03 0.15 0.44 -0.75 4.35 4.21 1ye9M1 LEU 354 HB2 0.32 0.01 -0.07 -0.04 1.64 1.86 1ye9M1 LEU 354 HB3 0.18 -0.06 0.01 -0.04 1.64 1.73 1ye9M1 LEU 354 HG 0.05 -0.02 -0.03 -0.04 1.64 1.59 1ye9M1 LEU 354 HD13 0.10 -0.00 -0.11 -0.04 0.93 0.88 1ye9M1 LEU 354 HD23 0.02 -0.00 -0.13 -0.04 0.89 0.74 1ye9M1 ASP 355 H -0.25 0.39 -0.38 -0.55 8.40 7.61 1ye9M1 ASP 355 HA -0.65 0.06 0.66 -0.75 4.63 3.94 1ye9M1 ASP 355 HB2 -1.68 -0.09 0.08 -0.04 2.71 0.98 1ye9M1 ASP 355 HB3 -0.47 0.25 0.21 -0.04 2.70 2.65 1ye9M1 PRO 356 HA -0.09 0.25 0.42 -0.51 4.44 4.52 1ye9M1 PRO 356 HB2 -0.03 0.05 0.10 -0.04 2.28 2.36 1ye9M1 PRO 356 HB3 -0.02 0.01 0.08 -0.04 2.02 2.06 1ye9M1 PRO 356 HG2 0.01 0.06 0.00 -0.04 2.03 2.06 1ye9M1 PRO 356 HG3 0.05 -0.14 0.12 -0.04 2.03 2.01 1ye9M1 PRO 356 HD2 0.00 0.05 0.24 -0.04 3.68 3.93 1ye9M1 PRO 356 HD3 0.08 0.34 0.45 -0.04 3.65 4.47 1ye9M1 THR 357 H -0.16 0.07 -0.35 -0.55 8.28 7.29 1ye9M1 THR 357 HA -0.09 0.20 0.84 -0.75 4.39 4.59 1ye9M1 THR 357 HB -0.08 0.01 0.14 -0.04 4.32 4.35 1ye9M1 THR 357 HG23 -0.04 -0.01 -0.03 -0.04 1.22 1.10 1ye9M1 LYS 358 H -0.23 0.36 -0.29 -0.55 8.42 7.70 1ye9M1 LYS 358 HA -0.45 0.08 0.87 -0.75 4.32 4.07 1ye9M1 LYS 358 HB2 -0.43 0.22 0.11 -0.04 1.87 1.72 1ye9M1 LYS 358 HB3 -1.10 0.04 -0.05 -0.04 1.79 0.64 1ye9M1 LYS 358 HG2 -0.38 -0.09 -0.09 -0.04 1.46 0.86 1ye9M1 LYS 358 HG3 -0.57 0.00 -0.02 -0.04 1.46 0.83 1ye9M1 LYS 358 HD2 -0.91 -0.02 0.04 -0.04 1.69 0.76 1ye9M1 LYS 358 HD3 -0.32 0.00 -0.91 -0.04 1.68 0.41 1ye9M1 LYS 358 HE2 -0.34 -0.09 0.03 -0.04 2.99 2.54 1ye9M1 LYS 358 HE3 -0.18 -0.09 0.02 -0.04 2.99 2.71 1ye9M1 LEU 359 H 0.03 0.08 0.02 -0.55 8.37 7.97 1ye9M1 LEU 359 HA -0.08 0.14 0.63 -0.75 4.35 4.27 1ye9M1 LEU 359 HB2 -0.01 0.05 -0.03 -0.04 1.64 1.61 1ye9M1 LEU 359 HB3 -0.02 0.01 -0.02 -0.04 1.64 1.58 1ye9M1 LEU 359 HG 0.00 -0.05 -0.03 -0.04 1.64 1.52 1ye9M1 LEU 359 HD13 -0.00 -0.02 -0.46 -0.04 0.93 0.40 1ye9M1 LEU 359 HD23 0.03 0.01 -0.06 -0.04 0.89 0.83 1ye9M1 ILE 360 H -0.02 0.16 0.07 -0.55 8.25 7.92 1ye9M1 ILE 360 HA 0.22 0.17 0.81 -0.75 4.18 4.63 1ye9M1 ILE 360 HB 0.03 -0.03 0.14 -0.04 1.89 1.98 1ye9M1 ILE 360 HG12 -0.04 0.00 -0.04 -0.04 1.49 1.37 1ye9M1 ILE 360 HG13 0.03 0.01 -0.09 -0.04 1.21 1.12 1ye9M1 ILE 360 HG23 0.09 0.03 -0.16 -0.04 0.93 0.84 1ye9M1 ILE 360 HD13 -0.05 0.00 -0.03 -0.04 0.88 0.77 1ye9M1 PRO 361 HA 0.05 0.04 0.29 -0.51 4.44 4.31 1ye9M1 PRO 361 HB2 0.09 -0.10 -0.04 -0.04 2.28 2.19 1ye9M1 PRO 361 HB3 0.03 0.06 0.04 -0.04 2.02 2.12 1ye9M1 PRO 361 HG2 0.23 0.01 0.05 -0.04 2.03 2.28 1ye9M1 PRO 361 HG3 0.10 0.07 0.04 -0.04 2.03 2.20 1ye9M1 PRO 361 HD2 0.37 0.07 0.15 -0.04 3.68 4.22 1ye9M1 PRO 361 HD3 0.22 0.40 0.17 -0.04 3.65 4.40 1ye9M1 GLU 362 H 0.05 0.11 0.15 -0.55 8.60 8.36 1ye9M1 GLU 362 HA 0.06 0.39 0.34 -0.75 4.29 4.32 1ye9M1 GLU 362 HB2 0.03 -0.04 0.05 -0.04 2.09 2.09 1ye9M1 GLU 362 HB3 0.04 -0.02 0.05 -0.04 1.99 2.01 1ye9M1 GLU 362 HG2 0.04 0.10 0.09 -0.04 2.34 2.54 1ye9M1 GLU 362 HG3 0.04 -0.03 0.10 -0.04 2.34 2.41 1ye9M1 GLU 363 H 0.05 0.03 -0.16 -0.55 8.60 7.97 1ye9M1 GLU 363 HA 0.04 0.10 0.33 -0.75 4.29 4.00 1ye9M1 GLU 363 HB2 0.03 0.04 0.03 -0.04 2.09 2.15 1ye9M1 GLU 363 HB3 0.03 -0.01 0.05 -0.04 1.99 2.02 1ye9M1 GLU 363 HG2 0.05 0.01 -0.14 -0.04 2.34 2.22 1ye9M1 GLU 363 HG3 0.03 0.03 -0.04 -0.04 2.34 2.31 1ye9M1 LEU 364 H 0.10 0.16 -0.58 -0.55 8.37 7.50 1ye9M1 LEU 364 HA 0.07 0.13 0.89 -0.75 4.35 4.69 1ye9M1 LEU 364 HB2 0.22 0.05 0.09 -0.04 1.64 1.96 1ye9M1 LEU 364 HB3 0.24 0.01 -0.02 -0.04 1.64 1.83 1ye9M1 LEU 364 HG 0.09 -0.06 -0.13 -0.04 1.64 1.50 1ye9M1 LEU 364 HD13 0.21 -0.02 0.01 -0.04 0.93 1.09 1ye9M1 LEU 364 HD23 -0.02 0.01 0.03 -0.04 0.89 0.86 1ye9M1 VAL 365 H 0.14 0.39 -0.01 -0.55 8.24 8.22 1ye9M1 VAL 365 HA 0.10 0.21 1.00 -0.75 4.13 4.68 1ye9M1 VAL 365 HB 0.10 -0.06 0.04 -0.04 2.12 2.17 1ye9M1 VAL 365 HG13 0.08 0.01 -0.05 -0.04 0.97 0.97 1ye9M1 VAL 365 HG23 0.25 -0.02 -0.15 -0.04 0.95 0.99 1ye9M1 PRO 366 HA 0.05 0.06 0.44 -0.51 4.44 4.47 1ye9M1 PRO 366 HB2 0.03 -0.01 -0.08 -0.04 2.28 2.18 1ye9M1 PRO 366 HB3 0.03 -0.01 0.05 -0.04 2.02 2.06 1ye9M1 PRO 366 HG2 0.03 -0.03 0.04 -0.04 2.03 2.03 1ye9M1 PRO 366 HG3 0.03 0.05 0.02 -0.04 2.03 2.09 1ye9M1 PRO 366 HD2 0.05 0.03 0.20 -0.04 3.68 3.93 1ye9M1 PRO 366 HD3 0.06 0.33 0.10 -0.04 3.65 4.10 1ye9M1 VAL 367 H 0.04 0.09 0.14 -0.55 8.24 7.95 1ye9M1 VAL 367 HA 0.06 0.20 0.60 -0.75 4.13 4.25 1ye9M1 VAL 367 HB 0.03 -0.06 0.15 -0.04 2.12 2.21 1ye9M1 VAL 367 HG13 0.04 -0.02 -0.34 -0.04 0.97 0.62 1ye9M1 VAL 367 HG23 0.05 0.01 -0.04 -0.04 0.95 0.92 1ye9M1 GLN 368 H 0.06 0.77 0.23 -0.55 8.47 8.98 1ye9M1 GLN 368 HA 0.00 0.07 0.64 -0.75 4.36 4.31 1ye9M1 GLN 368 HB2 0.04 0.10 0.20 -0.04 2.15 2.44 1ye9M1 GLN 368 HB3 -0.03 0.03 0.06 -0.04 2.02 2.04 1ye9M1 GLN 368 HG2 -0.00 0.02 0.00 -0.04 2.40 2.38 1ye9M1 GLN 368 HG3 0.01 -0.02 -0.07 -0.04 2.39 2.27 1ye9M1 GLN 368 HE21 0.04 -0.03 0.01 -0.04 6.97 6.95 1ye9M1 GLN 368 HE22 0.04 0.06 -0.03 -0.04 7.69 7.72 1ye9M1 ARG 369 H -0.02 0.19 0.18 -0.55 8.46 8.26 1ye9M1 ARG 369 HA -0.04 -0.03 0.37 -0.75 4.34 3.87 1ye9M1 ARG 369 HB2 -0.04 0.02 -0.07 -0.04 1.90 1.77 1ye9M1 ARG 369 HB3 -0.02 0.00 0.08 -0.04 1.80 1.82 1ye9M1 ARG 369 HG2 -0.01 0.02 0.08 -0.04 1.67 1.72 1ye9M1 ARG 369 HG3 -0.02 -0.08 0.17 -0.04 1.67 1.70 1ye9M1 ARG 369 HD2 -0.01 -0.01 0.01 -0.04 3.22 3.17 1ye9M1 ARG 369 HD3 -0.03 0.01 0.01 -0.04 3.22 3.17 1ye9M1 VAL 370 H -0.12 0.18 0.32 -0.55 8.24 8.07 1ye9M1 VAL 370 HA -0.17 0.17 1.04 -0.75 4.13 4.42 1ye9M1 VAL 370 HB -0.55 0.05 0.17 -0.04 2.12 1.76 1ye9M1 VAL 370 HG13 -0.59 -0.03 -0.11 -0.04 0.97 0.21 1ye9M1 VAL 370 HG23 -0.49 0.01 -0.03 -0.04 0.95 0.41 1ye9M1 GLY 371 H -0.08 0.13 0.31 -0.55 8.43 8.25 1ye9M1 GLY 371 HA2 -0.04 0.09 0.49 -0.51 4.01 4.03 1ye9M1 GLY 371 HA3 -0.05 0.11 0.38 -0.51 4.01 3.94 1ye9M1 LYS 372 H -0.00 0.25 0.21 -0.55 8.42 8.32 1ye9M1 LYS 372 HA 0.02 0.28 1.09 -0.75 4.32 4.96 1ye9M1 LYS 372 HB2 0.00 -0.04 -0.03 -0.04 1.87 1.76 1ye9M1 LYS 372 HB3 0.01 -0.01 0.09 -0.04 1.79 1.84 1ye9M1 LYS 372 HG2 0.03 -0.01 -0.24 -0.04 1.46 1.20 1ye9M1 LYS 372 HG3 0.02 0.07 0.01 -0.04 1.46 1.52 1ye9M1 LYS 372 HD2 0.00 0.02 -0.08 -0.04 1.69 1.59 1ye9M1 LYS 372 HD3 -0.00 -0.03 -0.07 -0.04 1.68 1.54 1ye9M1 LYS 372 HE2 -0.00 -0.02 -0.05 -0.04 2.99 2.88 1ye9M1 LYS 372 HE3 0.01 -0.02 -0.04 -0.04 2.99 2.90 1ye9M1 MET 373 H 0.08 0.83 0.42 -0.55 8.47 9.25 1ye9M1 MET 373 HA 0.05 0.15 0.77 -0.75 4.52 4.74 1ye9M1 MET 373 HB2 0.05 0.05 0.01 -0.04 2.15 2.22 1ye9M1 MET 373 HB3 0.09 -0.02 0.03 -0.04 2.03 2.09 1ye9M1 MET 373 HG2 0.12 -0.04 -0.29 -0.04 2.63 2.38 1ye9M1 MET 373 HG3 0.05 0.04 -0.08 -0.04 2.56 2.53 1ye9M1 MET 373 HE3 -0.11 -0.01 -0.11 -0.04 2.10 1.82 1ye9M1 VAL 374 H 0.05 0.27 0.13 -0.55 8.24 8.13 1ye9M1 VAL 374 HA 0.09 0.37 1.03 -0.75 4.13 4.87 1ye9M1 VAL 374 HB 0.04 -0.04 0.03 -0.04 2.12 2.10 1ye9M1 VAL 374 HG13 0.15 0.03 -0.21 -0.04 0.97 0.90 1ye9M1 VAL 374 HG23 0.06 -0.01 -0.19 -0.04 0.95 0.77 1ye9M1 LEU 375 H 0.08 0.52 0.18 -0.55 8.37 8.60 1ye9M1 LEU 375 HA -0.07 0.10 0.88 -0.75 4.35 4.50 1ye9M1 LEU 375 HB2 0.04 0.04 0.14 -0.04 1.64 1.83 1ye9M1 LEU 375 HB3 -0.05 -0.01 0.00 -0.04 1.64 1.55 1ye9M1 LEU 375 HG 0.01 0.02 -0.03 -0.04 1.64 1.59 1ye9M1 LEU 375 HD13 0.04 -0.01 -0.26 -0.04 0.93 0.66 1ye9M1 LEU 375 HD23 0.15 0.00 -0.07 -0.04 0.89 0.93 1ye9M1 ASN 376 H -0.25 0.08 0.14 -0.55 8.53 7.94 1ye9M1 ASN 376 HA -1.14 0.28 1.00 -0.75 4.76 4.14 1ye9M1 ASN 376 HB2 -1.12 0.03 0.08 -0.04 2.88 1.83 1ye9M1 ASN 376 HB3 -0.86 0.01 -0.17 -0.04 2.79 1.73 1ye9M1 ASN 376 HD21 -0.10 -0.01 -0.03 -0.04 7.03 6.86 1ye9M1 ASN 376 HD22 -0.11 -0.01 -0.06 -0.04 7.74 7.52 1ye9M1 ARG 377 H -0.25 0.05 0.04 -0.55 8.46 7.75 1ye9M1 ARG 377 HA -0.27 0.20 0.92 -0.75 4.34 4.44 1ye9M1 ARG 377 HB2 -0.18 -0.06 -0.15 -0.04 1.90 1.48 1ye9M1 ARG 377 HB3 -0.14 -0.04 0.07 -0.04 1.80 1.65 1ye9M1 ARG 377 HG2 -0.13 0.25 -0.10 -0.04 1.67 1.65 1ye9M1 ARG 377 HG3 -0.14 0.02 0.03 -0.04 1.67 1.54 1ye9M1 ARG 377 HD2 -0.06 -0.02 -0.03 -0.04 3.22 3.07 1ye9M1 ARG 377 HD3 -0.08 -0.04 -0.04 -0.04 3.22 3.01 1ye9M1 ASN 378 H -0.43 0.14 0.05 -0.55 8.53 7.74 1ye9M1 ASN 378 HA -0.36 0.05 0.56 -0.75 4.76 4.26 1ye9M1 ASN 378 HB2 -1.18 -0.01 0.08 -0.04 2.88 1.73 1ye9M1 ASN 378 HB3 -2.22 0.05 0.05 -0.04 2.79 0.63 1ye9M1 