============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 83 rings ring int. center anis. iso. TYR 11 0.840 28.761 86.979 23.091 -99.200 -91.000 TRP 16 1.040 28.342 94.160 25.431 -99.200 -91.000 TRP6 16 1.020 26.123 94.466 26.195 -99.200 -91.000 TYR 35 0.840 24.561 98.906 35.668 -99.200 -91.000 PHE 42 1.000 29.587 90.063 27.889 -99.200 -91.000 PHE 48 1.000 30.905 92.724 32.064 -99.200 -91.000 TRP 49 1.040 26.032 88.282 37.360 -99.200 -91.000 TRP6 49 1.020 23.711 88.547 37.709 -99.200 -91.000 TYR 52 0.840 21.673 94.800 37.958 -99.200 -91.000 TYR 62 0.840 20.834 98.961 51.985 -99.200 -91.000 PHE 69 1.000 25.250 90.038 46.788 -99.200 -91.000 HIS 78 0.900 35.276 87.986 40.176 -99.200 -91.000 TRP 82 1.040 31.188 83.680 46.055 -99.200 -91.000 TRP6 82 1.020 29.894 82.461 47.618 -99.200 -91.000 TYR 85 0.840 26.312 86.719 50.703 -99.200 -91.000 TYR 88 0.840 23.269 92.083 51.029 -99.200 -91.000 TYR 99 0.840 27.012 91.317 62.323 -99.200 -91.000 TYR 107 0.840 33.124 86.351 57.827 -99.200 -91.000 PHE 109 1.000 26.591 80.374 50.557 -99.200 -91.000 TYR 121 0.840 45.923 86.413 54.521 -99.200 -91.000 TRP 124 1.040 40.712 81.318 54.051 -99.200 -91.000 TRP6 124 1.020 40.100 79.195 54.879 -99.200 -91.000 TYR 127 0.840 34.405 82.170 60.116 -99.200 -91.000 PHE 130 1.000 31.606 87.202 63.318 -99.200 -91.000 TYR 140 0.840 30.768 75.104 77.568 -99.200 -91.000 TYR 153 0.840 44.559 81.756 63.263 -99.200 -91.000 TRP 168 1.040 52.817 77.921 60.543 -99.200 -91.000 TRP6 168 1.020 51.637 75.980 61.169 -99.200 -91.000 TYR 171 0.840 47.272 77.390 64.759 -99.200 -91.000 TYR 174 0.840 43.781 82.246 68.945 -99.200 -91.000 HIS 181 0.900 54.407 76.302 80.154 -99.200 -91.000 TYR 194 0.840 52.551 76.636 57.102 -99.200 -91.000 TYR 204 0.840 45.773 77.713 43.571 -99.200 -91.000 TRP 231 1.040 41.753 79.854 31.935 -99.200 -91.000 TRP6 231 1.020 41.274 80.045 34.246 -99.200 -91.000 TYR 234 0.840 43.741 76.344 38.263 -99.200 -91.000 TRP 237 1.040 49.895 72.473 39.849 -99.200 -91.000 TRP6 237 1.020 48.582 73.431 41.561 -99.200 -91.000 PHE 257 1.000 37.956 77.000 43.494 -99.200 -91.000 TYR 259 0.840 37.736 70.373 33.996 -99.200 -91.000 HIS 268 0.900 29.904 81.855 25.431 -99.200 -91.000 HIS 269 0.900 36.562 78.221 24.600 -99.200 -91.000 TRP 273 1.040 30.606 74.269 29.538 -99.200 -91.000 TRP6 273 1.020 29.667 74.581 31.680 -99.200 -91.000 TYR 274 0.840 33.229 64.807 26.239 -99.200 -91.000 TYR 279 0.840 39.362 64.627 37.328 -99.200 -91.000 PHE 299 1.000 33.345 63.354 43.561 -99.200 -91.000 TYR 307 0.840 27.572 65.595 30.078 -99.200 -91.000 TYR 322 0.840 20.501 70.130 24.465 -99.200 -91.000 PHE 323 1.000 23.270 64.947 19.176 -99.200 -91.000 TYR 325 0.840 22.118 65.946 30.518 -99.200 -91.000 TYR 328 0.840 27.028 60.735 33.177 -99.200 -91.000 TYR 335 0.840 18.051 52.512 28.753 -99.200 -91.000 HIS 339 0.900 12.401 58.328 25.104 -99.200 -91.000 TYR 342 0.840 18.775 61.841 22.236 -99.200 -91.000 TYR 357 0.840 13.131 65.035 14.778 -99.200 -91.000 TYR 360 0.840 14.291 61.019 20.976 -99.200 -91.000 PHE 363 1.000 17.570 56.610 23.958 -99.200 -91.000 PHE 377 1.000 11.353 57.379 9.469 -99.200 -91.000 HIS 388 0.900 19.170 64.439 2.347 -99.200 -91.000 HIS 389 0.900 20.941 65.521 5.544 -99.200 -91.000 TYR 391 0.840 11.535 60.938 5.268 -99.200 -91.000 TYR 399 0.840 21.097 46.326 3.770 -99.200 -91.000 TYR 400 0.840 24.061 49.132 6.887 -99.200 -91.000 PHE 409 1.000 11.078 49.863 -3.220 -99.200 -91.000 PHE 412 1.000 17.377 54.222 1.191 -99.200 -91.000 TYR 419 0.840 13.158 65.261 2.446 -99.200 -91.000 TYR 425 0.840 16.319 60.592 -0.223 -99.200 -91.000 TYR 429 0.840 16.108 54.593 -3.542 -99.200 -91.000 TYR 432 0.840 19.484 49.824 0.496 -99.200 -91.000 HIS 435 0.900 27.860 49.699 -1.659 -99.200 -91.000 PHE 446 1.000 23.008 54.511 -11.304 -99.200 -91.000 TRP 464 1.040 23.842 62.262 -16.145 -99.200 -91.000 TRP6 464 1.020 23.032 60.620 -17.645 -99.200 -91.000 PHE 467 1.000 23.330 54.649 -15.663 -99.200 -91.000 PHE 470 1.000 24.865 49.353 -12.460 -99.200 -91.000 PHE 488 1.000 29.866 66.688 -24.537 -99.200 -91.000 PHE 491 1.000 25.506 67.609 -16.205 -99.200 -91.000 TYR 495 0.840 30.394 67.787 -17.737 -99.200 -91.000 TYR 507 0.840 40.117 54.913 -19.848 -99.200 -91.000 PHE 509 1.000 40.137 50.626 -7.673 -99.200 -91.000 TYR 513 0.840 43.556 60.215 -9.938 -99.200 -91.000 TYR 525 0.840 40.692 64.496 -12.771 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ooeA1 MET 20 HA -0.05 -0.03 0.24 -0.75 4.52 3.93 2ooeA1 MET 20 HB2 -0.05 -0.02 0.06 -0.04 2.15 2.10 2ooeA1 MET 20 HB3 -0.06 -0.11 -0.01 -0.04 2.03 1.81 2ooeA1 MET 20 HG2 -0.04 0.03 0.05 -0.04 2.63 2.62 2ooeA1 MET 20 HG3 -0.04 0.04 0.05 -0.04 2.56 2.57 2ooeA1 MET 20 HE3 -0.05 -0.00 -0.00 -0.04 2.10 2.01 2ooeA1 ALA 21 H -0.08 0.18 0.11 -0.55 8.40 8.07 2ooeA1 ALA 21 HA -0.10 0.08 0.47 -0.75 4.34 4.04 2ooeA1 ALA 21 HB3 -0.13 0.02 0.11 -0.04 1.41 1.37 2ooeA1 GLU 22 H -0.12 0.11 -0.11 -0.55 8.60 7.93 2ooeA1 GLU 22 HA -0.22 0.12 0.32 -0.75 4.29 3.76 2ooeA1 GLU 22 HB2 -0.10 -0.02 -0.02 -0.04 2.09 1.91 2ooeA1 GLU 22 HB3 -0.11 0.09 -0.04 -0.04 1.99 1.88 2ooeA1 GLU 22 HG2 -0.13 -0.10 0.04 -0.04 2.34 2.11 2ooeA1 GLU 22 HG3 -0.10 0.05 -0.00 -0.04 2.34 2.25 2ooeA1 LYS 23 H -0.09 0.13 -0.55 -0.55 8.42 7.36 2ooeA1 LYS 23 HA -0.06 0.07 0.38 -0.75 4.32 3.95 2ooeA1 LYS 23 HB2 -0.05 -0.03 0.09 -0.04 1.87 1.83 2ooeA1 LYS 23 HB3 -0.05 0.12 0.09 -0.04 1.79 1.91 2ooeA1 LYS 23 HG2 -0.04 -0.02 0.02 -0.04 1.46 1.38 2ooeA1 LYS 23 HG3 -0.03 0.03 0.01 -0.04 1.46 1.42 2ooeA1 LYS 23 HD2 -0.03 0.01 -0.16 -0.04 1.69 1.47 2ooeA1 LYS 23 HD3 -0.04 -0.07 -0.04 -0.04 1.68 1.50 2ooeA1 LYS 23 HE2 -0.02 0.01 -0.02 -0.04 2.99 2.92 2ooeA1 LYS 23 HE3 -0.02 0.01 -0.02 -0.04 2.99 2.92 2ooeA1 LYS 24 H -0.08 0.36 -0.05 -0.55 8.42 8.09 2ooeA1 LYS 24 HA -0.04 -0.01 0.40 -0.75 4.32 3.91 2ooeA1 LYS 24 HB2 -0.11 0.12 0.15 -0.04 1.87 1.99 2ooeA1 LYS 24 HB3 -0.05 -0.10 0.12 -0.04 1.79 1.72 2ooeA1 LYS 24 HG2 -0.04 0.00 0.08 -0.04 1.46 1.46 2ooeA1 LYS 24 HG3 -0.07 0.13 0.17 -0.04 1.46 1.65 2ooeA1 LYS 24 HD2 -0.04 0.03 -0.03 -0.04 1.69 1.62 2ooeA1 LYS 24 HD3 -0.05 -0.10 -0.01 -0.04 1.68 1.48 2ooeA1 LYS 24 HE2 -0.01 -0.04 0.05 -0.04 2.99 2.95 2ooeA1 LYS 24 HE3 -0.02 0.04 0.02 -0.04 2.99 3.00 2ooeA1 LEU 25 H -0.16 0.27 -0.57 -0.55 8.37 7.37 2ooeA1 LEU 25 HA -0.13 0.20 0.24 -0.75 4.35 3.90 2ooeA1 LEU 25 HB2 -0.25 0.12 0.09 -0.04 1.64 1.56 2ooeA1 LEU 25 HB3 -0.26 0.01 -0.02 -0.04 1.64 1.33 2ooeA1 LEU 25 HG -0.44 -0.01 -0.05 -0.04 1.64 1.09 2ooeA1 LEU 25 HD13 -0.95 -0.03 -0.09 -0.04 0.93 -0.18 2ooeA1 LEU 25 HD23 -0.64 0.03 -0.00 -0.04 0.89 0.24 2ooeA1 GLU 26 H -0.09 0.28 -0.16 -0.55 8.60 8.08 2ooeA1 GLU 26 HA -0.05 -0.02 0.40 -0.75 4.29 3.86 2ooeA1 GLU 26 HB2 -0.04 0.12 0.17 -0.04 2.09 2.29 2ooeA1 GLU 26 HB3 -0.03 -0.07 0.03 -0.04 1.99 1.87 2ooeA1 GLU 26 HG2 -0.05 -0.04 0.00 -0.04 2.34 2.21 2ooeA1 GLU 26 HG3 -0.07 0.19 0.01 -0.04 2.34 2.43 2ooeA1 GLU 27 H -0.04 0.35 -0.32 -0.55 8.60 8.04 2ooeA1 GLU 27 HA -0.00 0.01 0.48 -0.75 4.29 4.03 2ooeA1 GLU 27 HB2 -0.01 -0.02 0.12 -0.04 2.09 2.13 2ooeA1 GLU 27 HB3 -0.01 -0.05 0.30 -0.04 1.99 2.19 2ooeA1 GLU 27 HG2 0.00 -0.06 0.06 -0.04 2.34 2.30 2ooeA1 GLU 27 HG3 0.01 -0.01 -0.01 -0.04 2.34 2.29 2ooeA1 ASN 28 H 0.01 0.19 0.17 -0.55 8.53 8.36 2ooeA1 ASN 28 HA 0.07 0.18 0.68 -0.75 4.76 4.93 2ooeA1 ASN 28 HB2 0.06 -0.01 0.11 -0.04 2.88 3.00 2ooeA1 ASN 28 HB3 0.06 -0.06 0.21 -0.04 2.79 2.96 2ooeA1 ASN 28 HD21 0.15 0.06 -0.13 -0.04 7.03 7.06 2ooeA1 ASN 28 HD22 0.10 -0.06 -0.03 -0.04 7.74 7.72 2ooeA1 PRO 29 HA -0.02 0.15 0.45 -0.51 4.44 4.51 2ooeA1 PRO 29 HB2 -0.22 -0.03 0.06 -0.04 2.28 2.05 2ooeA1 PRO 29 HB3 -0.10 0.03 0.13 -0.04 2.02 2.04 2ooeA1 PRO 29 HG2 0.03 -0.03 0.14 -0.04 2.03 2.12 2ooeA1 PRO 29 HG3 -0.01 0.20 0.12 -0.04 2.03 2.30 2ooeA1 PRO 29 HD2 0.13 -0.05 0.26 -0.04 3.68 3.98 2ooeA1 PRO 29 HD3 0.05 0.57 0.48 -0.04 3.65 4.70 2ooeA1 TYR 30 H 0.26 0.08 -0.32 -0.55 8.29 7.76 2ooeA1 TYR 30 HA 0.48 0.25 0.66 -0.75 4.56 5.20 2ooeA1 TYR 30 HB2 0.10 -0.04 0.05 -0.04 3.06 3.12 2ooeA1 TYR 30 HB3 0.20 -0.03 0.15 -0.04 2.98 3.26 2ooeA1 TYR 30 HD2 -0.14 -0.03 0.04 -0.04 7.15 6.98 2ooeA1 TYR 30 HE2 -0.26 0.11 0.10 -0.04 6.85 6.76 2ooeA1 ASP 31 H 0.19 0.65 -0.52 -0.55 8.40 8.18 2ooeA1 ASP 31 HA 0.18 -0.03 0.42 -0.75 4.63 4.44 2ooeA1 ASP 31 HB2 0.03 0.37 0.12 -0.04 2.71 3.19 2ooeA1 ASP 31 HB3 -0.05 -0.07 0.08 -0.04 2.70 2.61 2ooeA1 LEU 32 H 0.24 0.20 0.32 -0.55 8.37 8.58 2ooeA1 LEU 32 HA 0.43 0.14 0.42 -0.75 4.35 4.58 2ooeA1 LEU 32 HB2 0.16 -0.06 0.14 -0.04 1.64 1.84 2ooeA1 LEU 32 HB3 0.15 -0.01 0.07 -0.04 1.64 1.81 2ooeA1 LEU 32 HG 0.30 0.23 0.17 -0.04 1.64 2.29 2ooeA1 LEU 32 HD13 0.14 -0.00 0.06 -0.04 0.93 1.09 2ooeA1 LEU 32 HD23 0.21 0.01 0.00 -0.04 0.89 1.06 2ooeA1 ASP 33 H 0.11 0.08 -0.17 -0.55 8.40 7.86 2ooeA1 ASP 33 HA 0.06 0.10 0.35 -0.75 4.63 4.38 2ooeA1 ASP 33 HB2 0.03 -0.04 0.09 -0.04 2.71 2.75 2ooeA1 ASP 33 HB3 0.01 0.05 -0.08 -0.04 2.70 2.64 2ooeA1 ALA 34 H -0.03 0.14 -0.21 -0.55 8.40 7.76 2ooeA1 ALA 34 HA -0.11 -0.01 0.41 -0.75 4.34 3.87 2ooeA1 ALA 34 HB3 -0.31 0.06 0.04 -0.04 1.41 1.15 2ooeA1 TRP 35 H -0.00 0.47 -0.25 -0.55 7.97 7.63 2ooeA1 TRP 35 HA -0.08 0.00 0.32 -0.75 4.62 4.11 2ooeA1 TRP 35 HB2 -0.06 0.09 0.12 -0.04 3.23 3.34 2ooeA1 TRP 35 HB3 -0.24 -0.04 -0.02 -0.04 3.23 2.88 2ooeA1 TRP 35 HD1 0.20 0.01 -0.48 -0.04 7.22 6.92 2ooeA1 TRP 35 HE1 0.08 0.45 0.15 -0.04 10.20 10.85 2ooeA1 TRP 35 HE3 -0.13 -0.11 -0.01 -0.04 7.59 7.30 2ooeA1 TRP 35 HZ2 -0.07 0.09 0.02 -0.04 7.44 7.44 2ooeA1 TRP 35 HZ3 -0.09 -0.00 -0.14 -0.04 7.13 6.86 2ooeA1 TRP 35 HH2 -0.05 0.05 -0.15 -0.04 7.19 7.00 2ooeA1 SER 36 H 0.13 0.56 -0.23 -0.55 8.46 8.37 2ooeA1 SER 36 HA 0.05 0.02 0.37 -0.75 4.49 4.17 2ooeA1 SER 36 HB2 0.05 -0.05 0.07 -0.04 3.95 3.97 2ooeA1 SER 36 HB3 0.08 0.03 0.10 -0.04 3.93 4.10 2ooeA1 ILE 37 H 0.00 0.46 -0.34 -0.55 8.25 7.82 2ooeA1 ILE 37 HA -0.01 0.04 0.55 -0.75 4.18 4.01 2ooeA1 ILE 37 HB -0.06 0.20 0.26 -0.04 1.89 2.25 2ooeA1 ILE 37 HG12 -0.02 -0.03 0.03 -0.04 1.49 1.43 2ooeA1 ILE 37 HG13 -0.01 0.18 0.06 -0.04 1.21 1.40 2ooeA1 ILE 37 HG23 -0.05 -0.03 -0.11 -0.04 0.93 0.70 2ooeA1 ILE 37 HD13 -0.04 -0.04 -0.02 -0.04 0.88 0.74 2ooeA1 LEU 38 H -0.05 0.59 0.07 -0.55 8.37 8.43 2ooeA1 LEU 38 HA -0.07 -0.01 0.31 -0.75 4.35 3.83 2ooeA1 LEU 38 HB2 0.08 0.12 0.07 -0.04 1.64 1.87 2ooeA1 LEU 38 HB3 -0.03 -0.01 -0.01 -0.04 1.64 1.54 2ooeA1 LEU 38 HG -0.24 0.12 -0.08 -0.04 1.64 1.40 2ooeA1 LEU 38 HD13 -0.44 0.01 -0.08 -0.04 0.93 0.37 2ooeA1 LEU 38 HD23 -0.16 -0.04 -0.05 -0.04 0.89 0.61 2ooeA1 ILE 39 H 0.04 0.63 -0.36 -0.55 8.25 8.01 2ooeA1 ILE 39 HA 0.04 0.03 0.43 -0.75 4.18 3.93 2ooeA1 ILE 39 HB 0.02 0.06 0.09 -0.04 1.89 2.02 2ooeA1 ILE 39 HG12 -0.03 -0.07 -0.05 -0.04 1.49 1.30 2ooeA1 ILE 39 HG13 0.04 0.23 0.04 -0.04 1.21 1.48 2ooeA1 ILE 39 HG23 0.05 -0.02 -0.10 -0.04 0.93 0.81 2ooeA1 ILE 39 HD13 -0.39 -0.04 -0.12 -0.04 0.88 0.30 2ooeA1 ARG 40 H 0.01 0.45 -0.21 -0.55 8.46 8.15 2ooeA1 ARG 40 HA 0.02 0.00 0.45 -0.75 4.34 4.06 2ooeA1 ARG 40 HB2 -0.00 0.07 0.32 -0.04 1.90 2.25 2ooeA1 ARG 40 HB3 -0.00 -0.07 0.00 -0.04 1.80 1.68 2ooeA1 ARG 40 HG2 0.02 -0.06 0.08 -0.04 1.67 1.66 2ooeA1 ARG 40 HG3 0.02 0.17 0.08 -0.04 1.67 1.89 2ooeA1 ARG 40 HD2 0.00 -0.02 0.01 -0.04 3.22 3.17 2ooeA1 ARG 40 HD3 0.01 -0.03 0.02 -0.04 3.22 3.17 2ooeA1 GLU 41 H -0.03 0.59 -0.15 -0.55 8.60 8.47 2ooeA1 GLU 41 HA -0.02 0.05 0.73 -0.75 4.29 4.29 2ooeA1 GLU 41 HB2 -0.05 -0.01 0.06 -0.04 2.09 2.05 2ooeA1 GLU 41 HB3 -0.03 -0.04 0.04 -0.04 1.99 1.92 2ooeA1 GLU 41 HG2 -0.04 0.35 0.06 -0.04 2.34 2.67 2ooeA1 GLU 41 HG3 -0.07 0.03 -0.08 -0.04 2.34 2.19 2ooeA1 ALA 42 H -0.03 0.19 -0.71 -0.55 8.40 7.31 2ooeA1 ALA 42 HA -0.20 -0.02 0.34 -0.75 4.34 3.71 2ooeA1 ALA 42 HB3 -0.12 0.08 0.11 -0.04 1.41 1.44 2ooeA1 GLN 43 H 0.00 0.22 -0.46 -0.55 8.47 7.69 2ooeA1 GLN 43 HA 0.03 0.18 0.77 -0.75 4.36 4.59 2ooeA1 GLN 43 HB2 0.03 -0.04 0.00 -0.04 2.15 2.10 2ooeA1 GLN 43 HB3 0.06 -0.02 0.03 -0.04 2.02 2.05 2ooeA1 GLN 43 HG2 0.01 0.10 0.11 -0.04 2.40 2.58 2ooeA1 GLN 43 HG3 0.02 -0.06 0.01 -0.04 2.39 2.32 2ooeA1 GLN 43 HE21 0.04 -0.06 0.00 -0.04 6.97 6.91 2ooeA1 GLN 43 HE22 0.03 -0.04 0.03 -0.04 7.69 7.67 2ooeA1 ASN 44 H -0.02 0.11 -0.15 -0.55 8.53 7.92 2ooeA1 ASN 44 HA -0.01 0.02 0.38 -0.75 4.76 4.40 2ooeA1 ASN 44 HB2 -0.03 0.04 0.17 -0.04 2.88 3.03 2ooeA1 ASN 44 HB3 -0.02 -0.04 0.23 -0.04 2.79 2.92 2ooeA1 ASN 44 HD21 -0.01 -0.02 0.03 -0.04 7.03 6.99 2ooeA1 ASN 44 HD22 -0.01 -0.02 0.06 -0.04 7.74 7.73 2ooeA1 GLN 45 H -0.03 0.44 -1.49 -0.55 8.47 6.84 2ooeA1 GLN 45 HA -0.03 0.04 0.47 -0.75 4.36 4.08 2ooeA1 GLN 45 HB2 -0.06 -0.11 0.00 -0.04 2.15 1.94 2ooeA1 GLN 45 HB3 -0.05 0.08 -0.06 -0.04 2.02 1.95 2ooeA1 GLN 45 HG2 -0.08 0.16 -0.44 -0.04 2.40 2.00 2ooeA1 GLN 45 HG3 -0.12 -0.02 -0.20 -0.04 2.39 2.01 2ooeA1 GLN 45 HE21 -0.13 -0.03 -0.18 -0.04 6.97 6.59 2ooeA1 GLN 45 HE22 -0.19 -0.08 -0.35 -0.04 7.69 7.03 2ooeA1 PRO 46 HA -0.01 0.12 0.54 -0.51 4.44 4.58 2ooeA1 PRO 46 HB2 -0.03 -0.13 0.12 -0.04 2.28 2.21 2ooeA1 PRO 46 HB3 -0.01 0.07 0.15 -0.04 2.02 2.18 2ooeA1 PRO 46 HG2 -0.02 0.06 0.11 -0.04 2.03 2.13 2ooeA1 PRO 46 HG3 -0.01 0.10 0.09 -0.04 2.03 2.17 2ooeA1 PRO 46 HD2 -0.04 0.07 0.23 -0.04 3.68 3.90 2ooeA1 PRO 46 HD3 -0.03 0.22 0.20 -0.04 3.65 4.01 2ooeA1 ILE 47 H -0.00 0.23 0.22 -0.55 8.25 8.15 2ooeA1 ILE 47 HA -0.00 0.09 0.36 -0.75 4.18 3.87 2ooeA1 ILE 47 HB 0.03 0.10 0.17 -0.04 1.89 2.15 2ooeA1 ILE 47 HG12 0.06 0.02 0.04 -0.04 1.49 1.57 2ooeA1 ILE 47 HG13 0.06 -0.03 0.13 -0.04 1.21 1.32 2ooeA1 ILE 47 HG23 0.01 0.01 -0.07 -0.04 0.93 0.83 2ooeA1 ILE 47 HD13 0.16 0.01 -0.06 -0.04 0.88 0.95 2ooeA1 ASP 48 H -0.03 0.03 -0.68 -0.55 8.40 7.18 2ooeA1 ASP 48 HA -0.02 0.16 0.66 -0.75 4.63 4.68 2ooeA1 ASP 48 HB2 -0.02 -0.00 0.04 -0.04 2.71 2.68 2ooeA1 ASP 48 HB3 -0.02 0.05 0.03 -0.04 2.70 2.72 2ooeA1 LYS 49 H -0.06 0.38 0.03 -0.55 8.42 8.22 2ooeA1 LYS 49 HA -0.08 0.14 0.65 -0.75 4.32 4.28 2ooeA1 LYS 49 HB2 -0.06 -0.05 0.06 -0.04 1.87 1.78 2ooeA1 LYS 49 HB3 -0.08 0.10 0.05 -0.04 1.79 1.82 2ooeA1 LYS 49 HG2 -0.10 0.01 -0.13 -0.04 1.46 1.20 2ooeA1 LYS 49 HG3 -0.07 -0.02 0.05 -0.04 1.46 1.37 2ooeA1 LYS 49 HD2 -0.05 -0.03 0.00 -0.04 1.69 1.57 2ooeA1 LYS 49 HD3 -0.06 0.05 -0.04 -0.04 1.68 1.59 2ooeA1 LYS 49 HE2 -0.08 0.02 -0.06 -0.04 2.99 2.83 2ooeA1 LYS 49 HE3 -0.06 -0.03 -0.02 -0.04 2.99 2.84 2ooeA1 ALA 50 H -0.14 0.45 -0.04 -0.55 8.40 8.13 2ooeA1 ALA 50 HA -0.39 0.10 0.46 -0.75 4.34 3.75 2ooeA1 ALA 50 HB3 -0.39 0.05 0.02 -0.04 1.41 1.04 2ooeA1 ARG 51 H -0.15 0.33 -0.18 -0.55 8.46 7.91 2ooeA1 ARG 51 HA -0.25 -0.02 0.35 -0.75 4.34 3.67 2ooeA1 ARG 51 HB2 0.02 0.09 0.19 -0.04 1.90 2.16 2ooeA1 ARG 51 HB3 -0.05 0.10 0.03 -0.04 1.80 1.84 2ooeA1 ARG 51 HG2 -0.01 0.01 -0.30 -0.04 1.67 1.33 2ooeA1 ARG 51 HG3 0.10 -0.06 0.01 -0.04 1.67 1.68 2ooeA1 ARG 51 HD2 0.02 0.04 0.02 -0.04 3.22 3.26 2ooeA1 ARG 51 HD3 0.08 -0.04 -0.01 -0.04 3.22 3.21 2ooeA1 LYS 52 H -0.15 0.19 -0.84 -0.55 8.42 7.07 2ooeA1 LYS 52 HA -0.08 0.02 0.39 -0.75 4.32 3.90 2ooeA1 LYS 52 HB2 -0.11 0.23 0.07 -0.04 1.87 2.01 2ooeA1 LYS 52 HB3 -0.07 -0.05 0.02 -0.04 1.79 1.66 2ooeA1 LYS 52 HG2 -0.05 -0.05 0.02 -0.04 1.46 1.34 2ooeA1 LYS 52 HG3 -0.08 0.09 0.01 -0.04 1.46 1.44 2ooeA1 LYS 52 HD2 -0.07 0.02 0.13 -0.04 1.69 1.73 2ooeA1 LYS 52 HD3 -0.05 -0.05 0.03 -0.04 1.68 1.57 2ooeA1 LYS 52 HE2 -0.03 -0.06 0.02 -0.04 2.99 2.88 2ooeA1 LYS 52 HE3 -0.04 0.32 0.06 -0.04 2.99 3.29 2ooeA1 THR 53 H -0.27 0.47 -0.05 -0.55 8.28 7.88 2ooeA1 THR 53 HA -0.07 0.04 0.47 -0.75 4.39 4.08 2ooeA1 THR 53 HB -0.41 0.09 0.13 -0.04 4.32 4.09 2ooeA1 THR 53 HG23 -0.05 -0.00 -0.16 -0.04 1.22 0.97 2ooeA1 TYR 54 H -0.45 0.52 -0.14 -0.55 8.29 7.68 2ooeA1 TYR 54 HA -0.30 0.02 0.38 -0.75 4.56 3.91 2ooeA1 TYR 54 HB2 -1.06 0.08 0.08 -0.04 3.06 2.12 2ooeA1 TYR 54 HB3 -0.97 -0.04 -0.04 -0.04 2.98 1.89 2ooeA1 TYR 54 HD2 -0.35 -0.03 -0.11 -0.04 7.15 6.62 2ooeA1 TYR 54 HE2 -0.09 -0.01 -0.09 -0.04 6.85 6.62 2ooeA1 GLU 55 H -0.23 0.61 -0.11 -0.55 8.60 8.33 2ooeA1 GLU 55 HA -0.02 -0.01 0.33 -0.75 4.29 3.84 2ooeA1 GLU 55 HB2 -0.04 0.13 0.11 -0.04 2.09 2.25 2ooeA1 GLU 55 HB3 0.01 -0.01 -0.01 -0.04 1.99 1.94 2ooeA1 GLU 55 HG2 -0.01 0.07 0.09 -0.04 2.34 2.45 2ooeA1 GLU 55 HG3 0.04 -0.02 0.00 -0.04 2.34 2.33 2ooeA1 ARG 56 H -0.04 0.31 -0.45 -0.55 8.46 7.72 2ooeA1 ARG 56 HA 0.04 0.02 0.28 -0.75 4.34 3.92 2ooeA1 ARG 56 HB2 0.04 0.12 0.15 -0.04 1.90 2.18 2ooeA1 ARG 56 HB3 0.22 0.11 0.06 -0.04 1.80 2.15 2ooeA1 ARG 56 HG2 0.36 -0.02 -0.03 -0.04 1.67 1.94 2ooeA1 ARG 56 HG3 0.14 -0.01 0.06 -0.04 1.67 1.82 2ooeA1 ARG 56 HD2 0.03 -0.02 -0.01 -0.04 3.22 3.18 2ooeA1 ARG 56 HD3 0.02 0.03 0.01 -0.04 3.22 3.24 2ooeA1 LEU 57 H -0.09 0.34 -0.39 -0.55 8.37 7.69 2ooeA1 LEU 57 HA -0.86 0.05 0.46 -0.75 4.35 3.23 2ooeA1 LEU 57 HB2 -0.23 0.03 0.08 -0.04 1.64 1.48 2ooeA1 LEU 57 HB3 -0.25 0.11 0.21 -0.04 1.64 1.67 2ooeA1 LEU 57 HG -0.71 -0.03 -0.21 -0.04 1.64 0.64 2ooeA1 LEU 57 HD13 -1.34 -0.00 -0.03 -0.04 0.93 -0.48 2ooeA1 LEU 57 HD23 -0.63 -0.02 -0.03 -0.04 0.89 0.17 2ooeA1 VAL 58 H -0.28 0.59 0.07 -0.55 8.24 8.07 2ooeA1 VAL 58 HA -0.29 0.02 0.21 -0.75 4.13 3.31 2ooeA1 VAL 58 HB -1.17 0.04 -0.08 -0.04 2.12 0.86 2ooeA1 VAL 58 HG13 -1.45 -0.02 -0.11 -0.04 0.97 -0.65 2ooeA1 VAL 58 HG23 -0.37 0.10 -0.01 -0.04 0.95 0.63 2ooeA1 ALA 59 H -0.13 0.59 -0.40 -0.55 8.40 7.91 2ooeA1 ALA 59 HA 0.01 0.01 0.38 -0.75 4.34 3.98 2ooeA1 ALA 59 HB3 -0.01 0.02 0.03 -0.04 1.41 1.40 2ooeA1 GLN 60 H -0.16 0.34 -0.58 -0.55 8.47 7.52 2ooeA1 GLN 60 HA -0.20 0.11 0.75 -0.75 4.36 4.26 2ooeA1 GLN 60 HB2 -0.24 0.03 0.10 -0.04 2.15 2.01 2ooeA1 GLN 60 HB3 -0.52 0.09 0.18 -0.04 2.02 1.74 2ooeA1 GLN 60 HG2 -0.95 -0.07 -0.04 -0.04 2.40 1.31 2ooeA1 GLN 60 HG3 -1.20 -0.02 -0.02 -0.04 2.39 1.11 2ooeA1 GLN 60 HE21 -0.42 -0.14 -0.14 -0.04 6.97 6.22 2ooeA1 GLN 60 HE22 -0.32 0.05 -0.18 -0.04 7.69 7.20 2ooeA1 PHE 61 H 0.05 0.37 -0.02 -0.55 8.34 8.19 2ooeA1 PHE 61 HA 0.12 0.20 0.84 -0.75 4.62 5.03 2ooeA1 PHE 61 HB2 0.26 -0.04 0.16 -0.04 3.15 3.49 2ooeA1 PHE 61 HB3 0.08 -0.15 0.20 -0.04 3.06 3.14 2ooeA1 PHE 61 HD2 -0.23 0.05 0.03 -0.04 7.28 7.09 2ooeA1 PHE 61 HE2 -0.91 0.00 -0.07 -0.04 7.38 6.36 2ooeA1 PHE 61 HZ 0.03 -0.02 -0.09 -0.04 7.32 7.20 2ooeA1 PRO 62 HA 0.45 0.10 0.41 -0.51 4.44 4.89 2ooeA1 PRO 62 HB2 0.17 -0.04 -0.05 -0.04 2.28 2.32 2ooeA1 PRO 62 HB3 0.24 0.03 0.06 -0.04 2.02 2.31 2ooeA1 PRO 62 HG2 0.09 0.03 -0.06 -0.04 2.03 2.04 2ooeA1 PRO 62 HG3 0.10 0.22 -0.09 -0.04 2.03 2.22 2ooeA1 PRO 62 HD2 0.13 -0.00 0.00 -0.04 3.68 3.76 2ooeA1 PRO 62 HD3 0.03 0.27 -0.87 -0.04 3.65 3.05 2ooeA1 SER 63 H 0.21 0.12 -0.34 -0.55 8.46 7.90 2ooeA1 SER 63 HA 0.19 0.21 0.72 -0.75 4.49 4.85 2ooeA1 SER 63 HB2 0.08 -0.05 0.27 -0.04 3.95 4.20 2ooeA1 SER 63 HB3 0.12 0.02 0.05 -0.04 3.93 4.07 2ooeA1 SER 64 H 0.26 0.59 -0.33 -0.55 8.46 8.43 2ooeA1 SER 64 HA -0.04 0.20 0.84 -0.75 4.49 4.74 2ooeA1 SER 64 HB2 -0.16 0.06 0.11 -0.04 3.95 3.92 2ooeA1 SER 64 HB3 -0.07 0.16 0.27 -0.04 3.93 4.24 2ooeA1 GLY 65 H 0.05 0.40 0.08 -0.55 8.43 8.41 2ooeA1 GLY 65 HA2 0.14 0.12 0.30 -0.51 4.01 4.06 2ooeA1 GLY 65 HA3 -0.13 -0.02 0.31 -0.51 4.01 3.66 2ooeA1 ARG 66 H -0.34 0.13 -0.40 -0.55 8.46 7.31 2ooeA1 ARG 66 HA -0.18 0.03 0.41 -0.75 4.34 3.85 2ooeA1 ARG 66 HB2 -0.23 0.01 0.08 -0.04 1.90 1.73 2ooeA1 ARG 66 HB3 -0.42 0.03 0.07 -0.04 1.80 1.43 2ooeA1 ARG 66 HG2 -0.01 -0.01 -0.19 -0.04 1.67 1.42 2ooeA1 ARG 66 HG3 -0.04 -0.02 -0.01 -0.04 1.67 1.56 2ooeA1 ARG 66 HD2 -0.16 0.10 0.03 -0.04 3.22 3.15 2ooeA1 ARG 66 HD3 -0.25 0.02 -0.03 -0.04 3.22 2.91 2ooeA1 PHE 67 H -0.29 0.22 -0.08 -0.55 8.34 7.64 2ooeA1 PHE 67 HA -0.15 0.03 0.43 -0.75 4.62 4.17 2ooeA1 PHE 67 HB2 -0.20 0.18 0.12 -0.04 3.15 3.20 2ooeA1 PHE 67 HB3 -0.27 -0.02 -0.07 -0.04 3.06 2.66 2ooeA1 PHE 67 HD2 -0.21 0.03 -0.06 -0.04 7.28 7.00 2ooeA1 PHE 67 HE2 -1.09 0.03 -0.02 -0.04 7.38 6.26 2ooeA1 PHE 67 HZ -0.49 -0.00 -0.00 -0.04 7.32 6.78 2ooeA1 TRP 68 H 0.18 0.59 -0.09 -0.55 7.97 8.11 2ooeA1 TRP 68 HA 0.01 0.05 0.37 -0.75 4.62 4.29 2ooeA1 TRP 68 HB2 -0.05 0.01 0.05 -0.04 3.23 3.20 2ooeA1 TRP 68 HB3 -0.11 -0.05 -0.07 -0.04 3.23 2.97 2ooeA1 TRP 68 HD1 0.01 -0.07 -0.32 -0.04 7.22 6.80 2ooeA1 TRP 68 HE1 0.04 0.38 0.14 -0.04 10.20 10.72 2ooeA1 TRP 68 HE3 -0.22 -0.12 -0.01 -0.04 7.59 7.19 2ooeA1 TRP 68 HZ2 0.02 0.09 -0.05 -0.04 7.44 7.46 2ooeA1 TRP 68 HZ3 -0.21 -0.07 -0.01 -0.04 7.13 6.80 2ooeA1 TRP 68 HH2 -0.02 0.01 -0.08 -0.04 7.19 7.06 2ooeA1 LYS 69 H 0.10 0.45 -0.45 -0.55 8.42 7.96 2ooeA1 LYS 69 HA 0.01 -0.04 0.34 -0.75 4.32 3.87 2ooeA1 LYS 69 HB2 0.01 0.26 0.19 -0.04 1.87 2.29 2ooeA1 LYS 69 HB3 0.02 0.04 -0.00 -0.04 1.79 1.81 2ooeA1 LYS 69 HG2 0.05 -0.06 -0.01 -0.04 1.46 1.40 2ooeA1 LYS 69 HG3 0.08 -0.02 -0.03 -0.04 1.46 1.45 2ooeA1 LYS 69 HD2 0.12 0.03 -0.24 -0.04 1.69 1.56 2ooeA1 LYS 69 HD3 0.06 -0.04 -0.16 -0.04 1.68 1.50 2ooeA1 LYS 69 HE2 0.08 -0.02 -0.08 -0.04 2.99 2.93 2ooeA1 LYS 69 HE3 0.05 0.05 -0.09 -0.04 2.99 2.95 2ooeA1 LEU 70 H -0.01 0.46 -0.06 -0.55 8.37 8.21 2ooeA1 LEU 70 HA -0.07 -0.00 0.35 -0.75 4.35 3.87 2ooeA1 LEU 70 HB2 -0.21 0.11 0.12 -0.04 1.64 1.62 2ooeA1 LEU 70 HB3 -0.23 -0.01 -0.03 -0.04 1.64 1.32 2ooeA1 LEU 70 HG 0.05 0.16 0.05 -0.04 1.64 1.86 2ooeA1 LEU 70 HD13 0.03 -0.01 -0.04 -0.04 0.93 0.87 2ooeA1 LEU 70 HD23 0.01 -0.02 -0.02 -0.04 0.89 0.83 2ooeA1 TYR 71 H -0.16 0.54 -0.30 -0.55 8.29 7.82 2ooeA1 TYR 71 HA -0.88 -0.01 0.40 -0.75 4.56 3.33 2ooeA1 TYR 71 HB2 -0.44 0.03 0.07 -0.04 3.06 2.68 2ooeA1 TYR 71 HB3 -0.21 0.23 0.16 -0.04 2.98 3.12 2ooeA1 TYR 71 HD2 -0.23 -0.02 -0.05 -0.04 7.15 6.81 2ooeA1 TYR 71 HE2 -0.02 -0.00 -0.04 -0.04 6.85 6.74 2ooeA1 ILE 72 H -0.07 0.63 -0.00 -0.55 8.25 8.25 2ooeA1 ILE 72 HA -0.23 -0.02 0.38 -0.75 4.18 3.56 2ooeA1 ILE 72 HB -0.14 0.05 0.15 -0.04 1.89 1.90 2ooeA1 ILE 72 HG12 -0.53 -0.06 -0.02 -0.04 1.49 0.84 2ooeA1 ILE 72 HG13 -0.18 0.24 0.03 -0.04 1.21 1.26 2ooeA1 ILE 72 HG23 -0.37 -0.03 -0.18 -0.04 0.93 0.31 2ooeA1 ILE 72 HD13 -0.71 -0.02 -0.17 -0.04 0.88 -0.05 2ooeA1 GLU 73 H -0.05 0.93 0.03 -0.55 8.60 8.98 2ooeA1 GLU 73 HA 0.01 -0.03 0.32 -0.75 4.29 3.84 2ooeA1 GLU 73 HB2 -0.01 0.11 0.05 -0.04 2.09 2.20 2ooeA1 GLU 73 HB3 0.02 -0.03 -0.00 -0.04 1.99 1.94 2ooeA1 GLU 73 HG2 0.02 0.04 0.04 -0.04 2.34 2.40 2ooeA1 GLU 73 HG3 0.03 -0.03 -0.06 -0.04 2.34 2.24 2ooeA1 ALA 74 H -0.04 0.45 -0.50 -0.55 8.40 7.76 2ooeA1 ALA 74 HA 0.05 0.03 0.46 -0.75 4.34 4.12 2ooeA1 ALA 74 HB3 0.10 0.05 0.13 -0.04 1.41 1.66 2ooeA1 GLU 75 H 0.07 0.64 0.06 -0.55 8.60 8.82 2ooeA1 GLU 75 HA 0.04 0.00 0.48 -0.75 4.29 4.06 2ooeA1 GLU 75 HB2 -0.03 0.14 0.14 -0.04 2.09 2.30 2ooeA1 GLU 75 HB3 -0.02 -0.10 -0.08 -0.04 1.99 1.75 2ooeA1 GLU 75 HG2 0.30 0.07 0.09 -0.04 2.34 2.75 2ooeA1 GLU 75 HG3 0.11 0.01 -0.03 -0.04 2.34 2.40 2ooeA1 ILE 76 H -0.03 0.87 -0.12 -0.55 8.25 8.42 2ooeA1 ILE 76 HA -0.07 -0.09 0.27 -0.75 4.18 3.52 2ooeA1 ILE 76 HB 0.01 0.08 -0.01 -0.04 1.89 1.92 2ooeA1 ILE 76 HG12 0.17 0.01 -0.06 -0.04 1.49 1.57 2ooeA1 ILE 76 HG13 0.17 -0.04 0.08 -0.04 1.21 1.38 2ooeA1 ILE 76 HG23 0.04 0.04 -0.08 -0.04 0.93 0.89 2ooeA1 ILE 76 HD13 0.31 -0.02 -0.04 -0.04 0.88 1.09 2ooeA1 LYS 77 H 0.00 0.34 -0.60 -0.55 8.42 7.61 2ooeA1 LYS 77 HA 0.02 0.01 0.52 -0.75 4.32 4.12 2ooeA1 LYS 77 HB2 0.02 0.17 0.20 -0.04 1.87 2.23 2ooeA1 LYS 77 HB3 0.02 0.20 0.24 -0.04 1.79 2.20 2ooeA1 LYS 77 HG2 0.02 -0.04 -0.02 -0.04 1.46 1.37 2ooeA1 LYS 77 HG3 0.02 -0.05 0.08 -0.04 1.46 1.47 2ooeA1 LYS 77 HD2 0.03 -0.02 0.01 -0.04 1.69 1.67 2ooeA1 LYS 77 HD3 0.03 0.03 0.05 -0.04 1.68 1.75 2ooeA1 LYS 77 HE2 0.02 -0.02 -0.00 -0.04 2.99 2.94 2ooeA1 LYS 77 HE3 0.02 -0.03 0.01 -0.04 2.99 2.95 2ooeA1 ALA 78 H -0.03 0.33 -0.20 -0.55 8.40 7.96 2ooeA1 ALA 78 HA -0.03 0.09 0.52 -0.75 4.34 4.17 2ooeA1 ALA 78 HB3 -0.02 -0.01 0.21 -0.04 1.41 1.55 2ooeA1 LYS 79 H -0.16 0.34 -0.81 -0.55 8.42 7.23 2ooeA1 LYS 79 HA -0.73 0.04 0.28 -0.75 4.32 3.16 2ooeA1 LYS 79 HB2 -0.08 0.10 -0.44 -0.04 1.87 1.40 2ooeA1 LYS 79 HB3 -0.11 -0.08 0.25 -0.04 1.79 1.81 2ooeA1 LYS 79 HG2 0.03 -0.02 0.01 -0.04 1.46 1.44 2ooeA1 LYS 79 HG3 0.09 -0.05 0.08 -0.04 1.46 1.54 2ooeA1 LYS 79 HD2 -0.08 0.10 0.03 -0.04 1.69 1.71 2ooeA1 LYS 79 HD3 -0.02 0.11 -0.03 -0.04 1.68 1.70 2ooeA1 LYS 79 HE2 0.16 -0.06 0.04 -0.04 2.99 3.09 2ooeA1 LYS 79 HE3 0.07 0.04 0.06 -0.04 2.99 3.12 2ooeA1 ASN 80 H -0.23 0.41 -0.44 -0.55 8.53 7.73 2ooeA1 ASN 80 HA -0.10 0.18 0.74 -0.75 4.76 4.83 2ooeA1 ASN 80 HB2 -0.06 -0.00 0.12 -0.04 2.88 2.90 2ooeA1 ASN 80 HB3 -0.02 -0.13 0.17 -0.04 2.79 2.76 2ooeA1 ASN 80 HD21 -0.01 -0.01 0.05 -0.04 7.03 7.01 2ooeA1 ASN 80 HD22 -0.01 -0.06 0.08 -0.04 7.74 7.71 2ooeA1 TYR 81 H -0.39 0.48 -0.38 -0.55 8.29 7.46 2ooeA1 TYR 81 HA 0.12 0.02 0.25 -0.75 4.56 4.19 2ooeA1 TYR 81 HB2 0.08 0.04 0.06 -0.04 3.06 3.20 2ooeA1 TYR 81 HB3 0.17 0.02 0.07 -0.04 2.98 3.20 2ooeA1 TYR 81 HD2 0.13 -0.01 0.05 -0.04 7.15 7.28 2ooeA1 TYR 81 HE2 0.06 0.03 0.05 -0.04 6.85 6.95 2ooeA1 ASP 82 H 0.10 0.10 -0.46 -0.55 8.40 7.59 2ooeA1 ASP 82 HA 0.11 0.10 0.44 -0.75 4.63 4.53 2ooeA1 ASP 82 HB2 0.05 0.04 0.02 -0.04 2.71 2.79 2ooeA1 ASP 82 HB3 0.08 0.02 0.05 -0.04 2.70 2.81 2ooeA1 LYS 83 H 0.02 0.25 -0.04 -0.55 8.42 8.09 2ooeA1 LYS 83 HA -0.00 0.08 0.44 -0.75 4.32 4.09 2ooeA1 LYS 83 HB2 -0.01 0.08 0.06 -0.04 1.87 1.96 2ooeA1 LYS 83 HB3 0.00 0.01 0.06 -0.04 1.79 1.81 2ooeA1 LYS 83 HG2 0.02 0.01 0.01 -0.04 1.46 1.47 2ooeA1 LYS 83 HG3 0.01 -0.06 0.07 -0.04 1.46 1.45 2ooeA1 LYS 83 HD2 0.03 0.01 0.04 -0.04 1.69 1.72 2ooeA1 LYS 83 HD3 0.05 0.02 0.02 -0.04 1.68 1.73 2ooeA1 LYS 83 HE2 0.03 0.02 0.01 -0.04 2.99 3.00 2ooeA1 LYS 83 HE3 0.03 0.01 0.00 -0.04 2.99 2.99 2ooeA1 VAL 84 H -0.02 0.36 -0.36 -0.55 8.24 7.67 2ooeA1 VAL 84 HA -0.25 0.05 0.42 -0.75 4.13 3.59 2ooeA1 VAL 84 HB 0.01 0.11 0.07 -0.04 2.12 2.28 2ooeA1 VAL 84 HG13 -0.47 -0.00 -0.20 -0.04 0.97 0.25 2ooeA1 VAL 84 HG23 -0.08 0.02 -0.15 -0.04 0.95 0.70 2ooeA1 GLU 85 H 0.01 0.47 -0.06 -0.55 8.60 8.48 2ooeA1 GLU 85 HA 0.07 -0.02 0.32 -0.75 4.29 3.91 2ooeA1 GLU 85 HB2 0.27 0.01 0.11 -0.04 2.09 2.43 2ooeA1 GLU 85 HB3 0.11 0.15 0.13 -0.04 1.99 2.33 2ooeA1 GLU 85 HG2 0.07 0.03 -0.15 -0.04 2.34 2.25 2ooeA1 GLU 85 HG3 0.09 -0.07 -0.04 -0.04 2.34 2.28 2ooeA1 LYS 86 H -0.02 0.26 -0.59 -0.55 8.42 7.51 2ooeA1 LYS 86 HA -0.01 0.03 0.42 -0.75 4.32 4.01 2ooeA1 LYS 86 HB2 -0.02 0.06 0.15 -0.04 1.87 2.02 2ooeA1 LYS 86 HB3 -0.02 0.01 -0.04 -0.04 1.79 1.70 2ooeA1 LYS 86 HG2 0.01 -0.03 -0.01 -0.04 1.46 1.39 2ooeA1 LYS 86 HG3 0.01 -0.00 0.00 -0.04 1.46 1.42 2ooeA1 LYS 86 HD2 0.01 -0.11 -0.13 -0.04 1.69 1.42 2ooeA1 LYS 86 HD3 0.02 0.12 -0.00 -0.04 1.68 1.78 2ooeA1 LYS 86 HE2 0.02 -0.02 -0.04 -0.04 2.99 2.90 2ooeA1 LYS 86 HE3 0.02 -0.01 -0.03 -0.04 2.99 2.92 2ooeA1 LEU 87 H -0.16 0.50 -0.04 -0.55 8.37 8.13 2ooeA1 LEU 87 HA -0.07 0.04 0.37 -0.75 4.35 3.94 2ooeA1 LEU 87 HB2 -0.42 0.11 0.20 -0.04 1.64 1.49 2ooeA1 LEU 87 HB3 -0.26 -0.06 0.00 -0.04 1.64 1.27 2ooeA1 LEU 87 HG -0.30 0.19 0.09 -0.04 1.64 1.57 2ooeA1 LEU 87 HD13 -0.89 -0.03 -0.11 -0.04 0.93 -0.15 2ooeA1 LEU 87 HD23 -0.35 -0.01 -0.02 -0.04 0.89 0.47 2ooeA1 PHE 88 H -0.20 0.49 -0.24 -0.55 8.34 7.84 2ooeA1 PHE 88 HA -0.32 -0.02 0.49 -0.75 4.62 4.01 2ooeA1 PHE 88 HB2 -0.21 0.13 0.12 -0.04 3.15 3.15 2ooeA1 PHE 88 HB3 -0.31 -0.02 -0.03 -0.04 3.06 2.66 2ooeA1 PHE 88 HD2 -0.46 -0.02 -0.09 -0.04 7.28 6.66 2ooeA1 PHE 88 HE2 -0.40 0.02 -0.07 -0.04 7.38 6.89 2ooeA1 PHE 88 HZ -0.01 -0.02 -0.27 -0.04 7.32 6.99 2ooeA1 GLN 89 H -0.02 0.62 -0.04 -0.55 8.47 8.49 2ooeA1 GLN 89 HA -0.10 -0.05 0.36 -0.75 4.36 3.82 2ooeA1 GLN 89 HB2 -0.04 0.16 0.12 -0.04 2.15 2.35 2ooeA1 GLN 89 HB3 -0.05 -0.04 0.07 -0.04 2.02 1.96 2ooeA1 GLN 89 HG2 -0.04 -0.06 0.04 -0.04 2.40 2.30 2ooeA1 GLN 89 HG3 -0.01 0.02 0.09 -0.04 2.39 2.45 2ooeA1 GLN 89 HE21 0.01 -0.04 -0.06 -0.04 6.97 6.85 2ooeA1 GLN 89 HE22 0.01 -0.03 -0.03 -0.04 7.69 7.59 2ooeA1 ARG 90 H -0.18 0.18 -0.97 -0.55 8.46 6.94 2ooeA1 ARG 90 HA -0.12 0.14 0.79 -0.75 4.34 4.39 2ooeA1 ARG 90 HB2 -0.13 0.07 0.13 -0.04 1.90 1.93 2ooeA1 ARG 90 HB3 -0.10 -0.04 -0.01 -0.04 1.80 1.61 2ooeA1 ARG 90 HG2 -0.00 -0.01 -0.04 -0.04 1.67 1.58 2ooeA1 ARG 90 HG3 0.00 0.05 -0.10 -0.04 1.67 1.58 2ooeA1 ARG 90 HD2 0.21 0.02 -0.01 -0.04 3.22 3.40 2ooeA1 ARG 90 HD3 0.10 -0.03 -0.04 -0.04 3.22 3.21 2ooeA1 CYS 91 H -0.47 0.28 0.04 -0.55 8.50 7.80 2ooeA1 CYS 91 HA -0.58 0.19 0.90 -0.75 4.58 4.34 2ooeA1 CYS 91 HB2 -1.52 -0.03 0.00 -0.04 2.97 1.38 2ooeA1 CYS 91 HB3 -3.10 0.05 -0.15 -0.04 2.97 -0.27 2ooeA1 LEU 92 H -0.31 0.60 0.28 -0.55 8.37 8.39 2ooeA1 LEU 92 HA -0.39 0.03 0.30 -0.75 4.35 3.54 2ooeA1 LEU 92 HB2 -0.41 -0.06 0.13 -0.04 1.64 1.26 2ooeA1 LEU 92 HB3 -0.41 0.01 -0.00 -0.04 1.64 1.19 2ooeA1 LEU 92 HG -1.60 0.06 -0.20 -0.04 1.64 -0.14 2ooeA1 LEU 92 HD13 -1.63 -0.00 -0.04 -0.04 0.93 -0.77 2ooeA1 LEU 92 HD23 -1.57 -0.02 -0.08 -0.04 0.89 -0.82 2ooeA1 MET 93 H -0.10 0.12 -0.25 -0.55 8.47 7.70 2ooeA1 MET 93 HA 0.24 0.09 0.46 -0.75 4.52 4.55 2ooeA1 MET 93 HB2 0.00 0.01 -0.02 -0.04 2.15 2.11 2ooeA1 MET 93 HB3 0.08 0.02 -0.08 -0.04 2.03 2.01 2ooeA1 MET 93 HG2 0.07 -0.06 -0.05 -0.04 2.63 2.55 2ooeA1 MET 93 HG3 0.06 0.02 -0.04 -0.04 2.56 2.56 2ooeA1 MET 93 HE3 0.46 0.00 -0.18 -0.04 2.10 2.35 2ooeA1 LYS 94 H -0.07 0.04 -0.31 -0.55 8.42 7.53 2ooeA1 LYS 94 HA 0.04 0.06 0.39 -0.75 4.32 4.05 2ooeA1 LYS 94 HB2 -0.13 0.08 0.05 -0.04 1.87 1.83 2ooeA1 LYS 94 HB3 -0.00 -0.02 0.07 -0.04 1.79 1.79 2ooeA1 LYS 94 HG2 -0.00 -0.05 -0.07 -0.04 1.46 1.30 2ooeA1 LYS 94 HG3 -0.06 -0.03 -0.07 -0.04 1.46 1.25 2ooeA1 LYS 94 HD2 -0.03 0.13 0.04 -0.04 1.69 1.78 2ooeA1 LYS 94 HD3 0.01 -0.04 -0.01 -0.04 1.68 1.61 2ooeA1 LYS 94 HE2 -0.00 -0.06 -0.04 -0.04 2.99 2.86 2ooeA1 LYS 94 HE3 -0.02 0.01 -0.02 -0.04 2.99 2.91 2ooeA1 VAL 95 H 0.02 0.44 -0.41 -0.55 8.24 7.73 2ooeA1 VAL 95 HA 0.08 0.17 0.94 -0.75 4.13 4.56 2ooeA1 VAL 95 HB -0.07 -0.01 0.03 -0.04 2.12 2.03 2ooeA1 VAL 95 HG13 0.16 -0.11 -0.15 -0.04 0.97 0.83 2ooeA1 VAL 95 HG23 0.01 0.01 -0.15 -0.04 0.95 0.77 2ooeA1 LEU 96 H 0.12 0.22 -0.01 -0.55 8.37 8.14 2ooeA1 LEU 96 HA 0.34 0.23 0.62 -0.75 4.35 4.78 2ooeA1 LEU 96 HB2 0.05 -0.02 0.12 -0.04 1.64 1.74 2ooeA1 LEU 96 HB3 0.08 -0.02 0.16 -0.04 1.64 1.83 2ooeA1 LEU 96 HG 0.09 0.02 -0.08 -0.04 1.64 1.63 2ooeA1 LEU 96 HD13 0.15 0.02 0.04 -0.04 0.93 1.10 2ooeA1 LEU 96 HD23 0.04 0.03 -0.14 -0.04 0.89 0.78 2ooeA1 HIS 97 H 0.38 0.32 -0.40 -0.55 8.41 8.17 2ooeA1 HIS 97 HA 0.12 0.17 0.65 -0.75 4.63 4.82 2ooeA1 HIS 97 HB2 0.12 0.09 0.09 -0.04 3.26 3.51 2ooeA1 HIS 97 HB3 0.17 -0.07 0.12 -0.04 3.20 3.38 2ooeA1 HIS 97 HD2 0.06 0.18 0.12 -0.04 6.97 7.27 2ooeA1 HIS 97 HE1 0.07 0.08 -0.02 -0.04 7.75 7.83 2ooeA1 ILE 98 H -0.29 0.23 0.19 -0.55 8.25 7.83 2ooeA1 ILE 98 HA 0.11 0.13 0.26 -0.75 4.18 3.93 2ooeA1 ILE 98 HB -0.07 0.04 0.15 -0.04 1.89 1.97 2ooeA1 ILE 98 HG12 0.07 0.08 -0.04 -0.04 1.49 1.56 2ooeA1 ILE 98 HG13 0.07 -0.07 -0.20 -0.04 1.21 0.97 2ooeA1 ILE 98 HG23 0.02 -0.02 -0.18 -0.04 0.93 0.71 2ooeA1 ILE 98 HD13 0.10 -0.01 -0.07 -0.04 0.88 0.87 2ooeA1 ASP 99 H 0.20 0.09 -0.21 -0.55 8.40 7.92 2ooeA1 ASP 99 HA 0.21 0.12 0.46 -0.75 4.63 4.67 2ooeA1 ASP 99 HB2 0.47 -0.02 -0.01 -0.04 2.71 3.11 2ooeA1 ASP 99 HB3 0.21 0.05 -0.05 -0.04 2.70 2.87 2ooeA1 LEU 100 H 0.53 0.07 -0.19 -0.55 8.37 8.23 2ooeA1 LEU 100 HA 0.17 0.05 0.37 -0.75 4.35 4.18 2ooeA1 LEU 100 HB2 0.14 -0.05 0.12 -0.04 1.64 1.80 2ooeA1 LEU 100 HB3 0.24 0.16 0.11 -0.04 1.64 2.12 2ooeA1 LEU 100 HG -0.11 0.04 -0.15 -0.04 1.64 1.37 2ooeA1 LEU 100 HD13 0.10 -0.02 -0.01 -0.04 0.93 0.97 2ooeA1 LEU 100 HD23 -0.08 0.03 -0.07 -0.04 0.89 0.73 2ooeA1 TRP 101 H 0.48 0.47 -0.32 -0.55 7.97 8.06 2ooeA1 TRP 101 HA 0.08 0.04 0.42 -0.75 4.62 4.40 2ooeA1 TRP 101 HB2 0.03 0.10 0.02 -0.04 3.23 3.35 2ooeA1 TRP 101 HB3 -0.02 -0.05 -0.08 -0.04 3.23 3.05 2ooeA1 TRP 101 HD1 0.04 0.14 -0.02 -0.04 7.22 7.34 2ooeA1 TRP 101 HE1 -0.06 0.33 0.08 -0.04 10.20 10.52 2ooeA1 TRP 101 HE3 -0.16 -0.08 -0.04 -0.04 7.59 7.26 2ooeA1 TRP 101 HZ2 -0.23 0.17 -0.10 -0.04 7.44 7.25 2ooeA1 TRP 101 HZ3 -1.07 -0.04 -0.30 -0.04 7.13 5.68 2ooeA1 TRP 101 HH2 -1.49 -0.01 -0.13 -0.04 7.19 5.51 2ooeA1 LYS 102 H 0.26 0.44 -0.10 -0.55 8.42 8.47 2ooeA1 LYS 102 HA 0.14 0.02 0.44 -0.75 4.32 4.17 2ooeA1 LYS 102 HB2 0.15 0.05 0.10 -0.04 1.87 2.14 2ooeA1 LYS 102 HB3 0.12 -0.04 0.03 -0.04 1.79 1.86 2ooeA1 LYS 102 HG2 0.14 -0.05 0.01 -0.04 1.46 1.51 2ooeA1 LYS 102 HG3 0.15 0.26 0.05 -0.04 1.46 1.88 2ooeA1 LYS 102 HD2 0.11 0.00 -0.03 -0.04 1.69 1.73 2ooeA1 LYS 102 HD3 0.11 -0.06 -0.02 -0.04 1.68 1.66 2ooeA1 LYS 102 HE2 0.12 -0.05 -0.00 -0.04 2.99 3.01 2ooeA1 LYS 102 HE3 0.12 -0.04 0.01 -0.04 2.99 3.03 2ooeA1 CYS 103 H 0.18 0.53 -0.43 -0.55 8.50 8.23 2ooeA1 CYS 103 HA 0.14 0.01 0.43 -0.75 4.58 4.41 2ooeA1 CYS 103 HB2 0.17 0.04 0.07 -0.04 2.97 3.21 2ooeA1 CYS 103 HB3 0.26 0.27 0.21 -0.04 2.97 3.67 2ooeA1 TYR 104 H 0.13 0.58 0.04 -0.55 8.29 8.48 2ooeA1 TYR 104 HA -0.62 -0.03 0.34 -0.75 4.56 3.49 2ooeA1 TYR 104 HB2 -1.01 -0.01 0.09 -0.04 3.06 2.09 2ooeA1 TYR 104 HB3 -0.46 0.13 0.15 -0.04 2.98 2.75 2ooeA1 TYR 104 HD2 -0.92 0.01 -0.07 -0.04 7.15 6.13 2ooeA1 TYR 104 HE2 -0.02 0.00 -0.08 -0.04 6.85 6.71 2ooeA1 LEU 105 H -0.01 0.53 -0.38 -0.55 8.37 7.95 2ooeA1 LEU 105 HA -0.47 0.01 0.36 -0.75 4.35 3.50 2ooeA1 LEU 105 HB2 0.00 0.11 0.09 -0.04 1.64 1.80 2ooeA1 LEU 105 HB3 -0.14 -0.04 -0.02 -0.04 1.64 1.40 2ooeA1 LEU 105 HG 0.10 0.15 -0.02 -0.04 1.64 1.83 2ooeA1 LEU 105 HD13 0.13 -0.02 -0.05 -0.04 0.93 0.94 2ooeA1 LEU 105 HD23 -0.34 0.02 -0.18 -0.04 0.89 0.36 2ooeA1 SER 106 H -0.01 0.45 -0.35 -0.55 8.46 8.00 2ooeA1 SER 106 HA -0.03 0.04 0.54 -0.75 4.49 4.28 2ooeA1 SER 106 HB2 0.08 0.17 0.24 -0.04 3.95 4.40 2ooeA1 SER 106 HB3 0.06 -0.07 -0.02 -0.04 3.93 3.87 2ooeA1 TYR 107 H 0.11 0.62 0.00 -0.55 8.29 8.48 2ooeA1 TYR 107 HA 0.03 -0.03 0.35 -0.75 4.56 4.16 2ooeA1 TYR 107 HB2 0.24 -0.03 0.04 -0.04 3.06 3.27 2ooeA1 TYR 107 HB3 -0.03 0.12 0.11 -0.04 2.98 3.14 2ooeA1 TYR 107 HD2 -0.10 0.05 -0.02 -0.04 7.15 7.04 2ooeA1 TYR 107 HE2 0.14 0.01 -0.02 -0.04 6.85 6.93 2ooeA1 VAL 108 H -0.37 0.34 -0.62 -0.55 8.24 7.04 2ooeA1 VAL 108 HA -0.60 0.02 0.52 -0.75 4.13 3.32 2ooeA1 VAL 108 HB -0.51 0.13 0.05 -0.04 2.12 1.75 2ooeA1 VAL 108 HG13 -0.31 -0.01 -0.19 -0.04 0.97 0.42 2ooeA1 VAL 108 HG23 -0.79 0.05 -0.05 -0.04 0.95 0.12 2ooeA1 ARG 109 H -0.23 0.46 -0.08 -0.55 8.46 8.05 2ooeA1 ARG 109 HA 0.02 -0.02 0.33 -0.75 4.34 3.91 2ooeA1 ARG 109 HB2 -0.10 0.21 0.33 -0.04 1.90 2.31 2ooeA1 ARG 109 HB3 -0.03 -0.02 0.03 -0.04 1.80 1.73 2ooeA1 ARG 109 HG2 0.07 -0.02 0.07 -0.04 1.67 1.75 2ooeA1 ARG 109 HG3 -0.05 -0.01 0.05 -0.04 1.67 1.63 2ooeA1 ARG 109 HD2 0.04 -0.02 -0.01 -0.04 3.22 3.18 2ooeA1 ARG 109 HD3 0.09 -0.02 -0.01 -0.04 3.22 3.24 2ooeA1 GLU 110 H -0.14 0.41 -0.47 -0.55 8.60 7.84 2ooeA1 GLU 110 HA -0.13 0.11 0.63 -0.75 4.29 4.15 2ooeA1 GLU 110 HB2 -0.04 0.02 0.03 -0.04 2.09 2.06 2ooeA1 GLU 110 HB3 -0.09 -0.11 0.16 -0.04 1.99 1.91 2ooeA1 GLU 110 HG2 -0.16 0.02 -0.22 -0.04 2.34 1.94 2ooeA1 GLU 110 HG3 -0.06 0.00 -0.03 -0.04 2.34 2.21 2ooeA1 THR 111 H -0.25 0.19 0.08 -0.55 8.28 7.75 2ooeA1 THR 111 HA -0.37 -0.04 0.39 -0.75 4.39 3.62 2ooeA1 THR 111 HB -0.66 0.53 0.31 -0.04 4.32 4.46 2ooeA1 THR 111 HG23 -0.33 -0.03 -0.15 -0.04 1.22 0.67 2ooeA1 LYS 112 H -0.25 0.50 -0.32 -0.55 8.42 7.79 2ooeA1 LYS 112 HA -0.14 0.10 0.91 -0.75 4.32 4.44 2ooeA1 LYS 112 HB2 0.09 0.12 -0.06 -0.04 1.87 1.98 2ooeA1 LYS 112 HB3 0.02 -0.14 0.09 -0.04 1.79 1.72 2ooeA1 LYS 112 HG2 -0.28 0.00 -0.01 -0.04 1.46 1.14 2ooeA1 LYS 112 HG3 -0.16 -0.02 -0.05 -0.04 1.46 1.19 2ooeA1 LYS 112 HD2 -0.07 -0.05 -0.04 -0.04 1.69 1.48 2ooeA1 LYS 112 HD3 -0.13 0.03 -0.15 -0.04 1.68 1.39 2ooeA1 LYS 112 HE2 -0.06 -0.02 -0.06 -0.04 2.99 2.81 2ooeA1 LYS 112 HE3 -0.20 0.01 -0.08 -0.04 2.99 2.68 2ooeA1 GLY 113 H -0.32 0.76 -0.08 -0.55 8.43 8.25 2ooeA1 GLY 113 HA2 -1.82 -0.03 0.38 -0.51 4.01 2.02 2ooeA1 GLY 113 HA3 -0.53 0.10 0.38 -0.51 4.01 3.46 2ooeA1 LYS 114 H -0.22 0.10 -0.39 -0.55 8.42 7.36 2ooeA1 LYS 114 HA -0.14 0.23 0.93 -0.75 4.32 4.58 2ooeA1 LYS 114 HB2 -0.10 -0.00 -0.00 -0.04 1.87 1.72 2ooeA1 LYS 114 HB3 -0.07 -0.04 0.10 -0.04 1.79 1.74 2ooeA1 LYS 114 HG2 -0.11 0.05 -0.13 -0.04 1.46 1.23 2ooeA1 LYS 114 HG3 -0.14 0.00 -0.11 -0.04 1.46 1.17 2ooeA1 LYS 114 HD2 -0.07 -0.01 -0.02 -0.04 1.69 1.55 2ooeA1 LYS 114 HD3 -0.06 -0.02 -0.01 -0.04 1.68 1.56 2ooeA1 LYS 114 HE2 -0.07 0.01 -0.04 -0.04 2.99 2.86 2ooeA1 LYS 114 HE3 -0.07 0.01 -0.04 -0.04 2.99 2.84 2ooeA1 LEU 115 H -0.10 0.47 -0.04 -0.55 8.37 8.16 2ooeA1 LEU 115 HA -0.02 0.09 0.47 -0.75 4.35 4.14 2ooeA1 LEU 115 HB2 0.04 0.05 0.13 -0.04 1.64 1.82 2ooeA1 LEU 115 HB3 0.01 -0.14 0.09 -0.04 1.64 1.56 2ooeA1 LEU 115 HG -0.06 0.07 0.17 -0.04 1.64 1.77 2ooeA1 LEU 115 HD13 -0.03 -0.01 0.01 -0.04 0.93 0.87 2ooeA1 LEU 115 HD23 -0.03 0.00 0.03 -0.04 0.89 0.85 2ooeA1 PRO 116 HA 0.04 0.16 0.52 -0.51 4.44 4.65 2ooeA1 PRO 116 HB2 0.02 0.01 0.05 -0.04 2.28 2.32 2ooeA1 PRO 116 HB3 0.01 0.07 0.15 -0.04 2.02 2.21 2ooeA1 PRO 116 HG2 0.01 -0.03 0.09 -0.04 2.03 2.06 2ooeA1 PRO 116 HG3 0.01 0.06 0.10 -0.04 2.03 2.15 2ooeA1 PRO 116 HD2 0.00 0.05 0.27 -0.04 3.68 3.96 2ooeA1 PRO 116 HD3 -0.00 0.21 0.23 -0.04 3.65 4.05 2ooeA1 SER 117 H 0.04 0.12 -0.25 -0.55 8.46 7.81 2ooeA1 SER 117 HA 0.04 0.16 0.61 -0.75 4.49 4.54 2ooeA1 SER 117 HB2 0.01 -0.03 0.09 -0.04 3.95 3.98 2ooeA1 SER 117 HB3 0.02 0.04 0.03 -0.04 3.93 3.97 2ooeA1 TYR 118 H 0.16 0.46 -0.60 -0.55 8.29 7.76 2ooeA1 TYR 118 HA -0.05 -0.01 0.25 -0.75 4.56 3.99 2ooeA1 TYR 118 HB2 -0.03 0.26 0.04 -0.04 3.06 3.29 2ooeA1 TYR 118 HB3 0.02 -0.03 0.04 -0.04 2.98 2.97 2ooeA1 TYR 118 HD2 -0.02 -0.05 -0.17 -0.04 7.15 6.87 2ooeA1 TYR 118 HE2 -0.03 0.01 -0.11 -0.04 6.85 6.69 2ooeA1 LYS 119 H 0.12 0.22 -0.15 -0.55 8.42 8.06 2ooeA1 LYS 119 HA 0.14 0.07 0.34 -0.75 4.32 4.12 2ooeA1 LYS 119 HB2 0.06 -0.07 0.06 -0.04 1.87 1.89 2ooeA1 LYS 119 HB3 0.09 0.05 0.02 -0.04 1.79 1.90 2ooeA1 LYS 119 HG2 0.12 0.05 0.05 -0.04 1.46 1.64 2ooeA1 LYS 119 HG3 0.15 -0.02 0.07 -0.04 1.46 1.63 2ooeA1 LYS 119 HD2 0.05 0.01 0.04 -0.04 1.69 1.75 2ooeA1 LYS 119 HD3 0.03 0.01 0.04 -0.04 1.68 1.71 2ooeA1 LYS 119 HE2 0.07 -0.00 0.05 -0.04 2.99 3.06 2ooeA1 LYS 119 HE3 0.09 0.06 0.05 -0.04 2.99 3.14 2ooeA1 GLU 120 H 0.03 0.12 -0.22 -0.55 8.60 7.98 2ooeA1 GLU 120 HA 0.04 0.01 0.33 -0.75 4.29 3.92 2ooeA1 GLU 120 HB2 0.02 -0.04 0.10 -0.04 2.09 2.13 2ooeA1 GLU 120 HB3 0.00 0.18 0.12 -0.04 1.99 2.25 2ooeA1 GLU 120 HG2 0.00 -0.01 -0.04 -0.04 2.34 2.26 2ooeA1 GLU 120 HG3 0.00 -0.01 -0.10 -0.04 2.34 2.18 2ooeA1 LYS 121 H -0.06 0.54 -0.15 -0.55 8.42 8.20 2ooeA1 LYS 121 HA -0.08 0.01 0.48 -0.75 4.32 3.98 2ooeA1 LYS 121 HB2 -0.04 0.06 -0.02 -0.04 1.87 1.83 2ooeA1 LYS 121 HB3 -0.10 0.05 -0.04 -0.04 1.79 1.66 2ooeA1 LYS 121 HG2 -0.09 -0.02 -0.04 -0.04 1.46 1.27 2ooeA1 LYS 121 HG3 -0.05 -0.02 -0.01 -0.04 1.46 1.34 2ooeA1 LYS 121 HD2 -0.05 0.01 -0.07 -0.04 1.69 1.54 2ooeA1 LYS 121 HD3 -0.04 -0.01 -0.05 -0.04 1.68 1.54 2ooeA1 LYS 121 HE2 -0.00 -0.01 -0.20 -0.04 2.99 2.74 2ooeA1 LYS 121 HE3 -0.02 -0.02 -0.06 -0.04 2.99 2.85 2ooeA1 MET 122 H -0.36 1.06 0.04 -0.55 8.47 8.66 2ooeA1 MET 122 HA -0.52 -0.03 0.34 -0.75 4.52 3.55 2ooeA1 MET 122 HB2 -1.25 0.03 -0.02 -0.04 2.15 0.87 2ooeA1 MET 122 HB3 -0.94 0.09 0.08 -0.04 2.03 1.22 2ooeA1 MET 122 HG2 -1.54 0.02 -0.08 -0.04 2.63 0.99 2ooeA1 MET 122 HG3 -1.19 -0.06 -0.18 -0.04 2.56 1.08 2ooeA1 MET 122 HE3 -0.84 -0.01 0.01 -0.04 2.10 1.22 2ooeA1 ALA 123 H -0.11 0.61 -0.14 -0.55 8.40 8.22 2ooeA1 ALA 123 HA 0.08 0.02 0.44 -0.75 4.34 4.13 2ooeA1 ALA 123 HB3 0.29 0.03 0.04 -0.04 1.41 1.72 2ooeA1 GLN 124 H -0.07 0.39 -0.27 -0.55 8.47 7.97 2ooeA1 GLN 124 HA -0.00 0.01 0.41 -0.75 4.36 4.02 2ooeA1 GLN 124 HB2 -0.03 -0.00 0.12 -0.04 2.15 2.20 2ooeA1 GLN 124 HB3 -0.07 0.25 0.23 -0.04 2.02 2.38 2ooeA1 GLN 124 HG2 -0.03 -0.02 -0.49 -0.04 2.40 1.82 2ooeA1 GLN 124 HG3 -0.05 -0.04 -0.05 -0.04 2.39 2.21 2ooeA1 GLN 124 HE21 -0.07 -0.02 -0.04 -0.04 6.97 6.80 2ooeA1 GLN 124 HE22 -0.09 -0.01 -0.04 -0.04 7.69 7.50 2ooeA1 ALA 125 H -0.19 0.47 -0.22 -0.55 8.40 7.92 2ooeA1 ALA 125 HA 0.19 0.01 0.37 -0.75 4.34 4.15 2ooeA1 ALA 125 HB3 -0.30 0.05 0.04 -0.04 1.41 1.16 2ooeA1 TYR 126 H -0.38 0.44 -0.22 -0.55 8.29 7.59 2ooeA1 TYR 126 HA -0.37 -0.01 0.44 -0.75 4.56 3.87 2ooeA1 TYR 126 HB2 -1.06 0.14 0.19 -0.04 3.06 2.29 2ooeA1 TYR 126 HB3 -1.82 -0.04 -0.01 -0.04 2.98 1.07 2ooeA1 TYR 126 HD2 -0.42 -0.04 -0.04 -0.04 7.15 6.61 2ooeA1 TYR 126 HE2 -0.36 -0.04 -0.07 -0.04 6.85 6.35 2ooeA1 ASP 127 H -0.16 0.59 -0.20 -0.55 8.40 8.09 2ooeA1 ASP 127 HA -0.08 0.00 0.36 -0.75 4.63 4.17 2ooeA1 ASP 127 HB2 0.02 0.13 0.21 -0.04 2.71 3.03 2ooeA1 ASP 127 HB3 0.04 -0.04 -0.04 -0.04 2.70 2.62 2ooeA1 PHE 128 H 0.16 0.84 0.01 -0.55 8.34 8.79 2ooeA1 PHE 128 HA 0.01 -0.00 0.33 -0.75 4.62 4.20 2ooeA1 PHE 128 HB2 0.03 0.02 0.07 -0.04 3.15 3.23 2ooeA1 PHE 128 HB3 0.09 0.03 0.14 -0.04 3.06 3.28 2ooeA1 PHE 128 HD2 0.11 -0.01 -0.03 -0.04 7.28 7.30 2ooeA1 PHE 128 HE2 -0.19 -0.01 -0.09 -0.04 7.38 7.05 2ooeA1 PHE 128 HZ 0.05 -0.01 -0.12 -0.04 7.32 7.20 2ooeA1 ALA 129 H 0.03 0.64 -0.41 -0.55 8.40 8.11 2ooeA1 ALA 129 HA -0.32 0.01 0.41 -0.75 4.34 3.69 2ooeA1 ALA 129 HB3 0.05 0.01 0.07 -0.04 1.41 1.50 2ooeA1 LEU 130 H -0.28 0.78 0.08 -0.55 8.37 8.40 2ooeA1 LEU 130 HA -0.49 -0.11 0.41 -0.75 4.35 3.40 2ooeA1 LEU 130 HB2 -0.38 0.14 0.11 -0.04 1.64 1.47 2ooeA1 LEU 130 HB3 -0.68 -0.01 0.01 -0.04 1.64 0.92 2ooeA1 LEU 130 HG -0.60 0.08 0.02 -0.04 1.64 1.10 2ooeA1 LEU 130 HD13 -0.91 -0.00 -0.06 -0.04 0.93 -0.08 2ooeA1 LEU 130 HD23 -1.80 -0.04 -0.04 -0.04 0.89 -1.02 2ooeA1 ASP 131 H -0.23 0.47 -0.60 -0.55 8.40 7.50 2ooeA1 ASP 131 HA -0.14 0.06 0.46 -0.75 4.63 4.26 2ooeA1 ASP 131 HB2 -0.05 0.29 0.05 -0.04 2.71 2.95 2ooeA1 ASP 131 HB3 -0.06 0.04 -0.03 -0.04 2.70 2.61 2ooeA1 LYS 132 H -0.53 0.36 -0.09 -0.55 8.42 7.61 2ooeA1 LYS 132 HA -0.28 0.20 0.97 -0.75 4.32 4.46 2ooeA1 LYS 132 HB2 -1.20 0.03 0.09 -0.04 1.87 0.74 2ooeA1 LYS 132 HB3 -0.44 -0.01 0.05 -0.04 1.79 1.35 2ooeA1 LYS 132 HG2 -0.13 0.00 -0.16 -0.04 1.46 1.13 2ooeA1 LYS 132 HG3 -0.32 0.14 -0.02 -0.04 1.46 1.22 2ooeA1 LYS 132 HD2 0.23 -0.06 -0.05 -0.04 1.69 1.77 2ooeA1 LYS 132 HD3 0.04 -0.01 -0.05 -0.04 1.68 1.62 2ooeA1 LYS 132 HE2 -0.01 0.03 -0.00 -0.04 2.99 2.97 2ooeA1 LYS 132 HE3 0.03 -0.03 -0.02 -0.04 2.99 2.94 2ooeA1 ILE 133 H -0.63 0.54 0.15 -0.55 8.25 7.76 2ooeA1 ILE 133 HA -0.32 0.23 0.96 -0.75 4.18 4.29 2ooeA1 ILE 133 HB -1.35 0.04 -0.11 -0.04 1.89 0.42 2ooeA1 ILE 133 HG12 -0.18 -0.08 -0.16 -0.04 1.49 1.03 2ooeA1 ILE 133 HG13 -0.06 -0.12 0.06 -0.04 1.21 1.05 2ooeA1 ILE 133 HG23 -0.30 0.02 -0.28 -0.04 0.93 0.34 2ooeA1 ILE 133 HD13 -0.24 0.09 -0.15 -0.04 0.88 0.54 2ooeA1 GLY 134 H -0.35 0.25 0.05 -0.55 8.43 7.84 2ooeA1 GLY 134 HA2 -0.06 -0.07 0.31 -0.51 4.01 3.68 2ooeA1 GLY 134 HA3 -0.14 0.18 0.39 -0.51 4.01 3.93 2ooeA1 MET 135 H -0.33 0.07 -0.72 -0.55 8.47 6.95 2ooeA1 MET 135 HA 0.02 0.13 0.43 -0.75 4.52 4.34 2ooeA1 MET 135 HB2 -0.53 0.01 -0.08 -0.04 2.15 1.51 2ooeA1 MET 135 HB3 -1.38 -0.00 -0.13 -0.04 2.03 0.47 2ooeA1 MET 135 HG2 -0.09 -0.02 0.04 -0.04 2.63 2.52 2ooeA1 MET 135 HG3 -0.08 0.03 0.03 -0.04 2.56 2.51 2ooeA1 MET 135 HE3 -0.12 -0.02 -0.25 -0.04 2.10 1.67 2ooeA1 GLU 136 H 0.05 0.70 -0.20 -0.55 8.60 8.61 2ooeA1 GLU 136 HA 0.62 0.02 0.45 -0.75 4.29 4.63 2ooeA1 GLU 136 HB2 0.21 0.37 0.21 -0.04 2.09 2.83 2ooeA1 GLU 136 HB3 0.17 -0.20 -0.03 -0.04 1.99 1.88 2ooeA1 GLU 136 HG2 0.26 0.11 0.11 -0.04 2.34 2.79 2ooeA1 GLU 136 HG3 0.11 -0.06 0.05 -0.04 2.34 2.40 2ooeA1 ILE 137 H 0.23 0.15 0.20 -0.55 8.25 8.28 2ooeA1 ILE 137 HA 0.32 0.28 0.43 -0.75 4.18 4.46 2ooeA1 ILE 137 HB -0.75 0.10 0.13 -0.04 1.89 1.33 2ooeA1 ILE 137 HG12 -0.17 -0.11 0.04 -0.04 1.49 1.21 2ooeA1 ILE 137 HG13 -0.07 -0.02 0.16 -0.04 