============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 76 rings ring int. center anis. iso. TYR 34 0.840 55.974 57.627 71.096 -99.200 -91.000 TYR 40 0.840 52.875 53.247 60.553 -99.200 -91.000 HIS 41 0.900 53.117 46.262 68.259 -99.200 -91.000 HIS 48 0.900 41.106 49.191 58.021 -99.200 -91.000 TYR 49 0.840 41.566 40.470 58.751 -99.200 -91.000 TYR 55 0.840 45.004 42.929 59.354 -99.200 -91.000 HIS 60 0.900 53.591 40.839 66.785 -99.200 -91.000 PHE 65 1.000 59.389 39.464 65.788 -99.200 -91.000 TRP 68 1.040 54.943 44.902 60.190 -99.200 -91.000 TRP6 68 1.020 54.752 46.160 62.205 -99.200 -91.000 HIS 69 0.900 57.655 43.452 65.100 -99.200 -91.000 HIS 86 0.900 73.870 63.670 68.652 -99.200 -91.000 TYR 91 0.840 73.310 47.760 70.907 -99.200 -91.000 TRP 92 1.040 68.040 46.734 78.304 -99.200 -91.000 TRP6 92 1.020 65.921 45.869 78.880 -99.200 -91.000 TRP 94 1.040 66.458 42.443 75.154 -99.200 -91.000 TRP6 94 1.020 66.456 40.209 74.384 -99.200 -91.000 PHE 98 1.000 67.795 42.939 82.389 -99.200 -91.000 PHE 113 1.000 64.085 57.640 74.727 -99.200 -91.000 HIS 114 0.900 58.767 57.504 84.109 -99.200 -91.000 HIS 115 0.900 55.356 59.495 81.285 -99.200 -91.000 HIS 117 0.900 47.877 61.021 76.896 -99.200 -91.000 PHE 134 1.000 64.605 43.631 86.900 -99.200 -91.000 PHE 136 1.000 64.419 32.241 80.202 -99.200 -91.000 PHE 137 1.000 65.330 37.554 79.278 -99.200 -91.000 TYR 138 0.840 74.948 33.445 76.196 -99.200 -91.000 PHE 150 1.000 64.432 35.042 58.346 -99.200 -91.000 PHE 153 1.000 67.539 34.710 63.946 -99.200 -91.000 PHE 157 1.000 65.111 37.832 66.292 -99.200 -91.000 HIS 161 0.900 59.843 39.831 70.317 -99.200 -91.000 HIS 165 0.900 57.209 43.056 73.272 -99.200 -91.000 TRP 167 1.040 58.731 37.168 82.137 -99.200 -91.000 TRP6 167 1.020 60.659 35.819 81.901 -99.200 -91.000 TYR 174 0.840 45.578 51.419 79.523 -99.200 -91.000 HIS 180 0.900 44.584 45.141 71.587 -99.200 -91.000 TYR 181 0.840 46.406 49.827 75.016 -99.200 -91.000 TYR 184 0.840 50.292 53.883 71.751 -99.200 -91.000 PHE 188 1.000 57.694 48.303 70.097 -99.200 -91.000 TYR 189 0.840 59.278 52.808 69.425 -99.200 -91.000 HIS 191 0.900 62.295 43.713 73.368 -99.200 -91.000 HIS 192 0.900 60.658 44.929 68.542 -99.200 -91.000 TRP 199 1.040 67.453 39.279 60.893 -99.200 -91.000 TRP6 199 1.020 65.914 40.662 59.759 -99.200 -91.000 TRP 202 1.040 71.076 33.585 62.371 -99.200 -91.000 TRP6 202 1.020 70.065 33.570 60.246 -99.200 -91.000 TYR 208 0.840 83.383 33.045 60.775 -99.200 -91.000 TYR 213 0.840 75.165 37.869 53.916 -99.200 -91.000 PHE 230 1.000 56.358 49.774 58.511 -99.200 -91.000 HIS 243 0.900 64.949 49.626 51.139 -99.200 -91.000 PHE 250 1.000 65.550 38.446 54.397 -99.200 -91.000 TYR 252 0.840 72.557 45.643 59.297 -99.200 -91.000 HIS 253 0.900 75.623 47.274 56.483 -99.200 -91.000 TYR 257 0.840 69.210 50.162 60.882 -99.200 -91.000 TYR 259 0.840 72.364 47.380 65.095 -99.200 -91.000 PHE 264 1.000 74.782 37.076 71.886 -99.200 -91.000 HIS 265 0.900 76.374 37.606 76.727 -99.200 -91.000 HIS 275 0.900 79.800 30.041 73.691 -99.200 -91.000 HIS 281 0.900 82.327 20.142 69.209 -99.200 -91.000 PHE 286 1.000 67.364 20.871 71.663 -99.200 -91.000 PHE 289 1.000 56.657 23.264 74.632 -99.200 -91.000 PHE 302 1.000 58.808 23.204 79.396 -99.200 -91.000 PHE 313 1.000 60.759 26.458 85.318 -99.200 -91.000 PHE 317 1.000 56.610 27.909 75.339 -99.200 -91.000 HIS 324 0.900 39.931 43.680 67.970 -99.200 -91.000 PHE 327 1.000 45.710 31.049 61.609 -99.200 -91.000 TRP 328 1.040 50.108 34.369 65.934 -99.200 -91.000 TRP6 328 1.020 51.374 32.764 67.110 -99.200 -91.000 PHE 330 1.000 56.282 30.901 65.318 -99.200 -91.000 PHE 334 1.000 60.288 28.024 71.896 -99.200 -91.000 TYR 336 0.840 62.856 26.172 77.456 -99.200 -91.000 HIS 344 0.900 68.184 18.465 89.712 -99.200 -91.000 HIS 350 0.900 67.287 4.832 76.846 -99.200 -91.000 PHE 353 1.000 61.324 12.384 79.427 -99.200 -91.000 HIS 365 0.900 42.178 35.043 86.529 -99.200 -91.000 TYR 371 0.840 43.401 29.161 74.352 -99.200 -91.000 PHE 378 1.000 63.549 18.006 69.047 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1js8A1 ALA 2503 HA 0.02 0.06 0.09 -0.75 4.34 3.77 1js8A1 ALA 2503 HB3 0.03 -0.03 -0.19 -0.04 1.41 1.17 1js8A1 ILE 2504 H 0.05 0.59 0.24 -0.55 8.25 8.58 1js8A1 ILE 2504 HA 0.03 0.10 0.72 -0.75 4.18 4.28 1js8A1 ILE 2504 HB 0.02 0.05 -0.01 -0.04 1.89 1.92 1js8A1 ILE 2504 HG12 0.01 -0.10 -0.36 -0.04 1.49 1.01 1js8A1 ILE 2504 HG13 -0.01 -0.07 -0.25 -0.04 1.21 0.84 1js8A1 ILE 2504 HG23 0.06 0.00 0.11 -0.04 0.93 1.06 1js8A1 ILE 2504 HD13 -0.01 -0.01 -0.18 -0.04 0.88 0.64 1js8A1 ILE 2505 H 0.01 0.18 0.16 -0.55 8.25 8.06 1js8A1 ILE 2505 HA 0.02 0.23 0.68 -0.75 4.18 4.36 1js8A1 ILE 2505 HB 0.01 -0.05 0.04 -0.04 1.89 1.85 1js8A1 ILE 2505 HG12 0.03 0.11 -0.03 -0.04 1.49 1.56 1js8A1 ILE 2505 HG13 0.04 -0.03 -0.10 -0.04 1.21 1.08 1js8A1 ILE 2505 HG23 0.06 -0.03 -0.46 -0.04 0.93 0.46 1js8A1 ILE 2505 HD13 0.05 0.01 -0.37 -0.04 0.88 0.53 1js8A1 ARG 2506 H -0.03 0.71 0.40 -0.55 8.46 8.98 1js8A1 ARG 2506 HA 0.02 0.14 0.59 -0.75 4.34 4.35 1js8A1 ARG 2506 HB2 -0.22 -0.08 0.16 -0.04 1.90 1.73 1js8A1 ARG 2506 HB3 0.18 0.09 0.04 -0.04 1.80 2.07 1js8A1 ARG 2506 HG2 -0.10 -0.05 -0.14 -0.04 1.67 1.33 1js8A1 ARG 2506 HG3 -0.18 0.05 -0.08 -0.04 1.67 1.43 1js8A1 ARG 2506 HD2 -0.61 -0.05 -0.10 -0.04 3.22 2.42 1js8A1 ARG 2506 HD3 -0.07 0.04 -0.04 -0.04 3.22 3.11 1js8A1 LYS 2507 H 0.01 0.29 0.07 -0.55 8.42 8.23 1js8A1 LYS 2507 HA 0.15 0.10 1.01 -0.75 4.32 4.83 1js8A1 LYS 2507 HB2 -0.05 0.01 0.02 -0.04 1.87 1.81 1js8A1 LYS 2507 HB3 0.04 0.05 -0.05 -0.04 1.79 1.79 1js8A1 LYS 2507 HG2 -0.02 0.08 -0.20 -0.04 1.46 1.29 1js8A1 LYS 2507 HG3 -0.06 -0.01 -0.13 -0.04 1.46 1.22 1js8A1 LYS 2507 HD2 -0.04 -0.02 -0.19 -0.04 1.69 1.40 1js8A1 LYS 2507 HD3 -0.01 0.01 -0.09 -0.04 1.68 1.55 1js8A1 LYS 2507 HE2 -0.00 0.03 -0.07 -0.04 2.99 2.90 1js8A1 LYS 2507 HE3 -0.04 -0.00 -0.04 -0.04 2.99 2.87 1js8A1 ASN 2508 H -0.23 0.14 0.15 -0.55 8.53 8.04 1js8A1 ASN 2508 HA -1.11 0.16 0.51 -0.75 4.76 3.57 1js8A1 ASN 2508 HB2 -0.17 0.05 0.17 -0.04 2.88 2.89 1js8A1 ASN 2508 HB3 -0.13 -0.01 0.10 -0.04 2.79 2.71 1js8A1 ASN 2508 HD21 0.03 0.03 0.05 -0.04 7.03 7.10 1js8A1 ASN 2508 HD22 0.05 0.04 0.04 -0.04 7.74 7.83 1js8A1 VAL 2509 H -0.23 0.55 0.30 -0.55 8.24 8.32 1js8A1 VAL 2509 HA -0.11 0.11 0.35 -0.75 4.13 3.72 1js8A1 VAL 2509 HB -0.07 -0.05 -0.06 -0.04 2.12 1.90 1js8A1 VAL 2509 HG13 -0.06 0.02 -0.12 -0.04 0.97 0.77 1js8A1 VAL 2509 HG23 0.05 0.09 0.13 -0.04 0.95 1.19 1js8A1 ASN 2510 H -0.06 0.06 -0.29 -0.55 8.53 7.69 1js8A1 ASN 2510 HA -0.04 0.19 0.66 -0.75 4.76 4.82 1js8A1 ASN 2510 HB2 0.00 0.06 0.18 -0.04 2.88 3.08 1js8A1 ASN 2510 HB3 0.01 -0.04 0.06 -0.04 2.79 2.78 1js8A1 ASN 2510 HD21 0.04 0.02 0.01 -0.04 7.03 7.05 1js8A1 ASN 2510 HD22 0.06 0.02 0.03 -0.04 7.74 7.81 1js8A1 SER 2511 H -0.07 0.62 -0.49 -0.55 8.46 7.97 1js8A1 SER 2511 HA -0.02 0.21 0.82 -0.75 4.49 4.74 1js8A1 SER 2511 HB2 -0.01 0.01 0.13 -0.04 3.95 4.03 1js8A1 SER 2511 HB3 -0.03 -0.09 -0.05 -0.04 3.93 3.71 1js8A1 LEU 2512 H -0.05 0.27 -0.16 -0.55 8.37 7.89 1js8A1 LEU 2512 HA -0.03 0.03 0.53 -0.75 4.35 4.12 1js8A1 LEU 2512 HB2 -0.06 0.08 0.13 -0.04 1.64 1.75 1js8A1 LEU 2512 HB3 -0.05 -0.06 -0.01 -0.04 1.64 1.48 1js8A1 LEU 2512 HG -0.09 0.03 0.05 -0.04 1.64 1.59 1js8A1 LEU 2512 HD13 -0.12 -0.01 0.00 -0.04 0.93 0.77 1js8A1 LEU 2512 HD23 -0.07 -0.01 -0.08 -0.04 0.89 0.69 1js8A1 THR 2513 H -0.00 0.08 0.22 -0.55 8.28 8.04 1js8A1 THR 2513 HA -0.00 0.26 0.65 -0.75 4.39 4.55 1js8A1 THR 2513 HB 0.02 0.04 0.16 -0.04 4.32 4.50 1js8A1 THR 2513 HG23 0.02 0.05 0.07 -0.04 1.22 1.32 1js8A1 PRO 2514 HA -0.00 0.08 0.40 -0.51 4.44 4.41 1js8A1 PRO 2514 HB2 0.00 0.01 0.07 -0.04 2.28 2.33 1js8A1 PRO 2514 HB3 -0.00 0.07 0.10 -0.04 2.02 2.15 1js8A1 PRO 2514 HG2 -0.00 0.07 0.10 -0.04 2.03 2.15 1js8A1 PRO 2514 HG3 -0.00 0.08 0.09 -0.04 2.03 2.15 1js8A1 PRO 2514 HD2 0.00 0.09 0.23 -0.04 3.68 3.97 1js8A1 PRO 2514 HD3 -0.00 0.24 0.25 -0.04 3.65 4.10 1js8A1 SER 2515 H 0.02 0.09 -0.32 -0.55 8.46 7.71 1js8A1 SER 2515 HA 0.03 0.13 0.54 -0.75 4.49 4.43 1js8A1 SER 2515 HB2 -0.00 0.07 0.05 -0.04 3.95 4.03 1js8A1 SER 2515 HB3 0.01 0.03 0.07 -0.04 3.93 4.00 1js8A1 ASP 2516 H 0.07 0.07 -0.13 -0.55 8.40 7.86 1js8A1 ASP 2516 HA 0.13 0.05 0.38 -0.75 4.63 4.44 1js8A1 ASP 2516 HB2 -0.00 0.21 0.25 -0.04 2.71 3.13 1js8A1 ASP 2516 HB3 -0.05 0.05 0.03 -0.04 2.70 2.69 1js8A1 ILE 2517 H -0.00 0.49 -0.18 -0.55 8.25 8.01 1js8A1 ILE 2517 HA -0.07 0.02 0.27 -0.75 4.18 3.65 1js8A1 ILE 2517 HB -0.02 0.09 0.07 -0.04 1.89 1.99 1js8A1 ILE 2517 HG12 -0.08 -0.03 -0.03 -0.04 1.49 1.31 1js8A1 ILE 2517 HG13 -0.04 0.09 -0.17 -0.04 1.21 1.05 1js8A1 ILE 2517 HG23 -0.05 -0.00 -0.13 -0.04 0.93 0.72 1js8A1 ILE 2517 HD13 -0.04 0.00 -0.09 -0.04 0.88 0.70 1js8A1 LYS 2518 H 0.02 0.43 -0.20 -0.55 8.42 8.12 1js8A1 LYS 2518 HA 0.03 0.03 0.48 -0.75 4.32 4.10 1js8A1 LYS 2518 HB2 0.02 0.15 0.23 -0.04 1.87 2.23 1js8A1 LYS 2518 HB3 0.03 0.03 0.17 -0.04 1.79 1.98 1js8A1 LYS 2518 HG2 0.02 -0.02 0.11 -0.04 1.46 1.52 1js8A1 LYS 2518 HG3 0.01 -0.01 0.05 -0.04 1.46 1.47 1js8A1 LYS 2518 HD2 0.01 -0.01 -0.00 -0.04 1.69 1.65 1js8A1 LYS 2518 HD3 0.02 0.00 -0.13 -0.04 1.68 1.53 1js8A1 LYS 2518 HE2 0.01 -0.01 0.01 -0.04 2.99 2.96 1js8A1 LYS 2518 HE3 0.01 0.01 -0.01 -0.04 2.99 2.95 1js8A1 GLU 2519 H 0.10 0.71 0.00 -0.55 8.60 8.87 1js8A1 GLU 2519 HA 0.08 0.02 0.37 -0.75 4.29 4.01 1js8A1 GLU 2519 HB2 0.27 0.06 0.18 -0.04 2.09 2.56 1js8A1 GLU 2519 HB3 0.23 0.02 0.07 -0.04 1.99 2.27 1js8A1 GLU 2519 HG2 0.11 0.15 0.13 -0.04 2.34 2.69 1js8A1 GLU 2519 HG3 0.08 -0.07 0.04 -0.04 2.34 2.34 1js8A1 LEU 2520 H 0.05 0.53 -0.21 -0.55 8.37 8.19 1js8A1 LEU 2520 HA 0.10 0.05 0.46 -0.75 4.35 4.20 1js8A1 LEU 2520 HB2 -0.03 0.09 0.14 -0.04 1.64 1.80 1js8A1 LEU 2520 HB3 0.05 -0.04 -0.10 -0.04 1.64 1.51 1js8A1 LEU 2520 HG -0.04 -0.02 -0.00 -0.04 1.64 1.53 1js8A1 LEU 2520 HD13 -0.13 -0.02 -0.08 -0.04 0.93 0.67 1js8A1 LEU 2520 HD23 0.11 0.03 -0.06 -0.04 0.89 0.93 1js8A1 ARG 2521 H 0.08 0.66 0.03 -0.55 8.46 8.68 1js8A1 ARG 2521 HA 0.31 -0.04 0.50 -0.75 4.34 4.35 1js8A1 ARG 2521 HB2 0.06 0.15 0.29 -0.04 1.90 2.36 1js8A1 ARG 2521 HB3 0.08 -0.04 0.14 -0.04 1.80 1.94 1js8A1 ARG 2521 HG2 0.23 -0.17 0.13 -0.04 1.67 1.82 1js8A1 ARG 2521 HG3 0.03 0.09 0.12 -0.04 1.67 1.86 1js8A1 ARG 2521 HD2 0.02 -0.02 0.00 -0.04 3.22 3.18 1js8A1 ARG 2521 HD3 0.05 0.13 0.16 -0.04 3.22 3.53 1js8A1 ASP 2522 H 0.07 0.59 -0.16 -0.55 8.40 8.35 1js8A1 ASP 2522 HA 0.03 -0.01 0.37 -0.75 4.63 4.26 1js8A1 ASP 2522 HB2 0.05 0.09 0.19 -0.04 2.71 2.99 1js8A1 ASP 2522 HB3 0.03 0.00 -0.01 -0.04 2.70 2.68 1js8A1 ALA 2523 H 0.06 0.78 0.08 -0.55 8.40 8.77 1js8A1 ALA 2523 HA 0.02 0.15 0.50 -0.75 4.34 4.25 1js8A1 ALA 2523 HB3 0.05 0.01 0.10 -0.04 1.41 1.53 1js8A1 MET 2524 H 0.07 0.56 -0.39 -0.55 8.47 8.16 1js8A1 MET 2524 HA -0.06 -0.00 0.36 -0.75 4.52 4.06 1js8A1 MET 2524 HB2 -0.04 0.03 0.08 -0.04 2.15 2.18 1js8A1 MET 2524 HB3 -0.02 0.05 0.13 -0.04 2.03 2.16 1js8A1 MET 2524 HG2 -1.05 -0.04 -0.13 -0.04 2.63 1.36 1js8A1 MET 2524 HG3 -0.37 0.02 -0.15 -0.04 2.56 2.03 1js8A1 MET 2524 HE3 -0.28 -0.00 -0.02 -0.04 2.10 1.75 1js8A1 ALA 2525 H -0.01 0.52 -0.04 -0.55 8.40 8.33 1js8A1 ALA 2525 HA -0.10 0.01 0.54 -0.75 4.34 4.04 1js8A1 ALA 2525 HB3 -0.03 0.01 0.18 -0.04 1.41 1.54 1js8A1 LYS 2526 H -0.02 0.54 -0.15 -0.55 8.42 8.24 1js8A1 LYS 2526 HA -0.02 -0.01 0.40 -0.75 4.32 3.94 1js8A1 LYS 2526 HB2 -0.00 0.22 0.20 -0.04 1.87 2.24 1js8A1 LYS 2526 HB3 -0.00 -0.07 0.06 -0.04 1.79 1.74 1js8A1 LYS 2526 HG2 -0.00 -0.09 0.04 -0.04 1.46 1.36 1js8A1 LYS 2526 HG3 -0.00 0.07 0.06 -0.04 1.46 1.54 1js8A1 LYS 2526 HD2 0.01 0.23 0.08 -0.04 1.69 1.97 1js8A1 LYS 2526 HD3 0.00 -0.06 0.05 -0.04 1.68 1.64 1js8A1 LYS 2526 HE2 0.01 0.02 -0.00 -0.04 2.99 2.98 1js8A1 LYS 2526 HE3 0.00 -0.08 0.00 -0.04 2.99 2.87 1js8A1 VAL 2527 H -0.03 0.49 -0.03 -0.55 8.24 8.13 1js8A1 VAL 2527 HA 0.00 0.07 0.68 -0.75 4.13 4.12 1js8A1 VAL 2527 HB -0.01 0.07 0.16 -0.04 2.12 2.31 1js8A1 VAL 2527 HG13 0.05 -0.02 -0.03 -0.04 0.97 0.93 1js8A1 VAL 2527 HG23 -0.01 0.08 -0.06 -0.04 0.95 0.92 1js8A1 GLN 2528 H -0.09 0.54 -0.15 -0.55 8.47 8.22 1js8A1 GLN 2528 HA -0.07 -0.08 0.57 -0.75 4.36 4.03 1js8A1 GLN 2528 HB2 -0.18 0.15 0.23 -0.04 2.15 2.31 1js8A1 GLN 2528 HB3 -0.22 -0.10 0.13 -0.04 2.02 1.78 1js8A1 GLN 2528 HG2 -1.06 -0.11 0.14 -0.04 2.40 1.32 1js8A1 GLN 2528 HG3 -0.41 0.23 0.17 -0.04 2.39 2.34 1js8A1 GLN 2528 HE21 -0.41 0.45 0.28 -0.04 6.97 7.25 1js8A1 GLN 2528 HE22 -0.76 -0.12 0.10 -0.04 7.69 6.87 1js8A1 ALA 2529 H -0.04 0.27 -0.25 -0.55 8.40 7.83 1js8A1 ALA 2529 HA -0.02 0.08 0.73 -0.75 4.34 4.38 1js8A1 ALA 2529 HB3 -0.02 -0.00 0.11 -0.04 1.41 1.44 1js8A1 ASP 2530 H -0.00 0.29 -0.24 -0.55 8.40 7.90 1js8A1 ASP 2530 HA 0.01 -0.04 0.60 -0.75 4.63 4.44 1js8A1 ASP 2530 HB2 0.00 0.18 0.22 -0.04 2.71 3.07 1js8A1 ASP 2530 HB3 0.01 0.14 0.33 -0.04 2.70 3.14 1js8A1 THR 2531 H 0.01 0.13 0.22 -0.55 8.28 8.10 1js8A1 THR 2531 HA 0.03 0.20 0.78 -0.75 4.39 4.64 1js8A1 THR 2531 HB 0.02 -0.03 0.12 -0.04 4.32 4.39 1js8A1 THR 2531 HG23 0.03 0.02 0.03 -0.04 1.22 1.25 1js8A1 SER 2532 H 0.01 0.02 -0.20 -0.55 8.46 7.75 1js8A1 SER 2532 HA 0.01 0.18 0.55 -0.75 4.49 4.48 1js8A1 SER 2532 HB2 0.01 -0.01 0.16 -0.04 3.95 4.07 1js8A1 SER 2532 HB3 0.01 0.05 0.09 -0.04 3.93 4.03 1js8A1 ASP 2533 H 0.01 0.17 0.14 -0.55 8.40 8.17 1js8A1 ASP 2533 HA 0.02 0.14 0.42 -0.75 4.63 4.45 1js8A1 ASP 2533 HB2 0.02 -0.05 0.12 -0.04 2.71 2.76 1js8A1 ASP 2533 HB3 0.03 0.10 0.13 -0.04 2.70 2.92 1js8A1 ASN 2534 H -0.00 -0.07 -0.65 -0.55 8.53 7.27 1js8A1 ASN 2534 HA -0.05 0.24 0.81 -0.75 4.76 5.00 1js8A1 ASN 2534 HB2 -0.00 -0.09 -0.06 -0.04 2.88 2.69 1js8A1 ASN 2534 HB3 -0.01 0.02 0.00 -0.04 2.79 2.76 1js8A1 ASN 2534 HD21 0.00 -0.01 -0.12 -0.04 7.03 6.86 1js8A1 ASN 2534 HD22 0.00 -0.02 -0.08 -0.04 7.74 7.59 1js8A1 GLY 2535 H -0.01 0.36 -0.30 -0.55 8.43 7.94 1js8A1 GLY 2535 HA2 0.01 0.19 0.83 -0.51 4.01 4.53 1js8A1 GLY 2535 HA3 0.02 0.31 0.32 -0.51 4.01 4.15 1js8A1 TYR 2536 H 0.14 0.63 0.23 -0.55 8.29 8.74 1js8A1 TYR 2536 HA -0.10 0.04 0.31 -0.75 4.56 4.05 1js8A1 TYR 2536 HB2 -0.06 0.07 -0.10 -0.04 3.06 2.93 1js8A1 TYR 2536 HB3 0.00 -0.00 0.20 -0.04 2.98 3.14 1js8A1 TYR 2536 HD2 -0.02 -0.02 -0.08 -0.04 7.15 6.99 1js8A1 TYR 2536 HE2 0.01 -0.01 0.03 -0.04 6.85 6.83 1js8A1 GLN 2537 H 0.20 0.24 0.01 -0.55 8.47 8.37 1js8A1 GLN 2537 HA 0.28 0.05 0.36 -0.75 4.36 4.30 1js8A1 GLN 2537 HB2 0.12 0.07 0.02 -0.04 2.15 2.32 1js8A1 GLN 2537 HB3 0.18 -0.05 0.06 -0.04 2.02 2.18 1js8A1 GLN 2537 HG2 0.20 0.06 0.14 -0.04 2.40 2.75 1js8A1 GLN 2537 HG3 0.13 0.02 0.06 -0.04 2.39 2.56 1js8A1 GLN 2537 HE21 0.21 0.71 0.20 -0.04 6.97 8.05 1js8A1 GLN 2537 HE22 0.24 0.02 0.11 -0.04 7.69 8.02 1js8A1 LYS 2538 H 0.02 0.17 -0.47 -0.55 8.42 7.59 1js8A1 LYS 2538 HA 0.04 0.07 0.44 -0.75 4.32 4.12 1js8A1 LYS 2538 HB2 0.02 0.00 -0.02 -0.04 1.87 1.83 1js8A1 LYS 2538 HB3 -0.04 0.12 -0.07 -0.04 1.79 1.75 1js8A1 LYS 2538 HG2 0.03 -0.14 0.11 -0.04 1.46 1.41 1js8A1 LYS 2538 HG3 0.01 0.07 -0.18 -0.04 1.46 1.31 1js8A1 LYS 2538 HD2 0.09 -0.00 0.06 -0.04 