ASN 378 HD21 -0.99 0.40 0.18 -0.04 7.03 6.59 1ye9M1 ASN 378 HD22 -1.50 -0.02 0.01 -0.04 7.74 6.19 1ye9M1 PRO 379 HA -0.00 0.12 0.35 -0.51 4.44 4.39 1ye9M1 PRO 379 HB2 0.12 -0.10 -0.14 -0.04 2.28 2.12 1ye9M1 PRO 379 HB3 0.04 0.10 0.01 -0.04 2.02 2.13 1ye9M1 PRO 379 HG2 0.54 -0.02 -0.19 -0.04 2.03 2.31 1ye9M1 PRO 379 HG3 0.25 0.03 -0.04 -0.04 2.03 2.23 1ye9M1 PRO 379 HD2 0.02 0.05 0.18 -0.04 3.68 3.89 1ye9M1 PRO 379 HD3 0.04 0.19 0.15 -0.04 3.65 3.98 1ye9M1 ASP 380 H 0.07 0.07 0.10 -0.55 8.40 8.09 1ye9M1 ASP 380 HA 0.14 0.23 0.66 -0.75 4.63 4.91 1ye9M1 ASP 380 HB2 0.06 -0.04 0.13 -0.04 2.71 2.81 1ye9M1 ASP 380 HB3 0.08 -0.01 -0.06 -0.04 2.70 2.67 1ye9M1 ASN 381 H 0.11 0.14 0.06 -0.55 8.53 8.29 1ye9M1 ASN 381 HA 0.17 0.23 0.82 -0.75 4.76 5.22 1ye9M1 ASN 381 HB2 0.11 0.14 -0.06 -0.04 2.88 3.02 1ye9M1 ASN 381 HB3 0.11 -0.01 0.09 -0.04 2.79 2.93 1ye9M1 ASN 381 HD21 0.11 0.01 0.04 -0.04 7.03 7.15 1ye9M1 ASN 381 HD22 0.10 0.13 0.08 -0.04 7.74 8.01 1ye9M1 PHE 382 H 0.28 0.23 0.08 -0.55 8.34 8.38 1ye9M1 PHE 382 HA 0.12 0.12 0.22 -0.75 4.62 4.33 1ye9M1 PHE 382 HB2 0.05 0.09 0.08 -0.04 3.15 3.33 1ye9M1 PHE 382 HB3 0.07 -0.03 0.16 -0.04 3.06 3.21 1ye9M1 PHE 382 HD2 0.11 0.01 -0.09 -0.04 7.28 7.26 1ye9M1 PHE 382 HE2 0.07 0.05 -0.03 -0.04 7.38 7.43 1ye9M1 PHE 382 HZ 0.05 0.06 -0.03 -0.04 7.32 7.35 1ye9M1 PHE 383 H 0.42 0.13 0.02 -0.55 8.34 8.36 1ye9M1 PHE 383 HA 0.04 0.05 0.51 -0.75 4.62 4.47 1ye9M1 PHE 383 HB2 0.13 0.03 0.12 -0.04 3.15 3.39 1ye9M1 PHE 383 HB3 0.07 -0.05 0.09 -0.04 3.06 3.14 1ye9M1 PHE 383 HD2 0.04 -0.04 -0.09 -0.04 7.28 7.15 1ye9M1 PHE 383 HE2 0.00 0.05 -0.04 -0.04 7.38 7.35 1ye9M1 PHE 383 HZ -0.01 0.09 -0.03 -0.04 7.32 7.32 1ye9M1 ALA 384 H 0.21 0.03 -0.26 -0.55 8.40 7.84 1ye9M1 ALA 384 HA -0.09 0.12 0.24 -0.75 4.34 3.86 1ye9M1 ALA 384 HB3 0.11 0.00 0.05 -0.04 1.41 1.53 1ye9M1 GLU 385 H -0.11 0.11 -0.52 -0.55 8.60 7.53 1ye9M1 GLU 385 HA -0.09 0.18 0.72 -0.75 4.29 4.35 1ye9M1 GLU 385 HB2 -0.01 0.13 0.10 -0.04 2.09 2.26 1ye9M1 GLU 385 HB3 -0.04 0.05 -0.09 -0.04 1.99 1.87 1ye9M1 GLU 385 HG2 -0.03 0.09 0.00 -0.04 2.34 2.37 1ye9M1 GLU 385 HG3 -0.00 -0.03 -0.14 -0.04 2.34 2.13 1ye9M1 ASN 386 H -0.28 0.38 0.20 -0.55 8.53 8.28 1ye9M1 ASN 386 HA -0.17 0.13 0.70 -0.75 4.76 4.67 1ye9M1 ASN 386 HB2 -0.48 -0.07 0.13 -0.04 2.88 2.42 1ye9M1 ASN 386 HB3 -1.44 0.08 0.28 -0.04 2.79 1.67 1ye9M1 ASN 386 HD21 0.13 -0.01 -0.03 -0.04 7.03 7.07 1ye9M1 ASN 386 HD22 -0.03 -0.04 0.00 -0.04 7.74 7.64 1ye9M1 GLU 387 H -0.55 0.23 0.19 -0.55 8.60 7.93 1ye9M1 GLU 387 HA -0.15 0.01 0.33 -0.75 4.29 3.74 1ye9M1 GLU 387 HB2 -0.06 -0.14 0.15 -0.04 2.09 2.00 1ye9M1 GLU 387 HB3 -0.54 0.13 0.25 -0.04 1.99 1.80 1ye9M1 GLU 387 HG2 0.16 -0.06 0.02 -0.04 2.34 2.41 1ye9M1 GLU 387 HG3 -0.10 0.11 -0.07 -0.04 2.34 2.24 1ye9M1 GLN 388 H -0.46 0.40 -0.18 -0.55 8.47 7.69 1ye9M1 GLN 388 HA -0.22 0.06 0.15 -0.75 4.36 3.59 1ye9M1 GLN 388 HB2 -0.24 0.12 -0.12 -0.04 2.15 1.87 1ye9M1 GLN 388 HB3 -0.17 -0.02 0.06 -0.04 2.02 1.85 1ye9M1 GLN 388 HG2 -0.51 -0.01 -0.02 -0.04 2.40 1.82 1ye9M1 GLN 388 HG3 -0.95 0.11 -0.00 -0.04 2.39 1.50 1ye9M1 GLN 388 HE21 -0.02 -0.07 0.05 -0.04 6.97 6.89 1ye9M1 GLN 388 HE22 -0.16 0.30 0.15 -0.04 7.69 7.94 1ye9M1 ALA 389 H -0.16 0.30 -0.82 -0.55 8.40 7.18 1ye9M1 ALA 389 HA -0.18 -0.05 0.26 -0.75 4.34 3.62 1ye9M1 ALA 389 HB3 -0.19 0.04 0.06 -0.04 1.41 1.27 1ye9M1 ALA 390 H -0.28 0.16 0.07 -0.55 8.40 7.81 1ye9M1 ALA 390 HA -0.03 0.18 0.95 -0.75 4.34 4.69 1ye9M1 ALA 390 HB3 0.06 0.02 0.01 -0.04 1.41 1.45 1ye9M1 PHE 391 H 0.30 0.18 0.04 -0.55 8.34 8.30 1ye9M1 PHE 391 HA 0.10 0.21 0.92 -0.75 4.62 5.10 1ye9M1 PHE 391 HB2 0.04 -0.03 0.08 -0.04 3.15 3.21 1ye9M1 PHE 391 HB3 -0.01 -0.02 -0.05 -0.04 3.06 2.95 1ye9M1 PHE 391 HD2 0.01 0.02 -0.06 -0.04 7.28 7.22 1ye9M1 PHE 391 HE2 -0.02 0.04 -0.07 -0.04 7.38 7.30 1ye9M1 PHE 391 HZ -0.02 0.00 -0.04 -0.04 7.32 7.22 1ye9M1 HIS 392 H 0.16 0.28 0.11 -0.55 8.41 8.41 1ye9M1 HIS 392 HA -0.43 0.16 0.74 -0.75 4.63 4.34 1ye9M1 HIS 392 HB2 -0.07 0.18 -0.25 -0.04 3.26 3.09 1ye9M1 HIS 392 HB3 -0.87 0.06 -0.08 -0.04 3.20 2.26 1ye9M1 HIS 392 HD2 -0.50 0.04 -0.22 -0.04 6.97 6.25 1ye9M1 HIS 392 HE1 0.09 0.01 -0.14 -0.04 7.75 7.67 1ye9M1 PRO 393 HA -0.16 0.17 0.26 -0.51 4.44 4.19 1ye9M1 PRO 393 HB2 -0.23 0.03 -0.06 -0.04 2.28 1.98 1ye9M1 PRO 393 HB3 -0.27 0.04 0.05 -0.04 2.02 1.80 1ye9M1 PRO 393 HG2 -0.70 0.04 -0.08 -0.04 2.03 1.26 1ye9M1 PRO 393 HG3 -0.65 0.04 0.01 -0.04 2.03 1.38 1ye9M1 PRO 393 HD2 -1.85 0.12 0.19 -0.04 3.68 2.09 1ye9M1 PRO 393 HD3 -1.04 0.16 0.08 -0.04 3.65 2.81 1ye9M1 GLY 394 H -1.23 0.10 -0.45 -0.55 8.43 6.30 1ye9M1 GLY 394 HA2 0.01 0.06 0.52 -0.51 4.01 4.09 1ye9M1 GLY 394 HA3 0.05 0.05 0.26 -0.51 4.01 3.86 1ye9M1 HIS 395 H 0.03 0.40 -0.44 -0.55 8.41 7.86 1ye9M1 HIS 395 HA 0.07 0.10 0.56 -0.75 4.63 4.60 1ye9M1 HIS 395 HB2 0.07 0.36 0.32 -0.04 3.26 3.97 1ye9M1 HIS 395 HB3 0.05 -0.03 0.16 -0.04 3.20 3.34 1ye9M1 HIS 395 HD2 0.12 0.02 -0.20 -0.04 6.97 6.87 1ye9M1 HIS 395 HE1 0.19 0.05 -0.06 -0.04 7.75 7.89 1ye9M1 ILE 396 H 0.13 0.40 -0.13 -0.55 8.25 8.10 1ye9M1 ILE 396 HA 0.05 0.18 0.77 -0.75 4.18 4.43 1ye9M1 ILE 396 HB -0.03 -0.10 0.05 -0.04 1.89 1.78 1ye9M1 ILE 396 HG12 -0.05 0.09 -0.09 -0.04 1.49 1.40 1ye9M1 ILE 396 HG13 -0.04 0.06 -0.44 -0.04 1.21 0.76 1ye9M1 ILE 396 HG23 0.08 0.01 -0.23 -0.04 0.93 0.75 1ye9M1 ILE 396 HD13 -0.68 -0.03 -0.26 -0.04 0.88 -0.13 1ye9M1 VAL 397 H 0.06 0.17 0.14 -0.55 8.24 8.07 1ye9M1 VAL 397 HA 0.11 0.19 0.73 -0.75 4.13 4.40 1ye9M1 VAL 397 HB 0.07 0.11 0.04 -0.04 2.12 2.30 1ye9M1 VAL 397 HG13 0.04 0.00 -0.16 -0.04 0.97 0.81 1ye9M1 VAL 397 HG23 0.04 -0.03 -0.05 -0.04 0.95 0.87 1ye9M1 PRO 398 HA -0.08 0.04 0.49 -0.51 4.44 4.38 1ye9M1 PRO 398 HB2 0.02 -0.01 0.06 -0.04 2.28 2.31 1ye9M1 PRO 398 HB3 -0.04 0.08 0.07 -0.04 2.02 2.09 1ye9M1 PRO 398 HG2 0.10 0.20 0.01 -0.04 2.03 2.30 1ye9M1 PRO 398 HG3 0.25 -0.03 -0.06 -0.04 2.03 2.16 1ye9M1 PRO 398 HD2 0.10 0.09 0.19 -0.04 3.68 4.02 1ye9M1 PRO 398 HD3 0.18 0.14 0.22 -0.04 3.65 4.15 1ye9M1 GLY 399 H -0.15 0.15 0.19 -0.55 8.43 8.08 1ye9M1 GLY 399 HA2 -0.06 -0.04 0.39 -0.51 4.01 3.79 1ye9M1 GLY 399 HA3 -0.02 0.19 0.84 -0.51 4.01 4.51 1ye9M1 LEU 400 H -0.00 0.50 -0.13 -0.55 8.37 8.19 1ye9M1 LEU 400 HA -0.10 0.16 0.92 -0.75 4.35 4.57 1ye9M1 LEU 400 HB2 -0.03 -0.02 0.07 -0.04 1.64 1.62 1ye9M1 LEU 400 HB3 -0.10 -0.01 0.13 -0.04 1.64 1.61 1ye9M1 LEU 400 HG -0.01 -0.03 -0.20 -0.04 1.64 1.36 1ye9M1 LEU 400 HD13 0.01 -0.03 0.01 -0.04 0.93 0.88 1ye9M1 LEU 400 HD23 -0.08 0.01 -0.02 -0.04 0.89 0.77 1ye9M1 ASP 401 H -0.17 0.32 0.22 -0.55 8.40 8.23 1ye9M1 ASP 401 HA -0.43 0.08 0.35 -0.75 4.63 3.88 1ye9M1 ASP 401 HB2 -0.13 0.08 -0.21 -0.04 2.71 2.41 1ye9M1 ASP 401 HB3 -0.11 0.03 -0.02 -0.04 2.70 2.56 1ye9M1 PHE 402 H -0.35 0.11 0.13 -0.55 8.34 7.68 1ye9M1 PHE 402 HA 0.00 0.21 0.81 -0.75 4.62 4.89 1ye9M1 PHE 402 HB2 0.04 0.04 -0.03 -0.04 3.15 3.15 1ye9M1 PHE 402 HB3 0.01 -0.01 0.13 -0.04 3.06 3.15 1ye9M1 PHE 402 HD2 0.03 -0.00 -0.05 -0.04 7.28 7.22 1ye9M1 PHE 402 HE2 0.00 0.12 -0.01 -0.04 7.38 7.45 1ye9M1 PHE 402 HZ -0.03 0.15 0.03 -0.04 7.32 7.43 1ye9M1 THR 403 H 0.18 0.19 0.23 -0.55 8.28 8.33 1ye9M1 THR 403 HA 0.11 0.23 0.85 -0.75 4.39 4.82 1ye9M1 THR 403 HB 0.04 0.01 0.12 -0.04 4.32 4.45 1ye9M1 THR 403 HG23 0.02 0.05 -0.13 -0.04 1.22 1.12 1ye9M1 ASN 404 H 0.08 0.17 0.10 -0.55 8.53 8.33 1ye9M1 ASN 404 HA 0.06 0.15 0.45 -0.75 4.76 4.66 1ye9M1 ASN 404 HB2 0.07 -0.02 0.08 -0.04 2.88 2.97 1ye9M1 ASN 404 HB3 0.05 0.02 0.15 -0.04 2.79 2.97 1ye9M1 ASN 404 HD21 0.07 0.05 -0.03 -0.04 7.03 7.08 1ye9M1 ASN 404 HD22 0.06 -0.01 0.02 -0.04 7.74 7.78 1ye9M1 ASP 405 H 0.07 0.03 -0.55 -0.55 8.40 7.40 1ye9M1 ASP 405 HA 0.14 0.20 0.62 -0.75 4.63 4.84 1ye9M1 ASP 405 HB2 0.05 0.07 0.17 -0.04 2.71 2.96 1ye9M1 ASP 405 HB3 0.05 -0.02 0.15 -0.04 2.70 2.84 1ye9M1 PRO 406 HA 0.02 0.06 0.34 -0.51 4.44 4.35 1ye9M1 PRO 406 HB2 0.00 0.01 0.05 -0.04 2.28 2.31 1ye9M1 PRO 406 HB3 -0.02 0.08 0.17 -0.04 2.02 2.20 1ye9M1 PRO 406 HG2 0.15 -0.01 0.10 -0.04 2.03 2.23 1ye9M1 PRO 406 HG3 -0.06 0.01 0.13 -0.04 2.03 2.07 1ye9M1 PRO 406 HD2 0.27 0.22 0.33 -0.04 3.68 4.47 1ye9M1 PRO 406 HD3 0.15 0.20 0.34 -0.04 3.65 4.31 1ye9M1 LEU 407 H 0.08 0.15 -0.13 -0.55 8.37 7.92 1ye9M1 LEU 407 HA 0.03 