1.21 1.24 2ooeA1 ILE 137 HG23 -0.20 -0.01 -0.10 -0.04 0.93 0.59 2ooeA1 ILE 137 HD13 -0.77 0.02 -0.15 -0.04 0.88 -0.07 2ooeA1 MET 138 H 0.09 0.11 -0.35 -0.55 8.47 7.77 2ooeA1 MET 138 HA 0.08 0.13 0.88 -0.75 4.52 4.86 2ooeA1 MET 138 HB2 -0.00 0.03 0.00 -0.04 2.15 2.14 2ooeA1 MET 138 HB3 0.05 -0.01 0.06 -0.04 2.03 2.09 2ooeA1 MET 138 HG2 0.02 0.04 0.03 -0.04 2.63 2.67 2ooeA1 MET 138 HG3 0.06 -0.05 0.12 -0.04 2.56 2.66 2ooeA1 MET 138 HE3 0.03 -0.01 0.02 -0.04 2.10 2.10 2ooeA1 SER 139 H 0.21 0.50 -0.33 -0.55 8.46 8.30 2ooeA1 SER 139 HA 0.17 0.10 0.56 -0.75 4.49 4.57 2ooeA1 SER 139 HB2 0.17 -0.12 0.02 -0.04 3.95 3.98 2ooeA1 SER 139 HB3 0.18 0.04 -0.02 -0.04 3.93 4.09 2ooeA1 TYR 140 H 0.33 0.12 -0.23 -0.55 8.29 7.95 2ooeA1 TYR 140 HA 0.24 0.11 0.25 -0.75 4.56 4.41 2ooeA1 TYR 140 HB2 0.08 -0.10 0.03 -0.04 3.06 3.03 2ooeA1 TYR 140 HB3 0.10 0.01 0.00 -0.04 2.98 3.06 2ooeA1 TYR 140 HD2 0.05 0.02 -0.16 -0.04 7.15 7.02 2ooeA1 TYR 140 HE2 0.07 0.03 -0.17 -0.04 6.85 6.73 2ooeA1 GLN 141 H 0.22 0.15 -0.25 -0.55 8.47 8.05 2ooeA1 GLN 141 HA -0.14 0.01 0.35 -0.75 4.36 3.82 2ooeA1 GLN 141 HB2 0.15 0.01 0.06 -0.04 2.15 2.34 2ooeA1 GLN 141 HB3 0.10 0.05 -0.00 -0.04 2.02 2.13 2ooeA1 GLN 141 HG2 0.09 0.05 -0.03 -0.04 2.40 2.47 2ooeA1 GLN 141 HG3 0.06 -0.01 -0.09 -0.04 2.39 2.31 2ooeA1 GLN 141 HE21 0.06 0.03 -0.03 -0.04 6.97 6.99 2ooeA1 GLN 141 HE22 0.04 0.00 -0.01 -0.04 7.69 7.68 2ooeA1 ILE 142 H 0.08 0.42 -0.08 -0.55 8.25 8.12 2ooeA1 ILE 142 HA 0.01 0.02 0.36 -0.75 4.18 3.82 2ooeA1 ILE 142 HB -0.23 0.07 0.02 -0.04 1.89 1.71 2ooeA1 ILE 142 HG12 0.06 0.06 0.10 -0.04 1.49 1.67 2ooeA1 ILE 142 HG13 0.00 0.01 -0.04 -0.04 1.21 1.14 2ooeA1 ILE 142 HG23 -0.10 -0.01 -0.09 -0.04 0.93 0.70 2ooeA1 ILE 142 HD13 0.09 -0.01 -0.04 -0.04 0.88 0.88 2ooeA1 TRP 143 H 0.16 0.33 -0.23 -0.55 7.97 7.68 2ooeA1 TRP 143 HA -0.06 0.05 0.37 -0.75 4.62 4.22 2ooeA1 TRP 143 HB2 -0.21 0.18 0.12 -0.04 3.23 3.28 2ooeA1 TRP 143 HB3 -0.12 -0.02 -0.04 -0.04 3.23 3.02 2ooeA1 TRP 143 HD1 -0.01 0.00 -0.37 -0.04 7.22 6.80 2ooeA1 TRP 143 HE1 0.01 0.23 -0.01 -0.04 10.20 10.39 2ooeA1 TRP 143 HE3 -0.05 -0.03 0.00 -0.04 7.59 7.48 2ooeA1 TRP 143 HZ2 -0.03 0.10 -0.09 -0.04 7.44 7.39 2ooeA1 TRP 143 HZ3 -0.01 -0.01 -0.13 -0.04 7.13 6.93 2ooeA1 TRP 143 HH2 -0.01 0.05 -0.16 -0.04 7.19 7.02 2ooeA1 VAL 144 H -0.12 0.37 -0.14 -0.55 8.24 7.80 2ooeA1 VAL 144 HA -0.12 0.02 0.41 -0.75 4.13 3.69 2ooeA1 VAL 144 HB -0.15 0.08 0.14 -0.04 2.12 2.15 2ooeA1 VAL 144 HG13 -0.02 -0.01 -0.13 -0.04 0.97 0.77 2ooeA1 VAL 144 HG23 -0.52 0.04 -0.06 -0.04 0.95 0.36 2ooeA1 ASP 145 H -0.07 0.97 0.08 -0.55 8.40 8.83 2ooeA1 ASP 145 HA -0.01 -0.03 0.34 -0.75 4.63 4.18 2ooeA1 ASP 145 HB2 -0.04 0.08 0.14 -0.04 2.71 2.85 2ooeA1 ASP 145 HB3 0.09 -0.02 -0.02 -0.04 2.70 2.70 2ooeA1 TYR 146 H -0.26 0.53 -0.47 -0.55 8.29 7.53 2ooeA1 TYR 146 HA -1.08 0.01 0.48 -0.75 4.56 3.22 2ooeA1 TYR 146 HB2 -0.73 0.08 0.11 -0.04 3.06 2.48 2ooeA1 TYR 146 HB3 -0.34 0.14 0.17 -0.04 2.98 2.91 2ooeA1 TYR 146 HD2 -0.19 -0.01 0.03 -0.04 7.15 6.94 2ooeA1 TYR 146 HE2 0.11 -0.01 -0.05 -0.04 6.85 6.85 2ooeA1 ILE 147 H -0.17 0.62 0.08 -0.55 8.25 8.23 2ooeA1 ILE 147 HA -0.40 -0.01 0.41 -0.75 4.18 3.43 2ooeA1 ILE 147 HB -0.28 0.04 0.17 -0.04 1.89 1.78 2ooeA1 ILE 147 HG12 -0.60 -0.06 0.03 -0.04 1.49 0.82 2ooeA1 ILE 147 HG13 -0.28 0.25 0.10 -0.04 1.21 1.25 2ooeA1 ILE 147 HG23 -0.63 -0.02 -0.11 -0.04 0.93 0.14 2ooeA1 ILE 147 HD13 -0.89 -0.02 -0.16 -0.04 0.88 -0.24 2ooeA1 ASN 148 H -0.10 0.82 -0.12 -0.55 8.53 8.59 2ooeA1 ASN 148 HA -0.06 0.00 0.40 -0.75 4.76 4.35 2ooeA1 ASN 148 HB2 0.00 0.10 0.04 -0.04 2.88 2.98 2ooeA1 ASN 148 HB3 0.03 -0.01 -0.07 -0.04 2.79 2.69 2ooeA1 ASN 148 HD21 0.02 -0.04 -0.07 -0.04 7.03 6.90 2ooeA1 ASN 148 HD22 0.01 -0.01 -0.14 -0.04 7.74 7.56 2ooeA1 PHE 149 H 0.10 0.48 -0.26 -0.55 8.34 8.11 2ooeA1 PHE 149 HA 0.04 -0.02 0.39 -0.75 4.62 4.27 2ooeA1 PHE 149 HB2 0.14 0.02 0.15 -0.04 3.15 3.42 2ooeA1 PHE 149 HB3 0.03 0.18 0.27 -0.04 3.06 3.50 2ooeA1 PHE 149 HD2 0.21 0.02 -0.02 -0.04 7.28 7.45 2ooeA1 PHE 149 HE2 -0.03 -0.03 -0.06 -0.04 7.38 7.22 2ooeA1 PHE 149 HZ -0.15 -0.05 0.07 -0.04 7.32 7.14 2ooeA1 LEU 150 H -0.08 0.62 -0.16 -0.55 8.37 8.21 2ooeA1 LEU 150 HA -0.44 -0.03 0.36 -0.75 4.35 3.48 2ooeA1 LEU 150 HB2 -0.30 0.08 0.16 -0.04 1.64 1.54 2ooeA1 LEU 150 HB3 -0.24 -0.05 -0.08 -0.04 1.64 1.23 2ooeA1 LEU 150 HG -0.14 0.10 0.01 -0.04 1.64 1.56 2ooeA1 LEU 150 HD13 -0.59 -0.04 -0.18 -0.04 0.93 0.09 2ooeA1 LEU 150 HD23 -0.11 -0.02 -0.04 -0.04 0.89 0.68 2ooeA1 LYS 151 H -0.18 0.71 0.04 -0.55 8.42 8.44 2ooeA1 LYS 151 HA -0.07 -0.05 0.38 -0.75 4.32 3.83 2ooeA1 LYS 151 HB2 -0.07 0.05 0.09 -0.04 1.87 1.91 2ooeA1 LYS 151 HB3 -0.02 -0.06 0.01 -0.04 1.79 1.69 2ooeA1 LYS 151 HG2 -0.18 -0.09 0.02 -0.04 1.46 1.17 2ooeA1 LYS 151 HG3 -0.21 0.37 0.09 -0.04 1.46 1.66 2ooeA1 LYS 151 HD2 -0.08 -0.04 -0.10 -0.04 1.69 1.44 2ooeA1 LYS 151 HD3 -0.00 -0.01 -0.04 -0.04 1.68 1.59 2ooeA1 LYS 151 HE2 -0.40 -0.01 -0.05 -0.04 2.99 2.49 2ooeA1 LYS 151 HE3 -0.34 -0.03 -0.09 -0.04 2.99 2.49 2ooeA1 GLY 152 H -0.11 0.47 -0.44 -0.55 8.43 7.79 2ooeA1 GLY 152 HA2 -0.04 -0.09 0.31 -0.51 4.01 3.68 2ooeA1 GLY 152 HA3 -0.07 0.00 0.27 -0.51 4.01 3.71 2ooeA1 VAL 153 H -0.29 0.33 -0.14 -0.55 8.24 7.59 2ooeA1 VAL 153 HA -0.15 -0.14 0.35 -0.75 4.13 3.44 2ooeA1 VAL 153 HB -0.16 0.08 0.04 -0.04 2.12 2.03 2ooeA1 VAL 153 HG13 -0.09 -0.00 -0.09 -0.04 0.97 0.74 2ooeA1 VAL 153 HG23 -0.48 0.00 0.08 -0.04 0.95 0.51 2ooeA1 GLU 154 H -0.04 -0.01 0.20 -0.55 8.60 8.21 2ooeA1 GLU 154 HA -0.02 0.15 0.56 -0.75 4.29 4.23 2ooeA1 GLU 154 HB2 -0.00 0.05 0.13 -0.04 2.09 2.23 2ooeA1 GLU 154 HB3 -0.00 -0.06 0.13 -0.04 1.99 2.02 2ooeA1 GLU 154 HG2 -0.00 -0.06 -0.32 -0.04 2.34 1.92 2ooeA1 GLU 154 HG3 -0.00 0.03 0.00 -0.04 2.34 2.33 2ooeA1 ALA 155 H -0.01 0.27 0.15 -0.55 8.40 8.26 2ooeA1 ALA 155 HA 0.00 0.09 0.71 -0.75 4.34 4.39 2ooeA1 ALA 155 HB3 -0.01 -0.01 -0.26 -0.04 1.41 1.09 2ooeA1 VAL 156 H 0.01 0.22 0.06 -0.55 8.24 7.98 2ooeA1 VAL 156 HA 0.01 0.22 0.98 -0.75 4.13 4.58 2ooeA1 VAL 156 HB 0.01 0.01 0.00 -0.04 2.12 2.11 2ooeA1 VAL 156 HG13 0.00 0.02 -0.08 -0.04 0.97 0.87 2ooeA1 VAL 156 HG23 0.01 -0.00 0.10 -0.04 0.95 1.02 2ooeA1 GLY 157 H 0.01 0.32 0.19 -0.55 8.43 8.40 2ooeA1 GLY 157 HA2 0.02 0.10 0.35 -0.51 4.01 3.96 2ooeA1 GLY 157 HA3 0.03 0.12 1.02 -0.51 4.01 4.67 2ooeA1 SER 158 H 0.06 0.01 0.23 -0.55 8.46 8.22 2ooeA1 SER 158 HA 0.01 0.25 0.93 -0.75 4.49 4.92 2ooeA1 SER 158 HB2 0.05 -0.01 0.09 -0.04 3.95 4.03 2ooeA1 SER 158 HB3 0.02 0.07 0.04 -0.04 3.93 4.02 2ooeA1 TYR 159 H 0.16 0.12 0.21 -0.55 8.29 8.22 2ooeA1 TYR 159 HA -0.00 0.14 0.42 -0.75 4.56 4.37 2ooeA1 TYR 159 HB2 -0.00 0.03 0.14 -0.04 3.06 3.19 2ooeA1 TYR 159 HB3 -0.00 -0.00 0.09 -0.04 2.98 3.03 2ooeA1 TYR 159 HD2 -0.00 -0.01 -0.11 -0.04 7.15 6.99 2ooeA1 TYR 159 HE2 0.00 0.03 -0.01 -0.04 6.85 6.82 2ooeA1 ALA 160 H 0.10 -0.12 -0.49 -0.55 8.40 7.34 2ooeA1 ALA 160 HA 0.06 0.20 0.45 -0.75 4.34 4.29 2ooeA1 ALA 160 HB3 0.05 0.02 -0.16 -0.04 1.41 1.27 2ooeA1 GLU 161 H 0.00 0.04 -0.36 -0.55 8.60 7.73 2ooeA1 GLU 161 HA -0.02 0.16 0.34 -0.75 4.29 4.02 2ooeA1 GLU 161 HB2 -0.02 0.01 0.08 -0.04 2.09 2.13 2ooeA1 GLU 161 HB3 -0.02 0.07 0.04 -0.04 1.99 2.04 2ooeA1 GLU 161 HG2 -0.00 0.09 -0.07 -0.04 2.34 2.32 2ooeA1 GLU 161 HG3 0.00 -0.10 -0.23 -0.04 2.34 1.97 2ooeA1 ASN 162 H -0.05 0.67 -0.12 -0.55 8.53 8.49 2ooeA1 ASN 162 HA -0.05 0.04 0.40 -0.75 4.76 4.39 2ooeA1 ASN 162 HB2 -0.06 0.06 0.11 -0.04 2.88 2.95 2ooeA1 ASN 162 HB3 -0.14 0.03 -0.01 -0.04 2.79 2.63 2ooeA1 ASN 162 HD21 -0.04 0.01 0.01 -0.04 7.03 6.96 2ooeA1 ASN 162 HD22 -0.05 0.01 0.02 -0.04 7.74 7.69 2ooeA1 GLN 163 H -0.12 0.23 -0.79 -0.55 8.47 7.24 2ooeA1 GLN 163 HA -0.15 0.01 0.46 -0.75 4.36 3.93 2ooeA1 GLN 163 HB2 -0.28 0.18 0.18 -0.04 2.15 2.19 2ooeA1 GLN 163 HB3 -0.08 0.22 0.15 -0.04 2.02 2.27 2ooeA1 GLN 163 HG2 -0.05 0.00 -0.12 -0.04 2.40 2.20 2ooeA1 GLN 163 HG3 -0.10 -0.06 0.06 -0.04 2.39 2.25 2ooeA1 GLN 163 HE21 0.06 -0.04 -0.02 -0.04 6.97 6.93 2ooeA1 GLN 163 HE22 0.01 0.02 -0.05 -0.04 7.69 7.63 2ooeA1 ARG 164 H -0.05 0.36 -0.26 -0.55 8.46 7.96 2ooeA1 ARG 164 HA -0.05 0.05 0.39 -0.75 4.34 3.97 2ooeA1 ARG 164 HB2 -0.03 0.01 0.09 -0.04 1.90 1.93 2ooeA1 ARG 164 HB3 -0.01 0.18 0.21 -0.04 1.80 2.14 2ooeA1 ARG 164 HG2 -0.01 -0.17 -0.21 -0.04 1.67 1.23 2ooeA1 ARG 164 HG3 -0.07 0.14 -0.03 -0.04 1.67 1.66 2ooeA1 ARG 164 HD2 0.03 -0.12 -0.00 -0.04 3.22 3.09 2ooeA1 ARG 164 HD3 -0.02 0.17 0.08 -0.04 3.22 3.42 2ooeA1 ILE 165 H -0.00 0.46 -0.10 -0.55 8.25 8.05 2ooeA1 ILE 165 HA 0.19 0.01 0.36 -0.75 4.18 3.99 2ooeA1 ILE 165 HB -0.01 0.14 0.13 -0.04 1.89 2.11 2ooeA1 ILE 165 HG12 0.02 0.00 0.01 -0.04 1.49 1.48 2ooeA1 ILE 165 HG13 -0.00 0.25 0.06 -0.04 1.21 1.48 2ooeA1 ILE 165 HG23 0.02 -0.01 -0.11 -0.04 0.93 0.79 2ooeA1 ILE 165 HD13 -0.07 -0.02 -0.03 -0.04 0.88 0.72 2ooeA1 THR 166 H -0.02 0.51 -0.23 -0.55 8.28 7.99 2ooeA1 THR 166 HA 0.01 -0.01 0.33 -0.75 4.39 3.96 2ooeA1 THR 166 HB -0.05 0.16 0.09 -0.04 4.32 4.48 2ooeA1 THR 166 HG23 -0.02 -0.02 -0.06 -0.04 1.22 1.08 2ooeA1 ALA 167 H -0.03 0.35 -0.56 -0.55 8.40 7.61 2ooeA1 ALA 167 HA -0.06 0.01 0.44 -0.75 4.34 3.98 2ooeA1 ALA 167 HB3 -0.08 0.04 0.10 -0.04 1.41 1.43 2ooeA1 VAL 168 H -0.05 0.77 0.11 -0.55 8.24 8.52 2ooeA1 VAL 168 HA -0.31 0.01 0.48 -0.75 4.13 3.56 2ooeA1 VAL 168 HB -0.04 0.01 0.09 -0.04 2.12 2.14 2ooeA1 VAL 168 HG13 -0.67 -0.02 -0.06 -0.04 0.97 0.18 2ooeA1 VAL 168 HG23 -0.17 0.07 -0.05 -0.04 0.95 0.76 2ooeA1 ARG 169 H 0.10 0.88 -0.03 -0.55 8.46 8.85 2ooeA1 ARG 169 HA 0.26 -0.06 0.28 -0.75 4.34 4.07 2ooeA1 ARG 169 HB2 0.14 0.41 0.09 -0.04 1.90 2.50 2ooeA1 ARG 169 HB3 0.08 0.03 -0.06 -0.04 1.80 1.81 2ooeA1 ARG 169 HG2 0.27 -0.05 0.02 -0.04 1.67 1.86 2ooeA1 ARG 169 HG3 0.27 -0.03 -0.02 -0.04 1.67 1.84 2ooeA1 ARG 169 HD2 0.08 0.03 -0.07 -0.04 3.22 3.22 2ooeA1 ARG 169 HD3 0.13 -0.03 -0.05 -0.04 3.22 3.23 2ooeA1 ARG 170 H -0.02 0.35 -0.65 -0.55 8.46 7.58 2ooeA1 ARG 170 HA -0.00 -0.01 0.34 -0.75 4.34 3.91 2ooeA1 ARG 170 HB2 -0.01 0.24 0.16 -0.04 1.90 2.24 2ooeA1 ARG 170 HB3 -0.05 0.13 0.10 -0.04 1.80 1.94 2ooeA1 ARG 170 HG2 0.02 -0.05 -0.12 -0.04 1.67 1.49 2ooeA1 ARG 170 HG3 0.02 -0.04 0.00 -0.04 1.67 1.61 2ooeA1 ARG 170 HD2 0.02 -0.01 -0.06 -0.04 3.22 3.13 2ooeA1 ARG 170 HD3 0.02 -0.05 -0.04 -0.04 3.22 3.11 2ooeA1 VAL 171 H -0.16 0.43 -0.05 -0.55 8.24 7.91 2ooeA1 VAL 171 HA 0.08 0.05 0.42 -0.75 4.13 3.93 2ooeA1 VAL 171 HB -0.35 0.05 0.10 -0.04 2.12 1.87 2ooeA1 VAL 171 HG13 0.12 -0.02 -0.03 -0.04 0.97 1.01 2ooeA1 VAL 171 HG23 -0.53 0.05 0.00 -0.04 0.95 0.43 2ooeA1 TYR 172 H -0.17 0.59 -0.15 -0.55 8.29 8.01 2ooeA1 TYR 172 HA -0.17 -0.02 0.38 -0.75 4.56 4.00 2ooeA1 TYR 172 HB2 -0.31 0.16 0.10 -0.04 3.06 2.97 2ooeA1 TYR 172 HB3 -0.97 -0.02 -0.07 -0.04 2.98 1.88 2ooeA1 TYR 172 HD2 -0.11 -0.02 -0.08 -0.04 7.15 6.90 2ooeA1 TYR 172 HE2 -0.31 -0.01 -0.08 -0.04 6.85 6.41 2ooeA1 GLN 173 H -0.15 0.65 -0.07 -0.55 8.47 8.36 2ooeA1 GLN 173 HA -0.17 -0.01 0.31 -0.75 4.36 3.74 2ooeA1 GLN 173 HB2 -0.04 0.15 0.13 -0.04 2.15 2.35 2ooeA1 GLN 173 HB3 -0.00 -0.04 -0.08 -0.04 2.02 1.86 2ooeA1 GLN 173 HG2 -0.00 -0.04 0.01 -0.04 2.40 2.33 2ooeA1 GLN 173 HG3 -0.25 -0.05 0.04 -0.04 2.39 2.09 2ooeA1 GLN 173 HE21 0.10 -0.06 -0.08 -0.04 6.97 6.89 2ooeA1 GLN 173 HE22 0.17 -0.03 -0.03 -0.04 7.69 7.76 2ooeA1 ARG 174 H 0.03 0.43 -0.38 -0.55 8.46 7.99 2ooeA1 ARG 174 HA 0.05 0.03 0.39 -0.75 4.34 4.07 2ooeA1 ARG 174 HB2 0.12 0.05 0.06 -0.04 1.90 2.09 2ooeA1 ARG 174 HB3 0.32 0.04 0.08 -0.04 1.80 2.19 2ooeA1 ARG 174 HG2 0.38 -0.00 -0.14 -0.04 1.67 1.87 2ooeA1 ARG 174 HG3 0.15 -0.04 -0.01 -0.04 1.67 1.73 2ooeA1 ARG 174 HD2 0.14 -0.02 -0.07 -0.04 3.22 3.22 2ooeA1 ARG 174 HD3 0.29 -0.02 -0.08 -0.04 3.22 3.37 2ooeA1 GLY 175 H -0.05 0.53 -0.21 -0.55 8.43 8.16 2ooeA1 GLY 175 HA2 -1.44 0.04 0.50 -0.51 4.01 2.60 2ooeA1 GLY 175 HA3 -0.61 0.00 0.34 -0.51 4.01 3.23 2ooeA1 CYS 176 H -0.07 0.80 0.03 -0.55 8.50 8.71 2ooeA1 CYS 176 HA 0.10 0.01 0.35 -0.75 4.58 4.29 2ooeA1 CYS 176 HB2 0.17 0.09 0.06 -0.04 2.97 3.26 2ooeA1 CYS 176 HB3 0.46 -0.08 0.20 -0.04 2.97 3.51 2ooeA1 VAL 177 H -0.10 0.27 -0.86 -0.55 8.24 7.00 2ooeA1 VAL 177 HA 0.03 0.05 0.53 -0.75 4.13 3.98 2ooeA1 VAL 177 HB 0.00 0.15 -0.15 -0.04 2.12 2.08 2ooeA1 VAL 177 HG13 0.00 -0.03 0.03 -0.04 0.97 0.93 2ooeA1 VAL 177 HG23 0.06 -0.03 -0.25 -0.04 0.95 0.69 2ooeA1 ASN 178 H -0.16 0.59 0.24 -0.55 8.53 8.66 2ooeA1 ASN 178 HA -0.05 0.17 0.88 -0.75 4.76 5.00 2ooeA1 ASN 178 HB2 -0.15 0.10 0.10 -0.04 2.88 2.89 2ooeA1 ASN 178 HB3 -0.54 -0.02 0.29 -0.04 2.79 2.48 2ooeA1 ASN 178 HD21 0.10 -0.07 -0.15 -0.04 7.03 6.87 2ooeA1 ASN 178 HD22 0.07 -0.02 -0.05 -0.04 7.74 7.71 2ooeA1 PRO 179 HA 0.05 -0.04 0.36 -0.51 4.44 4.30 2ooeA1 PRO 179 HB2 -0.03 0.03 0.12 -0.04 2.28 2.35 2ooeA1 PRO 179 HB3 0.10 -0.03 -0.15 -0.04 2.02 1.89 2ooeA1 PRO 179 HG2 -0.04 -0.00 0.08 -0.04 2.03 2.03 2ooeA1 PRO 179 HG3 -0.01 0.04 0.06 -0.04 2.03 2.08 2ooeA1 PRO 179 HD2 -0.03 0.09 0.22 -0.04 3.68 3.91 2ooeA1 PRO 179 HD3 -0.03 0.48 0.35 -0.04 3.65 4.40 2ooeA1 MET 180 H 0.07 0.19 0.30 -0.55 8.47 8.49 2ooeA1 MET 180 HA 0.21 0.15 0.64 -0.75 4.52 4.76 2ooeA1 MET 180 HB2 0.14 -0.26 0.05 -0.04 2.15 2.05 2ooeA1 MET 180 HB3 0.18 0.27 -0.01 -0.04 2.03 2.44 2ooeA1 MET 180 HG2 -0.05 0.48 -0.33 -0.04 2.63 2.68 2ooeA1 MET 180 HG3 0.00 -0.19 -0.01 -0.04 2.56 2.32 2ooeA1 MET 180 HE3 -0.25 -0.01 -0.12 -0.04 2.10 1.68 2ooeA1 ILE 181 H 0.05 0.55 0.30 -0.55 8.25 8.60 2ooeA1 ILE 181 HA -0.02 0.11 0.39 -0.75 4.18 3.91 2ooeA1 ILE 181 HB 0.01 -0.08 0.24 -0.04 1.89 2.02 2ooeA1 ILE 181 HG12 -0.05 0.16 0.13 -0.04 1.49 1.69 2ooeA1 ILE 181 HG13 -0.06 -0.01 0.07 -0.04 1.21 1.17 2ooeA1 ILE 181 HG23 -0.07 -0.00 -0.10 -0.04 0.93 0.72 2ooeA1 ILE 181 HD13 -0.09 0.01 0.07 -0.04 0.88 0.82 2ooeA1 ASN 182 H -0.07 0.09 -0.06 -0.55 8.53 7.94 2ooeA1 ASN 182 HA -0.16 0.24 0.91 -0.75 4.76 5.00 2ooeA1 ASN 182 HB2 -0.96 -0.01 0.09 -0.04 2.88 1.96 2ooeA1 ASN 182 HB3 -1.31 -0.04 0.15 -0.04 2.79 1.56 2ooeA1 ASN 182 HD21 -0.16 0.05 -0.01 -0.04 7.03 6.87 2ooeA1 ASN 182 HD22 -0.19 0.01 -0.20 -0.04 7.74 7.31 2ooeA1 ILE 183 H 0.02 0.68 -0.48 -0.55 8.25 7.92 2ooeA1 ILE 183 HA 0.10 0.05 0.24 -0.75 4.18 3.82 2ooeA1 ILE 183 HB 0.05 0.07 0.20 -0.04 1.89 2.17 2ooeA1 ILE 183 HG12 0.07 0.01 -0.21 -0.04 1.49 1.31 2ooeA1 ILE 183 HG13 0.32 -0.10 -0.01 -0.04 1.21 1.39 2ooeA1 ILE 183 HG23 0.05 0.01 -0.07 -0.04 0.93 0.88 2ooeA1 ILE 183 HD13 0.01 0.07 -0.05 -0.04 0.88 0.87 2ooeA1 GLU 184 H 0.05 0.06 -0.75 -0.55 8.60 7.42 2ooeA1 GLU 184 HA 0.33 0.14 0.61 -0.75 4.29 4.61 2ooeA1 GLU 184 HB2 0.05 -0.02 0.08 -0.04 2.09 2.16 2ooeA1 GLU 184 HB3 0.14 0.01 0.02 -0.04 1.99 2.11 2ooeA1 GLU 184 HG2 0.05 0.03 0.01 -0.04 2.34 2.40 2ooeA1 GLU 184 HG3 0.10 0.02 -0.05 -0.04 2.34 2.37 2ooeA1 GLN 185 H -0.01 0.18 0.08 -0.55 8.47 8.18 2ooeA1 GLN 185 HA 0.07 0.03 0.39 -0.75 4.36 4.10 2ooeA1 GLN 185 HB2 -0.07 -0.01 0.15 -0.04 2.15 2.17 2ooeA1 GLN 185 HB3 -0.15 0.06 0.05 -0.04 2.02 1.94 2ooeA1 GLN 185 HG2 0.05 0.01 0.02 -0.04 2.40 2.44 2ooeA1 GLN 185 HG3 0.17 0.00 0.04 -0.04 2.39 2.56 2ooeA1 GLN 185 HE21 0.03 0.02 0.00 -0.04 6.97 6.98 2ooeA1 GLN 185 HE22 0.01 0.00 0.03 -0.04 7.69 7.68 2ooeA1 LEU 186 H 0.19 0.26 -0.78 -0.55 8.37 7.50 2ooeA1 LEU 186 HA 0.27 0.09 0.57 -0.75 4.35 4.54 2ooeA1 LEU 186 HB2 0.33 -0.03 -0.10 -0.04 1.64 1.81 2ooeA1 LEU 186 HB3 0.16 0.15 -0.03 -0.04 1.64 1.88 2ooeA1 LEU 186 HG 0.22 -0.01 -0.14 -0.04 1.64 1.68 2ooeA1 LEU 186 HD13 0.16 -0.01 -0.08 -0.04 0.93 0.96 2ooeA1 LEU 186 HD23 -0.15 0.02 -0.15 -0.04 0.89 0.58 2ooeA1 TRP 187 H 0.22 0.37 -0.00 -0.55 7.97 8.01 2ooeA1 TRP 187 HA -0.21 0.04 0.39 -0.75 4.62 4.09 2ooeA1 TRP 187 HB2 -0.98 0.10 0.20 -0.04 3.23 2.51 2ooeA1 TRP 187 HB3 -0.32 0.04 0.20 -0.04 3.23 3.11 2ooeA1 TRP 187 HD1 -0.13 -0.00 -0.16 -0.04 7.22 6.88 2ooeA1 TRP 187 HE1 -0.06 -0.02 -0.03 -0.04 10.20 10.05 2ooeA1 TRP 187 HE3 -0.46 0.04 0.08 -0.04 7.59 7.21 2ooeA1 TRP 187 HZ2 -0.01 -0.03 -0.05 -0.04 7.44 7.32 2ooeA1 TRP 187 HZ3 0.02 0.11 0.01 -0.04 7.13 7.23 2ooeA1 TRP 187 HH2 0.07 0.04 -0.21 -0.04 7.19 7.05 2ooeA1 ARG 188 H 0.10 0.61 -0.24 -0.55 8.46 8.38 2ooeA1 ARG 188 HA -0.05 0.02 0.38 -0.75 4.34 3.94 2ooeA1 ARG 188 HB2 0.08 0.03 0.04 -0.04 1.90 2.01 2ooeA1 ARG 188 HB3 0.05 0.03 0.11 -0.04 1.80 1.94 2ooeA1 ARG 188 HG2 -0.00 0.01 -0.20 -0.04 1.67 1.44 2ooeA1 ARG 188 HG3 0.00 -0.03 -0.04 -0.04 1.67 1.57 2ooeA1 ARG 188 HD2 0.04 -0.01 -0.04 -0.04 3.22 3.18 2ooeA1 ARG 188 HD3 0.04 0.00 -0.01 -0.04 3.22 3.21 2ooeA1 ASP 189 H -0.01 0.38 -0.15 -0.55 8.40 8.07 2ooeA1 ASP 189 HA -0.07 -0.02 0.30 -0.75 4.63 4.08 2ooeA1 ASP 189 HB2 0.09 0.13 0.09 -0.04 2.71 2.98 2ooeA1 ASP 189 HB3 0.09 -0.02 -0.02 -0.04 2.70 2.71 2ooeA1 TYR 190 H -0.37 0.46 -0.51 -0.55 8.29 7.32 2ooeA1 TYR 190 HA -1.49 0.01 0.39 -0.75 4.56 2.72 2ooeA1 TYR 190 HB2 -0.82 0.04 0.03 -0.04 3.06 2.26 2ooeA1 TYR 190 HB3 -0.92 0.11 0.15 -0.04 2.98 2.28 2ooeA1 TYR 190 HD2 -0.89 0.01 -0.01 -0.04 7.15 6.22 2ooeA1 TYR 190 HE2 -0.08 0.02 -0.05 -0.04 6.85 6.69 2ooeA1 ASN 191 H -0.70 0.61 -0.02 -0.55 8.53 7.88 2ooeA1 ASN 191 HA -0.72 -0.05 0.36 -0.75 4.76 3.59 2ooeA1 ASN 191 HB2 -0.37 0.29 0.26 -0.04 2.88 3.02 2ooeA1 ASN 191 HB3 -0.29 -0.09 0.01 -0.04 2.79 2.39 2ooeA1 ASN 191 HD21 -2.58 -0.12 0.03 -0.04 7.03 4.33 2ooeA1 ASN 191 HD22 -1.26 1.01 0.31 -0.04 7.74 7.75 2ooeA1 LYS 192 H -0.23 0.48 -0.20 -0.55 8.42 7.91 2ooeA1 LYS 192 HA -0.13 -0.03 0.29 -0.75 4.32 3.70 2ooeA1 LYS 192 HB2 -0.06 0.09 -0.00 -0.04 1.87 1.85 2ooeA1 LYS 192 HB3 -0.04 -0.02 0.03 -0.04 1.79 1.71 2ooeA1 LYS 192 HG2 -0.07 -0.04 -0.04 -0.04 1.46 1.27 2ooeA1 LYS 192 HG3 -0.10 0.15 -0.06 -0.04 1.46 1.41 2ooeA1 LYS 192 HD2 -0.02 -0.01 -0.10 -0.04 1.69 1.53 2ooeA1 LYS 192 HD3 -0.02 -0.00 -0.04 -0.04 1.68 1.57 2ooeA1 LYS 192 HE2 -0.02 -0.01 -0.05 -0.04 2.99 2.86 2ooeA1 LYS 192 HE3 -0.02 -0.02 -0.09 -0.04 2.99 2.82 2ooeA1 TYR 193 H -0.15 0.58 -0.57 -0.55 8.29 7.60 2ooeA1 TYR 193 HA -0.07 0.06 0.55 -0.75 4.56 4.36 2ooeA1 TYR 193 HB2 -0.03 0.09 0.09 -0.04 3.06 3.17 2ooeA1 TYR 193 HB3 -0.16 0.12 0.20 -0.04 2.98 3.09 2ooeA1 TYR 193 HD2 0.12 0.01 -0.06 -0.04 7.15 7.19 2ooeA1 TYR 193 HE2 0.06 -0.00 -0.05 -0.04 6.85 6.82 2ooeA1 GLU 194 H -0.33 0.50 0.06 -0.55 8.60 8.29 2ooeA1 GLU 194 HA -0.29 0.04 0.38 -0.75 4.29 3.66 2ooeA1 GLU 194 HB2 -0.40 0.08 0.18 -0.04 2.09 1.91 2ooeA1 GLU 194 HB3 -0.25 -0.08 -0.01 -0.04 1.99 1.61 2ooeA1 GLU 194 HG2 -0.75 0.09 -0.00 -0.04 2.34 1.63 2ooeA1 GLU 194 HG3 -0.61 0.00 -0.07 -0.04 2.34 1.62 2ooeA1 GLU 195 H -0.24 0.61 -0.00 -0.55 8.60 8.42 2ooeA1 GLU 195 HA -0.12 -0.07 0.13 -0.75 4.29 3.47 2ooeA1 GLU 195 HB2 -0.14 0.09 -0.02 -0.04 2.09 1.99 2ooeA1 GLU 195 HB3 -0.09 -0.04 -0.04 -0.04 1.99 1.78 2ooeA1 GLU 195 HG2 -0.10 -0.05 0.01 -0.04 2.34 2.16 2ooeA1 GLU 195 HG3 -0.18 0.05 0.02 -0.04 2.34 2.19 2ooeA1 GLY 196 H -0.18 0.11 -1.28 -0.55 8.43 6.53 2ooeA1 GLY 196 HA2 -0.10 -0.03 0.37 -0.51 4.01 3.75 2ooeA1 GLY 196 HA3 -0.13 0.10 0.30 -0.51 4.01 3.76 2ooeA1 ILE 197 H -0.24 0.72 -0.08 -0.55 8.25 8.10 2ooeA1 ILE 197 HA -0.15 0.18 1.01 -0.75 4.18 4.47 2ooeA1 ILE 197 HB -0.17 -0.10 0.12 -0.04 1.89 1.70 2ooeA1 ILE 197 HG12 -0.34 0.25 0.26 -0.04 1.49 1.62 2ooeA1 ILE 197 HG13 -0.19 -0.08 -0.09 -0.04 1.21 0.81 2ooeA1 ILE 197 HG23 -0.33 0.01 -0.08 -0.04 0.93 0.50 2ooeA1 ILE 197 HD13 -0.32 -0.04 -0.05 -0.04 0.88 0.44 2ooeA1 ASN 198 H -0.15 0.44 -0.21 -0.55 8.53 8.06 2ooeA1 ASN 198 HA -0.15 0.02 0.37 -0.75 4.76 4.25 2ooeA1 ASN 198 HB2 -0.11 0.36 0.06 -0.04 2.88 3.14 2ooeA1 ASN 198 HB3 -0.10 -0.05 -0.03 -0.04 2.79 2.57 2ooeA1 ASN 198 HD21 -0.09 -0.03 0.05 -0.04 7.03 6.92 2ooeA1 ASN 198 HD22 -0.10 0.17 0.09 -0.04 7.74 7.85 2ooeA1 ILE 199 H -0.13 0.24 0.11 -0.55 8.25 7.93 2ooeA1 ILE 199 HA -0.06 0.07 0.39 -0.75 4.18 3.83 2ooeA1 ILE 199 HB 0.07 0.01 -0.03 -0.04 1.89 1.90 2ooeA1 ILE 199 HG12 -0.15 -0.13 0.12 -0.04 1.49 1.29 2ooeA1 ILE 199 HG13 -0.03 0.04 0.05 -0.04 1.21 1.23 2ooeA1 ILE 199 HG23 -0.03 0.05 0.08 -0.04 0.93 0.99 2ooeA1 ILE 199 HD13 -0.09 0.01 0.08 -0.04 0.88 0.83 2ooeA1 HIS 200 H -0.04 0.05 -0.29 -0.55 8.41 7.59 2ooeA1 HIS 200 HA -0.04 0.14 0.49 -0.75 4.63 4.47 2ooeA1 HIS 200 HB2 -0.04 -0.12 0.15 -0.04 3.26 3.22 2ooeA1 HIS 200 HB3 -0.03 0.06 0.01 -0.04 3.20 3.21 2ooeA1 HIS 200 HD2 -0.03 -0.05 -0.14 -0.04 6.97 6.70 2ooeA1 HIS 200 HE1 -0.02 0.03 0.01 -0.04 7.75 7.73 2ooeA1 LEU 201 H 0.06 0.13 0.00 -0.55 8.37 8.01 2ooeA1 LEU 201 HA 0.01 0.05 0.35 -0.75 4.35 4.01 2ooeA1 LEU 201 HB2 -0.03 0.09 -0.00 -0.04 1.64 1.65 2ooeA1 LEU 201 HB3 -0.01 0.03 0.05 -0.04 1.64 1.67 2ooeA1 LEU 201 HG 0.03 -0.10 0.08 -0.04 1.64 1.62 2ooeA1 LEU 201 HD13 -0.02 0.03 0.01 -0.04 0.93 0.91 2ooeA1 LEU 201 HD23 0.02 0.01 0.00 -0.04 0.89 0.88 2ooeA1 ALA 202 H -0.04 0.34 -0.68 -0.55 8.40 7.48 2ooeA1 ALA 202 HA -0.12 -0.00 0.30 -0.75 4.34 3.76 2ooeA1 ALA 202 HB3 -0.13 0.08 -0.15 -0.04 1.41 1.18 2ooeA1 LYS 203 H -0.03 0.47 -0.14 -0.55 8.42 8.17 2ooeA1 LYS 203 HA -0.03 0.01 0.37 -0.75 4.32 3.92 2ooeA1 LYS 203 HB2 -0.01 0.13 0.18 -0.04 1.87 2.12 2ooeA1 LYS 203 HB3 -0.01 -0.04 0.01 -0.04 1.79 1.72 2ooeA1 LYS 203 HG2 -0.01 0.16 0.19 -0.04 1.46 1.75 2ooeA1 LYS 203 HG3 -0.01 -0.02 0.11 -0.04 1.46 1.50 2ooeA1 LYS 203 HD2 -0.01 -0.02 0.05 -0.04 1.69 1.67 2ooeA1 LYS 203 HD3 -0.02 -0.04 0.07 -0.04 1.68 1.65 2ooeA1 LYS 203 HE2 -0.01 -0.02 0.02 -0.04 2.99 2.94 2ooeA1 LYS 203 HE3 -0.01 0.03 0.05 -0.04 2.99 3.01 2ooeA1 LYS 204 H -0.01 0.22 -0.26 -0.55 8.42 7.82 2ooeA1 LYS 204 HA 0.02 0.04 0.53 -0.75 4.32 4.16 2ooeA1 LYS 204 HB2 0.01 -0.02 0.06 -0.04 1.87 1.87 2ooeA1 LYS 204 HB3 0.00 0.09 0.07 -0.04 1.79 1.91 2ooeA1 LYS 204 HG2 0.02 -0.03 -0.04 -0.04 1.46 1.38 2ooeA1 LYS 204 HG3 0.02 -0.01 0.00 -0.04 1.46 1.43 2ooeA1 LYS 204 HD2 0.01 -0.02 -0.03 -0.04 1.69 1.61 2ooeA1 LYS 204 HD3 0.01 0.03 -0.10 -0.04 1.68 1.58 2ooeA1 LYS 204 HE2 0.02 0.00 -0.06 -0.04 2.99 2.92 2ooeA1 LYS 