1.69 1.79 1js8A1 LYS 2538 HD3 0.05 -0.04 -0.02 -0.04 1.68 1.63 1js8A1 LYS 2538 HE2 0.11 0.04 0.03 -0.04 2.99 3.13 1js8A1 LYS 2538 HE3 0.21 0.01 -0.01 -0.04 2.99 3.16 1js8A1 ILE 2539 H -0.18 0.45 -0.11 -0.55 8.25 7.85 1js8A1 ILE 2539 HA -0.82 0.06 0.48 -0.75 4.18 3.15 1js8A1 ILE 2539 HB -0.33 0.05 0.07 -0.04 1.89 1.64 1js8A1 ILE 2539 HG12 -0.37 -0.03 -0.06 -0.04 1.49 0.99 1js8A1 ILE 2539 HG13 -0.21 0.19 -0.12 -0.04 1.21 1.03 1js8A1 ILE 2539 HG23 -0.30 -0.03 -0.14 -0.04 0.93 0.42 1js8A1 ILE 2539 HD13 -0.16 -0.02 -0.22 -0.04 0.88 0.43 1js8A1 ALA 2540 H -0.33 0.77 -0.00 -0.55 8.40 8.30 1js8A1 ALA 2540 HA -0.31 -0.01 0.21 -0.75 4.34 3.47 1js8A1 ALA 2540 HB3 -0.76 -0.01 -0.08 -0.04 1.41 0.52 1js8A1 SER 2541 H -0.08 0.27 -0.73 -0.55 8.46 7.38 1js8A1 SER 2541 HA 0.02 0.04 0.06 -0.75 4.49 3.86 1js8A1 SER 2541 HB2 0.11 0.25 0.02 -0.04 3.95 4.28 1js8A1 SER 2541 HB3 0.08 0.02 -0.12 -0.04 3.93 3.86 1js8A1 TYR 2542 H 0.22 0.60 -0.35 -0.55 8.29 8.20 1js8A1 TYR 2542 HA -0.03 0.01 0.46 -0.75 4.56 4.24 1js8A1 TYR 2542 HB2 0.00 0.18 0.09 -0.04 3.06 3.29 1js8A1 TYR 2542 HB3 -0.05 -0.11 -0.03 -0.04 2.98 2.76 1js8A1 TYR 2542 HD2 -0.46 -0.03 -0.02 -0.04 7.15 6.60 1js8A1 TYR 2542 HE2 -0.22 -0.03 -0.05 -0.04 6.85 6.50 1js8A1 HIS 2543 H 0.24 0.38 -0.42 -0.55 8.41 8.07 1js8A1 HIS 2543 HA 0.25 0.00 0.48 -0.75 4.63 4.61 1js8A1 HIS 2543 HB2 0.14 -0.00 0.01 -0.04 3.26 3.37 1js8A1 HIS 2543 HB3 -0.06 0.07 0.12 -0.04 3.20 3.28 1js8A1 HIS 2543 HD2 0.55 -0.00 -0.09 -0.04 6.97 7.39 1js8A1 HIS 2543 HE1 0.13 -0.05 -0.03 -0.04 7.75 7.75 1js8A1 GLY 2544 H 0.14 0.22 -0.08 -0.55 8.43 8.16 1js8A1 GLY 2544 HA2 -0.01 0.05 0.81 -0.51 4.01 4.35 1js8A1 GLY 2544 HA3 0.12 0.06 0.34 -0.51 4.01 4.01 1js8A1 ILE 2545 H -0.03 0.38 0.21 -0.55 8.25 8.26 1js8A1 ILE 2545 HA -0.09 0.04 0.59 -0.75 4.18 3.97 1js8A1 ILE 2545 HB -0.09 -0.02 0.05 -0.04 1.89 1.79 1js8A1 ILE 2545 HG12 -0.52 -0.09 -0.06 -0.04 1.49 0.78 1js8A1 ILE 2545 HG13 -0.01 0.15 0.05 -0.04 1.21 1.36 1js8A1 ILE 2545 HG23 -0.54 -0.02 -0.05 -0.04 0.93 0.27 1js8A1 ILE 2545 HD13 0.24 0.00 -0.24 -0.04 0.88 0.84 1js8A1 PRO 2546 HA -0.04 -0.08 0.40 -0.51 4.44 4.21 1js8A1 PRO 2546 HB2 0.00 0.12 -0.06 -0.04 2.28 2.30 1js8A1 PRO 2546 HB3 0.03 -0.04 0.08 -0.04 2.02 2.05 1js8A1 PRO 2546 HG2 0.05 0.11 0.06 -0.04 2.03 2.21 1js8A1 PRO 2546 HG3 0.07 -0.01 0.05 -0.04 2.03 2.10 1js8A1 PRO 2546 HD2 0.18 0.17 0.39 -0.04 3.68 4.39 1js8A1 PRO 2546 HD3 0.14 -0.06 0.15 -0.04 3.65 3.84 1js8A1 LEU 2547 H -0.12 -0.01 0.11 -0.55 8.37 7.79 1js8A1 LEU 2547 HA -0.16 0.21 0.38 -0.75 4.35 4.02 1js8A1 LEU 2547 HB2 -0.19 -0.04 0.04 -0.04 1.64 1.41 1js8A1 LEU 2547 HB3 -0.26 0.07 -0.22 -0.04 1.64 1.19 1js8A1 LEU 2547 HG -0.22 -0.09 0.01 -0.04 1.64 1.31 1js8A1 LEU 2547 HD13 -0.37 -0.00 -0.22 -0.04 0.93 0.29 1js8A1 LEU 2547 HD23 -0.12 0.02 -0.23 -0.04 0.89 0.51 1js8A1 SER 2548 H -0.22 0.14 0.29 -0.55 8.46 8.13 1js8A1 SER 2548 HA -0.15 0.18 0.93 -0.75 4.49 4.70 1js8A1 SER 2548 HB2 -0.17 -0.00 0.09 -0.04 3.95 3.82 1js8A1 SER 2548 HB3 -0.13 -0.10 0.12 -0.04 3.93 3.77 1js8A1 CYS 2549 H -0.58 0.32 0.10 -0.55 8.50 7.78 1js8A1 CYS 2549 HA -0.40 0.16 0.89 -0.75 4.58 4.48 1js8A1 CYS 2549 HB2 -1.21 0.13 -0.11 -0.04 2.97 1.73 1js8A1 CYS 2549 HB3 -1.12 -0.04 -0.03 -0.04 2.97 1.74 1js8A1 HIS 2550 H -0.18 0.22 0.13 -0.55 8.41 8.04 1js8A1 HIS 2550 HA -0.10 0.22 0.84 -0.75 4.63 4.83 1js8A1 HIS 2550 HB2 -0.02 -0.05 -0.07 -0.04 3.26 3.08 1js8A1 HIS 2550 HB3 0.02 0.02 -0.19 -0.04 3.20 3.01 1js8A1 HIS 2550 HD2 -0.03 0.12 -0.26 -0.04 6.97 6.76 1js8A1 HIS 2550 HE1 -0.09 0.05 -0.21 -0.04 7.75 7.46 1js8A1 TYR 2551 H 0.21 0.88 0.20 -0.55 8.29 9.03 1js8A1 TYR 2551 HA 0.15 0.10 0.51 -0.75 4.56 4.56 1js8A1 TYR 2551 HB2 0.11 -0.02 0.13 -0.04 3.06 3.24 1js8A1 TYR 2551 HB3 0.05 -0.12 0.10 -0.04 2.98 2.97 1js8A1 TYR 2551 HD2 -0.00 -0.03 -0.05 -0.04 7.15 7.02 1js8A1 TYR 2551 HE2 -0.24 0.02 -0.09 -0.04 6.85 6.50 1js8A1 GLU 2552 H 0.20 0.17 0.17 -0.55 8.60 8.59 1js8A1 GLU 2552 HA 0.10 0.12 0.34 -0.75 4.29 4.10 1js8A1 GLU 2552 HB2 0.08 -0.05 0.18 -0.04 2.09 2.26 1js8A1 GLU 2552 HB3 0.05 0.04 -0.09 -0.04 1.99 1.96 1js8A1 GLU 2552 HG2 0.04 0.00 0.05 -0.04 2.34 2.39 1js8A1 GLU 2552 HG3 0.05 0.03 0.07 -0.04 2.34 2.45 1js8A1 ASN 2553 H 0.15 -0.03 -0.54 -0.55 8.53 7.56 1js8A1 ASN 2553 HA 0.06 0.24 0.76 -0.75 4.76 5.06 1js8A1 ASN 2553 HB2 0.04 0.05 0.14 -0.04 2.88 3.07 1js8A1 ASN 2553 HB3 0.04 -0.01 0.00 -0.04 2.79 2.78 1js8A1 ASN 2553 HD21 0.02 0.02 -0.01 -0.04 7.03 7.01 1js8A1 ASN 2553 HD22 0.01 0.03 0.01 -0.04 7.74 7.75 1js8A1 GLY 2554 H 0.14 0.64 -0.31 -0.55 8.43 8.35 1js8A1 GLY 2554 HA2 0.07 0.05 0.24 -0.51 4.01 3.87 1js8A1 GLY 2554 HA3 0.06 0.11 0.49 -0.51 4.01 4.17 1js8A1 THR 2555 H 0.21 -0.05 -0.41 -0.55 8.28 7.48 1js8A1 THR 2555 HA 0.15 0.13 0.62 -0.75 4.39 4.53 1js8A1 THR 2555 HB 0.39 -0.11 0.05 -0.04 4.32 4.61 1js8A1 THR 2555 HG23 0.20 0.06 -0.02 -0.04 1.22 1.41 1js8A1 ALA 2556 H 0.06 0.11 0.22 -0.55 8.40 8.24 1js8A1 ALA 2556 HA -0.33 0.26 0.88 -0.75 4.34 4.40 1js8A1 ALA 2556 HB3 -0.21 -0.01 0.03 -0.04 1.41 1.17 1js8A1 TYR 2557 H -0.58 0.61 0.22 -0.55 8.29 7.99 1js8A1 TYR 2557 HA -0.08 0.16 0.76 -0.75 4.56 4.65 1js8A1 TYR 2557 HB2 -0.11 0.15 -0.00 -0.04 3.06 3.06 1js8A1 TYR 2557 HB3 -0.33 -0.05 -0.29 -0.04 2.98 2.28 1js8A1 TYR 2557 HD2 -0.67 0.15 -0.25 -0.04 7.15 6.33 1js8A1 TYR 2557 HE2 -0.28 0.03 -0.37 -0.04 6.85 6.19 1js8A1 ALA 2558 H 0.07 0.38 0.14 -0.55 8.40 8.44 1js8A1 ALA 2558 HA -0.14 0.12 0.61 -0.75 4.34 4.17 1js8A1 ALA 2558 HB3 -0.02 0.03 0.08 -0.04 1.41 1.46 1js8A1 CYS 2559 H -0.18 0.26 0.13 -0.55 8.50 8.16 1js8A1 CYS 2559 HA -0.23 -0.00 0.27 -0.75 4.58 3.86 1js8A1 CYS 2559 HB2 0.07 0.60 0.21 -0.04 2.97 3.81 1js8A1 CYS 2559 HB3 0.07 0.06 0.03 -0.04 2.97 3.09 1js8A1 CYS 2560 H -0.47 0.42 -0.02 -0.55 8.50 7.88 1js8A1 CYS 2560 HA -2.92 0.02 0.43 -0.75 4.58 1.36 1js8A1 CYS 2560 HB2 -1.05 -0.05 -0.07 -0.04 2.97 1.76 1js8A1 CYS 2560 HB3 -0.99 0.02 0.09 -0.04 2.97 2.04 1js8A1 GLN 2561 H -1.62 0.11 0.14 -0.55 8.47 6.55 1js8A1 GLN 2561 HA -0.30 0.14 0.72 -0.75 4.36 4.17 1js8A1 GLN 2561 HB2 -0.25 -0.02 0.09 -0.04 2.15 1.93 1js8A1 GLN 2561 HB3 -0.11 -0.15 -0.11 -0.04 2.02 1.60 1js8A1 GLN 2561 HG2 -0.12 0.01 -0.03 -0.04 2.40 2.22 1js8A1 GLN 2561 HG3 -0.46 0.26 -0.00 -0.04 2.39 2.15 1js8A1 GLN 2561 HE21 0.21 0.02 0.04 -0.04 6.97 7.20 1js8A1 GLN 2561 HE22 0.12 0.12 0.06 -0.04 7.69 7.95 1js8A1 HIS 2562 H -0.16 0.38 0.17 -0.55 8.41 8.26 1js8A1 HIS 2562 HA -0.18 0.08 0.60 -0.75 4.63 4.37 1js8A1 HIS 2562 HB2 -0.57 0.05 -0.05 -0.04 3.26 2.64 1js8A1 HIS 2562 HB3 -0.54 -0.05 0.05 -0.04 3.20 2.62 1js8A1 HIS 2562 HD2 -0.27 0.28 -0.30 -0.04 6.97 6.64 1js8A1 HIS 2562 HE1 0.39 -0.01 -0.15 -0.04 7.75 7.94 1js8A1 GLY 2563 H -0.78 0.16 0.07 -0.55 8.43 7.33 1js8A1 GLY 2563 HA2 -1.81 0.02 0.23 -0.51 4.01 1.95 1js8A1 GLY 2563 HA3 -1.98 0.09 0.34 -0.51 4.01 1.96 1js8A1 MET 2564 H -0.32 0.18 -0.26 -0.55 8.47 7.52 1js8A1 MET 2564 HA -0.11 0.16 0.64 -0.75 4.52 4.46 1js8A1 MET 2564 HB2 0.00 -0.13 0.01 -0.04 2.15 2.00 1js8A1 MET 2564 HB3 -0.05 0.19 -0.06 -0.04 2.03 2.06 1js8A1 MET 2564 HG2 -0.18 0.08 -0.53 -0.04 2.63 1.96 1js8A1 MET 2564 HG3 -0.05 -0.13 -0.29 -0.04 2.56 2.06 1js8A1 MET 2564 HE3 0.05 -0.02 -0.03 -0.04 2.10 2.06 1js8A1 VAL 2565 H 0.05 0.20 0.10 -0.55 8.24 8.05 1js8A1 VAL 2565 HA -0.05 0.10 0.35 -0.75 4.13 3.78 1js8A1 VAL 2565 HB 0.03 -0.02 0.06 -0.04 2.12 2.15 1js8A1 VAL 2565 HG13 0.12 0.01 0.07 -0.04 0.97 1.12 1js8A1 VAL 2565 HG23 0.38 0.02 -0.19 -0.04 0.95 1.13 1js8A1 THR 2566 H 0.08 0.08 -0.46 -0.55 8.28 7.42 1js8A1 THR 2566 HA 0.13 0.17 0.58 -0.75 4.39 4.51 1js8A1 THR 2566 HB 0.15 0.02 0.08 -0.04 4.32 4.53 1js8A1 THR 2566 HG23 0.14 0.03 -0.13 -0.04 1.22 1.22 1js8A1 PHE 2567 H 0.12 0.33 -0.43 -0.55 8.34 7.80 1js8A1 PHE 2567 HA 0.03 0.22 0.40 -0.75 4.62 4.52 1js8A1 PHE 2567 HB2 -0.24 -0.08 -0.02 -0.04 3.15 2.77 1js8A1 PHE 2567 HB3 -0.19 0.07 0.05 -0.04 3.06 2.95 1js8A1 PHE 2567 HD2 -0.35 0.10 -0.02 -0.04 7.28 6.98 1js8A1 PHE 2567 HE2 -0.79 0.01 -0.10 -0.04 7.38 6.45 1js8A1 PHE 2567 HZ -1.53 0.00 -0.08 -0.04 7.32 5.66 1js8A1 PRO 2568 HA -0.27 0.08 0.40 -0.51 4.44 4.14 1js8A1 PRO 2568 HB2 -1.56 0.06 -0.04 -0.04 2.28 0.70 1js8A1 PRO 2568 HB3 -0.80 0.05 -0.00 -0.04 2.02 1.22 1js8A1 PRO 2568 HG2 -0.41 0.06 0.02 -0.04 2.03 1.67 1js8A1 PRO 2568 HG3 0.21 0.01 -0.01 -0.04 2.03 2.20 1js8A1 PRO 2568 HD2 -0.04 0.22 -0.04 -0.04 3.68 3.78 1js8A1 PRO 2568 HD3 0.12 0.02 -0.02 -0.04 3.65 3.73 1js8A1 ASN 2569 H -0.15 0.10 -0.28 -0.55 8.53 7.66 1js8A1 ASN 2569 HA 0.29 0.13 0.34 -0.75 4.76 4.77 1js8A1 ASN 2569 HB2 0.08 0.04 0.11 -0.04 2.88 3.07 1js8A1 ASN 2569 HB3 0.05 0.07 -0.02 -0.04 2.79 2.84 1js8A1 ASN 2569 HD21 -0.98 -0.02 -0.07 -0.04 7.03 5.93 1js8A1 ASN 2569 HD22 -0.22 0.07 0.00 -0.04 7.74 7.56 1js8A1 TRP 2570 H 0.21 0.66 -0.03 -0.55 7.97 8.26 1js8A1 TRP 2570 HA -0.04 0.05 0.33 -0.75 4.62 4.20 1js8A1 TRP 2570 HB2 -0.03 0.03 0.13 -0.04 3.23 3.31 1js8A1 TRP 2570 HB3 -0.16 0.06 0.15 -0.04 3.23 3.24 1js8A1 TRP 2570 HD1 0.08 -0.10 -0.01 -0.04 7.22 7.15 1js8A1 TRP 2570 HE1 0.01 0.68 0.00 -0.04 10.20 10.85 1js8A1 TRP 2570 HE3 -1.20 0.04 -0.36 -0.04 7.59 6.03 1js8A1 TRP 2570 HZ2 -0.12 0.18 -0.14 -0.04 7.44 7.32 1js8A1 TRP 2570 HZ3 -0.14 -0.03 -0.13 -0.04 7.13 6.79 1js8A1 TRP 2570 HH2 0.07 -0.01 -0.51 -0.04 7.19 6.70 1js8A1 HIS 2571 H 0.20 0.51 -0.24 -0.55 8.41 8.34 1js8A1 HIS 2571 HA 0.10 0.01 0.47 -0.75 4.63 4.46 1js8A1 HIS 2571 HB2 -0.29 0.11 0.07 -0.04 3.26 3.12 1js8A1 HIS 2571 HB3 -0.15 -0.07 0.05 -0.04 3.20 2.98 1js8A1 HIS 2571 HD2 -0.20 -0.03 -0.05 -0.04 6.97 6.64 1js8A1 HIS 2571 HE1 -0.69 0.24 -0.06 -0.04 7.75 7.19 1js8A1 ARG 2572 H 0.10 0.46 -0.34 -0.55 8.46 8.13 1js8A1 ARG 2572 HA 0.15 -0.00 0.56 -0.75 4.34 4.30 1js8A1 ARG 2572 HB2 0.47 -0.03 0.08 -0.04 1.90 2.37 1js8A1 ARG 2572 HB3 0.23 0.18 0.21 -0.04 1.80 2.37 1js8A1 ARG 2572 HG2 0.08 0.02 -0.26 -0.04 1.67 1.46 1js8A1 ARG 2572 HG3 0.21 -0.11 -0.00 -0.04 1.67 1.73 1js8A1 ARG 2572 HD2 0.11 0.17 -0.00 -0.04 3.22 3.46 1js8A1 ARG 2572 HD3 -0.00 -0.03 -0.11 -0.04 3.22 3.03 1js8A1 LEU 2573 H -0.26 0.50 -0.07 -0.55 8.37 8.00 1js8A1 LEU 2573 HA -0.31 0.05 0.52 -0.75 4.35 3.86 1js8A1 LEU 2573 HB2 -1.36 0.13 0.11 -0.04 1.64 0.48 1js8A1 LEU 2573 HB3 -1.31 -0.06 0.00 -0.04 1.64 0.23 1js8A1 LEU 2573 HG -0.27 0.15 0.05 -0.04 1.64 1.53 1js8A1 LEU 2573 HD13 -0.33 0.03 -0.04 -0.04 0.93 0.55 1js8A1 LEU 2573 HD23 -0.16 -0.00 -0.06 -0.04 0.89 0.63 1js8A1 LEU 2574 H -0.50 0.44 -0.08 -0.55 8.37 7.69 1js8A1 LEU 2574 HA 0.05 0.07 0.47 -0.75 4.35 4.19 1js8A1 LEU 2574 HB2 -0.44 0.07 0.02 -0.04 1.64 1.25 1js8A1 LEU 2574 HB3 -0.05 0.02 0.04 -0.04 1.64 1.61 1js8A1 LEU 2574 HG 0.28 -0.04 -0.32 -0.04 1.64 1.52 1js8A1 LEU 2574 HD13 0.11 0.00 -0.06 -0.04 0.93 0.95 1js8A1 LEU 2574 HD23 0.49 -0.00 -0.12 -0.04 0.89 1.22 1js8A1 THR 2575 H -0.01 0.45 -0.34 -0.55 8.28 7.83 1js8A1 THR 2575 HA 0.23 0.03 0.47 -0.75 4.39 4.38 1js8A1 THR 2575 HB 0.03 0.13 0.07 -0.04 4.32 4.50 1js8A1 THR 2575 HG23 0.11 -0.03 -0.09 -0.04 1.22 1.16 1js8A1 LYS 2576 H -0.08 0.37 -0.34 -0.55 8.42 7.81 1js8A1 LYS 2576 HA -0.12 0.00 0.43 -0.75 4.32 3.88 1js8A1 LYS 2576 HB2 -0.00 0.03 0.10 -0.04 1.87 1.96 1js8A1 LYS 2576 HB3 -0.10 0.13 0.24 -0.04 1.79 2.02 1js8A1 LYS 2576 HG2 -0.02 0.01 -0.02 -0.04 1.46 1.39 1js8A1 LYS 2576 HG3 -0.04 -0.07 -0.23 -0.04 1.46 1.08 1js8A1 LYS 2576 HD2 0.00 -0.15 0.07 -0.04 1.69 1.57 1js8A1 LYS 2576 HD3 0.14 0.05 0.03 -0.04 1.68 1.86 1js8A1 LYS 2576 HE2 0.03 0.20 0.12 -0.04 2.99 3.29 1js8A1 LYS 2576 HE3 0.01 -0.19 -0.02 -0.04 2.99 2.75 1js8A1 GLN 2577 H -0.07 0.46 -0.25 -0.55 8.47 8.06 1js8A1 GLN 2577 HA -0.02 -0.04 0.35 -0.75 4.36 3.90 1js8A1 GLN 2577 HB2 0.10 0.15 0.16 -0.04 2.15 2.52 1js8A1 GLN 2577 HB3 -0.01 0.14 0.13 -0.04 2.02 2.24 1js8A1 GLN 2577 HG2 -0.14 0.04 -0.00 -0.04 2.40 2.26 1js8A1 GLN 2577 HG3 -0.11 -0.02 -0.04 -0.04 2.39 2.17 1js8A1 GLN 2577 HE21 0.15 -0.13 0.02 -0.04 6.97 6.96 1js8A1 GLN 2577 HE22 -0.00 0.09 0.01 -0.04 7.69 7.75 1js8A1 MET 2578 H -0.05 0.41 -0.29 -0.55 8.47 7.99 1js8A1 MET 2578 HA -0.18 0.06 0.39 -0.75 4.52 4.03 1js8A1 MET 2578 HB2 -0.29 0.05 0.06 -0.04 2.15 1.94 1js8A1 MET 2578 HB3 -0.15 0.09 0.08 -0.04 2.03 2.00 1js8A1 MET 2578 HG2 -1.44 -0.01 -0.03 -0.04 2.63 1.11 1js8A1 MET 2578 HG3 -0.35 -0.04 -0.15 -0.04 2.56 1.98 1js8A1 MET 2578 HE3 -0.87 -0.00 -0.03 -0.04 2.10 1.16 1js8A1 GLU 2579 H -0.06 0.38 -0.33 -0.55 8.60 8.05 1js8A1 GLU 2579 HA -0.04 -0.00 0.41 -0.75 4.29 3.90 1js8A1 GLU 2579 HB2 -0.08 0.09 0.14 -0.04 2.09 2.20 1js8A1 GLU 2579 HB3 -0.08 0.13 0.19 -0.04 1.99 2.19 1js8A1 GLU 2579 HG2 -0.04 0.05 -0.23 -0.04 2.34 2.08 1js8A1 GLU 2579 HG3 -0.05 -0.11 0.03 -0.04 2.34 2.17 1js8A1 ASP 2580 H -0.04 0.65 -0.03 -0.55 8.40 8.44 1js8A1 ASP 2580 HA -0.01 0.02 0.41 -0.75 4.63 4.30 1js8A1 ASP 2580 HB2 -0.02 0.15 0.16 -0.04 2.71 2.96 1js8A1 ASP 2580 HB3 -0.00 -0.04 0.00 -0.04 2.70 2.61 1js8A1 ALA 2581 H -0.05 0.38 -0.33 -0.55 8.40 7.85 1js8A1 ALA 2581 HA -0.02 0.01 0.42 -0.75 4.34 3.99 1js8A1 ALA 2581 HB3 -0.06 0.06 0.13 -0.04 1.41 1.50 1js8A1 LEU 2582 H -0.03 0.44 -0.23 -0.55 8.37 8.01 1js8A1 LEU 2582 HA -0.00 0.06 0.41 -0.75 4.35 4.07 1js8A1 LEU 2582 HB2 -0.00 0.18 0.13 -0.04 1.64 1.91 1js8A1 LEU 2582 HB3 0.03 -0.09 -0.07 -0.04 1.64 1.46 1js8A1 LEU 2582 HG -0.05 0.15 0.04 -0.04 1.64 1.74 1js8A1 LEU 2582 HD13 0.03 -0.03 -0.07 -0.04 0.93 0.82 1js8A1 LEU 2582 HD23 0.01 -0.01 -0.12 -0.04 0.89 0.73 1js8A1 VAL 2583 H -0.00 0.55 -0.06 -0.55 8.24 8.18 1js8A1 VAL 2583 HA 0.02 0.18 0.59 -0.75 4.13 4.17 1js8A1 VAL 2583 HB 0.00 0.06 0.15 -0.04 2.12 2.30 1js8A1 VAL 2583 HG13 0.02 0.01 -0.11 -0.04 0.97 0.85 1js8A1 VAL 2583 HG23 0.00 0.01 -0.13 -0.04 0.95 0.79 1js8A1 ALA 2584 H 0.00 0.49 -0.26 -0.55 8.40 8.08 1js8A1 ALA 2584 HA 0.01 0.02 0.39 -0.75 4.34 4.00 1js8A1 ALA 2584 HB3 0.00 0.02 0.11 -0.04 1.41 1.51 1js8A1 LYS 2585 H 0.01 0.23 -0.51 -0.55 8.42 7.60 1js8A1 LYS 2585 HA 0.01 0.12 0.81 -0.75 4.32 4.50 1js8A1 LYS 2585 HB2 0.01 0.06 0.23 -0.04 1.87 2.13 1js8A1 LYS 2585 HB3 0.01 -0.10 0.28 -0.04 1.79 1.94 1js8A1 LYS 2585 HG2 -0.00 0.15 -0.01 -0.04 1.46 1.56 1js8A1 LYS 2585 HG3 -0.00 -0.08 -0.12 -0.04 1.46 1.22 1js8A1 LYS 2585 HD2 0.00 -0.07 -0.01 -0.04 1.69 1.56 1js8A1 LYS 2585 HD3 0.00 0.08 0.02 -0.04 1.68 1.74 1js8A1 LYS 2585 HE2 0.00 -0.06 -0.02 -0.04 2.99 2.87 1js8A1 LYS 2585 HE3 0.00 0.02 -0.08 -0.04 2.99 2.90 1js8A1 GLY 2586 H 0.02 0.43 -0.61 -0.55 8.43 7.73 1js8A1 GLY 2586 HA2 0.04 -0.02 0.26 -0.51 4.01 3.77 1js8A1 GLY 2586 HA3 0.04 0.11 0.82 -0.51 4.01 4.46 1js8A1 SER 2587 H 0.04 0.66 0.11 -0.55 8.46 8.73 1js8A1 SER 2587 HA 0.11 -0.05 0.41 -0.75 4.49 4.21 1js8A1 SER 2587 HB2 0.04 0.02 -0.03 -0.04 3.95 3.94 1js8A1 SER 2587 HB3 0.02 -0.02 -0.21 -0.04 3.93 3.67 1js8A1 HIS 2588 H 0.11 0.04 0.22 -0.55 8.41 8.24 1js8A1 HIS 2588 HA 0.01 0.25 0.85 -0.75 4.63 4.99 1js8A1 HIS 2588 HB2 0.01 -0.02 0.17 -0.04 3.26 3.38 1js8A1 HIS 2588 HB3 0.01 0.08 0.07 -0.04 3.20 3.32 1js8A1 HIS 2588 HD2 0.01 -0.00 -0.04 -0.04 6.97 6.89 1js8A1 HIS 2588 HE1 0.00 0.04 -0.04 -0.04 7.75 7.71 1js8A1 VAL 2589 H -0.23 0.10 -0.05 -0.55 8.24 7.51 1js8A1 