0.12 0.71 -0.75 4.35 4.45 1ye9M1 LEU 407 HB2 0.05 0.01 0.11 -0.04 1.64 1.77 1ye9M1 LEU 407 HB3 0.03 -0.01 0.07 -0.04 1.64 1.68 1ye9M1 LEU 407 HG 0.03 0.01 -0.14 -0.04 1.64 1.49 1ye9M1 LEU 407 HD13 0.02 0.00 0.05 -0.04 0.93 0.97 1ye9M1 LEU 407 HD23 0.01 0.02 -0.03 -0.04 0.89 0.85 1ye9M1 LEU 408 H 0.02 0.09 -0.11 -0.55 8.37 7.82 1ye9M1 LEU 408 HA -0.01 0.03 0.37 -0.75 4.35 3.98 1ye9M1 LEU 408 HB2 -0.00 0.00 0.08 -0.04 1.64 1.69 1ye9M1 LEU 408 HB3 0.02 0.03 0.14 -0.04 1.64 1.78 1ye9M1 LEU 408 HG -0.09 0.06 -0.38 -0.04 1.64 1.19 1ye9M1 LEU 408 HD13 -0.05 0.00 -0.04 -0.04 0.93 0.79 1ye9M1 LEU 408 HD23 0.12 0.02 0.07 -0.04 0.89 1.06 1ye9M1 GLN 409 H -0.00 0.51 -0.20 -0.55 8.47 8.24 1ye9M1 GLN 409 HA -0.10 0.05 0.29 -0.75 4.36 3.85 1ye9M1 GLN 409 HB2 -0.01 -0.02 0.10 -0.04 2.15 2.19 1ye9M1 GLN 409 HB3 -0.02 -0.02 -0.01 -0.04 2.02 1.93 1ye9M1 GLN 409 HG2 0.01 0.15 -0.07 -0.04 2.40 2.44 1ye9M1 GLN 409 HG3 0.01 -0.00 -0.14 -0.04 2.39 2.22 1ye9M1 GLN 409 HE21 0.07 -0.05 -0.22 -0.04 6.97 6.74 1ye9M1 GLN 409 HE22 0.06 0.30 -0.13 -0.04 7.69 7.87 1ye9M1 GLY 410 H 0.00 0.32 -0.07 -0.55 8.43 8.14 1ye9M1 GLY 410 HA2 0.03 -0.01 0.37 -0.51 4.01 3.88 1ye9M1 GLY 410 HA3 0.02 0.07 0.33 -0.51 4.01 3.93 1ye9M1 ARG 411 H 0.05 0.55 -0.19 -0.55 8.46 8.32 1ye9M1 ARG 411 HA 0.17 -0.07 0.44 -0.75 4.34 4.12 1ye9M1 ARG 411 HB2 0.03 0.12 0.14 -0.04 1.90 2.15 1ye9M1 ARG 411 HB3 0.06 -0.04 -0.07 -0.04 1.80 1.70 1ye9M1 ARG 411 HG2 0.47 -0.05 0.06 -0.04 1.67 2.12 1ye9M1 ARG 411 HG3 0.12 0.01 0.02 -0.04 1.67 1.78 1ye9M1 ARG 411 HD2 0.08 -0.02 -0.06 -0.04 3.22 3.17 1ye9M1 ARG 411 HD3 0.01 -0.01 -0.06 -0.04 3.22 3.12 1ye9M1 LEU 412 H 0.01 0.86 -0.43 -0.55 8.37 8.26 1ye9M1 LEU 412 HA -0.07 -0.09 0.17 -0.75 4.35 3.60 1ye9M1 LEU 412 HB2 -0.08 0.21 0.14 -0.04 1.64 1.87 1ye9M1 LEU 412 HB3 -0.09 -0.08 0.04 -0.04 1.64 1.47 1ye9M1 LEU 412 HG -0.33 0.25 0.01 -0.04 1.64 1.54 1ye9M1 LEU 412 HD13 -0.89 -0.03 -0.02 -0.04 0.93 -0.06 1ye9M1 LEU 412 HD23 -0.47 -0.04 -0.12 -0.04 0.89 0.23 1ye9M1 PHE 413 H 0.23 0.75 -0.20 -0.55 8.34 8.57 1ye9M1 PHE 413 HA 0.03 0.09 0.62 -0.75 4.62 4.61 1ye9M1 PHE 413 HB2 -0.00 -0.02 0.08 -0.04 3.15 3.16 1ye9M1 PHE 413 HB3 0.00 0.16 0.20 -0.04 3.06 3.38 1ye9M1 PHE 413 HD2 -0.01 0.02 -0.04 -0.04 7.28 7.20 1ye9M1 PHE 413 HE2 -0.02 -0.00 -0.03 -0.04 7.38 7.29 1ye9M1 PHE 413 HZ -0.02 -0.00 -0.02 -0.04 7.32 7.24 1ye9M1 SER 414 H 0.19 0.34 -0.00 -0.55 8.46 8.45 1ye9M1 SER 414 HA -0.27 0.00 0.31 -0.75 4.49 3.78 1ye9M1 SER 414 HB2 0.04 -0.02 0.06 -0.04 3.95 3.99 1ye9M1 SER 414 HB3 -0.01 0.10 0.15 -0.04 3.93 4.13 1ye9M1 TYR 415 H 0.45 0.43 -0.06 -0.55 8.29 8.56 1ye9M1 TYR 415 HA 0.00 0.05 0.27 -0.75 4.56 4.13 1ye9M1 TYR 415 HB2 8.18 -0.04 0.07 -0.04 3.06 11.24 1ye9M1 TYR 415 HB3 0.45 0.10 0.12 -0.04 2.98 3.60 1ye9M1 TYR 415 HD2 0.04 0.40 0.19 -0.04 7.15 7.74 1ye9M1 TYR 415 HE2 -0.02 -0.03 0.04 -0.04 6.85 6.80 1ye9M1 THR 416 H -0.31 0.19 -0.56 -0.55 8.28 7.05 1ye9M1 THR 416 HA -0.35 0.13 0.50 -0.75 4.39 3.92 1ye9M1 THR 416 HB -0.32 0.13 0.11 -0.04 4.32 4.20 1ye9M1 THR 416 HG23 -0.21 -0.14 -0.04 -0.04 1.22 0.78 1ye9M1 ASP 417 H -0.42 0.32 0.10 -0.55 8.40 7.85 1ye9M1 ASP 417 HA -0.24 -0.01 0.45 -0.75 4.63 4.07 1ye9M1 ASP 417 HB2 -0.88 0.08 0.14 -0.04 2.71 2.01 1ye9M1 ASP 417 HB3 -0.47 0.06 0.12 -0.04 2.70 2.37 1ye9M1 THR 418 H -0.25 0.56 -0.32 -0.55 8.28 7.72 1ye9M1 THR 418 HA -0.15 -0.02 0.22 -0.75 4.39 3.70 1ye9M1 THR 418 HB -0.20 0.10 0.07 -0.04 4.32 4.24 1ye9M1 THR 418 HG23 -0.17 0.02 -0.18 -0.04 1.22 0.85 1ye9M1 GLN 419 H -0.32 0.45 -0.16 -0.55 8.47 7.90 1ye9M1 GLN 419 HA -0.31 0.01 0.46 -0.75 4.36 3.77 1ye9M1 GLN 419 HB2 -0.96 0.07 0.03 -0.04 2.15 1.24 1ye9M1 GLN 419 HB3 -1.20 -0.04 0.04 -0.04 2.02 0.79 1ye9M1 GLN 419 HG2 -0.45 0.34 0.22 -0.04 2.40 2.47 1ye9M1 GLN 419 HG3 -0.92 -0.04 0.05 -0.04 2.39 1.44 1ye9M1 GLN 419 HE21 -0.05 -0.04 0.01 -0.04 6.97 6.85 1ye9M1 GLN 419 HE22 -0.08 0.19 0.06 -0.04 7.69 7.82 1ye9M1 ILE 420 H -0.20 0.42 -0.47 -0.55 8.25 7.45 1ye9M1 ILE 420 HA -0.06 -0.01 0.10 -0.75 4.18 3.46 1ye9M1 ILE 420 HB -0.09 0.26 0.16 -0.04 1.89 2.18 1ye9M1 ILE 420 HG12 -0.08 0.10 -0.01 -0.04 1.49 1.45 1ye9M1 ILE 420 HG13 -0.03 -0.05 -0.01 -0.04 1.21 1.09 1ye9M1 ILE 420 HG23 -0.02 -0.03 -0.18 -0.04 0.93 0.66 1ye9M1 ILE 420 HD13 0.05 -0.01 -0.21 -0.04 0.88 0.67 1ye9M1 SER 421 H -0.09 0.24 -0.14 -0.55 8.46 7.93 1ye9M1 SER 421 HA -0.03 0.12 0.81 -0.75 4.49 4.64 1ye9M1 SER 421 HB2 -0.03 -0.00 0.04 -0.04 3.95 3.92 1ye9M1 SER 421 HB3 -0.03 -0.03 0.05 -0.04 3.93 3.87 1ye9M1 ARG 422 H -0.09 0.37 0.08 -0.55 8.46 8.27 1ye9M1 ARG 422 HA -0.03 -0.02 0.37 -0.75 4.34 3.90 1ye9M1 ARG 422 HB2 -0.08 -0.01 0.11 -0.04 1.90 1.88 1ye9M1 ARG 422 HB3 -0.12 0.04 0.03 -0.04 1.80 1.71 1ye9M1 ARG 422 HG2 -0.05 0.06 -0.10 -0.04 1.67 1.54 1ye9M1 ARG 422 HG3 -0.03 -0.08 0.05 -0.04 1.67 1.57 1ye9M1 ARG 422 HD2 -0.03 -0.08 -0.01 -0.04 3.22 3.05 1ye9M1 ARG 422 HD3 -0.07 -0.01 -0.05 -0.04 3.22 3.05 1ye9M1 LEU 423 H -0.10 0.60 -0.11 -0.55 8.37 8.21 1ye9M1 LEU 423 HA -0.03 0.14 0.85 -0.75 4.35 4.56 1ye9M1 LEU 423 HB2 -0.08 0.02 0.00 -0.04 1.64 1.54 1ye9M1 LEU 423 HB3 0.02 -0.03 0.10 -0.04 1.64 1.68 1ye9M1 LEU 423 HG -0.13 -0.14 -0.21 -0.04 1.64 1.12 1ye9M1 LEU 423 HD13 -0.12 0.02 -0.04 -0.04 0.93 0.74 1ye9M1 LEU 423 HD23 -0.08 0.05 -0.06 -0.04 0.89 0.76 1ye9M1 GLY 424 H -0.03 0.12 -0.28 -0.55 8.43 7.70 1ye9M1 GLY 424 HA2 -0.00 0.07 0.30 -0.51 4.01 3.87 1ye9M1 GLY 424 HA3 0.01 -0.01 -0.03 -0.51 4.01 3.47 1ye9M1 GLY 425 H 0.02 0.21 0.13 -0.55 8.43 8.24 1ye9M1 GLY 425 HA2 0.05 -0.02 0.36 -0.51 4.01 3.89 1ye9M1 GLY 425 HA3 0.07 0.15 0.75 -0.51 4.01 4.48 1ye9M1 PRO 426 HA 0.30 0.12 0.37 -0.51 4.44 4.72 1ye9M1 PRO 426 HB2 0.08 0.05 0.18 -0.04 2.28 2.56 1ye9M1 PRO 426 HB3 0.09 -0.01 0.09 -0.04 2.02 2.14 1ye9M1 PRO 426 HG2 0.08 0.17 -0.10 -0.04 2.03 2.13 1ye9M1 PRO 426 HG3 0.06 0.00 0.08 -0.04 2.03 2.13 1ye9M1 PRO 426 HD2 0.08 0.10 0.15 -0.04 3.68 3.97 1ye9M1 PRO 426 HD3 0.06 0.09 0.23 -0.04 3.65 3.98 1ye9M1 ASN 427 H 0.16 0.24 -0.82 -0.55 8.53 7.56 1ye9M1 ASN 427 HA 0.06 0.14 0.76 -0.75 4.76 4.97 1ye9M1 ASN 427 HB2 0.06 0.26 -0.13 -0.04 2.88 3.02 1ye9M1 ASN 427 HB3 -0.05 -0.05 0.09 -0.04 2.79 2.74 1ye9M1 ASN 427 HD21 0.04 0.26 -0.37 -0.04 7.03 6.91 1ye9M1 ASN 427 HD22 0.04 0.22 -0.77 -0.04 7.74 7.18 1ye9M1 PHE 428 H 0.04 0.20 -0.19 -0.55 8.34 7.84 1ye9M1 PHE 428 HA -0.03 0.15 0.24 -0.75 4.62 4.23 1ye9M1 PHE 428 HB2 -0.03 0.06 0.05 -0.04 3.15 3.19 1ye9M1 PHE 428 HB3 -0.01 0.09 -0.03 -0.04 3.06 3.06 1ye9M1 PHE 428 HD2 0.00 0.08 -0.07 -0.04 7.28 7.25 1ye9M1 PHE 428 HE2 0.02 0.00 -0.07 -0.04 7.38 7.29 1ye9M1 PHE 428 HZ -0.02 -0.03 -0.05 -0.04 7.32 7.19 1ye9M1 HIS 429 H -0.27 -0.01 -0.41 -0.55 8.41 7.18 1ye9M1 HIS 429 HA -0.34 0.20 0.43 -0.75 4.63 4.16 1ye9M1 HIS 429 HB2 -0.47 0.11 0.02 -0.04 3.26 2.89 1ye9M1 HIS 429 HB3 -0.67 -0.03 0.00 -0.04 3.20 2.46 1ye9M1 HIS 429 HD2 -0.72 0.03 -0.11 -0.04 6.97 6.13 1ye9M1 HIS 429 HE1 -0.14 0.12 0.06 -0.04 7.75 7.75 1ye9M1 GLU 430 H -0.64 0.13 -0.43 -0.55 8.60 7.12 1ye9M1 GLU 430 HA -0.25 0.10 0.36 -0.75 4.29 3.75 1ye9M1 GLU 430 HB2 -0.16 0.19 0.04 -0.04 2.09 2.11 1ye9M1 GLU 430 HB3 -0.14 -0.10 0.12 -0.04 1.99 1.83 1ye9M1 GLU 430 HG2 -0.63 0.01 -0.04 -0.04 2.34 1.65 1ye9M1 GLU 430 HG3 -0.71 0.00 0.04 -0.04 2.34 1.63 1ye9M1 ILE 431 H -0.09 0.18 -0.60 -0.55 8.25 7.18 1ye9M1 ILE 431 HA -0.03 0.05 0.60 -0.75 4.18 4.04 1ye9M1 ILE 431 HB -0.03 0.06 0.01 -0.04 1.89 1.89 1ye9M1 ILE 431 HG12 -0.01 -0.04 0.02 -0.04 1.49 1.42 1ye9M1 ILE 431 HG13 0.00 -0.03 0.05 -0.04 1.21 1.19 1ye9M1 ILE 431 HG23 -0.05 -0.06 -0.02 -0.04 0.93 0.76 1ye9M1 ILE 431 HD13 0.02 0.02 0.05 -0.04 0.88 0.93 1ye9M1 PRO 432 HA -0.03 0.11 0.33 -0.51 4.44 4.35 1ye9M1 PRO 432 HB2 -0.02 -0.10 0.17 -0.04 2.28 2.28 1ye9M1 PRO 432 HB3 -0.01 0.02 0.08 -0.04 2.02 2.07 1ye9M1 PRO 432 HG2 0.00 -0.03 0.10 -0.04 2.03 2.06 1ye9M1 PRO 432 HG3 -0.00 0.06 0.11 -0.04 2.03 2.16 1ye9M1 PRO 432 HD2 -0.01 0.07 0.21 -0.04 3.68 3.90 1ye9M1 PRO 432 HD3 -0.01 0.21 0.27 -0.04 3.65 4.08 1ye9M1 ILE 433 H -0.05 0.10 -0.05 -0.55 8.25 7.71 1ye9M1 ILE 433 HA -0.05 0.01 0.21 -0.75 4.18 3.60 1ye9M1 ILE 433 HB -0.07 -0.09 0.16 -0.04 1.89 1.86 1ye9M1 ILE 433 HG12 -0.11 0.11 0.06 -0.04 1.49 1.51 1ye9M1 ILE 433 HG13 -0.09 0.03 0.11 -0.04 1.21 1.22 1ye9M1 ILE 433 HG23 -0.11 0.01 -0.15 -0.04 0.93 0.64 1ye9M1 ILE 433 HD13 -0.04 -0.06 0.04 -0.04 0.88 0.78 1ye9M1 ASN 434 H -0.07 0.17 -0.43 -0.55 8.53 7.66 1ye9M1 ASN 434 HA -0.10 0.23 1.20 -0.75 4.76 5.32 1ye9M1 ASN 434 HB2 -0.04 0.01 0.10 -0.04 2.88 2.90 1ye9M1 ASN 434 HB3 -0.06 -0.04 0.17 -0.04 2.79 2.82 1ye9M1 ASN 434 HD21 0.09 0.06 0.01 -0.04 7.03 7.15 1ye9M1 ASN 434 HD22 0.15 0.23 0.00 -0.04 7.74 8.08 1ye9M1 ARG 435 H -0.07 0.52 -0.11 -0.55 8.46 8.25 1ye9M1 ARG 435 HA -0.16 0.07 0.52 -0.75 4.34 4.02 1ye9M1 ARG 435 HB2 -0.06 0.09 -0.01 -0.04 1.90 1.88 1ye9M1 ARG 435 HB3 -0.01 -0.11 0.04 -0.04 1.80 1.68 1ye9M1 ARG 435 HG2 0.13 0.13 -0.05 -0.04 1.67 1.84 1ye9M1 ARG 435 HG3 -0.06 -0.04 -0.03 -0.04 1.67 1.50 1ye9M1 ARG 435 HD2 0.13 -0.05 -0.02 -0.04 3.22 3.23 1ye9M1 ARG 435 HD3 0.05 -0.07 -0.03 -0.04 3.22 3.13 1ye9M1 PRO 436 HA -0.03 -0.02 0.50 -0.51 4.44 4.38 1ye9M1 PRO 436 HB2 0.22 0.10 -0.07 -0.04 2.28 2.49 1ye9M1 PRO 436 HB3 0.01 -0.07 0.01 -0.04 2.02 1.94 1ye9M1 PRO 436 HG2 -0.54 -0.05 0.03 -0.04 2.03 1.42 1ye9M1 PRO 436 HG3 -0.23 0.04 0.08 -0.04 2.03 1.88 1ye9M1 PRO 436 HD2 -0.48 0.03 0.18 -0.04 3.68 3.37 1ye9M1 PRO 436 HD3 -0.28 0.30 0.30 -0.04 3.65 3.93 1ye9M1 THR 437 H 0.01 0.06 0.18 -0.55 8.28 7.98 1ye9M1 THR 437 HA 0.04 0.20 0.78 -0.75 4.39 4.64 1ye9M1 THR 437 HB 0.01 -0.04 0.10 -0.04 4.32 4.35 1ye9M1 THR 437 HG23 0.00 0.02 0.03 -0.04 1.22 1.23 1ye9M1 CYS 438 H 0.05 -0.04 -0.07 -0.55 8.50 7.89 1ye9M1 CYS 438 HA 0.03 0.12 0.68 -0.75 4.58 4.67 1ye9M1 CYS 438 HB2 0.05 0.10 0.16 -0.04 2.97 3.24 1ye9M1 CYS 438 HB3 0.04 -0.06 0.09 -0.04 2.97 3.00 1ye9M1 PRO 439 HA -0.05 0.14 0.69 -0.51 4.44 4.71 1ye9M1 PRO 439 HB2 0.19 0.02 -0.07 -0.04 2.28 2.37 1ye9M1 PRO 439 HB3 0.09 0.01 0.05 -0.04 2.02 2.13 1ye9M1 PRO 439 HG2 0.07 0.03 0.11 -0.04 2.03 2.20 1ye9M1 PRO 439 HG3 0.04 0.01 0.07 -0.04 2.03 2.11 1ye9M1 PRO 439 HD2 0.05 0.06 0.20 -0.04 3.68 3.95 1ye9M1 PRO 439 HD3 0.03 0.11 0.16 -0.04 3.65 3.91 1ye9M1 TYR 440 H -0.66 0.23 0.14 -0.55 8.29 7.46 1ye9M1 TYR 440 HA 0.00 0.20 0.83 -0.75 4.56 4.83 1ye9M1 TYR 440 HB2 -0.10 -0.04 -0.01 -0.04 3.06 2.88 1ye9M1 TYR 440 HB3 -0.07 0.05 -0.06 -0.04 2.98 2.86 1ye9M1 TYR 440 HD2 -0.08 0.01 -0.16 -0.04 7.15 6.88 1ye9M1 TYR 440 HE2 -0.05 0.08 -0.00 -0.04 6.85 6.83 1ye9M1 HIS 441 H 0.11 0.34 0.12 -0.55 8.41 8.43 1ye9M1 HIS 441 HA -0.05 0.10 0.74 -0.75 4.63 4.67 1ye9M1 HIS 441 HB2 -0.05 -0.01 -0.07 -0.04 3.26 3.10 1ye9M1 HIS 441 HB3 -0.11 0.01 -0.00 -0.04 3.20 3.05 1ye9M1 HIS 441 HD2 -0.11 -0.05 0.03 -0.04 6.97 6.80 1ye9M1 HIS 441 HE1 -0.14 -0.05 -0.06 -0.04 7.75 7.45 1ye9M1 ASN 442 H -0.06 0.42 0.26 -0.55 8.53 8.60 1ye9M1 ASN 442 HA -0.18 0.15 0.53 -0.75 4.76 4.50 1ye9M1 ASN 442 HB2 0.05 -0.11 0.08 -0.04 2.88 2.86 1ye9M1 ASN 442 HB3 0.02 0.15 -0.07 -0.04 2.79 2.84 1ye9M1 ASN 442 HD21 -0.02 0.06 -0.13 -0.04 7.03 6.90 1ye9M1 ASN 442 HD22 -0.01 0.05 -0.17 -0.04 7.74 7.57 1ye9M1 PHE 443 H 0.21 0.15 0.04 -0.55 8.34 8.18 1ye9M1 PHE 443 HA 0.05 0.22 0.57 -0.75 4.62 4.70 1ye9M1 PHE 443 HB2 0.04 -0.03 -0.08 -0.04 3.15 3.04 1ye9M1 PHE 443 HB3 0.06 0.16 -0.27 -0.04 3.06 2.97 1ye9M1 PHE 443 HD2 0.01 -0.09 -0.26 -0.04 7.28 6.89 1ye9M1 PHE 443 HE2 -0.06 -0.02 -0.15 -0.04 7.38 7.12 1ye9M1 PHE 443 HZ -0.07 0.13 -0.46 -0.04 7.32 6.89 1ye9M1 GLN 444 H 0.08 0.01 -0.33 -0.55 8.47 7.68 1ye9M1 GLN 444 HA 0.09 0.09 0.74 -0.75 4.36 4.52 1ye9M1 GLN 444 HB2 0.04 -0.01 0.02 -0.04 2.15 2.16 1ye9M1 GLN 444 HB3 0.05 0.09 -0.02 -0.04 2.02 2.10 1ye9M1 GLN 444 HG2 0.04 0.02 0.01 -0.04 2.40 2.43 1ye9M1 GLN 444 HG3 0.06 -0.12 -0.03 -0.04 2.39 2.25 1ye9M1 GLN 444 HE21 -0.08 0.03 -0.03 -0.04 6.97 6.85 1ye9M1 GLN 444 HE22 0.00 -0.05 -0.03 -0.04 7.69 7.57 1ye9M1 ARG 445 H 0.07 0.11 0.16 -0.55 8.46 8.24 1ye9M1 ARG 445 HA 0.06 0.27 0.99 -0.75 4.34 4.90 1ye9M1 ARG 445 HB2 0.06 -0.04 0.03 -0.04 1.90 1.91 1ye9M1 ARG 445 HB3 0.05 -0.07 0.11 -0.04 1.80 1.85 1ye9M1 ARG 445 HG2 0.10 0.03 -0.70 -0.04 1.67 1.06 1ye9M1 ARG 445 HG3 0.10 -0.03 -0.08 -0.04 1.67 1.61 1ye9M1 ARG 445 HD2 0.06 -0.08 0.02 -0.04 3.22 3.18 1ye9M1 ARG 445 HD3 0.06 0.18 0.03 -0.04 3.22 3.45 1ye9M1 ASP 446 H 0.04 0.10 0.13 -0.55 8.40 8.12 1ye9M1 ASP 446 HA 0.02 0.04 0.34 -0.75 4.63 4.28 1ye9M1 ASP 446 HB2 0.03 0.18 -0.34 -0.04 2.71 2.54 1ye9M1 ASP 446 HB3 0.03 -0.16 0.13 -0.04 2.70 2.66 1ye9M1 GLY 447 H 0.03 -0.03 0.10 -0.55 8.43 7.99 1ye9M1 GLY 447 HA2 0.04 -0.06 0.40 -0.51 4.01 3.88 1ye9M1 GLY 447 HA3 0.05 0.23 0.68 -0.51 4.01 4.47 1ye9M1 MET 448 H 0.05 0.08 0.15 -0.55 8.47 8.20 1ye9M1 MET 448 HA 0.05 -0.05 0.26 -0.75 4.52 4.03 1ye9M1 MET 448 HB2 0.05 -0.06 0.17 -0.04 2.15 2.27 1ye9M1 MET 448 HB3 0.07 0.12 0.19 -0.04 2.03 2.37 1ye9M1 MET 448 HG2 0.07 0.18 0.05 -0.04 2.63 2.89 1ye9M1 MET 448 HG3 0.13 -0.03 0.03 -0.04 2.56 2.64 1ye9M1 MET 448 HE3 0.03 0.00 0.04 -0.04 2.10 2.14 1ye9M1 HIS 449 H 0.07 0.04 0.16 -0.55 8.41 8.15 1ye9M1 HIS 449 HA 0.01 -0.01 0.31 -0.75 4.63 4.18 1ye9M1 HIS 449 HB2 0.02 -0.04 -0.16 -0.04 3.26 3.04 1ye9M1 HIS 449 HB3 0.01 0.11 0.02 -0.04 3.20 3.29 1ye9M1 HIS 449 HD2 -0.00 0.02 -0.03 -0.04 6.97 6.91 1ye9M1 HIS 449 HE1 0.01 -0.04 -0.01 -0.04 7.75 7.66 1ye9M1 ARG 450 H -0.04 0.02 -0.11 -0.55 8.46 7.79 1ye9M1 ARG 450 HA -0.02 0.08 0.35 -0.75 4.34 3.99 1ye9M1 ARG 450 HB2 0.00 0.18 -0.14 -0.04 1.90 1.90 1ye9M1 ARG 450 HB3 -0.02 -0.10 0.02 -0.04 1.80 1.66 1ye9M1 ARG 450 HG2 0.01 -0.16 -0.01 -0.04 1.67 1.47 1ye9M1 ARG 450 HG3 -0.01 0.15 -0.28 -0.04 1.67 1.48 1ye9M1 ARG 450 HD2 -0.02 -0.26 0.08 -0.04 3.22 2.98 1ye9M1 ARG 450 HD3 0.02 0.18 -0.07 -0.04 3.22 3.31 1ye9M1 MET 451 H -0.05 0.02 0.18 -0.55 8.47 8.07 1ye9M1 MET 451 HA -0.07 0.15 0.70 -0.75 4.52 4.54 1ye9M1 MET 451 HB2 -0.05 -0.06 0.15 -0.04 2.15 2.15 1ye9M1 MET 451 HB3 -0.03 -0.02 0.01 -0.04 2.03 1.95 1ye9M1 MET 451 HG2 -0.06 0.09 -0.44 -0.04 2.63 2.18 1ye9M1 MET 451 HG3 0.01 0.06 -0.02 -0.04 2.56 2.57 1ye9M1 MET 451 HE3 -0.01 -0.01 -0.02 -0.04 2.10 2.02 1ye9M1 GLY 452 H -0.03 0.05 0.14 -0.55 8.43 8.04 1ye9M1 GLY 452 HA2 -0.02 0.02 0.46 -0.51 4.01 3.96 1ye9M1 GLY 452 HA3 -0.01 0.04 0.31 -0.51 4.01 3.85 1ye9M1 ILE 453 H -0.02 0.12 0.16 -0.55 8.25 7.96 1ye9M1 ILE 453 HA -0.01 0.15 0.84 -0.75 4.18 4.41 1ye9M1 ILE 453 HB -0.01 -0.06 0.21 -0.04 1.89 1.99 1ye9M1 ILE 453 HG12 -0.02 0.08 -0.12 -0.04 1.49 1.39 1ye9M1 ILE 453 HG13 -0.02 0.09 0.07 -0.04 1.21 1.31 1ye9M1 ILE 453 HG23 -0.00 0.00 -0.05 -0.04 0.93 0.83 1ye9M1 ILE 453 HD13 -0.02 -0.03 0.01 -0.04 0.88 0.81 1ye9M1 ASP 454 H 0.01 0.19 -0.01 -0.55 8.40 8.05 1ye9M1 ASP 454 HA 0.01 -0.03 0.19 -0.75 4.63 4.04 1ye9M1 ASP 454 HB2 0.03 -0.00 0.09 -0.04 2.71 2.79 1ye9M1 ASP 454 HB3 0.03 -0.01 0.03 -0.04 2.70 2.71 1ye9M1 THR 455 H 0.01 0.04 0.20 -0.55 8.28 7.99 1ye9M1 THR 455 HA 0.02 0.27 0.92 -0.75 4.39 4.84 1ye9M1 THR 455 HB 0.01 -0.03 0.13 -0.04 4.32 4.39 1ye9M1 THR 455 HG23 -0.00 0.02 -0.04 -0.04 1.22 1.16 1ye9M1 ASN 456 H 0.03 -0.02 0.06 -0.55 8.53 8.05 1ye9M1 ASN 456 HA 0.04 0.06 0.32 -0.75 4.76 4.42 1ye9M1 ASN 456 HB2 0.01 -0.06 0.14 -0.04 2.88 2.94 1ye9M1 ASN 456 HB3 0.05 0.15 0.16 -0.04 2.79 3.11 1ye9M1 ASN 456 HD21 0.13 0.26 0.08 -0.04 7.03 7.46 1ye9M1 ASN 456 HD22 -0.03 -0.05 0.00 -0.04 7.74 7.62 1ye9M1 PRO 457 HA 0.07 0.08 0.45 -0.51 4.44 4.53 1ye9M1 PRO 457 HB2 0.08 -0.08 -0.17 -0.04 2.28 2.07 1ye9M1 PRO 457 HB3 0.06 -0.01 0.09 -0.04 2.02 2.12 1ye9M1 PRO 457 HG2 0.05 0.04 0.11 -0.04 2.03 2.18 1ye9M1 PRO 457 HG3 0.04 0.03 0.12 -0.04 2.03 2.18 1ye9M1 PRO 457 HD2 0.05 0.03 0.24 -0.04 3.68 3.96 1ye9M1 PRO 457 HD3 0.03 0.25 0.20 -0.04 3.65 4.10 1ye9M1 ALA 458 H 0.11 0.09 -0.42 -0.55 8.40 7.64 1ye9M1 ALA 458 HA 0.28 0.11 0.72 -0.75 4.34 4.69 1ye9M1 ALA 458 HB3 -0.19 -0.03 -0.05 -0.04 1.41 1.10 1ye9M1 ASN 459 H 0.52 0.08 0.08 -0.55 8.53 8.67 1ye9M1 ASN 459 HA 0.39 0.23 0.63 -0.75 4.76 5.26 1ye9M1 ASN 459 HB2 0.19 0.08 0.15 -0.04 2.88 3.25 1ye9M1 ASN 459 HB3 0.17 0.07 -0.08 -0.04 2.79 2.91 1ye9M1 ASN 459 HD21 0.07 -0.05 -0.03 -0.04 7.03 6.97 1ye9M1 ASN 459 HD22 0.09 0.01 -0.01 -0.04 7.74 7.79 1ye9M1 TYR 460 H -0.06 0.03 0.01 -0.55 8.29 7.72 1ye9M1 TYR 460 HA -0.30 0.26 0.73 -0.75 4.56 4.50 1ye9M1 TYR 460 HB2 -0.15 -0.01 0.07 -0.04 3.06 2.93 1ye9M1 TYR 460 HB3 -0.07 0.07 -0.14 -0.04 2.98 2.79 1ye9M1 TYR 460 HD2 -0.05 -0.13 -0.05 -0.04 7.15 6.88 1ye9M1 TYR 460 HE2 -0.01 0.05 0.05 -0.04 6.85 6.90 1ye9M1 GLU 461 H -0.20 0.30 -0.01 -0.55 8.60 8.15 1ye9M1 GLU 461 HA -0.45 -0.26 -0.05 -0.75 4.29 2.77 1ye9M1 GLU 461 HB2 -0.37 -0.01 0.11 -0.04 2.09 1.78 1ye9M1 GLU 461 HB3 -1.78 0.26 -0.26 -0.04 1.99 0.17 1ye9M1 GLU 461 HG2 -0.04 0.09 -0.10 -0.04 2.34 2.25 1ye9M1 GLU 461 HG3 -0.38 -0.06 -0.12 -0.04 2.34 1.74 1ye9M1 PRO 462 HA -0.18 0.13 0.36 -0.51 4.44 4.24 1ye9M1 PRO 462 HB2 -0.06 -0.01 -0.09 -0.04 2.28 2.09 1ye9M1 PRO 462 HB3 -0.08 0.08 0.07 -0.04 2.02 2.05 1ye9M1 PRO 462 HG2 -0.02 0.01 0.08 -0.04 2.03 2.05 1ye9M1 PRO 462 HG3 -0.04 0.06 0.10 -0.04 2.03 2.10 1ye9M1 PRO 462 HD2 -0.01 0.04 0.09 -0.04 3.68 3.75 1ye9M1 PRO 462 HD3 -0.05 0.17 0.51 -0.04 3.65 4.24 1ye9M1 ASN 463 H -0.23 0.32 0.14 -0.55 8.53 8.22 1ye9M1 ASN 463 HA -0.17 0.17 0.73 -0.75 4.76 4.73 1ye9M1 ASN 463 HB2 -0.88 -0.08 -0.04 -0.04 2.88 1.85 1ye9M1 ASN 463 HB3 -1.18 0.16 -0.39 -0.04 2.79 1.33 1ye9M1 ASN 463 HD21 0.10 0.18 -0.26 -0.04 7.03 7.01 1ye9M1 ASN 463 HD22 -0.36 0.13 0.03 -0.04 7.74 7.51 1ye9M1 SER 464 H 0.02 0.19 0.11 -0.55 8.46 8.24 1ye9M1 SER 464 HA -0.00 0.20 0.78 -0.75 4.49 4.71 1ye9M1 SER 464 HB2 0.02 0.06 0.08 -0.04 3.95 4.07 1ye9M1 SER 464 HB3 0.02 0.03 0.05 -0.04 3.93 3.99 1ye9M1 ILE 465 H 0.04 0.07 0.02 -0.55 8.25 7.83 1ye9M1 ILE 465 HA 0.05 0.11 0.22 -0.75 4.18 3.81 1ye9M1 ILE 465 HB 0.08 0.09 0.07 -0.04 1.89 2.09 1ye9M1 ILE 465 HG12 0.10 -0.10 -0.08 -0.04 1.49 1.38 1ye9M1 ILE 465 HG13 0.05 0.04 -0.44 -0.04 1.21 0.82 1ye9M1 ILE 465 HG23 0.11 -0.01 0.05 -0.04 0.93 1.05 1ye9M1 ILE 465 HD13 0.16 0.03 -0.29 -0.04 0.88 0.75 1ye9M1 ASN 466 H 0.02 -0.05 -0.66 -0.55 8.53 7.30 1ye9M1 ASN 466 HA 0.08 0.21 0.45 -0.75 4.76 4.74 1ye9M1 ASN 466 HB2 0.07 0.00 0.01 -0.04 2.88 2.93 1ye9M1 ASN 466 HB3 0.10 0.05 0.05 -0.04 2.79 2.95 1ye9M1 ASN 466 HD21 0.03 -0.00 0.04 -0.04 7.03 7.06 1ye9M1 ASN 466 HD22 0.05 0.04 0.12 -0.04 7.74 7.91 1ye9M1 ASP 467 H 0.07 0.70 -0.04 -0.55 8.40 8.58 1ye9M1 ASP 467 HA 0.09 0.04 0.38 -0.75 4.63 4.39 1ye9M1 ASP 467 HB2 0.32 0.01 -0.75 -0.04 2.71 2.25 1ye9M1 ASP 467 HB3 0.61 0.02 0.13 -0.04 2.70 3.42 1ye9M1 ASN 468 H 0.01 -0.06 -0.42 -0.55 8.53 7.52 1ye9M1 ASN 468 HA -0.08 -0.13 0.33 -0.75 4.76 4.12 1ye9M1 ASN 468 HB2 -0.12 -0.08 -0.27 -0.04 2.88 2.37 1ye9M1 ASN 468 HB3 -0.29 0.17 0.12 -0.04 2.79 2.74 1ye9M1 ASN 468 HD21 -0.14 -0.05 0.09 -0.04 7.03 6.88 1ye9M1 ASN 468 HD22 -0.26 0.06 0.09 -0.04 7.74 7.59 1ye9M1 TRP 469 H 0.27 0.58 -0.33 -0.55 7.97 7.95 1ye9M1 TRP 469 HA 0.03 -0.01 0.41 -0.75 4.62 4.30 1ye9M1 TRP 469 HB2 -0.02 0.04 0.06 -0.04 3.23 3.26 1ye9M1 TRP 469 HB3 -0.06 -0.05 0.06 -0.04 3.23 3.15 1ye9M1 TRP 469 HD1 -0.01 0.05 -0.04 -0.04 7.22 7.18 1ye9M1 TRP 469 HE1 -0.01 -0.06 0.02 -0.04 10.20 10.11 1ye9M1 TRP 469 HE3 -0.05 -0.05 0.10 -0.04 7.59 7.55 1ye9M1 TRP 469 HZ2 -0.01 -0.03 0.01 -0.04 7.44 7.36 1ye9M1 TRP 469 HZ3 -0.03 0.05 0.04 -0.04 7.13 7.14 1ye9M1 TRP 469 HH2 -0.02 -0.00 0.02 -0.04 7.19 7.15 1ye9M1 PRO 470 HA 0.37 -0.01 0.38 -0.51 4.44 4.67 1ye9M1 PRO 470 HB2 -0.03 0.10 -0.18 -0.04 2.28 2.13 1ye9M1 PRO 470 HB3 0.04 0.03 0.00 -0.04 2.02 2.05 1ye9M1 PRO 470 HG2 -0.35 -0.04 -0.24 -0.04 2.03 1.36 1ye9M1 PRO 470 HG3 -0.10 -0.01 -0.05 -0.04 2.03 1.83 1ye9M1 PRO 470 HD2 -1.11 0.06 0.14 -0.04 3.68 2.73 1ye9M1 PRO 470 HD3 -0.23 0.08 0.10 -0.04 3.65 3.56 1ye9M1 ARG 471 H -0.06 0.06 0.17 -0.55 8.46 8.08 1ye9M1 ARG 471 HA -0.23 0.19 0.80 -0.75 4.34 4.35 1ye9M1 ARG 471 HB2 -0.54 0.06 0.08 -0.04 1.90 1.46 1ye9M1 ARG 471 HB3 -0.46 -0.04 0.14 -0.04 1.80 1.40 1ye9M1 ARG 471 HG2 -1.91 -0.05 -0.13 -0.04 1.67 -0.46 1ye9M1 ARG 471 HG3 -3.12 -0.05 0.03 -0.04 1.67 -1.51 1ye9M1 ARG 471 HD2 -0.57 -0.05 0.04 -0.04 3.22 2.59 1ye9M1 ARG 471 HD3 -0.87 0.11 -0.05 -0.04 3.22 2.37 1ye9M1 GLU 472 H -0.08 0.00 0.15 -0.55 8.60 8.12 1ye9M1 GLU 472 HA 0.01 0.09 0.56 -0.75 4.29 4.20 1ye9M1 GLU 472 HB2 -0.01 0.00 -0.03 -0.04 2.09 2.01 1ye9M1 GLU 472 HB3 0.01 0.02 0.12 -0.04 1.99 2.09 1ye9M1 GLU 472 HG2 -0.06 0.00 0.20 -0.04 2.34 2.44 1ye9M1 GLU 472 HG3 -0.07 -0.00 0.02 -0.04 2.34 2.24 1ye9M1 THR 473 H 0.02 0.16 0.13 -0.55 8.28 8.04 1ye9M1 THR 473 HA -0.01 0.15 0.66 -0.75 4.39 4.45 1ye9M1 THR 473 HB 0.04 -0.07 0.06 -0.04 4.32 4.30 1ye9M1 THR 473 HG23 0.03 0.06 -0.03 -0.04 1.22 1.24 1ye9M1 PRO 474 HA 0.01 0.06 0.23 -0.51 4.44 4.22 1ye9M1 PRO 474 HB2 -0.00 0.11 -0.02 -0.04 2.28 2.33 1ye9M1 PRO 474 HB3 -0.00 -0.01 0.09 -0.04 2.02 2.06 1ye9M1 PRO 474 HG2 -0.00 0.03 0.04 -0.04 2.03 2.06 1ye9M1 PRO 474 HG3 -0.01 0.01 0.03 -0.04 2.03 2.02 1ye9M1 PRO 474 HD2 0.01 0.13 0.11 -0.04 3.68 3.89 1ye9M1 PRO 474 HD3 -0.01 0.15 0.18 -0.04 3.65 3.93 1ye9M1 PRO 475 HA -0.01 0.15 0.49 -0.51 4.44 4.57 1ye9M1 PRO 475 HB2 -0.03 0.01 -0.04 -0.04 2.28 2.18 1ye9M1 PRO 475 HB3 -0.04 0.04 -0.01 -0.04 2.02 1.97 1ye9M1 PRO 475 HG2 -0.01 0.01 0.07 -0.04 2.03 2.06 1ye9M1 PRO 475 HG3 -0.01 0.02 0.02 -0.04 2.03 2.02 1ye9M1 PRO 475 HD2 -0.00 0.08 0.18 -0.04 3.68 3.90 1ye9M1 PRO 475 HD3 0.00 0.11 0.15 -0.04 3.65 3.87 1ye9M1 GLY 476 H -0.01 0.26 0.22 -0.55 8.43 8.36 1ye9M1 GLY 476 HA2 -0.00 0.12 0.64 -0.51 4.01 4.25 1ye9M1 GLY 476 HA3 0.00 0.09 0.18 -0.51 4.01 3.77 1ye9M1 PRO 477 HA -0.00 0.05 0.29 -0.51 4.44 4.27 1ye9M1 PRO 477 HB2 0.00 0.04 -0.01 -0.04 2.28 2.27 1ye9M1 PRO 477 HB3 0.00 0.00 0.11 -0.04 2.02 2.09 1ye9M1 PRO 477 HG2 0.01 0.06 0.08 -0.04 2.03 2.14 1ye9M1 PRO 477 HG3 0.00 0.03 0.08 -0.04 2.03 2.10 1ye9M1 PRO 477 HD2 0.00 0.15 0.20 -0.04 3.68 4.00 1ye9M1 PRO 477 HD3 -0.00 0.12 0.18 -0.04 3.65 3.91 1ye9M1 LYS 478 H 0.01 0.22 -0.28 -0.55 8.42 7.81 1ye9M1 LYS 478 HA 0.01 0.12 0.67 -0.75 4.32 4.37 1ye9M1 LYS 478 HB2 0.01 0.04 -0.28 -0.04 1.87 1.59 1ye9M1 LYS 478 HB3 0.01 -0.02 -0.03 -0.04 1.79 1.71 1ye9M1 LYS 478 HG2 0.01 0.00 -0.02 -0.04 1.46 1.41 1ye9M1 LYS 478 HG3 0.01 0.04 0.11 -0.04 1.46 1.58 1ye9M1 LYS 478 HD2 0.01 0.01 0.01 -0.04 1.69 1.67 1ye9M1 LYS 478 HD3 0.01 -0.03 -0.03 -0.04 1.68 1.59 1ye9M1 LYS 478 HE2 0.01 -0.03 -0.03 -0.04 2.99 2.90 1ye9M1 LYS 478 HE3 0.01 0.01 -0.06 -0.04 2.99 2.92 1ye9M1 ARG 479 H 0.02 0.17 0.13 -0.55 8.46 8.23 1ye9M1 ARG 479 HA 0.03 0.05 0.33 -0.75 4.34 4.00 1ye9M1 ARG 479 HB2 0.02 0.08 -0.40 -0.04 1.90 1.56 1ye9M1 ARG 479 HB3 0.03 0.02 0.26 -0.04 1.80 2.07 1ye9M1 ARG 479 HG2 0.02 -0.03 -0.03 -0.04 1.67 1.60 1ye9M1 ARG 479 HG3 0.03 0.03 0.06 -0.04 1.67 1.74 1ye9M1 ARG 479 HD2 0.03 0.05 0.09 -0.04 3.22 3.34 1ye9M1 ARG 479 HD3 0.02 -0.07 -0.01 -0.04 3.22 3.11 1ye9M1 GLY 480 H 0.02 0.01 -0.21 -0.55 8.43 7.70 1ye9M1 GLY 480 HA2 0.02 0.21 0.51 -0.51 4.01 4.24 1ye9M1 GLY 480 HA3 0.01 -0.14 0.32 -0.51 4.01 3.69 1ye9M1 GLY 481 H 0.03 0.45 -0.16 -0.55 8.43 8.20 1ye9M1 GLY 481 HA2 0.08 0.04 0.61 -0.51 4.01 4.23 1ye9M1 GLY 481 HA3 0.05 0.26 0.35 -0.51 4.01 4.16 1ye9M1 PHE 482 H 0.19 0.15 0.15 -0.55 8.34 8.28 1ye9M1 PHE 482 HA 0.01 0.13 0.87 -0.75 4.62 4.87 1ye9M1 PHE 482 HB2 0.01 0.05 0.03 -0.04 3.15 3.20 1ye9M1 PHE 482 HB3 0.02 -0.02 0.11 -0.04 3.06 3.14 1ye9M1 PHE 482 HD2 0.01 -0.05 -0.42 -0.04 7.28 6.77 1ye9M1 PHE 482 HE2 -0.04 0.02 -0.25 -0.04 7.38 7.07 1ye9M1 PHE 482 HZ -0.16 -0.09 -0.02 -0.04 7.32 7.01 1ye9M1 GLU 483 H -0.43 0.25 0.16 -0.55 8.60 8.03 1ye9M1 GLU 483 HA 0.07 0.10 0.64 -0.75 4.29 4.34 1ye9M1 GLU 483 HB2 -0.00 0.03 0.04 -0.04 2.09 2.12 1ye9M1 GLU 483 HB3 -0.08 -0.01 -0.03 -0.04 1.99 1.83 1ye9M1 GLU 483 HG2 -0.07 -0.05 -0.16 -0.04 2.34 2.01 1ye9M1 GLU 483 HG3 -0.03 0.17 -0.14 -0.04 2.34 2.29 1ye9M1 SER 484 H 0.08 0.13 0.09 -0.55 8.46 8.22 1ye9M1 SER 484 HA 0.01 0.13 0.70 -0.75 4.49 4.58 1ye9M1 SER 484 HB2 0.11 -0.01 0.03 -0.04 3.95 4.04 1ye9M1 SER 484 HB3 0.16 0.05 0.02 -0.04 3.93 4.12 1ye9M1 TYR 485 H 0.11 0.14 0.16 -0.55 8.29 8.16 1ye9M1 TYR 485 HA -0.05 0.04 0.48 -0.75 4.56 4.28 1ye9M1 TYR 485 HB2 -0.06 0.07 0.12 -0.04 3.06 3.16 1ye9M1 TYR 485 HB3 -0.01 -0.01 0.17 -0.04 2.98 3.09 1ye9M1 TYR 485 HD2 -0.02 0.01 -0.03 -0.04 7.15 7.07 1ye9M1 TYR 485 HE2 -0.00 -0.01 -0.05 -0.04 6.85 6.75 1ye9M1 GLN 486 H -0.35 0.12 0.14 -0.55 8.47 7.84 1ye9M1 GLN 486 HA -0.13 0.13 0.19 -0.75 4.36 3.79 1ye9M1 GLN 486 HB2 -0.25 -0.04 0.17 -0.04 2.15 1.99 1ye9M1 GLN 486 HB3 -0.12 0.02 0.12 -0.04 2.02 2.00 1ye9M1 GLN 486 HG2 -0.10 0.14 0.12 -0.04 2.40 2.51 1ye9M1 GLN 486 HG3 -0.14 -0.03 