204 HE3 0.02 -0.00 -0.03 -0.04 2.99 2.93 2ooeA1 MET 205 H -0.02 0.56 -0.02 -0.55 8.47 8.44 2ooeA1 MET 205 HA 0.02 0.01 0.40 -0.75 4.52 4.20 2ooeA1 MET 205 HB2 -0.09 0.05 0.21 -0.04 2.15 2.28 2ooeA1 MET 205 HB3 -0.07 -0.03 -0.05 -0.04 2.03 1.84 2ooeA1 MET 205 HG2 -0.02 0.06 -0.01 -0.04 2.63 2.63 2ooeA1 MET 205 HG3 -0.04 -0.06 -0.10 -0.04 2.56 2.31 2ooeA1 MET 205 HE3 0.06 -0.00 -0.04 -0.04 2.10 2.08 2ooeA1 ILE 206 H -0.06 0.59 -0.26 -0.55 8.25 7.97 2ooeA1 ILE 206 HA -0.01 0.08 0.53 -0.75 4.18 4.03 2ooeA1 ILE 206 HB -0.05 0.12 0.13 -0.04 1.89 2.05 2ooeA1 ILE 206 HG12 -0.66 -0.03 -0.03 -0.04 1.49 0.73 2ooeA1 ILE 206 HG13 -0.33 0.03 -0.01 -0.04 1.21 0.87 2ooeA1 ILE 206 HG23 0.07 -0.02 -0.13 -0.04 0.93 0.81 2ooeA1 ILE 206 HD13 -0.29 -0.00 -0.02 -0.04 0.88 0.52 2ooeA1 GLU 207 H 0.06 0.62 0.12 -0.55 8.60 8.85 2ooeA1 GLU 207 HA 0.14 -0.03 0.42 -0.75 4.29 4.07 2ooeA1 GLU 207 HB2 0.05 0.06 0.19 -0.04 2.09 2.35 2ooeA1 GLU 207 HB3 0.05 0.02 0.17 -0.04 1.99 2.18 2ooeA1 GLU 207 HG2 0.05 -0.02 -0.01 -0.04 2.34 2.33 2ooeA1 GLU 207 HG3 0.05 -0.04 0.09 -0.04 2.34 2.40 2ooeA1 ASP 208 H 0.09 0.47 -0.55 -0.55 8.40 7.86 2ooeA1 ASP 208 HA 0.07 0.02 0.51 -0.75 4.63 4.48 2ooeA1 ASP 208 HB2 0.08 0.21 0.09 -0.04 2.71 3.05 2ooeA1 ASP 208 HB3 0.07 -0.05 0.00 -0.04 2.70 2.69 2ooeA1 ARG 209 H 0.24 0.50 -0.25 -0.55 8.46 8.41 2ooeA1 ARG 209 HA 0.13 0.16 0.99 -0.75 4.34 4.87 2ooeA1 ARG 209 HB2 0.29 -0.02 0.22 -0.04 1.90 2.34 2ooeA1 ARG 209 HB3 0.18 0.03 -0.00 -0.04 1.80 1.96 2ooeA1 ARG 209 HG2 0.26 0.19 0.12 -0.04 1.67 2.20 2ooeA1 ARG 209 HG3 0.59 0.01 0.04 -0.04 1.67 2.28 2ooeA1 ARG 209 HD2 0.42 0.01 -0.00 -0.04 3.22 3.61 2ooeA1 ARG 209 HD3 0.32 -0.03 0.00 -0.04 3.22 3.47 2ooeA1 SER 210 H 0.17 0.33 -0.10 -0.55 8.46 8.31 2ooeA1 SER 210 HA -0.27 0.13 0.67 -0.75 4.49 4.26 2ooeA1 SER 210 HB2 0.25 0.15 0.10 -0.04 3.95 4.41 2ooeA1 SER 210 HB3 0.06 0.03 0.09 -0.04 3.93 4.07 2ooeA1 ARG 211 H 0.02 0.23 -0.02 -0.55 8.46 8.14 2ooeA1 ARG 211 HA -0.05 0.06 0.41 -0.75 4.34 4.00 2ooeA1 ARG 211 HB2 -0.00 0.03 0.12 -0.04 1.90 2.01 2ooeA1 ARG 211 HB3 0.00 0.05 0.03 -0.04 1.80 1.84 2ooeA1 ARG 211 HG2 -0.03 0.01 -0.04 -0.04 1.67 1.57 2ooeA1 ARG 211 HG3 -0.03 -0.01 0.09 -0.04 1.67 1.68 2ooeA1 ARG 211 HD2 -0.00 0.02 -0.01 -0.04 3.22 3.19 2ooeA1 ARG 211 HD3 -0.01 0.01 0.01 -0.04 3.22 3.19 2ooeA1 ASP 212 H 0.00 0.11 -0.48 -0.55 8.40 7.50 2ooeA1 ASP 212 HA -0.04 0.10 0.59 -0.75 4.63 4.53 2ooeA1 ASP 212 HB2 0.05 0.09 0.07 -0.04 2.71 2.87 2ooeA1 ASP 212 HB3 0.02 0.08 -0.01 -0.04 2.70 2.75 2ooeA1 TYR 213 H -0.05 0.22 -0.09 -0.55 8.29 7.82 2ooeA1 TYR 213 HA -0.18 0.26 0.55 -0.75 4.56 4.43 2ooeA1 TYR 213 HB2 -0.55 0.17 0.24 -0.04 3.06 2.88 2ooeA1 TYR 213 HB3 -0.99 -0.03 0.31 -0.04 2.98 2.23 2ooeA1 TYR 213 HD2 -0.81 0.08 0.03 -0.04 7.15 6.40 2ooeA1 TYR 213 HE2 -0.36 0.04 -0.05 -0.04 6.85 6.44 2ooeA1 MET 214 H -0.29 0.74 -0.03 -0.55 8.47 8.34 2ooeA1 MET 214 HA -0.61 -0.00 0.40 -0.75 4.52 3.56 2ooeA1 MET 214 HB2 -0.17 0.08 0.15 -0.04 2.15 2.16 2ooeA1 MET 214 HB3 -0.19 -0.02 -0.01 -0.04 2.03 1.77 2ooeA1 MET 214 HG2 -0.19 0.17 0.04 -0.04 2.63 2.60 2ooeA1 MET 214 HG3 -0.13 -0.03 0.00 -0.04 2.56 2.36 2ooeA1 MET 214 HE3 -0.09 -0.00 -0.01 -0.04 2.10 1.96 2ooeA1 ASN 215 H -0.16 0.40 -0.20 -0.55 8.53 8.02 2ooeA1 ASN 215 HA -0.10 -0.03 0.38 -0.75 4.76 4.25 2ooeA1 ASN 215 HB2 -0.07 0.05 0.21 -0.04 2.88 3.03 2ooeA1 ASN 215 HB3 -0.08 0.19 0.19 -0.04 2.79 3.04 2ooeA1 ASN 215 HD21 -0.05 -0.05 -0.08 -0.04 7.03 6.81 2ooeA1 ASN 215 HD22 -0.05 0.04 0.01 -0.04 7.74 7.71 2ooeA1 ALA 216 H -0.18 0.33 -0.66 -0.55 8.40 7.34 2ooeA1 ALA 216 HA -0.07 0.03 0.63 -0.75 4.34 4.19 2ooeA1 ALA 216 HB3 -0.05 0.04 -0.06 -0.04 1.41 1.30 2ooeA1 ARG 217 H -0.43 0.91 0.17 -0.55 8.46 8.56 2ooeA1 ARG 217 HA -0.16 -0.04 0.36 -0.75 4.34 3.75 2ooeA1 ARG 217 HB2 -1.10 0.05 0.07 -0.04 1.90 0.87 2ooeA1 ARG 217 HB3 -0.55 0.08 0.12 -0.04 1.80 1.40 2ooeA1 ARG 217 HG2 -0.15 -0.04 0.07 -0.04 1.67 1.52 2ooeA1 ARG 217 HG3 -0.18 -0.07 -0.03 -0.04 1.67 1.35 2ooeA1 ARG 217 HD2 -0.33 0.03 -0.05 -0.04 3.22 2.83 2ooeA1 ARG 217 HD3 -0.15 -0.01 -0.10 -0.04 3.22 2.92 2ooeA1 ARG 218 H -0.16 0.47 -0.52 -0.55 8.46 7.70 2ooeA1 ARG 218 HA -0.06 0.04 0.54 -0.75 4.34 4.10 2ooeA1 ARG 218 HB2 -0.10 0.07 0.03 -0.04 1.90 1.86 2ooeA1 ARG 218 HB3 -0.05 0.10 0.13 -0.04 1.80 1.94 2ooeA1 ARG 218 HG2 0.00 -0.07 -0.13 -0.04 1.67 1.43 2ooeA1 ARG 218 HG3 -0.04 -0.03 0.00 -0.04 1.67 1.56 2ooeA1 ARG 218 HD2 -0.02 -0.03 -0.01 -0.04 3.22 3.12 2ooeA1 ARG 218 HD3 -0.04 0.01 0.01 -0.04 3.22 3.15 2ooeA1 VAL 219 H -0.01 0.46 0.04 -0.55 8.24 8.17 2ooeA1 VAL 219 HA 0.21 -0.03 0.33 -0.75 4.13 3.88 2ooeA1 VAL 219 HB 0.03 0.13 0.13 -0.04 2.12 2.37 2ooeA1 VAL 219 HG13 0.13 -0.02 -0.00 -0.04 0.97 1.03 2ooeA1 VAL 219 HG23 -0.03 0.11 0.04 -0.04 0.95 1.02 2ooeA1 ALA 220 H 0.03 0.57 -0.62 -0.55 8.40 7.84 2ooeA1 ALA 220 HA 0.19 -0.03 0.30 -0.75 4.34 4.05 2ooeA1 ALA 220 HB3 0.03 0.09 0.05 -0.04 1.41 1.53 2ooeA1 LYS 221 H 0.02 0.55 -0.13 -0.55 8.42 8.30 2ooeA1 LYS 221 HA -0.03 -0.01 0.46 -0.75 4.32 3.98 2ooeA1 LYS 221 HB2 -0.01 0.15 0.22 -0.04 1.87 2.19 2ooeA1 LYS 221 HB3 -0.03 -0.08 0.03 -0.04 1.79 1.68 2ooeA1 LYS 221 HG2 -0.03 -0.08 0.07 -0.04 1.46 1.38 2ooeA1 LYS 221 HG3 -0.03 0.22 0.18 -0.04 1.46 1.79 2ooeA1 LYS 221 HD2 -0.04 0.00 0.07 -0.04 1.69 1.68 2ooeA1 LYS 221 HD3 -0.03 -0.05 0.03 -0.04 1.68 1.58 2ooeA1 LYS 221 HE2 -0.04 -0.05 0.02 -0.04 2.99 2.89 2ooeA1 LYS 221 HE3 -0.06 0.07 0.02 -0.04 2.99 2.99 2ooeA1 GLU 222 H 0.11 0.38 -0.10 -0.55 8.60 8.44 2ooeA1 GLU 222 HA -0.03 -0.00 0.40 -0.75 4.29 3.91 2ooeA1 GLU 222 HB2 0.59 0.09 0.16 -0.04 2.09 2.88 2ooeA1 GLU 222 HB3 0.54 -0.02 -0.01 -0.04 1.99 2.46 2ooeA1 GLU 222 HG2 0.16 -0.03 0.02 -0.04 2.34 2.45 2ooeA1 GLU 222 HG3 0.16 0.01 -0.06 -0.04 2.34 2.41 2ooeA1 TYR 223 H 0.19 0.81 -0.11 -0.55 8.29 8.63 2ooeA1 TYR 223 HA -1.25 -0.04 0.40 -0.75 4.56 2.92 2ooeA1 TYR 223 HB2 0.38 0.06 0.11 -0.04 3.06 3.57 2ooeA1 TYR 223 HB3 -0.01 0.14 0.14 -0.04 2.98 3.21 2ooeA1 TYR 223 HD2 -0.15 -0.03 -0.05 -0.04 7.15 6.89 2ooeA1 TYR 223 HE2 0.09 0.04 0.01 -0.04 6.85 6.95 2ooeA1 GLU 224 H -0.06 0.65 -0.18 -0.55 8.60 8.47 2ooeA1 GLU 224 HA -0.27 -0.08 0.36 -0.75 4.29 3.55 2ooeA1 GLU 224 HB2 -0.09 -0.08 0.11 -0.04 2.09 1.98 2ooeA1 GLU 224 HB3 -0.09 0.16 0.32 -0.04 1.99 2.34 2ooeA1 GLU 224 HG2 -0.09 -0.05 0.01 -0.04 2.34 2.17 2ooeA1 GLU 224 HG3 -0.14 0.03 -0.46 -0.04 2.34 1.73 2ooeA1 THR 225 H -0.26 0.42 -0.49 -0.55 8.28 7.40 2ooeA1 THR 225 HA -0.21 0.03 0.62 -0.75 4.39 4.08 2ooeA1 THR 225 HB -0.25 0.16 0.26 -0.04 4.32 4.45 2ooeA1 THR 225 HG23 -0.17 -0.02 -0.09 -0.04 1.22 0.90 2ooeA1 VAL 226 H -0.48 0.37 0.16 -0.55 8.24 7.75 2ooeA1 VAL 226 HA -0.32 -0.04 0.36 -0.75 4.13 3.38 2ooeA1 VAL 226 HB -0.40 -0.04 0.03 -0.04 2.12 1.66 2ooeA1 VAL 226 HG13 -0.44 -0.01 0.06 -0.04 0.97 0.54 2ooeA1 VAL 226 HG23 -1.01 0.16 0.16 -0.04 0.95 0.22 2ooeA1 MET 227 H -0.52 0.39 -0.63 -0.55 8.47 7.16 2ooeA1 MET 227 HA -0.60 0.02 0.67 -0.75 4.52 3.86 2ooeA1 MET 227 HB2 -0.53 0.12 0.03 -0.04 2.15 1.73 2ooeA1 MET 227 HB3 -0.48 -0.07 0.01 -0.04 2.03 1.46 2ooeA1 MET 227 HG2 -0.98 0.19 0.00 -0.04 2.63 1.80 2ooeA1 MET 227 HG3 -0.92 -0.11 0.00 -0.04 2.56 1.49 2ooeA1 MET 227 HE3 -0.49 -0.02 0.02 -0.04 2.10 1.57 2ooeA1 LYS 228 H -0.30 0.57 0.14 -0.55 8.42 8.27 2ooeA1 LYS 228 HA -0.21 -0.00 0.38 -0.75 4.32 3.74 2ooeA1 LYS 228 HB2 -0.14 -0.09 0.12 -0.04 1.87 1.72 2ooeA1 LYS 228 HB3 -0.18 0.12 0.27 -0.04 1.79 1.95 2ooeA1 LYS 228 HG2 -0.20 0.26 0.14 -0.04 1.46 1.62 2ooeA1 LYS 228 HG3 -0.15 -0.06 -0.16 -0.04 1.46 1.05 2ooeA1 LYS 228 HD2 -0.12 -0.07 0.00 -0.04 1.69 1.46 2ooeA1 LYS 228 HD3 -0.11 -0.05 0.01 -0.04 1.68 1.49 2ooeA1 LYS 228 HE2 -0.14 0.06 0.07 -0.04 2.99 2.94 2ooeA1 LYS 228 HE3 -0.17 -0.05 0.21 -0.04 2.99 2.93 2ooeA1 GLY 229 H -0.25 0.18 -0.33 -0.55 8.43 7.48 2ooeA1 GLY 229 HA2 -0.16 0.03 0.49 -0.51 4.01 3.87 2ooeA1 GLY 229 HA3 -0.20 -0.06 0.27 -0.51 4.01 3.51 2ooeA1 LEU 230 H -0.40 0.22 -0.15 -0.55 8.37 7.49 2ooeA1 LEU 230 HA -0.44 -0.10 0.41 -0.75 4.35 3.46 2ooeA1 LEU 230 HB2 -0.66 0.21 0.11 -0.04 1.64 1.26 2ooeA1 LEU 230 HB3 -1.06 -0.14 -0.06 -0.04 1.64 0.34 2ooeA1 LEU 230 HG -0.70 0.13 0.07 -0.04 1.64 1.10 2ooeA1 LEU 230 HD13 -1.50 -0.01 -0.01 -0.04 0.93 -0.63 2ooeA1 LEU 230 HD23 -1.63 -0.05 -0.12 -0.04 0.89 -0.95 2ooeA1 ASP 231 H -0.13 -0.00 0.16 -0.55 8.40 7.88 2ooeA1 ASP 231 HA -0.03 0.19 0.54 -0.75 4.63 4.57 2ooeA1 ASP 231 HB2 0.05 0.08 0.20 -0.04 2.71 3.00 2ooeA1 ASP 231 HB3 0.18 -0.17 0.31 -0.04 2.70 2.98 2ooeA1 ARG 232 H 0.26 0.06 0.15 -0.55 8.46 8.37 2ooeA1 ARG 232 HA 0.33 0.06 0.30 -0.75 4.34 4.28 2ooeA1 ARG 232 HB2 0.03 0.74 0.69 -0.04 1.90 3.31 2ooeA1 ARG 232 HB3 0.06 -0.11 0.19 -0.04 1.80 1.89 2ooeA1 ARG 232 HG2 0.33 -0.03 0.00 -0.04 1.67 1.93 2ooeA1 ARG 232 HG3 0.04 -0.03 -0.36 -0.04 1.67 1.28 2ooeA1 ARG 232 HD2 -0.03 -0.09 0.03 -0.04 3.22 3.09 2ooeA1 ARG 232 HD3 -0.01 -0.05 0.01 -0.04 3.22 3.12 2ooeA1 ASN 233 H 0.09 -0.08 -0.04 -0.55 8.53 7.95 2ooeA1 ASN 233 HA 0.09 0.16 0.79 -0.75 4.76 5.05 2ooeA1 ASN 233 HB2 0.05 0.03 -0.09 -0.04 2.88 2.83 2ooeA1 ASN 233 HB3 0.01 -0.01 0.03 -0.04 2.79 2.79 2ooeA1 ASN 233 HD21 0.17 -0.07 -0.10 -0.04 7.03 6.98 2ooeA1 ASN 233 HD22 0.09 0.06 -0.35 -0.04 7.74 7.49 2ooeA1 ALA 234 H 0.08 -0.21 0.11 -0.55 8.40 7.84 2ooeA1 ALA 234 HA 0.01 0.11 0.46 -0.75 4.34 4.17 2ooeA1 ALA 234 HB3 0.08 0.00 0.11 -0.04 1.41 1.56 2ooeA1 PRO 235 HA 0.00 0.03 0.51 -0.51 4.44 4.47 2ooeA1 PRO 235 HB2 0.20 -0.00 0.05 -0.04 2.28 2.49 2ooeA1 PRO 235 HB3 -0.10 0.08 0.08 -0.04 2.02 2.04 2ooeA1 PRO 235 HG2 -0.05 -0.01 0.09 -0.04 2.03 2.02 2ooeA1 PRO 235 HG3 -0.44 0.03 0.10 -0.04 2.03 1.68 2ooeA1 PRO 235 HD2 0.03 0.03 0.24 -0.04 3.68 3.94 2ooeA1 PRO 235 HD3 -0.07 0.18 0.28 -0.04 3.65 4.00 2ooeA1 SER 236 H 0.24 0.08 0.20 -0.55 8.46 8.44 2ooeA1 SER 236 HA 0.11 0.29 0.64 -0.75 4.49 4.77 2ooeA1 SER 236 HB2 0.11 0.24 0.09 -0.04 3.95 4.35 2ooeA1 SER 236 HB3 0.23 -0.04 0.14 -0.04 3.93 4.22 2ooeA1 VAL 237 H 0.05 0.21 0.25 -0.55 8.24 8.19 2ooeA1 VAL 237 HA -0.66 0.24 0.92 -0.75 4.13 3.87 2ooeA1 VAL 237 HB -0.01 -0.10 0.04 -0.04 2.12 2.02 2ooeA1 VAL 237 HG13 -0.19 0.04 -0.03 -0.04 0.97 0.75 2ooeA1 VAL 237 HG23 0.22 0.07 -0.27 -0.04 0.95 0.93 2ooeA1 PRO 238 HA -0.13 0.09 0.47 -0.51 4.44 4.36 2ooeA1 PRO 238 HB2 -0.15 0.08 0.04 -0.04 2.28 2.20 2ooeA1 PRO 238 HB3 -0.31 0.04 0.16 -0.04 2.02 1.87 2ooeA1 PRO 238 HG2 -0.32 -0.03 0.07 -0.04 2.03 1.70 2ooeA1 PRO 238 HG3 -0.39 0.05 0.10 -0.04 2.03 1.76 2ooeA1 PRO 238 HD2 -1.61 0.06 0.24 -0.04 3.68 2.33 2ooeA1 PRO 238 HD3 -1.74 0.20 0.19 -0.04 3.65 2.26 2ooeA1 PRO 239 HA -0.01 -0.02 0.48 -0.51 4.44 4.38 2ooeA1 PRO 239 HB2 -0.09 -0.00 0.09 -0.04 2.28 2.23 2ooeA1 PRO 239 HB3 -0.12 -0.03 0.10 -0.04 2.02 1.93 2ooeA1 PRO 239 HG2 -0.34 -0.01 0.11 -0.04 2.03 1.74 2ooeA1 PRO 239 HG3 -0.27 0.01 0.06 -0.04 2.03 1.79 2ooeA1 PRO 239 HD2 -0.03 0.07 0.27 -0.04 3.68 3.95 2ooeA1 PRO 239 HD3 0.08 0.17 0.25 -0.04 3.65 4.12 2ooeA1 GLN 240 H -0.00 0.12 0.13 -0.55 8.47 8.17 2ooeA1 GLN 240 HA -0.01 0.25 0.71 -0.75 4.36 4.56 2ooeA1 GLN 240 HB2 0.01 -0.05 0.10 -0.04 2.15 2.17 2ooeA1 GLN 240 HB3 0.01 0.00 0.08 -0.04 2.02 2.07 2ooeA1 GLN 240 HG2 -0.01 0.05 -0.18 -0.04 2.40 2.22 2ooeA1 GLN 240 HG3 -0.03 0.27 -0.45 -0.04 2.39 2.14 2ooeA1 GLN 240 HE21 0.06 -0.08 -0.03 -0.04 6.97 6.87 2ooeA1 GLN 240 HE22 -0.03 0.25 -0.05 -0.04 7.69 7.83 2ooeA1 PRO 243 HA 0.02 0.05 0.28 -0.51 4.44 4.29 2ooeA1 PRO 243 HB2 0.02 0.05 0.01 -0.04 2.28 2.32 2ooeA1 PRO 243 HB3 0.02 0.06 0.11 -0.04 2.02 2.17 2ooeA1 PRO 243 HG2 0.03 -0.29 0.23 -0.04 2.03 1.97 2ooeA1 PRO 243 HG3 0.03 0.10 0.15 -0.04 2.03 2.28 2ooeA1 PRO 243 HD2 0.04 -0.05 0.22 -0.04 3.68 3.85 2ooeA1 PRO 243 HD3 0.03 0.13 0.48 -0.04 3.65 4.24 2ooeA1 GLN 244 H 0.04 0.06 0.24 -0.55 8.47 8.26 2ooeA1 GLN 244 HA 0.03 0.26 0.94 -0.75 4.36 4.84 2ooeA1 GLN 244 HB2 0.02 0.09 0.03 -0.04 2.15 2.26 2ooeA1 GLN 244 HB3 0.04 0.00 0.14 -0.04 2.02 2.16 2ooeA1 GLN 244 HG2 0.04 -0.09 -0.16 -0.04 2.40 2.15 2ooeA1 GLN 244 HG3 0.02 0.07 0.07 -0.04 2.39 2.50 2ooeA1 GLN 244 HE21 0.02 0.02 0.01 -0.04 6.97 6.99 2ooeA1 GLN 244 HE22 0.01 0.04 0.02 -0.04 7.69 7.72 2ooeA1 GLU 245 H 0.06 0.10 0.19 -0.55 8.60 8.41 2ooeA1 GLU 245 HA 0.10 0.13 0.50 -0.75 4.29 4.27 2ooeA1 GLU 245 HB2 0.09 0.08 0.12 -0.04 2.09 2.34 2ooeA1 GLU 245 HB3 0.08 -0.00 0.07 -0.04 1.99 2.09 2ooeA1 GLU 245 HG2 0.19 -0.01 -0.20 -0.04 2.34 2.27 2ooeA1 GLU 245 HG3 0.17 -0.00 0.03 -0.04 2.34 2.50 2ooeA1 ALA 246 H 0.06 0.14 -0.14 -0.55 8.40 7.92 2ooeA1 ALA 246 HA 0.09 0.11 0.43 -0.75 4.34 4.22 2ooeA1 ALA 246 HB3 0.04 0.05 0.04 -0.04 1.41 1.49 2ooeA1 GLN 247 H 0.05 -0.05 -0.85 -0.55 8.47 7.07 2ooeA1 GLN 247 HA 0.02 0.12 0.53 -0.75 4.36 4.27 2ooeA1 GLN 247 HB2 0.02 0.16 0.13 -0.04 2.15 2.41 2ooeA1 GLN 247 HB3 0.02 0.12 0.25 -0.04 2.02 2.36 2ooeA1 GLN 247 HG2 -0.00 -0.02 0.07 -0.04 2.40 2.40 2ooeA1 GLN 247 HG3 -0.00 0.03 0.07 -0.04 2.39 2.45 2ooeA1 GLN 247 HE21 -0.05 0.04 -0.04 -0.04 6.97 6.88 2ooeA1 GLN 247 HE22 -0.03 -0.00 -0.00 -0.04 7.69 7.61 2ooeA1 GLN 248 H 0.06 0.93 0.19 -0.55 8.47 9.11 2ooeA1 GLN 248 HA -0.02 0.06 0.49 -0.75 4.36 4.13 2ooeA1 GLN 248 HB2 0.12 0.04 0.22 -0.04 2.15 2.49 2ooeA1 GLN 248 HB3 0.21 -0.06 0.03 -0.04 2.02 2.16 2ooeA1 GLN 248 HG2 0.01 0.04 0.07 -0.04 2.40 2.47 2ooeA1 GLN 248 HG3 0.06 -0.04 0.04 -0.04 2.39 2.41 2ooeA1 GLN 248 HE21 -0.16 0.26 0.17 -0.04 6.97 7.19 2ooeA1 GLN 248 HE22 -0.08 0.01 0.01 -0.04 7.69 7.59 2ooeA1 VAL 249 H 0.14 0.67 -0.18 -0.55 8.24 8.32 2ooeA1 VAL 249 HA 0.25 -0.01 0.38 -0.75 4.13 3.99 2ooeA1 VAL 249 HB 0.12 0.01 0.14 -0.04 2.12 2.35 2ooeA1 VAL 249 HG13 0.13 -0.01 -0.17 -0.04 0.97 0.88 2ooeA1 VAL 249 HG23 0.23 0.08 0.02 -0.04 0.95 1.24 2ooeA1 ASP 250 H 0.08 0.26 -0.59 -0.55 8.40 7.60 2ooeA1 ASP 250 HA 0.06 -0.02 0.34 -0.75 4.63 4.26 2ooeA1 ASP 250 HB2 0.03 0.15 0.23 -0.04 2.71 3.08 2ooeA1 ASP 250 HB3 0.01 0.15 0.18 -0.04 2.70 2.99 2ooeA1 MET 251 H -0.02 0.38 -0.07 -0.55 8.47 8.22 2ooeA1 MET 251 HA -0.07 -0.00 0.40 -0.75 4.52 4.09 2ooeA1 MET 251 HB2 -0.26 0.06 0.14 -0.04 2.15 2.05 2ooeA1 MET 251 HB3 -0.30 0.01 0.02 -0.04 2.03 1.72 2ooeA1 MET 251 HG2 -0.10 -0.04 0.04 -0.04 2.63 2.49 2ooeA1 MET 251 HG3 -0.09 0.13 0.06 -0.04 2.56 2.62 2ooeA1 MET 251 HE3 -0.11 0.12 -0.08 -0.04 2.10 1.98 2ooeA1 TRP 252 H 0.10 0.59 -0.15 -0.55 7.97 7.97 2ooeA1 TRP 252 HA 0.06 0.02 0.46 -0.75 4.62 4.41 2ooeA1 TRP 252 HB2 -0.02 0.14 0.20 -0.04 3.23 3.51 2ooeA1 TRP 252 HB3 -0.05 -0.04 0.00 -0.04 3.23 3.10 2ooeA1 TRP 252 HD1 -0.03 0.06 -0.15 -0.04 7.22 7.05 2ooeA1 TRP 252 HE1 -0.04 -0.11 0.02 -0.04 10.20 10.03 2ooeA1 TRP 252 HE3 0.14 -0.01 0.04 -0.04 7.59 7.72 2ooeA1 TRP 252 HZ2 -0.05 -0.15 -0.03 -0.04 7.44 7.17 2ooeA1 TRP 252 HZ3 0.21 0.03 -0.02 -0.04 7.13 7.31 2ooeA1 TRP 252 HH2 -0.06 0.03 -0.10 -0.04 7.19 7.02 2ooeA1 LYS 253 H 0.18 0.55 -0.01 -0.55 8.42 8.58 2ooeA1 LYS 253 HA 0.02 -0.02 0.38 -0.75 4.32 3.95 2ooeA1 LYS 253 HB2 0.07 0.14 0.12 -0.04 1.87 2.15 2ooeA1 LYS 253 HB3 0.04 -0.04 0.05 -0.04 1.79 1.80 2ooeA1 LYS 253 HG2 0.06 -0.06 0.03 -0.04 1.46 1.46 2ooeA1 LYS 253 HG3 0.11 0.18 0.09 -0.04 1.46 1.80 2ooeA1 LYS 253 HD2 0.07 0.01 -0.02 -0.04 1.69 1.71 2ooeA1 LYS 253 HD3 0.06 -0.01 -0.00 -0.04 1.68 1.69 2ooeA1 LYS 253 HE2 0.08 -0.02 -0.03 -0.04 2.99 2.98 2ooeA1 LYS 253 HE3 0.10 -0.00 -0.03 -0.04 2.99 3.01 2ooeA1 LYS 254 H 0.06 0.43 -0.37 -0.55 8.42 7.99 2ooeA1 LYS 254 HA 0.05 0.01 0.46 -0.75 4.32 4.09 2ooeA1 LYS 254 HB2 -0.00 0.22 0.23 -0.04 1.87 2.28 2ooeA1 LYS 254 HB3 0.02 -0.06 0.04 -0.04 1.79 1.75 2ooeA1 LYS 254 HG2 0.02 -0.06 0.03 -0.04 1.46 1.41 2ooeA1 LYS 254 HG3 0.01 0.25 0.00 -0.04 1.46 1.68 2ooeA1 LYS 254 HD2 -0.04 0.00 0.00 -0.04 1.69 1.62 2ooeA1 LYS 254 HD3 -0.01 -0.03 0.01 -0.04 1.68 1.61 2ooeA1 LYS 254 HE2 -0.01 -0.01 -0.09 -0.04 2.99 2.84 2ooeA1 LYS 254 HE3 -0.02 -0.02 -0.02 -0.04 2.99 2.89 2ooeA1 TYR 255 H 0.13 0.55 0.05 -0.55 8.29 8.47 2ooeA1 TYR 255 HA 0.06 -0.03 0.42 -0.75 4.56 4.25 2ooeA1 TYR 255 HB2 -0.15 0.04 0.12 -0.04 3.06 3.02 2ooeA1 TYR 255 HB3 0.02 0.19 0.27 -0.04 2.98 3.42 2ooeA1 TYR 255 HD2 0.30 -0.04 0.05 -0.04 7.15 7.42 2ooeA1 TYR 255 HE2 0.41 -0.00 0.02 -0.04 6.85 7.24 2ooeA1 ILE 256 H -0.02 0.59 -0.16 -0.55 8.25 8.11 2ooeA1 ILE 256 HA -0.50 0.02 0.41 -0.75 4.18 3.35 2ooeA1 ILE 256 HB -0.23 0.08 0.13 -0.04 1.89 1.84 2ooeA1 ILE 256 HG12 -0.54 -0.06 -0.11 -0.04 1.49 0.74 2ooeA1 ILE 256 HG13 -0.12 0.24 -0.09 -0.04 1.21 1.19 2ooeA1 ILE 256 HG23 -0.85 -0.01 -0.08 -0.04 0.93 -0.06 2ooeA1 ILE 256 HD13 -0.55 -0.02 -0.09 -0.04 0.88 0.18 2ooeA1 GLN 257 H -0.03 0.69 -0.08 -0.55 8.47 8.50 2ooeA1 GLN 257 HA -0.09 -0.02 0.45 -0.75 4.36 3.95 2ooeA1 GLN 257 HB2 0.05 0.12 0.29 -0.04 2.15 2.57 2ooeA1 GLN 257 HB3 0.02 -0.07 0.04 -0.04 2.02 1.97 2ooeA1 GLN 257 HG2 -0.02 -0.08 0.05 -0.04 2.40 2.31 2ooeA1 GLN 257 HG3 -0.02 0.26 0.15 -0.04 2.39 2.74 2ooeA1 GLN 257 HE21 0.03 -0.04 -0.02 -0.04 6.97 6.90 2ooeA1 GLN 257 HE22 0.02 -0.01 -0.00 -0.04 7.69 7.65 2ooeA1 TRP 258 H 0.25 1.01 0.07 -0.55 7.97 8.75 2ooeA1 TRP 258 HA -0.01 -0.04 0.35 -0.75 4.62 4.16 2ooeA1 TRP 258 HB2 0.04 -0.01 0.09 -0.04 3.23 3.31 2ooeA1 TRP 258 HB3 0.10 0.22 0.22 -0.04 3.23 3.73 2ooeA1 TRP 258 HD1 0.01 -0.02 0.01 -0.04 7.22 7.19 2ooeA1 TRP 258 HE1 0.01 -0.04 -0.04 -0.04 10.20 10.09 2ooeA1 TRP 258 HE3 0.27 0.14 0.02 -0.04 7.59 7.97 2ooeA1 TRP 258 HZ2 0.03 -0.06 0.00 -0.04 7.44 7.37 2ooeA1 TRP 258 HZ3 -0.03 0.03 0.02 -0.04 7.13 7.11 2ooeA1 TRP 258 HH2 -0.06 0.05 0.03 -0.04 7.19 7.16 2ooeA1 GLU 259 H 0.15 0.55 -0.22 -0.55 8.60 8.53 2ooeA1 GLU 259 HA -0.51 -0.04 0.44 -0.75 4.29 3.43 2ooeA1 GLU 259 HB2 -0.02 0.12 0.19 -0.04 2.09 2.34 2ooeA1 GLU 259 HB3 -0.23 0.03 0.06 -0.04 1.99 1.81 2ooeA1 GLU 259 HG2 -0.06 0.38 -0.25 -0.04 2.34 2.36 2ooeA1 GLU 259 HG3 -0.15 -0.08 -0.21 -0.04 2.34 1.86 2ooeA1 LYS 260 H -0.17 0.46 -0.20 -0.55 8.42 7.94 2ooeA1 LYS 260 HA -0.15 -0.01 0.52 -0.75 4.32 3.93 2ooeA1 LYS 260 HB2 -0.13 0.11 0.23 -0.04 1.87 2.04 2ooeA1 LYS 260 HB3 -0.06 -0.09 0.06 -0.04 1.79 1.66 2ooeA1 LYS 260 HG2 -0.75 -0.08 0.04 -0.04 1.46 0.63 2ooeA1 LYS 260 HG3 -0.47 0.14 0.06 -0.04 1.46 1.15 2ooeA1 LYS 260 HD2 -0.22 -0.01 -0.09 -0.04 1.69 1.33 2ooeA1 LYS 260 HD3 -0.12 -0.04 0.00 -0.04 1.68 1.49 2ooeA1 LYS 260 HE2 -0.95 -0.04 0.01 -0.04 2.99 1.96 2ooeA1 LYS 260 HE3 -0.50 0.00 -0.05 -0.04 2.99 2.40 2ooeA1 SER 261 H -0.16 0.49 -0.18 -0.55 8.46 8.06 2ooeA1 SER 261 HA -0.06 0.02 0.52 -0.75 4.49 4.21 2ooeA1 SER 261 HB2 -0.08 -0.07 0.03 -0.04 3.95 3.79 2ooeA1 SER 261 HB3 -0.05 -0.08 0.03 -0.04 3.93 3.79 2ooeA1 ASN 262 H -0.26 0.25 -0.44 -0.55 8.53 7.54 2ooeA1 ASN 262 HA -0.22 0.04 0.29 -0.75 4.76 4.12 2ooeA1 ASN 262 HB2 -0.08 -0.01 -0.29 -0.04 2.88 2.46 2ooeA1 ASN 262 HB3 -0.10 0.20 0.40 -0.04 2.79 3.25 2ooeA1 ASN 262 HD21 -0.06 0.02 0.09 -0.04 7.03 7.04 2ooeA1 ASN 262 HD22 -0.06 -0.05 0.03 -0.04 7.74 7.63 2ooeA1 PRO 263 HA -0.30 0.01 0.30 -0.51 4.44 3.94 2ooeA1 PRO 263 HB2 -0.55 -0.07 0.13 -0.04 2.28 1.75 2ooeA1 PRO 263 HB3 -0.51 -0.05 0.06 -0.04 2.02 1.48 2ooeA1 PRO 263 HG2 -2.36 -0.00 -0.02 -0.04 2.03 -0.39 2ooeA1 PRO 263 HG3 -2.03 0.06 -0.02 -0.04 2.03 -0.00 2ooeA1 PRO 263 HD2 -0.55 0.11 0.22 -0.04 3.68 3.42 2ooeA1 PRO 263 HD3 -0.61 0.17 0.25 -0.04 3.65 3.42 2ooeA1 LEU 264 H -0.24 0.11 -0.08 -0.55 8.37 7.61 2ooeA1 LEU 264 HA -0.09 0.05 0.49 -0.75 4.35 4.04 2ooeA1 LEU 264 HB2 -0.10 -0.02 0.12 -0.04 1.64 1.59 2ooeA1 LEU 264 HB3 -0.07 0.01 -0.03 -0.04 1.64 1.51 2ooeA1 LEU 264 HG -0.13 -0.05 0.09 -0.04 1.64 1.51 2ooeA1 LEU 264 HD13 -0.07 0.01 0.05 -0.04 0.93 0.87 2ooeA1 LEU 264 HD23 -0.06 0.03 0.03 -0.04 0.89 0.84 2ooeA1 ARG 265 H -0.07 0.11 0.23 -0.55 8.46 8.19 2ooeA1 ARG 265 HA -0.07 0.20 0.42 -0.75 4.34 4.14 2ooeA1 ARG 265 HB2 -0.04 -0.10 0.26 -0.04 1.90 1.98 2ooeA1 ARG 265 HB3 -0.04 -0.01 0.13 -0.04 1.80 1.83 2ooeA1 ARG 265 HG2 -0.06 0.28 0.18 -0.04 1.67 2.02 2ooeA1 ARG 265 HG3 -0.05 -0.08 0.23 -0.04 1.67 1.73 2ooeA1 ARG 265 HD2 -0.03 -0.07 0.08 -0.04 3.22 3.16 2ooeA1 ARG 265 HD3 -0.03 0.02 0.07 -0.04 3.22 3.23 2ooeA1 THR 266 H -0.06 0.48 0.37 -0.55 8.28 8.52 2ooeA1 THR 266 HA -0.03 0.15 1.01 -0.75 4.39 4.77 2ooeA1 THR 266 HB -0.03 0.03 -0.11 -0.04 4.32 4.17 2ooeA1 THR 266 HG23 -0.05 0.16 0.02 -0.04 1.22 1.31 2ooeA1 GLU 267 H -0.02 0.15 0.14 -0.55 8.60 8.33 2ooeA1 GLU 267 HA -0.01 0.17 0.43 -0.75 4.29 4.13 2ooeA1 GLU 267 HB2 -0.01 -0.02 0.07 -0.04 2.09 2.09 2ooeA1 GLU 267 HB3 -0.01 0.01 0.15 -0.04 1.99 2.10 2ooeA1 GLU 267 HG2 -0.01 -0.00 0.05 -0.04 2.34 2.33 2ooeA1 GLU 267 HG3 -0.01 0.00 0.04 -0.04 2.34 2.34 2ooeA1 ASP 268 H -0.01 0.06 -0.41 -0.55 8.40 7.49 2ooeA1 ASP 268 HA 0.01 0.08 0.66 -0.75 4.63 4.62 2ooeA1 ASP 268 HB2 0.00 0.05 0.07 -0.04 2.71 2.79 2ooeA1 ASP 268 HB3 -0.00 0.07 0.11 -0.04 2.70 2.84 2ooeA1 GLN 269 H 0.02 0.23 0.27 -0.55 8.47 8.44 2ooeA1 GLN 269 HA 0.03 0.20 0.48 -0.75 4.36 4.32 2ooeA1 GLN 269 HB2 0.02 0.12 0.16 -0.04 2.15 2.41 2ooeA1 GLN 269 HB3 0.05 -0.06 0.18 -0.04 2.02 2.15 2ooeA1 GLN 269 HG2 0.04 0.10 0.01 -0.04 2.40 2.51 2ooeA1 GLN 269 HG3 0.10 -0.06 -0.13 -0.04 2.39 2.25 2ooeA1 GLN 269 HE21 0.03 0.09 0.06 -0.04 6.97 7.11 2ooeA1 GLN 269 HE22 0.02 -0.09 0.07 -0.04 7.69 7.64 2ooeA1 THR 270 H 0.07 0.11 0.03 -0.55 8.28 7.94 2ooeA1 THR 270 HA 0.31 0.11 0.43 -0.75 4.39 4.48 2ooeA1 THR 270 HB 0.15 0.06 0.08 -0.04 4.32 4.57 2ooeA1 THR 270 HG23 0.01 0.01 0.08 -0.04 1.22 1.28 2ooeA1 LEU 271 H 0.04 0.09 -0.45 -0.55 8.37 7.51 2ooeA1 LEU 271 HA 0.03 0.08 0.47 -0.75 4.35 4.18 2ooeA1 LEU 271 HB2 0.01 -0.04 0.05 -0.04 1.64 1.61 2ooeA1 LEU 271 HB3 0.00 0.10 0.02 -0.04 1.64 1.73 2ooeA1 LEU 271 HG -0.03 0.06 -0.06 -0.04 1.64 1.57 2ooeA1 LEU 271 HD13 -0.01 -0.01 0.12 -0.04 0.93 1.00 2ooeA1 LEU 271 HD23 -0.01 -0.00 0.01 -0.04 0.89 0.85 2ooeA1 ILE 272 H 0.04 0.33 -0.48 -0.55 8.25 7.59 2ooeA1 ILE 272 HA -0.04 0.14 0.68 -0.75 4.18 4.20 2ooeA1 ILE 272 HB 0.05 -0.03 0.17 -0.04 1.89 2.04 