VAL 2589 HA -0.12 0.12 0.84 -0.75 4.13 4.23 1js8A1 VAL 2589 HB -0.62 -0.13 -0.07 -0.04 2.12 1.25 1js8A1 VAL 2589 HG13 -0.16 0.05 -0.09 -0.04 0.97 0.74 1js8A1 VAL 2589 HG23 -0.11 0.02 0.05 -0.04 0.95 0.86 1js8A1 GLY 2590 H -0.04 0.49 0.10 -0.55 8.43 8.43 1js8A1 GLY 2590 HA2 -0.03 0.10 0.37 -0.51 4.01 3.94 1js8A1 GLY 2590 HA3 -0.04 0.03 0.04 -0.51 4.01 3.53 1js8A1 ILE 2591 H -0.03 0.10 0.04 -0.55 8.25 7.81 1js8A1 ILE 2591 HA 0.09 0.10 0.41 -0.75 4.18 4.03 1js8A1 ILE 2591 HB 0.06 -0.05 0.10 -0.04 1.89 1.95 1js8A1 ILE 2591 HG12 0.10 0.03 -0.04 -0.04 1.49 1.55 1js8A1 ILE 2591 HG13 0.01 -0.06 0.04 -0.04 1.21 1.16 1js8A1 ILE 2591 HG23 0.24 0.04 -0.16 -0.04 0.93 1.02 1js8A1 ILE 2591 HD13 0.09 0.00 -0.05 -0.04 0.88 0.89 1js8A1 PRO 2592 HA 0.04 -0.03 0.65 -0.51 4.44 4.60 1js8A1 PRO 2592 HB2 -0.08 -0.08 -0.00 -0.04 2.28 2.08 1js8A1 PRO 2592 HB3 -0.06 -0.01 0.05 -0.04 2.02 1.95 1js8A1 PRO 2592 HG2 -0.03 -0.06 0.01 -0.04 2.03 1.92 1js8A1 PRO 2592 HG3 -0.12 0.01 0.03 -0.04 2.03 1.91 1js8A1 PRO 2592 HD2 0.09 0.04 0.18 -0.04 3.68 3.95 1js8A1 PRO 2592 HD3 -0.00 0.30 0.21 -0.04 3.65 4.11 1js8A1 TYR 2593 H -0.15 0.27 0.04 -0.55 8.29 7.90 1js8A1 TYR 2593 HA 0.17 0.33 0.99 -0.75 4.56 5.30 1js8A1 TYR 2593 HB2 0.06 -0.03 -0.19 -0.04 3.06 2.86 1js8A1 TYR 2593 HB3 0.17 0.11 -0.35 -0.04 2.98 2.87 1js8A1 TYR 2593 HD2 0.13 0.03 -0.30 -0.04 7.15 6.96 1js8A1 TYR 2593 HE2 0.10 0.01 -0.05 -0.04 6.85 6.86 1js8A1 TRP 2594 H 0.43 0.61 0.16 -0.55 7.97 8.62 1js8A1 TRP 2594 HA 0.01 0.03 0.82 -0.75 4.62 4.73 1js8A1 TRP 2594 HB2 0.06 0.01 0.02 -0.04 3.23 3.28 1js8A1 TRP 2594 HB3 0.18 0.03 0.01 -0.04 3.23 3.41 1js8A1 TRP 2594 HD1 -0.03 -0.06 -0.09 -0.04 7.22 6.99 1js8A1 TRP 2594 HE1 -0.38 0.10 -0.13 -0.04 10.20 9.75 1js8A1 TRP 2594 HE3 0.10 -0.02 -0.03 -0.04 7.59 7.59 1js8A1 TRP 2594 HZ2 -1.89 0.08 -0.11 -0.04 7.44 5.48 1js8A1 TRP 2594 HZ3 -0.28 0.01 -0.03 -0.04 7.13 6.79 1js8A1 TRP 2594 HH2 -0.32 0.04 -0.05 -0.04 7.19 6.82 1js8A1 ASP 2595 H 0.18 0.17 0.02 -0.55 8.40 8.21 1js8A1 ASP 2595 HA -0.30 0.08 0.53 -0.75 4.63 4.18 1js8A1 ASP 2595 HB2 0.20 0.02 0.08 -0.04 2.71 2.98 1js8A1 ASP 2595 HB3 0.04 0.03 0.22 -0.04 2.70 2.95 1js8A1 TRP 2596 H -1.22 0.41 0.20 -0.55 7.97 6.81 1js8A1 TRP 2596 HA -0.60 0.25 0.53 -0.75 4.62 4.04 1js8A1 TRP 2596 HB2 -0.95 0.03 0.09 -0.04 3.23 2.36 1js8A1 TRP 2596 HB3 -2.71 -0.00 0.01 -0.04 3.23 0.49 1js8A1 TRP 2596 HD1 -0.73 0.00 0.10 -0.04 7.22 6.55 1js8A1 TRP 2596 HE1 0.25 0.08 0.13 -0.04 10.20 10.62 1js8A1 TRP 2596 HE3 -0.33 0.00 -0.53 -0.04 7.59 6.69 1js8A1 TRP 2596 HZ2 0.02 -0.00 -0.03 -0.04 7.44 7.39 1js8A1 TRP 2596 HZ3 0.17 0.02 -0.14 -0.04 7.13 7.13 1js8A1 TRP 2596 HH2 0.06 0.02 -0.14 -0.04 7.19 7.09 1js8A1 THR 2597 H -0.31 0.03 -0.36 -0.55 8.28 7.09 1js8A1 THR 2597 HA 0.47 0.07 0.46 -0.75 4.39 4.63 1js8A1 THR 2597 HB 0.34 0.01 -0.04 -0.04 4.32 4.58 1js8A1 THR 2597 HG23 -0.15 0.00 -0.13 -0.04 1.22 0.90 1js8A1 THR 2598 H 0.08 0.20 -0.34 -0.55 8.28 7.67 1js8A1 THR 2598 HA 0.06 0.07 0.64 -0.75 4.39 4.40 1js8A1 THR 2598 HB 0.02 0.15 0.13 -0.04 4.32 4.58 1js8A1 THR 2598 HG23 -0.00 0.04 -0.06 -0.04 1.22 1.16 1js8A1 THR 2599 H 0.14 0.09 0.13 -0.55 8.28 8.10 1js8A1 THR 2599 HA 0.12 0.05 0.39 -0.75 4.39 4.20 1js8A1 THR 2599 HB 0.10 -0.03 0.01 -0.04 4.32 4.36 1js8A1 THR 2599 HG23 0.06 0.00 0.06 -0.04 1.22 1.30 1js8A1 PHE 2600 H -0.18 0.29 0.24 -0.55 8.34 8.14 1js8A1 PHE 2600 HA 0.20 0.08 0.73 -0.75 4.62 4.88 1js8A1 PHE 2600 HB2 0.37 0.05 0.06 -0.04 3.15 3.59 1js8A1 PHE 2600 HB3 0.35 0.11 -0.11 -0.04 3.06 3.37 1js8A1 PHE 2600 HD2 0.46 0.14 -0.24 -0.04 7.28 7.59 1js8A1 PHE 2600 HE2 -0.00 0.03 -0.10 -0.04 7.38 7.27 1js8A1 PHE 2600 HZ -0.02 -0.03 -0.01 -0.04 7.32 7.21 1js8A1 ALA 2601 H 0.26 0.16 0.13 -0.55 8.40 8.41 1js8A1 ALA 2601 HA 0.17 0.16 0.82 -0.75 4.34 4.74 1js8A1 ALA 2601 HB3 0.04 0.01 0.08 -0.04 1.41 1.50 1js8A1 ASN 2602 H 0.48 0.17 -0.10 -0.55 8.53 8.52 1js8A1 ASN 2602 HA -0.17 0.10 0.46 -0.75 4.76 4.40 1js8A1 ASN 2602 HB2 -0.02 0.08 -0.01 -0.04 2.88 2.88 1js8A1 ASN 2602 HB3 -0.14 0.13 -0.04 -0.04 2.79 2.70 1js8A1 ASN 2602 HD21 0.02 -0.03 -0.11 -0.04 7.03 6.87 1js8A1 ASN 2602 HD22 -0.04 0.09 -0.17 -0.04 7.74 7.58 1js8A1 LEU 2603 H 0.13 0.13 0.06 -0.55 8.37 8.14 1js8A1 LEU 2603 HA -0.40 0.08 0.38 -0.75 4.35 3.66 1js8A1 LEU 2603 HB2 -0.08 0.01 -0.01 -0.04 1.64 1.52 1js8A1 LEU 2603 HB3 -0.34 0.04 0.01 -0.04 1.64 1.31 1js8A1 LEU 2603 HG 0.28 -0.03 0.03 -0.04 1.64 1.88 1js8A1 LEU 2603 HD13 -0.00 0.01 -0.02 -0.04 0.93 0.88 1js8A1 LEU 2603 HD23 -0.11 0.00 -0.05 -0.04 0.89 0.69 1js8A1 PRO 2604 HA -0.14 0.10 0.45 -0.51 4.44 4.34 1js8A1 PRO 2604 HB2 -0.22 -0.08 -0.01 -0.04 2.28 1.93 1js8A1 PRO 2604 HB3 -0.25 0.05 0.08 -0.04 2.02 1.85 1js8A1 PRO 2604 HG2 -0.50 -0.00 0.04 -0.04 2.03 1.53 1js8A1 PRO 2604 HG3 -0.87 0.03 0.04 -0.04 2.03 1.19 1js8A1 PRO 2604 HD2 -1.28 0.10 0.17 -0.04 3.68 2.63 1js8A1 PRO 2604 HD3 -1.75 0.17 0.13 -0.04 3.65 2.17 1js8A1 VAL 2605 H -0.07 0.17 0.13 -0.55 8.24 7.91 1js8A1 VAL 2605 HA -0.04 0.10 0.30 -0.75 4.13 3.74 1js8A1 VAL 2605 HB -0.04 0.01 0.04 -0.04 2.12 2.09 1js8A1 VAL 2605 HG13 -0.02 0.02 -0.02 -0.04 0.97 0.91 1js8A1 VAL 2605 HG23 -0.02 0.02 0.07 -0.04 0.95 0.97 1js8A1 LEU 2606 H -0.11 0.04 -0.29 -0.55 8.37 7.47 1js8A1 LEU 2606 HA -0.09 0.06 0.21 -0.75 4.35 3.77 1js8A1 LEU 2606 HB2 -0.17 -0.01 0.04 -0.04 1.64 1.46 1js8A1 LEU 2606 HB3 -0.19 -0.04 -0.04 -0.04 1.64 1.34 1js8A1 LEU 2606 HG -0.52 0.05 -0.23 -0.04 1.64 0.91 1js8A1 LEU 2606 HD13 -0.33 0.00 0.03 -0.04 0.93 0.59 1js8A1 LEU 2606 HD23 -0.47 0.00 -0.05 -0.04 0.89 0.33 1js8A1 VAL 2607 H -0.10 0.27 -0.45 -0.55 8.24 7.40 1js8A1 VAL 2607 HA 0.11 0.15 0.53 -0.75 4.13 4.17 1js8A1 VAL 2607 HB 0.03 0.15 0.04 -0.04 2.12 2.29 1js8A1 VAL 2607 HG13 0.06 -0.06 -0.15 -0.04 0.97 0.78 1js8A1 VAL 2607 HG23 -0.18 0.00 -0.15 -0.04 0.95 0.58 1js8A1 THR 2608 H -0.02 0.24 -0.15 -0.55 8.28 7.80 1js8A1 THR 2608 HA 0.06 0.23 0.84 -0.75 4.39 4.77 1js8A1 THR 2608 HB 0.03 -0.05 -0.03 -0.04 4.32 4.23 1js8A1 THR 2608 HG23 -0.04 0.01 -0.18 -0.04 1.22 0.97 1js8A1 GLU 2609 H 0.06 0.37 -0.07 -0.55 8.60 8.42 1js8A1 GLU 2609 HA 0.04 -0.06 0.49 -0.75 4.29 4.01 1js8A1 GLU 2609 HB2 0.04 0.09 0.03 -0.04 2.09 2.21 1js8A1 GLU 2609 HB3 0.02 0.03 -0.09 -0.04 1.99 1.91 1js8A1 GLU 2609 HG2 0.01 -0.04 0.02 -0.04 2.34 2.29 1js8A1 GLU 2609 HG3 0.01 -0.03 0.01 -0.04 2.34 2.29 1js8A1 GLU 2610 H -0.01 0.05 0.19 -0.55 8.60 8.28 1js8A1 GLU 2610 HA -0.58 0.21 0.55 -0.75 4.29 3.71 1js8A1 GLU 2610 HB2 -0.10 -0.07 0.03 -0.04 2.09 1.91 1js8A1 GLU 2610 HB3 -0.28 0.01 0.05 -0.04 1.99 1.73 1js8A1 GLU 2610 HG2 0.01 0.20 0.05 -0.04 2.34 2.56 1js8A1 GLU 2610 HG3 -0.02 -0.06 0.12 -0.04 2.34 2.34 1js8A1 LYS 2611 H -0.04 0.02 -0.04 -0.55 8.42 7.81 1js8A1 LYS 2611 HA -0.04 0.11 0.68 -0.75 4.32 4.32 1js8A1 LYS 2611 HB2 -0.02 -0.02 0.09 -0.04 1.87 1.88 1js8A1 LYS 2611 HB3 -0.02 0.04 -0.04 -0.04 1.79 1.73 1js8A1 LYS 2611 HG2 -0.03 0.04 -0.02 -0.04 1.46 1.41 1js8A1 LYS 2611 HG3 -0.04 -0.06 -0.02 -0.04 1.46 1.30 1js8A1 LYS 2611 HD2 -0.02 -0.01 0.01 -0.04 1.69 1.63 1js8A1 LYS 2611 HD3 -0.01 0.02 -0.01 -0.04 1.68 1.63 1js8A1 LYS 2611 HE2 -0.01 0.00 -0.00 -0.04 2.99 2.93 1js8A1 LYS 2611 HE3 -0.02 0.02 -0.01 -0.04 2.99 2.94 1js8A1 ASP 2612 H -0.01 0.15 0.16 -0.55 8.40 8.15 1js8A1 ASP 2612 HA -0.00 0.02 0.29 -0.75 4.63 4.18 1js8A1 ASP 2612 HB2 -0.00 0.05 -0.19 -0.04 2.71 2.53 1js8A1 ASP 2612 HB3 0.00 0.01 0.15 -0.04 2.70 2.82 1js8A1 ASN 2613 H 0.02 0.24 -0.26 -0.55 8.53 7.97 1js8A1 ASN 2613 HA 0.08 0.11 0.86 -0.75 4.76 5.05 1js8A1 ASN 2613 HB2 0.06 0.05 -0.39 -0.04 2.88 2.55 1js8A1 ASN 2613 HB3 0.11 0.12 -0.04 -0.04 2.79 2.94 1js8A1 ASN 2613 HD21 0.11 0.46 0.01 -0.04 7.03 7.57 1js8A1 ASN 2613 HD22 0.15 0.53 -0.09 -0.04 7.74 8.29 1js8A1 SER 2614 H 0.09 0.21 0.12 -0.55 8.46 8.34 1js8A1 SER 2614 HA -0.11 0.13 0.55 -0.75 4.49 4.31 1js8A1 SER 2614 HB2 -0.19 0.04 -0.03 -0.04 3.95 3.74 1js8A1 SER 2614 HB3 -0.07 -0.01 0.10 -0.04 3.93 3.91 1js8A1 PHE 2615 H 0.31 0.05 -0.30 -0.55 8.34 7.84 1js8A1 PHE 2615 HA 0.03 0.16 0.67 -0.75 4.62 4.74 1js8A1 PHE 2615 HB2 0.03 0.15 -0.02 -0.04 3.15 3.27 1js8A1 PHE 2615 HB3 0.03 -0.08 -0.07 -0.04 3.06 2.90 1js8A1 PHE 2615 HD2 0.05 -0.07 -0.10 -0.04 7.28 7.12 1js8A1 PHE 2615 HE2 0.07 0.05 -0.20 -0.04 7.38 7.26 1js8A1 PHE 2615 HZ 0.04 0.03 -0.08 -0.04 7.32 7.27 1js8A1 HIS 2616 H 0.19 0.27 -0.29 -0.55 8.41 8.03 1js8A1 HIS 2616 HA 0.11 0.36 0.53 -0.75 4.63 4.87 1js8A1 HIS 2616 HB2 0.10 0.17 0.02 -0.04 3.26 3.52 1js8A1 HIS 2616 HB3 0.17 0.04 0.08 -0.04 3.20 3.44 1js8A1 HIS 2616 HD2 0.06 0.06 -0.56 -0.04 6.97 6.49 1js8A1 HIS 2616 HE1 -0.02 -0.06 -0.01 -0.04 7.75 7.61 1js8A1 HIS 2617 H -0.04 0.34 -0.12 -0.55 8.41 8.05 1js8A1 HIS 2617 HA 0.03 -0.00 0.30 -0.75 4.63 4.21 1js8A1 HIS 2617 HB2 0.05 -0.07 0.23 -0.04 3.26 3.44 1js8A1 HIS 2617 HB3 0.05 0.24 -0.00 -0.04 3.20 3.45 1js8A1 HIS 2617 HD2 0.06 0.00 -0.22 -0.04 6.97 6.76 1js8A1 HIS 2617 HE1 0.03 -0.02 -0.04 -0.04 7.75 7.68 1js8A1 ALA 2618 H 0.17 0.17 0.30 -0.55 8.40 8.50 1js8A1 ALA 2618 HA -0.17 0.14 0.68 -0.75 4.34 4.23 1js8A1 ALA 2618 HB3 0.01 0.04 0.13 -0.04 1.41 1.55 1js8A1 HIS 2619 H 0.07 0.18 0.21 -0.55 8.41 8.32 1js8A1 HIS 2619 HA -0.01 0.17 0.85 -0.75 4.63 4.88 1js8A1 HIS 2619 HB2 -0.01 -0.00 0.03 -0.04 3.26 3.24 1js8A1 HIS 2619 HB3 -0.02 -0.01 0.06 -0.04 3.20 3.18 1js8A1 HIS 2619 HD2 -0.04 -0.05 -0.29 -0.04 6.97 6.56 1js8A1 HIS 2619 HE1 -0.05 0.01 -0.07 -0.04 7.75 7.60 1js8A1 ILE 2620 H -0.69 0.95 0.26 -0.55 8.25 8.21 1js8A1 ILE 2620 HA -0.54 0.16 0.80 -0.75 4.18 3.85 1js8A1 ILE 2620 HB -0.56 -0.03 0.08 -0.04 1.89 1.34 1js8A1 ILE 2620 HG12 -0.87 0.05 -0.14 -0.04 1.49 0.49 1js8A1 ILE 2620 HG13 -0.32 -0.01 -0.40 -0.04 1.21 0.44 1js8A1 ILE 2620 HG23 -0.58 -0.06 -0.10 -0.04 0.93 0.15 1js8A1 ILE 2620 HD13 -0.32 0.02 -0.18 -0.04 0.88 0.36 1js8A1 ASP 2621 H -0.08 0.26 -0.01 -0.55 8.40 8.01 1js8A1 ASP 2621 HA 0.00 0.09 0.38 -0.75 4.63 4.34 1js8A1 ASP 2621 HB2 0.05 -0.04 0.16 -0.04 2.71 2.84 1js8A1 ASP 2621 HB3 0.05 0.05 0.01 -0.04 2.70 2.78 1js8A1 VAL 2622 H -0.03 0.13 -0.07 -0.55 8.24 7.73 1js8A1 VAL 2622 HA 0.01 0.07 0.24 -0.75 4.13 3.69 1js8A1 VAL 2622 HB 0.05 0.00 0.01 -0.04 2.12 2.14 1js8A1 VAL 2622 HG13 0.07 -0.00 -0.16 -0.04 0.97 0.83 1js8A1 VAL 2622 HG23 0.05 0.01 0.04 -0.04 0.95 1.00 1js8A1 ALA 2623 H -0.19 0.06 -0.56 -0.55 8.40 7.17 1js8A1 ALA 2623 HA -0.04 0.17 0.73 -0.75 4.34 4.44 1js8A1 ALA 2623 HB3 -0.27 -0.02 -0.03 -0.04 1.41 1.06 1js8A1 ASN 2624 H -0.21 0.50 -0.05 -0.55 8.53 8.22 1js8A1 ASN 2624 HA -0.10 -0.02 0.37 -0.75 4.76 4.25 1js8A1 ASN 2624 HB2 -0.06 0.05 -0.53 -0.04 2.88 2.31 1js8A1 ASN 2624 HB3 -0.03 -0.07 0.24 -0.04 2.79 2.90 1js8A1 ASN 2624 HD21 0.01 -0.07 -0.02 -0.04 7.03 6.91 1js8A1 ASN 2624 HD22 -0.01 0.03 -0.12 -0.04 7.74 7.60 1js8A1 THR 2625 H -0.55 0.25 -0.06 -0.55 8.28 7.37 1js8A1 THR 2625 HA -0.14 0.14 0.74 -0.75 4.39 4.37 1js8A1 THR 2625 HB -0.40 0.04 0.13 -0.04 4.32 4.05 1js8A1 THR 2625 HG23 -0.23 0.03 -0.10 -0.04 1.22 0.87 1js8A1 ASP 2626 H -0.12 0.15 0.17 -0.55 8.40 8.05 1js8A1 ASP 2626 HA -0.01 0.17 1.04 -0.75 4.63 5.07 1js8A1 ASP 2626 HB2 -0.04 -0.01 0.08 -0.04 2.71 2.70 1js8A1 ASP 2626 HB3 0.11 0.06 0.14 -0.04 2.70 2.96 1js8A1 THR 2627 H 0.08 0.36 0.29 -0.55 8.28 8.47 1js8A1 THR 2627 HA 0.04 0.14 0.51 -0.75 4.39 4.34 1js8A1 THR 2627 HB 0.14 0.03 0.08 -0.04 4.32 4.53 1js8A1 THR 2627 HG23 0.18 0.03 -0.24 -0.04 1.22 1.15 1js8A1 THR 2628 H 0.12 0.37 -0.02 -0.55 8.28 8.20 1js8A1 THR 2628 HA 0.04 0.24 0.89 -0.75 4.39 4.80 1js8A1 THR 2628 HB 0.06 0.09 -0.01 -0.04 4.32 4.42 1js8A1 THR 2628 HG23 0.09 0.05 -0.15 -0.04 1.22 1.17 1js8A1 ARG 2629 H 0.04 0.37 0.24 -0.55 8.46 8.55 1js8A1 ARG 2629 HA 0.06 0.04 0.69 -0.75 4.34 4.38 1js8A1 ARG 2629 HB2 0.01 0.03 0.04 -0.04 1.90 1.94 1js8A1 ARG 2629 HB3 0.05 0.02 0.04 -0.04 1.80 1.87 1js8A1 ARG 2629 HG2 0.04 -0.08 -0.07 -0.04 1.67 1.53 1js8A1 ARG 2629 HG3 0.02 -0.01 -0.38 -0.04 1.67 1.26 1js8A1 ARG 2629 HD2 -0.06 0.09 -0.03 -0.04 3.22 3.17 1js8A1 ARG 2629 HD3 -0.01 -0.06 -0.04 -0.04 3.22 3.07 1js8A1 SER 2630 H 0.07 0.59 0.02 -0.55 8.46 8.60 1js8A1 SER 2630 HA 0.06 0.06 0.50 -0.75 4.49 4.36 1js8A1 SER 2630 HB2 0.04 0.03 -0.15 -0.04 3.95 3.83 1js8A1 SER 2630 HB3 0.05 -0.03 0.07 -0.04 3.93 3.98 1js8A1 PRO 2631 HA 0.13 0.33 0.61 -0.51 4.44 5.00 1js8A1 PRO 2631 HB2 0.31 -0.03 0.03 -0.04 2.28 2.54 1js8A1 PRO 2631 HB3 0.30 0.02 0.09 -0.04 2.02 2.39 1js8A1 PRO 2631 HG2 0.21 -0.01 0.06 -0.04 2.03 2.25 1js8A1 PRO 2631 HG3 0.16 0.00 0.15 -0.04 2.03 2.30 1js8A1 PRO 2631 HD2 0.11 0.09 0.08 -0.04 3.68 3.92 1js8A1 PRO 2631 HD3 0.09 0.02 -0.01 -0.04 3.65 3.70 1js8A1 ARG 2632 H 0.09 0.64 0.40 -0.55 8.46 9.04 1js8A1 ARG 2632 HA -0.01 0.14 0.78 -0.75 4.34 4.50 1js8A1 ARG 2632 HB2 -0.17 -0.09 0.15 -0.04 1.90 1.74 1js8A1 ARG 2632 HB3 -0.21 -0.07 0.12 -0.04 1.80 1.60 1js8A1 ARG 2632 HG2 0.03 0.10 0.02 -0.04 1.67 1.78 1js8A1 ARG 2632 HG3 0.14 0.05 0.09 -0.04 1.67 1.91 1js8A1 ARG 2632 HD2 0.27 0.01 -0.11 -0.04 3.22 3.34 1js8A1 ARG 2632 HD3 -0.09 -0.07 -0.02 -0.04 3.22 3.00 1js8A1 ALA 2633 H -0.08 0.18 0.16 -0.55 8.40 8.11 1js8A1 ALA 2633 HA 0.10 0.10 0.36 -0.75 4.34 4.15 1js8A1 ALA 2633 HB3 -0.07 0.02 0.10 -0.04 1.41 1.43 1js8A1 GLN 2634 H -0.46 0.03 -0.32 -0.55 8.47 7.19 1js8A1 GLN 2634 HA -0.45 0.09 0.24 -0.75 4.36 3.49 1js8A1 GLN 2634 HB2 -2.05 -0.01 -0.15 -0.04 2.15 -0.10 1js8A1 GLN 2634 HB3 -1.65 0.01 -0.04 -0.04 2.02 0.31 1js8A1 GLN 2634 HG2 -1.17 0.01 -0.05 -0.04 2.40 1.16 1js8A1 GLN 2634 HG3 -0.67 0.01 -0.01 -0.04 2.39 1.67 1js8A1 GLN 2634 HE21 -0.44 0.03 -0.05 -0.04 6.97 6.47 1js8A1 GLN 2634 HE22 -0.88 0.01 -0.07 -0.04 7.69 6.71 1js8A1 LEU 2635 H -0.26 0.40 -0.42 -0.55 8.37 7.54 1js8A1 LEU 2635 HA 0.38 -0.01 0.47 -0.75 4.35 4.44 1js8A1 LEU 2635 HB2 0.05 -0.04 0.06 -0.04 1.64 1.67 1js8A1 LEU 2635 HB3 -0.76 0.11 0.03 -0.04 1.64 0.99 1js8A1 LEU 2635 HG -0.12 -0.01 -0.17 -0.04 1.64 1.30 1js8A1 LEU 2635 HD13 0.28 -0.03 -0.05 -0.04 0.93 1.09 1js8A1 LEU 2635 HD23 -0.07 0.01 -0.09 -0.04 0.89 0.70 1js8A1 PHE 2636 H -0.15 0.39 -0.29 -0.55 8.34 7.73 1js8A1 PHE 2636 HA -0.21 0.28 0.65 -0.75 4.62 4.59 1js8A1 PHE 2636 HB2 0.00 0.03 0.07 -0.04 3.15 3.21 1js8A1 PHE 2636 HB3 0.00 0.00 0.07 -0.04 3.06 3.10 1js8A1 PHE 2636 HD2 0.14 0.09 -0.25 -0.04 7.28 7.22 1js8A1 PHE 2636 HE2 0.34 -0.06 -0.27 -0.04 7.38 7.35 1js8A1 PHE 2636 HZ 0.19 -0.06 -0.08 -0.04 7.32 7.33 1js8A1 SER 2645 HA 0.18 0.02 0.51 -0.75 4.49 4.45 1js8A1 SER 2645 HB2 0.30 -0.00 -0.01 -0.04 3.95 4.19 1js8A1 SER 2645 HB3 0.22 0.01 0.17 -0.04 3.93 4.28 1js8A1 PHE 2646 H 0.30 0.20 -0.05 -0.55 8.34 8.24 1js8A1 PHE 2646 HA 0.06 0.08 0.37 -0.75 4.62 4.38 1js8A1 PHE 2646 HB2 0.00 0.05 0.11 -0.04 3.15 3.27 1js8A1 PHE 2646 HB3 -0.19 0.03 0.10 -0.04 3.06 2.96 1js8A1 PHE 2646 HD2 -0.56 -0.00 -0.06 -0.04 7.28 6.62 1js8A1 PHE 2646 HE2 -0.01 -0.04 0.02 -0.04 7.38 7.30 1js8A1 PHE 2646 HZ 0.24 0.33 0.10 -0.04 7.32 7.94 1js8A1 PHE 2647 H 0.40 0.17 -0.12 -0.55 8.34 8.24 1js8A1 PHE 2647 HA 0.11 0.06 0.39 -0.75 4.62 4.42 1js8A1 PHE 2647 HB2 0.43 0.12 0.05 -0.04 3.15 3.71 1js8A1 PHE 2647 HB3 0.64 -0.05 -0.07 -0.04 3.06 3.53 