0.09 -0.04 2.39 2.26 1ye9M1 GLN 486 HE21 -0.03 -0.02 0.01 -0.04 6.97 6.90 1ye9M1 GLN 486 HE22 -0.04 0.03 0.02 -0.04 7.69 7.65 1ye9M1 GLU 487 H -0.16 0.69 0.00 -0.55 8.60 8.58 1ye9M1 GLU 487 HA -0.12 -0.06 0.36 -0.75 4.29 3.71 1ye9M1 GLU 487 HB2 0.24 0.01 0.08 -0.04 2.09 2.38 1ye9M1 GLU 487 HB3 0.08 0.00 0.07 -0.04 1.99 2.10 1ye9M1 GLU 487 HG2 0.07 0.18 -0.23 -0.04 2.34 2.32 1ye9M1 GLU 487 HG3 0.15 -0.05 0.04 -0.04 2.34 2.44 1ye9M1 ARG 488 H 0.00 0.05 0.17 -0.55 8.46 8.14 1ye9M1 ARG 488 HA -0.01 0.13 0.70 -0.75 4.34 4.41 1ye9M1 ARG 488 HB2 -0.01 0.03 0.11 -0.04 1.90 1.99 1ye9M1 ARG 488 HB3 0.02 -0.05 0.14 -0.04 1.80 1.87 1ye9M1 ARG 488 HG2 0.02 -0.05 -0.19 -0.04 1.67 1.40 1ye9M1 ARG 488 HG3 0.01 0.07 -0.09 -0.04 1.67 1.62 1ye9M1 ARG 488 HD2 -0.00 -0.01 0.01 -0.04 3.22 3.18 1ye9M1 ARG 488 HD3 0.01 -0.03 -0.04 -0.04 3.22 3.12 1ye9M1 VAL 489 H 0.01 0.21 0.17 -0.55 8.24 8.08 1ye9M1 VAL 489 HA 0.03 0.13 0.86 -0.75 4.13 4.40 1ye9M1 VAL 489 HB 0.02 0.00 0.11 -0.04 2.12 2.21 1ye9M1 VAL 489 HG13 0.02 -0.01 -0.20 -0.04 0.97 0.74 1ye9M1 VAL 489 HG23 0.04 0.02 -0.14 -0.04 0.95 0.82 1ye9M1 GLU 490 H 0.03 0.30 0.14 -0.55 8.60 8.51 1ye9M1 GLU 490 HA 0.01 0.15 0.77 -0.75 4.29 4.46 1ye9M1 GLU 490 HB2 0.02 -0.02 -0.02 -0.04 2.09 2.03 1ye9M1 GLU 490 HB3 0.01 -0.01 -0.07 -0.04 1.99 1.87 1ye9M1 GLU 490 HG2 0.01 -0.02 0.04 -0.04 2.34 2.33 1ye9M1 GLU 490 HG3 0.01 0.13 -0.11 -0.04 2.34 2.33 1ye9M1 GLY 491 H 0.00 0.22 0.12 -0.55 8.43 8.23 1ye9M1 GLY 491 HA2 0.00 -0.02 0.31 -0.51 4.01 3.79 1ye9M1 GLY 491 HA3 0.00 0.19 0.68 -0.51 4.01 4.37 1ye9M1 ASN 492 H -0.00 0.10 0.11 -0.55 8.53 8.20 1ye9M1 ASN 492 HA -0.00 0.10 0.59 -0.75 4.76 4.70 1ye9M1 ASN 492 HB2 -0.01 -0.01 0.01 -0.04 2.88 2.83 1ye9M1 ASN 492 HB3 -0.01 0.07 -0.03 -0.04 2.79 2.79 1ye9M1 ASN 492 HD21 -0.00 0.01 -0.01 -0.04 7.03 6.99 1ye9M1 ASN 492 HD22 -0.01 0.03 -0.01 -0.04 7.74 7.70 1ye9M1 LYS 493 H -0.01 0.11 0.12 -0.55 8.42 8.09 1ye9M1 LYS 493 HA -0.01 0.11 0.55 -0.75 4.32 4.21 1ye9M1 LYS 493 HB2 -0.01 -0.04 0.20 -0.04 1.87 1.98 1ye9M1 LYS 493 HB3 -0.01 0.02 0.04 -0.04 1.79 1.80 1ye9M1 LYS 493 HG2 -0.01 0.04 0.01 -0.04 1.46 1.46 1ye9M1 LYS 493 HG3 -0.00 0.01 0.01 -0.04 1.46 1.44 1ye9M1 LYS 493 HD2 -0.01 -0.02 0.03 -0.04 1.69 1.65 1ye9M1 LYS 493 HD3 -0.01 0.01 -0.01 -0.04 1.68 1.63 1ye9M1 LYS 493 HE2 -0.00 0.02 -0.01 -0.04 2.99 2.96 1ye9M1 LYS 493 HE3 -0.00 -0.01 0.01 -0.04 2.99 2.95 1ye9M1 VAL 494 H -0.02 0.29 0.22 -0.55 8.24 8.19 1ye9M1 VAL 494 HA -0.02 0.16 0.93 -0.75 4.13 4.46 1ye9M1 VAL 494 HB -0.02 0.01 -0.21 -0.04 2.12 1.87 1ye9M1 VAL 494 HG13 -0.01 -0.03 -0.45 -0.04 0.97 0.43 1ye9M1 VAL 494 HG23 -0.02 0.05 -0.10 -0.04 0.95 0.83 1ye9M1 ARG 495 H -0.02 0.21 0.08 -0.55 8.46 8.17 1ye9M1 ARG 495 HA -0.03 0.14 0.79 -0.75 4.34 4.48 1ye9M1 ARG 495 HB2 -0.02 -0.01 0.20 -0.04 1.90 2.02 1ye9M1 ARG 495 HB3 -0.02 0.01 0.06 -0.04 1.80 1.81 1ye9M1 ARG 495 HG2 -0.03 0.03 0.02 -0.04 1.67 1.65 1ye9M1 ARG 495 HG3 -0.03 -0.01 -0.09 -0.04 1.67 1.50 1ye9M1 ARG 495 HD2 -0.02 -0.01 0.01 -0.04 3.22 3.15 1ye9M1 ARG 495 HD3 -0.02 0.00 0.00 -0.04 3.22 3.16 1ye9M1 GLU 496 H -0.04 0.34 0.01 -0.55 8.60 8.35 1ye9M1 GLU 496 HA -0.03 0.09 0.66 -0.75 4.29 4.25 1ye9M1 GLU 496 HB2 -0.03 -0.00 -0.38 -0.04 2.09 1.64 1ye9M1 GLU 496 HB3 -0.04 -0.01 -0.15 -0.04 1.99 1.75 1ye9M1 GLU 496 HG2 -0.04 0.26 -0.18 -0.04 2.34 2.34 1ye9M1 GLU 496 HG3 -0.02 -0.02 0.05 -0.04 2.34 2.31 1ye9M1 ARG 497 H -0.03 0.14 0.09 -0.55 8.46 8.10 1ye9M1 ARG 497 HA -0.14 0.09 0.73 -0.75 4.34 4.27 1ye9M1 ARG 497 HB2 -0.01 -0.01 0.08 -0.04 1.90 1.92 1ye9M1 ARG 497 HB3 -0.00 0.00 -0.01 -0.04 1.80 1.75 1ye9M1 ARG 497 HG2 0.09 0.03 -0.06 -0.04 1.67 1.68 1ye9M1 ARG 497 HG3 -0.05 0.05 -0.04 -0.04 1.67 1.60 1ye9M1 ARG 497 HD2 0.10 0.01 0.01 -0.04 3.22 3.30 1ye9M1 ARG 497 HD3 -0.12 -0.01 0.08 -0.04 3.22 3.13 1ye9M1 SER 498 H -0.44 0.12 0.14 -0.55 8.46 7.73 1ye9M1 SER 498 HA -0.10 0.18 0.54 -0.75 4.49 4.36 1ye9M1 SER 498 HB2 -0.23 0.10 0.11 -0.04 3.95 3.89 1ye9M1 SER 498 HB3 -0.72 -0.02 0.13 -0.04 3.93 3.27 1ye9M1 PRO 499 HA 0.04 0.11 0.37 -0.51 4.44 4.44 1ye9M1 PRO 499 HB2 0.03 0.05 0.01 -0.04 2.28 2.33 1ye9M1 PRO 499 HB3 0.02 0.07 0.13 -0.04 2.02 2.19 1ye9M1 PRO 499 HG2 0.03 -0.00 0.11 -0.04 2.03 2.13 1ye9M1 PRO 499 HG3 0.01 0.08 0.10 -0.04 2.03 2.18 1ye9M1 PRO 499 HD2 -0.01 0.06 0.25 -0.04 3.68 3.95 1ye9M1 PRO 499 HD3 -0.01 0.26 0.24 -0.04 3.65 4.09 1ye9M1 SER 500 H 0.12 0.12 -0.26 -0.55 8.46 7.89 1ye9M1 SER 500 HA 0.12 0.12 0.36 -0.75 4.49 4.34 1ye9M1 SER 500 HB2 0.19 0.03 0.10 -0.04 3.95 4.23 1ye9M1 SER 500 HB3 0.17 0.03 0.07 -0.04 3.93 4.16 1ye9M1 PHE 501 H 0.34 0.52 -0.69 -0.55 8.34 7.95 1ye9M1 PHE 501 HA 0.02 0.10 0.76 -0.75 4.62 4.75 1ye9M1 PHE 501 HB2 0.04 0.28 0.07 -0.04 3.15 3.49 1ye9M1 PHE 501 HB3 0.06 -0.03 0.10 -0.04 3.06 3.15 1ye9M1 PHE 501 HD2 0.04 -0.08 -0.17 -0.04 7.28 7.03 1ye9M1 PHE 501 HE2 0.03 -0.02 -0.03 -0.04 7.38 7.32 1ye9M1 PHE 501 HZ 0.02 0.04 -0.31 -0.04 7.32 7.03 1ye9M1 GLY 502 H 0.07 0.63 -0.09 -0.55 8.43 8.49 1ye9M1 GLY 502 HA2 -0.06 0.03 0.16 -0.51 4.01 3.63 1ye9M1 GLY 502 HA3 -0.08 0.04 0.35 -0.51 4.01 3.81 1ye9M1 GLU 503 H -0.17 0.18 -0.44 -0.55 8.60 7.62 1ye9M1 GLU 503 HA -0.42 0.14 0.93 -0.75 4.29 4.18 1ye9M1 GLU 503 HB2 -0.07 0.04 0.03 -0.04 2.09 2.04 1ye9M1 GLU 503 HB3 -0.06 0.01 0.13 -0.04 1.99 2.03 1ye9M1 GLU 503 HG2 -0.04 0.04 0.07 -0.04 2.34 2.37 1ye9M1 GLU 503 HG3 0.02 0.07 0.03 -0.04 2.34 2.42 1ye9M1 TYR 504 H -0.56 0.17 0.20 -0.55 8.29 7.56 1ye9M1 TYR 504 HA -0.20 0.26 0.71 -0.75 4.56 4.58 1ye9M1 TYR 504 HB2 -0.99 0.02 0.03 -0.04 3.06 2.07 1ye9M1 TYR 504 HB3 -0.34 0.02 0.12 -0.04 2.98 2.74 1ye9M1 TYR 504 HD2 -0.22 0.02 -0.12 -0.04 7.15 6.79 1ye9M1 TYR 504 HE2 -0.03 0.03 -0.03 -0.04 6.85 6.78 1ye9M1 TYR 505 H 0.04 0.00 0.03 -0.55 8.29 7.81 1ye9M1 TYR 505 HA 0.10 0.30 0.89 -0.75 4.56 5.09 1ye9M1 TYR 505 HB2 0.06 -0.06 0.12 -0.04 3.06 3.14 1ye9M1 TYR 505 HB3 0.08 0.24 0.06 -0.04 2.98 3.31 1ye9M1 TYR 505 HD2 0.05 0.00 -0.05 -0.04 7.15 7.12 1ye9M1 TYR 505 HE2 0.01 0.02 -0.00 -0.04 6.85 6.84 1ye9M1 SER 506 H 0.17 0.06 0.10 -0.55 8.46 8.24 1ye9M1 SER 506 HA 0.15 0.13 0.40 -0.75 4.49 4.43 1ye9M1 SER 506 HB2 0.13 0.03 0.12 -0.04 3.95 4.19 1ye9M1 SER 506 HB3 0.14 0.01 0.12 -0.04 3.93 4.16 1ye9M1 HIS 507 H 0.24 0.10 -0.21 -0.55 8.41 8.00 1ye9M1 HIS 507 HA 0.05 0.10 0.72 -0.75 4.63 4.74 1ye9M1 HIS 507 HB2 -0.04 0.07 0.08 -0.04 3.26 3.34 1ye9M1 HIS 507 HB3 -0.04 0.04 -0.00 -0.04 3.20 3.16 1ye9M1 HIS 507 HD2 -0.22 -0.25 0.12 -0.04 6.97 6.57 1ye9M1 HIS 507 HE1 -0.05 -0.02 -0.07 -0.04 7.75 7.56 1ye9M1 PRO 508 HA 0.19 0.03 0.50 -0.51 4.44 4.66 1ye9M1 PRO 508 HB2 0.19 0.15 0.12 -0.04 2.28 2.70 1ye9M1 PRO 508 HB3 0.17 -0.02 0.09 -0.04 2.02 2.22 1ye9M1 PRO 508 HG2 0.14 0.23 0.27 -0.04 2.03 2.63 1ye9M1 PRO 508 HG3 0.09 0.02 0.09 -0.04 2.03 2.19 1ye9M1 PRO 508 HD2 0.17 -0.22 -0.71 -0.04 3.68 2.89 1ye9M1 PRO 508 HD3 0.13 0.12 -0.04 -0.04 3.65 3.82 1ye9M1 ARG 509 H 0.18 0.52 -0.13 -0.55 8.46 8.47 1ye9M1 ARG 509 HA 0.18 0.03 0.39 -0.75 4.34 4.18 1ye9M1 ARG 509 HB2 0.13 0.16 0.22 -0.04 1.90 2.37 1ye9M1 ARG 509 HB3 0.12 -0.04 0.11 -0.04 1.80 1.94 1ye9M1 ARG 509 HG2 0.08 -0.08 0.19 -0.04 1.67 1.82 1ye9M1 ARG 509 HG3 0.04 0.22 0.18 -0.04 1.67 2.07 1ye9M1 ARG 509 HD2 0.06 -0.04 0.01 -0.04 3.22 3.22 1ye9M1 ARG 509 HD3 0.09 -0.03 -0.06 -0.04 3.22 3.18 1ye9M1 LEU 510 H 0.11 0.66 0.02 -0.55 8.37 8.62 1ye9M1 LEU 510 HA 0.07 -0.02 0.48 -0.75 4.35 4.13 1ye9M1 LEU 510 HB2 -0.00 -0.04 0.15 -0.04 1.64 1.70 1ye9M1 LEU 510 HB3 -0.03 0.12 0.25 -0.04 1.64 1.93 1ye9M1 LEU 510 HG 0.02 0.05 -0.30 -0.04 1.64 1.37 1ye9M1 LEU 510 HD13 0.00 -0.02 -0.02 -0.04 0.93 0.85 1ye9M1 LEU 510 HD23 -0.20 -0.02 -0.01 -0.04 0.89 0.62 1ye9M1 PHE 511 H 0.26 0.50 -0.35 -0.55 8.34 8.20 1ye9M1 PHE 511 HA 0.04 -0.01 0.41 -0.75 4.62 4.30 1ye9M1 PHE 511 HB2 0.06 -0.01 0.08 -0.04 3.15 3.24 1ye9M1 PHE 511 HB3 0.13 0.18 0.21 -0.04 3.06 3.53 1ye9M1 PHE 511 HD2 0.12 0.01 -0.06 -0.04 7.28 7.30 1ye9M1 PHE 511 HE2 0.09 -0.03 -0.06 -0.04 7.38 7.34 1ye9M1 PHE 511 HZ 0.05 -0.03 -0.05 -0.04 7.32 7.25 1ye9M1 TRP 512 H 0.49 0.63 0.09 -0.55 7.97 8.63 1ye9M1 TRP 512 HA -0.12 -0.04 0.45 -0.75 4.62 4.16 1ye9M1 TRP 512 HB2 0.12 -0.04 0.10 -0.04 3.23 3.37 1ye9M1 TRP 512 HB3 0.07 0.15 0.18 -0.04 3.23 