============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. HIS 14 0.900 6.455 -11.640 75.146 -99.200 -91.000 TYR 36 0.840 17.580 -10.558 84.528 -99.200 -91.000 HIS 38 0.900 18.990 -10.604 77.921 -99.200 -91.000 TYR 66 0.840 15.676 28.271 85.694 -99.200 -91.000 PHE 68 1.000 11.754 26.911 81.513 -99.200 -91.000 TYR 88 0.840 11.828 45.719 71.440 -99.200 -91.000 PHE 102 1.000 1.228 34.845 74.658 -99.200 -91.000 HIS 111 0.900 -6.904 47.300 84.618 -99.200 -91.000 TRP 127 1.040 16.591 32.554 77.708 -99.200 -91.000 TRP6 127 1.020 17.664 34.133 79.089 -99.200 -91.000 HIS 128 0.900 15.955 28.670 75.123 -99.200 -91.000 TRP 139 1.040 10.422 13.966 55.816 -99.200 -91.000 TRP6 139 1.020 8.417 14.585 54.744 -99.200 -91.000 TYR 143 0.840 1.898 15.648 60.565 -99.200 -91.000 TYR 145 0.840 1.426 14.862 70.609 -99.200 -91.000 TYR 146 0.840 5.290 12.476 67.366 -99.200 -91.000 TYR 161 0.840 1.087 24.049 80.729 -99.200 -91.000 TYR 190 0.840 2.779 33.140 62.272 -99.200 -91.000 HIS 214 0.900 9.339 19.438 55.127 -99.200 -91.000 TRP 235 1.040 -2.912 19.233 71.480 -99.200 -91.000 TRP6 235 1.020 -4.835 17.989 72.064 -99.200 -91.000 TRP 239 1.040 7.765 27.283 58.609 -99.200 -91.000 TRP6 239 1.020 9.116 25.384 58.205 -99.200 -91.000 TYR 244 0.840 0.463 29.270 67.983 -99.200 -91.000 PHE 249 1.000 1.759 40.959 74.119 -99.200 -91.000 HIS 279 0.900 3.544 34.619 83.220 -99.200 -91.000 PHE 288 1.000 11.508 17.720 85.894 -99.200 -91.000 PHE 291 1.000 10.336 16.660 80.722 -99.200 -91.000 HIS 299 0.900 6.838 20.601 78.671 -99.200 -91.000 TRP 317 1.040 18.573 20.240 71.088 -99.200 -91.000 TRP6 317 1.020 17.080 21.431 69.689 -99.200 -91.000 PHE 331 1.000 22.610 13.090 88.724 -99.200 -91.000 HIS 348 0.900 14.297 5.315 65.713 -99.200 -91.000 TYR 362 0.840 22.246 3.127 94.274 -99.200 -91.000 TRP 369 1.040 17.613 17.620 92.409 -99.200 -91.000 TRP6 369 1.020 17.819 15.647 91.110 -99.200 -91.000 PHE 370 1.000 14.045 9.652 94.129 -99.200 -91.000 TYR 373 0.840 13.973 11.926 88.164 -99.200 -91.000 TYR 420 0.840 13.301 5.276 90.954 -99.200 -91.000 PHE 431 1.000 11.456 -1.132 86.192 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2j9pA1 ASP 5 HA 0.02 0.05 0.15 -0.75 4.63 4.11 2j9pA1 ASP 5 HB2 0.02 -0.13 0.21 -0.04 