2ooeA1 ILE 272 HG12 -0.03 0.01 0.03 -0.04 1.49 1.47 2ooeA1 ILE 272 HG13 0.02 -0.02 0.32 -0.04 1.21 1.48 2ooeA1 ILE 272 HG23 -0.04 0.02 0.06 -0.04 0.93 0.93 2ooeA1 ILE 272 HD13 0.00 -0.01 -0.04 -0.04 0.88 0.78 2ooeA1 THR 273 H 0.07 0.52 0.16 -0.55 8.28 8.48 2ooeA1 THR 273 HA 0.21 0.03 0.39 -0.75 4.39 4.26 2ooeA1 THR 273 HB -0.03 0.04 0.16 -0.04 4.32 4.46 2ooeA1 THR 273 HG23 -0.78 -0.01 -0.05 -0.04 1.22 0.34 2ooeA1 LYS 274 H 0.06 0.57 -0.22 -0.55 8.42 8.27 2ooeA1 LYS 274 HA 0.04 0.00 0.34 -0.75 4.32 3.95 2ooeA1 LYS 274 HB2 0.06 0.21 0.20 -0.04 1.87 2.29 2ooeA1 LYS 274 HB3 0.01 0.05 0.01 -0.04 1.79 1.83 2ooeA1 LYS 274 HG2 0.03 -0.00 -0.01 -0.04 1.46 1.43 2ooeA1 LYS 274 HG3 0.02 0.00 0.00 -0.04 1.46 1.45 2ooeA1 LYS 274 HD2 0.14 -0.05 0.01 -0.04 1.69 1.74 2ooeA1 LYS 274 HD3 0.16 0.08 0.02 -0.04 1.68 1.90 2ooeA1 LYS 274 HE2 0.12 -0.06 -0.03 -0.04 2.99 2.99 2ooeA1 LYS 274 HE3 0.06 -0.01 -0.03 -0.04 2.99 2.97 2ooeA1 ARG 275 H 0.00 0.35 -0.25 -0.55 8.46 8.01 2ooeA1 ARG 275 HA 0.10 -0.01 0.41 -0.75 4.34 4.09 2ooeA1 ARG 275 HB2 -0.06 0.16 0.24 -0.04 1.90 2.19 2ooeA1 ARG 275 HB3 -0.03 -0.06 0.11 -0.04 1.80 1.78 2ooeA1 ARG 275 HG2 -0.02 -0.04 0.08 -0.04 1.67 1.65 2ooeA1 ARG 275 HG3 -0.03 0.04 0.13 -0.04 1.67 1.77 2ooeA1 ARG 275 HD2 -0.07 -0.00 0.09 -0.04 3.22 3.19 2ooeA1 ARG 275 HD3 -0.10 0.04 0.12 -0.04 3.22 3.24 2ooeA1 VAL 276 H -0.04 0.65 -0.21 -0.55 8.24 8.10 2ooeA1 VAL 276 HA -0.24 0.04 0.55 -0.75 4.13 3.73 2ooeA1 VAL 276 HB -0.09 0.01 0.13 -0.04 2.12 2.12 2ooeA1 VAL 276 HG13 -0.84 -0.02 -0.10 -0.04 0.97 -0.02 2ooeA1 VAL 276 HG23 -0.23 0.02 -0.24 -0.04 0.95 0.45 2ooeA1 MET 277 H -0.00 1.06 0.10 -0.55 8.47 9.07 2ooeA1 MET 277 HA 0.08 -0.06 0.43 -0.75 4.52 4.22 2ooeA1 MET 277 HB2 0.01 0.18 0.18 -0.04 2.15 2.48 2ooeA1 MET 277 HB3 0.02 -0.07 -0.01 -0.04 2.03 1.92 2ooeA1 MET 277 HG2 -0.06 0.10 0.04 -0.04 2.63 2.67 2ooeA1 MET 277 HG3 -0.12 -0.07 -0.03 -0.04 2.56 2.29 2ooeA1 MET 277 HE3 -0.08 -0.01 -0.03 -0.04 2.10 1.94 2ooeA1 PHE 278 H 0.15 0.61 -0.19 -0.55 8.34 8.36 2ooeA1 PHE 278 HA -0.02 0.03 0.44 -0.75 4.62 4.31 2ooeA1 PHE 278 HB2 -0.01 0.06 0.05 -0.04 3.15 3.21 2ooeA1 PHE 278 HB3 0.01 0.11 0.09 -0.04 3.06 3.23 2ooeA1 PHE 278 HD2 0.05 0.05 -0.01 -0.04 7.28 7.33 2ooeA1 PHE 278 HE2 0.06 0.08 -0.17 -0.04 7.38 7.31 2ooeA1 PHE 278 HZ 0.02 -0.08 -0.01 -0.04 7.32 7.21 2ooeA1 ALA 279 H -0.08 0.42 -0.35 -0.55 8.40 7.84 2ooeA1 ALA 279 HA -0.21 -0.03 0.44 -0.75 4.34 3.79 2ooeA1 ALA 279 HB3 -0.70 0.06 0.13 -0.04 1.41 0.85 2ooeA1 TYR 280 H -0.27 0.59 0.03 -0.55 8.29 8.09 2ooeA1 TYR 280 HA -0.31 -0.07 0.32 -0.75 4.56 3.75 2ooeA1 TYR 280 HB2 -0.22 0.12 0.17 -0.04 3.06 3.09 2ooeA1 TYR 280 HB3 -0.31 -0.02 -0.04 -0.04 2.98 2.58 2ooeA1 TYR 280 HD2 -0.26 -0.01 -0.00 -0.04 7.15 6.83 2ooeA1 TYR 280 HE2 -0.22 -0.03 -0.01 -0.04 6.85 6.54 2ooeA1 GLU 281 H -0.11 0.49 -0.54 -0.55 8.60 7.89 2ooeA1 GLU 281 HA -0.20 -0.03 0.33 -0.75 4.29 3.63 2ooeA1 GLU 281 HB2 -0.17 0.28 0.24 -0.04 2.09 2.41 2ooeA1 GLU 281 HB3 -0.08 -0.08 0.01 -0.04 1.99 1.80 2ooeA1 GLU 281 HG2 -0.01 0.32 0.09 -0.04 2.34 2.69 2ooeA1 GLU 281 HG3 0.08 -0.03 0.01 -0.04 2.34 2.35 2ooeA1 GLN 282 H -0.34 0.60 0.10 -0.55 8.47 8.28 2ooeA1 GLN 282 HA -0.18 -0.02 0.42 -0.75 4.36 3.82 2ooeA1 GLN 282 HB2 0.08 0.07 0.23 -0.04 2.15 2.49 2ooeA1 GLN 282 HB3 0.16 -0.11 0.06 -0.04 2.02 2.09 2ooeA1 GLN 282 HG2 -0.79 0.30 0.18 -0.04 2.40 2.04 2ooeA1 GLN 282 HG3 -0.20 -0.06 0.06 -0.04 2.39 2.15 2ooeA1 GLN 282 HE21 -0.06 0.21 0.16 -0.04 6.97 7.24 2ooeA1 GLN 282 HE22 -0.53 0.06 0.09 -0.04 7.69 7.27 2ooeA1 CYS 283 H -0.43 0.65 -0.13 -0.55 8.50 8.04 2ooeA1 CYS 283 HA -2.35 -0.10 0.36 -0.75 4.58 1.74 2ooeA1 CYS 283 HB2 -0.45 0.01 0.04 -0.04 2.97 2.52 2ooeA1 CYS 283 HB3 -0.45 0.22 0.11 -0.04 2.97 2.82 2ooeA1 LEU 284 H -0.49 0.74 -0.08 -0.55 8.37 7.99 2ooeA1 LEU 284 HA -0.51 -0.11 0.13 -0.75 4.35 3.11 2ooeA1 LEU 284 HB2 -0.46 0.25 0.12 -0.04 1.64 1.51 2ooeA1 LEU 284 HB3 -0.57 -0.07 0.02 -0.04 1.64 0.99 2ooeA1 LEU 284 HG -0.69 0.12 0.02 -0.04 1.64 1.04 2ooeA1 LEU 284 HD13 -1.24 -0.01 -0.08 -0.04 0.93 -0.44 2ooeA1 LEU 284 HD23 -1.74 -0.03 -0.08 -0.04 0.89 -1.01 2ooeA1 LEU 285 H -0.32 0.59 -0.45 -0.55 8.37 7.64 2ooeA1 LEU 285 HA -0.05 0.02 0.49 -0.75 4.35 4.06 2ooeA1 LEU 285 HB2 -0.13 0.21 0.20 -0.04 1.64 1.88 2ooeA1 LEU 285 HB3 0.01 -0.05 0.11 -0.04 1.64 1.66 2ooeA1 LEU 285 HG -0.10 0.25 0.09 -0.04 1.64 1.83 2ooeA1 LEU 285 HD13 0.05 -0.09 -0.05 -0.04 0.93 0.80 2ooeA1 LEU 285 HD23 0.04 0.01 0.12 -0.04 0.89 1.01 2ooeA1 VAL 286 H -0.36 0.48 -0.08 -0.55 8.24 7.72 2ooeA1 VAL 286 HA -0.03 0.27 0.85 -0.75 4.13 4.48 2ooeA1 VAL 286 HB -0.28 0.04 0.12 -0.04 2.12 1.96 2ooeA1 VAL 286 HG13 0.08 -0.01 -0.13 -0.04 0.97 0.86 2ooeA1 VAL 286 HG23 0.08 0.00 -0.10 -0.04 0.95 0.89 2ooeA1 LEU 287 H -0.45 0.63 0.13 -0.55 8.37 8.13 2ooeA1 LEU 287 HA -0.37 0.16 0.82 -0.75 4.35 4.21 2ooeA1 LEU 287 HB2 -0.54 0.07 0.04 -0.04 1.64 1.16 2ooeA1 LEU 287 HB3 -0.88 -0.07 0.18 -0.04 1.64 0.83 2ooeA1 LEU 287 HG -0.39 -0.02 -0.10 -0.04 1.64 1.08 2ooeA1 LEU 287 HD13 -0.13 -0.01 -0.01 -0.04 0.93 0.74 2ooeA1 LEU 287 HD23 -0.21 0.02 -0.04 -0.04 0.89 0.63 2ooeA1 GLY 288 H -0.09 0.29 -0.44 -0.55 8.43 7.65 2ooeA1 GLY 288 HA2 -0.07 0.01 0.44 -0.51 4.01 3.89 2ooeA1 GLY 288 HA3 0.07 0.21 0.35 -0.51 4.01 4.12 2ooeA1 HIS 289 H 0.14 0.08 -0.66 -0.55 8.41 7.42 2ooeA1 HIS 289 HA 0.14 0.22 0.68 -0.75 4.63 4.92 2ooeA1 HIS 289 HB2 0.09 0.05 -0.22 -0.04 3.26 3.14 2ooeA1 HIS 289 HB3 0.06 -0.05 0.09 -0.04 3.20 3.26 2ooeA1 HIS 289 HD2 -0.01 -0.04 0.05 -0.04 6.97 6.92 2ooeA1 HIS 289 HE1 0.01 0.13 -0.02 -0.04 7.75 7.82 2ooeA1 HIS 290 H 0.26 0.33 -0.43 -0.55 8.41 8.02 2ooeA1 HIS 290 HA 0.08 0.23 0.94 -0.75 4.63 5.12 2ooeA1 HIS 290 HB2 -0.00 0.14 0.22 -0.04 3.26 3.58 2ooeA1 HIS 290 HB3 0.03 -0.13 0.08 -0.04 3.20 3.14 2ooeA1 HIS 290 HD2 0.02 -0.03 0.02 -0.04 6.97 6.93 2ooeA1 HIS 290 HE1 0.03 0.09 -0.02 -0.04 7.75 7.80 2ooeA1 PRO 291 HA 0.21 0.10 0.34 -0.51 4.44 4.58 2ooeA1 PRO 291 HB2 0.04 0.01 0.02 -0.04 2.28 2.31 2ooeA1 PRO 291 HB3 0.03 -0.02 0.07 -0.04 2.02 2.05 2ooeA1 PRO 291 HG2 0.01 0.04 0.08 -0.04 2.03 2.12 2ooeA1 PRO 291 HG3 0.04 0.10 0.05 -0.04 2.03 2.18 2ooeA1 PRO 291 HD2 0.05 0.03 0.19 -0.04 3.68 3.90 2ooeA1 PRO 291 HD3 0.09 0.46 0.20 -0.04 3.65 4.35 2ooeA1 ASP 292 H 0.10 0.15 -0.26 -0.55 8.40 7.84 2ooeA1 ASP 292 HA 0.12 0.04 0.31 -0.75 4.63 4.34 2ooeA1 ASP 292 HB2 0.09 0.04 0.02 -0.04 2.71 2.82 2ooeA1 ASP 292 HB3 0.05 0.02 0.07 -0.04 2.70 2.80 2ooeA1 ILE 293 H 0.10 0.38 -0.25 -0.55 8.25 7.94 2ooeA1 ILE 293 HA 0.01 0.06 0.53 -0.75 4.18 4.02 2ooeA1 ILE 293 HB -0.20 0.16 0.09 -0.04 1.89 1.90 2ooeA1 ILE 293 HG12 0.05 -0.02 -0.04 -0.04 1.49 1.44 2ooeA1 ILE 293 HG13 0.09 -0.08 0.03 -0.04 1.21 1.22 2ooeA1 ILE 293 HG23 -0.14 -0.00 -0.06 -0.04 0.93 0.69 2ooeA1 ILE 293 HD13 -0.11 0.02 0.01 -0.04 0.88 0.77 2ooeA1 TRP 294 H 0.13 0.33 -0.06 -0.55 7.97 7.82 2ooeA1 TRP 294 HA -0.26 0.08 0.40 -0.75 4.62 4.09 2ooeA1 TRP 294 HB2 -0.13 0.03 0.17 -0.04 3.23 3.26 2ooeA1 TRP 294 HB3 -0.27 0.02 -0.01 -0.04 3.23 2.94 2ooeA1 TRP 294 HD1 -0.08 -0.03 -0.22 -0.04 7.22 6.85 2ooeA1 TRP 294 HE1 -0.15 0.41 0.14 -0.04 10.20 10.56 2ooeA1 TRP 294 HE3 -0.26 0.02 0.07 -0.04 7.59 7.38 2ooeA1 TRP 294 HZ2 -0.14 0.04 0.04 -0.04 7.44 7.35 2ooeA1 TRP 294 HZ3 -0.16 0.01 0.03 -0.04 7.13 6.97 2ooeA1 TRP 294 HH2 -0.11 0.05 -0.05 -0.04 7.19 7.04 2ooeA1 TYR 295 H 0.20 0.56 -0.11 -0.55 8.29 8.39 2ooeA1 TYR 295 HA -0.21 0.04 0.35 -0.75 4.56 4.00 2ooeA1 TYR 295 HB2 0.01 -0.02 0.03 -0.04 3.06 3.04 2ooeA1 TYR 295 HB3 0.00 0.08 0.13 -0.04 2.98 3.15 2ooeA1 TYR 295 HD2 0.08 0.02 -0.06 -0.04 7.15 7.15 2ooeA1 TYR 295 HE2 0.11 0.02 -0.05 -0.04 6.85 6.89 2ooeA1 GLU 296 H 0.07 0.72 -0.00 -0.55 8.60 8.84 2ooeA1 GLU 296 HA -0.15 -0.02 0.35 -0.75 4.29 3.72 2ooeA1 GLU 296 HB2 0.01 0.07 0.15 -0.04 2.09 2.27 2ooeA1 GLU 296 HB3 0.09 -0.04 0.05 -0.04 1.99 2.06 2ooeA1 GLU 296 HG2 0.14 -0.07 0.07 -0.04 2.34 2.43 2ooeA1 GLU 296 HG3 0.15 0.36 0.16 -0.04 2.34 2.98 2ooeA1 ALA 297 H -0.50 0.44 -0.65 -0.55 8.40 7.14 2ooeA1 ALA 297 HA -1.33 0.04 0.60 -0.75 4.34 2.90 2ooeA1 ALA 297 HB3 -1.15 0.05 0.11 -0.04 1.41 0.38 2ooeA1 ALA 298 H -0.41 0.56 0.08 -0.55 8.40 8.08 2ooeA1 ALA 298 HA -0.24 0.01 0.59 -0.75 4.34 3.94 2ooeA1 ALA 298 HB3 -0.48 0.03 0.12 -0.04 1.41 1.04 2ooeA1 GLN 299 H -0.33 0.35 -0.44 -0.55 8.47 7.51 2ooeA1 GLN 299 HA -0.17 0.06 0.53 -0.75 4.36 4.03 2ooeA1 GLN 299 HB2 -0.47 0.11 0.04 -0.04 2.15 1.78 2ooeA1 GLN 299 HB3 -0.12 0.07 0.01 -0.04 2.02 1.94 2ooeA1 GLN 299 HG2 -0.14 -0.02 -0.03 -0.04 2.40 2.16 2ooeA1 GLN 299 HG3 -0.07 -0.03 -0.00 -0.04 2.39 2.25 2ooeA1 GLN 299 HE21 0.04 0.02 -0.01 -0.04 6.97 6.97 2ooeA1 GLN 299 HE22 -0.01 -0.05 0.05 -0.04 7.69 7.64 2ooeA1 TYR 300 H -0.01 0.40 -0.14 -0.55 8.29 7.98 2ooeA1 TYR 300 HA -0.04 0.02 0.43 -0.75 4.56 4.21 2ooeA1 TYR 300 HB2 0.05 0.09 0.18 -0.04 3.06 3.34 2ooeA1 TYR 300 HB3 -0.02 0.14 0.13 -0.04 2.98 3.19 2ooeA1 TYR 300 HD2 -0.03 0.02 -0.05 -0.04 7.15 7.05 2ooeA1 TYR 300 HE2 -0.07 -0.00 0.03 -0.04 6.85 6.77 2ooeA1 LEU 301 H -0.07 0.32 -0.37 -0.55 8.37 7.70 2ooeA1 LEU 301 HA -0.20 0.03 0.43 -0.75 4.35 3.85 2ooeA1 LEU 301 HB2 -0.11 0.07 0.19 -0.04 1.64 1.75 2ooeA1 LEU 301 HB3 -0.04 0.04 -0.01 -0.04 1.64 1.58 2ooeA1 LEU 301 HG -0.10 0.07 0.02 -0.04 1.64 1.59 2ooeA1 LEU 301 HD13 -0.05 -0.01 -0.11 -0.04 0.93 0.72 2ooeA1 LEU 301 HD23 -0.30 -0.01 0.03 -0.04 0.89 0.56 2ooeA1 GLU 302 H -0.07 0.46 -0.17 -0.55 8.60 8.28 2ooeA1 GLU 302 HA 0.13 -0.01 0.34 -0.75 4.29 4.00 2ooeA1 GLU 302 HB2 0.15 0.02 0.14 -0.04 2.09 2.35 2ooeA1 GLU 302 HB3 0.01 0.12 0.20 -0.04 1.99 2.29 2ooeA1 GLU 302 HG2 0.08 0.01 -0.19 -0.04 2.34 2.19 2ooeA1 GLU 302 HG3 0.14 -0.09 -0.05 -0.04 2.34 2.31 2ooeA1 GLN 303 H -0.07 0.55 -0.29 -0.55 8.47 8.12 2ooeA1 GLN 303 HA -0.03 -0.01 0.40 -0.75 4.36 3.97 2ooeA1 GLN 303 HB2 -0.05 -0.01 0.08 -0.04 2.15 2.13 2ooeA1 GLN 303 HB3 -0.18 0.11 0.22 -0.04 2.02 2.12 2ooeA1 GLN 303 HG2 -0.25 0.02 -0.09 -0.04 2.40 2.03 2ooeA1 GLN 303 HG3 -0.08 -0.06 -0.09 -0.04 2.39 2.12 2ooeA1 GLN 303 HE21 0.06 0.00 -0.01 -0.04 6.97 6.98 2ooeA1 GLN 303 HE22 -0.04 0.01 -0.02 -0.04 7.69 7.59 2ooeA1 SER 304 H -0.41 0.65 0.08 -0.55 8.46 8.23 2ooeA1 SER 304 HA -0.17 -0.04 0.31 -0.75 4.49 3.84 2ooeA1 SER 304 HB2 -0.27 0.08 0.09 -0.04 3.95 3.81 2ooeA1 SER 304 HB3 -0.15 -0.11 0.07 -0.04 3.93 3.71 2ooeA1 SER 305 H 0.01 0.40 -0.98 -0.55 8.46 7.34 2ooeA1 SER 305 HA 0.20 -0.03 0.45 -0.75 4.49 4.34 2ooeA1 SER 305 HB2 0.17 -0.03 -0.08 -0.04 3.95 3.97 2ooeA1 SER 305 HB3 0.09 0.42 0.26 -0.04 3.93 4.65 2ooeA1 LYS 306 H 0.04 0.58 0.24 -0.55 8.42 8.72 2ooeA1 LYS 306 HA 0.03 -0.04 0.51 -0.75 4.32 4.06 2ooeA1 LYS 306 HB2 0.02 -0.04 0.11 -0.04 1.87 1.92 2ooeA1 LYS 306 HB3 0.03 0.01 0.15 -0.04 1.79 1.94 2ooeA1 LYS 306 HG2 0.02 0.31 0.25 -0.04 1.46 2.01 2ooeA1 LYS 306 HG3 0.01 -0.03 -0.04 -0.04 1.46 1.36 2ooeA1 LYS 306 HD2 0.03 -0.03 -0.03 -0.04 1.69 1.62 2ooeA1 LYS 306 HD3 0.03 -0.04 -0.01 -0.04 1.68 1.62 2ooeA1 LYS 306 HE2 0.04 -0.04 0.03 -0.04 2.99 2.98 2ooeA1 LYS 306 HE3 0.07 0.09 -0.01 -0.04 2.99 3.10 2ooeA1 LEU 307 H 0.01 0.60 -0.52 -0.55 8.37 7.91 2ooeA1 LEU 307 HA 0.00 0.03 0.48 -0.75 4.35 4.12 2ooeA1 LEU 307 HB2 -0.02 -0.01 -0.05 -0.04 1.64 1.51 2ooeA1 LEU 307 HB3 -0.02 0.14 -0.06 -0.04 1.64 1.65 2ooeA1 LEU 307 HG -0.00 -0.05 0.13 -0.04 1.64 1.68 2ooeA1 LEU 307 HD13 -0.02 -0.00 -0.02 -0.04 0.93 0.84 2ooeA1 LEU 307 HD23 -0.00 -0.00 -0.02 -0.04 0.89 0.82 2ooeA1 LEU 308 H 0.02 0.47 -0.47 -0.55 8.37 7.85 2ooeA1 LEU 308 HA 0.01 0.06 0.85 -0.75 4.35 4.52 2ooeA1 LEU 308 HB2 0.02 0.28 0.22 -0.04 1.64 2.12 2ooeA1 LEU 308 HB3 -0.02 -0.01 0.03 -0.04 1.64 1.59 2ooeA1 LEU 308 HG 0.08 0.31 0.02 -0.04 1.64 2.02 2ooeA1 LEU 308 HD13 0.00 -0.07 -0.08 -0.04 0.93 0.74 2ooeA1 LEU 308 HD23 0.02 -0.06 0.04 -0.04 0.89 0.85 2ooeA1 ALA 309 H 0.01 0.18 0.03 -0.55 8.40 8.08 2ooeA1 ALA 309 HA -0.00 0.05 0.25 -0.75 4.34 3.88 2ooeA1 ALA 309 HB3 0.01 0.03 0.09 -0.04 1.41 1.50 2ooeA1 GLU 310 H 0.00 0.16 -0.52 -0.55 8.60 7.69 2ooeA1 GLU 310 HA 0.00 0.11 0.53 -0.75 4.29 4.18 2ooeA1 GLU 310 HB2 0.00 0.01 0.03 -0.04 2.09 2.09 2ooeA1 GLU 310 HB3 0.00 -0.01 -0.01 -0.04 1.99 1.93 2ooeA1 GLU 310 HG2 0.01 -0.04 -0.00 -0.04 2.34 2.26 2ooeA1 GLU 310 HG3 0.01 0.38 0.13 -0.04 2.34 2.81 2ooeA1 LYS 311 H 0.00 0.19 -0.18 -0.55 8.42 7.88 2ooeA1 LYS 311 HA -0.00 0.11 0.42 -0.75 4.32 4.09 2ooeA1 LYS 311 HB2 0.00 0.08 0.20 -0.04 1.87 2.11 2ooeA1 LYS 311 HB3 -0.00 -0.05 0.25 -0.04 1.79 1.95 2ooeA1 LYS 311 HG2 -0.00 -0.01 0.09 -0.04 1.46 1.50 2ooeA1 LYS 311 HG3 0.00 -0.02 0.03 -0.04 1.46 1.43 2ooeA1 LYS 311 HD2 0.00 -0.04 0.11 -0.04 1.69 1.72 2ooeA1 LYS 311 HD3 0.00 -0.01 0.07 -0.04 1.68 1.70 2ooeA1 LYS 311 HE2 0.00 -0.02 0.12 -0.04 2.99 3.06 2ooeA1 LYS 311 HE3 0.00 0.09 0.22 -0.04 2.99 3.27 2ooeA1 GLY 312 H -0.00 0.25 -1.30 -0.55 8.43 6.83 2ooeA1 GLY 312 HA2 -0.01 0.05 0.25 -0.51 4.01 3.80 2ooeA1 GLY 312 HA3 -0.01 0.08 0.46 -0.51 4.01 4.04 2ooeA1 ASP 313 H -0.01 0.21 -0.56 -0.55 8.40 7.49 2ooeA1 ASP 313 HA -0.02 -0.03 0.46 -0.75 4.63 4.29 2ooeA1 ASP 313 HB2 -0.02 0.07 0.09 -0.04 2.71 2.80 2ooeA1 ASP 313 HB3 -0.03 0.07 0.15 -0.04 2.70 2.85 2ooeA1 MET 314 H -0.02 0.28 0.31 -0.55 8.47 8.49 2ooeA1 MET 314 HA -0.02 0.17 0.55 -0.75 4.52 4.46 2ooeA1 MET 314 HB2 -0.02 -0.04 0.15 -0.04 2.15 2.21 2ooeA1 MET 314 HB3 -0.02 -0.01 0.03 -0.04 2.03 1.99 2ooeA1 MET 314 HG2 -0.01 0.31 0.05 -0.04 2.63 2.94 2ooeA1 MET 314 HG3 -0.01 -0.01 0.04 -0.04 2.56 2.54 2ooeA1 MET 314 HE3 -0.01 -0.02 0.03 -0.04 2.10 2.06 2ooeA1 ASN 315 H -0.04 0.14 0.09 -0.55 8.53 8.17 2ooeA1 ASN 315 HA -0.04 0.14 0.50 -0.75 4.76 4.60 2ooeA1 ASN 315 HB2 -0.04 -0.06 0.17 -0.04 2.88 2.90 2ooeA1 ASN 315 HB3 -0.04 0.07 -0.00 -0.04 2.79 2.77 2ooeA1 ASN 315 HD21 -0.02 0.05 0.04 -0.04 7.03 7.06 2ooeA1 ASN 315 HD22 -0.02 -0.00 0.06 -0.04 7.74 7.74 2ooeA1 ASN 316 H -0.08 0.10 -0.10 -0.55 8.53 7.90 2ooeA1 ASN 316 HA -0.21 0.07 0.27 -0.75 4.76 4.13 2ooeA1 ASN 316 HB2 -0.10 -0.03 0.08 -0.04 2.88 2.78 2ooeA1 ASN 316 HB3 -0.14 0.09 -0.08 -0.04 2.79 2.61 2ooeA1 ASN 316 HD21 -0.32 -0.01 0.07 -0.04 7.03 6.73 2ooeA1 ASN 316 HD22 -0.66 0.04 0.20 -0.04 7.74 7.28 2ooeA1 ALA 317 H -0.10 0.05 -1.54 -0.55 8.40 6.26 2ooeA1 ALA 317 HA -0.14 0.15 0.80 -0.75 4.34 4.39 2ooeA1 ALA 317 HB3 -0.03 0.11 0.05 -0.04 1.41 1.50 2ooeA1 LYS 318 H -0.04 0.60 0.23 -0.55 8.42 8.66 2ooeA1 LYS 318 HA 0.02 0.00 0.35 -0.75 4.32 3.95 2ooeA1 LYS 318 HB2 -0.01 0.05 0.11 -0.04 1.87 1.97 2ooeA1 LYS 318 HB3 0.01 -0.02 0.14 -0.04 1.79 1.88 2ooeA1 LYS 318 HG2 -0.01 0.23 0.18 -0.04 1.46 1.81 2ooeA1 LYS 318 HG3 -0.01 -0.02 0.06 -0.04 1.46 1.46 2ooeA1 LYS 318 HD2 0.01 0.01 0.05 -0.04 1.69 1.71 2ooeA1 LYS 318 HD3 0.01 -0.07 0.01 -0.04 1.68 1.58 2ooeA1 LYS 318 HE2 -0.01 0.02 0.05 -0.04 2.99 3.02 2ooeA1 LYS 318 HE3 -0.00 0.00 0.03 -0.04 2.99 2.97 2ooeA1 LEU 319 H -0.10 0.16 -1.12 -0.55 8.37 6.76 2ooeA1 LEU 319 HA 0.01 0.06 0.43 -0.75 4.35 4.10 2ooeA1 LEU 319 HB2 -0.13 0.05 -0.04 -0.04 1.64 1.48 2ooeA1 LEU 319 HB3 -0.36 0.09 -0.03 -0.04 1.64 1.30 2ooeA1 LEU 319 HG 0.06 -0.02 -0.19 -0.04 1.64 1.45 2ooeA1 LEU 319 HD13 0.00 -0.00 -0.04 -0.04 0.93 0.84 2ooeA1 LEU 319 HD23 -0.19 0.00 -0.04 -0.04 0.89 0.63 2ooeA1 PHE 320 H -0.12 0.34 0.03 -0.55 8.34 8.03 2ooeA1 PHE 320 HA 0.03 0.00 0.40 -0.75 4.62 4.30 2ooeA1 PHE 320 HB2 0.01 0.11 0.15 -0.04 3.15 3.38 2ooeA1 PHE 320 HB3 0.00 0.05 0.00 -0.04 3.06 3.08 2ooeA1 PHE 320 HD2 0.00 0.00 -0.11 -0.04 7.28 7.13 2ooeA1 PHE 320 HE2 0.01 -0.03 -0.03 -0.04 7.38 7.29 2ooeA1 PHE 320 HZ 0.02 -0.03 0.06 -0.04 7.32 7.32 2ooeA1 SER 321 H 0.15 0.50 -0.27 -0.55 8.46 8.29 2ooeA1 SER 321 HA 0.23 0.04 0.35 -0.75 4.49 4.36 2ooeA1 SER 321 HB2 0.10 -0.01 -0.02 -0.04 3.95 3.99 2ooeA1 SER 321 HB3 0.08 0.03 0.06 -0.04 3.93 4.06 2ooeA1 ASP 322 H 0.11 0.47 -0.28 -0.55 8.40 8.16 2ooeA1 ASP 322 HA 0.14 0.01 0.44 -0.75 4.63 4.46 2ooeA1 ASP 322 HB2 0.08 0.22 0.29 -0.04 2.71 3.26 2ooeA1 ASP 322 HB3 0.08 -0.06 -0.02 -0.04 2.70 2.66 2ooeA1 GLU 323 H 0.15 0.60 -0.12 -0.55 8.60 8.68 2ooeA1 GLU 323 HA 0.09 0.03 0.47 -0.75 4.29 4.12 2ooeA1 GLU 323 HB2 0.16 0.14 0.07 -0.04 2.09 2.41 2ooeA1 GLU 323 HB3 0.14 0.02 0.07 -0.04 1.99 2.18 2ooeA1 GLU 323 HG2 0.08 -0.03 0.01 -0.04 2.34 2.36 2ooeA1 GLU 323 HG3 0.11 0.01 -0.05 -0.04 2.34 2.37 2ooeA1 ALA 324 H 0.11 0.81 -0.09 -0.55 8.40 8.69 2ooeA1 ALA 324 HA -0.06 -0.04 0.38 -0.75 4.34 3.87 2ooeA1 ALA 324 HB3 -0.05 0.06 0.07 -0.04 1.41 1.45 2ooeA1 ALA 325 H 0.18 0.35 -0.65 -0.55 8.40 7.73 2ooeA1 ALA 325 HA 0.20 0.02 0.49 -0.75 4.34 4.29 2ooeA1 ALA 325 HB3 0.38 0.07 0.08 -0.04 1.41 1.91 2ooeA1 ASN 326 H 0.09 0.48 -0.16 -0.55 8.53 8.39 2ooeA1 ASN 326 HA 0.02 -0.03 0.47 -0.75 4.76 4.46 2ooeA1 ASN 326 HB2 0.07 0.04 0.20 -0.04 2.88 3.14 2ooeA1 ASN 326 HB3 0.04 0.03 0.02 -0.04 2.79 2.84 2ooeA1 ASN 326 HD21 0.04 -0.01 -0.02 -0.04 7.03 7.00 2ooeA1 ASN 326 HD22 0.06 0.03 -0.01 -0.04 7.74 7.77 2ooeA1 ILE 327 H -0.02 0.38 -0.30 -0.55 8.25 7.76 2ooeA1 ILE 327 HA 0.05 0.04 0.41 -0.75 4.18 3.92 2ooeA1 ILE 327 HB -0.23 0.17 0.11 -0.04 1.89 1.89 2ooeA1 ILE 327 HG12 -0.05 0.04 -0.06 -0.04 1.49 1.39 2ooeA1 ILE 327 HG13 -0.14 -0.02 -0.06 -0.04 1.21 0.95 2ooeA1 ILE 327 HG23 -0.07 -0.02 -0.07 -0.04 0.93 0.72 2ooeA1 ILE 327 HD13 -0.07 -0.00 -0.06 -0.04 0.88 0.70 2ooeA1 TYR 328 H -0.08 0.32 -0.34 -0.55 8.29 7.64 2ooeA1 TYR 328 HA -0.35 -0.01 0.40 -0.75 4.56 3.85 2ooeA1 TYR 328 HB2 -0.92 0.27 0.20 -0.04 3.06 2.58 2ooeA1 TYR 328 HB3 -1.33 -0.04 -0.03 -0.04 2.98 1.54 2ooeA1 TYR 328 HD2 -0.22 0.19 0.09 -0.04 7.15 7.16 2ooeA1 TYR 328 HE2 -0.18 -0.06 -0.13 -0.04 6.85 6.44 2ooeA1 GLU 329 H -0.37 0.40 -0.04 -0.55 8.60 8.04 2ooeA1 GLU 329 HA -0.32 0.01 0.27 -0.75 4.29 3.50 2ooeA1 GLU 329 HB2 -0.08 0.03 0.17 -0.04 2.09 2.17 2ooeA1 GLU 329 HB3 -0.07 0.03 -0.07 -0.04 1.99 1.83 2ooeA1 GLU 329 HG2 0.15 -0.01 0.01 -0.04 2.34 2.45 2ooeA1 GLU 329 HG3 0.08 -0.02 -0.02 -0.04 2.34 2.34 2ooeA1 ARG 330 H -0.15 0.56 -0.18 -0.55 8.46 8.13 2ooeA1 ARG 330 HA -0.15 0.02 0.27 -0.75 4.34 3.73 2ooeA1 ARG 330 HB2 -0.01 0.10 0.14 -0.04 1.90 2.08 2ooeA1 ARG 330 HB3 -0.03 -0.03 -0.05 -0.04 1.80 1.65 2ooeA1 ARG 330 HG2 0.01 -0.02 -0.01 -0.04 1.67 1.61 2ooeA1 ARG 330 HG3 -0.01 0.01 0.05 -0.04 1.67 1.67 2ooeA1 ARG 330 HD2 0.06 -0.02 -0.05 -0.04 3.22 3.17 2ooeA1 ARG 330 HD3 0.08 0.02 -0.08 -0.04 3.22 3.19 2ooeA1 ALA 331 H -0.67 0.52 -0.14 -0.55 8.40 7.56 2ooeA1 ALA 331 HA -1.94 -0.06 0.42 -0.75 4.34 2.00 2ooeA1 ALA 331 HB3 -1.16 0.01 0.13 -0.04 1.41 0.35 2ooeA1 ILE 332 H -0.46 0.62 -0.18 -0.55 8.25 7.68 2ooeA1 ILE 332 HA -0.22 0.52 0.66 -0.75 4.18 4.39 2ooeA1 ILE 332 HB -0.33 -0.04 0.15 -0.04 1.89 1.63 2ooeA1 ILE 332 HG12 -0.50 -0.03 -0.15 -0.04 1.49 0.77 2ooeA1 ILE 332 HG13 -0.32 0.35 -0.12 -0.04 1.21 1.08 2ooeA1 ILE 332 HG23 -0.34 -0.03 -0.13 -0.04 0.93 0.39 2ooeA1 ILE 332 HD13 -0.55 -0.05 -0.07 -0.04 0.88 0.17 2ooeA1 SER 333 H -0.30 0.41 -0.59 -0.55 8.46 7.44 2ooeA1 SER 333 HA -0.07 0.16 0.94 -0.75 4.49 4.76 2ooeA1 SER 333 HB2 -0.13 0.03 -0.04 -0.04 3.95 3.77 2ooeA1 SER 333 HB3 -0.06 -0.10 0.08 -0.04 3.93 3.80 2ooeA1 THR 334 H -0.25 0.14 -0.11 -0.55 8.28 7.51 2ooeA1 THR 334 HA -0.05 0.23 0.97 -0.75 4.39 4.79 2ooeA1 THR 334 HB -0.01 0.01 0.06 -0.04 4.32 4.34 2ooeA1 THR 334 HG23 -0.08 0.12 -0.13 -0.04 1.22 1.09 2ooeA1 LEU 335 H -0.20 0.13 0.15 -0.55 8.37 7.91 2ooeA1 LEU 335 HA -0.10 0.17 0.56 -0.75 4.35 4.23 2ooeA1 LEU 335 HB2 -0.18 0.08 0.13 -0.04 1.64 1.62 2ooeA1 LEU 335 HB3 -0.67 -0.03 -0.02 -0.04 1.64 0.87 2ooeA1 LEU 335 HG -0.02 -0.05 -0.00 -0.04 1.64 1.52 2ooeA1 LEU 335 HD13 0.08 -0.04 -0.02 -0.04 0.93 0.91 2ooeA1 LEU 335 HD23 -0.09 -0.01 -0.04 -0.04 0.89 0.72 2ooeA1 LEU 336 H -0.30 0.44 -0.04 -0.55 8.37 7.92 2ooeA1 LEU 336 HA -0.06 0.12 0.91 -0.75 4.35 4.57 2ooeA1 LEU 336 HB2 -0.31 0.10 0.12 -0.04 1.64 1.50 2ooeA1 LEU 336 HB3 -0.10 -0.17 0.07 -0.04 1.64 1.40 2ooeA1 LEU 336 HG -0.21 0.04 -0.31 -0.04 1.64 1.12 2ooeA1 LEU 336 HD13 -0.12 -0.05 -0.15 -0.04 0.93 0.57 2ooeA1 LEU 336 HD23 0.04 0.03 -0.03 -0.04 0.89 0.89 2ooeA1 LYS 337 H -0.03 0.23 -0.10 -0.55 8.42 7.97 2ooeA1 LYS 337 HA 0.03 0.36 0.52 -0.75 4.32 4.48 2ooeA1 LYS 337 HB2 -0.00 -0.06 -0.01 -0.04 1.87 1.76 2ooeA1 LYS 337 HB3 0.02 0.03 0.01 -0.04 1.79 1.81 2ooeA1 LYS 337 HG2 -0.04 -0.01 -0.44 -0.04 1.46 0.94 2ooeA1 LYS 337 HG3 -0.02 0.07 -0.17 -0.04 1.46 1.30 2ooeA1 LYS 337 HD2 0.00 -0.08 -0.04 -0.04 1.69 1.54 2ooeA1 LYS 337 HD3 0.00 -0.01 -0.05 -0.04 1.68 1.58 2ooeA1 LYS 337 HE2 0.01 0.02 -0.01 -0.04 2.99 2.96 2ooeA1 LYS 337 HE3 0.01 -0.08 -0.01 -0.04 2.99 2.87 2ooeA1 LYS 338 H -0.02 0.08 -0.06 -0.55 8.42 7.86 2ooeA1 LYS 338 HA -0.16 0.28 0.81 -0.75 4.32 4.50 2ooeA1 LYS 338 HB2 -0.04 -0.01 0.11 -0.04 1.87 1.89 2ooeA1 LYS 338 HB3 -0.08 -0.05 0.25 -0.04 1.79 1.88 2ooeA1 LYS 338 HG2 -0.07 0.09 0.02 -0.04 1.46 1.46 2ooeA1 LYS 338 HG3 -0.04 -0.03 -0.10 -0.04 1.46 1.26 2ooeA1 LYS 338 HD2 -0.01 -0.03 0.05 -0.04 1.69 1.66 2ooeA1 LYS 338 HD3 -0.03 -0.02 0.10 -0.04 1.68 1.68 2ooeA1 LYS 338 HE2 -0.01 -0.05 0.06 -0.04 2.99 2.95 2ooeA1 LYS 338 HE3 -0.03 0.31 0.12 -0.04 2.99 3.35 2ooeA1 ASN 339 H -0.01 0.34 -0.57 -0.55 8.53 7.74 2ooeA1 ASN 339 HA -0.10 0.14 0.81 -0.75 4.76 4.87 2ooeA1 ASN 339 HB2 -0.04 0.06 -0.03 -0.04 2.88 2.83 2ooeA1 ASN 339 HB3 -0.03 0.16 0.10 -0.04 2.79 2.98 2ooeA1 ASN 339 HD21 -0.04 -0.04 0.02 -0.04 7.03 6.93 2ooeA1 ASN 339 HD22 -0.04 0.13 0.01 -0.04 7.74 7.80 2ooeA1 MET 340 H -0.22 0.31 0.14 -0.55 8.47 8.15 2ooeA1 MET 340 HA -0.51 0.09 0.26 -0.75 4.52 3.61 2ooeA1 MET 340 HB2 -0.36 -0.01 0.08 -0.04 2.15 1.82 2ooeA1 MET 340 HB3 -1.06 -0.01 -0.00 -0.04 2.03 0.92 2ooeA1 MET 340 HG2 -0.31 0.05 0.01 -0.04 2.63 2.33 2ooeA1 MET 340 HG3 -0.22 0.11 0.10 -0.04 2.56 2.51 2ooeA1 MET 340 HE3 -0.07 0.05 0.02 -0.04 2.10 2.05 2ooeA1 LEU 341 H -0.20 0.10 -0.28 -0.55 8.37 7.44 2ooeA1 LEU 341 HA -0.14 0.07 0.39 -0.75 4.35 3.91 2ooeA1 LEU 341 HB2 -0.09 