1js8A1 PHE 2647 HD2 0.17 0.01 -0.01 -0.04 7.28 7.40 1js8A1 PHE 2647 HE2 -0.08 0.07 -0.05 -0.04 7.38 7.27 1js8A1 PHE 2647 HZ 0.20 0.01 -0.14 -0.04 7.32 7.35 1js8A1 TYR 2648 H 0.44 0.19 -0.30 -0.55 8.29 8.07 1js8A1 TYR 2648 HA 0.20 -0.04 0.45 -0.75 4.56 4.41 1js8A1 TYR 2648 HB2 0.07 0.17 0.17 -0.04 3.06 3.43 1js8A1 TYR 2648 HB3 0.09 0.28 0.15 -0.04 2.98 3.46 1js8A1 TYR 2648 HD2 -0.48 0.01 -0.07 -0.04 7.15 6.57 1js8A1 TYR 2648 HE2 -0.01 -0.00 -0.07 -0.04 6.85 6.72 1js8A1 ARG 2649 H 0.10 0.47 -0.20 -0.55 8.46 8.28 1js8A1 ARG 2649 HA -0.12 0.02 0.41 -0.75 4.34 3.90 1js8A1 ARG 2649 HB2 -0.07 0.18 0.21 -0.04 1.90 2.18 1js8A1 ARG 2649 HB3 -0.13 -0.04 -0.03 -0.04 1.80 1.56 1js8A1 ARG 2649 HG2 0.06 -0.04 0.05 -0.04 1.67 1.69 1js8A1 ARG 2649 HG3 0.17 0.07 0.04 -0.04 1.67 1.91 1js8A1 ARG 2649 HD2 0.02 -0.02 0.02 -0.04 3.22 3.20 1js8A1 ARG 2649 HD3 0.07 -0.04 0.01 -0.04 3.22 3.22 1js8A1 GLN 2650 H -0.22 0.44 -0.01 -0.55 8.47 8.13 1js8A1 GLN 2650 HA -0.21 0.05 0.57 -0.75 4.36 4.01 1js8A1 GLN 2650 HB2 -0.08 0.04 0.16 -0.04 2.15 2.24 1js8A1 GLN 2650 HB3 -0.09 -0.01 0.10 -0.04 2.02 1.98 1js8A1 GLN 2650 HG2 -0.97 0.21 0.11 -0.04 2.40 1.71 1js8A1 GLN 2650 HG3 -0.66 -0.03 0.04 -0.04 2.39 1.70 1js8A1 GLN 2650 HE21 -0.95 -0.04 0.05 -0.04 6.97 5.99 1js8A1 GLN 2650 HE22 -0.75 0.02 0.04 -0.04 7.69 6.97 1js8A1 ILE 2651 H 0.01 0.53 -0.21 -0.55 8.25 8.03 1js8A1 ILE 2651 HA 0.06 0.06 0.57 -0.75 4.18 4.11 1js8A1 ILE 2651 HB 0.15 0.11 0.13 -0.04 1.89 2.24 1js8A1 ILE 2651 HG12 0.37 0.14 0.03 -0.04 1.49 2.00 1js8A1 ILE 2651 HG13 0.32 -0.09 -0.05 -0.04 1.21 1.35 1js8A1 ILE 2651 HG23 0.02 -0.03 -0.05 -0.04 0.93 0.83 1js8A1 ILE 2651 HD13 0.34 -0.00 -0.05 -0.04 0.88 1.12 1js8A1 ALA 2652 H -0.25 0.67 0.02 -0.55 8.40 8.29 1js8A1 ALA 2652 HA -0.20 -0.00 0.39 -0.75 4.34 3.78 1js8A1 ALA 2652 HB3 -0.32 0.03 0.10 -0.04 1.41 1.17 1js8A1 LEU 2653 H -0.10 0.36 -0.43 -0.55 8.37 7.66 1js8A1 LEU 2653 HA -0.02 0.07 0.38 -0.75 4.35 4.02 1js8A1 LEU 2653 HB2 -0.04 0.01 0.10 -0.04 1.64 1.67 1js8A1 LEU 2653 HB3 -0.09 0.13 0.11 -0.04 1.64 1.75 1js8A1 LEU 2653 HG -0.10 -0.02 -0.12 -0.04 1.64 1.36 1js8A1 LEU 2653 HD13 0.01 -0.01 0.01 -0.04 0.93 0.89 1js8A1 LEU 2653 HD23 -0.06 -0.02 -0.04 -0.04 0.89 0.73 1js8A1 ALA 2654 H -0.03 0.25 -0.39 -0.55 8.40 7.68 1js8A1 ALA 2654 HA -0.03 0.01 0.50 -0.75 4.34 4.07 1js8A1 ALA 2654 HB3 -0.02 0.04 0.04 -0.04 1.41 1.44 1js8A1 LEU 2655 H 0.03 0.58 -0.02 -0.55 8.37 8.42 1js8A1 LEU 2655 HA 0.37 0.01 0.37 -0.75 4.35 4.34 1js8A1 LEU 2655 HB2 -0.07 0.07 0.07 -0.04 1.64 1.67 1js8A1 LEU 2655 HB3 -0.00 -0.03 -0.02 -0.04 1.64 1.54 1js8A1 LEU 2655 HG -0.15 0.20 -0.00 -0.04 1.64 1.65 1js8A1 LEU 2655 HD13 -0.80 -0.03 -0.08 -0.04 0.93 -0.03 1js8A1 LEU 2655 HD23 0.05 -0.03 -0.04 -0.04 0.89 0.83 1js8A1 GLU 2656 H 0.05 0.32 -0.44 -0.55 8.60 7.99 1js8A1 GLU 2656 HA 0.06 0.00 0.42 -0.75 4.29 4.03 1js8A1 GLU 2656 HB2 0.01 0.03 0.09 -0.04 2.09 2.19 1js8A1 GLU 2656 HB3 0.03 0.13 0.07 -0.04 1.99 2.18 1js8A1 GLU 2656 HG2 0.04 -0.05 -0.16 -0.04 2.34 2.14 1js8A1 GLU 2656 HG3 0.02 0.02 -0.01 -0.04 2.34 2.33 1js8A1 GLN 2657 H 0.15 0.29 -0.39 -0.55 8.47 7.98 1js8A1 GLN 2657 HA 0.12 -0.05 0.30 -0.75 4.36 3.97 1js8A1 GLN 2657 HB2 0.19 0.09 0.04 -0.04 2.15 2.43 1js8A1 GLN 2657 HB3 0.11 -0.27 0.04 -0.04 2.02 1.86 1js8A1 GLN 2657 HG2 0.04 0.28 0.19 -0.04 2.40 2.87 1js8A1 GLN 2657 HG3 -0.03 -0.03 -0.23 -0.04 2.39 2.07 1js8A1 GLN 2657 HE21 -0.09 -0.10 -0.03 -0.04 6.97 6.71 1js8A1 GLN 2657 HE22 -0.04 0.65 0.12 -0.04 7.69 8.38 1js8A1 THR 2658 H 0.17 0.02 0.18 -0.55 8.28 8.09 1js8A1 THR 2658 HA 0.25 0.31 0.86 -0.75 4.39 5.06 1js8A1 THR 2658 HB 0.06 -0.02 0.19 -0.04 4.32 4.51 1js8A1 THR 2658 HG23 0.05 0.06 -0.08 -0.04 1.22 1.21 1js8A1 ASP 2659 H 0.31 0.15 0.03 -0.55 8.40 8.34 1js8A1 ASP 2659 HA 0.30 0.21 0.86 -0.75 4.63 5.24 1js8A1 ASP 2659 HB2 0.12 0.16 -0.04 -0.04 2.71 2.92 1js8A1 ASP 2659 HB3 0.11 -0.03 0.11 -0.04 2.70 2.86 1js8A1 PHE 2660 H 0.49 0.20 0.15 -0.55 8.34 8.62 1js8A1 PHE 2660 HA -0.18 0.20 0.41 -0.75 4.62 4.30 1js8A1 PHE 2660 HB2 0.37 0.18 0.11 -0.04 3.15 3.77 1js8A1 PHE 2660 HB3 0.19 -0.18 0.12 -0.04 3.06 3.15 1js8A1 PHE 2660 HD2 0.11 -0.01 -0.06 -0.04 7.28 7.27 1js8A1 PHE 2660 HE2 -0.17 0.04 -0.05 -0.04 7.38 7.15 1js8A1 PHE 2660 HZ -0.38 0.00 0.02 -0.04 7.32 6.92 1js8A1 CYS 2661 H 0.14 0.07 -0.05 -0.55 8.50 8.11 1js8A1 CYS 2661 HA -0.29 0.09 0.44 -0.75 4.58 4.06 1js8A1 CYS 2661 HB2 0.03 0.02 0.03 -0.04 2.97 3.01 1js8A1 CYS 2661 HB3 -0.01 0.04 0.00 -0.04 2.97 2.96 1js8A1 ASP 2662 H -0.01 0.06 -0.35 -0.55 8.40 7.55 1js8A1 ASP 2662 HA -0.13 0.10 0.50 -0.75 4.63 4.35 1js8A1 ASP 2662 HB2 0.02 -0.02 0.11 -0.04 2.71 2.77 1js8A1 ASP 2662 HB3 -0.05 0.10 0.03 -0.04 2.70 2.73 1js8A1 PHE 2663 H -0.10 0.42 -0.13 -0.55 8.34 7.98 1js8A1 PHE 2663 HA -0.31 0.14 0.51 -0.75 4.62 4.21 1js8A1 PHE 2663 HB2 -0.83 0.16 0.05 -0.04 3.15 2.50 1js8A1 PHE 2663 HB3 -1.03 0.02 0.20 -0.04 3.06 2.22 1js8A1 PHE 2663 HD2 -0.84 0.09 -0.12 -0.04 7.28 6.36 1js8A1 PHE 2663 HE2 -0.73 -0.02 -0.10 -0.04 7.38 6.49 1js8A1 PHE 2663 HZ -1.38 -0.04 -0.16 -0.04 7.32 5.70 1js8A1 GLU 2664 H -0.59 0.79 0.03 -0.55 8.60 8.29 1js8A1 GLU 2664 HA -0.86 -0.01 0.23 -0.75 4.29 2.89 1js8A1 GLU 2664 HB2 -1.13 0.12 0.10 -0.04 2.09 1.14 1js8A1 GLU 2664 HB3 -0.48 -0.03 0.10 -0.04 1.99 1.54 1js8A1 GLU 2664 HG2 -0.32 -0.01 0.03 -0.04 2.34 2.00 1js8A1 GLU 2664 HG3 -0.39 0.09 0.06 -0.04 2.34 2.07 1js8A1 ILE 2665 H -0.37 0.39 -0.25 -0.55 8.25 7.47 1js8A1 ILE 2665 HA -0.51 -0.05 0.34 -0.75 4.18 3.20 1js8A1 ILE 2665 HB -0.62 -0.06 0.05 -0.04 1.89 1.22 1js8A1 ILE 2665 HG12 -0.32 0.01 -0.15 -0.04 1.49 1.00 1js8A1 ILE 2665 HG13 -1.45 -0.09 0.03 -0.04 1.21 -0.34 1js8A1 ILE 2665 HG23 -0.25 0.07 0.05 -0.04 0.93 0.76 1js8A1 ILE 2665 HD13 -0.71 0.01 -0.21 -0.04 0.88 -0.08 1js8A1 GLN 2666 H -0.27 0.45 -0.07 -0.55 8.47 8.03 1js8A1 GLN 2666 HA 0.09 0.01 0.42 -0.75 4.36 4.13 1js8A1 GLN 2666 HB2 -0.16 0.06 0.17 -0.04 2.15 2.18 1js8A1 GLN 2666 HB3 -0.06 0.04 0.04 -0.04 2.02 1.99 1js8A1 GLN 2666 HG2 -0.16 0.22 0.18 -0.04 2.40 2.59 1js8A1 GLN 2666 HG3 -0.12 0.07 -0.04 -0.04 2.39 2.26 1js8A1 GLN 2666 HE21 -0.60 0.25 0.16 -0.04 6.97 6.74 1js8A1 GLN 2666 HE22 -0.13 0.01 0.08 -0.04 7.69 7.61 1js8A1 PHE 2667 H -0.36 0.59 -0.08 -0.55 8.34 7.93 1js8A1 PHE 2667 HA -0.23 0.01 0.47 -0.75 4.62 4.13 1js8A1 PHE 2667 HB2 -1.40 0.02 -0.01 -0.04 3.15 1.72 1js8A1 PHE 2667 HB3 -1.06 0.15 0.09 -0.04 3.06 2.20 1js8A1 PHE 2667 HD2 -0.30 -0.00 -0.02 -0.04 7.28 6.92 1js8A1 PHE 2667 HE2 0.02 -0.02 -0.02 -0.04 7.38 7.31 1js8A1 PHE 2667 HZ 0.17 0.08 -0.12 -0.04 7.32 7.41 1js8A1 GLU 2668 H -0.42 0.84 0.06 -0.55 8.60 8.54 1js8A1 GLU 2668 HA -1.07 0.01 0.35 -0.75 4.29 2.83 1js8A1 GLU 2668 HB2 -0.94 -0.00 0.07 -0.04 2.09 1.18 1js8A1 GLU 2668 HB3 -0.47 0.07 0.12 -0.04 1.99 1.67 1js8A1 GLU 2668 HG2 -0.57 0.04 -0.29 -0.04 2.34 1.48 1js8A1 GLU 2668 HG3 -1.56 0.00 0.01 -0.04 2.34 0.75 1js8A1 ILE 2669 H -0.35 0.58 -0.07 -0.55 8.25 7.86 1js8A1 ILE 2669 HA -0.29 0.04 0.53 -0.75 4.18 3.71 1js8A1 ILE 2669 HB -0.51 0.10 0.12 -0.04 1.89 1.56 1js8A1 ILE 2669 HG12 -0.46 0.13 0.15 -0.04 1.49 1.26 1js8A1 ILE 2669 HG13 -1.01 -0.04 0.03 -0.04 1.21 0.14 1js8A1 ILE 2669 HG23 -0.79 0.03 0.02 -0.04 0.93 0.14 1js8A1 ILE 2669 HD13 -0.25 -0.02 0.02 -0.04 0.88 0.59 1js8A1 GLY 2670 H -0.13 0.48 -0.31 -0.55 8.43 7.92 1js8A1 GLY 2670 HA2 -0.02 -0.01 0.47 -0.51 4.01 3.94 1js8A1 GLY 2670 HA3 0.05 0.10 0.32 -0.51 4.01 3.98 1js8A1 HIS 2671 H -0.06 0.65 -0.05 -0.55 8.41 8.40 1js8A1 HIS 2671 HA -0.26 -0.03 0.40 -0.75 4.63 3.98 1js8A1 HIS 2671 HB2 -0.11 -0.07 0.07 -0.04 3.26 3.11 1js8A1 HIS 2671 HB3 -0.40 0.20 0.14 -0.04 3.20 3.09 1js8A1 HIS 2671 HD2 -0.56 -0.03 -0.09 -0.04 6.97 6.24 1js8A1 HIS 2671 HE1 -0.22 -0.06 -0.06 -0.04 7.75 7.37 1js8A1 ASN 2672 H -0.06 0.50 -0.31 -0.55 8.53 8.12 1js8A1 ASN 2672 HA -0.46 -0.01 0.35 -0.75 4.76 3.89 1js8A1 ASN 2672 HB2 -0.20 0.31 0.12 -0.04 2.88 3.07 1js8A1 ASN 2672 HB3 -0.21 -0.15 -0.22 -0.04 2.79 2.16 1js8A1 ASN 2672 HD21 -0.26 -0.11 0.04 -0.04 7.03 6.66 1js8A1 ASN 2672 HD22 -0.17 0.44 0.18 -0.04 7.74 8.14 1js8A1 ALA 2673 H -0.29 0.53 -0.41 -0.55 8.40 7.67 1js8A1 ALA 2673 HA -0.72 -0.03 0.31 -0.75 4.34 3.15 1js8A1 ALA 2673 HB3 -0.53 0.04 0.06 -0.04 1.41 0.94 1js8A1 ILE 2674 H -0.61 0.39 -0.23 -0.55 8.25 7.25 1js8A1 ILE 2674 HA -0.49 0.06 0.43 -0.75 4.18 3.42 1js8A1 ILE 2674 HB -1.42 0.16 0.13 -0.04 1.89 0.72 1js8A1 ILE 2674 HG12 -1.44 0.03 0.04 -0.04 1.49 0.07 1js8A1 ILE 2674 HG13 -3.06 -0.02 0.03 -0.04 1.21 -1.88 1js8A1 ILE 2674 HG23 -0.92 -0.02 -0.08 -0.04 0.93 -0.13 1js8A1 ILE 2674 HD13 -1.42 0.00 -0.03 -0.04 0.88 -0.60 1js8A1 HIS 2675 H -0.32 0.30 -0.21 -0.55 8.41 7.63 1js8A1 HIS 2675 HA -0.14 -0.04 0.24 -0.75 4.63 3.94 1js8A1 HIS 2675 HB2 -0.26 0.20 0.15 -0.04 3.26 3.31 1js8A1 HIS 2675 HB3 -0.08 0.11 -0.08 -0.04 3.20 3.11 1js8A1 HIS 2675 HD2 -0.64 0.12 -0.10 -0.04 6.97 6.30 1js8A1 HIS 2675 HE1 0.52 -0.03 -0.08 -0.04 7.75 8.12 1js8A1 SER 2676 H -0.20 0.47 -0.20 -0.55 8.46 7.98 1js8A1 SER 2676 HA 0.01 0.07 0.53 -0.75 4.49 4.35 1js8A1 SER 2676 HB2 -0.12 0.01 -0.01 -0.04 3.95 3.79 1js8A1 SER 2676 HB3 -0.41 0.04 0.06 -0.04 3.93 3.57 1js8A1 TRP 2677 H -0.19 0.60 -0.11 -0.55 7.97 7.72 1js8A1 TRP 2677 HA -0.02 0.07 0.45 -0.75 4.62 4.37 1js8A1 TRP 2677 HB2 -0.00 0.14 0.04 -0.04 3.23 3.37 1js8A1 TRP 2677 HB3 -0.05 -0.11 0.08 -0.04 3.23 3.11 1js8A1 TRP 2677 HD1 -0.04 0.01 -0.33 -0.04 7.22 6.83 1js8A1 TRP 2677 HE1 -0.07 -0.00 -0.12 -0.04 10.20 9.97 1js8A1 TRP 2677 HE3 0.16 0.03 -0.24 -0.04 7.59 7.50 1js8A1 TRP 2677 HZ2 -0.18 -0.02 -0.13 -0.04 7.44 7.07 1js8A1 TRP 2677 HZ3 -0.67 0.02 -0.11 -0.04 7.13 6.34 1js8A1 TRP 2677 HH2 -1.10 -0.00 -0.08 -0.04 7.19 5.97 1js8A1 VAL 2678 H 0.06 0.39 -0.39 -0.55 8.24 7.74 1js8A1 VAL 2678 HA 0.11 0.08 0.77 -0.75 4.13 4.34 1js8A1 VAL 2678 HB -0.00 0.07 0.14 -0.04 2.12 2.29 1js8A1 VAL 2678 HG13 0.05 -0.03 -0.10 -0.04 0.97 0.85 1js8A1 VAL 2678 HG23 0.07 0.01 0.01 -0.04 0.95 1.00 1js8A1 GLY 2679 H 0.07 0.43 -0.06 -0.55 8.43 8.31 1js8A1 GLY 2679 HA2 0.08 -0.02 0.35 -0.51 4.01 3.90 1js8A1 GLY 2679 HA3 0.09 -0.19 0.29 -0.51 4.01 3.68 1js8A1 GLY 2680 H 0.11 0.56 -0.16 -0.55 8.43 8.39 1js8A1 GLY 2680 HA2 0.10 0.04 0.29 -0.51 4.01 3.94 1js8A1 GLY 2680 HA3 0.07 0.18 0.34 -0.51 4.01 4.09 1js8A1 SER 2681 H 0.03 0.14 0.18 -0.55 8.46 8.27 1js8A1 SER 2681 HA 0.01 0.13 0.57 -0.75 4.49 4.44 1js8A1 SER 2681 HB2 -0.01 -0.08 0.09 -0.04 3.95 3.91 1js8A1 SER 2681 HB3 0.00 0.25 0.13 -0.04 3.93 4.28 1js8A1 SER 2682 H 0.03 0.29 -0.18 -0.55 8.46 8.06 1js8A1 SER 2682 HA 0.01 0.06 0.35 -0.75 4.49 4.15 1js8A1 SER 2682 HB2 0.04 -0.04 -0.11 -0.04 3.95 3.80 1js8A1 SER 2682 HB3 0.04 0.10 -0.14 -0.04 3.93 3.89 1js8A1 PRO 2683 HA -0.17 0.11 0.38 -0.51 4.44 4.25 1js8A1 PRO 2683 HB2 -0.78 0.02 0.02 -0.04 2.28 1.50 1js8A1 PRO 2683 HB3 -0.21 0.04 0.12 -0.04 2.02 1.92 1js8A1 PRO 2683 HG2 0.01 0.02 0.03 -0.04 2.03 2.06 1js8A1 PRO 2683 HG3 -0.02 0.05 0.06 -0.04 2.03 2.08 1js8A1 PRO 2683 HD2 0.02 0.06 0.16 -0.04 3.68 3.87 1js8A1 PRO 2683 HD3 -0.03 0.18 0.20 -0.04 3.65 3.96 1js8A1 TYR 2684 H 0.03 0.10 -0.30 -0.55 8.29 7.56 1js8A1 TYR 2684 HA -0.04 0.17 0.83 -0.75 4.56 4.76 1js8A1 TYR 2684 HB2 -0.13 0.03 0.08 -0.04 3.06 3.00 1js8A1 TYR 2684 HB3 -0.30 -0.00 0.09 -0.04 2.98 2.73 1js8A1 TYR 2684 HD2 -0.99 -0.02 -0.08 -0.04 7.15 6.02 1js8A1 TYR 2684 HE2 -0.25 -0.01 -0.05 -0.04 6.85 6.49 1js8A1 GLY 2685 H 0.12 0.24 -0.25 -0.55 8.43 7.99 1js8A1 GLY 2685 HA2 0.16 0.27 1.03 -0.51 4.01 4.96 1js8A1 GLY 2685 HA3 0.11 0.14 0.34 -0.51 4.01 4.10 1js8A1 MET 2686 H 0.12 0.21 0.18 -0.55 8.47 8.43 1js8A1 MET 2686 HA 0.22 0.08 0.38 -0.75 4.52 4.45 1js8A1 MET 2686 HB2 0.07 -0.10 0.17 -0.04 2.15 2.25 1js8A1 MET 2686 HB3 0.04 -0.01 0.15 -0.04 2.03 2.17 1js8A1 MET 2686 HG2 0.13 0.01 0.09 -0.04 2.63 2.82 1js8A1 MET 2686 HG3 0.06 -0.00 0.01 -0.04 2.56 2.59 1js8A1 MET 2686 HE3 -0.16 -0.01 -0.15 -0.04 2.10 1.74 1js8A1 SER 2687 H 0.11 0.03 -0.36 -0.55 8.46 7.69 1js8A1 SER 2687 HA 0.07 0.11 0.50 -0.75 4.49 4.41 1js8A1 SER 2687 HB2 0.03 -0.08 0.12 -0.04 3.95 3.98 1js8A1 SER 2687 HB3 0.06 0.03 0.18 -0.04 3.93 4.16 1js8A1 THR 2688 H 0.13 0.39 -0.24 -0.55 8.28 8.01 1js8A1 THR 2688 HA -0.02 0.22 1.00 -0.75 4.39 4.83 1js8A1 THR 2688 HB 0.03 -0.13 0.11 -0.04 4.32 4.29 1js8A1 THR 2688 HG23 0.06 0.06 -0.12 -0.04 1.22 1.17 1js8A1 LEU 2689 H -0.11 0.38 0.09 -0.55 8.37 8.18 1js8A1 LEU 2689 HA 0.09 0.11 0.34 -0.75 4.35 4.15 1js8A1 LEU 2689 HB2 -0.16 -0.05 -0.30 -0.04 1.64 1.09 1js8A1 LEU 2689 HB3 -0.15 -0.04 -0.25 -0.04 1.64 1.16 1js8A1 LEU 2689 HG -0.05 0.04 -0.26 -0.04 1.64 1.33 1js8A1 LEU 2689 HD13 -0.50 0.02 -0.18 -0.04 0.93 0.23 1js8A1 LEU 2689 HD23 -0.02 -0.00 -0.21 -0.04 0.89 0.62 1js8A1 HIS 2690 H -0.07 0.05 -0.18 -0.55 8.41 7.66 1js8A1 HIS 2690 HA -0.11 0.02 0.38 -0.75 4.63 4.18 1js8A1 HIS 2690 HB2 -0.39 0.01 0.09 -0.04 3.26 2.92 1js8A1 HIS 2690 HB3 -0.79 0.06 0.01 -0.04 3.20 2.43 1js8A1 HIS 2690 HD2 -0.05 -0.02 -0.23 -0.04 6.97 6.62 1js8A1 HIS 2690 HE1 0.04 -0.03 0.02 -0.04 7.75 7.73 1js8A1 TYR 2691 H 0.15 0.08 -0.29 -0.55 8.29 7.68 1js8A1 TYR 2691 HA 0.41 0.31 0.95 -0.75 4.56 5.47 1js8A1 TYR 2691 HB2 0.20 0.03 -0.15 -0.04 3.06 3.11 1js8A1 TYR 2691 HB3 0.27 0.05 -0.00 -0.04 2.98 3.25 1js8A1 TYR 2691 HD2 0.11 0.06 -0.03 -0.04 7.15 7.24 1js8A1 TYR 2691 HE2 0.08 0.01 -0.06 -0.04 6.85 6.83 1js8A1 THR 2692 H 0.15 0.32 -0.22 -0.55 8.28 7.99 1js8A1 THR 2692 HA 0.19 0.04 0.04 -0.75 4.39 3.91 1js8A1 THR 2692 HB 0.06 -0.01 -0.33 -0.04 4.32 4.00 1js8A1 THR 2692 HG23 0.56 -0.05 0.07 -0.04 1.22 1.76 1js8A1 SER 2693 H -0.53 0.16 -0.23 -0.55 8.46 7.31 1js8A1 SER 2693 HA -1.96 0.04 0.43 -0.75 4.49 2.25 1js8A1 SER 2693 HB2 -0.67 -0.00 0.09 -0.04 3.95 3.32 1js8A1 SER 2693 HB3 -1.07 -0.05 0.05 -0.04 3.93 2.82 1js8A1 TYR 2694 H 0.05 0.36 -0.65 -0.55 8.29 7.50 1js8A1 TYR 2694 HA 0.16 0.12 0.58 -0.75 4.56 4.67 1js8A1 TYR 2694 HB2 0.15 0.16 -0.01 -0.04 3.06 3.33 1js8A1 TYR 2694 HB3 0.18 -0.05 -0.11 -0.04 2.98 2.96 1js8A1 TYR 2694 HD2 0.24 0.04 0.00 -0.04 7.15 7.39 1js8A1 TYR 2694 HE2 0.12 0.06 0.04 -0.04 6.85 7.04 1js8A1 ASP 2695 H 0.16 0.35 -0.06 -0.55 8.40 8.31 1js8A1 ASP 2695 HA 0.20 0.14 0.59 -0.75 4.63 4.81 1js8A1 ASP 2695 HB2 0.17 0.06 0.10 -0.04 2.71 2.99 1js8A1 ASP 2695 HB3 0.17 -0.03 0.16 -0.04 2.70 2.97 1js8A1 PRO 2696 HA 0.47 0.08 0.30 -0.51 4.44 4.77 1js8A1 PRO 2696 HB2 0.18 0.15 0.04 -0.04 2.28 2.61 1js8A1 PRO 2696 HB3 -0.24 -0.02 0.08 -0.04 2.02 1.80 1js8A1 PRO 2696 HG2 -0.07 0.17 0.02 -0.04 2.03 2.11 1js8A1 PRO 2696 HG3 -0.03 0.08 0.03 -0.04 2.03 2.07 1js8A1 PRO 2696 HD2 0.12 0.12 -0.05 -0.04 3.68 3.83 1js8A1 PRO 2696 HD3 0.16 0.25 0.12 -0.04 3.65 4.14 1js8A1 LEU 2697 H 0.19 0.18 -0.46 -0.55 8.37 7.73 1js8A1 LEU 2697 HA 0.21 0.02 0.41 -0.75 4.35 4.23 1js8A1 LEU 2697 HB2 0.05 0.13 0.04 -0.04 1.64 1.81 1js8A1 LEU 2697 HB3 0.10 0.03 -0.02 -0.04 1.64 1.71 1js8A1 LEU 2697 HG 0.10 -0.04 -0.11 -0.04 1.64 1.56 1js8A1 LEU 2697 HD13 -0.28 -0.02 0.03 -0.04 0.93 0.62 1js8A1 LEU 2697 HD23 -0.12 0.02 -0.04 -0.04 0.89 0.71 1js8A1 PHE 2698 H 0.28 0.67 -0.30 -0.55 8.34 8.44 1js8A1 PHE 2698 HA 0.08 -0.05 0.30 -0.75 4.62 4.20 1js8A1 PHE 2698 HB2 -0.05 0.13 0.09 -0.04 3.15 3.28 1js8A1 PHE 2698 HB3 -0.32 0.23 0.03 -0.04 3.06 2.95 1js8A1 PHE 2698 HD2 -0.83 0.01 -0.29 -0.04 7.28 6.14 1js8A1 PHE 2698 HE2 -0.13 0.01 -0.15 -0.04 7.38 7.07 1js8A1 PHE 2698 HZ 0.03 0.01 -0.10 -0.04 7.32 7.21 1js8A1 TYR 2699 H 0.33 0.44 -0.36 -0.55 8.29 8.14 1js8A1 TYR 2699 HA 0.23 0.05 0.46 -0.75 4.56 4.54 1js8A1 TYR 2699 HB2 0.27 0.14 0.07 -0.04 3.06 3.49 1js8A1 TYR 2699 HB3 0.20 -0.03 0.04 -0.04 2.98 3.15 1js8A1 TYR 2699 HD2 0.21 -0.00 -0.02 -0.04 7.15 7.30 1js8A1 TYR 2699 HE2 -0.02 0.09 -0.13 -0.04 6.85 6.75 1js8A1 LEU 2700 H 0.34 0.35 -0.16 -0.55 8.37 8.35 1js8A1 LEU 2700 HA 0.29 0.35 0.55 -0.75 4.35 4.79 1js8A1 LEU 2700 HB2 0.30 0.08 0.14 -0.04 1.64 2.12 1js8A1 LEU 2700 HB3 0.30 -0.16 0.03 -0.04 1.64 1.76 1js8A1 LEU 2700 HG 0.30 0.12 0.02 -0.04 1.64 2.03 1js8A1 LEU 2700 HD13 -0.03 -0.03 -0.08 -0.04 0.93 0.75 1js8A1 LEU 2700 HD23 0.19 0.01 -0.09 -0.04 0.89 0.97 1js8A1 HIS 2701 H 0.36 0.61 -0.08 -0.55 8.41 8.75 1js8A1 HIS 2701 HA 0.44 0.01 0.51 -0.75 4.63 4.84 1js8A1 HIS 2701 HB2 0.16 -0.01 0.06 -0.04 3.26 3.43 1js8A1 HIS 2701 HB3 -0.06 0.22 0.16 -0.04 3.20 3.47 1js8A1 HIS 2701 HD2 -0.78 0.04 -0.06 -0.04 6.97 6.12 1js8A1 HIS 2701 HE1 -0.56 -0.03 0.08 -0.04 7.75 7.19 1js8A1 HIS 2702 H 0.05 0.64 -0.08 -0.55 8.41 8.48 1js8A1 HIS 2702 HA -0.16 0.03 0.71 -0.75 4.63 4.45 1js8A1 HIS 2702 HB2 -0.40 0.19 0.11 -0.04 3.26 3.13 1js8A1 HIS 2702 HB3 -0.07 0.03 -0.00 -0.04 3.20 3.11 1js8A1 HIS 2702 HD2 -1.22 0.08 -0.03 -0.04 6.97 5.75 1js8A1 HIS 2702 HE1 -0.46 -0.01 -0.06 -0.04 7.75 7.17 1js8A1 SER 2703 H 0.21 0.37 -0.41 -0.55 8.46 8.08 1js8A1 SER 2703 HA 0.17 0.09 0.54 -0.75 4.49 4.54 1js8A1 SER 2703 HB2 0.20 0.13 0.02 -0.04 3.95 4.27 1js8A1 SER 2703 HB3 0.27 0.07 0.04 -0.04 3.93 4.27 1js8A1 ASN 2704 H 0.21 0.39 -0.22 -0.55 8.53 8.36 1js8A1 ASN 2704 HA -0.07 0.00 0.40 -0.75 4.76 4.33 1js8A1 ASN 2704 HB2 0.13 -0.08 0.06 -0.04 2.88 2.96 1js8A1 ASN 2704 HB3 0.08 0.17 0.22 -0.04 2.79 3.21 1js8A1 ASN 2704 HD21 -1.41 -0.16 0.03 -0.04 7.03 5.45 1js8A1 ASN 2704 HD22 -2.26 0.11 0.04 -0.04 7.74 5.59 1js8A1 THR 2705 H 0.06 0.59 -0.06 -0.55 8.28 8.32 1js8A1 THR 2705 HA 0.22 -0.01 0.41 -0.75 4.39 4.26 1js8A1 THR 2705 HB -0.14 0.10 0.14 -0.04 4.32 4.37 1js8A1 THR 2705 HG23 -0.13 -0.01 -0.08 -0.04 1.22 0.96 1js8A1 ASP 2706 H 0.16 0.45 -0.45 -0.55 8.40 8.02 1js8A1 ASP 2706 HA 0.41 0.01 0.29 -0.75 4.63 4.59 1js8A1 ASP 2706 HB2 0.23 0.17 0.14 -0.04 2.71 3.20 1js8A1 ASP 2706 HB3 0.24 0.08 0.04 -0.04 2.70 3.02 1js8A1 ARG 2707 H -0.08 0.37 -0.46 -0.55 8.46 7.74 1js8A1 ARG 2707 HA -0.90 0.02 0.44 -0.75 4.34 3.15 1js8A1 ARG 2707 HB2 -0.81 0.09 0.09 -0.04 1.90 1.23 1js8A1 ARG 2707 HB3 -0.50 0.10 0.11 -0.04 1.80 1.47 1js8A1 ARG 2707 HG2 -0.58 -0.06 -0.12 -0.04 1.67 0.87 1js8A1 ARG 2707 HG3 -1.45 -0.01 0.02 -0.04 1.67 0.19 1js8A1 ARG 2707 HD2 -2.05 -0.04 -0.05 -0.04 3.22 1.04 1js8A1 ARG 2707 HD3 -0.82 -0.04 -0.08 -0.04 3.22 2.25 1js8A1 ILE 2708 H -0.01 0.56 -0.13 -0.55 8.25 8.12 1js8A1 ILE 2708 HA -0.01 -0.03 0.41 -0.75 4.18 3.79 1js8A1 ILE 2708 HB 0.43 0.15 0.15 -0.04 1.89 2.58 1js8A1 ILE 2708 HG12 0.03 -0.06 -0.00 -0.04 1.49 1.42 1js8A1 ILE 2708 HG13 -0.13 0.11 0.03 -0.04 1.21 1.17 1js8A1 ILE 2708 HG23 0.23 -0.01 -0.10 -0.04 0.93 1.01 1js8A1 ILE 2708 HD13 -0.27 -0.03 -0.06 -0.04 0.88 0.48 1js8A1 TRP 2709 H 0.31 0.50 -0.19 -0.55 7.97 8.05 1js8A1 TRP 2709 HA -0.16 0.01 0.41 -0.75 4.62 4.12 1js8A1 TRP 2709 HB2 -0.11 -0.02 0.07 -0.04 3.23 3.12 1js8A1 TRP 2709 HB3 0.04 0.17 0.12 -0.04 3.23 3.52 1js8A1 TRP 2709 HD1 0.05 -0.07 0.10 -0.04 7.22 7.27 1js8A1 TRP 2709 HE1 0.46 0.01 -0.02 -0.04 10.20 10.61 1js8A1 TRP 2709 HE3 0.13 0.03 -0.07 -0.04 7.59 7.63 1js8A1 TRP 2709 HZ2 -0.39 -0.02 -0.08 -0.04 7.44 6.92 1js8A1 TRP 2709 HZ3 0.01 0.10 -0.34 -0.04 7.13 6.87 1js8A1 TRP 2709 HH2 -0.33 0.03 -0.20 -0.04 7.19 6.64 1js8A1 SER 2710 H -0.09 0.50 -0.23 -0.55 8.46 8.10 1js8A1 SER 2710 HA -0.25 0.01 0.50 -0.75 4.49 3.99 1js8A1 SER 2710 HB2 -0.46 0.11 0.17 -0.04 3.95 3.73 1js8A1 SER 2710 HB3 -0.35 -0.10 0.03 -0.04 3.93 3.46 1js8A1 VAL 2711 H -0.11 0.61 -0.08 -0.55 8.24 8.11 1js8A1 VAL 2711 HA -0.07 -0.01 0.53 -0.75 4.13 3.82 1js8A1 VAL 2711 HB -0.06 0.14 0.17 -0.04 2.12 2.33 1js8A1 VAL 2711 HG13 -0.08 -0.01 -0.07 -0.04 0.97 0.76 1js8A1 VAL 2711 HG23 -0.05 0.04 -0.02 -0.04 0.95 0.88 1js8A1 TRP 2712 H 0.10 0.47 -0.22 -0.55 7.97 7.77 1js8A1 TRP 2712 HA -0.20 0.05 0.43 -0.75 4.62 4.15 1js8A1 TRP 2712 HB2 -0.53 0.02 0.11 -0.04 3.23 2.79 1js8A1 TRP 2712 HB3 -0.44 0.15 0.15 -0.04 3.23 3.06 1js8A1 TRP 2712 HD1 -0.24 -0.01 0.09 -0.04 7.22 7.02 1js8A1 TRP 2712 HE1 -0.06 0.54 -0.03 -0.04 10.20 10.61 1js8A1 TRP 2712 HE3 0.07 0.08 -0.13 -0.04 7.59 7.57 1js8A1 TRP 2712 HZ2 0.07 -0.12 -0.58 -0.04 7.44 6.77 1js8A1 TRP 2712 HZ3 0.37 0.02 -0.04 -0.04 7.13 7.45 1js8A1 TRP 2712 HH2 0.24 -0.16 -0.21 -0.04 7.19 7.02 1js8A1 GLN 2713 H 0.06 0.44 -0.10 -0.55 8.47 8.33 1js8A1 GLN 2713 HA -0.18 0.05 0.56 -0.75 4.36 4.04 1js8A1 GLN 2713 HB2 -0.03 0.09 0.19 -0.04 2.15 2.35 1js8A1 GLN 2713 HB3 0.04 -0.08 0.06 -0.04 2.02 2.00 1js8A1 GLN 2713 HG2 0.32 0.05 0.13 -0.04 2.40 2.86 1js8A1 GLN 2713 HG3 0.03 0.16 0.09 -0.04 2.39 2.63 1js8A1 GLN 2713 HE21 -0.04 0.27 0.08 -0.04 6.97 7.23 1js8A1 GLN 2713 HE22 0.22 0.33 0.08 -0.04 7.69 8.28 1js8A1 ALA 2714 H -0.13 0.46 -0.21 -0.55 8.40 7.98 1js8A1 ALA 2714 HA -0.25 0.02 0.55 -0.75 4.34 3.90 1js8A1 ALA 2714 HB3 -0.09 0.04 0.14 -0.04 1.41 1.46 1js8A1 LEU 2715 H -0.23 0.44 -0.13 -0.55 8.37 7.90 1js8A1 LEU 2715 HA -0.07 -0.02 0.51 -0.75 4.35 4.02 1js8A1 LEU 2715 HB2 -0.37 0.15 0.25 -0.04 1.64 1.63 1js8A1 LEU 2715 HB3 -0.22 0.05 -0.04 -0.04 1.64 1.40 1js8A1 LEU 2715 HG -0.10 -0.00 0.05 -0.04 1.64 1.55 1js8A1 LEU 2715 HD13 -0.05 0.02 -0.04 -0.04 0.93 0.82 1js8A1 LEU 2715 HD23 -0.02 -0.03 -0.00 -0.04 0.89 0.80 1js8A1 GLN 2716 H -0.56 0.59 -0.08 -0.55 8.47 7.86 1js8A1 GLN 2716 HA -0.31 0.03 0.40 -0.75 4.36 3.72 1js8A1 GLN 2716 HB2 -0.45 0.02 0.11 -0.04 2.15 1.80 1js8A1 GLN 2716 HB3 -0.27 0.09 -0.29 -0.04 2.02 1.51 1js8A1 GLN 2716 HG2 -1.66 0.17 0.10 -0.04 2.40 0.96 1js8A1 GLN 2716 HG3 -1.87 -0.06 -0.01 -0.04 2.39 0.42 1js8A1 GLN 2716 HE21 -0.04 0.14 0.02 -0.04 6.97 7.05 1js8A1 GLN 2716 HE22 -0.21 0.30 -0.07 -0.04 7.69 7.66 1js8A1 LYS 2717 H -0.35 0.38 -0.32 -0.55 8.42 7.57 1js8A1 LYS 2717 HA -0.13 0.05 0.46 -0.75 4.32 3.94 1js8A1 LYS 2717 HB2 -1.13 0.06 0.17 -0.04 1.87 0.94 1js8A1 LYS 2717 HB3 -0.35 0.12 0.20 -0.04 1.79 1.73 1js8A1 LYS 2717 HG2 -0.18 -0.01 -0.12 -0.04 1.46 1.11 1js8A1 LYS 2717 HG3 -0.21 -0.03 0.03 -0.04 1.46 1.21 1js8A1 LYS 2717 HD2 -0.82 -0.04 0.01 -0.04 1.69 0.80 1js8A1 LYS 2717 HD3 -0.51 0.01 0.02 -0.04 1.68 1.16 1js8A1 LYS 2717 HE2 -0.11 -0.03 -0.00 -0.04 2.99 2.81 1js8A1 LYS 2717 HE3 -0.13 -0.01 -0.01 -0.04 2.99 2.80 1js8A1 TYR 2718 H -0.04 0.53 -0.19 -0.55 8.29 8.04 1js8A1 TYR 2718 HA -0.09 -0.03 0.44 -0.75 4.56 4.12 1js8A1 TYR 2718 HB2 -0.11 -0.03 0.15 -0.04 3.06 3.03 1js8A1 TYR 2718 HB3 -0.13 0.21 0.22 -0.04 2.98 3.25 1js8A1 TYR 2718 HD2 -0.06 0.04 -0.00 -0.04 7.15 7.08 1js8A1 TYR 2718 HE2 -0.03 -0.02 0.01 -0.04 6.85 6.78 1js8A1 ARG 2719 H -0.10 0.36 -0.34 -0.55 8.46 7.83 1js8A1 ARG 2719 HA -0.25 0.03 0.50 -0.75 4.34 3.86 1js8A1 ARG 2719 HB2 -0.13 0.01 0.11 -0.04 1.90 1.85 1js8A1 ARG 2719 HB3 -0.09 -0.07 0.08 -0.04 1.80 1.68 1js8A1 ARG 2719 HG2 -0.05 -0.07 -0.01 -0.04 1.67 1.50 1js8A1 ARG 2719 HG3 -0.04 0.27 0.01 -0.04 1.67 1.87 1js8A1 ARG 2719 HD2 -0.19 -0.04 -0.19 -0.04 3.22 2.76 1js8A1 ARG 2719 HD3 -0.07 -0.05 -0.03 -0.04 3.22 3.03 1js8A1 GLY 2720 H -0.10 0.37 -0.43 -0.55 8.43 7.72 1js8A1 GLY 2720 HA2 -0.04 -0.01 0.30 -0.51 4.01 3.75 1js8A1 GLY 2720 HA3 -0.07 0.02 0.52 -0.51 4.01 3.96 1js8A1 LEU 2721 H -0.06 0.59 0.00 -0.55 8.37 8.36 1js8A1 LEU 2721 HA -0.02 0.13 0.80 -0.75 4.35 4.50 1js8A1 LEU 2721 HB2 -0.10 -0.02 0.06 -0.04 1.64 1.53 1js8A1 LEU 2721 HB3 -0.03 0.02 0.11 -0.04 1.64 1.70 1js8A1 LEU 2721 HG -0.05 0.10 -0.32 -0.04 1.64 1.32 1js8A1 LEU 2721 HD13 -0.03 0.01 0.04 -0.04 0.93 0.91 1js8A1 LEU 2721 HD23 -0.01 -0.00 -0.00 -0.04 0.89 0.83 1js8A1 PRO 2722 HA -0.13 -0.05 0.52 -0.51 4.44 4.27 1js8A1 PRO 2722 HB2 -0.07 0.09 -0.00 -0.04 2.28 2.26 1js8A1 PRO 2722 HB3 -0.09 0.00 0.09 -0.04 2.02 1.98 1js8A1 PRO 2722 HG2 0.03 0.00 0.17 -0.04 2.03 2.19 1js8A1 PRO 2722 HG3 -0.01 -0.02 0.10 -0.04 2.03 2.06 1js8A1 PRO 2722 HD2 -0.00 0.13 0.27 -0.04 3.68 4.03 1js8A1 PRO 2722 HD3 -0.03 0.15 0.17 -0.04 3.65 3.90 1js8A1 TYR 2723 H -0.43 -0.04 0.26 -0.55 8.29 7.53 1js8A1 TYR 2723 HA -0.08 0.21 0.86 -0.75 4.56 4.80 1js8A1 TYR 2723 HB2 -0.12 -0.06 0.22 -0.04 3.06 3.06 1js8A1 TYR 2723 HB3 -0.23 0.07 -0.03 -0.04 2.98 2.75 1js8A1 TYR 2723 HD2 -0.08 0.14 -0.13 -0.04 7.15 7.04 1js8A1 TYR 2723 HE2 -0.06 0.01 -0.02 -0.04 6.85 6.74 1js8A1 ASN 2724 H -0.58 -0.03 0.18 -0.55 8.53 7.55 1js8A1 ASN 2724 HA -0.07 0.27 0.93 -0.75 4.76 5.14 1js8A1 ASN 2724 HB2 -0.43 -0.03 0.08 -0.04 2.88 2.46 1js8A1 ASN 2724 HB3 -0.14 0.03 0.15 -0.04 2.79 2.79 1js8A1 ASN 2724 HD21 0.12 -0.02 -0.05 -0.04 7.03 7.04 1js8A1 ASN 2724 HD22 -0.07 0.02 -0.01 -0.04 7.74 7.64 1js8A1 THR 2725 H -0.40 0.18 -0.07 -0.55 8.28 7.44 1js8A1 THR 2725 HA -0.74 0.24 0.63 -0.75 4.39 3.76 1js8A1 THR 2725 HB -0.20 -0.01 0.04 -0.04 4.32 4.12 1js8A1 THR 2725 HG23 -0.20 0.01 -0.18 -0.04 1.22 0.81 1js8A1 ALA 2726 H -0.21 0.35 0.09 -0.55 8.40 8.08 1js8A1 ALA 2726 HA 0.03 0.09 0.72 -0.75 4.34 4.43 1js8A1 ALA 2726 HB3 0.12 0.01 -0.04 -0.04 1.41 1.45 1js8A1 ASN 2727 H 0.07 0.16 0.14 -0.55 8.53 8.35 1js8A1 ASN 2727 HA 0.04 0.17 0.59 -0.75 4.76 4.80 1js8A1 ASN 2727 HB2 0.05 -0.02 0.09 -0.04 2.88 2.96 1js8A1 ASN 2727 HB3 0.04 0.02 0.08 -0.04 2.79 2.88 1js8A1 ASN 2727 HD21 -0.00 0.05 0.01 -0.04 7.03 7.05 1js8A1 ASN 2727 HD22 0.02 0.01 0.03 -0.04 7.74 7.77 1js8A1 CYS 2728 H 0.15 -0.03 -0.14 -0.55 8.50 7.93 1js8A1 CYS 2728 HA 0.08 0.22 0.87 -0.75 4.58 4.99 1js8A1 CYS 2728 HB2 0.10 0.03 0.13 -0.04 2.97 3.19 1js8A1 CYS 2728 HB3 0.10 0.07 0.09 -0.04 2.97 3.20 1js8A1 GLU 2729 H 0.09 0.19 0.13 -0.55 8.60 8.47 1js8A1 GLU 2729 HA 0.09 0.06 0.34 -0.75 4.29 4.03 1js8A1 GLU 2729 HB2 0.11 -0.01 -0.01 -0.04 2.09 2.14 1js8A1 GLU 2729 HB3 0.16 0.07 -0.01 -0.04 1.99 2.17 1js8A1 GLU 2729 HG2 0.11 -0.07 0.16 -0.04 2.34 2.50 1js8A1 GLU 2729 HG3 0.09 0.00 0.15 -0.04 2.34 2.55 1js8A1 ILE 2730 H 0.08 0.14 -0.55 -0.55 8.25 7.37 1js8A1 ILE 2730 HA 0.10 0.15 0.14 -0.75 4.18 3.81 1js8A1 ILE 2730 HB 0.05 0.03 0.07 -0.04 1.89 2.01 1js8A1 ILE 2730 HG12 0.05 -0.09 -0.05 -0.04 1.49 1.37 1js8A1 ILE 2730 HG13 0.05 0.02 -0.30 -0.04 1.21 0.94 1js8A1 ILE 2730 HG23 0.05 0.06 -0.03 -0.04 0.93 0.97 1js8A1 ILE 2730 HD13 0.03 0.02 -0.03 -0.04 0.88 0.86 1js8A1 ASN 2731 H 0.08 -0.03 -0.71 -0.55 8.53 7.32 1js8A1 ASN 2731 HA 0.06 0.19 0.61 -0.75 4.76 4.87 1js8A1 ASN 2731 HB2 0.06 -0.03 0.03 -0.04 2.88 2.90 1js8A1 ASN 2731 HB3 0.07 -0.04 0.07 -0.04 2.79 2.85 1js8A1 ASN 2731 HD21 0.04 0.03 0.00 -0.04 7.03 7.06 1js8A1 ASN 2731 HD22 0.05 0.00 0.00 -0.04 7.74 7.75 1js8A1 LYS 2732 H 0.10 0.20 0.14 -0.55 8.42 8.30 1js8A1 LYS 2732 HA 0.09 0.11 0.45 -0.75 4.32 4.21 1js8A1 LYS 2732 HB2 0.12 0.03 0.12 -0.04 1.87 2.10 1js8A1 LYS 2732 HB3 0.11 -0.00 0.07 -0.04 1.79 1.92 1js8A1 LYS 2732 HG2 0.08 0.07 0.06 -0.04 1.46 1.64 1js8A1 LYS 2732 HG3 0.09 -0.05 0.12 -0.04 1.46 1.58 1js8A1 LYS 2732 HD2 0.09 -0.11 0.09 -0.04 1.69 1.71 1js8A1 LYS 2732 HD3 0.08 0.01 0.05 -0.04 1.68 1.78 1js8A1 LYS 2732 HE2 0.08 0.04 0.04 -0.04 2.99 3.11 1js8A1 LYS 2732 HE3 0.08 -0.02 0.07 -0.04 2.99 3.08 1js8A1 LEU 2733 H 0.13 0.23 -0.43 -0.55 8.37 7.76 1js8A1 LEU 2733 HA 0.16 0.05 0.42 -0.75 4.35 4.22 1js8A1 LEU 2733 HB2 0.16 0.12 -0.10 -0.04 1.64 1.79 1js8A1 LEU 2733 HB3 0.26 -0.02 -0.05 -0.04 1.64 1.79 1js8A1 LEU 2733 HG 0.22 0.01 -0.14 -0.04 1.64 1.69 1js8A1 LEU 2733 HD13 0.29 0.01 -0.10 -0.04 0.93 1.09 1js8A1 LEU 2733 HD23 0.30 -0.00 -0.20 -0.04 0.89 0.95 1js8A1 VAL 2734 H 0.10 0.39 -0.42 -0.55 8.24 7.75 1js8A1 VAL 2734 HA 0.09 0.10 1.06 -0.75 4.13 4.63 1js8A1 VAL 2734 HB 0.06 -0.02 0.14 -0.04 2.12 2.25 1js8A1 VAL 2734 HG13 0.07 -0.00 -0.06 -0.04 0.97 0.94 1js8A1 VAL 2734 HG23 0.06 0.06 0.00 -0.04 0.95 1.04 1js8A1 LYS 2735 H 0.09 0.17 -0.06 -0.55 8.42 8.07 1js8A1 LYS 2735 HA 0.07 0.13 0.70 -0.75 4.32 4.47 1js8A1 LYS 2735 HB2 0.10 0.04 0.14 -0.04 1.87 2.10 1js8A1 LYS 2735 HB3 0.09 0.06 0.11 -0.04 1.79 2.01 1js8A1 LYS 2735 HG2 0.07 0.01 0.04 -0.04 1.46 1.54 1js8A1 LYS 2735 HG3 0.07 -0.01 0.01 -0.04 1.46 1.49 1js8A1 LYS 2735 HD2 0.08 -0.06 -0.08 -0.04 1.69 1.58 1js8A1 LYS 2735 HD3 0.08 0.01 0.03 -0.04 1.68 1.76 1js8A1 LYS 2735 HE2 0.06 -0.06 -0.03 -0.04 2.99 2.91 1js8A1 LYS 2735 HE3 0.06 0.02 0.00 -0.04 2.99 3.03 1js8A1 PRO 2736 HA 0.10 0.26 0.62 -0.51 4.44 4.91 1js8A1 PRO 2736 HB2 0.09 -0.02 -0.08 -0.04 2.28 2.23 1js8A1 PRO 2736 HB3 0.07 0.05 0.09 -0.04 2.02 2.19 1js8A1 PRO 2736 HG2 0.09 -0.03 0.07 -0.04 2.03 2.13 1js8A1 PRO 2736 HG3 0.07 0.03 0.06 -0.04 2.03 2.15 1js8A1 PRO 2736 HD2 0.08 0.03 0.24 -0.04 3.68 3.99 1js8A1 PRO 2736 HD3 0.07 0.16 0.23 -0.04 3.65 4.06 1js8A1 LEU 2737 H 0.14 0.74 0.18 -0.55 8.37 8.89 1js8A1 LEU 2737 HA 0.30 0.10 0.65 -0.75 4.35 4.64 1js8A1 LEU 2737 HB2 0.17 0.02 0.07 -0.04 1.64 1.86 1js8A1 LEU 2737 HB3 0.33 0.02 -0.01 -0.04 1.64 1.94 1js8A1 LEU 2737 HG 0.14 -0.02 -0.32 -0.04 1.64 1.41 1js8A1 LEU 2737 HD13 0.06 0.00 -0.35 -0.04 0.93 0.61 1js8A1 LEU 2737 HD23 0.28 -0.00 -0.10 -0.04 0.89 1.02 1js8A1 LYS 2738 H 0.21 0.25 0.10 -0.55 8.42 8.42 1js8A1 LYS 2738 HA 0.03 -0.11 0.47 -0.75 4.32 3.96 1js8A1 LYS 2738 HB2 0.10 0.05 0.10 -0.04 1.87 2.08 1js8A1 LYS 2738 HB3 -0.02 0.05 0.00 -0.04 1.79 1.78 1js8A1 LYS 2738 HG2 0.05 -0.03 -0.02 -0.04 1.46 1.42 1js8A1 LYS 2738 HG3 0.10 0.07 -0.01 -0.04 1.46 1.59 1js8A1 LYS 2738 HD2 0.14 0.01 0.02 -0.04 1.69 1.81 1js8A1 LYS 2738 HD3 0.04 -0.00 0.03 -0.04 1.68 1.70 1js8A1 LYS 2738 HE2 0.07 -0.01 0.00 -0.04 2.99 3.01 1js8A1 LYS 2738 HE3 0.10 0.02 0.01 -0.04 2.99 3.08 1js8A1 PRO 2739 HA -0.15 -0.05 0.35 -0.51 4.44 4.09 1js8A1 PRO 2739 HB2 -0.46 0.01 0.14 -0.04 2.28 1.93 1js8A1 PRO 2739 HB3 -0.32 0.10 0.08 -0.04 2.02 1.83 1js8A1 PRO 2739 HG2 -1.60 0.03 -0.02 -0.04 2.03 0.39 1js8A1 PRO 2739 HG3 -0.79 0.10 0.07 -0.04 2.03 1.36 1js8A1 PRO 2739 HD2 -0.86 0.05 0.16 -0.04 3.68 3.00 1js8A1 PRO 2739 HD3 -0.09 0.21 0.33 -0.04 3.65 4.07 1js8A1 PHE 2740 H -0.20 0.43 0.11 -0.55 8.34 8.13 1js8A1 PHE 2740 HA -0.04 0.04 0.33 -0.75 4.62 4.20 1js8A1 PHE 2740 HB2 -0.09 0.13 0.09 -0.04 3.15 3.25 1js8A1 PHE 2740 HB3 -0.05 0.08 -0.09 -0.04 3.06 2.96 1js8A1 PHE 2740 HD2 -0.21 0.04 -0.10 -0.04 7.28 6.97 1js8A1 PHE 2740 HE2 -1.17 0.00 -0.10 -0.04 7.38 6.08 1js8A1 PHE 2740 HZ -0.61 -0.07 -0.10 -0.04 7.32 6.50 1js8A1 ASN 2741 H 0.07 0.03 -0.31 -0.55 8.53 7.77 1js8A1 ASN 2741 HA 0.07 0.25 0.63 -0.75 4.76 4.97 1js8A1 ASN 2741 HB2 0.05 0.00 0.06 -0.04 2.88 2.96 1js8A1 ASN 2741 HB3 0.08 0.03 0.01 -0.04 2.79 2.87 1js8A1 ASN 2741 HD21 0.04 -0.03 -0.12 -0.04 7.03 6.88 1js8A1 ASN 2741 HD22 0.04 0.02 -0.10 -0.04 7.74 7.66 1js8A1 LEU 2742 H -0.02 0.30 -0.34 -0.55 8.37 