3.58 1ye9M1 TRP 512 HD1 0.00 0.08 -0.15 -0.04 7.22 7.11 1ye9M1 TRP 512 HE1 -0.01 -0.05 -0.06 -0.04 10.20 10.04 1ye9M1 TRP 512 HE3 0.10 0.04 0.01 -0.04 7.59 7.69 1ye9M1 TRP 512 HZ2 -0.01 -0.04 -0.07 -0.04 7.44 7.28 1ye9M1 TRP 512 HZ3 0.07 0.02 0.02 -0.04 7.13 7.21 1ye9M1 TRP 512 HH2 0.02 0.02 -0.08 -0.04 7.19 7.10 1ye9M1 LEU 513 H 0.25 0.70 -0.18 -0.55 8.37 8.58 1ye9M1 LEU 513 HA -0.05 -0.05 0.34 -0.75 4.35 3.84 1ye9M1 LEU 513 HB2 0.10 0.17 0.14 -0.04 1.64 2.01 1ye9M1 LEU 513 HB3 0.03 -0.07 0.04 -0.04 1.64 1.60 1ye9M1 LEU 513 HG 0.26 0.08 0.04 -0.04 1.64 1.99 1ye9M1 LEU 513 HD13 0.08 -0.03 -0.01 -0.04 0.93 0.94 1ye9M1 LEU 513 HD23 0.22 -0.03 0.04 -0.04 0.89 1.07 1ye9M1 SER 514 H -0.16 0.45 -0.53 -0.55 8.46 7.67 1ye9M1 SER 514 HA -0.14 0.13 0.85 -0.75 4.49 4.57 1ye9M1 SER 514 HB2 -0.10 -0.11 0.20 -0.04 3.95 3.89 1ye9M1 SER 514 HB3 -0.07 -0.03 0.04 -0.04 3.93 3.83 1ye9M1 GLN 515 H -0.40 0.44 -0.38 -0.55 8.47 7.58 1ye9M1 GLN 515 HA -0.34 0.07 0.86 -0.75 4.36 4.20 1ye9M1 GLN 515 HB2 -0.68 0.21 0.12 -0.04 2.15 1.76 1ye9M1 GLN 515 HB3 -0.44 -0.18 -0.15 -0.04 2.02 1.21 1ye9M1 GLN 515 HG2 -0.66 0.35 -0.00 -0.04 2.40 2.04 1ye9M1 GLN 515 HG3 -0.47 -0.10 -0.08 -0.04 2.39 1.69 1ye9M1 GLN 515 HE21 -0.37 -0.07 -0.06 -0.04 6.97 6.43 1ye9M1 GLN 515 HE22 -0.57 0.12 -0.37 -0.04 7.69 6.83 1ye9M1 THR 516 H -0.31 0.12 0.16 -0.55 8.28 7.70 1ye9M1 THR 516 HA -0.23 0.21 0.40 -0.75 4.39 4.02 1ye9M1 THR 516 HB -0.25 0.05 0.13 -0.04 4.32 4.22 1ye9M1 THR 516 HG23 -0.22 0.04 0.09 -0.04 1.22 1.09 1ye9M1 PRO 517 HA -0.19 0.09 0.35 -0.51 4.44 4.19 1ye9M1 PRO 517 HB2 -0.02 -0.01 0.07 -0.04 2.28 2.29 1ye9M1 PRO 517 HB3 -0.05 0.05 0.11 -0.04 2.02 2.09 1ye9M1 PRO 517 HG2 -0.05 0.04 0.11 -0.04 2.03 2.09 1ye9M1 PRO 517 HG3 -0.08 0.09 0.13 -0.04 2.03 2.13 1ye9M1 PRO 517 HD2 -0.12 0.06 0.22 -0.04 3.68 3.81 1ye9M1 PRO 517 HD3 -0.15 0.25 0.24 -0.04 3.65 3.95 1ye9M1 PHE 518 H -0.13 0.04 -0.46 -0.55 8.34 7.24 1ye9M1 PHE 518 HA -0.20 0.13 0.75 -0.75 4.62 4.54 1ye9M1 PHE 518 HB2 -0.19 0.03 0.10 -0.04 3.15 3.06 1ye9M1 PHE 518 HB3 -0.11 0.00 0.04 -0.04 3.06 2.95 1ye9M1 PHE 518 HD2 -0.16 -0.01 -0.09 -0.04 7.28 6.97 1ye9M1 PHE 518 HE2 0.06 0.02 -0.02 -0.04 7.38 7.40 1ye9M1 PHE 518 HZ 0.02 0.03 -0.01 -0.04 7.32 7.32 1ye9M1 GLU 519 H -0.53 0.20 0.03 -0.55 8.60 7.75 1ye9M1 GLU 519 HA -0.07 0.04 0.47 -0.75 4.29 3.97 1ye9M1 GLU 519 HB2 -0.35 -0.02 0.16 -0.04 2.09 1.84 1ye9M1 GLU 519 HB3 -0.21 0.05 -0.05 -0.04 1.99 1.74 1ye9M1 GLU 519 HG2 -0.09 0.04 0.07 -0.04 2.34 2.31 1ye9M1 GLU 519 HG3 -0.36 -0.04 0.07 -0.04 2.34 1.97 1ye9M1 GLN 520 H -0.31 0.50 -0.42 -0.55 8.47 7.68 1ye9M1 GLN 520 HA -0.30 0.04 0.45 -0.75 4.36 3.80 1ye9M1 GLN 520 HB2 -0.34 0.13 0.01 -0.04 2.15 1.90 1ye9M1 GLN 520 HB3 -1.09 -0.07 -0.00 -0.04 2.02 0.82 1ye9M1 GLN 520 HG2 -0.90 -0.03 -0.12 -0.04 2.40 1.31 1ye9M1 GLN 520 HG3 -0.52 0.06 -0.51 -0.04 2.39 1.38 1ye9M1 GLN 520 HE21 -0.98 -0.14 -0.04 -0.04 6.97 5.78 1ye9M1 GLN 520 HE22 -1.08 0.33 0.15 -0.04 7.69 7.05 1ye9M1 ARG 521 H -0.10 0.38 -0.17 -0.55 8.46 8.02 1ye9M1 ARG 521 HA 0.09 0.01 0.39 -0.75 4.34 4.07 1ye9M1 ARG 521 HB2 -0.02 0.07 0.18 -0.04 1.90 2.09 1ye9M1 ARG 521 HB3 -0.13 0.09 0.13 -0.04 1.80 1.85 1ye9M1 ARG 521 HG2 0.01 -0.01 0.02 -0.04 1.67 1.65 1ye9M1 ARG 521 HG3 0.04 -0.00 -0.07 -0.04 1.67 1.60 1ye9M1 ARG 521 HD2 0.09 -0.04 0.04 -0.04 3.22 3.27 1ye9M1 ARG 521 HD3 0.07 -0.01 0.03 -0.04 3.22 3.28 1ye9M1 HIS 522 H -0.09 0.42 -0.24 -0.55 8.41 7.96 1ye9M1 HIS 522 HA 0.10 0.01 0.41 -0.75 4.63 4.39 1ye9M1 HIS 522 HB2 0.08 0.20 0.17 -0.04 3.26 3.67 1ye9M1 HIS 522 HB3 0.08 -0.04 0.03 -0.04 3.20 3.23 1ye9M1 HIS 522 HD2 0.08 -0.02 -0.04 -0.04 6.97 6.94 1ye9M1 HIS 522 HE1 0.34 -0.04 -0.05 -0.04 7.75 7.96 1ye9M1 ILE 523 H 0.21 0.43 -0.16 -0.55 8.25 8.19 1ye9M1 ILE 523 HA 0.26 0.01 0.50 -0.75 4.18 4.20 1ye9M1 ILE 523 HB 0.41 0.12 0.20 -0.04 1.89 2.58 1ye9M1 ILE 523 HG12 0.34 -0.03 0.03 -0.04 1.49 1.79 1ye9M1 ILE 523 HG13 0.23 0.01 0.05 -0.04 1.21 1.46 1ye9M1 ILE 523 HG23 0.64 -0.01 -0.11 -0.04 0.93 1.41 1ye9M1 ILE 523 HD13 0.25 -0.00 -0.04 -0.04 0.88 1.05 1ye9M1 VAL 524 H 0.33 0.59 -0.04 -0.55 8.24 8.57 1ye9M1 VAL 524 HA 0.29 -0.02 0.42 -0.75 4.13 4.07 1ye9M1 VAL 524 HB 0.20 0.18 0.16 -0.04 2.12 2.61 1ye9M1 VAL 524 HG13 0.13 -0.02 -0.13 -0.04 0.97 0.90 1ye9M1 VAL 524 HG23 0.29 0.02 0.05 -0.04 0.95 1.26 1ye9M1 ASP 525 H 0.21 0.39 -0.43 -0.55 8.40 8.03 1ye9M1 ASP 525 HA 0.16 0.04 0.54 -0.75 4.63 4.61 1ye9M1 ASP 525 HB2 0.18 0.11 0.19 -0.04 2.71 3.14 1ye9M1 ASP 525 HB3 0.11 -0.06 0.02 -0.04 2.70 2.73 1ye9M1 GLY 526 H 0.18 0.66 0.09 -0.55 8.43 8.81 1ye9M1 GLY 526 HA2 0.12 0.00 0.54 -0.51 4.01 4.16 1ye9M1 GLY 526 HA3 0.06 0.04 0.37 -0.51 4.01 3.97 1ye9M1 PHE 527 H 0.29 0.70 -0.02 -0.55 8.34 8.76 1ye9M1 PHE 527 HA 0.07 -0.01 0.36 -0.75 4.62 4.29 1ye9M1 PHE 527 HB2 0.09 0.11 0.10 -0.04 3.15 3.40 1ye9M1 PHE 527 HB3 0.05 -0.02 -0.08 -0.04 3.06 2.97 1ye9M1 PHE 527 HD2 0.09 0.06 -0.06 -0.04 7.28 7.32 1ye9M1 PHE 527 HE2 0.10 -0.01 -0.04 -0.04 7.38 7.38 1ye9M1 PHE 527 HZ 0.07 0.01 -0.04 -0.04 7.32 7.31 1ye9M1 SER 528 H 0.23 0.35 -0.43 -0.55 8.46 8.07 1ye9M1 SER 528 HA 0.13 0.03 0.34 -0.75 4.49 4.24 1ye9M1 SER 528 HB2 0.16 0.02 0.15 -0.04 3.95 4.23 1ye9M1 SER 528 HB3 0.11 -0.01 0.00 -0.04 3.93 3.99 1ye9M1 PHE 529 H 0.26 0.58 -0.05 -0.55 8.34 8.58 1ye9M1 PHE 529 HA 0.03 0.04 0.42 -0.75 4.62 4.36 1ye9M1 PHE 529 HB2 0.03 -0.01 0.14 -0.04 3.15 3.28 1ye9M1 PHE 529 HB3 0.03 0.08 0.21 -0.04 3.06 3.33 1ye9M1 PHE 529 HD2 0.01 0.01 -0.01 -0.04 7.28 7.25 1ye9M1 PHE 529 HE2 -0.00 -0.02 -0.03 -0.04 7.38 7.29 1ye9M1 PHE 529 HZ -0.00 -0.02 -0.02 -0.04 7.32 7.23 1ye9M1 GLU 530 H 0.10 0.60 -0.13 -0.55 8.60 8.62 1ye9M1 GLU 530 HA -0.25 0.02 0.28 -0.75 4.29 3.59 1ye9M1 GLU 530 HB2 -0.02 0.04 0.13 -0.04 2.09 2.20 1ye9M1 GLU 530 HB3 -0.05 -0.06 0.00 -0.04 1.99 1.84 1ye9M1 GLU 530 HG2 0.14 -0.06 0.04 -0.04 2.34 2.42 1ye9M1 GLU 530 HG3 0.00 0.04 0.02 -0.04 2.34 2.36 1ye9M1 LEU 531 H 0.03 0.51 -0.06 -0.55 8.37 8.31 1ye9M1 LEU 531 HA -0.03 -0.05 0.41 -0.75 4.35 3.94 1ye9M1 LEU 531 HB2 0.06 0.18 0.11 -0.04 1.64 1.95 1ye9M1 LEU 531 HB3 0.02 -0.07 0.07 -0.04 1.64 1.62 1ye9M1 LEU 531 HG 0.12 0.01 0.11 -0.04 1.64 1.83 1ye9M1 LEU 531 HD13 0.14 -0.01 -0.01 -0.04 0.93 1.01 1ye9M1 LEU 531 HD23 0.03 -0.03 0.00 -0.04 0.89 0.86 1ye9M1 SER 532 H -0.06 0.36 -0.64 -0.55 8.46 7.58 1ye9M1 SER 532 HA -0.03 0.03 0.47 -0.75 4.49 4.20 1ye9M1 SER 532 HB2 -0.01 -0.10 0.12 -0.04 3.95 3.92 1ye9M1 SER 532 HB3 0.00 0.26 0.17 -0.04 3.93 4.33 1ye9M1 LYS 533 H -0.18 0.53 -0.32 -0.55 8.42 7.90 1ye9M1 LYS 533 HA -0.12 0.12 0.65 -0.75 4.32 4.22 1ye9M1 LYS 533 HB2 -0.23 0.09 0.10 -0.04 1.87 1.79 1ye9M1 LYS 533 HB3 -0.15 -0.11 0.14 -0.04 1.79 1.62 1ye9M1 LYS 533 HG2 -0.33 0.02 -0.16 -0.04 1.46 0.94 1ye9M1 LYS 533 HG3 -0.71 0.03 0.00 -0.04 1.46 0.74 1ye9M1 LYS 533 HD2 -0.23 -0.06 -0.01 -0.04 1.69 1.36 1ye9M1 LYS 533 HD3 -0.13 -0.04 0.03 -0.04 1.68 1.50 1ye9M1 LYS 533 HE2 -0.08 0.05 -0.03 -0.04 2.99 2.88 1ye9M1 LYS 533 HE3 -0.12 0.01 -0.03 -0.04 2.99 2.80 1ye9M1 VAL 534 H -0.08 0.34 -0.43 -0.55 8.24 7.53 1ye9M1 VAL 534 HA -0.07 -0.04 0.58 -0.75 4.13 3.85 1ye9M1 VAL 534 HB -0.06 0.30 0.15 -0.04 2.12 2.47 1ye9M1 VAL 534 HG13 -0.10 -0.05 -0.15 -0.04 0.97 0.63 1ye9M1 VAL 534 HG23 -0.06 0.00 -0.02 -0.04 0.95 0.84 1ye9M1 VAL 535 H -0.06 0.04 0.17 -0.55 8.24 7.84 1ye9M1 VAL 535 HA -0.04 0.22 0.28 -0.75 4.13 3.84 1ye9M1 VAL 535 HB -0.03 -0.08 0.16 -0.04 2.12 2.13 1ye9M1 VAL 535 HG13 -0.01 -0.01 -0.14 -0.04 0.97 0.76 1ye9M1 VAL 535 HG23 -0.03 0.04 0.01 -0.04 0.95 0.93 1ye9M1 ARG 536 H -0.09 0.00 0.01 -0.55 8.46 7.83 1ye9M1 ARG 536 HA -0.03 0.17 0.54 -0.75 4.34 4.27 1ye9M1 ARG 536 HB2 -0.15 -0.00 0.16 -0.04 1.90 1.86 1ye9M1 ARG 536 HB3 -0.50 -0.15 0.04 -0.04 1.80 1.15 1ye9M1 ARG 536 HG2 0.24 -0.02 0.04 -0.04 1.67 1.89 1ye9M1 ARG 536 HG3 0.04 0.06 0.03 -0.04 1.67 1.76 1ye9M1 ARG 536 HD2 0.17 -0.01 0.02 -0.04 3.22 3.35 1ye9M1 ARG 536 HD3 0.11 0.03 0.02 -0.04 3.22 3.33 1ye9M1 PRO 537 HA -0.04 0.19 0.31 -0.51 4.44 4.38 1ye9M1 PRO 537 HB2 0.05 -0.04 0.08 -0.04 2.28 2.33 1ye9M1 PRO 537 HB3 0.01 0.12 0.12 -0.04 2.02 2.23 1ye9M1 PRO 537 HG2 0.04 0.00 0.14 -0.04 2.03 2.17 1ye9M1 PRO 537 HG3 0.01 0.19 0.16 -0.04 2.03 2.35 1ye9M1 PRO 537 HD2 0.09 -0.02 