0.02 0.08 -0.04 1.64 1.61 2ooeA1 LEU 341 HB3 -0.06 -0.03 0.07 -0.04 1.64 1.57 2ooeA1 LEU 341 HG -0.08 0.02 -0.16 -0.04 1.64 1.37 2ooeA1 LEU 341 HD13 -0.05 0.00 0.00 -0.04 0.93 0.85 2ooeA1 LEU 341 HD23 -0.06 0.00 -0.03 -0.04 0.89 0.76 2ooeA1 LEU 342 H -0.04 0.19 -0.10 -0.55 8.37 7.87 2ooeA1 LEU 342 HA 0.13 0.02 0.32 -0.75 4.35 4.07 2ooeA1 LEU 342 HB2 -0.06 0.15 0.02 -0.04 1.64 1.71 2ooeA1 LEU 342 HB3 -0.08 0.06 -0.00 -0.04 1.64 1.57 2ooeA1 LEU 342 HG -0.02 -0.15 0.02 -0.04 1.64 1.45 2ooeA1 LEU 342 HD13 -0.19 0.01 -0.01 -0.04 0.93 0.70 2ooeA1 LEU 342 HD23 0.04 0.03 -0.02 -0.04 0.89 0.89 2ooeA1 TYR 343 H 0.10 0.32 -0.39 -0.55 8.29 7.77 2ooeA1 TYR 343 HA 0.03 0.10 0.44 -0.75 4.56 4.37 2ooeA1 TYR 343 HB2 -0.29 -0.00 0.08 -0.04 3.06 2.81 2ooeA1 TYR 343 HB3 -0.12 -0.03 -0.07 -0.04 2.98 2.72 2ooeA1 TYR 343 HD2 -0.13 0.06 -0.10 -0.04 7.15 6.95 2ooeA1 TYR 343 HE2 -0.08 0.05 -0.01 -0.04 6.85 6.77 2ooeA1 PHE 344 H -0.12 0.74 0.05 -0.55 8.34 8.45 2ooeA1 PHE 344 HA -0.15 -0.02 0.36 -0.75 4.62 4.06 2ooeA1 PHE 344 HB2 0.03 0.11 0.18 -0.04 3.15 3.42 2ooeA1 PHE 344 HB3 0.04 -0.03 0.00 -0.04 3.06 3.03 2ooeA1 PHE 344 HD2 -0.03 -0.04 -0.07 -0.04 7.28 7.09 2ooeA1 PHE 344 HE2 0.03 -0.02 -0.06 -0.04 7.38 7.30 2ooeA1 PHE 344 HZ 0.02 -0.11 -0.23 -0.04 7.32 6.96 2ooeA1 ALA 345 H 0.18 0.77 -0.06 -0.55 8.40 8.73 2ooeA1 ALA 345 HA 0.19 -0.02 0.30 -0.75 4.34 4.06 2ooeA1 ALA 345 HB3 0.41 -0.00 0.03 -0.04 1.41 1.80 2ooeA1 TYR 346 H 0.13 0.35 -0.80 -0.55 8.29 7.42 2ooeA1 TYR 346 HA -0.93 0.01 0.55 -0.75 4.56 3.43 2ooeA1 TYR 346 HB2 -0.07 0.22 0.19 -0.04 3.06 3.35 2ooeA1 TYR 346 HB3 -0.23 0.07 0.27 -0.04 2.98 3.04 2ooeA1 TYR 346 HD2 -0.38 -0.01 0.02 -0.04 7.15 6.74 2ooeA1 TYR 346 HE2 -0.06 0.00 -0.02 -0.04 6.85 6.73 2ooeA1 ALA 347 H -0.15 0.83 0.19 -0.55 8.40 8.72 2ooeA1 ALA 347 HA -0.43 -0.06 0.36 -0.75 4.34 3.45 2ooeA1 ALA 347 HB3 -0.60 0.00 0.07 -0.04 1.41 0.84 2ooeA1 ASP 348 H -0.03 0.82 -0.26 -0.55 8.40 8.38 2ooeA1 ASP 348 HA 0.01 -0.01 0.33 -0.75 4.63 4.20 2ooeA1 ASP 348 HB2 0.08 0.10 0.04 -0.04 2.71 2.89 2ooeA1 ASP 348 HB3 0.08 -0.03 -0.07 -0.04 2.70 2.65 2ooeA1 TYR 349 H 0.02 0.45 -0.18 -0.55 8.29 8.03 2ooeA1 TYR 349 HA -0.03 -0.02 0.38 -0.75 4.56 4.13 2ooeA1 TYR 349 HB2 -0.31 0.12 0.21 -0.04 3.06 3.04 2ooeA1 TYR 349 HB3 -0.27 0.08 0.21 -0.04 2.98 2.95 2ooeA1 TYR 349 HD2 0.01 -0.01 -0.03 -0.04 7.15 7.08 2ooeA1 TYR 349 HE2 0.07 -0.00 -0.00 -0.04 6.85 6.87 2ooeA1 GLU 350 H -0.09 0.59 -0.12 -0.55 8.60 8.44 2ooeA1 GLU 350 HA -0.18 0.04 0.47 -0.75 4.29 3.87 2ooeA1 GLU 350 HB2 -0.25 0.10 -0.01 -0.04 2.09 1.89 2ooeA1 GLU 350 HB3 -0.12 -0.09 -0.02 -0.04 1.99 1.71 2ooeA1 GLU 350 HG2 -0.29 0.11 -0.04 -0.04 2.34 2.07 2ooeA1 GLU 350 HG3 -0.34 -0.05 -0.09 -0.04 2.34 1.82 2ooeA1 GLU 351 H -0.08 0.58 -0.30 -0.55 8.60 8.26 2ooeA1 GLU 351 HA 0.10 -0.08 0.31 -0.75 4.29 3.86 2ooeA1 GLU 351 HB2 -0.04 -0.06 0.02 -0.04 2.09 1.96 2ooeA1 GLU 351 HB3 0.01 0.17 0.18 -0.04 1.99 2.31 2ooeA1 GLU 351 HG2 0.05 0.03 -0.30 -0.04 2.34 2.08 2ooeA1 GLU 351 HG3 -0.09 -0.06 -0.01 -0.04 2.34 2.13 2ooeA1 SER 352 H -0.03 0.60 -0.06 -0.55 8.46 8.42 2ooeA1 SER 352 HA 0.04 0.04 0.45 -0.75 4.49 4.27 2ooeA1 SER 352 HB2 0.00 -0.06 0.07 -0.04 3.95 3.93 2ooeA1 SER 352 HB3 0.01 0.02 0.10 -0.04 3.93 4.02 2ooeA1 ARG 353 H -0.16 0.41 -0.27 -0.55 8.46 7.88 2ooeA1 ARG 353 HA -0.08 0.07 0.47 -0.75 4.34 4.04 2ooeA1 ARG 353 HB2 -0.17 0.01 0.13 -0.04 1.90 1.82 2ooeA1 ARG 353 HB3 -0.11 -0.06 0.17 -0.04 1.80 1.76 2ooeA1 ARG 353 HG2 -0.30 -0.04 -0.01 -0.04 1.67 1.29 2ooeA1 ARG 353 HG3 -0.74 0.25 0.07 -0.04 1.67 1.21 2ooeA1 ARG 353 HD2 -0.12 -0.05 -0.01 -0.04 3.22 3.00 2ooeA1 ARG 353 HD3 -0.35 0.01 -0.02 -0.04 3.22 2.81 2ooeA1 MET 354 H 0.13 0.36 -1.16 -0.55 8.47 7.25 2ooeA1 MET 354 HA 0.39 0.11 0.31 -0.75 4.52 4.58 2ooeA1 MET 354 HB2 -0.07 0.17 -0.09 -0.04 2.15 2.12 2ooeA1 MET 354 HB3 -0.26 -0.11 0.22 -0.04 2.03 1.85 2ooeA1 MET 354 HG2 -0.02 -0.05 0.04 -0.04 2.63 2.56 2ooeA1 MET 354 HG3 0.06 0.24 -0.08 -0.04 2.56 2.74 2ooeA1 MET 354 HE3 -0.00 -0.01 0.04 -0.04 2.10 2.09 2ooeA1 LYS 355 H 0.08 0.54 -0.40 -0.55 8.42 8.08 2ooeA1 LYS 355 HA 0.03 0.12 0.63 -0.75 4.32 4.34 2ooeA1 LYS 355 HB2 -0.00 0.11 0.14 -0.04 1.87 2.07 2ooeA1 LYS 355 HB3 0.01 -0.21 0.21 -0.04 1.79 1.76 2ooeA1 LYS 355 HG2 -0.00 -0.02 0.03 -0.04 1.46 1.43 2ooeA1 LYS 355 HG3 -0.02 0.23 -0.05 -0.04 1.46 1.58 2ooeA1 LYS 355 HD2 -0.03 0.04 0.03 -0.04 1.69 1.69 2ooeA1 LYS 355 HD3 -0.01 -0.09 0.05 -0.04 1.68 1.59 2ooeA1 LYS 355 HE2 0.02 -0.00 0.01 -0.04 2.99 2.98 2ooeA1 LYS 355 HE3 0.01 -0.04 0.02 -0.04 2.99 2.94 2ooeA1 TYR 356 H 0.27 0.56 -0.47 -0.55 8.29 8.10 2ooeA1 TYR 356 HA 0.18 0.02 0.14 -0.75 4.56 4.15 2ooeA1 TYR 356 HB2 0.14 0.02 0.01 -0.04 3.06 3.18 2ooeA1 TYR 356 HB3 0.29 -0.01 0.02 -0.04 2.98 3.23 2ooeA1 TYR 356 HD2 0.08 -0.12 -0.18 -0.04 7.15 6.89 2ooeA1 TYR 356 HE2 0.03 0.20 0.13 -0.04 6.85 7.17 2ooeA1 GLU 357 H 0.16 0.07 -0.66 -0.55 8.60 7.62 2ooeA1 GLU 357 HA 0.21 0.12 0.50 -0.75 4.29 4.36 2ooeA1 GLU 357 HB2 0.08 0.03 0.04 -0.04 2.09 2.20 2ooeA1 GLU 357 HB3 0.06 -0.03 0.07 -0.04 1.99 2.05 2ooeA1 GLU 357 HG2 0.04 0.02 -0.03 -0.04 2.34 2.33 2ooeA1 GLU 357 HG3 0.05 -0.01 -0.17 -0.04 2.34 2.17 2ooeA1 LYS 358 H 0.05 0.23 0.03 -0.55 8.42 8.17 2ooeA1 LYS 358 HA -0.02 0.04 0.37 -0.75 4.32 3.95 2ooeA1 LYS 358 HB2 -0.03 -0.00 0.13 -0.04 1.87 1.93 2ooeA1 LYS 358 HB3 -0.09 0.09 0.06 -0.04 1.79 1.80 2ooeA1 LYS 358 HG2 -0.24 -0.04 -0.13 -0.04 1.46 1.01 2ooeA1 LYS 358 HG3 -0.07 0.00 0.02 -0.04 1.46 1.37 2ooeA1 LYS 358 HD2 -0.02 0.01 -0.00 -0.04 1.69 1.64 2ooeA1 LYS 358 HD3 -0.14 0.00 -0.04 -0.04 1.68 1.47 2ooeA1 LYS 358 HE2 -0.20 -0.02 -0.07 -0.04 2.99 2.67 2ooeA1 LYS 358 HE3 0.02 0.01 -0.04 -0.04 2.99 2.94 2ooeA1 VAL 359 H -0.04 0.38 -0.32 -0.55 8.24 7.71 2ooeA1 VAL 359 HA -0.34 0.00 0.31 -0.75 4.13 3.35 2ooeA1 VAL 359 HB -0.34 0.11 -0.05 -0.04 2.12 1.80 2ooeA1 VAL 359 HG13 -1.05 -0.02 -0.13 -0.04 0.97 -0.27 2ooeA1 VAL 359 HG23 -0.15 0.07 -0.21 -0.04 0.95 0.62 2ooeA1 HIS 360 H 0.10 0.38 -0.40 -0.55 8.41 7.95 2ooeA1 HIS 360 HA -0.01 -0.03 0.32 -0.75 4.63 4.16 2ooeA1 HIS 360 HB2 0.10 0.34 0.20 -0.04 3.26 3.86 2ooeA1 HIS 360 HB3 0.13 -0.05 -0.06 -0.04 3.20 3.18 2ooeA1 HIS 360 HD2 0.28 0.32 0.10 -0.04 6.97 7.63 2ooeA1 HIS 360 HE1 0.18 -0.04 -0.03 -0.04 7.75 7.82 2ooeA1 SER 361 H 0.06 0.35 -0.15 -0.55 8.46 8.17 2ooeA1 SER 361 HA 0.05 0.01 0.39 -0.75 4.49 4.19 2ooeA1 SER 361 HB2 0.01 -0.02 0.01 -0.04 3.95 3.91 2ooeA1 SER 361 HB3 0.03 -0.02 0.07 -0.04 3.93 3.97 2ooeA1 ILE 362 H -0.17 0.60 -0.15 -0.55 8.25 7.98 2ooeA1 ILE 362 HA -0.09 0.04 0.36 -0.75 4.18 3.73 2ooeA1 ILE 362 HB -0.45 0.08 0.15 -0.04 1.89 1.64 2ooeA1 ILE 362 HG12 -0.48 -0.01 -0.04 -0.04 1.49 0.91 2ooeA1 ILE 362 HG13 -0.37 0.30 -0.02 -0.04 1.21 1.07 2ooeA1 ILE 362 HG23 -0.24 -0.02 -0.07 -0.04 0.93 0.56 2ooeA1 ILE 362 HD13 -1.19 -0.03 -0.20 -0.04 0.88 -0.58 2ooeA1 TYR 363 H -0.23 0.59 -0.03 -0.55 8.29 8.07 2ooeA1 TYR 363 HA -0.11 -0.03 0.39 -0.75 4.56 4.05 2ooeA1 TYR 363 HB2 -1.20 0.14 0.12 -0.04 3.06 2.09 2ooeA1 TYR 363 HB3 -0.99 -0.06 -0.01 -0.04 2.98 1.87 2ooeA1 TYR 363 HD2 -0.44 0.11 -0.05 -0.04 7.15 6.73 2ooeA1 TYR 363 HE2 -0.57 -0.04 -0.15 -0.04 6.85 6.05 2ooeA1 ASN 364 H -0.03 0.52 -0.30 -0.55 8.53 8.17 2ooeA1 ASN 364 HA 0.08 0.01 0.48 -0.75 4.76 4.58 2ooeA1 ASN 364 HB2 0.08 0.12 0.12 -0.04 2.88 3.16 2ooeA1 ASN 364 HB3 0.09 -0.03 -0.01 -0.04 2.79 2.81 2ooeA1 ASN 364 HD21 0.39 -0.08 -0.05 -0.04 7.03 7.24 2ooeA1 ASN 364 HD22 0.21 0.06 -0.14 -0.04 7.74 7.83 2ooeA1 ARG 365 H 0.05 0.51 -0.16 -0.55 8.46 8.31 2ooeA1 ARG 365 HA 0.06 0.04 0.48 -0.75 4.34 4.16 2ooeA1 ARG 365 HB2 0.07 0.03 0.11 -0.04 1.90 2.07 2ooeA1 ARG 365 HB3 0.21 0.08 0.14 -0.04 1.80 2.19 2ooeA1 ARG 365 HG2 0.16 0.02 -0.12 -0.04 1.67 1.69 2ooeA1 ARG 365 HG3 0.07 -0.04 0.04 -0.04 1.67 1.70 2ooeA1 ARG 365 HD2 0.05 -0.05 -0.03 -0.04 3.22 3.15 2ooeA1 ARG 365 HD3 0.08 -0.01 -0.03 -0.04 3.22 3.23 2ooeA1 LEU 366 H 0.08 0.36 -0.19 -0.55 8.37 8.09 2ooeA1 LEU 366 HA -0.37 0.10 0.39 -0.75 4.35 3.71 2ooeA1 LEU 366 HB2 -0.40 0.04 0.09 -0.04 1.64 1.33 2ooeA1 LEU 366 HB3 -0.12 0.10 0.11 -0.04 1.64 1.68 2ooeA1 LEU 366 HG -0.29 -0.03 -0.17 -0.04 1.64 1.11 2ooeA1 LEU 366 HD13 -1.00 0.01 -0.06 -0.04 0.93 -0.17 2ooeA1 LEU 366 HD23 -0.30 -0.05 -0.04 -0.04 0.89 0.45 2ooeA1 LEU 367 H -0.03 0.40 -0.15 -0.55 8.37 8.04 2ooeA1 LEU 367 HA -0.10 -0.04 0.33 -0.75 4.35 3.79 2ooeA1 LEU 367 HB2 0.05 0.08 0.10 -0.04 1.64 1.83 2ooeA1 LEU 367 HB3 0.03 -0.02 -0.04 -0.04 1.64 1.57 2ooeA1 LEU 367 HG -0.05 0.11 0.03 -0.04 1.64 1.69 2ooeA1 LEU 367 HD13 0.28 -0.03 -0.13 -0.04 0.93 1.01 2ooeA1 LEU 367 HD23 -0.64 -0.03 -0.05 -0.04 0.89 0.12 2ooeA1 ALA 368 H 0.01 0.34 -0.54 -0.55 8.40 7.66 2ooeA1 ALA 368 HA 0.03 -0.07 0.28 -0.75 4.34 3.82 2ooeA1 ALA 368 HB3 0.03 0.07 0.12 -0.04 1.41 1.59 2ooeA1 ILE 369 H -0.04 0.34 -0.43 -0.55 8.25 7.57 2ooeA1 ILE 369 HA -0.01 -0.10 0.41 -0.75 4.18 3.72 2ooeA1 ILE 369 HB -0.10 0.15 0.07 -0.04 1.89 1.97 2ooeA1 ILE 369 HG12 -0.02 -0.07 0.01 -0.04 1.49 1.37 2ooeA1 ILE 369 HG13 -0.05 0.18 0.09 -0.04 1.21 1.40 2ooeA1 ILE 369 HG23 -0.04 -0.06 -0.18 -0.04 0.93 0.60 2ooeA1 ILE 369 HD13 -0.09 -0.04 -0.01 -0.04 0.88 0.70 2ooeA1 GLU 370 H -0.01 0.06 0.21 -0.55 8.60 8.32 2ooeA1 GLU 370 HA 0.00 0.07 0.41 -0.75 4.29 4.01 2ooeA1 GLU 370 HB2 -0.00 -0.09 0.19 -0.04 2.09 2.15 2ooeA1 GLU 370 HB3 0.00 -0.02 0.04 -0.04 1.99 1.98 2ooeA1 GLU 370 HG2 0.00 0.06 0.18 -0.04 2.34 2.54 2ooeA1 GLU 370 HG3 0.00 -0.03 0.09 -0.04 2.34 2.37 2ooeA1 ASP 371 H -0.01 0.07 -0.06 -0.55 8.40 7.85 2ooeA1 ASP 371 HA -0.01 0.25 1.21 -0.75 4.63 5.33 2ooeA1 ASP 371 HB2 -0.00 -0.01 0.04 -0.04 2.71 2.70 2ooeA1 ASP 371 HB3 -0.00 -0.03 -0.01 -0.04 2.70 2.62 2ooeA1 ILE 372 H -0.02 0.64 0.35 -0.55 8.25 8.67 2ooeA1 ILE 372 HA -0.05 0.05 0.42 -0.75 4.18 3.85 2ooeA1 ILE 372 HB -0.10 -0.15 0.05 -0.04 1.89 1.65 2ooeA1 ILE 372 HG12 -0.06 0.25 -0.22 -0.04 1.49 1.42 2ooeA1 ILE 372 HG13 -0.06 -0.17 -0.58 -0.04 1.21 0.36 2ooeA1 ILE 372 HG23 -0.10 0.02 -0.22 -0.04 0.93 0.59 2ooeA1 ILE 372 HD13 -0.14 0.02 -0.18 -0.04 0.88 0.54 2ooeA1 ASP 373 H -0.05 0.17 0.07 -0.55 8.40 8.04 2ooeA1 ASP 373 HA -0.00 0.27 0.87 -0.75 4.63 5.02 2ooeA1 ASP 373 HB2 -0.02 0.09 0.11 -0.04 2.71 2.85 2ooeA1 ASP 373 HB3 -0.04 -0.05 0.26 -0.04 2.70 2.83 2ooeA1 PRO 374 HA -0.13 0.05 0.27 -0.51 4.44 4.12 2ooeA1 PRO 374 HB2 0.09 -0.02 -0.05 -0.04 2.28 2.25 2ooeA1 PRO 374 HB3 -0.26 0.10 0.05 -0.04 2.02 1.87 2ooeA1 PRO 374 HG2 0.06 0.03 0.05 -0.04 2.03 2.13 2ooeA1 PRO 374 HG3 -0.03 0.22 -0.02 -0.04 2.03 2.16 2ooeA1 PRO 374 HD2 0.05 0.03 0.02 -0.04 3.68 3.73 2ooeA1 PRO 374 HD3 0.00 0.68 0.26 -0.04 3.65 4.55 2ooeA1 THR 375 H 0.03 0.15 -0.48 -0.55 8.28 7.43 2ooeA1 THR 375 HA 0.18 0.07 0.32 -0.75 4.39 4.20 2ooeA1 THR 375 HB -0.10 0.04 0.10 -0.04 4.32 4.32 2ooeA1 THR 375 HG23 -0.08 0.00 -0.14 -0.04 1.22 0.97 2ooeA1 LEU 376 H -0.01 0.27 -0.04 -0.55 8.37 8.04 2ooeA1 LEU 376 HA 0.04 0.05 0.42 -0.75 4.35 4.10 2ooeA1 LEU 376 HB2 0.02 0.01 0.13 -0.04 1.64 1.76 2ooeA1 LEU 376 HB3 0.13 0.03 0.07 -0.04 1.64 1.83 2ooeA1 LEU 376 HG 0.29 -0.01 -0.11 -0.04 1.64 1.77 2ooeA1 LEU 376 HD13 0.06 0.00 0.01 -0.04 0.93 0.96 2ooeA1 LEU 376 HD23 0.13 0.01 -0.02 -0.04 0.89 0.97 2ooeA1 VAL 377 H 0.08 0.20 -0.19 -0.55 8.24 7.77 2ooeA1 VAL 377 HA 0.35 -0.00 0.36 -0.75 4.13 4.09 2ooeA1 VAL 377 HB -0.15 0.15 0.09 -0.04 2.12 2.17 2ooeA1 VAL 377 HG13 0.18 -0.00 -0.06 -0.04 0.97 1.05 2ooeA1 VAL 377 HG23 0.04 0.00 -0.02 -0.04 0.95 0.92 2ooeA1 TYR 378 H -0.05 0.63 -0.12 -0.55 8.29 8.20 2ooeA1 TYR 378 HA 0.12 0.03 0.40 -0.75 4.56 4.36 2ooeA1 TYR 378 HB2 0.04 0.10 0.11 -0.04 3.06 3.27 2ooeA1 TYR 378 HB3 0.02 -0.04 -0.06 -0.04 2.98 2.86 2ooeA1 TYR 378 HD2 0.07 -0.08 -0.08 -0.04 7.15 7.02 2ooeA1 TYR 378 HE2 0.08 -0.01 -0.06 -0.04 6.85 6.82 2ooeA1 ILE 379 H 0.11 0.54 -0.13 -0.55 8.25 8.22 2ooeA1 ILE 379 HA -0.00 -0.02 0.34 -0.75 4.18 3.75 2ooeA1 ILE 379 HB 0.02 0.15 0.20 -0.04 1.89 2.22 2ooeA1 ILE 379 HG12 0.01 -0.06 -0.02 -0.04 1.49 1.38 2ooeA1 ILE 379 HG13 0.07 0.21 0.08 -0.04 1.21 1.52 2ooeA1 ILE 379 HG23 -0.01 -0.02 -0.09 -0.04 0.93 0.77 2ooeA1 ILE 379 HD13 0.03 -0.07 -0.24 -0.04 0.88 0.57 2ooeA1 GLN 380 H -0.05 0.62 -0.13 -0.55 8.47 8.36 2ooeA1 GLN 380 HA -0.17 0.04 0.45 -0.75 4.36 3.93 2ooeA1 GLN 380 HB2 -0.66 0.00 0.05 -0.04 2.15 1.50 2ooeA1 GLN 380 HB3 -0.44 0.08 0.12 -0.04 2.02 1.74 2ooeA1 GLN 380 HG2 -2.40 -0.05 -0.02 -0.04 2.40 -0.11 2ooeA1 GLN 380 HG3 -0.25 -0.00 -0.13 -0.04 2.39 1.97 2ooeA1 GLN 380 HE21 -0.05 0.02 -0.03 -0.04 6.97 6.87 2ooeA1 GLN 380 HE22 -0.04 -0.00 -0.04 -0.04 7.69 7.57 2ooeA1 TYR 381 H 0.00 0.78 -0.05 -0.55 8.29 8.47 2ooeA1 TYR 381 HA -1.39 0.01 0.47 -0.75 4.56 2.90 2ooeA1 TYR 381 HB2 -0.21 0.11 0.12 -0.04 3.06 3.04 2ooeA1 TYR 381 HB3 -0.08 0.03 0.20 -0.04 2.98 3.10 2ooeA1 TYR 381 HD2 -0.19 -0.03 -0.01 -0.04 7.15 6.88 2ooeA1 TYR 381 HE2 -0.07 0.01 -0.07 -0.04 6.85 6.67 2ooeA1 MET 382 H -0.02 0.94 0.05 -0.55 8.47 8.89 2ooeA1 MET 382 HA -0.19 -0.03 0.41 -0.75 4.52 3.96 2ooeA1 MET 382 HB2 -0.07 -0.01 0.05 -0.04 2.15 2.08 2ooeA1 MET 382 HB3 -0.07 0.10 0.03 -0.04 2.03 2.05 2ooeA1 MET 382 HG2 -0.14 -0.02 -0.13 -0.04 2.63 2.30 2ooeA1 MET 382 HG3 -0.12 0.05 0.09 -0.04 2.56 2.54 2ooeA1 MET 382 HE3 -0.43 0.00 -0.07 -0.04 2.10 1.56 2ooeA1 LYS 383 H -0.07 0.30 -0.64 -0.55 8.42 7.45 2ooeA1 LYS 383 HA -0.08 0.01 0.49 -0.75 4.32 3.98 2ooeA1 LYS 383 HB2 -0.05 0.05 0.08 -0.04 1.87 1.90 2ooeA1 LYS 383 HB3 -0.05 0.14 0.13 -0.04 1.79 1.96 2ooeA1 LYS 383 HG2 -0.03 0.01 -0.27 -0.04 1.46 1.13 2ooeA1 LYS 383 HG3 -0.03 -0.04 -0.01 -0.04 1.46 1.34 2ooeA1 LYS 383 HD2 -0.03 0.01 -0.04 -0.04 1.69 1.58 2ooeA1 LYS 383 HD3 -0.01 -0.02 -0.06 -0.04 1.68 1.55 2ooeA1 LYS 383 HE2 -0.04 0.10 -0.05 -0.04 2.99 2.96 2ooeA1 LYS 383 HE3 -0.02 -0.05 -0.06 -0.04 2.99 2.82 2ooeA1 PHE 384 H 0.02 0.40 -0.15 -0.55 8.34 8.05 2ooeA1 PHE 384 HA -0.11 0.05 0.38 -0.75 4.62 4.19 2ooeA1 PHE 384 HB2 -0.06 -0.03 0.04 -0.04 3.15 3.06 2ooeA1 PHE 384 HB3 -0.31 0.13 0.22 -0.04 3.06 3.07 2ooeA1 PHE 384 HD2 -0.16 0.06 -0.05 -0.04 7.28 7.09 2ooeA1 PHE 384 HE2 -0.54 -0.01 -0.10 -0.04 7.38 6.69 2ooeA1 PHE 384 HZ -0.17 0.07 -0.05 -0.04 7.32 7.12 2ooeA1 ALA 385 H -0.11 0.64 -0.11 -0.55 8.40 8.27 2ooeA1 ALA 385 HA -0.88 0.02 0.24 -0.75 4.34 2.96 2ooeA1 ALA 385 HB3 -0.19 0.01 -0.07 -0.04 1.41 1.12 2ooeA1 ARG 386 H -0.19 0.49 -0.14 -0.55 8.46 8.07 2ooeA1 ARG 386 HA -0.13 0.08 0.15 -0.75 4.34 3.69 2ooeA1 ARG 386 HB2 -0.12 0.11 0.13 -0.04 1.90 1.98 2ooeA1 ARG 386 HB3 -0.11 0.04 0.08 -0.04 1.80 1.77 2ooeA1 ARG 386 HG2 -0.07 -0.07 -0.19 -0.04 1.67 1.29 2ooeA1 ARG 386 HG3 -0.08 -0.06 -0.05 -0.04 1.67 1.44 2ooeA1 ARG 386 HD2 -0.05 -0.04 -0.06 -0.04 3.22 3.03 2ooeA1 ARG 386 HD3 -0.07 0.01 -0.04 -0.04 3.22 3.08 2ooeA1 ARG 387 H -0.15 0.36 -0.21 -0.55 8.46 7.90 2ooeA1 ARG 387 HA -0.09 -0.04 0.30 -0.75 4.34 3.75 2ooeA1 ARG 387 HB2 -0.07 -0.08 0.12 -0.04 1.90 1.83 2ooeA1 ARG 387 HB3 -0.13 0.28 0.17 -0.04 1.80 2.08 2ooeA1 ARG 387 HG2 -0.08 0.01 -0.06 -0.04 1.67 1.50 2ooeA1 ARG 387 HG3 -0.04 -0.07 0.03 -0.04 1.67 1.55 2ooeA1 ARG 387 HD2 -0.08 0.07 -0.09 -0.04 3.22 3.07 2ooeA1 ARG 387 HD3 -0.02 -0.05 -0.07 -0.04 3.22 3.04 2ooeA1 ALA 388 H -0.39 0.33 -0.55 -0.55 8.40 7.25 2ooeA1 ALA 388 HA -0.13 0.19 1.10 -0.75 4.34 4.74 2ooeA1 ALA 388 HB3 -0.76 -0.03 -0.01 -0.04 1.41 0.57 2ooeA1 GLU 389 H -0.27 0.90 0.30 -0.55 8.60 8.99 2ooeA1 GLU 389 HA 0.00 0.21 1.02 -0.75 4.29 4.77 2ooeA1 GLU 389 HB2 -0.10 -0.03 0.05 -0.04 2.09 1.97 2ooeA1 GLU 389 HB3 0.02 -0.09 0.20 -0.04 1.99 2.08 2ooeA1 GLU 389 HG2 0.13 0.11 -0.16 -0.04 2.34 2.38 2ooeA1 GLU 389 HG3 -0.31 -0.01 -0.24 -0.04 2.34 1.74 2ooeA1 GLY 390 H -0.10 0.51 0.14 -0.55 8.43 8.43 2ooeA1 GLY 390 HA2 -0.05 0.08 0.40 -0.51 4.01 3.94 2ooeA1 GLY 390 HA3 -0.03 0.10 0.64 -0.51 4.01 4.20 2ooeA1 ILE 391 H -0.04 0.21 0.16 -0.55 8.25 8.03 2ooeA1 ILE 391 HA -0.05 0.06 0.35 -0.75 4.18 3.78 2ooeA1 ILE 391 HB -0.02 0.01 0.10 -0.04 1.89 1.94 2ooeA1 ILE 391 HG12 -0.03 0.00 0.11 -0.04 1.49 1.53 2ooeA1 ILE 391 HG13 -0.02 0.05 0.04 -0.04 1.21 1.24 2ooeA1 ILE 391 HG23 -0.03 0.00 -0.03 -0.04 0.93 0.84 2ooeA1 ILE 391 HD13 -0.04 0.01 -0.04 -0.04 0.88 0.77 2ooeA1 LYS 392 H -0.03 0.13 -0.18 -0.55 8.42 7.79 2ooeA1 LYS 392 HA -0.02 0.11 0.53 -0.75 4.32 4.19 2ooeA1 LYS 392 HB2 -0.02 0.01 0.06 -0.04 1.87 1.88 2ooeA1 LYS 392 HB3 -0.02 0.04 0.06 -0.04 1.79 1.83 2ooeA1 LYS 392 HG2 -0.02 -0.03 -0.10 -0.04 1.46 1.27 2ooeA1 LYS 392 HG3 -0.02 0.01 -0.02 -0.04 1.46 1.40 2ooeA1 LYS 392 HD2 -0.01 0.01 -0.04 -0.04 1.69 1.61 2ooeA1 LYS 392 HD3 -0.01 0.02 -0.11 -0.04 1.68 1.53 2ooeA1 LYS 392 HE2 -0.02 -0.02 -0.13 -0.04 2.99 2.78 2ooeA1 LYS 392 HE3 -0.02 0.01 -0.06 -0.04 2.99 2.88 2ooeA1 SER 393 H -0.03 0.22 -0.16 -0.55 8.46 7.93 2ooeA1 SER 393 HA -0.01 0.03 0.31 -0.75 4.49 4.06 2ooeA1 SER 393 HB2 -0.02 0.17 0.04 -0.04 3.95 4.10 2ooeA1 SER 393 HB3 -0.08 0.16 -0.23 -0.04 3.93 3.74 2ooeA1 GLY 394 H -0.08 0.45 -0.47 -0.55 8.43 7.78 2ooeA1 GLY 394 HA2 -0.13 -0.02 0.36 -0.51 4.01 3.71 2ooeA1 GLY 394 HA3 -0.10 0.08 0.23 -0.51 4.01 3.72 2ooeA1 ARG 395 H -0.04 0.40 -0.18 -0.55 8.46 8.10 2ooeA1 ARG 395 HA 0.07 -0.04 0.39 -0.75 4.34 4.00 2ooeA1 ARG 395 HB2 -0.01 0.11 0.13 -0.04 1.90 2.09 2ooeA1 ARG 395 HB3 0.01 -0.05 0.09 -0.04 1.80 1.81 2ooeA1 ARG 395 HG2 0.03 -0.07 0.03 -0.04 1.67 1.61 2ooeA1 ARG 395 HG3 -0.02 0.32 0.18 -0.04 1.67 2.11 2ooeA1 ARG 395 HD2 -0.01 -0.03 -0.04 -0.04 3.22 3.10 2ooeA1 ARG 395 HD3 0.01 -0.02 0.00 -0.04 3.22 3.17 2ooeA1 MET 396 H -0.05 0.44 -0.60 -0.55 8.47 7.71 2ooeA1 MET 396 HA -0.05 0.03 0.44 -0.75 4.52 4.18 2ooeA1 MET 396 HB2 -0.05 0.22 0.25 -0.04 2.15 2.53 2ooeA1 MET 396 HB3 -0.03 -0.05 0.01 -0.04 2.03 1.91 2ooeA1 MET 396 HG2 -0.03 0.14 -0.06 -0.04 2.63 2.64 2ooeA1 MET 396 HG3 -0.01 -0.06 0.03 -0.04 2.56 2.48 2ooeA1 MET 396 HE3 -0.03 -0.01 -0.08 -0.04 2.10 1.94 2ooeA1 ILE 397 H -0.13 0.37 0.04 -0.55 8.25 7.98 2ooeA1 ILE 397 HA -0.17 0.02 0.33 -0.75 4.18 3.60 2ooeA1 ILE 397 HB -0.20 0.07 0.13 -0.04 1.89 1.86 2ooeA1 ILE 397 HG12 -0.24 0.20 0.14 -0.04 1.49 1.56 2ooeA1 ILE 397 HG13 -0.55 -0.02 -0.09 -0.04 1.21 0.50 2ooeA1 ILE 397 HG23 -0.35 -0.03 -0.08 -0.04 0.93 0.43 2ooeA1 ILE 397 HD13 -0.79 -0.01 -0.03 -0.04 0.88 0.01 2ooeA1 PHE 398 H 0.01 0.58 -0.12 -0.55 8.34 8.26 2ooeA1 PHE 398 HA -0.24 -0.05 0.28 -0.75 4.62 3.86 2ooeA1 PHE 398 HB2 -0.17 0.02 0.04 -0.04 3.15 3.00 2ooeA1 PHE 398 HB3 -0.16 0.11 0.03 -0.04 3.06 2.99 2ooeA1 PHE 398 HD2 -0.24 -0.03 -0.01 -0.04 7.28 6.96 2ooeA1 PHE 398 HE2 -0.50 -0.03 -0.12 -0.04 7.38 6.69 2ooeA1 PHE 398 HZ -0.45 0.04 -0.03 -0.04 7.32 6.84 2ooeA1 LYS 399 H -0.13 0.47 -0.48 -0.55 8.42 7.72 2ooeA1 LYS 399 HA -0.42 -0.03 0.40 -0.75 4.32 3.51 2ooeA1 LYS 399 HB2 -0.16 0.09 0.18 -0.04 1.87 1.94 2ooeA1 LYS 399 HB3 -0.13 0.20 0.20 -0.04 1.79 2.02 2ooeA1 LYS 399 HG2 -0.13 -0.02 -0.14 -0.04 1.46 1.13 2ooeA1 LYS 399 HG3 -0.17 -0.05 0.03 -0.04 1.46 1.23 2ooeA1 LYS 399 HD2 -0.09 -0.03 0.00 -0.04 1.69 1.53 2ooeA1 LYS 399 HD3 -0.08 0.02 0.01 -0.04 1.68 1.59 2ooeA1 LYS 399 HE2 -0.08 -0.01 -0.03 -0.04 2.99 2.83 2ooeA1 LYS 399 HE3 -0.05 -0.03 -0.02 -0.04 2.99 2.84 2ooeA1 LYS 400 H -0.16 0.43 -0.04 -0.55 8.42 8.09 2ooeA1 LYS 400 HA -0.12 0.03 0.41 -0.75 4.32 3.89 2ooeA1 LYS 400 HB2 -0.08 0.05 0.13 -0.04 1.87 1.93 2ooeA1 LYS 400 HB3 0.02 -0.02 -0.02 -0.04 1.79 1.73 2ooeA1 LYS 400 HG2 -0.03 -0.01 -0.02 -0.04 1.46 1.36 2ooeA1 LYS 400 HG3 -0.05 0.10 -0.05 -0.04 1.46 1.42 2ooeA1 LYS 400 HD2 0.09 0.01 -0.04 -0.04 1.69 1.71 2ooeA1 LYS 400 HD3 0.05 -0.02 -0.06 -0.04 1.68 1.60 2ooeA1 LYS 400 HE2 -0.01 -0.05 -0.11 -0.04 2.99 2.79 2ooeA1 LYS 400 HE3 0.14 0.01 -0.04 -0.04 2.99 3.06 2ooeA1 ALA 401 H -0.42 0.70 -0.11 -0.55 8.40 8.02 2ooeA1 ALA 401 HA -1.86 -0.05 0.33 -0.75 4.34 2.00 2ooeA1 ALA 401 HB3 -0.39 0.02 0.04 -0.04 1.41 1.04 2ooeA1 ARG 402 H -0.42 0.51 -0.21 -0.55 8.46 7.79 2ooeA1 ARG 402 HA -0.11 0.01 0.38 -0.75 4.34 3.87 2ooeA1 ARG 402 HB2 -0.33 0.11 0.04 -0.04 1.90 1.69 2ooeA1 ARG 402 HB3 -0.15 -0.05 0.06 -0.04 1.80 1.62 2ooeA1 ARG 402 HG2 -0.90 -0.12 -0.03 -0.04 1.67 0.58 2ooeA1 ARG 402 HG3 -1.05 0.37 0.06 -0.04 1.67 1.01 2ooeA1 ARG 402 HD2 -0.37 -0.01 -0.03 -0.04 3.22 2.76 2ooeA1 ARG 402 HD3 -1.64 -0.08 -0.07 -0.04 3.22 1.39 2ooeA1 GLU 403 H -0.19 0.37 -0.44 -0.55 8.60 7.79 2ooeA1 GLU 403 HA -0.06 0.10 0.66 -0.75 4.29 4.23 2ooeA1 GLU 403 HB2 -0.07 0.05 0.11 -0.04 2.09 2.13 2ooeA1 GLU 403 HB3 -0.05 -0.09 0.18 -0.04 1.99 1.99 2ooeA1 GLU 403 HG2 -0.08 -0.07 -0.02 -0.04 2.34 2.13 2ooeA1 GLU 403 HG3 -0.14 0.24 0.04 -0.04 2.34 2.43 2ooeA1 ASP 404 H -0.06 0.43 -0.43 -0.55 8.40 7.79 2ooeA1 ASP 404 HA 0.06 0.10 0.86 -0.75 4.63 4.89 2ooeA1 ASP 404 HB2 0.13 0.12 0.03 -0.04 2.71 2.95 2ooeA1 ASP 404 HB3 0.17 -0.01 0.24 -0.04 2.70 3.06 2ooeA1 ALA 405 H 0.04 0.21 0.10 -0.55 8.40 8.21 2ooeA1 ALA 405 HA 0.04 0.11 0.31 -0.75 4.34 4.04 2ooeA1 ALA 405 HB3 0.03 0.00 0.10 -0.04 1.41 1.50 2ooeA1 ARG 406 H 0.09 -0.04 -0.57 -0.55 8.46 7.39 2ooeA1 ARG 406 HA 0.08 0.10 0.55 -0.75 4.34 4.31 2ooeA1 ARG 406 HB2 0.11 -0.05 0.09 -0.04 1.90 2.01 2ooeA1 ARG 406 HB3 0.06 -0.04 0.12 -0.04 1.80 1.90 2ooeA1 ARG 406 HG2 0.05 0.00 0.05 -0.04 1.67 1.73 2ooeA1 ARG 406 HG3 0.06 -0.09 0.04 -0.04 1.67 1.64 2ooeA1 ARG 406 HD2 0.03 0.04 0.18 -0.04 3.22 3.42 2ooeA1 ARG 406 HD3 0.03 0.11 0.15 -0.04 3.22 3.46 2ooeA1 THR 407 H 0.17 0.23 -0.02 -0.55 8.28 8.12 2ooeA1 THR 407 HA 0.18 -0.30 0.34 -0.75 4.39 3.86 2ooeA1 THR 407 HB 0.15 0.21 0.13 -0.04 4.32 4.77 2ooeA1 THR 407 HG23 0.15 -0.04 -0.14 -0.04 1.22 1.16 2ooeA1 ARG 408 H 0.09 -0.13 0.22 -0.55 8.46 8.08 2ooeA1 ARG 408 HA 0.13 0.32 0.79 -0.75 4.34 4.83 2ooeA1 ARG 408 HB2 0.04 -0.16 0.12 -0.04 1.90 1.86 2ooeA1 ARG 408 HB3 0.11 -0.06 0.20 -0.04 1.80 2.01 2ooeA1 ARG 408 HG2 0.10 0.30 0.04 -0.04 1.67 2.07 2ooeA1 ARG 408 HG3 0.04 -0.10 0.11 -0.04 1.67 1.67 2ooeA1 ARG 408 HD2 0.13 -0.01 0.08 -0.04 3.22 3.38 2ooeA1 ARG 408 HD3 0.07 0.09 0.07 -0.04 3.22 3.40 2ooeA1 HIS 409 H -0.43 0.20 0.17 -0.55 8.41 7.81 2ooeA1 HIS 409 HA -1.34 0.14 0.29 -0.75 4.63 2.96 2ooeA1 HIS 409 HB2 -0.77 0.04 0.08 -0.04 3.26 2.57 2ooeA1 HIS 409 HB3 -0.94 0.10 0.19 -0.04 3.20 2.50 2ooeA1 HIS 409 HD2 -0.12 0.08 0.10 -0.04 6.97 6.98 2ooeA1 HIS 409 HE1 -0.42 0.06 -0.17 -0.04 7.75 7.18 2ooeA1 HIS 410 H -0.50 0.08 -0.29 -0.55 8.41 7.16 2ooeA1 HIS 410 HA -0.16 0.03 0.26 -0.75 4.63 4.01 2ooeA1 HIS 410 HB2 -0.15 0.00 -0.05 -0.04 3.26 3.02 2ooeA1 HIS 410 HB3 -0.11 0.03 0.00 -0.04 3.20 3.09 2ooeA1 HIS 410 HD2 -0.05 0.04 -0.01 -0.04 6.97 6.91 2ooeA1 HIS 410 HE1 -0.06 0.05 0.03 -0.04 7.75 7.72 2ooeA1 VAL 411 H 0.07 0.41 -0.30 -0.55 8.24 7.87 2ooeA1 VAL 411 HA -0.01 0.05 0.57 -0.75 4.13 3.98 2ooeA1 VAL 411 HB 0.09 -0.01 0.05 -0.04 2.12 2.21 2ooeA1 VAL 411 HG13 0.06 0.09 -0.11 -0.04 0.97 0.98 2ooeA1 VAL 411 HG23 -0.03 -0.01 -0.08 -0.04 0.95 0.80 2ooeA1 TYR 412 H 0.33 0.45 -0.01 -0.55 8.29 8.51 2ooeA1 TYR 412 HA -0.07 0.05 0.41 -0.75 4.56 4.19 2ooeA1 TYR 412 HB2 0.05 0.07 0.09 -0.04 3.06 3.23 2ooeA1 TYR 412 HB3 0.02 0.10 0.04 -0.04 2.98 3.10 2ooeA1 TYR 412 HD2 0.11 0.03 -0.01 -0.04 7.15 7.24 2ooeA1 TYR 412 HE2 0.12 0.06 -0.10 -0.04 6.85 6.89 2ooeA1 VAL 413 H 0.09 0.22 -0.47 -0.55 8.24 7.53 2ooeA1 VAL 413 HA -0.36 0.09 0.43 -0.75 4.13 3.53 2ooeA1 VAL 413 HB 0.06 0.12 0.10 -0.04 2.12 2.36 2ooeA1 VAL 413 HG13 0.08 0.01 -0.18 -0.04 0.97 0.84 2ooeA1 VAL 413 HG23 0.23 0.01 -0.09 -0.04 0.95 1.06 2ooeA1 THR 414 H -0.05 0.51 0.02 -0.55 8.28 8.21 2ooeA1 THR 414 HA -0.05 0.03 0.33 -0.75 4.39 3.94 2ooeA1 THR 414 HB -0.08 0.03 0.25 -0.04 4.32 4.48 2ooeA1 THR 414 HG23 -0.10 -0.00 -0.16 -0.04 1.22 0.92 2ooeA1 ALA 415 H -0.34 0.69 -0.17 -0.55 8.40 8.03 2ooeA1 ALA 415 HA -0.38 0.01 0.33 -0.75 4.34 3.54 2ooeA1 ALA 415 HB3 -1.12 0.00 0.04 -0.04 1.41 0.28 2ooeA1 ALA 416 H -0.48 0.50 -0.24 -0.55 8.40 7.63 2ooeA1 ALA 416 HA -0.32 -0.07 0.36 -0.75 4.34 3.55 2ooeA1 ALA 416 HB3 -0.98 0.03 0.08 -0.04 1.41 0.50 2ooeA1 LEU 417 H -0.30 0.72 -0.20 -0.55 8.37 8.04 2ooeA1 LEU 417 HA -0.29 -0.03 0.34 -0.75 4.35 3.62 2ooeA1 LEU 417 HB2 -0.00 0.14 0.04 -0.04 1.64 1.77 2ooeA1 LEU 417 HB3 -0.04 -0.05 -0.02 -0.04 1.64 1.49 2ooeA1 LEU 417 HG -0.04 0.19 -0.08 -0.04 1.64 1.67 2ooeA1 LEU 417 HD13 0.18 -0.01 -0.07 -0.04 0.93 0.99 2ooeA1 LEU 417 HD23 -0.04 -0.02 -0.06 -0.04 0.89 0.73 2ooeA1 MET 418 H -0.12 0.51 -0.28 -0.55 8.47 8.03 2ooeA1 MET 418 HA 0.05 -0.00 0.31 -0.75 4.52 4.13 2ooeA1 MET 418 HB2 -0.10 0.13 0.12 -0.04 2.15 2.26 2ooeA1 MET 418 HB3 -0.14 0.15 0.15 -0.04 2.03 2.15 2ooeA1 MET 418 HG2 -0.06 -0.08 -0.12 -0.04 2.63 2.33 2ooeA1 MET 418 HG3 -0.03 -0.01 0.02 -0.04 2.56 2.50 2ooeA1 MET 418 HE3 -0.15 -0.01 -0.05 -0.04 2.10 1.85 2ooeA1 GLU 419 H -0.10 0.46 -0.20 -0.55 8.60 8.21 2ooeA1 GLU 419 HA -0.02 -0.04 0.45 -0.75 4.29 3.92 2ooeA1 GLU 419 HB2 -0.03 0.13 0.22 -0.04 2.09 2.37 2ooeA1 GLU 419 HB3 0.01 -0.12 0.12 -0.04 1.99 1.96 2ooeA1 GLU 419 HG2 -0.12 0.22 0.01 -0.04 2.34 2.41 2ooeA1 GLU 419 HG3 -0.05 -0.10 -0.12 -0.04 2.34 2.03 2ooeA1 TYR 420 H 0.05 0.36 0.01 -0.55 8.29 8.16 2ooeA1 TYR 420 HA 0.00 -0.13 0.19 -0.75 4.56 3.87 2ooeA1 TYR 420 HB2 -0.11 -0.07 0.07 -0.04 3.06 2.90 2ooeA1 TYR 420 HB3 -0.34 0.17 0.17 -0.04 2.98 2.94 2ooeA1 TYR 420 HD2 -0.45 -0.04 -0.14 -0.04 7.15 6.49 2ooeA1 TYR 420 HE2 0.13 -0.00 -0.07 -0.04 6.85 6.86 2ooeA1 TYR 421 H 0.07 0.89 -0.07 -0.55 8.29 8.63 2ooeA1 TYR 421 HA -0.09 0.05 0.44 -0.75 4.56 4.21 2ooeA1 TYR 421 HB2 0.06 0.04 -0.01 -0.04 3.06 3.10 2ooeA1 TYR 421 HB3 0.03 -0.03 -0.01 -0.04 2.98 2.93 2ooeA1 TYR 421 HD2 0.10 0.01 -0.09 -0.04 7.15 7.12 2ooeA1 TYR 421 HE2 0.24 -0.01 -0.05 -0.04 6.85 6.99 2ooeA1 CYS 422 H 0.05 0.52 -0.10 -0.55 8.50 8.42 2ooeA1 CYS 422 HA 0.02 0.18 0.98 -0.75 4.58 5.00 2ooeA1 CYS 422 HB2 0.00 0.11 0.20 -0.04 2.97 3.24 2ooeA1 CYS 422 HB3 -0.01 -0.09 -0.01 -0.04 2.97 2.83 2ooeA1 SER 423 H -0.01 0.32 0.34 -0.55 8.46 8.57 2ooeA1 SER 423 HA -0.01 0.06 0.51 -0.75 4.49 4.29 2ooeA1 SER 423 HB2 -0.00 -0.03 0.09 -0.04 3.95 3.97 2ooeA1 SER 423 HB3 -0.01 -0.02 0.21 -0.04 3.93 4.07 2ooeA1 LYS 424 H -0.04 0.40 0.02 -0.55 8.42 8.25 2ooeA1 LYS 424 HA -0.18 0.30 0.30 -0.75 4.32 3.98 2ooeA1 LYS 424 HB2 -0.03 0.10 0.45 -0.04 1.87 2.34 2ooeA1 LYS 424 HB3 -0.07 -0.11 0.23 -0.04 1.79 1.80 2ooeA1 LYS 424 HG2 -0.04 0.23 -0.69 -0.04 1.46 0.92 2ooeA1 LYS 424 HG3 -0.04 -0.11 -0.00 -0.04 1.46 1.27 2ooeA1 LYS 424 HD2 -0.11 -0.12 -0.01 -0.04 1.69 1.41 2ooeA1 LYS 424 HD3 -0.14 0.24 -0.13 -0.04 1.68 1.62 2ooeA1 LYS 424 HE2 -0.02 0.16 -0.18 -0.04 2.99 2.91 2ooeA1 LYS 424 HE3 -0.03 -0.11 -0.04 -0.04 2.99 2.77 2ooeA1 ASP 425 H 0.01 0.04 -0.13 -0.55 8.40 7.77 2ooeA1 ASP 425 HA 0.05 0.22 0.77 -0.75 4.63 4.91 2ooeA1 ASP 425 HB2 0.02 0.17 -0.02 -0.04 2.71 2.84 2ooeA1 ASP 425 HB3 0.03 -0.01 0.13 -0.04 2.70 2.81 2ooeA1 LYS 426 H 0.11 0.33 0.15 -0.55 8.42 8.45 2ooeA1 LYS 426 HA 0.29 0.13 0.57 -0.75 4.32 4.55 2ooeA1 LYS 426 HB2 0.12 0.03 0.10 -0.04 1.87 2.09 2ooeA1 LYS 426 HB3 0.19 0.00 0.18 -0.04 1.79 2.13 2ooeA1 LYS 426 HG2 0.48 0.02 -0.04 -0.04 1.46 1.88 2ooeA1 LYS 426 HG3 0.21 0.06 -0.10 -0.04 1.46 1.59 2ooeA1 LYS 426 HD2 0.10 -0.01 0.04 -0.04 1.69 1.78 2ooeA1 LYS 426 HD3 0.14 -0.01 0.03 -0.04 1.68 1.80 2ooeA1 LYS 426 HE2 0.39 0.02 -0.02 -0.04 2.99 3.34 2ooeA1 LYS 426 HE3 0.10 0.08 0.00 -0.04 2.99 3.13 2ooeA1 SER 427 H 0.11 0.02 -0.49 -0.55 8.46 7.56 2ooeA1 SER 427 HA 0.19 0.24 0.79 -0.75 4.49 4.95 2ooeA1 SER 427 HB2 0.08 -0.07 0.11 -0.04 3.95 4.03 2ooeA1 SER 427 HB3 0.10 0.08 -0.02 -0.04 3.93 4.04 2ooeA1 VAL 428 H 0.08 0.14 0.05 -0.55 8.24 7.95 2ooeA1 VAL 428 HA 0.06 0.10 0.37 -0.75 4.13 3.90 2ooeA1 VAL 428 HB 0.03 0.01 0.09 -0.04 2.12 2.21 2ooeA1 VAL 428 HG13 0.01 0.03 -0.03 -0.04 0.97 0.93 2ooeA1 VAL 428 HG23 0.03 0.01 0.06 -0.04 0.95 1.01 2ooeA1 ALA 429 H 0.11 0.12 -0.46 -0.55 8.40 7.62 2ooeA1 ALA 429 HA -0.05 0.09 0.44 -0.75 4.34 4.07 2ooeA1 ALA 429 HB3 0.12 0.01 0.05 -0.04 1.41 1.55 2ooeA1 PHE 430 H 0.35 0.29 -0.25 -0.55 8.34 8.17 2ooeA1 PHE 430 HA 0.24 0.02 0.38 -0.75 4.62 4.51 2ooeA1 PHE 430 HB2 0.16 0.05 0.18 -0.04 3.15 3.50 2ooeA1 PHE 430 HB3 0.11 0.10 0.22 -0.04 3.06 3.45 2ooeA1 PHE 430 HD2 0.14 0.00 -0.00 -0.04 7.28 7.38 2ooeA1 PHE 430 HE2 0.10 0.01 -0.02 -0.04 7.38 7.42 2ooeA1 PHE 430 HZ 0.06 0.02 -0.02 -0.04 7.32 7.34 2ooeA1 LYS 431 H 0.12 0.63 -0.28 -0.55 8.42 8.34 2ooeA1 LYS 431 HA -0.27 0.03 0.47 -0.75 4.32 3.80 2ooeA1 LYS 431 HB2 0.02 0.06 0.13 -0.04 1.87 2.04 2ooeA1 LYS 431 HB3 -0.01 -0.01 0.01 -0.04 1.79 1.73 2ooeA1 LYS 431 HG2 0.10 -0.03 -0.02 -0.04 1.46 1.48 2ooeA1 LYS 431 HG3 0.16 0.38 0.00 -0.04 1.46 1.96 2ooeA1 LYS 431 HD2 0.09 -0.05 -0.14 -0.04 1.69 1.55 2ooeA1 LYS 431 HD3 0.06 -0.06 -0.13 -0.04 1.68 1.50 2ooeA1 LYS 431 HE2 0.04 -0.00 -0.04 -0.04 2.99 2.94 2ooeA1 LYS 431 HE3 0.02 0.02 -0.04 -0.04 2.99 2.96 2ooeA1 ILE 432 H -0.02 0.83 0.04 -0.55 8.25 8.55 2ooeA1 ILE 432 HA 0.07 -0.00 0.35 -0.75 4.18 3.85 2ooeA1 ILE 432 HB -0.20 0.05 0.21 -0.04 1.89 1.91 2ooeA1 ILE 432 HG12 0.16 -0.05 0.03 -0.04 1.49 1.59 2ooeA1 ILE 432 HG13 0.01 0.32 0.17 -0.04 1.21 1.66 2ooeA1 ILE 432 HG23 -0.13 -0.03 -0.03 -0.04 0.93 0.70 2ooeA1 ILE 432 HD13 -0.17 -0.05 -0.17 -0.04 0.88 0.45 2ooeA1 PHE 433 H -0.06 0.59 -0.27 -0.55 8.34 8.05 2ooeA1 PHE 433 HA -0.14 0.05 0.47 -0.75 4.62 4.24 2ooeA1 PHE 433 HB2 -0.41 0.08 0.16 -0.04 3.15 2.94 2ooeA1 PHE 433 HB3 -1.50 -0.04 -0.02 -0.04 3.06 1.45 2ooeA1 PHE 433 HD2 -0.35 -0.01 -0.13 -0.04 7.28 6.75 2ooeA1 PHE 433 HE2 -0.63 -0.03 -0.20 -0.04 7.38 6.47 2ooeA1 PHE 433 HZ -0.28 0.03 -0.08 -0.04 7.32 6.95 2ooeA1 GLU 434 H -0.35 0.83 0.07 -0.55 8.60 8.60 2ooeA1 GLU 434 HA -0.19 -0.04 0.39 -0.75 4.29 3.69 2ooeA1 GLU 434 HB2 -0.52 0.08 0.29 -0.04 2.09 1.90 2ooeA1 GLU 434 HB3 -0.28 -0.04 -0.00 -0.04 1.99 1.63 2ooeA1 GLU 434 HG2 -1.25 0.12 0.14 -0.04 2.34 1.32 2ooeA1 GLU 434 HG3 -1.43 -0.06 0.01 -0.04 2.34 0.82 2ooeA1 LEU 435 H -0.12 1.15 -0.05 -0.55 8.37 8.81 2ooeA1 LEU 435 HA -0.07 -0.01 0.38 -0.75 4.35 3.90 2ooeA1 LEU 435 HB2 -0.02 -0.05 0.04 -0.04 1.64 1.58 2ooeA1 LEU 435 HB3 0.07 0.07 0.07 -0.04 1.64 1.81 2ooeA1 LEU 435 HG 0.17 0.01 -0.14 -0.04 1.64 1.64 2ooeA1 LEU 435 HD13 -0.02 -0.01 0.08 -0.04 0.93 0.93 2ooeA1 LEU 435 HD23 0.05 -0.02 -0.04 -0.04 0.89 0.83 2ooeA1 GLY 436 H -0.04 0.29 -0.83 -0.55 8.43 7.31 2ooeA1 GLY 436 HA2 -0.52 0.04 0.64 -0.51 4.01 3.66 2ooeA1 GLY 436 HA3 -0.13 0.05 0.32 -0.51 4.01 3.74 2ooeA1 LEU 437 H 0.07 0.93 0.22 -0.55 8.37 9.04 2ooeA1 LEU 437 HA 0.30 -0.07 0.20 -0.75 4.35 4.03 2ooeA1 LEU 437 HB2 0.23 -0.04 0.03 -0.04 1.64 1.82 2ooeA1 LEU 437 HB3 0.06 0.08 0.08 -0.04 1.64 1.83 2ooeA1 LEU 437 HG 0.09 0.05 -0.14 -0.04 1.64 1.60 2ooeA1 LEU 437 HD13 0.18 -0.02 0.05 -0.04 0.93 1.10 2ooeA1 LEU 437 HD23 0.26 -0.02 -0.02 -0.04 0.89 1.07 2ooeA1 LYS 438 H -0.09 0.33 -0.75 -0.55 8.42 7.36 2ooeA1 LYS 438 HA -0.06 0.03 0.43 -0.75 4.32 3.96 2ooeA1 LYS 438 HB2 -0.08 0.06 0.06 -0.04 1.87 1.88 2ooeA1 LYS 438 HB3 -0.13 0.13 0.07 -0.04 1.79 1.82 2ooeA1 LYS 438 HG2 -0.10 0.00 -0.08 -0.04 1.46 1.25 2ooeA1 LYS 438 HG3 -0.08 -0.02 -0.02 -0.04 1.46 1.31 2ooeA1 LYS 438 HD2 -0.05 -0.03 -0.01 -0.04 1.69 1.56 2ooeA1 LYS 438 HD3 -0.04 -0.03 -0.01 -0.04 1.68 1.56 2ooeA1 LYS 438 HE2 -0.04 -0.06 -0.03 -0.04 2.99 2.82 2ooeA1 LYS 438 HE3 -0.07 0.06 -0.02 -0.04 2.99 2.93 2ooeA1 LYS 439 H -0.28 0.27 -0.00 -0.55 8.42 7.86 2ooeA1 LYS 439 HA -0.27 0.12 0.61 -0.75 4.32 4.03 2ooeA1 LYS 439 HB2 -0.34 -0.00 0.12 -0.04 1.87 1.61 2ooeA1 LYS 439 HB3 -0.66 0.03 0.17 -0.04 1.79 1.29 2ooeA1 LYS 439 HG2 -1.05 -0.04 -0.10 -0.04 1.46 0.23 2ooeA1 LYS 439 HG3 -0.40 -0.01 0.10 -0.04 1.46 1.10 2ooeA1 LYS 439 HD2 -0.59 -0.02 0.00 -0.04 1.69 1.04 2ooeA1 LYS 439 HD3 -0.43 0.03 0.00 -0.04 1.68 1.24 2ooeA1 LYS 439 HE2 -0.18 -0.03 0.03 -0.04 2.99 2.77 2ooeA1 LYS 439 HE3 -0.20 -0.01 0.04 -0.04 2.99 2.78 2ooeA1 TYR 440 H -0.31 0.77 -0.02 -0.55 8.29 8.18 2ooeA1 TYR 440 HA -0.18 0.24 0.98 -0.75 4.56 4.85 2ooeA1 TYR 440 HB2 -1.01 0.07 0.00 -0.04 3.06 2.08 2ooeA1 TYR 440 HB3 -0.39 -0.17 0.21 -0.04 2.98 2.60 2ooeA1 TYR 440 HD2 -0.46 0.02 0.05 -0.04 7.15 6.73 2ooeA1 TYR 440 HE2 -0.22 0.05 -0.02 -0.04 6.85 6.63 2ooeA1 GLY 441 H -0.07 0.39 -0.38 -0.55 8.43 7.83 2ooeA1 GLY 441 HA2 0.13 -0.09 0.31 -0.51 4.01 3.85 2ooeA1 GLY 441 HA3 0.03 0.23 0.36 -0.51 4.01 4.12 2ooeA1 ASP 442 H 0.02 0.12 -0.78 -0.55 8.40 7.22 2ooeA1 ASP 442 HA 0.02 0.21 0.85 -0.75 4.63 4.95 2ooeA1 ASP 442 HB2 0.01 -0.06 0.26 -0.04 2.71 2.88 2ooeA1 ASP 442 HB3 -0.00 0.24 0.05 -0.04 2.70 2.95 2ooeA1 ILE 443 H 0.05 0.39 0.01 -0.55 8.25 8.15 2ooeA1 ILE 443 HA 0.01 0.27 0.98 -0.75 4.18 4.68 2ooeA1 ILE 443 HB -0.13 -0.08 0.29 -0.04 1.89 1.93 2ooeA1 ILE 443 HG12 0.07 0.11 0.06 -0.04 1.49 1.69 2ooeA1 ILE 443 HG13 0.06 -0.09 0.12 -0.04 1.21 1.26 2ooeA1 ILE 443 HG23 -0.18 -0.06 0.05 -0.04 0.93 0.70 2ooeA1 ILE 443 HD13 0.08 0.07 -0.09 -0.04 0.88 0.91 2ooeA1 PRO 444 HA 0.00 0.09 0.38 -0.51 4.44 4.40 2ooeA1 PRO 444 HB2 0.02 -0.09 0.12 -0.04 2.28 2.30 2ooeA1 PRO 444 HB3 0.04 0.06 0.11 -0.04 2.02 2.18 2ooeA1 PRO 444 HG2 0.04 0.01 0.16 -0.04 2.03 2.20 2ooeA1 PRO 444 HG3 0.04 0.27 0.14 -0.04 2.03 2.44 2ooeA1 PRO 444 HD2 0.02 0.03 0.26 -0.04 3.68 3.95 2ooeA1 PRO 444 HD3 0.02 0.45 0.10 -0.04 3.65 4.19 2ooeA1 GLU 445 H -0.04 0.16 -0.16 -0.55 8.60 8.02 2ooeA1 GLU 445 HA -0.02 0.08 0.36 -0.75 4.29 3.96 2ooeA1 GLU 445 HB2 -0.02 0.01 -0.08 -0.04 2.09 1.95 2ooeA1 GLU 445 HB3 0.03 0.05 0.07 -0.04 1.99 2.11 2ooeA1 GLU 445 HG2 -0.10 -0.06 0.02 -0.04 2.34 2.16 2ooeA1 GLU 445 HG3 0.10 0.04 0.03 -0.04 2.34 2.47 2ooeA1 TYR 446 H -0.26 0.18 -0.28 -0.55 8.29 7.38 2ooeA1 TYR 446 HA -0.21 0.01 0.40 -0.75 4.56 4.01 2ooeA1 TYR 446 HB2 -0.85 -0.12 0.10 -0.04 3.06 2.14 2ooeA1 TYR 446 HB3 -0.22 0.23 0.17 -0.04 2.98 3.12 2ooeA1 TYR 446 HD2 0.08 0.00 -0.24 -0.04 7.15 6.95 2ooeA1 TYR 446 HE2 0.03 -0.02 -0.20 -0.04 6.85 6.62 2ooeA1 VAL 447 H -0.00 0.58 -0.02 -0.55 8.24 8.26 2ooeA1 VAL 447 HA -0.07 0.02 0.38 -0.75 4.13 3.71 2ooeA1 VAL 447 HB -0.04 0.08 0.07 -0.04 2.12 2.19 2ooeA1 VAL 447 HG13 -0.13 -0.01 -0.17 -0.04 0.97 0.62 2ooeA1 VAL 447 HG23 0.05 0.03 -0.07 -0.04 0.95 0.92 2ooeA1 LEU 448 H -0.09 0.63 -0.20 -0.55 8.37 8.17 2ooeA1 LEU 448 HA -0.13 -0.01 0.37 -0.75 4.35 3.84 2ooeA1 LEU 448 HB2 -0.04 0.12 0.11 -0.04 1.64 1.79 2ooeA1 LEU 448 HB3 -0.03 -0.02 -0.09 -0.04 1.64 1.46 2ooeA1 LEU 448 HG -0.01 0.07 -0.05 -0.04 1.64 1.61 2ooeA1 LEU 448 HD13 0.02 -0.03 -0.10 -0.04 0.93 0.78 2ooeA1 LEU 448 HD23 0.00 -0.01 -0.14 -0.04 0.89 0.70 2ooeA1 ALA 449 H -0.12 0.49 -0.23 -0.55 8.40 7.99 2ooeA1 ALA 449 HA -0.02 -0.00 0.34 -0.75 4.34 3.90 2ooeA1 ALA 449 HB3 -0.04 0.04 0.10 -0.04 1.41 1.46 2ooeA1 TYR 450 H -0.22 0.52 -0.27 -0.55 8.29 7.77 2ooeA1 TYR 450 HA -0.83 -0.02 0.35 -0.75 4.56 3.30 2ooeA1 TYR 450 HB2 -0.42 0.01 0.07 -0.04 3.06 2.68 2ooeA1 TYR 450 HB3 -0.34 0.15 0.19 -0.04 2.98 2.94 2ooeA1 TYR 450 HD2 -0.55 -0.00 0.02 -0.04 7.15 6.58 2ooeA1 TYR 450 HE2 -0.06 -0.01 -0.03 -0.04 6.85 6.71 2ooeA1 ILE 451 H -0.32 0.84 0.06 -0.55 8.25 8.28 2ooeA1 ILE 451 HA -0.68 -0.06 0.35 -0.75 4.18 3.04 2ooeA1 ILE 451 HB -0.35 0.05 0.16 -0.04 1.89 1.71 2ooeA1 ILE 451 HG12 -1.05 -0.05 -0.06 -0.04 1.49 0.29 2ooeA1 ILE 451 HG13 -0.61 0.03 -0.01 -0.04 1.21 0.58 2ooeA1 ILE 451 HG23 -0.51 -0.00 -0.22 -0.04 0.93 0.15 2ooeA1 ILE 451 HD13 -0.63 0.00 -0.12 -0.04 0.88 0.09 2ooeA1 ASP 452 H -0.22 0.74 -0.03 -0.55 8.40 8.35 2ooeA1 ASP 452 HA -0.28 -0.03 0.26 -0.75 4.63 3.83 2ooeA1 ASP 452 HB2 -0.10 -0.01 0.07 -0.04 2.71 2.63 2ooeA1 ASP 452 HB3 -0.08 0.12 0.03 -0.04 2.70 2.73 2ooeA1 TYR 453 H -0.18 0.41 -0.70 -0.55 8.29 7.27 2ooeA1 TYR 453 HA -0.22 0.05 0.54 -0.75 4.56 4.18 2ooeA1 TYR 453 HB2 -0.20 -0.02 0.06 -0.04 3.06 2.85 2ooeA1 TYR 453 HB3 -0.57 0.24 0.22 -0.04 2.98 2.83 2ooeA1 TYR 453 HD2 -0.57 0.04 -0.02 -0.04 7.15 6.55 2ooeA1 TYR 453 HE2 -0.88 -0.02 -0.09 -0.04 6.85 5.82 2ooeA1 LEU 454 H -0.44 0.51 0.18 -0.55 8.37 8.07 2ooeA1 LEU 454 HA -0.74 -0.02 0.40 -0.75 4.35 3.24 2ooeA1 LEU 454 HB2 -0.51 0.07 0.14 -0.04 1.64 1.30 2ooeA1 LEU 454 HB3 -0.52 0.04 0.04 -0.04 1.64 1.15 2ooeA1 LEU 454 HG -0.32 -0.07 -0.04 -0.04 1.64 1.17 2ooeA1 LEU 454 HD13 -0.18 -0.01 0.03 -0.04 0.93 0.73 2ooeA1 LEU 454 HD23 -0.36 -0.00 -0.08 -0.04 0.89 0.41 2ooeA1 SER 455 H -0.42 0.65 -0.40 -0.55 8.46 7.74 2ooeA1 SER 455 HA -0.24 -0.02 0.40 -0.75 4.49 3.87 2ooeA1 SER 455 HB2 -0.34 0.14 -0.11 -0.04 3.95 3.59 2ooeA1 SER 455 HB3 -0.13 -0.03 0.02 -0.04 3.93 3.75 2ooeA1 HIS 456 H -0.25 0.61 -0.32 -0.55 8.41 7.90 2ooeA1 HIS 456 HA -0.02 0.18 0.91 -0.75 4.63 4.95 2ooeA1 HIS 456 HB2 -0.07 0.11 0.14 -0.04 3.26 3.40 2ooeA1 HIS 456 HB3 0.03 -0.05 0.12 -0.04 3.20 3.26 2ooeA1 HIS 456 HD2 0.03 0.06 -0.05 -0.04 6.97 6.97 2ooeA1 HIS 456 HE1 0.06 -0.06 -0.02 -0.04 7.75 7.68 2ooeA1 LEU 457 H -0.20 0.30 -0.23 -0.55 8.37 7.70 2ooeA1 LEU 457 HA -0.01 0.09 0.50 -0.75 4.35 4.17 2ooeA1 LEU 457 HB2 -0.22 0.22 0.19 -0.04 1.64 1.79 2ooeA1 LEU 457 HB3 -0.11 -0.08 0.10 -0.04 1.64 1.51 2ooeA1 LEU 457 HG -0.69 0.19 0.05 -0.04 1.64 1.14 2ooeA1 LEU 457 HD13 -0.43 -0.03 0.05 -0.04 0.93 0.48 2ooeA1 LEU 457 HD23 -0.05 -0.01 0.00 -0.04 0.89 0.79 2ooeA1 ASN 458 H -0.03 0.13 -0.52 -0.55 8.53 7.56 2ooeA1 ASN 458 HA 0.06 0.11 0.15 -0.75 4.76 4.33 2ooeA1 ASN 458 HB2 0.05 0.09 -0.38 -0.04 2.88 2.60 2ooeA1 ASN 458 HB3 0.03 0.18 0.24 -0.04 2.79 3.20 2ooeA1 ASN 458 HD21 0.04 -0.04 0.04 -0.04 7.03 7.03 2ooeA1 ASN 458 HD22 0.04 0.03 0.02 -0.04 7.74 7.79 2ooeA1 GLU 459 H -0.05 0.14 -0.33 -0.55 8.60 7.82 2ooeA1 GLU 459 HA 0.02 0.14 0.70 -0.75 4.29 4.40 2ooeA1 GLU 459 HB2 -0.04 0.12 0.01 -0.04 2.09 2.15 2ooeA1 GLU 459 HB3 -0.07 -0.07 0.14 -0.04 1.99 1.96 2ooeA1 GLU 459 HG2 -0.01 0.09 0.02 -0.04 2.34 2.41 2ooeA1 GLU 459 HG3 -0.03 0.04 0.01 -0.04 2.34 2.32 2ooeA1 ASP 460 H 0.09 0.33 0.16 -0.55 8.40 8.42 2ooeA1 ASP 460 HA 0.36 0.10 0.24 -0.75 4.63 4.58 2ooeA1 ASP 460 HB2 0.11 -0.08 0.15 -0.04 2.71 2.85 2ooeA1 ASP 460 HB3 0.22 0.02 0.01 -0.04 2.70 2.91 2ooeA1 ASN 461 H 0.07 0.13 -0.05 -0.55 8.53 8.13 2ooeA1 ASN 461 HA 0.11 0.09 0.35 -0.75 4.76 4.55 2ooeA1 ASN 461 HB2 0.04 0.03 0.11 -0.04 2.88 3.02 2ooeA1 ASN 461 HB3 0.01 -0.03 0.07 -0.04 2.79 2.80 2ooeA1 ASN 461 HD21 0.02 0.03 -0.04 -0.04 7.03 7.00 2ooeA1 ASN 461 HD22 0.01 0.01 -0.03 -0.04 7.74 7.69 2ooeA1 ASN 462 H -0.03 0.12 -0.13 -0.55 8.53 7.95 2ooeA1 ASN 462 HA -0.08 0.04 0.38 -0.75 4.76 4.35 2ooeA1 ASN 462 HB2 -0.10 0.07 0.09 -0.04 2.88 2.90 2ooeA1 ASN 462 HB3 -0.15 0.04 -0.04 -0.04 2.79 2.59 2ooeA1 ASN 462 HD21 -0.07 0.03 0.01 -0.04 7.03 6.96 2ooeA1 ASN 462 HD22 -0.06 -0.02 0.03 -0.04 7.74 7.65 2ooeA1 THR 463 H -0.14 0.46 -0.28 -0.55 8.28 7.77 2ooeA1 THR 463 HA -0.44 -0.01 0.37 -0.75 4.39 3.57 2ooeA1 THR 463 HB -0.46 0.17 0.06 -0.04 4.32 4.04 2ooeA1 THR 463 HG23 -0.84 -0.01 -0.19 -0.04 1.22 0.14 2ooeA1 ARG 464 H -0.03 0.64 -0.03 -0.55 8.46 8.48 2ooeA1 ARG 464 HA 0.19 -0.00 0.37 -0.75 4.34 4.15 2ooeA1 ARG 464 HB2 0.50 -0.01 0.08 -0.04 1.90 2.43 2ooeA1 ARG 464 HB3 0.16 0.16 0.18 -0.04 1.80 2.26 2ooeA1 ARG 464 HG2 0.16 -0.01 -0.19 -0.04 1.67 1.60 2ooeA1 ARG 464 HG3 0.37 -0.03 0.05 -0.04 1.67 2.01 2ooeA1 ARG 464 HD2 0.16 -0.03 -0.03 -0.04 3.22 3.28 2ooeA1 ARG 464 HD3 0.18 -0.01 -0.03 -0.04 3.22 3.32 2ooeA1 VAL 465 H -0.06 0.42 -0.41 -0.55 8.24 7.63 2ooeA1 VAL 465 HA -0.02 0.01 0.39 -0.75 4.13 3.75 2ooeA1 VAL 465 HB -0.09 0.17 0.18 -0.04 2.12 2.34 2ooeA1 VAL 465 HG13 -0.03 -0.02 -0.07 -0.04 0.97 0.81 2ooeA1 VAL 465 HG23 -0.02 0.12 -0.07 -0.04 0.95 0.95 2ooeA1 LEU 466 H -0.24 0.58 0.05 -0.55 8.37 8.21 2ooeA1 LEU 466 HA -0.21 -0.01 0.42 -0.75 4.35 3.79 2ooeA1 LEU 466 HB2 -0.39 0.01 0.13 -0.04 1.64 1.34 2ooeA1 LEU 466 HB3 -0.59 0.11 0.14 -0.04 1.64 1.26 2ooeA1 LEU 466 HG -0.65 -0.01 -0.13 -0.04 1.64 0.81 2ooeA1 LEU 466 HD13 -0.37 -0.02 0.05 -0.04 0.93 0.54 2ooeA1 LEU 466 HD23 -1.24 -0.01 -0.08 -0.04 0.89 -0.48 2ooeA1 PHE 467 H -0.34 0.60 -0.30 -0.55 8.34 7.75 2ooeA1 PHE 467 HA -0.51 -0.02 0.33 -0.75 4.62 3.68 2ooeA1 PHE 467 HB2 -0.67 0.14 0.15 -0.04 3.15 2.73 2ooeA1 PHE 467 HB3 -1.50 -0.02 -0.08 -0.04 3.06 1.42 2ooeA1 PHE 467 HD2 -0.64 -0.02 -0.17 -0.04 7.28 6.40 2ooeA1 PHE 467 HE2 -0.36 0.00 -0.13 -0.04 7.38 6.85 2ooeA1 PHE 467 HZ -0.07 0.05 -0.38 -0.04 7.32 6.88 2ooeA1 GLU 468 H -0.13 0.56 -0.08 -0.55 8.60 8.42 2ooeA1 GLU 468 HA -0.09 0.01 0.33 -0.75 4.29 3.79 2ooeA1 GLU 468 HB2 0.01 0.15 0.16 -0.04 2.09 2.36 2ooeA1 GLU 468 HB3 -0.01 0.03 0.00 -0.04 1.99 1.97 2ooeA1 GLU 468 HG2 0.07 -0.03 -0.01 -0.04 2.34 2.33 2ooeA1 GLU 468 HG3 0.04 -0.01 0.01 -0.04 2.34 2.34 2ooeA1 ARG 469 H -0.11 0.49 -0.29 -0.55 8.46 7.99 2ooeA1 ARG 469 HA -0.04 0.03 0.44 -0.75 4.34 4.01 2ooeA1 ARG 469 HB2 -0.10 0.06 0.25 -0.04 1.90 2.07 2ooeA1 ARG 469 HB3 -0.04 -0.03 0.04 -0.04 1.80 1.73 2ooeA1 ARG 469 HG2 -0.02 -0.04 0.01 -0.04 1.67 1.58 2ooeA1 ARG 469 HG3 -0.05 0.29 0.04 -0.04 1.67 1.91 2ooeA1 ARG 469 HD2 0.01 -0.04 -0.06 -0.04 3.22 3.08 2ooeA1 ARG 469 HD3 -0.04 -0.04 -0.05 -0.04 3.22 3.05 2ooeA1 VAL 470 H -0.15 0.55 0.09 -0.55 8.24 8.18 2ooeA1 VAL 470 HA -0.07 -0.01 0.32 -0.75 4.13 3.61 2ooeA1 VAL 470 HB -0.21 0.11 0.09 -0.04 2.12 2.07 2ooeA1 VAL 470 HG13 -0.11 -0.02 -0.08 -0.04 0.97 0.72 2ooeA1 VAL 470 HG23 -0.18 0.03 0.09 -0.04 0.95 0.85 2ooeA1 LEU 471 H -0.18 0.41 -0.54 -0.55 8.37 7.51 2ooeA1 LEU 471 HA -0.18 0.12 0.75 -0.75 4.35 4.28 2ooeA1 LEU 471 HB2 -0.32 0.05 -0.00 -0.04 1.64 1.33 2ooeA1 LEU 471 HB3 -0.53 -0.06 0.09 -0.04 1.64 1.10 2ooeA1 LEU 471 HG -0.43 0.26 -0.03 -0.04 1.64 1.39 2ooeA1 LEU 471 HD13 -1.60 -0.03 -0.11 -0.04 0.93 -0.86 2ooeA1 LEU 471 HD23 -0.59 -0.03 -0.13 -0.04 0.89 0.10 2ooeA1 THR 472 H -0.06 0.60 0.04 -0.55 8.28 8.31 2ooeA1 THR 472 HA 0.02 0.16 1.04 -0.75 4.39 4.85 2ooeA1 THR 472 HB -0.00 0.02 0.12 -0.04 4.32 4.42 2ooeA1 THR 472 HG23 0.03 -0.04 0.08 -0.04 1.22 1.25 2ooeA1 SER 473 H -0.03 1.05 0.27 -0.55 8.46 9.21 2ooeA1 SER 473 HA -0.01 0.05 0.43 -0.75 4.49 4.21 2ooeA1 SER 473 HB2 -0.02 0.01 -0.08 -0.04 3.95 3.82 2ooeA1 SER 473 HB3 -0.01 -0.02 0.12 -0.04 3.93 3.97 2ooeA1 GLY 474 H -0.01 0.06 -1.09 -0.55 8.43 6.85 2ooeA1 GLY 474 HA2 -0.00 0.08 0.18 -0.51 4.01 3.76 2ooeA1 GLY 474 HA3 -0.00 0.04 0.17 -0.51 4.01 3.71 2ooeA1 SER 475 H -0.01 0.16 -0.75 -0.55 8.46 7.32 2ooeA1 SER 475 HA -0.01 0.06 0.50 -0.75 4.49 4.28 2ooeA1 SER 475 HB2 -0.01 -0.04 0.01 -0.04 3.95 3.87 2ooeA1 SER 475 HB3 -0.01 0.00 0.09 -0.04 3.93 3.97 2ooeA1 LEU 476 H -0.01 0.05 -0.49 -0.55 8.37 7.37 2ooeA1 LEU 476 HA 0.01 0.17 0.89 -0.75 4.35 4.66 2ooeA1 LEU 476 HB2 -0.00 0.14 -0.00 -0.04 1.64 1.73 2ooeA1 LEU 476 HB3 -0.02 0.07 0.06 -0.04 1.64 1.71 2ooeA1 LEU 476 HG 0.02 -0.00 -0.47 -0.04 1.64 1.14 2ooeA1 LEU 476 HD13 0.02 0.00 -0.14 -0.04 0.93 0.77 2ooeA1 LEU 476 HD23 -0.01 -0.01 -0.11 -0.04 0.89 0.71 2ooeA1 PRO 477 HA -0.00 0.17 0.46 -0.51 4.44 4.56 2ooeA1 PRO 477 HB2 0.01 -0.11 0.14 -0.04 2.28 2.29 2ooeA1 PRO 477 HB3 -0.00 0.02 0.10 -0.04 2.02 2.10 2ooeA1 PRO 477 HG2 0.01 0.02 0.10 -0.04 2.03 2.12 2ooeA1 PRO 477 HG3 0.00 0.10 0.03 -0.04 2.03 2.12 2ooeA1 PRO 477 HD2 0.02 0.06 0.21 -0.04 3.68 3.93 2ooeA1 PRO 477 HD3 0.01 0.37 0.17 -0.04 3.65 4.16 2ooeA1 PRO 478 HA 0.05 0.05 0.35 -0.51 4.44 4.38 2ooeA1 PRO 478 HB2 -0.26 0.08 0.02 -0.04 2.28 2.08 2ooeA1 PRO 478 HB3 -0.01 0.08 0.16 -0.04 2.02 2.21 2ooeA1 PRO 478 HG2 -0.09 -0.07 0.12 -0.04 2.03 1.95 2ooeA1 PRO 478 HG3 -0.05 0.08 0.13 -0.04 2.03 2.15 2ooeA1 PRO 478 HD2 -0.02 0.06 0.26 -0.04 3.68 3.94 2ooeA1 PRO 478 HD3 -0.00 0.25 0.26 -0.04 3.65 4.12 2ooeA1 GLU 479 H -0.06 0.12 -0.32 -0.55 8.60 7.78 2ooeA1 GLU 479 HA -0.07 0.05 0.37 -0.75 4.29 3.89 2ooeA1 GLU 479 HB2 0.01 0.02 0.01 -0.04 2.09 2.09 2ooeA1 GLU 479 HB3 0.02 -0.00 0.07 -0.04 1.99 2.04 2ooeA1 GLU 479 HG2 -0.03 0.02 0.04 -0.04 2.34 2.33 2ooeA1 GLU 479 HG3 -0.07 0.01 0.07 -0.04 2.34 2.32 2ooeA1 LYS 480 H 0.06 0.83 -0.36 -0.55 8.42 8.39 2ooeA1 