7.77 1js8A1 LEU 2742 HA 0.00 0.05 0.50 -0.75 4.35 4.14 1js8A1 LEU 2742 HB2 -0.06 0.12 0.02 -0.04 1.64 1.69 1js8A1 LEU 2742 HB3 -0.02 -0.12 0.09 -0.04 1.64 1.55 1js8A1 LEU 2742 HG -0.07 -0.04 0.03 -0.04 1.64 1.52 1js8A1 LEU 2742 HD13 -0.08 0.02 0.05 -0.04 0.93 0.88 1js8A1 LEU 2742 HD23 -0.00 -0.00 -0.08 -0.04 0.89 0.76 1js8A1 ASP 2743 H 0.01 0.10 0.16 -0.55 8.40 8.13 1js8A1 ASP 2743 HA 0.02 0.18 0.40 -0.75 4.63 4.47 1js8A1 ASP 2743 HB2 0.01 -0.06 0.14 -0.04 2.71 2.76 1js8A1 ASP 2743 HB3 0.01 0.02 0.06 -0.04 2.70 2.75 1js8A1 THR 2744 H 0.00 -0.02 -0.35 -0.55 8.28 7.37 1js8A1 THR 2744 HA 0.02 0.07 0.25 -0.75 4.39 3.97 1js8A1 THR 2744 HB 0.01 0.03 0.06 -0.04 4.32 4.38 1js8A1 THR 2744 HG23 0.00 -0.02 -0.01 -0.04 1.22 1.15 1js8A1 ASN 2745 H 0.02 0.49 -0.71 -0.55 8.53 7.79 1js8A1 ASN 2745 HA 0.10 0.09 0.67 -0.75 4.76 4.87 1js8A1 ASN 2745 HB2 0.03 0.02 0.05 -0.04 2.88 2.94 1js8A1 ASN 2745 HB3 0.06 0.23 0.09 -0.04 2.79 3.13 1js8A1 ASN 2745 HD21 0.23 -0.24 -0.07 -0.04 7.03 6.91 1js8A1 ASN 2745 HD22 0.15 0.48 0.08 -0.04 7.74 8.41 1js8A1 PRO 2746 HA 0.03 0.11 0.41 -0.51 4.44 4.49 1js8A1 PRO 2746 HB2 0.02 -0.03 -0.03 -0.04 2.28 2.19 1js8A1 PRO 2746 HB3 0.03 -0.01 0.01 -0.04 2.02 2.00 1js8A1 PRO 2746 HG2 0.03 -0.01 -0.09 -0.04 2.03 1.92 1js8A1 PRO 2746 HG3 0.02 0.05 -0.19 -0.04 2.03 1.87 1js8A1 PRO 2746 HD2 0.11 0.07 0.23 -0.04 3.68 4.05 1js8A1 PRO 2746 HD3 0.06 0.32 0.16 -0.04 3.65 4.15 1js8A1 ASN 2747 H 0.08 0.13 -0.47 -0.55 8.53 7.73 1js8A1 ASN 2747 HA 0.04 0.13 0.86 -0.75 4.76 5.03 1js8A1 ASN 2747 HB2 0.05 0.09 0.03 -0.04 2.88 3.01 1js8A1 ASN 2747 HB3 0.10 0.01 0.10 -0.04 2.79 2.96 1js8A1 ASN 2747 HD21 0.01 0.04 -0.00 -0.04 7.03 7.04 1js8A1 ASN 2747 HD22 0.01 0.11 0.03 -0.04 7.74 7.85 1js8A1 ALA 2748 H 0.04 0.22 0.11 -0.55 8.40 8.23 1js8A1 ALA 2748 HA 0.05 0.18 0.34 -0.75 4.34 4.16 1js8A1 ALA 2748 HB3 0.04 0.02 0.05 -0.04 1.41 1.48 1js8A1 VAL 2749 H 0.05 0.06 -0.14 -0.55 8.24 7.66 1js8A1 VAL 2749 HA 0.12 0.17 0.61 -0.75 4.13 4.28 1js8A1 VAL 2749 HB 0.03 -0.04 0.09 -0.04 2.12 2.15 1js8A1 VAL 2749 HG13 -0.02 0.04 -0.03 -0.04 0.97 0.92 1js8A1 VAL 2749 HG23 0.04 0.01 0.01 -0.04 0.95 0.96 1js8A1 THR 2750 H 0.05 0.06 -0.15 -0.55 8.28 7.69 1js8A1 THR 2750 HA -0.01 0.09 0.16 -0.75 4.39 3.89 1js8A1 THR 2750 HB -0.20 0.01 0.01 -0.04 4.32 4.11 1js8A1 THR 2750 HG23 -0.06 -0.00 -0.02 -0.04 1.22 1.09 1js8A1 LYS 2751 H 0.09 0.20 -0.48 -0.55 8.42 7.68 1js8A1 LYS 2751 HA 0.11 0.34 0.49 -0.75 4.32 4.50 1js8A1 LYS 2751 HB2 0.09 0.10 0.09 -0.04 1.87 2.10 1js8A1 LYS 2751 HB3 0.06 -0.07 0.06 -0.04 1.79 1.80 1js8A1 LYS 2751 HG2 0.04 -0.11 -0.14 -0.04 1.46 1.22 1js8A1 LYS 2751 HG3 0.06 0.10 -0.03 -0.04 1.46 1.55 1js8A1 LYS 2751 HD2 0.05 0.04 -0.08 -0.04 1.69 1.65 1js8A1 LYS 2751 HD3 0.03 -0.11 -0.09 -0.04 1.68 1.47 1js8A1 LYS 2751 HE2 0.03 -0.10 -0.18 -0.04 2.99 2.70 1js8A1 LYS 2751 HE3 0.04 0.37 -0.24 -0.04 2.99 3.12 1js8A1 ALA 2752 H 0.09 0.33 -0.35 -0.55 8.40 7.92 1js8A1 ALA 2752 HA -0.02 0.01 0.49 -0.75 4.34 4.07 1js8A1 ALA 2752 HB3 0.02 0.02 0.14 -0.04 1.41 1.55 1js8A1 HIS 2753 H 0.16 0.34 -0.45 -0.55 8.41 7.91 1js8A1 HIS 2753 HA 0.02 0.08 0.72 -0.75 4.63 4.70 1js8A1 HIS 2753 HB2 -0.03 0.01 -0.01 -0.04 3.26 3.20 1js8A1 HIS 2753 HB3 -0.01 -0.01 -0.06 -0.04 3.20 3.08 1js8A1 HIS 2753 HD2 0.01 0.26 0.09 -0.04 6.97 7.28 1js8A1 HIS 2753 HE1 0.00 -0.04 -0.01 -0.04 7.75 7.65 1js8A1 SER 2754 H 0.04 0.30 -0.48 -0.55 8.46 7.77 1js8A1 SER 2754 HA 0.04 0.18 0.59 -0.75 4.49 4.54 1js8A1 SER 2754 HB2 0.13 -0.23 0.05 -0.04 3.95 3.86 1js8A1 SER 2754 HB3 0.11 0.29 -0.11 -0.04 3.93 4.18 1js8A1 THR 2755 H 0.07 0.27 -0.45 -0.55 8.28 7.61 1js8A1 THR 2755 HA 0.09 0.25 0.73 -0.75 4.39 4.72 1js8A1 THR 2755 HB 0.09 0.06 -0.09 -0.04 4.32 4.33 1js8A1 THR 2755 HG23 0.06 0.01 -0.26 -0.04 1.22 0.99 1js8A1 GLY 2756 H 0.11 0.39 0.02 -0.55 8.43 8.40 1js8A1 GLY 2756 HA2 0.05 0.02 0.41 -0.51 4.01 3.98 1js8A1 GLY 2756 HA3 0.12 -0.01 0.35 -0.51 4.01 3.96 1js8A1 ALA 2757 H 0.15 0.42 0.00 -0.55 8.40 8.43 1js8A1 ALA 2757 HA 0.36 -0.00 0.37 -0.75 4.34 4.32 1js8A1 ALA 2757 HB3 0.11 0.00 0.05 -0.04 1.41 1.54 1js8A1 THR 2758 H 0.12 0.14 -0.45 -0.55 8.28 7.54 1js8A1 THR 2758 HA 0.13 0.14 0.78 -0.75 4.39 4.69 1js8A1 THR 2758 HB -0.01 0.06 0.16 -0.04 4.32 4.50 1js8A1 THR 2758 HG23 0.01 -0.01 -0.05 -0.04 1.22 1.14 1js8A1 SER 2759 H 0.10 0.33 -0.29 -0.55 8.46 8.05 1js8A1 SER 2759 HA 0.09 0.24 0.72 -0.75 4.49 4.78 1js8A1 SER 2759 HB2 0.07 -0.11 0.11 -0.04 3.95 3.99 1js8A1 SER 2759 HB3 0.03 0.13 0.04 -0.04 3.93 4.08 1js8A1 PHE 2760 H 0.26 0.22 -0.32 -0.55 8.34 7.94 1js8A1 PHE 2760 HA 0.03 0.06 0.33 -0.75 4.62 4.28 1js8A1 PHE 2760 HB2 0.01 0.13 0.15 -0.04 3.15 3.40 1js8A1 PHE 2760 HB3 -0.00 -0.06 0.07 -0.04 3.06 3.03 1js8A1 PHE 2760 HD2 0.14 0.14 -0.00 -0.04 7.28 7.53 1js8A1 PHE 2760 HE2 -0.41 -0.06 -0.19 -0.04 7.38 6.68 1js8A1 PHE 2760 HZ -0.35 -0.11 -0.18 -0.04 7.32 6.64 1js8A1 ASP 2761 H 0.12 0.18 -0.13 -0.55 8.40 8.02 1js8A1 ASP 2761 HA -0.05 0.05 0.53 -0.75 4.63 4.40 1js8A1 ASP 2761 HB2 0.03 0.04 0.09 -0.04 2.71 2.84 1js8A1 ASP 2761 HB3 0.02 0.10 0.17 -0.04 2.70 2.95 1js8A1 TYR 2762 H -0.05 0.28 0.23 -0.55 8.29 8.20 1js8A1 TYR 2762 HA -0.33 0.17 0.34 -0.75 4.56 3.99 1js8A1 TYR 2762 HB2 -0.83 0.00 0.00 -0.04 3.06 2.20 1js8A1 TYR 2762 HB3 -0.33 0.11 0.05 -0.04 2.98 2.77 1js8A1 TYR 2762 HD2 -0.59 0.13 -0.06 -0.04 7.15 6.59 1js8A1 TYR 2762 HE2 -0.25 -0.02 0.01 -0.04 6.85 6.54 1js8A1 HIS 2763 H -0.67 0.06 -0.17 -0.55 8.41 7.09 1js8A1 HIS 2763 HA -0.39 0.20 0.42 -0.75 4.63 4.12 1js8A1 HIS 2763 HB2 -0.33 -0.05 0.08 -0.04 3.26 2.93 1js8A1 HIS 2763 HB3 -0.23 0.05 0.03 -0.04 3.20 3.01 1js8A1 HIS 2763 HD2 -0.21 0.08 0.04 -0.04 6.97 6.84 1js8A1 HIS 2763 HE1 -0.25 -0.01 0.00 -0.04 7.75 7.45 1js8A1 LYS 2764 H -0.15 0.21 -0.46 -0.55 8.42 7.47 1js8A1 LYS 2764 HA -0.06 0.06 0.33 -0.75 4.32 3.89 1js8A1 LYS 2764 HB2 -0.10 0.27 0.05 -0.04 1.87 2.05 1js8A1 LYS 2764 HB3 0.01 0.02 0.09 -0.04 1.79 1.86 1js8A1 LYS 2764 HG2 0.03 -0.00 0.01 -0.04 1.46 1.46 1js8A1 LYS 2764 HG3 -0.02 -0.13 -0.02 -0.04 1.46 1.25 1js8A1 LYS 2764 HD2 0.05 -0.06 0.05 -0.04 1.69 1.69 1js8A1 LYS 2764 HD3 0.21 0.09 0.04 -0.04 1.68 1.98 1js8A1 LYS 2764 HE2 0.07 0.03 0.02 -0.04 2.99 3.06 1js8A1 LYS 2764 HE3 0.03 -0.02 0.01 -0.04 2.99 2.97 1js8A1 LEU 2765 H -0.26 0.54 -0.66 -0.55 8.37 7.45 1js8A1 LEU 2765 HA -0.20 0.14 0.82 -0.75 4.35 4.35 1js8A1 LEU 2765 HB2 -0.22 0.10 0.07 -0.04 1.64 1.54 1js8A1 LEU 2765 HB3 0.06 -0.08 0.09 -0.04 1.64 1.67 1js8A1 LEU 2765 HG -0.23 0.07 -0.09 -0.04 1.64 1.34 1js8A1 LEU 2765 HD13 0.00 -0.02 -0.11 -0.04 0.93 0.77 1js8A1 LEU 2765 HD23 -0.47 0.03 -0.20 -0.04 0.89 0.20 1js8A1 GLY 2766 H -0.13 0.40 -0.17 -0.55 8.43 7.99 1js8A1 GLY 2766 HA2 -0.02 0.05 0.30 -0.51 4.01 3.82 1js8A1 GLY 2766 HA3 0.01 0.05 0.36 -0.51 4.01 3.92 1js8A1 TYR 2767 H -0.29 0.23 -0.04 -0.55 8.29 7.64 1js8A1 TYR 2767 HA -0.04 0.23 0.87 -0.75 4.56 4.87 1js8A1 TYR 2767 HB2 -0.12 0.04 0.13 -0.04 3.06 3.07 1js8A1 TYR 2767 HB3 -0.06 0.01 -0.17 -0.04 2.98 2.72 1js8A1 TYR 2767 HD2 -0.24 0.08 -0.26 -0.04 7.15 6.68 1js8A1 TYR 2767 HE2 -0.14 -0.01 -0.11 -0.04 6.85 6.55 1js8A1 ASP 2768 H 0.07 0.60 0.33 -0.55 8.40 8.86 1js8A1 ASP 2768 HA 0.04 0.07 0.46 -0.75 4.63 4.45 1js8A1 ASP 2768 HB2 0.07 0.06 -0.36 -0.04 2.71 2.44 1js8A1 ASP 2768 HB3 0.07 0.02 -0.18 -0.04 2.70 2.58 1js8A1 TYR 2769 H 0.20 0.17 0.11 -0.55 8.29 8.22 1js8A1 TYR 2769 HA 0.16 0.26 0.95 -0.75 4.56 5.17 1js8A1 TYR 2769 HB2 0.04 -0.03 -0.05 -0.04 3.06 2.98 1js8A1 TYR 2769 HB3 0.05 -0.02 0.06 -0.04 2.98 3.03 1js8A1 TYR 2769 HD2 -0.03 -0.03 -0.06 -0.04 7.15 6.99 1js8A1 TYR 2769 HE2 -0.21 0.04 -0.12 -0.04 6.85 6.51 1js8A1 ASP 2770 H 0.34 0.40 0.34 -0.55 8.40 8.92 1js8A1 ASP 2770 HA 0.12 0.09 0.38 -0.75 4.63 4.46 1js8A1 ASP 2770 HB2 0.10 0.02 0.09 -0.04 2.71 2.88 1js8A1 ASP 2770 HB3 0.10 0.02 0.13 -0.04 2.70 2.91 1js8A1 ASN 2771 H 0.23 0.18 -0.09 -0.55 8.53 8.30 1js8A1 ASN 2771 HA 0.10 0.17 0.35 -0.75 4.76 4.63 1js8A1 ASN 2771 HB2 0.06 -0.07 0.12 -0.04 2.88 2.94 1js8A1 ASN 2771 HB3 0.07 0.25 -0.06 -0.04 2.79 3.01 1js8A1 ASN 2771 HD21 0.08 0.00 -0.06 -0.04 7.03 7.01 1js8A1 ASN 2771 HD22 0.08 0.10 -0.17 -0.04 7.74 7.70 1js8A1 LEU 2772 H 0.04 0.19 0.04 -0.55 8.37 8.10 1js8A1 LEU 2772 HA -0.06 0.22 0.80 -0.75 4.35 4.56 1js8A1 LEU 2772 HB2 0.00 -0.01 0.09 -0.04 1.64 1.68 1js8A1 LEU 2772 HB3 -0.03 0.03 0.19 -0.04 1.64 1.79 1js8A1 LEU 2772 HG 0.07 -0.08 -0.26 -0.04 1.64 1.34 1js8A1 LEU 2772 HD13 0.06 0.02 -0.03 -0.04 0.93 0.94 1js8A1 LEU 2772 HD23 -0.13 0.03 -0.14 -0.04 0.89 0.61 1js8A1 ASN 2773 H 0.04 0.07 -0.32 -0.55 8.53 7.77 1js8A1 ASN 2773 HA 0.05 0.25 0.64 -0.75 4.76 4.94 1js8A1 ASN 2773 HB2 0.03 -0.05 0.04 -0.04 2.88 2.85 1js8A1 ASN 2773 HB3 0.02 -0.02 -0.24 -0.04 2.79 2.51 1js8A1 ASN 2773 HD21 0.01 0.01 -0.09 -0.04 7.03 6.92 1js8A1 ASN 2773 HD22 0.02 0.02 -0.12 -0.04 7.74 7.61 1js8A1 PHE 2774 H 0.19 0.32 0.14 -0.55 8.34 8.45 1js8A1 PHE 2774 HA 0.05 -0.00 0.47 -0.75 4.62 4.39 1js8A1 PHE 2774 HB2 0.01 0.05 0.04 -0.04 3.15 3.21 1js8A1 PHE 2774 HB3 0.06 0.03 0.11 -0.04 3.06 3.22 1js8A1 PHE 2774 HD2 0.07 -0.00 -0.10 -0.04 7.28 7.20 1js8A1 PHE 2774 HE2 -0.04 -0.00 -0.07 -0.04 7.38 7.23 1js8A1 PHE 2774 HZ -0.08 0.01 -0.04 -0.04 7.32 7.16 1js8A1 HIS 2775 H -0.27 0.14 0.17 -0.55 8.41 7.91 1js8A1 HIS 2775 HA -0.23 0.01 0.32 -0.75 4.63 3.97 1js8A1 HIS 2775 HB2 -0.28 0.05 -0.41 -0.04 3.26 2.59 1js8A1 HIS 2775 HB3 -0.19 0.04 0.26 -0.04 3.20 3.27 1js8A1 HIS 2775 HD2 -0.99 -0.09 -0.08 -0.04 6.97 5.77 1js8A1 HIS 2775 HE1 -0.13 0.05 0.07 -0.04 7.75 7.69 1js8A1 GLY 2776 H -0.05 0.17 -0.28 -0.55 8.43 7.72 1js8A1 GLY 2776 HA2 -0.02 -0.03 0.17 -0.51 4.01 3.63 1js8A1 GLY 2776 HA3 -0.04 0.09 0.33 -0.51 4.01 3.87 1js8A1 MET 2777 H 0.05 0.36 -0.79 -0.55 8.47 7.54 1js8A1 MET 2777 HA 0.01 0.12 0.76 -0.75 4.52 4.65 1js8A1 MET 2777 HB2 0.10 0.15 0.01 -0.04 2.15 2.38 1js8A1 MET 2777 HB3 0.04 -0.11 -0.09 -0.04 2.03 1.83 1js8A1 MET 2777 HG2 -0.01 -0.04 -0.12 -0.04 2.63 2.43 1js8A1 MET 2777 HG3 0.00 0.19 -0.16 -0.04 2.56 2.55 1js8A1 MET 2777 HE3 -0.03 0.03 -0.02 -0.04 2.10 2.05 1js8A1 THR 2778 H -0.01 0.10 0.13 -0.55 8.28 7.96 1js8A1 THR 2778 HA -0.01 0.12 0.53 -0.75 4.39 4.28 1js8A1 THR 2778 HB -0.05 0.01 0.17 -0.04 4.32 4.40 1js8A1 THR 2778 HG23 -0.01 0.04 0.03 -0.04 1.22 1.23 1js8A1 ILE 2779 H -0.09 0.15 0.15 -0.55 8.25 7.91 1js8A1 ILE 2779 HA -0.09 0.11 0.41 -0.75 4.18 3.85 1js8A1 ILE 2779 HB -0.19 -0.01 0.16 -0.04 1.89 1.81 1js8A1 ILE 2779 HG12 -0.06 -0.05 0.07 -0.04 1.49 1.41 1js8A1 ILE 2779 HG13 -0.09 0.01 0.04 -0.04 1.21 1.14 1js8A1 ILE 2779 HG23 -0.28 0.03 -0.14 -0.04 0.93 0.50 1js8A1 ILE 2779 HD13 -0.07 0.01 0.07 -0.04 0.88 0.85 1js8A1 PRO 2780 HA -0.66 0.16 0.45 -0.51 4.44 3.88 1js8A1 PRO 2780 HB2 -0.13 0.01 0.01 -0.04 2.28 2.12 1js8A1 PRO 2780 HB3 -0.20 0.10 0.08 -0.04 2.02 1.96 1js8A1 PRO 2780 HG2 -0.19 0.07 0.05 -0.04 2.03 1.92 1js8A1 PRO 2780 HG3 -0.79 0.12 0.03 -0.04 2.03 1.35 1js8A1 PRO 2780 HD2 -0.17 0.02 0.04 -0.04 3.68 3.53 1js8A1 PRO 2780 HD3 -0.27 0.06 0.16 -0.04 3.65 3.57 1js8A1 GLU 2781 H -0.08 0.09 -0.41 -0.55 8.60 7.66 1js8A1 GLU 2781 HA 0.02 0.09 0.41 -0.75 4.29 4.05 1js8A1 GLU 2781 HB2 0.00 0.03 0.11 -0.04 2.09 2.19 1js8A1 GLU 2781 HB3 0.02 0.06 -0.01 -0.04 1.99 2.03 1js8A1 GLU 2781 HG2 0.00 0.07 0.03 -0.04 2.34 2.40 1js8A1 GLU 2781 HG3 -0.02 -0.06 0.04 -0.04 2.34 2.26 1js8A1 LEU 2782 H 0.00 0.53 -0.16 -0.55 8.37 8.19 1js8A1 LEU 2782 HA 0.15 0.04 0.46 -0.75 4.35 4.25 1js8A1 LEU 2782 HB2 0.12 0.02 0.03 -0.04 1.64 1.77 1js8A1 LEU 2782 HB3 0.02 0.12 0.11 -0.04 1.64 1.85 1js8A1 LEU 2782 HG 0.05 0.04 -0.22 -0.04 1.64 1.47 1js8A1 LEU 2782 HD13 0.27 -0.00 -0.01 -0.04 0.93 1.15 1js8A1 LEU 2782 HD23 -0.03 -0.01 -0.03 -0.04 0.89 0.77 1js8A1 GLU 2783 H 0.00 0.40 -0.19 -0.55 8.60 8.27 1js8A1 GLU 2783 HA 0.06 0.08 0.43 -0.75 4.29 4.10 1js8A1 GLU 2783 HB2 0.13 0.04 0.10 -0.04 2.09 2.31 1js8A1 GLU 2783 HB3 0.16 0.06 0.15 -0.04 1.99 2.31 1js8A1 GLU 2783 HG2 0.32 0.02 -0.04 -0.04 2.34 2.60 1js8A1 GLU 2783 HG3 0.14 -0.02 -0.20 -0.04 2.34 2.22 1js8A1 GLU 2784 H 0.07 0.41 -0.20 -0.55 8.60 8.33 1js8A1 GLU 2784 HA 0.05 0.03 0.41 -0.75 4.29 4.02 1js8A1 GLU 2784 HB2 0.06 0.13 0.24 -0.04 2.09 2.49 1js8A1 GLU 2784 HB3 0.07 0.01 0.02 -0.04 1.99 2.05 1js8A1 GLU 2784 HG2 0.06 -0.03 0.03 -0.04 2.34 2.35 1js8A1 GLU 2784 HG3 0.05 -0.03 0.03 -0.04 2.34 2.35 1js8A1 HIS 2785 H 0.16 0.49 -0.20 -0.55 8.41 8.31 1js8A1 HIS 2785 HA 0.02 -0.02 0.41 -0.75 4.63 4.29 1js8A1 HIS 2785 HB2 0.06 0.01 0.12 -0.04 3.26 3.42 1js8A1 HIS 2785 HB3 0.08 0.15 0.19 -0.04 3.20 3.57 1js8A1 HIS 2785 HD2 0.17 0.03 -0.10 -0.04 6.97 7.02 1js8A1 HIS 2785 HE1 0.10 -0.02 -0.03 -0.04 7.75 7.77 1js8A1 LEU 2786 H 0.06 0.60 -0.09 -0.55 8.37 8.39 1js8A1 LEU 2786 HA -0.15 0.00 0.52 -0.75 4.35 3.97 1js8A1 LEU 2786 HB2 0.01 0.09 0.07 -0.04 1.64 1.76 1js8A1 LEU 2786 HB3 -0.01 -0.02 -0.00 -0.04 1.64 1.57 1js8A1 LEU 2786 HG 0.10 0.21 0.02 -0.04 1.64 1.92 1js8A1 LEU 2786 HD13 0.02 -0.02 -0.25 -0.04 0.93 0.64 1js8A1 LEU 2786 HD23 0.02 -0.02 -0.02 -0.04 0.89 0.83 1js8A1 LYS 2787 H -0.04 0.49 -0.24 -0.55 8.42 8.07 1js8A1 LYS 2787 HA -0.10 0.04 0.50 -0.75 4.32 4.01 1js8A1 LYS 2787 HB2 -0.08 0.15 0.20 -0.04 1.87 2.09 1js8A1 LYS 2787 HB3 -0.16 -0.07 -0.02 -0.04 1.79 1.50 1js8A1 LYS 2787 HG2 -0.01 -0.03 0.04 -0.04 1.46 1.41 1js8A1 LYS 2787 HG3 0.01 0.31 0.08 -0.04 1.46 1.82 1js8A1 LYS 2787 HD2 0.03 -0.04 -0.01 -0.04 1.69 1.63 1js8A1 LYS 2787 HD3 0.04 -0.03 -0.01 -0.04 1.68 1.64 1js8A1 LYS 2787 HE2 0.03 0.05 -0.04 -0.04 2.99 2.98 1js8A1 LYS 2787 HE3 0.04 -0.05 -0.06 -0.04 2.99 2.88 1js8A1 GLU 2788 H -0.18 0.50 -0.10 -0.55 8.60 8.28 1js8A1 GLU 2788 HA -0.42 -0.02 0.31 -0.75 4.29 3.40 1js8A1 GLU 2788 HB2 -0.13 0.26 0.18 -0.04 2.09 2.35 1js8A1 GLU 2788 HB3 -0.06 -0.06 -0.00 -0.04 1.99 1.83 1js8A1 GLU 2788 HG2 0.00 -0.06 0.05 -0.04 2.34 2.29 1js8A1 GLU 2788 HG3 -0.03 0.12 0.06 -0.04 2.34 2.45 1js8A1 ILE 2789 H -0.19 0.31 -0.54 -0.55 8.25 7.29 1js8A1 ILE 2789 HA -0.05 -0.04 0.31 -0.75 4.18 3.64 1js8A1 ILE 2789 HB -0.14 0.16 0.16 -0.04 1.89 2.03 1js8A1 ILE 2789 HG12 -0.04 -0.06 0.05 -0.04 1.49 1.40 1js8A1 ILE 2789 HG13 -0.14 -0.01 0.02 -0.04 1.21 1.04 1js8A1 ILE 2789 HG23 -0.01 -0.01 -0.13 -0.04 0.93 0.73 1js8A1 ILE 2789 HD13 -0.05 -0.01 -0.02 -0.04 0.88 0.76 1js8A1 GLN 2790 H -0.10 0.56 -0.20 -0.55 8.47 8.18 1js8A1 GLN 2790 HA 0.05 0.13 0.65 -0.75 4.36 4.44 1js8A1 GLN 2790 HB2 0.02 0.07 0.08 -0.04 2.15 2.28 1js8A1 GLN 2790 HB3 0.07 -0.06 0.16 -0.04 2.02 2.14 1js8A1 GLN 2790 HG2 0.04 -0.06 -0.02 -0.04 2.40 2.32 1js8A1 GLN 2790 HG3 -0.02 0.13 0.07 -0.04 2.39 2.54 1js8A1 GLN 2790 HE21 0.03 -0.02 -0.01 -0.04 6.97 6.93 1js8A1 GLN 2790 HE22 0.05 -0.03 0.02 -0.04 7.69 7.69 1js8A1 HIS 2791 H 0.04 0.53 -0.41 -0.55 8.41 8.02 1js8A1 HIS 2791 HA 0.02 0.02 0.74 -0.75 4.63 4.65 1js8A1 HIS 2791 HB2 0.01 0.29 0.15 -0.04 3.26 3.68 1js8A1 HIS 2791 HB3 0.01 -0.12 0.14 -0.04 3.20 3.19 1js8A1 HIS 2791 HD2 0.02 0.05 -0.25 -0.04 6.97 6.74 1js8A1 HIS 2791 HE1 0.02 -0.05 -0.06 -0.04 7.75 7.61 1js8A1 GLU 2792 H 0.07 0.33 -0.31 -0.55 8.60 8.14 1js8A1 GLU 2792 HA 0.04 0.06 