0.23 -0.04 3.68 3.94 1ye9M1 PRO 537 HD3 0.01 0.28 0.40 -0.04 3.65 4.30 1ye9M1 TYR 538 H 0.15 0.15 -0.07 -0.55 8.29 7.96 1ye9M1 TYR 538 HA 0.00 0.08 0.44 -0.75 4.56 4.32 1ye9M1 TYR 538 HB2 0.01 0.03 0.05 -0.04 3.06 3.11 1ye9M1 TYR 538 HB3 0.00 0.03 0.09 -0.04 2.98 3.07 1ye9M1 TYR 538 HD2 0.00 0.01 -0.16 -0.04 7.15 6.96 1ye9M1 TYR 538 HE2 0.00 0.02 -0.04 -0.04 6.85 6.79 1ye9M1 ILE 539 H -0.88 0.19 -0.30 -0.55 8.25 6.72 1ye9M1 ILE 539 HA -0.16 0.04 0.58 -0.75 4.18 3.88 1ye9M1 ILE 539 HB -0.24 0.17 0.03 -0.04 1.89 1.81 1ye9M1 ILE 539 HG12 -1.00 -0.07 -0.00 -0.04 1.49 0.38 1ye9M1 ILE 539 HG13 -0.62 0.02 0.05 -0.04 1.21 0.62 1ye9M1 ILE 539 HG23 -0.09 -0.00 -0.05 -0.04 0.93 0.75 1ye9M1 ILE 539 HD13 -0.14 0.00 0.01 -0.04 0.88 0.71 1ye9M1 ARG 540 H -0.12 0.34 -0.15 -0.55 8.46 7.97 1ye9M1 ARG 540 HA -0.02 0.01 0.46 -0.75 4.34 4.03 1ye9M1 ARG 540 HB2 -0.03 0.35 0.28 -0.04 1.90 2.46 1ye9M1 ARG 540 HB3 -0.01 -0.04 0.01 -0.04 1.80 1.72 1ye9M1 ARG 540 HG2 -0.03 -0.02 0.09 -0.04 1.67 1.67 1ye9M1 ARG 540 HG3 -0.06 0.00 0.01 -0.04 1.67 1.58 1ye9M1 ARG 540 HD2 -0.01 -0.06 0.03 -0.04 3.22 3.13 1ye9M1 ARG 540 HD3 -0.01 -0.01 -0.05 -0.04 3.22 3.10 1ye9M1 GLU 541 H 0.00 0.42 -0.09 -0.55 8.60 8.38 1ye9M1 GLU 541 HA 0.01 0.03 0.22 -0.75 4.29 3.79 1ye9M1 GLU 541 HB2 0.03 -0.03 -0.01 -0.04 2.09 2.04 1ye9M1 GLU 541 HB3 0.02 0.03 0.04 -0.04 1.99 2.04 1ye9M1 GLU 541 HG2 0.05 0.12 0.16 -0.04 2.34 2.63 1ye9M1 GLU 541 HG3 0.08 0.00 0.06 -0.04 2.34 2.45 1ye9M1 ARG 542 H 0.03 0.46 -0.28 -0.55 8.46 8.12 1ye9M1 ARG 542 HA 0.05 0.04 0.56 -0.75 4.34 4.23 1ye9M1 ARG 542 HB2 0.05 0.09 0.17 -0.04 1.90 2.17 1ye9M1 ARG 542 HB3 0.06 -0.05 -0.00 -0.04 1.80 1.77 1ye9M1 ARG 542 HG2 0.09 -0.05 0.03 -0.04 1.67 1.70 1ye9M1 ARG 542 HG3 0.11 -0.00 0.03 -0.04 1.67 1.76 1ye9M1 ARG 542 HD2 0.33 0.09 -0.16 -0.04 3.22 3.44 1ye9M1 ARG 542 HD3 0.16 -0.03 -0.02 -0.04 3.22 3.28 1ye9M1 VAL 543 H 0.02 0.58 -0.12 -0.55 8.24 8.16 1ye9M1 VAL 543 HA 0.05 0.03 0.52 -0.75 4.13 3.98 1ye9M1 VAL 543 HB 0.04 0.18 0.21 -0.04 2.12 2.51 1ye9M1 VAL 543 HG13 0.11 -0.02 -0.16 -0.04 0.97 0.86 1ye9M1 VAL 543 HG23 0.04 0.03 0.04 -0.04 0.95 1.02 1ye9M1 VAL 544 H 0.00 0.62 0.04 -0.55 8.24 8.35 1ye9M1 VAL 544 HA -0.08 0.00 0.44 -0.75 4.13 3.73 1ye9M1 VAL 544 HB -0.02 0.11 0.07 -0.04 2.12 2.25 1ye9M1 VAL 544 HG13 -0.05 -0.01 -0.19 -0.04 0.97 0.67 1ye9M1 VAL 544 HG23 -0.02 0.02 -0.03 -0.04 0.95 0.88 1ye9M1 ASP 545 H 0.00 0.41 -0.49 -0.55 8.40 7.78 1ye9M1 ASP 545 HA -0.05 -0.02 0.41 -0.75 4.63 4.22 1ye9M1 ASP 545 HB2 0.03 0.20 0.28 -0.04 2.71 3.18 1ye9M1 ASP 545 HB3 0.07 0.03 0.02 -0.04 2.70 2.79 1ye9M1 GLN 546 H 0.06 0.49 -0.12 -0.55 8.47 8.35 1ye9M1 GLN 546 HA 0.29 -0.02 0.47 -0.75 4.36 4.35 1ye9M1 GLN 546 HB2 0.09 0.17 0.21 -0.04 2.15 2.58 1ye9M1 GLN 546 HB3 0.18 -0.05 0.01 -0.04 2.02 2.11 1ye9M1 GLN 546 HG2 0.10 0.17 0.13 -0.04 2.40 2.76 1ye9M1 GLN 546 HG3 0.09 -0.04 0.05 -0.04 2.39 2.44 1ye9M1 GLN 546 HE21 0.08 -0.03 0.00 -0.04 6.97 6.98 1ye9M1 GLN 546 HE22 0.06 0.00 -0.00 -0.04 7.69 7.71 1ye9M1 LEU 547 H -0.04 0.61 -0.16 -0.55 8.37 8.23 1ye9M1 LEU 547 HA -0.13 -0.01 0.30 -0.75 4.35 3.76 1ye9M1 LEU 547 HB2 -0.18 0.22 0.21 -0.04 1.64 1.85 1ye9M1 LEU 547 HB3 -0.30 -0.13 -0.04 -0.04 1.64 1.12 1ye9M1 LEU 547 HG -0.25 0.11 -0.08 -0.04 1.64 1.37 1ye9M1 LEU 547 HD13 -0.84 -0.02 -0.09 -0.04 0.93 -0.06 1ye9M1 LEU 547 HD23 -0.43 -0.02 -0.05 -0.04 0.89 0.35 1ye9M1 ALA 548 H -0.13 0.47 -0.43 -0.55 8.40 7.76 1ye9M1 ALA 548 HA -0.20 -0.08 0.24 -0.75 4.34 3.55 1ye9M1 ALA 548 HB3 -0.26 0.05 0.10 -0.04 1.41 1.27 1ye9M1 HIS 549 H -0.20 0.41 -0.16 -0.55 8.41 7.92 1ye9M1 HIS 549 HA -0.26 -0.03 0.33 -0.75 4.63 3.91 1ye9M1 HIS 549 HB2 -0.73 0.16 0.11 -0.04 3.26 2.77 1ye9M1 HIS 549 HB3 -1.16 -0.10 0.16 -0.04 3.20 2.05 1ye9M1 HIS 549 HD2 -0.21 -0.04 0.02 -0.04 6.97 6.71 1ye9M1 HIS 549 HE1 -0.03 -0.03 -0.05 -0.04 7.75 7.59 1ye9M1 ILE 550 H -0.14 0.43 -0.97 -0.55 8.25 7.02 1ye9M1 ILE 550 HA 0.02 0.13 0.93 -0.75 4.18 4.51 1ye9M1 ILE 550 HB -0.16 0.13 0.09 -0.04 1.89 1.90 1ye9M1 ILE 550 HG12 0.25 -0.04 -0.20 -0.04 1.49 1.47 1ye9M1 ILE 550 HG13 0.04 0.19 -0.06 -0.04 1.21 1.34 1ye9M1 ILE 550 HG23 0.01 -0.03 -0.12 -0.04 0.93 0.74 1ye9M1 ILE 550 HD13 0.10 -0.04 -0.05 -0.04 0.88 0.85 1ye9M1 ASP 551 H -0.22 0.38 0.10 -0.55 8.40 8.11 1ye9M1 ASP 551 HA -0.15 0.03 0.43 -0.75 4.63 4.18 1ye9M1 ASP 551 HB2 -0.36 0.32 0.21 -0.04 2.71 2.85 1ye9M1 ASP 551 HB3 -0.78 -0.05 -0.09 -0.04 2.70 1.73 1ye9M1 LEU 552 H -0.12 0.19 0.15 -0.55 8.37 8.05 1ye9M1 LEU 552 HA -0.15 0.11 0.37 -0.75 4.35 3.92 1ye9M1 LEU 552 HB2 -0.07 -0.00 0.17 -0.04 1.64 1.70 1ye9M1 LEU 552 HB3 -0.07 0.03 -0.01 -0.04 1.64 1.55 1ye9M1 LEU 552 HG -0.12 0.06 0.05 -0.04 1.64 1.58 1ye9M1 LEU 552 HD13 -0.07 0.01 0.02 -0.04 0.93 0.85 1ye9M1 LEU 552 HD23 -0.08 0.00 0.02 -0.04 0.89 0.79 1ye9M1 THR 553 H -0.08 0.11 -0.10 -0.55 8.28 7.67 1ye9M1 THR 553 HA -0.02 0.07 0.38 -0.75 4.39 4.07 1ye9M1 THR 553 HB 0.14 0.02 0.01 -0.04 4.32 4.44 1ye9M1 THR 553 HG23 0.12 0.01 -0.02 -0.04 1.22 1.29 1ye9M1 LEU 554 H -0.45 0.12 -0.27 -0.55 8.37 7.21 1ye9M1 LEU 554 HA -0.27 0.02 0.20 -0.75 4.35 3.55 1ye9M1 LEU 554 HB2 -2.22 -0.01 0.03 -0.04 1.64 -0.60 1ye9M1 LEU 554 HB3 -0.89 0.13 0.07 -0.04 1.64 0.90 1ye9M1 LEU 554 HG -0.46 0.02 -0.45 -0.04 1.64 0.70 1ye9M1 LEU 554 HD13 -0.21 -0.01 -0.06 -0.04 0.93 0.61 1ye9M1 LEU 554 HD23 -0.55 0.03 -0.07 -0.04 0.89 0.26 1ye9M1 ALA 555 H -0.30 0.47 -0.17 -0.55 8.40 7.85 1ye9M1 ALA 555 HA -0.20 0.01 0.39 -0.75 4.34 3.78 1ye9M1 ALA 555 HB3 -0.16 0.03 -0.03 -0.04 1.41 1.21 1ye9M1 GLN 556 H -0.10 0.64 -0.11 -0.55 8.47 8.35 1ye9M1 GLN 556 HA -0.05 -0.03 0.23 -0.75 4.36 3.76 1ye9M1 GLN 556 HB2 -0.04 0.14 0.20 -0.04 2.15 2.40 1ye9M1 GLN 556 HB3 -0.02 -0.04 -0.07 -0.04 2.02 1.85 1ye9M1 GLN 556 HG2 -0.03 -0.03 0.01 -0.04 2.40 2.31 1ye9M1 GLN 556 HG3 -0.06 -0.03 0.03 -0.04 2.39 2.29 1ye9M1 GLN 556 HE21 -0.02 -0.05 -0.06 -0.04 6.97 6.81 1ye9M1 GLN 556 HE22 -0.01 0.00 -0.03 -0.04 7.69 7.60 1ye9M1 ALA 557 H -0.02 0.70 -0.03 -0.55 8.40 8.50 1ye9M1 ALA 557 HA 0.03 -0.01 0.40 -0.75 4.34 4.01 1ye9M1 ALA 557 HB3 0.07 0.01 0.09 -0.04 1.41 1.53 1ye9M1 VAL 558 H -0.02 0.48 -0.10 -0.55 8.24 8.06 1ye9M1 VAL 558 HA 0.06 0.02 0.31 -0.75 4.13 3.76 1ye9M1 VAL 558 HB -0.07 0.17 0.19 -0.04 2.12 2.37 1ye9M1 VAL 558 HG13 0.04 -0.02 -0.18 -0.04 0.97 0.76 1ye9M1 VAL 558 HG23 -0.01 0.04 0.08 -0.04 0.95 1.01 1ye9M1 ALA 559 H -0.03 0.76 0.00 -0.55 8.40 8.58 1ye9M1 ALA 559 HA -0.01 -0.00 0.33 -0.75 4.34 3.90 1ye9M1 ALA 559 HB3 -0.03 -0.00 0.04 -0.04 1.41 1.38 1ye9M1 LYS 560 H 0.00 0.83 -0.18 -0.55 8.42 8.51 1ye9M1 LYS 560 HA 0.01 -0.11 0.46 -0.75 4.32 3.92 1ye9M1 LYS 560 HB2 0.01 -0.06 0.13 -0.04 1.87 1.90 1ye9M1 LYS 560 HB3 0.02 0.28 0.23 -0.04 1.79 2.27 1ye9M1 LYS 560 HG2 0.02 0.03 -0.18 -0.04 1.46 1.30 1ye9M1 LYS 560 HG3 0.01 -0.07 0.06 -0.04 1.46 1.43 1ye9M1 LYS 560 HD2 0.02 0.01 0.00 -0.04 1.69 1.68 1ye9M1 LYS 560 HD3 0.02 -0.03 -0.01 -0.04 1.68 1.61 1ye9M1 LYS 560 HE2 0.01 0.02 0.00 -0.04 2.99 2.98 1ye9M1 LYS 560 HE3 0.01 -0.04 -0.01 -0.04 2.99 2.91 1ye9M1 ASN 561 H 0.03 0.45 -0.14 -0.55 8.53 8.32 1ye9M1 ASN 561 HA 0.04 0.01 0.45 -0.75 4.76 4.50 1ye9M1 ASN 561 HB2 0.06 0.13 0.17 -0.04 2.88 3.19 1ye9M1 ASN 561 HB3 0.06 -0.03 0.05 -0.04 2.79 2.83 1ye9M1 ASN 561 HD21 0.08 -0.08 -0.08 -0.04 7.03 6.91 1ye9M1 ASN 561 HD22 0.09 0.03 -0.05 -0.04 7.74 7.77 1ye9M1 LEU 562 H 0.02 0.33 -0.22 -0.55 8.37 7.95 1ye9M1 LEU 562 HA 0.02 0.19 0.89 -0.75 4.35 4.69 1ye9M1 LEU 562 HB2 0.01 -0.05 -0.09 -0.04 1.64 1.47 1ye9M1 LEU 562 HB3 0.01 -0.00 0.08 -0.04 1.64 1.68 1ye9M1 LEU 562 HG 0.04 0.12 -0.10 -0.04 1.64 1.66 1ye9M1 LEU 562 HD13 0.02 -0.03 -0.13 -0.04 0.93 0.76 1ye9M1 LEU 562 HD23 0.03 0.04 -0.14 -0.04 0.89 0.79 1ye9M1 GLY 563 H 0.01 0.22 -0.30 -0.55 8.43 7.82 1ye9M1 GLY 563 HA2 0.01 0.01 0.32 -0.51 4.01 3.84 1ye9M1 GLY 563 HA3 0.01 0.04 0.38 -0.51 4.01 3.93 1ye9M1 ILE 564 H 0.00 0.36 -0.06 -0.55 8.25 8.01 1ye9M1 ILE 564 HA 0.00 0.20 0.50 -0.75 4.18 4.13 1ye9M1 ILE 564 HB -0.01 -0.04 -0.02 -0.04 1.89 1.79 1ye9M1 ILE 564 HG12 0.01 -0.00 -0.15 -0.04 1.49 1.30 1ye9M1 ILE 564 HG13 0.00 0.04 -1.14 -0.04 1.21 0.08 1ye9M1 ILE 564 HG23 -0.00 -0.01 0.01 -0.04 0.93 0.88 1ye9M1 ILE 564 HD13 0.00 -0.01 -0.16 -0.04 0.88 0.66