LYS 480 HA 0.13 0.12 0.90 -0.75 4.32 4.71 2ooeA1 LYS 480 HB2 0.05 0.14 0.12 -0.04 1.87 2.13 2ooeA1 LYS 480 HB3 0.06 -0.10 0.21 -0.04 1.79 1.92 2ooeA1 LYS 480 HG2 0.06 0.01 -0.09 -0.04 1.46 1.40 2ooeA1 LYS 480 HG3 0.04 -0.07 -0.13 -0.04 1.46 1.27 2ooeA1 LYS 480 HD2 0.03 0.08 0.08 -0.04 1.69 1.85 2ooeA1 LYS 480 HD3 0.04 -0.05 0.08 -0.04 1.68 1.71 2ooeA1 LYS 480 HE2 0.03 -0.02 0.01 -0.04 2.99 2.97 2ooeA1 LYS 480 HE3 0.03 -0.01 0.02 -0.04 2.99 2.99 2ooeA1 SER 481 H 0.34 0.58 -0.18 -0.55 8.46 8.65 2ooeA1 SER 481 HA 0.13 0.15 0.92 -0.75 4.49 4.94 2ooeA1 SER 481 HB2 0.06 -0.11 0.08 -0.04 3.95 3.94 2ooeA1 SER 481 HB3 0.09 0.10 -0.17 -0.04 3.93 3.90 2ooeA1 GLY 482 H 0.39 0.23 -0.03 -0.55 8.43 8.47 2ooeA1 GLY 482 HA2 0.10 0.10 0.32 -0.51 4.01 4.02 2ooeA1 GLY 482 HA3 0.01 0.11 0.29 -0.51 4.01 3.90 2ooeA1 GLU 483 H 0.12 0.13 -0.25 -0.55 8.60 8.05 2ooeA1 GLU 483 HA 0.10 0.08 0.32 -0.75 4.29 4.04 2ooeA1 GLU 483 HB2 0.07 -0.00 -0.02 -0.04 2.09 2.10 2ooeA1 GLU 483 HB3 0.07 0.02 -0.09 -0.04 1.99 1.94 2ooeA1 GLU 483 HG2 0.06 0.03 0.01 -0.04 2.34 2.40 2ooeA1 GLU 483 HG3 0.06 -0.01 -0.01 -0.04 2.34 2.35 2ooeA1 ILE 484 H 0.12 0.28 -0.38 -0.55 8.25 7.72 2ooeA1 ILE 484 HA 0.11 0.01 0.40 -0.75 4.18 3.94 2ooeA1 ILE 484 HB -0.12 0.09 0.12 -0.04 1.89 1.94 2ooeA1 ILE 484 HG12 0.05 -0.03 0.08 -0.04 1.49 1.55 2ooeA1 ILE 484 HG13 -0.04 0.07 0.00 -0.04 1.21 1.20 2ooeA1 ILE 484 HG23 -0.04 -0.01 -0.11 -0.04 0.93 0.73 2ooeA1 ILE 484 HD13 -0.01 -0.02 -0.09 -0.04 0.88 0.71 2ooeA1 TRP 485 H 0.25 0.48 0.01 -0.55 7.97 8.16 2ooeA1 TRP 485 HA 0.21 -0.02 0.30 -0.75 4.62 4.36 2ooeA1 TRP 485 HB2 0.13 0.13 0.09 -0.04 3.23 3.54 2ooeA1 TRP 485 HB3 0.13 -0.01 -0.02 -0.04 3.23 3.29 2ooeA1 TRP 485 HD1 0.49 -0.04 -0.20 -0.04 7.22 7.43 2ooeA1 TRP 485 HE1 0.20 0.02 -0.02 -0.04 10.20 10.36 2ooeA1 TRP 485 HE3 0.19 -0.05 0.04 -0.04 7.59 7.73 2ooeA1 TRP 485 HZ2 0.11 0.06 -0.06 -0.04 7.44 7.52 2ooeA1 TRP 485 HZ3 0.18 -0.06 0.03 -0.04 7.13 7.23 2ooeA1 TRP 485 HH2 0.14 -0.01 -0.05 -0.04 7.19 7.23 2ooeA1 ALA 486 H 0.26 0.35 -0.77 -0.55 8.40 7.69 2ooeA1 ALA 486 HA 0.14 0.04 0.44 -0.75 4.34 4.20 2ooeA1 ALA 486 HB3 0.11 0.07 0.09 -0.04 1.41 1.65 2ooeA1 ARG 487 H 0.17 0.67 0.19 -0.55 8.46 8.94 2ooeA1 ARG 487 HA 0.17 -0.01 0.32 -0.75 4.34 4.06 2ooeA1 ARG 487 HB2 0.31 0.07 0.16 -0.04 1.90 2.39 2ooeA1 ARG 487 HB3 0.30 -0.07 0.01 -0.04 1.80 2.00 2ooeA1 ARG 487 HG2 0.11 0.21 0.12 -0.04 1.67 2.07 2ooeA1 ARG 487 HG3 0.07 -0.09 0.00 -0.04 1.67 1.61 2ooeA1 ARG 487 HD2 0.10 -0.01 0.02 -0.04 3.22 3.29 2ooeA1 ARG 487 HD3 0.10 0.01 0.00 -0.04 3.22 3.28 2ooeA1 PHE 488 H 0.17 0.63 -0.54 -0.55 8.34 8.04 2ooeA1 PHE 488 HA -1.34 -0.02 0.34 -0.75 4.62 2.84 2ooeA1 PHE 488 HB2 -0.46 0.03 -0.06 -0.04 3.15 2.61 2ooeA1 PHE 488 HB3 -0.05 0.14 0.08 -0.04 3.06 3.19 2ooeA1 PHE 488 HD2 -0.43 -0.01 0.01 -0.04 7.28 6.81 2ooeA1 PHE 488 HE2 0.11 -0.01 -0.06 -0.04 7.38 7.37 2ooeA1 PHE 488 HZ 0.06 -0.01 -0.02 -0.04 7.32 7.30 2ooeA1 LEU 489 H 0.11 0.61 0.02 -0.55 8.37 8.56 2ooeA1 LEU 489 HA -0.14 -0.06 0.36 -0.75 4.35 3.75 2ooeA1 LEU 489 HB2 0.04 0.15 0.15 -0.04 1.64 1.94 2ooeA1 LEU 489 HB3 -0.04 -0.00 -0.04 -0.04 1.64 1.51 2ooeA1 LEU 489 HG 0.08 0.14 0.08 -0.04 1.64 1.89 2ooeA1 LEU 489 HD13 -0.01 -0.01 -0.06 -0.04 0.93 0.80 2ooeA1 LEU 489 HD23 -0.12 -0.05 -0.04 -0.04 0.89 0.64 2ooeA1 ALA 490 H 0.09 0.58 -0.30 -0.55 8.40 8.23 2ooeA1 ALA 490 HA 0.06 0.09 0.38 -0.75 4.34 4.11 2ooeA1 ALA 490 HB3 0.13 0.03 0.03 -0.04 1.41 1.56 2ooeA1 PHE 491 H 0.23 0.44 -0.37 -0.55 8.34 8.09 2ooeA1 PHE 491 HA 0.09 0.00 0.55 -0.75 4.62 4.51 2ooeA1 PHE 491 HB2 0.27 -0.01 0.09 -0.04 3.15 3.46 2ooeA1 PHE 491 HB3 0.07 0.23 0.27 -0.04 3.06 3.59 2ooeA1 PHE 491 HD2 0.22 0.05 -0.03 -0.04 7.28 7.48 2ooeA1 PHE 491 HE2 0.16 -0.05 -0.06 -0.04 7.38 7.39 2ooeA1 PHE 491 HZ 0.09 -0.02 0.01 -0.04 7.32 7.36 2ooeA1 GLU 492 H -0.04 0.74 0.10 -0.55 8.60 8.86 2ooeA1 GLU 492 HA -0.41 -0.08 0.26 -0.75 4.29 3.31 2ooeA1 GLU 492 HB2 -0.25 0.06 0.02 -0.04 2.09 1.87 2ooeA1 GLU 492 HB3 -0.22 -0.11 -0.13 -0.04 1.99 1.50 2ooeA1 GLU 492 HG2 -0.58 0.03 -0.08 -0.04 2.34 1.67 2ooeA1 GLU 492 HG3 -0.39 0.03 -0.08 -0.04 2.34 1.85 2ooeA1 SER 493 H -0.08 0.05 -1.08 -0.55 8.46 6.80 2ooeA1 SER 493 HA -0.08 0.02 0.73 -0.75 4.49 4.40 2ooeA1 SER 493 HB2 -0.05 -0.01 0.00 -0.04 3.95 3.85 2ooeA1 SER 493 HB3 -0.01 0.06 0.10 -0.04 3.93 4.04 2ooeA1 ASN 494 H -0.06 0.21 -0.05 -0.55 8.53 8.08 2ooeA1 ASN 494 HA -0.02 0.01 0.56 -0.75 4.76 4.55 2ooeA1 ASN 494 HB2 0.02 0.03 0.30 -0.04 2.88 3.19 2ooeA1 ASN 494 HB3 0.02 -0.10 0.05 -0.04 2.79 2.72 2ooeA1 ASN 494 HD21 0.10 -0.05 0.02 -0.04 7.03 7.07 2ooeA1 ASN 494 HD22 0.07 -0.05 0.03 -0.04 7.74 7.75 2ooeA1 ILE 495 H -0.21 0.21 0.09 -0.55 8.25 7.79 2ooeA1 ILE 495 HA -0.08 0.09 0.61 -0.75 4.18 4.04 2ooeA1 ILE 495 HB -0.10 -0.14 0.17 -0.04 1.89 1.78 2ooeA1 ILE 495 HG12 -0.35 -0.08 0.01 -0.04 1.49 1.03 2ooeA1 ILE 495 HG13 -0.65 0.34 -0.01 -0.04 1.21 0.85 2ooeA1 ILE 495 HG23 -0.00 -0.01 0.01 -0.04 0.93 0.89 2ooeA1 ILE 495 HD13 -0.46 -0.02 -0.15 -0.04 0.88 0.20 2ooeA1 GLY 496 H -0.12 -0.04 0.08 -0.55 8.43 7.80 2ooeA1 GLY 496 HA2 -0.11 -0.12 0.35 -0.51 4.01 3.63 2ooeA1 GLY 496 HA3 -0.19 0.14 0.38 -0.51 4.01 3.83 2ooeA1 ASP 497 H -0.09 0.03 0.23 -0.55 8.40 8.02 2ooeA1 ASP 497 HA -0.06 0.38 0.71 -0.75 4.63 4.91 2ooeA1 ASP 497 HB2 -0.04 -0.06 0.15 -0.04 2.71 2.72 2ooeA1 ASP 497 HB3 -0.04 0.17 -0.22 -0.04 2.70 2.56 2ooeA1 LEU 498 H -0.04 0.24 0.17 -0.55 8.37 8.19 2ooeA1 LEU 498 HA -0.05 0.14 0.36 -0.75 4.35 4.05 2ooeA1 LEU 498 HB2 -0.02 0.09 0.18 -0.04 1.64 1.85 2ooeA1 LEU 498 HB3 -0.02 -0.05 0.12 -0.04 1.64 1.64 2ooeA1 LEU 498 HG -0.03 -0.04 -0.13 -0.04 1.64 1.40 2ooeA1 LEU 498 HD13 -0.01 0.02 0.06 -0.04 0.93 0.96 2ooeA1 LEU 498 HD23 -0.01 0.01 0.01 -0.04 0.89 0.86 2ooeA1 ALA 499 H -0.04 0.10 -0.15 -0.55 8.40 7.77 2ooeA1 ALA 499 HA -0.04 0.09 0.50 -0.75 4.34 4.15 2ooeA1 ALA 499 HB3 -0.03 0.02 0.07 -0.04 1.41 1.43 2ooeA1 SER 500 H -0.06 0.21 -0.03 -0.55 8.46 8.04 2ooeA1 SER 500 HA -0.06 0.03 0.50 -0.75 4.49 4.20 2ooeA1 SER 500 HB2 -0.11 0.04 0.09 -0.04 3.95 3.93 2ooeA1 SER 500 HB3 -0.06 -0.04 0.15 -0.04 3.93 3.94 2ooeA1 ILE 501 H -0.09 0.38 -0.29 -0.55 8.25 7.70 2ooeA1 ILE 501 HA -0.15 0.06 0.43 -0.75 4.18 3.77 2ooeA1 ILE 501 HB -0.08 0.05 0.09 -0.04 1.89 1.90 2ooeA1 ILE 501 HG12 -0.12 0.03 -0.29 -0.04 1.49 1.06 2ooeA1 ILE 501 HG13 -0.10 0.00 -0.25 -0.04 1.21 0.81 2ooeA1 ILE 501 HG23 -0.12 -0.00 -0.15 -0.04 0.93 0.62 2ooeA1 ILE 501 HD13 -0.08 0.02 -0.09 -0.04 0.88 0.70 2ooeA1 LEU 502 H -0.07 0.63 0.05 -0.55 8.37 8.43 2ooeA1 LEU 502 HA -0.08 0.02 0.39 -0.75 4.35 3.93 2ooeA1 LEU 502 HB2 -0.05 0.07 0.17 -0.04 1.64 1.79 2ooeA1 LEU 502 HB3 -0.05 -0.05 0.05 -0.04 1.64 1.55 2ooeA1 LEU 502 HG -0.05 0.37 0.17 -0.04 1.64 2.08 2ooeA1 LEU 502 HD13 -0.03 -0.04 -0.03 -0.04 0.93 0.79 2ooeA1 LEU 502 HD23 -0.06 -0.01 0.01 -0.04 0.89 0.79 2ooeA1 LYS 503 H -0.06 0.48 -0.34 -0.55 8.42 7.94 2ooeA1 LYS 503 HA -0.03 0.00 0.37 -0.75 4.32 3.91 2ooeA1 LYS 503 HB2 -0.04 0.22 0.22 -0.04 1.87 2.23 2ooeA1 LYS 503 HB3 -0.03 0.02 0.07 -0.04 1.79 1.80 2ooeA1 LYS 503 HG2 0.02 -0.01 -0.03 -0.04 1.46 1.39 2ooeA1 LYS 503 HG3 -0.00 -0.03 0.03 -0.04 1.46 1.41 2ooeA1 LYS 503 HD2 -0.00 -0.03 -0.02 -0.04 1.69 1.61 2ooeA1 LYS 503 HD3 0.01 -0.03 -0.02 -0.04 1.68 1.60 2ooeA1 LYS 503 HE2 -0.02 -0.04 -0.00 -0.04 2.99 2.89 2ooeA1 LYS 503 HE3 -0.03 0.43 -0.11 -0.04 2.99 3.24 2ooeA1 VAL 504 H -0.12 0.52 -0.01 -0.55 8.24 8.09 2ooeA1 VAL 504 HA 0.10 -0.00 0.39 -0.75 4.13 3.86 2ooeA1 VAL 504 HB -0.25 0.12 0.12 -0.04 2.12 2.07 2ooeA1 VAL 504 HG13 0.09 -0.02 -0.12 -0.04 0.97 0.88 2ooeA1 VAL 504 HG23 -0.73 0.02 0.04 -0.04 0.95 0.24 2ooeA1 GLU 505 H -0.10 0.59 -0.35 -0.55 8.60 8.20 2ooeA1 GLU 505 HA -0.10 0.00 0.36 -0.75 4.29 3.80 2ooeA1 GLU 505 HB2 -0.10 0.42 0.16 -0.04 2.09 2.53 2ooeA1 GLU 505 HB3 -0.09 0.05 0.15 -0.04 1.99 2.06 2ooeA1 GLU 505 HG2 -0.10 -0.06 -0.10 -0.04 2.34 2.04 2ooeA1 GLU 505 HG3 -0.10 0.01 -0.03 -0.04 2.34 2.18 2ooeA1 LYS 506 H -0.07 0.80 0.05 -0.55 8.42 8.65 2ooeA1 LYS 506 HA -0.04 -0.03 0.38 -0.75 4.32 3.88 2ooeA1 LYS 506 HB2 -0.04 0.12 0.14 -0.04 1.87 2.06 2ooeA1 LYS 506 HB3 -0.02 -0.07 0.05 -0.04 1.79 1.71 2ooeA1 LYS 506 HG2 -0.10 -0.07 0.05 -0.04 1.46 1.30 2ooeA1 LYS 506 HG3 -0.07 0.21 0.12 -0.04 1.46 1.68 2ooeA1 LYS 506 HD2 -0.04 -0.00 -0.03 -0.04 1.69 1.58 2ooeA1 LYS 506 HD3 -0.04 -0.03 0.01 -0.04 1.68 1.57 2ooeA1 LYS 506 HE2 -0.08 -0.02 -0.00 -0.04 2.99 2.85 2ooeA1 LYS 506 HE3 -0.06 -0.00 -0.01 -0.04 2.99 2.88 2ooeA1 ARG 507 H -0.11 0.45 -0.41 -0.55 8.46 7.83 2ooeA1 ARG 507 HA -0.07 0.02 0.56 -0.75 4.34 4.09 2ooeA1 ARG 507 HB2 -0.16 0.16 0.17 -0.04 1.90 2.03 2ooeA1 ARG 507 HB3 0.06 -0.04 0.02 -0.04 1.80 1.79 2ooeA1 ARG 507 HG2 0.06 -0.07 -0.01 -0.04 1.67 1.61 2ooeA1 ARG 507 HG3 0.06 0.29 0.00 -0.04 1.67 1.98 2ooeA1 ARG 507 HD2 0.26 -0.01 -0.01 -0.04 3.22 3.42 2ooeA1 ARG 507 HD3 0.16 -0.04 -0.05 -0.04 3.22 3.25 2ooeA1 ARG 508 H -0.61 0.74 0.06 -0.55 8.46 8.10 2ooeA1 ARG 508 HA -1.91 -0.04 0.37 -0.75 4.34 2.01 2ooeA1 ARG 508 HB2 -0.47 0.13 0.15 -0.04 1.90 1.67 2ooeA1 ARG 508 HB3 -0.21 0.12 0.08 -0.04 1.80 1.74 2ooeA1 ARG 508 HG2 -0.59 -0.08 0.04 -0.04 1.67 1.00 2ooeA1 ARG 508 HG3 0.10 -0.01 -0.07 -0.04 1.67 1.65 2ooeA1 ARG 508 HD2 0.05 0.03 -0.26 -0.04 3.22 2.99 2ooeA1 ARG 508 HD3 0.01 -0.07 -0.09 -0.04 3.22 3.03 2ooeA1 PHE 509 H -0.01 0.39 -0.44 -0.55 8.34 7.73 2ooeA1 PHE 509 HA 0.15 0.05 0.32 -0.75 4.62 4.38 2ooeA1 PHE 509 HB2 -0.05 0.03 -0.02 -0.04 3.15 3.08 2ooeA1 PHE 509 HB3 -0.05 0.13 0.03 -0.04 3.06 3.12 2ooeA1 PHE 509 HD2 0.02 0.03 -0.17 -0.04 7.28 7.12 2ooeA1 PHE 509 HE2 0.03 0.12 -0.09 -0.04 7.38 7.41 2ooeA1 PHE 509 HZ 0.03 -0.10 -0.02 -0.04 7.32 7.19 2ooeA1 THR 510 H 0.03 0.44 -0.13 -0.55 8.28 8.07 2ooeA1 THR 510 HA 0.00 -0.01 0.44 -0.75 4.39 4.07 2ooeA1 THR 510 HB -0.02 0.12 0.21 -0.04 4.32 4.59 2ooeA1 THR 510 HG23 0.00 -0.02 -0.05 -0.04 1.22 1.11 2ooeA1 ALA 511 H -0.13 0.53 -0.26 -0.55 8.40 7.99 2ooeA1 ALA 511 HA -0.14 0.04 0.47 -0.75 4.34 3.96 2ooeA1 ALA 511 HB3 -0.09 0.02 0.06 -0.04 1.41 1.36 2ooeA1 PHE 512 H -0.02 0.36 -0.41 -0.55 8.34 7.72 2ooeA1 PHE 512 HA -0.27 0.12 0.84 -0.75 4.62 4.56 2ooeA1 PHE 512 HB2 -0.66 0.11 0.03 -0.04 3.15 2.59 2ooeA1 PHE 512 HB3 -0.91 -0.12 0.09 -0.04 3.06 2.08 2ooeA1 PHE 512 HD2 -0.30 0.23 0.02 -0.04 7.28 7.19 2ooeA1 PHE 512 HE2 0.11 0.02 -0.01 -0.04 7.38 7.46 2ooeA1 PHE 512 HZ 0.22 -0.22 -0.04 -0.04 7.32 7.23 2ooeA1 ARG 513 H -0.23 0.32 -0.42 -0.55 8.46 7.58 2ooeA1 ARG 513 HA -0.81 0.06 0.32 -0.75 4.34 3.15 2ooeA1 ARG 513 HB2 -0.17 0.17 0.20 -0.04 1.90 2.06 2ooeA1 ARG 513 HB3 -0.14 -0.07 0.06 -0.04 1.80 1.61 2ooeA1 ARG 513 HG2 -0.08 -0.04 -0.09 -0.04 1.67 1.42 2ooeA1 ARG 513 HG3 -0.08 -0.03 0.04 -0.04 1.67 1.56 2ooeA1 ARG 513 HD2 -0.01 0.04 0.05 -0.04 3.22 3.26 2ooeA1 ARG 513 HD3 -0.03 -0.01 0.01 -0.04 3.22 3.14 2ooeA1 GLU 514 H -0.16 0.06 -0.49 -0.55 8.60 7.46 2ooeA1 GLU 514 HA -0.07 0.07 0.42 -0.75 4.29 3.96 2ooeA1 GLU 514 HB2 -0.08 0.01 0.08 -0.04 2.09 2.06 2ooeA1 GLU 514 HB3 -0.09 -0.07 0.14 -0.04 1.99 1.93 2ooeA1 GLU 514 HG2 -0.04 -0.00 0.01 -0.04 2.34 2.27 2ooeA1 GLU 514 HG3 -0.03 0.04 -0.15 -0.04 2.34 2.15 2ooeA1 GLU 515 H -0.10 0.09 0.04 -0.55 8.60 8.09 2ooeA1 GLU 515 HA 0.01 0.11 0.44 -0.75 4.29 4.10 2ooeA1 GLU 515 HB2 0.01 0.01 0.18 -0.04 2.09 2.24 2ooeA1 GLU 515 HB3 -0.03 -0.06 0.14 -0.04 1.99 2.00 2ooeA1 GLU 515 HG2 -0.26 -0.01 -0.00 -0.04 2.34 2.02 2ooeA1 GLU 515 HG3 -0.20 0.05 -0.24 -0.04 2.34 1.91 2ooeA1 TYR 516 H -0.06 0.32 -0.75 -0.55 8.29 7.25 2ooeA1 TYR 516 HA 0.01 0.19 0.92 -0.75 4.56 4.93 2ooeA1 TYR 516 HB2 -0.33 0.26 -0.15 -0.04 3.06 2.81 2ooeA1 TYR 516 HB3 0.05 -0.13 -0.03 -0.04 2.98 2.83 2ooeA1 TYR 516 HD2 -0.05 0.15 -0.16 -0.04 7.15 7.06 2ooeA1 TYR 516 HE2 -0.30 0.00 -0.08 -0.04 6.85 6.43 2ooeA1 GLU 517 H 0.03 0.45 0.03 -0.55 8.60 8.56 2ooeA1 GLU 517 HA 0.36 -0.03 0.60 -0.75 4.29 4.46 2ooeA1 GLU 517 HB2 0.05 0.12 0.28 -0.04 2.09 2.49 2ooeA1 GLU 517 HB3 0.11 -0.08 0.06 -0.04 1.99 2.03 2ooeA1 GLU 517 HG2 0.22 -0.13 0.10 -0.04 2.34 2.50 2ooeA1 GLU 517 HG3 -0.07 0.78 0.30 -0.04 2.34 3.30 2ooeA1 GLY 518 H 0.19 0.11 0.22 -0.55 8.43 8.40 2ooeA1 GLY 518 HA2 0.07 -0.02 0.42 -0.51 4.01 3.96 2ooeA1 GLY 518 HA3 0.07 0.24 0.69 -0.51 4.01 4.49 2ooeA1 LYS 519 H 0.14 0.38 -0.69 -0.55 8.42 7.69 2ooeA1 LYS 519 HA 0.04 0.19 0.66 -0.75 4.32 4.46 2ooeA1 LYS 519 HB2 0.06 0.09 -0.01 -0.04 1.87 1.96 2ooeA1 LYS 519 HB3 -0.00 -0.05 0.11 -0.04 1.79 1.80 2ooeA1 LYS 519 HG2 0.08 0.03 -0.19 -0.04 1.46 1.34 2ooeA1 LYS 519 HG3 0.09 0.09 -0.00 -0.04 1.46 1.60 2ooeA1 LYS 519 HD2 0.04 0.06 0.04 -0.04 1.69 1.79 2ooeA1 LYS 519 HD3 0.04 0.02 -0.04 -0.04 1.68 1.65 2ooeA1 LYS 519 HE2 0.05 -0.01 -0.05 -0.04 2.99 2.94 2ooeA1 LYS 519 HE3 0.05 0.00 0.01 -0.04 2.99 3.00 2ooeA1 GLU 520 H 0.06 0.05 -0.47 -0.55 8.60 7.70 2ooeA1 GLU 520 HA -0.02 0.12 0.32 -0.75 4.29 3.96 2ooeA1 GLU 520 HB2 -0.04 -0.02 0.05 -0.04 2.09 2.04 2ooeA1 GLU 520 HB3 -0.12 0.03 0.01 -0.04 1.99 1.87 2ooeA1 GLU 520 HG2 -0.27 0.04 0.03 -0.04 2.34 2.10 2ooeA1 GLU 520 HG3 0.05 0.12 0.08 -0.04 2.34 2.54 2ooeA1 THR 521 H 0.00 0.20 -0.18 -0.55 8.28 7.75 2ooeA1 THR 521 HA -0.00 0.06 0.42 -0.75 4.39 4.12 2ooeA1 THR 521 HB 0.02 0.08 0.06 -0.04 4.32 4.43 2ooeA1 THR 521 HG23 0.01 0.01 -0.08 -0.04 1.22 1.12 2ooeA1 ALA 522 H 0.03 0.21 -0.16 -0.55 8.40 7.92 2ooeA1 ALA 522 HA 0.12 -0.02 0.28 -0.75 4.34 3.96 2ooeA1 ALA 522 HB3 0.08 0.09 -0.17 -0.04 1.41 1.36 2ooeA1 LEU 523 H -0.02 0.31 -0.70 -0.55 8.37 7.40 2ooeA1 LEU 523 HA -0.07 0.04 0.50 -0.75 4.35 4.08 2ooeA1 LEU 523 HB2 -0.16 0.22 0.03 -0.04 1.64 1.69 2ooeA1 LEU 523 HB3 -0.11 0.14 0.08 -0.04 1.64 1.71 2ooeA1 LEU 523 HG -0.19 -0.04 -0.08 -0.04 1.64 1.28 2ooeA1 LEU 523 HD13 -0.59 -0.00 -0.05 -0.04 0.93 0.25 2ooeA1 LEU 523 HD23 -0.22 -0.01 -0.11 -0.04 0.89 0.51 2ooeA1 LEU 524 H -0.03 0.44 0.10 -0.55 8.37 8.34 2ooeA1 LEU 524 HA -0.11 0.00 0.38 -0.75 4.35 3.87 2ooeA1 LEU 524 HB2 -0.04 -0.01 0.11 -0.04 1.64 1.66 2ooeA1 LEU 524 HB3 0.01 0.12 0.23 -0.04 1.64 1.95 2ooeA1 LEU 524 HG 0.16 0.00 -0.21 -0.04 1.64 1.55 2ooeA1 LEU 524 HD13 -0.00 -0.01 0.02 -0.04 0.93 0.89 2ooeA1 LEU 524 HD23 0.06 -0.02 -0.03 -0.04 0.89 0.86 2ooeA1 VAL 525 H 0.03 0.41 -0.49 -0.55 8.24 7.64 2ooeA1 VAL 525 HA 0.08 -0.01 0.29 -0.75 4.13 3.74 2ooeA1 VAL 525 HB 0.03 0.23 -0.02 -0.04 2.12 2.32 2ooeA1 VAL 525 HG13 -0.33 -0.03 -0.13 -0.04 0.97 0.44 2ooeA1 VAL 525 HG23 -0.05 0.05 -0.03 -0.04 0.95 0.88 2ooeA1 ASP 526 H 0.05 0.46 -0.36 -0.55 8.40 7.99 2ooeA1 ASP 526 HA 0.08 0.04 0.54 -0.75 4.63 4.53 2ooeA1 ASP 526 HB2 0.02 0.20 0.08 -0.04 2.71 2.97 2ooeA1 ASP 526 HB3 0.04 -0.02 0.04 -0.04 2.70 2.71 2ooeA1 ARG 527 H -0.19 0.51 -0.36 -0.55 8.46 7.87 2ooeA1 ARG 527 HA -0.20 0.07 0.45 -0.75 4.34 3.90 2ooeA1 ARG 527 HB2 -0.33 -0.07 0.08 -0.04 1.90 1.54 2ooeA1 ARG 527 HB3 -0.92 0.16 0.11 -0.04 1.80 1.10 2ooeA1 ARG 527 HG2 -0.91 -0.02 -0.10 -0.04 1.67 0.59 2ooeA1 ARG 527 HG3 -0.32 0.03 0.07 -0.04 1.67 1.41 2ooeA1 ARG 527 HD2 -0.19 -0.05 -0.04 -0.04 3.22 2.89 2ooeA1 ARG 527 HD3 -0.25 -0.00 -0.02 -0.04 3.22 2.91 2ooeA1 TYR 528 H -0.08 0.18 -0.33 -0.55 8.29 7.50 2ooeA1 TYR 528 HA -0.00 0.27 1.02 -0.75 4.56 5.09 2ooeA1 TYR 528 HB2 -0.01 0.00 -0.02 -0.04 3.06 2.99 2ooeA1 TYR 528 HB3 -0.01 -0.05 0.01 -0.04 2.98 2.88 2ooeA1 TYR 528 HD2 -0.02 0.05 -0.08 -0.04 7.15 7.06 2ooeA1 TYR 528 HE2 -0.03 -0.04 -0.07 -0.04 6.85 6.67 2ooeA1 LYS 529 H 0.06 0.21 0.11 -0.55 8.42 8.25 2ooeA1 LYS 529 HA -0.03 0.04 0.51 -0.75 4.32 4.09 2ooeA1 LYS 529 HB2 -0.58 0.23 0.15 -0.04 1.87 1.62 2ooeA1 LYS 529 HB3 -0.03 -0.06 0.20 -0.04 1.79 1.85 2ooeA1 LYS 529 HG2 0.09 -0.07 -0.03 -0.04 1.46 1.42 2ooeA1 LYS 529 HG3 -0.01 0.03 0.03 -0.04 1.46 1.47 2ooeA1 LYS 529 HD2 -0.29 0.05 -0.31 -0.04 1.69 1.10 2ooeA1 LYS 529 HD3 -0.39 -0.05 -0.14 -0.04 1.68 1.06 2ooeA1 LYS 529 HE2 0.22 -0.06 -0.06 -0.04 2.99 3.04 2ooeA1 LYS 529 HE3 0.04 0.00 -0.07 -0.04 2.99 2.92 2ooeA1 PHE 530 H -0.04 0.39 0.23 -0.55 8.34 8.37 2ooeA1 PHE 530 HA -0.06 0.12 0.77 -0.75 4.62 4.69 2ooeA1 PHE 530 HB2 -0.02 0.15 -0.09 -0.04 3.15 3.15 2ooeA1 PHE 530 HB3 -0.04 -0.05 0.09 -0.04 3.06 3.02 2ooeA1 PHE 530 HD2 -0.01 0.03 -0.03 -0.04 7.28 7.22 2ooeA1 PHE 530 HE2 0.01 -0.01 -0.03 -0.04 7.38 7.31 2ooeA1 PHE 530 HZ 0.01 -0.02 -0.02 -0.04 7.32 7.25 2ooeA1 MET 531 H -0.59 0.17 0.09 -0.55 8.47 7.59 2ooeA1 MET 531 HA -0.34 0.05 0.31 -0.75 4.52 3.79 2ooeA1 MET 531 HB2 -0.50 0.12 -0.08 -0.04 2.15 1.65 2ooeA1 MET 531 HB3 -0.27 -0.08 0.21 -0.04 2.03 1.85 2ooeA1 MET 531 HG2 -0.48 0.03 0.05 -0.04 2.63 2.19 2ooeA1 MET 531 HG3 -1.89 -0.01 -0.03 -0.04 2.56 0.59 2ooeA1 MET 531 HE3 -0.06 -0.00 0.01 -0.04 2.10 2.01 2ooeA1 ASP 532 H -0.13 0.10 0.17 -0.55 8.40 8.00 2ooeA1 ASP 532 HA 0.02 0.17 0.62 -0.75 4.63 4.68 2ooeA1 ASP 532 HB2 0.09 -0.01 0.19 -0.04 2.71 2.94 2ooeA1 ASP 532 HB3 0.02 -0.02 0.09 -0.04 2.70 2.75 2ooeA1 LEU 533 H -0.23 0.60 -0.53 -0.55 8.37 7.67 2ooeA1 LEU 533 HA 0.04 0.11 0.95 -0.75 4.35 4.69 2ooeA1 LEU 533 HB2 0.02 0.07 0.18 -0.04 1.64 1.87 2ooeA1 LEU 533 HB3 0.03 -0.01 0.00 -0.04 1.64 1.63 2ooeA1 LEU 533 HG 0.04 -0.10 -0.07 -0.04 1.64 1.48 2ooeA1 LEU 533 HD13 0.16 -0.00 -0.01 -0.04 0.93 1.04 2ooeA1 LEU 533 HD23 0.05 0.01 -0.06 -0.04 0.89 0.85 2ooeA1 TYR 534 H 0.19 0.23 0.20 -0.55 8.29 8.36 2ooeA1 TYR 534 HA -0.00 0.23 0.86 -0.75 4.56 4.90 2ooeA1 TYR 534 HB2 -0.07 0.05 0.03 -0.04 3.06 3.03 2ooeA1 TYR 534 HB3 -0.14 0.02 0.03 -0.04 2.98 2.84 2ooeA1 TYR 534 HD2 -0.12 0.01 -0.16 -0.04 7.15 6.83 2ooeA1 TYR 534 HE2 0.11 -0.01 -0.16 -0.04 6.85 6.75 2ooeA1 PRO 535 HA 0.01 0.13 0.55 -0.51 4.44 4.62 2ooeA1 PRO 535 HB2 -0.04 -0.00 0.15 -0.04 2.28 2.35 2ooeA1 PRO 535 HB3 -0.03 0.06 0.02 -0.04 2.02 2.03 2ooeA1 PRO 535 HG2 0.06 -0.01 -0.10 -0.04 2.03 1.94 2ooeA1 PRO 535 HG3 0.20 0.06 0.02 -0.04 2.03 2.28 2ooeA1 PRO 535 HD2 0.09 0.10 0.14 -0.04 3.68 3.98 2ooeA1 PRO 535 HD3 0.10 0.17 0.01 -0.04 3.65 3.89 2ooeA1 CYS 536 H 0.06 0.24 -0.87 -0.55 8.50 7.38 2ooeA1 CYS 536 HA -0.01 0.09 0.51 -0.75 4.58 4.42 2ooeA1 CYS 536 HB2 -0.06 -0.02 -0.25 -0.04 2.97 2.59 2ooeA1 CYS 536 HB3 -0.06 0.01 -0.15 -0.04 2.97 2.73 2ooeA1 SER 537 H -0.02 0.11 0.11 -0.55 8.46 8.11 2ooeA1 SER 537 HA -0.01 0.20 0.53 -0.75 4.49 4.45 2ooeA1 SER 537 HB2 -0.01 0.02 0.14 -0.04 3.95 4.06 2ooeA1 SER 537 HB3 -0.01 0.13 0.12 -0.04 3.93 4.12 2ooeA1 ALA 538 H -0.03 0.21 0.18 -0.55 8.40 8.21 2ooeA1 ALA 538 HA -0.09 0.15 0.39 -0.75 4.34 4.04 2ooeA1 ALA 538 HB3 -0.03 0.03 0.12 -0.04 1.41 1.49 2ooeA1 SER 539 H -0.02 0.10 -0.09 -0.55 8.46 7.90 2ooeA1 SER 539 HA -0.01 0.11 0.40 -0.75 4.49 4.24 2ooeA1 SER 539 HB2 -0.00 0.07 -0.04 -0.04 3.95 3.94 2ooeA1 SER 539 HB3 -0.00 0.06 0.08 -0.04 3.93 4.02 2ooeA1 GLU 540 H -0.02 0.02 -0.41 -0.55 8.60 7.65 2ooeA1 GLU 540 HA -0.01 0.11 0.46 -0.75 4.29 4.10 2ooeA1 GLU 540 HB2 -0.02 -0.07 0.11 -0.04 2.09 2.06 2ooeA1 GLU 540 HB3 -0.02 0.08 -0.04 -0.04 1.99 1.97 2ooeA1 GLU 540 HG2 -0.01 0.07 0.01 -0.04 2.34 2.37 2ooeA1 GLU 540 HG3 -0.01 -0.08 0.01 -0.04 2.34 2.21 2ooeA1 LEU 541 H -0.04 0.51 -0.25 -0.55 8.37 8.04 2ooeA1 LEU 541 HA -0.02 0.04 0.37 -0.75 4.35 3.99 2ooeA1 LEU 541 HB2 -0.06 0.15 0.12 -0.04 1.64 1.81 2ooeA1 LEU 541 HB3 0.02 -0.04 -0.06 -0.04 1.64 1.51 2ooeA1 LEU 541 HG -0.15 0.01 -0.23 -0.04 1.64 1.24 2ooeA1 LEU 541 HD13 -0.40 -0.02 -0.19 -0.04 0.93 0.28 2ooeA1 LEU 541 HD23 -0.51 -0.01 -0.11 -0.04 0.89 0.23 2ooeA1 LYS 542 H 0.00 0.46 -0.13 -0.55 8.42 8.20 2ooeA1 LYS 542 HA 0.04 0.08 0.42 -0.75 4.32 4.10 2ooeA1 LYS 542 HB2 0.01 0.00 0.10 -0.04 1.87 1.94 2ooeA1 LYS 542 HB3 0.01 0.10 0.19 -0.04 1.79 2.04 2ooeA1 LYS 542 HG2 0.01 0.03 -0.24 -0.04 1.46 1.22 2ooeA1 LYS 542 HG3 0.01 0.01 -0.03 -0.04 1.46 1.41 2ooeA1 LYS 542 HD2 0.01 -0.02 -0.01 -0.04 1.69 1.62 2ooeA1 LYS 542 HD3 0.01 -0.02 0.01 -0.04 1.68 1.63 2ooeA1 LYS 542 HE2 0.01 0.01 -0.04 -0.04 2.99 2.93 2ooeA1 LYS 542 HE3 0.01 0.02 -0.03 -0.04 2.99 2.95 2ooeA1 ALA 543 H 0.01 0.38 -0.11 -0.55 8.40 8.14 2ooeA1 ALA 543 HA 0.02 0.05 0.34 -0.75 4.34 3.99 2ooeA1 ALA 543 HB3 0.01 0.00 0.09 -0.04 1.41 1.47 2ooeA1 LEU 544 H 0.03 0.19 -0.89 -0.55 8.37 7.17 2ooeA1 LEU 544 HA 0.03 0.06 0.62 -0.75 4.35 4.31 2ooeA1 LEU 544 HB2 0.05 0.12 0.17 -0.04 1.64 1.94 2ooeA1 LEU 544 HB3 0.07 -0.11 -0.07 -0.04 1.64 1.48 2ooeA1 LEU 544 HG 0.01 0.11 -0.05 -0.04 1.64 1.67 2ooeA1 LEU 544 HD13 -0.00 -0.03 -0.17 -0.04 0.93 0.68 2ooeA1 LEU 544 HD23 0.02 -0.03 -0.02 -0.04 0.89 0.81 2ooeA1 GLY 545 H 0.05 0.46 0.00 -0.55 8.43 8.40 2ooeA1 GLY 545 HA2 0.03 0.04 0.32 -0.51 4.01 3.89 2ooeA1 GLY 545 HA3 0.04 0.09 0.71 -0.51 4.01 4.33 2ooeA1 TYR 546 H 0.15 0.38 0.15 -0.55 8.29 8.41 2ooeA1 TYR 546 HA -0.01 0.08 0.39 -0.75 4.56 4.27 2ooeA1 TYR 546 HB2 -0.01 -0.01 0.09 -0.04 3.06 3.08 2ooeA1 TYR 546 HB3 -0.04 -0.06 -0.06 -0.04 2.98 2.78 2ooeA1 TYR 546 HD2 -0.05 0.08 -0.07 -0.04 7.15 7.07 2ooeA1 TYR 546 HE2 0.00 0.02 -0.11 -0.04 6.85 6.72 2ooeA1 LYS 547 H -0.91 0.23 0.04 -0.55 8.42 7.22 2ooeA1 LYS 547 HA -0.26 0.09 0.68 -0.75 4.32 4.08 2ooeA1 LYS 547 HB2 -0.13 -0.03 -0.05 -0.04 1.87 1.62 2ooeA1 LYS 547 HB3 -0.12 0.11 -0.14 -0.04 1.79 1.60 2ooeA1 LYS 547 HG2 -0.18 -0.06 0.11 -0.04 1.46 1.29 2ooeA1 LYS 547 HG3 -0.07 0.01 -0.01 -0.04 1.46 1.35 2ooeA1 LYS 547 HD2 -0.10 0.34 0.03 -0.04 1.69 1.91 2ooeA1 LYS 547 HD3 -0.34 -0.17 0.18 -0.04 1.68 1.31 2ooeA1 LYS 547 HE2 -0.07 0.01 -0.16 -0.04 2.99 2.73 2ooeA1 LYS 547 HE3 -0.12 -0.05 -0.02 -0.04 2.99 2.76 2ooeA1 ASP 548 H -0.25 0.15 0.02 -0.55 8.40 7.77 2ooeA1 ASP 548 HA -0.21 0.16 0.79 -0.75 4.63 4.62 2ooeA1 ASP 548 HB2 0.22 -0.03 -0.02 -0.04 2.71 2.85 2ooeA1 ASP 548 HB3 0.07 -0.02 0.05 -0.04 2.70 2.76 2ooeA1 VAL 549 H -0.00 0.21 0.08 -0.55 8.24 7.97 2ooeA1 VAL 549 HA 0.00 0.15 0.32 -0.75 4.13 3.85 2ooeA1 VAL 549 HB 0.03 -0.01 0.03 -0.04 2.12 2.13 2ooeA1 VAL 549 HG13 -0.00 0.03 -0.05 -0.04 0.97 0.90 2ooeA1 VAL 549 HG23 0.05 0.01 0.05 -0.04 0.95 1.01