0.81 -0.75 4.29 4.45 1js8A1 GLU 2792 HB2 0.02 0.19 0.10 -0.04 2.09 2.36 1js8A1 GLU 2792 HB3 0.01 0.05 0.01 -0.04 1.99 2.02 1js8A1 GLU 2792 HG2 0.05 -0.00 -0.17 -0.04 2.34 2.18 1js8A1 GLU 2792 HG3 0.02 -0.00 -0.02 -0.04 2.34 2.30 1js8A1 ASP 2793 H 0.02 0.07 0.15 -0.55 8.40 8.09 1js8A1 ASP 2793 HA 0.04 0.17 0.63 -0.75 4.63 4.72 1js8A1 ASP 2793 HB2 0.01 -0.02 0.11 -0.04 2.71 2.77 1js8A1 ASP 2793 HB3 0.02 -0.01 -0.05 -0.04 2.70 2.62 1js8A1 ARG 2794 H 0.02 0.62 0.28 -0.55 8.46 8.82 1js8A1 ARG 2794 HA -0.15 0.07 0.86 -0.75 4.34 4.37 1js8A1 ARG 2794 HB2 -0.09 0.07 0.02 -0.04 1.90 1.86 1js8A1 ARG 2794 HB3 -0.60 -0.11 0.02 -0.04 1.80 1.07 1js8A1 ARG 2794 HG2 -0.12 -0.08 -0.08 -0.04 1.67 1.35 1js8A1 ARG 2794 HG3 -0.03 0.14 -0.75 -0.04 1.67 0.99 1js8A1 ARG 2794 HD2 -0.07 -0.13 -0.05 -0.04 3.22 2.93 1js8A1 ARG 2794 HD3 -0.01 0.09 -0.04 -0.04 3.22 3.22 1js8A1 VAL 2795 H -0.30 0.09 0.21 -0.55 8.24 7.69 1js8A1 VAL 2795 HA -0.15 0.27 1.03 -0.75 4.13 4.53 1js8A1 VAL 2795 HB -0.14 -0.11 -0.03 -0.04 2.12 1.80 1js8A1 VAL 2795 HG13 -0.01 0.03 -0.20 -0.04 0.97 0.75 1js8A1 VAL 2795 HG23 -0.03 -0.00 -0.15 -0.04 0.95 0.73 1js8A1 PHE 2796 H -0.38 0.78 0.32 -0.55 8.34 8.50 1js8A1 PHE 2796 HA -0.21 0.11 1.26 -0.75 4.62 5.02 1js8A1 PHE 2796 HB2 -1.95 -0.03 -0.06 -0.04 3.15 1.07 1js8A1 PHE 2796 HB3 -0.50 0.11 -0.15 -0.04 3.06 2.48 1js8A1 PHE 2796 HD2 -0.25 -0.00 -0.47 -0.04 7.28 6.52 1js8A1 PHE 2796 HE2 -0.06 0.04 -0.14 -0.04 7.38 7.19 1js8A1 PHE 2796 HZ -0.04 0.08 -0.10 -0.04 7.32 7.23 1js8A1 ALA 2797 H 0.09 0.67 0.38 -0.55 8.40 8.99 1js8A1 ALA 2797 HA -0.11 0.29 0.84 -0.75 4.34 4.61 1js8A1 ALA 2797 HB3 -0.11 -0.02 0.03 -0.04 1.41 1.26 1js8A1 GLY 2798 H -0.18 0.57 0.29 -0.55 8.43 8.57 1js8A1 GLY 2798 HA2 0.10 0.31 0.91 -0.51 4.01 4.82 1js8A1 GLY 2798 HA3 0.19 -0.05 0.18 -0.51 4.01 3.83 1js8A1 PHE 2799 H 0.24 0.62 0.25 -0.55 8.34 8.90 1js8A1 PHE 2799 HA 0.06 0.21 0.94 -0.75 4.62 5.08 1js8A1 PHE 2799 HB2 0.10 -0.03 0.02 -0.04 3.15 3.20 1js8A1 PHE 2799 HB3 0.15 0.07 -0.16 -0.04 3.06 3.07 1js8A1 PHE 2799 HD2 0.11 0.12 -0.18 -0.04 7.28 7.29 1js8A1 PHE 2799 HE2 -0.09 0.00 -0.20 -0.04 7.38 7.05 1js8A1 PHE 2799 HZ -1.14 -0.02 -0.21 -0.04 7.32 5.91 1js8A1 LEU 2800 H 0.16 0.29 0.07 -0.55 8.37 8.34 1js8A1 LEU 2800 HA 0.14 0.14 0.76 -0.75 4.35 4.63 1js8A1 LEU 2800 HB2 0.08 0.02 0.12 -0.04 1.64 1.82 1js8A1 LEU 2800 HB3 0.08 0.05 -0.03 -0.04 1.64 1.70 1js8A1 LEU 2800 HG 0.03 -0.04 -0.15 -0.04 1.64 1.44 1js8A1 LEU 2800 HD13 0.03 0.01 -0.06 -0.04 0.93 0.87 1js8A1 LEU 2800 HD23 0.06 0.03 -0.18 -0.04 0.89 0.76 1js8A1 LEU 2801 H 0.26 0.18 0.18 -0.55 8.37 8.44 1js8A1 LEU 2801 HA 0.15 0.27 1.01 -0.75 4.35 5.03 1js8A1 LEU 2801 HB2 0.59 -0.08 0.04 -0.04 1.64 2.16 1js8A1 LEU 2801 HB3 0.39 0.04 -0.02 -0.04 1.64 2.01 1js8A1 LEU 2801 HG 0.19 -0.03 -0.37 -0.04 1.64 1.39 1js8A1 LEU 2801 HD13 -0.15 -0.00 -0.09 -0.04 0.93 0.65 1js8A1 LEU 2801 HD23 0.25 0.04 -0.20 -0.04 0.89 0.94 1js8A1 ARG 2802 H -0.18 0.37 0.23 -0.55 8.46 8.33 1js8A1 ARG 2802 HA -0.92 0.06 0.75 -0.75 4.34 3.47 1js8A1 ARG 2802 HB2 -0.45 0.03 0.21 -0.04 1.90 1.65 1js8A1 ARG 2802 HB3 -0.21 -0.01 0.08 -0.04 1.80 1.62 1js8A1 ARG 2802 HG2 -0.07 -0.04 -0.14 -0.04 1.67 1.38 1js8A1 ARG 2802 HG3 -0.18 0.09 -0.03 -0.04 1.67 1.52 1js8A1 ARG 2802 HD2 -0.01 0.06 -0.02 -0.04 3.22 3.21 1js8A1 ARG 2802 HD3 -0.06 0.02 -0.01 -0.04 3.22 3.13 1js8A1 THR 2803 H -1.62 0.59 0.36 -0.55 8.28 7.06 1js8A1 THR 2803 HA -1.32 -0.03 0.40 -0.75 4.39 2.68 1js8A1 THR 2803 HB -0.44 0.03 -0.00 -0.04 4.32 3.87 1js8A1 THR 2803 HG23 -0.27 -0.09 0.01 -0.04 1.22 0.83 1js8A1 ILE 2804 H -0.28 0.04 0.21 -0.55 8.25 7.68 1js8A1 ILE 2804 HA -0.32 0.28 0.91 -0.75 4.18 4.30 1js8A1 ILE 2804 HB -1.09 -0.03 0.09 -0.04 1.89 0.82 1js8A1 ILE 2804 HG12 -0.17 -0.01 -0.01 -0.04 1.49 1.26 1js8A1 ILE 2804 HG13 -0.26 -0.10 -0.23 -0.04 1.21 0.58 1js8A1 ILE 2804 HG23 -0.26 0.08 -0.15 -0.04 0.93 0.56 1js8A1 ILE 2804 HD13 -0.22 -0.00 -0.21 -0.04 0.88 0.40 1js8A1 GLY 2805 H -0.18 0.02 0.04 -0.55 8.43 7.76 1js8A1 GLY 2805 HA2 -0.08 0.06 0.23 -0.51 4.01 3.71 1js8A1 GLY 2805 HA3 -0.10 0.10 0.32 -0.51 4.01 3.82 1js8A1 GLN 2806 H -0.12 0.20 -0.23 -0.55 8.47 7.77 1js8A1 GLN 2806 HA -0.12 -0.00 0.08 -0.75 4.36 3.56 1js8A1 GLN 2806 HB2 -0.09 -0.04 0.13 -0.04 2.15 2.10 1js8A1 GLN 2806 HB3 -0.11 0.21 -0.10 -0.04 2.02 1.98 1js8A1 GLN 2806 HG2 -0.23 -0.05 -0.39 -0.04 2.40 1.69 1js8A1 GLN 2806 HG3 -0.13 0.08 -0.31 -0.04 2.39 1.99 1js8A1 GLN 2806 HE21 -0.01 -0.08 -0.04 -0.04 6.97 6.81 1js8A1 GLN 2806 HE22 -0.31 0.45 -0.04 -0.04 7.69 7.76 1js8A1 SER 2807 H -0.09 0.16 0.14 -0.55 8.46 8.12 1js8A1 SER 2807 HA -0.06 0.20 0.79 -0.75 4.49 4.66 1js8A1 SER 2807 HB2 -0.06 -0.05 0.27 -0.04 3.95 4.07 1js8A1 SER 2807 HB3 -0.05 0.09 0.18 -0.04 3.93 4.11 1js8A1 ALA 2808 H -0.04 0.46 0.33 -0.55 8.40 8.61 1js8A1 ALA 2808 HA -0.02 0.19 0.68 -0.75 4.34 4.43 1js8A1 ALA 2808 HB3 -0.05 -0.00 -0.18 -0.04 1.41 1.14 1js8A1 ASP 2809 H -0.00 0.69 0.29 -0.55 8.40 8.82 1js8A1 ASP 2809 HA -0.02 0.14 0.98 -0.75 4.63 4.97 1js8A1 ASP 2809 HB2 0.05 0.04 0.09 -0.04 2.71 2.84 1js8A1 ASP 2809 HB3 0.10 0.02 -0.03 -0.04 2.70 2.75 1js8A1 VAL 2810 H -0.24 0.70 0.35 -0.55 8.24 8.50 1js8A1 VAL 2810 HA -0.16 0.29 1.14 -0.75 4.13 4.65 1js8A1 VAL 2810 HB -1.55 -0.05 0.09 -0.04 2.12 0.57 1js8A1 VAL 2810 HG13 -0.33 0.00 -0.20 -0.04 0.97 0.40 1js8A1 VAL 2810 HG23 -0.23 -0.01 -0.23 -0.04 0.95 0.44 1js8A1 ASN 2811 H -0.05 0.61 0.39 -0.55 8.53 8.93 1js8A1 ASN 2811 HA -0.13 0.33 1.11 -0.75 4.76 5.31 1js8A1 ASN 2811 HB2 0.04 -0.02 0.07 -0.04 2.88 2.93 1js8A1 ASN 2811 HB3 0.15 -0.01 0.07 -0.04 2.79 2.96 1js8A1 ASN 2811 HD21 0.02 -0.01 -0.21 -0.04 7.03 6.79 1js8A1 ASN 2811 HD22 0.00 0.10 -0.11 -0.04 7.74 7.69 1js8A1 PHE 2812 H -0.65 0.38 0.38 -0.55 8.34 7.89 1js8A1 PHE 2812 HA -0.03 0.38 0.95 -0.75 4.62 5.17 1js8A1 PHE 2812 HB2 0.04 0.05 -0.10 -0.04 3.15 3.10 1js8A1 PHE 2812 HB3 0.03 -0.01 -0.24 -0.04 3.06 2.79 1js8A1 PHE 2812 HD2 -0.11 0.05 -0.40 -0.04 7.28 6.77 1js8A1 PHE 2812 HE2 -0.18 0.02 -0.28 -0.04 7.38 6.89 1js8A1 PHE 2812 HZ -0.55 0.04 -0.31 -0.04 7.32 6.46 1js8A1 ASP 2813 H 0.15 0.53 0.38 -0.55 8.40 8.91 1js8A1 ASP 2813 HA -0.10 0.06 1.16 -0.75 4.63 5.00 1js8A1 ASP 2813 HB2 0.06 -0.04 -0.02 -0.04 2.71 2.67 1js8A1 ASP 2813 HB3 0.04 0.10 -0.03 -0.04 2.70 2.77 1js8A1 VAL 2814 H 0.01 0.66 0.28 -0.55 8.24 8.64 1js8A1 VAL 2814 HA 0.11 0.24 0.88 -0.75 4.13 4.62 1js8A1 VAL 2814 HB -0.04 -0.01 0.05 -0.04 2.12 2.08 1js8A1 VAL 2814 HG13 -0.19 0.00 -0.17 -0.04 0.97 0.57 1js8A1 VAL 2814 HG23 0.04 -0.01 -0.09 -0.04 0.95 0.85 1js8A1 CYS 2815 H 0.13 0.77 0.26 -0.55 8.50 9.11 1js8A1 CYS 2815 HA 0.04 0.31 1.11 -0.75 4.58 5.29 1js8A1 CYS 2815 HB2 0.08 -0.11 -0.05 -0.04 2.97 2.85 1js8A1 CYS 2815 HB3 0.05 0.08 -0.17 -0.04 2.97 2.89 1js8A1 THR 2816 H 0.04 0.66 0.30 -0.55 8.28 8.73 1js8A1 THR 2816 HA 0.10 0.13 0.56 -0.75 4.39 4.43 1js8A1 THR 2816 HB 0.04 -0.10 0.17 -0.04 4.32 4.39 1js8A1 THR 2816 HG23 0.02 0.04 0.07 -0.04 1.22 1.31 1js8A1 LYS 2817 H 0.06 0.26 0.24 -0.55 8.42 8.43 1js8A1 LYS 2817 HA 0.04 0.10 0.37 -0.75 4.32 4.08 1js8A1 LYS 2817 HB2 0.03 -0.04 0.10 -0.04 1.87 1.92 1js8A1 LYS 2817 HB3 0.02 0.02 0.03 -0.04 1.79 1.82 1js8A1 LYS 2817 HG2 0.05 0.14 0.08 -0.04 1.46 1.69 1js8A1 LYS 2817 HG3 0.03 -0.01 0.10 -0.04 1.46 1.54 1js8A1 LYS 2817 HD2 -0.00 -0.04 -0.15 -0.04 1.69 1.45 1js8A1 LYS 2817 HD3 0.00 -0.01 -0.02 -0.04 1.68 1.61 1js8A1 LYS 2817 HE2 0.02 -0.01 -0.04 -0.04 2.99 2.92 1js8A1 LYS 2817 HE3 -0.00 0.01 -0.15 -0.04 2.99 2.81 1js8A1 ASP 2818 H 0.03 0.05 -0.20 -0.55 8.40 7.73 1js8A1 ASP 2818 HA 0.02 0.12 0.40 -0.75 4.63 4.42 1js8A1 ASP 2818 HB2 0.01 0.04 0.10 -0.04 2.71 2.82 1js8A1 ASP 2818 HB3 0.01 -0.00 0.08 -0.04 2.70 2.75 1js8A1 GLY 2819 H 0.03 0.42 -0.67 -0.55 8.43 7.67 1js8A1 GLY 2819 HA2 0.03 0.05 0.17 -0.51 4.01 3.74 1js8A1 GLY 2819 HA3 0.02 0.15 0.69 -0.51 4.01 4.36 1js8A1 GLU 2820 H 0.03 -0.02 -0.07 -0.55 8.60 7.98 1js8A1 GLU 2820 HA 0.02 0.14 0.70 -0.75 4.29 4.40 1js8A1 GLU 2820 HB2 0.02 0.00 0.03 -0.04 2.09 2.10 1js8A1 GLU 2820 HB3 0.02 -0.09 0.14 -0.04 1.99 2.02 1js8A1 GLU 2820 HG2 0.03 0.08 -0.09 -0.04 2.34 2.32 1js8A1 GLU 2820 HG3 0.02 0.01 0.04 -0.04 2.34 2.38 1js8A1 CYS 2821 H 0.02 0.21 0.19 -0.55 8.50 8.37 1js8A1 CYS 2821 HA 0.03 0.33 1.25 -0.75 4.58 5.43 1js8A1 CYS 2821 HB2 0.03 -0.04 -0.11 -0.04 2.97 2.80 1js8A1 CYS 2821 HB3 0.03 -0.01 -0.07 -0.04 2.97 2.88 1js8A1 THR 2822 H 0.01 0.63 0.37 -0.55 8.28 8.74 1js8A1 THR 2822 HA -0.00 0.10 0.78 -0.75 4.39 4.51 1js8A1 THR 2822 HB -0.02 0.06 -0.18 -0.04 4.32 4.14 1js8A1 THR 2822 HG23 -0.01 0.04 -0.03 -0.04 1.22 1.17 1js8A1 PHE 2823 H 0.10 0.13 0.15 -0.55 8.34 8.16 1js8A1 PHE 2823 HA -0.11 0.03 0.53 -0.75 4.62 4.32 1js8A1 PHE 2823 HB2 -0.10 -0.00 0.13 -0.04 3.15 3.14 1js8A1 PHE 2823 HB3 -0.10 0.01 0.11 -0.04 3.06 3.04 1js8A1 PHE 2823 HD2 -0.10 0.00 -0.09 -0.04 7.28 7.05 1js8A1 PHE 2823 HE2 -0.11 -0.01 -0.07 -0.04 7.38 7.14 1js8A1 PHE 2823 HZ -0.16 0.01 -0.24 -0.04 7.32 6.89 1js8A1 GLY 2824 H -0.81 0.63 0.59 -0.55 8.43 8.29 1js8A1 GLY 2824 HA2 -0.23 0.09 0.89 -0.51 4.01 4.25 1js8A1 GLY 2824 HA3 -0.45 -0.01 0.25 -0.51 4.01 3.29 1js8A1 GLY 2825 H -2.04 0.32 0.33 -0.55 8.43 6.49 1js8A1 GLY 2825 HA2 -0.50 0.07 0.31 -0.51 4.01 3.39 1js8A1 GLY 2825 HA3 -1.29 0.09 0.41 -0.51 4.01 2.71 1js8A1 THR 2826 H 0.33 0.28 0.20 -0.55 8.28 8.54 1js8A1 THR 2826 HA -0.07 0.43 1.03 -0.75 4.39 5.03 1js8A1 THR 2826 HB 0.38 -0.03 -0.12 -0.04 4.32 4.51 1js8A1 THR 2826 HG23 0.16 -0.01 0.02 -0.04 1.22 1.35 1js8A1 PHE 2827 H -0.18 0.56 0.34 -0.55 8.34 8.51 1js8A1 PHE 2827 HA 0.11 0.12 0.64 -0.75 4.62 4.73 1js8A1 PHE 2827 HB2 -0.22 0.03 0.07 -0.04 3.15 2.98 1js8A1 PHE 2827 HB3 0.34 0.07 -0.13 -0.04 3.06 3.29 1js8A1 PHE 2827 HD2 -0.00 0.02 -0.36 -0.04 7.28 6.90 1js8A1 PHE 2827 HE2 -0.90 0.00 -0.22 -0.04 7.38 6.22 1js8A1 PHE 2827 HZ -0.72 0.02 -0.18 -0.04 7.32 6.40 1js8A1 CYS 2828 H 0.01 0.27 0.18 -0.55 8.50 8.40 1js8A1 CYS 2828 HA -0.04 0.25 1.16 -0.75 4.58 5.20 1js8A1 CYS 2828 HB2 -0.22 -0.04 -0.25 -0.04 2.97 2.42 1js8A1 CYS 2828 HB3 -0.14 0.07 -0.03 -0.04 2.97 2.83 1js8A1 ILE 2829 H -0.04 0.77 0.35 -0.55 8.25 8.79 1js8A1 ILE 2829 HA -0.04 0.11 0.83 -0.75 4.18 4.31 1js8A1 ILE 2829 HB 0.03 -0.03 0.13 -0.04 1.89 1.98 1js8A1 ILE 2829 HG12 0.17 0.01 -0.09 -0.04 1.49 1.54 1js8A1 ILE 2829 HG13 0.15 -0.04 -0.48 -0.04 1.21 0.80 1js8A1 ILE 2829 HG23 0.17 0.00 -0.19 -0.04 0.93 0.87 1js8A1 ILE 2829 HD13 0.17 0.01 -0.14 -0.04 0.88 0.88 1js8A1 LEU 2830 H -0.16 0.17 0.10 -0.55 8.37 7.94 1js8A1 LEU 2830 HA -0.13 0.15 0.83 -0.75 4.35 4.44 1js8A1 LEU 2830 HB2 -0.28 0.03 -0.00 -0.04 1.64 1.35 1js8A1 LEU 2830 HB3 -0.26 -0.04 0.10 -0.04 1.64 1.40 1js8A1 LEU 2830 HG -0.27 -0.03 -0.39 -0.04 1.64 0.90 1js8A1 LEU 2830 HD13 -0.17 0.04 -0.30 -0.04 0.93 0.45 1js8A1 LEU 2830 HD23 -0.34 0.00 -0.11 -0.04 0.89 0.40 1js8A1 GLY 2831 H -0.11 0.26 0.09 -0.55 8.43 8.12 1js8A1 GLY 2831 HA2 -0.15 0.15 0.37 -0.51 4.01 3.88 1js8A1 GLY 2831 HA3 -0.04 0.08 0.11 -0.51 4.01 3.66 1js8A1 GLY 2832 H -0.08 0.34 0.05 -0.55 8.43 8.19 1js8A1 GLY 2832 HA2 -0.21 0.08 0.21 -0.51 4.01 3.58 1js8A1 GLY 2832 HA3 -0.40 0.03 0.45 -0.51 4.01 3.58 1js8A1 GLU 2833 H -0.23 0.12 0.16 -0.55 8.60 8.10 1js8A1 GLU 2833 HA -0.15 0.05 0.52 -0.75 4.29 3.96 1js8A1 GLU 2833 HB2 -0.12 0.02 0.21 -0.04 2.09 2.16 1js8A1 GLU 2833 HB3 -0.11 0.01 0.08 -0.04 1.99 1.93 1js8A1 GLU 2833 HG2 -0.84 0.02 0.02 -0.04 2.34 1.50 1js8A1 GLU 2833 HG3 -0.21 0.02 0.12 -0.04 2.34 2.23 1js8A1 HIS 2834 H -0.13 0.13 0.22 -0.55 8.41 8.10 1js8A1 HIS 2834 HA 0.11 0.05 0.37 -0.75 4.63 4.41 1js8A1 HIS 2834 HB2 0.09 0.13 0.16 -0.04 3.26 3.60 1js8A1 HIS 2834 HB3 0.06 0.06 0.21 -0.04 3.20 3.50 1js8A1 HIS 2834 HD2 0.08 0.04 0.03 -0.04 6.97 7.08 1js8A1 HIS 2834 HE1 0.05 -0.00 -0.05 -0.04 7.75 7.70 1js8A1 GLU 2835 H 0.07 0.18 -0.22 -0.55 8.60 8.09 1js8A1 GLU 2835 HA 0.10 0.09 0.54 -0.75 4.29 4.26 1js8A1 GLU 2835 HB2 0.09 0.08 0.10 -0.04 2.09 2.32 1js8A1 GLU 2835 HB3 0.02 -0.08 0.06 -0.04 1.99 1.96 1js8A1 GLU 2835 HG2 0.03 -0.00 0.11 -0.04 2.34 2.43 1js8A1 GLU 2835 HG3 0.10 0.14 -0.21 -0.04 2.34 2.34 1js8A1 MET 2836 H 0.12 0.21 0.14 -0.55 8.47 8.39 1js8A1 MET 2836 HA 0.13 0.05 0.57 -0.75 4.52 4.51 1js8A1 MET 2836 HB2 0.02 -0.01 0.08 -0.04 2.15 2.20 1js8A1 MET 2836 HB3 -0.16 0.03 0.06 -0.04 2.03 1.92 1js8A1 MET 2836 HG2 0.07 0.12 0.09 -0.04 2.63 2.88 1js8A1 MET 2836 HG3 0.08 -0.04 -0.03 -0.04 2.56 2.53 1js8A1 MET 2836 HE3 0.18 0.04 -0.05 -0.04 2.10 2.23 1js8A1 PHE 2837 H 0.21 0.07 0.13 -0.55 8.34 8.20 1js8A1 PHE 2837 HA -0.07 0.01 0.47 -0.75 4.62 4.27 1js8A1 PHE 2837 HB2 -0.06 0.02 0.12 -0.04 3.15 3.18 1js8A1 PHE 2837 HB3 -0.03 -0.02 0.12 -0.04 3.06 3.08 1js8A1 PHE 2837 HD2 -0.07 -0.01 -0.09 -0.04 7.28 7.06 1js8A1 PHE 2837 HE2 -0.08 0.01 -0.06 -0.04 7.38 7.21 1js8A1 PHE 2837 HZ -0.08 0.02 -0.08 -0.04 7.32 7.13 1js8A1 TRP 2838 H -1.21 0.15 0.28 -0.55 7.97 6.64 1js8A1 TRP 2838 HA -0.51 0.11 0.57 -0.75 4.62 4.04 1js8A1 TRP 2838 HB2 -0.40 0.12 0.10 -0.04 3.23 3.00 1js8A1 TRP 2838 HB3 -0.27 0.18 -0.17 -0.04 3.23 2.93 1js8A1 TRP 2838 HD1 -0.20 0.33 -0.07 -0.04 7.22 7.24 1js8A1 TRP 2838 HE1 -0.20 -0.04 -0.03 -0.04 10.20 9.90 1js8A1 TRP 2838 HE3 -0.62 0.14 -0.34 -0.04 7.59 6.73 1js8A1 TRP 2838 HZ2 -0.17 0.01 -0.15 -0.04 7.44 7.09 1js8A1 TRP 2838 HZ3 -0.21 0.01 -0.31 -0.04 7.13 6.58 1js8A1 TRP 2838 HH2 -0.08 0.03 -0.19 -0.04 7.19 6.91 1js8A1 ALA 2839 H -0.07 0.35 0.17 -0.55 8.40 8.30 1js8A1 ALA 2839 HA -0.21 0.11 0.84 -0.75 4.34 4.32 1js8A1 ALA 2839 HB3 -0.09 0.02 0.05 -0.04 1.41 1.35 1js8A1 PHE 2840 H 0.31 0.43 0.28 -0.55 8.34 8.80 1js8A1 PHE 2840 HA 0.08 0.04 0.69 -0.75 4.62 4.67 1js8A1 PHE 2840 HB2 0.10 0.06 0.23 -0.04 3.15 3.51 1js8A1 PHE 2840 HB3 0.03 -0.07 0.09 -0.04 3.06 3.07 1js8A1 PHE 2840 HD2 0.08 -0.02 -0.02 -0.04 7.28 7.28 1js8A1 PHE 2840 HE2 -0.24 -0.00 -0.16 -0.04 7.38 6.94 1js8A1 PHE 2840 HZ -0.44 -0.02 -0.04 -0.04 7.32 6.77 1js8A1 ASP 2841 H 0.22 0.05 0.17 -0.55 8.40 8.30 1js8A1 ASP 2841 HA 0.10 0.22 0.64 -0.75 4.63 4.83 1js8A1 ASP 2841 HB2 0.07 0.02 0.19 -0.04 2.71 2.94 1js8A1 ASP 2841 HB3 0.10 0.03 0.10 -0.04 2.70 2.89 1js8A1 ARG 2842 H 0.11 0.23 -0.27 -0.55 8.46 7.98 1js8A1 ARG 2842 HA -0.01 0.15 0.57 -0.75 4.34 4.30 1js8A1 ARG 2842 HB2 -0.06 -0.02 0.09 -0.04 1.90 1.87 1js8A1 ARG 2842 HB3 -0.02 0.05 -0.23 -0.04 1.80 1.56 1js8A1 ARG 2842 HG2 -0.03 -0.18 -0.13 -0.04 1.67 1.28 1js8A1 ARG 2842 HG3 -0.12 0.19 -0.24 -0.04 1.67 1.45 1js8A1 ARG 2842 HD2 -0.10 0.16 -0.26 -0.04 3.22 2.98 1js8A1 ARG 2842 HD3 -0.07 0.02 -0.16 -0.04 3.22 2.97 1js8A1 LEU 2843 H -0.08 0.11 0.06 -0.55 8.37 7.92 1js8A1 LEU 2843 HA 0.02 0.27 0.58 -0.75 4.35 4.47 1js8A1 LEU 2843 HB2 -0.11 -0.02 -0.03 -0.04 1.64 1.43 1js8A1 LEU 2843 HB3 -0.00 0.00 -0.20 -0.04 1.64 1.40 1js8A1 LEU 2843 HG -0.08 -0.03 -0.12 -0.04 1.64 1.37 1js8A1 LEU 2843 HD13 -0.15 0.00 -0.14 -0.04 0.93 0.60 1js8A1 LEU 2843 HD23 -0.00 0.01 -0.41 -0.04 0.89 0.45 1js8A1 PHE 2844 H 0.15 0.71 0.34 -0.55 8.34 8.98 1js8A1 PHE 2844 HA -0.21 0.10 0.80 -0.75 4.62 4.55 1js8A1 PHE 2844 HB2 -0.32 -0.02 0.05 -0.04 3.15 2.83 1js8A1 PHE 2844 HB3 -0.15 0.01 0.18 -0.04 3.06 3.07 1js8A1 PHE 2844 HD2 -0.49 -0.05 -0.13 -0.04 7.28 6.58 1js8A1 PHE 2844 HE2 -0.29 0.00 -0.10 -0.04 7.38 6.95 1js8A1 PHE 2844 HZ -0.01 0.01 -0.08 -0.04 7.32 7.21 1js8A1 LYS 2845 H -0.44 0.18 0.08 -0.55 8.42 7.69 1js8A1 LYS 2845 HA -0.11 0.25 0.88 -0.75 4.32 4.58 1js8A1 LYS 2845 HB2 -0.33 0.01 0.01 -0.04 1.87 1.52 1js8A1 LYS 2845 HB3 -0.34 0.01 -0.13 -0.04 1.79 1.29 1js8A1 LYS 2845 HG2 0.07 -0.01 -0.17 -0.04 1.46 1.30 1js8A1 LYS 2845 HG3 -0.18 0.04 -0.09 -0.04 1.46 1.19 1js8A1 LYS 2845 HD2 -0.28 0.03 -0.04 -0.04 1.69 1.36 1js8A1 LYS 2845 HD3 -0.45 0.02 -0.10 -0.04 1.68 1.11 1js8A1 LYS 2845 HE2 -0.20 -0.01 -0.08 -0.04 2.99 2.66 1js8A1 LYS 2845 HE3 -0.17 0.01 -0.04 -0.04 2.99 2.75 1js8A1 TYR 2846 H 0.15 0.71 0.28 -0.55 8.29 8.87 1js8A1 TYR 2846 HA -0.03 0.14 0.85 -0.75 4.56 4.77 1js8A1 TYR 2846 HB2 0.07 0.00 -0.27 -0.04 3.06 2.82 1js8A1 TYR 2846 HB3 0.32 -0.07 -0.01 -0.04 2.98 3.18 1js8A1 TYR 2846 HD2 0.35 0.01 -0.30 -0.04 7.15 7.18 1js8A1 TYR 2846 HE2 0.26 0.21 0.03 -0.04 6.85 7.31 1js8A1 ASP 2847 H -0.04 0.20 0.13 -0.55 8.40 8.14 1js8A1 ASP 2847 HA -0.49 0.12 0.67 -0.75 4.63 4.17 1js8A1 ASP 2847 HB2 -0.08 0.06 0.09 -0.04 2.71 2.74 1js8A1 ASP 2847 HB3 -0.09 0.03 0.20 -0.04 2.70 2.79 1js8A1 ILE 2848 H -0.21 0.64 0.43 -0.55 8.25 8.57 1js8A1 ILE 2848 HA 0.06 0.28 1.02 -0.75 4.18 4.78 1js8A1 ILE 2848 HB 0.01 -0.09 0.13 -0.04 1.89 1.90 1js8A1 ILE 2848 HG12 -0.03 0.01 -0.17 -0.04 1.49 1.26 1js8A1 ILE 2848 HG13 -0.08 -0.02 -0.25 -0.04 1.21 0.81 1js8A1 ILE 2848 HG23 0.25 0.05 -0.21 -0.04 0.93 0.98 1js8A1 ILE 2848 HD13 0.04 0.01 -0.18 -0.04 0.88 0.71 1js8A1 THR 2849 H -0.19 0.19 0.03 -0.55 8.28 7.77 1js8A1 THR 2849 HA -0.12 0.04 0.37 -0.75 4.39 3.92 1js8A1 THR 2849 HB -0.10 0.02 0.14 -0.04 4.32 4.34 1js8A1 THR 2849 HG23 -0.06 0.04 -0.00 -0.04 1.22 1.16 1js8A1 THR 2850 H -0.03 0.13 -0.24 -0.55 8.28 7.60 1js8A1 THR 2850 HA 0.01 0.07 0.33 -0.75 4.39 4.04 1js8A1 THR 2850 HB 0.03 0.03 0.06 -0.04 4.32 4.40 1js8A1 THR 2850 HG23 0.07 0.02 -0.15 -0.04 1.22 1.11 1js8A1 SER 2851 H -0.01 0.19 -0.15 -0.55 8.46 7.95 1js8A1 SER 2851 HA 0.02 0.06 0.40 -0.75 4.49 4.22 1js8A1 SER 2851 HB2 -0.05 0.05 0.10 -0.04 3.95 4.01 1js8A1 SER 2851 HB3 -0.04 -0.03 -0.02 -0.04 3.93 3.79 1js8A1 LEU 2852 H -0.10 0.47 -0.19 -0.55 8.37 8.00 1js8A1 LEU 2852 HA -0.22 -0.00 0.29 -0.75 4.35 3.66 1js8A1 LEU 2852 HB2 -0.12 0.17 0.09 -0.04 1.64 1.73 1js8A1 LEU 2852 HB3 -0.18 0.05 -0.21 -0.04 1.64 1.26 1js8A1 LEU 2852 HG -0.21 0.10 -0.14 -0.04 1.64 1.35 1js8A1 LEU 2852 HD13 -0.17 -0.01 -0.27 -0.04 0.93 0.44 1js8A1 LEU 2852 HD23 -0.75 -0.03 -0.19 -0.04 0.89 -0.12 1js8A1 LYS 2853 H -0.05 0.53 -0.04 -0.55 8.42 8.31 1js8A1 LYS 2853 HA -0.04 0.05 0.32 -0.75 4.32 3.89 1js8A1 LYS 2853 HB2 0.00 0.12 0.07 -0.04 1.87 2.03 1js8A1 LYS 2853 HB3 -0.03 -0.04 0.01 -0.04 1.79 1.70 1js8A1 LYS 2853 HG2 -0.03 0.31 0.07 -0.04 1.46 1.76 1js8A1 LYS 2853 HG3 -0.02 -0.07 -0.06 -0.04 1.46 1.27 1js8A1 LYS 2853 HD2 -0.02 -0.01 0.01 -0.04 1.69 1.63 1js8A1 LYS 2853 HD3 -0.03 0.02 0.00 -0.04 1.68 1.63 1js8A1 LYS 2853 HE2 -0.01 -0.03 -0.01 -0.04 2.99 2.90 1js8A1 LYS 2853 HE3 -0.03 -0.02 -0.02 -0.04 2.99 2.88 1js8A1 HIS 2854 H 0.08 0.38 -0.50 -0.55 8.41 7.82 1js8A1 HIS 2854 HA -0.02 0.05 0.52 -0.75 4.63 4.42 1js8A1 HIS 2854 HB2 -0.02 0.17 0.16 -0.04 3.26 3.53 1js8A1 HIS 2854 HB3 -0.02 0.04 0.06 -0.04 3.20 3.23 1js8A1 HIS 2854 HD2 0.01 -0.01 -0.01 -0.04 6.97 6.91 1js8A1 HIS 2854 HE1 0.00 -0.02 0.01 -0.04 7.75 7.69 1js8A1 LEU 2855 H 0.02 0.52 -0.06 -0.55 8.37 8.31 1js8A1 LEU 2855 HA 0.04 0.07 0.51 -0.75 4.35 4.21 1js8A1 LEU 2855 HB2 -0.06 0.02 -0.00 -0.04 1.64 1.56 1js8A1 LEU 2855 HB3 -0.01 -0.10 0.07 -0.04 1.64 1.56 1js8A1 LEU 2855 HG 0.02 0.07 -0.06 -0.04 1.64 1.63 1js8A1 LEU 2855 HD13 -0.05 0.00 -0.23 -0.04 0.93 0.61 1js8A1 LEU 2855 HD23 0.03 -0.03 -0.23 -0.04 0.89 0.63 1js8A1 ARG 2856 H -0.04 0.18 -1.01 -0.55 8.46 7.04 1js8A1 ARG 2856 HA -0.04 0.09 0.23 -0.75 4.34 3.86 1js8A1 ARG 2856 HB2 -0.03 -0.01 -0.47 -0.04 1.90 1.35 1js8A1 ARG 2856 HB3 -0.03 -0.07 0.13 -0.04 1.80 1.79 1js8A1 ARG 2856 HG2 -0.03 -0.09 0.04 -0.04 1.67 1.55 1js8A1 ARG 2856 HG3 -0.05 0.13 0.06 -0.04 1.67 1.77 1js8A1 ARG 2856 HD2 -0.03 -0.04 -0.04 -0.04 3.22 3.06 1js8A1 ARG 2856 HD3 -0.04 -0.07 0.00 -0.04 3.22 3.07 1js8A1 LEU 2857 H -0.08 0.44 -0.32 -0.55 8.37 7.88 1js8A1 LEU 2857 HA -0.04 0.08 0.63 -0.75 4.35 4.27 1js8A1 LEU 2857 HB2 -0.24 -0.05 -0.07 -0.04 1.64 1.24 1js8A1 LEU 2857 HB3 -0.11 0.05 -0.10 -0.04 1.64 1.43 1js8A1 LEU 2857 HG -0.05 0.17 -0.21 -0.04 1.64 1.50 1js8A1 LEU 2857 HD13 -0.20 -0.02 -0.19 -0.04 0.93 0.48 1js8A1 LEU 2857 HD23 0.06 -0.02 -0.04 -0.04 0.89 0.86 1js8A1 ASP 2858 H -0.06 0.11 0.12 -0.55 8.40 8.03 1js8A1 ASP 2858 HA -0.03 0.22 0.78 -0.75 4.63 4.84 1js8A1 ASP 2858 HB2 -0.14 0.10 0.01 -0.04 2.71 2.64 1js8A1 ASP 2858 HB3 -0.49 -0.11 -0.05 -0.04 2.70 2.01 1js8A1 ALA 2859 H 0.08 0.17 0.06 -0.55 8.40 8.16 1js8A1 ALA 2859 HA 0.16 0.08 0.21 -0.75 4.34 4.03 1js8A1 ALA 2859 HB3 0.14 0.00 0.03 -0.04 1.41 1.54 1js8A1 HIS 2860 H 0.15 -0.03 -0.35 -0.55 8.41 7.63 1js8A1 HIS 2860 HA 0.04 0.24 0.58 -0.75 4.63 4.74 1js8A1 HIS 2860 HB2 0.02 0.02 0.10 -0.04 3.26 3.37 1js8A1 HIS 2860 HB3 0.03 -0.01 -0.01 -0.04 3.20 3.17 1js8A1 HIS 2860 HD2 0.02 0.02 -0.08 -0.04 6.97 6.88 1js8A1 HIS 2860 HE1 0.02 0.01 -0.03 -0.04 7.75 7.71 1js8A1 ASP 2861 H -0.04 0.47 -0.37 -0.55 8.40 7.91 1js8A1 ASP 2861 HA -0.04 0.02 0.56 -0.75 4.63 4.41 1js8A1 ASP 2861 HB2 0.10 0.14 0.10 -0.04 2.71 3.01 1js8A1 ASP 2861 HB3 0.09 0.07 0.04 -0.04 2.70 2.86 1js8A1 ASP 2862 H 0.02 0.08 0.17 -0.55 8.40 8.12 1js8A1 ASP 2862 HA -0.18 0.20 0.81 -0.75 4.63 4.71 1js8A1 ASP 2862 HB2 -0.03 0.03 0.10 -0.04 2.71 2.76 1js8A1 ASP 2862 HB3 -0.01 -0.08 0.18 -0.04 2.70 2.75 1js8A1 PHE 2863 H -0.51 0.35 0.17 -0.55 8.34 7.80 1js8A1 PHE 2863 HA -0.00 0.04 0.57 -0.75 4.62 4.47 1js8A1 PHE 2863 HB2 0.00 0.13 -0.01 -0.04 3.15 3.23 1js8A1 PHE 2863 HB3 -0.01 -0.04 -0.15 -0.04 3.06 2.82 1js8A1 PHE 2863 HD2 -0.02 -0.00 -0.46 -0.04 7.28 6.76 1js8A1 PHE 2863 HE2 -0.03 0.07 -0.16 -0.04 7.38 7.23 1js8A1 PHE 2863 HZ -0.03 -0.04 -0.13 -0.04 7.32 7.08 1js8A1 ASP 2864 H 0.18 0.65 0.24 -0.55 8.40 8.93 1js8A1 ASP 2864 HA 0.02 0.23 1.01 -0.75 4.63 5.14 1js8A1 ASP 2864 HB2 0.07 -0.02 -0.07 -0.04 2.71 2.65 1js8A1 ASP 2864 HB3 0.05 0.04 -0.06 -0.04 2.70 2.68 1js8A1 ILE 2865 H 0.05 0.27 0.15 -0.55 8.25 8.17 1js8A1 ILE 2865 HA 0.14 0.29 0.96 -0.75 4.18 4.81 1js8A1 ILE 2865 HB -0.02 0.01 0.12 -0.04 1.89 1.96 1js8A1 ILE 2865 HG12 0.17 -0.05 -0.42 -0.04 1.49 1.14 1js8A1 ILE 2865 HG13 -0.02 0.05 -0.14 -0.04 1.21 1.06 1js8A1 ILE 2865 HG23 -0.06 -0.01 -0.17 -0.04 0.93 0.65 1js8A1 ILE 2865 HD13 0.06 -0.01 -0.13 -0.04 0.88 0.77 1js8A1 LYS 2866 H 0.13 0.62 0.23 -0.55 8.42 8.84 1js8A1 LYS 2866 HA 0.07 0.17 1.01 -0.75 4.32 4.82 1js8A1 LYS 2866 HB2 0.07 -0.01 0.03 -0.04 1.87 1.92 1js8A1 LYS 2866 HB3 0.07 -0.02 -0.04 -0.04 1.79 1.76 1js8A1 LYS 2866 HG2 0.04 -0.00 -0.06 -0.04 1.46 1.41 1js8A1 LYS 2866 HG3 0.05 0.04 0.05 -0.04 1.46 1.56 1js8A1 LYS 2866 HD2 0.05 0.05 -0.22 -0.04 1.69 1.52 1js8A1 LYS 2866 HD3 0.05 -0.02 -0.20 -0.04 1.68 1.47 1js8A1 LYS 2866 HE2 0.03 -0.00 -0.06 -0.04 2.99 2.92 1js8A1 LYS 2866 HE3 0.03 0.01 -0.04 -0.04 2.99 2.94 1js8A1 VAL 2867 H 0.09 0.21 0.16 -0.55 8.24 8.15 1js8A1 VAL 2867 HA 0.17 0.27 1.04 -0.75 4.13 4.85 1js8A1 VAL 2867 HB 0.11 0.01 0.06 -0.04 2.12 2.26 1js8A1 VAL 2867 HG13 0.13 -0.00 -0.21 -0.04 0.97 0.85 1js8A1 VAL 2867 HG23 0.19 0.02 -0.20 -0.04 0.95 0.92 1js8A1 THR 2868 H 0.06 0.71 0.35 -0.55 8.28 8.86 1js8A1 THR 2868 HA 0.04 0.14 0.91 -0.75 4.39 4.73 1js8A1 THR 2868 HB 0.03 -0.02 0.13 -0.04 4.32 4.42 1js8A1 THR 2868 HG23 0.02 -0.00 -0.12 -0.04 1.22 1.08 1js8A1 ILE 2869 H 0.04 0.24 0.15 -0.55 8.25 8.13 1js8A1 ILE 2869 HA -0.01 0.24 1.01 -0.75 4.18 4.66 1js8A1 ILE 2869 HB 0.09 0.04 0.03 -0.04 1.89 2.01 1js8A1 ILE 2869 HG12 0.03 0.02 -0.15 -0.04 1.49 1.34 1js8A1 ILE 2869 HG13 0.07 -0.05 -0.18 -0.04 1.21 1.01 1js8A1 ILE 2869 HG23 0.03 -0.01 -0.19 -0.04 0.93 0.73 1js8A1 ILE 2869 HD13 0.15 0.05 -0.16 -0.04 0.88 0.88 1js8A1 LYS 2870 H 0.00 0.73 0.32 -0.55 8.42 8.92 1js8A1 LYS 2870 HA 0.04 0.16 1.09 -0.75 4.32 4.86 1js8A1 LYS 2870 HB2 0.02 0.01 0.01 -0.04 1.87 1.87 1js8A1 LYS 2870 HB3 0.03 0.11 -0.15 -0.04 1.79 1.74 1js8A1 LYS 2870 HG2 0.04 0.00 -0.31 -0.04 1.46 1.15 1js8A1 LYS 2870 HG3 0.02 -0.06 -0.34 -0.04 1.46 1.05 1js8A1 LYS 2870 HD2 0.01 -0.03 -0.12 -0.04 1.69 1.51 1js8A1 LYS 2870 HD3 0.03 0.03 -0.14 -0.04 1.68 1.56 1js8A1 LYS 2870 HE2 0.01 0.05 -0.05 -0.04 2.99 2.96 1js8A1 LYS 2870 HE3 0.01 -0.04 -0.09 -0.04 2.99 2.82 1js8A1 GLY 2871 H 0.06 0.77 0.24 -0.55 8.43 8.95 1js8A1 GLY 2871 HA2 -0.01 0.24 0.61 -0.51 4.01 4.33 1js8A1 GLY 2871 HA3 0.01 -0.03 0.41 -0.51 4.01 3.89 1js8A1 ILE 2872 H -0.02 0.22 0.20 -0.55 8.25 8.10 1js8A1 ILE 2872 HA 0.02 0.12 0.29 -0.75 4.18 3.86 1js8A1 ILE 2872 HB 0.01 0.20 -0.01 -0.04 1.89 2.06 1js8A1 ILE 2872 HG12 -0.03 -0.08 0.14 -0.04 1.49 1.47 1js8A1 ILE 2872 HG13 -0.03 -0.02 -0.09 -0.04 1.21 1.03 1js8A1 ILE 2872 HG23 0.00 0.03 -0.05 -0.04 0.93 0.87 1js8A1 ILE 2872 HD13 -0.02 0.06 -0.06 -0.04 0.88 0.82 1js8A1 ASP 2873 H -0.05 -0.06 -0.26 -0.55 8.40 7.49 1js8A1 ASP 2873 HA -0.04 0.19 0.55 -0.75 4.63 4.58 1js8A1 ASP 2873 HB2 -0.19 0.05 0.06 -0.04 2.71 2.59 1js8A1 ASP 2873 HB3 -0.12 0.05 0.07 -0.04 2.70 2.67 1js8A1 GLY 2874 H 0.02 0.06 -0.31 -0.55 8.43 7.65 1js8A1 GLY 2874 HA2 0.05 0.08 0.18 -0.51 4.01 3.81 1js8A1 GLY 2874 HA3 0.09 0.21 0.79 -0.51 4.01 4.59 1js8A1 HIS 2875 H 0.12 -0.07 0.02 -0.55 8.41 7.94 1js8A1 HIS 2875 HA 0.01 0.16 0.75 -0.75 4.63 4.79 1js8A1 HIS 2875 HB2 0.01 -0.10 0.11 -0.04 3.26 3.24 1js8A1 HIS 2875 HB3 0.01 0.13 0.01 -0.04 3.20 3.32 1js8A1 HIS 2875 HD2 0.01 0.01 -0.00 -0.04 6.97 6.94 1js8A1 HIS 2875 HE1 0.00 0.05 -0.11 -0.04 7.75 7.65 1js8A1 VAL 2876 H 0.01 0.14 0.21 -0.55 8.24 8.05 1js8A1 VAL 2876 HA 0.05 0.21 0.75 -0.75 4.13 4.38 1js8A1 VAL 2876 HB 0.00 -0.06 0.16 -0.04 2.12 2.18 1js8A1 VAL 2876 HG13 0.02 0.02 -0.03 -0.04 0.97 0.95 1js8A1 VAL 2876 HG23 0.01 0.01 0.07 -0.04 0.95 0.99 1js8A1 LEU 2877 H 0.07 0.67 0.32 -0.55 8.37 8.89 1js8A1 LEU 2877 HA 0.12 0.09 0.75 -0.75 4.35 4.56 1js8A1 LEU 2877 HB2 0.15 -0.01 -0.09 -0.04 1.64 1.65 1js8A1 LEU 2877 HB3 0.35 0.00 0.01 -0.04 1.64 1.97 1js8A1 LEU 2877 HG 0.07 -0.02 -0.12 -0.04 1.64 1.54 1js8A1 LEU 2877 HD13 -0.02 -0.00 -0.18 -0.04 0.93 0.69 1js8A1 LEU 2877 HD23 0.12 0.01 -0.09 -0.04 0.89 0.88 1js8A1 SER 2878 H 0.03 0.12 0.13 -0.55 8.46 8.20 1js8A1 SER 2878 HA -0.02 0.08 0.41 -0.75 4.49 4.21 1js8A1 SER 2878 HB2 -0.11 0.09 0.12 -0.04 3.95 4.01 1js8A1 SER 2878 HB3 -0.32 0.03 0.13 -0.04 3.93 3.73 1js8A1 ASN 2879 H -0.01 0.18 0.21 -0.55 8.53 8.37 1js8A1 ASN 2879 HA 0.06 0.10 0.32 -0.75 4.76 4.48 1js8A1 ASN 2879 HB2 0.02 -0.04 0.20 -0.04 2.88 3.01 1js8A1 ASN 2879 HB3 0.03 0.07 0.16 -0.04 2.79 3.01 1js8A1 ASN 2879 HD21 0.05 0.51 0.22 -0.04 7.03 7.76 1js8A1 ASN 2879 HD22 0.03 -0.07 0.12 -0.04 7.74 7.77 1js8A1 LYS 2880 H -0.09 -0.09 -0.91 -0.55 8.42 6.77 1js8A1 LYS 2880 HA -0.04 0.13 0.28 -0.75 4.32 3.94 1js8A1 LYS 2880 HB2 -0.24 -0.10 -0.08 -0.04 1.87 1.41 1js8A1 LYS 2880 HB3 -0.20 0.06 -0.21 -0.04 1.79 1.39 1js8A1 LYS 2880 HG2 -0.07 0.05 -0.02 -0.04 1.46 1.39 1js8A1 LYS 2880 HG3 -0.09 -0.06 -0.03 -0.04 1.46 1.24 1js8A1 LYS 2880 HD2 -0.08 0.00 -0.02 -0.04 1.69 1.55 1js8A1 LYS 2880 HD3 -0.13 -0.03 -0.03 -0.04 1.68 1.44 1js8A1 LYS 2880 HE2 -0.09 -0.01 -0.04 -0.04 2.99 2.81 1js8A1 LYS 2880 HE3 -0.19 0.01 -0.11 -0.04 2.99 2.65 1js8A1 TYR 2881 H -0.02 0.38 -0.20 -0.55 8.29 7.91 1js8A1 TYR 2881 HA -0.02 0.06 0.50 -0.75 4.56 4.35 1js8A1 TYR 2881 HB2 0.01 0.06 0.02 -0.04 3.06 3.11 1js8A1 TYR 2881 HB3 -0.01 -0.01 -0.05 -0.04 2.98 2.87 1js8A1 TYR 2881 HD2 -0.02 0.06 -0.01 -0.04 7.15 7.13 1js8A1 TYR 2881 HE2 -0.02 -0.04 0.00 -0.04 6.85 6.75 1js8A1 LEU 2882 H 0.13 0.23 -0.40 -0.55 8.37 7.78 1js8A1 LEU 2882 HA 0.13 0.15 0.87 -0.75 4.35 4.74 1js8A1 LEU 2882 HB2 0.16 -0.13 -0.08 -0.04 1.64 1.56 1js8A1 LEU 2882 HB3 0.19 0.10 -0.12 -0.04 1.64 1.76 1js8A1 LEU 2882 HG 0.20 -0.03 -0.13 -0.04 1.64 1.64 1js8A1 LEU 2882 HD13 0.26 -0.03 -0.15 -0.04 0.93 0.97 1js8A1 LEU 2882 HD23 0.35 0.03 -0.03 -0.04 0.89 1.19 1js8A1 SER 2883 H 0.10 0.13 0.14 -0.55 8.46 8.28 1js8A1 SER 2883 HA 0.04 0.09 0.50 -0.75 4.49 4.36 1js8A1 SER 2883 HB2 0.06 -0.07 0.10 -0.04 3.95 3.99 1js8A1 SER 2883 HB3 0.02 0.08 0.07 -0.04 3.93 4.07 1js8A1 PRO 2884 HA 0.01 0.08 0.50 -0.51 4.44 4.52 1js8A1 PRO 2884 HB2 -0.03 -0.01 0.11 -0.04 2.28 2.31 1js8A1 PRO 2884 HB3 -0.02 0.03 0.14 -0.04 2.02 2.13 1js8A1 PRO 2884 HG2 -0.00 -0.01 0.11 -0.04 2.03 2.08 1js8A1 PRO 2884 HG3 0.01 0.06 0.11 -0.04 2.03 2.17 1js8A1 PRO 2884 HD2 0.00 0.05 0.22 -0.04 3.68 3.91 1js8A1 PRO 2884 HD3 0.02 0.15 0.24 -0.04 3.65 4.02 1js8A1 PRO 2885 HA -0.34 0.15 0.67 -0.51 4.44 4.41 1js8A1 PRO 2885 HB2 -0.65 0.03 0.02 -0.04 2.28 1.63 1js8A1 PRO 2885 HB3 -1.58 -0.03 0.02 -0.04 2.02 0.39 1js8A1 PRO 2885 HG2 -0.21 0.01 0.03 -0.04 2.03 1.82 1js8A1 PRO 2885 HG3 -0.28 -0.03 -0.02 -0.04 2.03 1.66 1js8A1 PRO 2885 HD2 -0.05 0.06 0.24 -0.04 3.68 3.88 1js8A1 PRO 2885 HD3 -0.01 0.16 0.14 -0.04 3.65 3.89 1js8A1 THR 2886 H -0.20 0.46 0.38 -0.55 8.28 8.37 1js8A1 THR 2886 HA -0.04 0.16 0.70 -0.75 4.39 4.46 1js8A1 THR 2886 HB 0.08 -0.09 -0.04 -0.04 4.32 4.23 1js8A1 THR 2886 HG23 0.06 0.01 -0.04 -0.04 1.22 1.21 1js8A1 VAL 2887 H 0.05 0.28 0.17 -0.55 8.24 8.19 1js8A1 VAL 2887 HA 0.00 0.40 1.05 -0.75 4.13 4.82 1js8A1 VAL 2887 HB -0.02 -0.01 0.08 -0.04 2.12 2.14 1js8A1 VAL 2887 HG13 0.17 -0.00 -0.14 -0.04 0.97 0.96 1js8A1 VAL 2887 HG23 -0.00 0.00 -0.26 -0.04 0.95 0.65 1js8A1 PHE 2888 H -0.29 0.54 0.30 -0.55 8.34 8.33 1js8A1 PHE 2888 HA 0.05 0.16 0.79 -0.75 4.62 4.87 1js8A1 PHE 2888 HB2 0.04 0.07 0.10 -0.04 3.15 3.32 1js8A1 PHE 2888 HB3 0.01 0.03 -0.08 -0.04 3.06 2.98 1js8A1 PHE 2888 HD2 0.03 0.06 -0.36 -0.04 7.28 6.97 1js8A1 PHE 2888 HE2 -0.16 -0.00 -0.28 -0.04 7.38 6.89 1js8A1 PHE 2888 HZ -0.29 -0.03 -0.19 -0.04 7.32 6.77 1js8A1 LEU 2889 H 0.22 0.18 0.20 -0.55 8.37 8.42 1js8A1 LEU 2889 HA 0.05 0.17 0.98 -0.75 4.35 4.81 1js8A1 LEU 2889 HB2 0.09 -0.02 0.02 -0.04 1.64 1.68 1js8A1 LEU 2889 HB3 0.11 0.00 0.09 -0.04 1.64 1.80 1js8A1 LEU 2889 HG 0.08 0.04 -0.23 -0.04 1.64 1.49 1js8A1 LEU 2889 HD13 0.04 0.02 -0.12 -0.04 0.93 0.83 1js8A1 LEU 2889 HD23 0.06 -0.01 -0.05 -0.04 0.89 0.84 1js8A1 ALA 2890 H 0.12 0.76 0.26 -0.55 8.40 8.99 1js8A1 ALA 2890 HA 0.20 0.16 0.82 -0.75 4.34 4.76 1js8A1 ALA 2890 HB3 0.38 -0.01 0.04 -0.04 1.41 1.78 1js8A1 PRO 2891 HA 0.06 -0.08 0.58 -0.51 4.44 4.49 1js8A1 PRO 2891 HB2 0.04 0.13 -0.03 -0.04 2.28 2.38 1js8A1 PRO 2891 HB3 0.05 -0.06 0.07 -0.04 2.02 2.04 1js8A1 PRO 2891 HG2 0.06 0.09 0.05 -0.04 2.03 2.19 1js8A1 PRO 2891 HG3 0.05 0.00 0.02 -0.04 2.03 2.07 1js8A1 PRO 2891 HD2 0.11 0.15 0.17 -0.04 3.68 4.06 1js8A1 PRO 2891 HD3 0.09 0.06 -0.19 -0.04 3.65 3.57 1js8A1 ALA 2892 H 0.04 -0.06 -0.05 -0.55 8.40 7.80 1js8A1 ALA 2892 HA 0.07 0.33 -0.22 -0.75 4.34 3.77 1js8A1 ALA 2892 HB3 0.04 -0.02 -0.10 -0.04 1.41 1.29