2.71 2.77 2j9pA1 ASP 5 HB3 0.02 0.10 0.11 -0.04 2.70 2.88 2j9pA1 ALA 6 H 0.02 0.14 0.13 -0.55 8.40 8.14 2j9pA1 ALA 6 HA 0.01 0.13 0.58 -0.75 4.34 4.30 2j9pA1 ALA 6 HB3 0.00 0.03 0.09 -0.04 1.41 1.49 2j9pA1 LEU 7 H 0.01 0.11 0.04 -0.55 8.37 7.98 2j9pA1 LEU 7 HA -0.04 0.11 0.31 -0.75 4.35 3.97 2j9pA1 LEU 7 HB2 0.01 -0.00 0.10 -0.04 1.64 1.70 2j9pA1 LEU 7 HB3 0.03 0.07 -0.05 -0.04 1.64 1.65 2j9pA1 LEU 7 HG -0.03 0.07 -0.05 -0.04 1.64 1.59 2j9pA1 LEU 7 HD13 0.03 0.01 -0.15 -0.04 0.93 0.78 2j9pA1 LEU 7 HD23 -0.13 -0.00 -0.12 -0.04 0.89 0.60 2j9pA1 SER 8 H 0.07 0.13 -0.38 -0.55 8.46 7.74 2j9pA1 SER 8 HA 0.16 0.02 0.39 -0.75 4.49 4.31 2j9pA1 SER 8 HB2 0.12 0.23 0.03 -0.04 3.95 4.29 2j9pA1 SER 8 HB3 0.24 -0.03 -0.02 -0.04 3.93 4.08 2j9pA1 GLY 9 H 0.04 0.46 -0.20 -0.55 8.43 8.18 2j9pA1 GLY 9 HA2 0.04 -0.00 0.36 -0.51 4.01 3.91 2j9pA1 GLY 9 HA3 0.02 0.10 0.33 -0.51 4.01 3.95 2j9pA1 GLN 10 H -0.03 0.57 -0.20 -0.55 8.47 8.26 2j9pA1 GLN 10 HA -0.03 0.02 0.39 -0.75 4.36 3.98 2j9pA1 GLN 10 HB2 -0.08 0.10 0.08 -0.04 2.15 2.21 2j9pA1 GLN 10 HB3 -0.06 -0.03 -0.02 -0.04 2.02 1.87 2j9pA1 GLN 10 HG2 -0.03 -0.05 0.00 -0.04 2.40 2.28 2j9pA1 GLN 10 HG3 -0.03 0.22 0.06 -0.04 2.39 2.60 2j9pA1 GLN 10 HE21 -0.03 0.03 -0.14 -0.04 6.97 6.79 2j9pA1 GLN 10 HE22 -0.02 -0.04 -0.42 -0.04 7.69 7.17 2j9pA1 ILE 11 H -0.16 0.48 -0.15 -0.55 8.25 7.88 2j9pA1 ILE 11 HA -0.17 0.04 0.45 -0.75 4.18 3.74 2j9pA1 ILE 11 HB -0.75 0.07 0.10 -0.04 1.89 1.27 2j9pA1 ILE 11 HG12 -0.28 -0.05 -0.03 -0.04 1.49 1.09 2j9pA1 ILE 11 HG13 -0.32 0.23 0.05 -0.04 1.21 1.12 2j9pA1 ILE 11 HG23 -0.45 -0.02 -0.20 -0.04 0.93 0.21 2j9pA1 ILE 11 HD13 -0.56 -0.02 -0.14 -0.04 0.88 0.12 2j9pA1 ASP 12 H 0.01 0.84 -0.01 -0.55 8.40 8.69 2j9pA1 ASP 12 HA 0.10 0.00 0.38 -0.75 4.63 4.36 2j9pA1 ASP 12 HB2 0.09 0.12 0.09 -0.04 2.71 2.97 2j9pA1 ASP 12 HB3 0.10 -0.04 -0.02 -0.04 2.70 2.69 2j9pA1 LYS 13 H 0.00 0.51 -0.40 -0.55 8.42 7.98 2j9pA1 LYS 13 HA 0.02 -0.01 0.49 -0.75 4.32 4.07 2j9pA1 LYS 13 HB2 0.01 0.07 0.12 -0.04 1.87 2.03 2j9pA1 LYS 13 HB3 -0.01 0.18 0.15 -0.04 1.79 2.07 2j9pA1 LYS 13 HG2 0.01 -0.04 -0.13 -0.04 1.46 1.25 2j9pA1 LYS 13 HG3 0.01 -0.05 0.05 -0.04 1.46 1.42 2j9pA1 LYS 13 HD2 -0.00 -0.05 -0.03 -0.04 1.69 1.58 2j9pA1 LYS 13 HD3 -0.00 -0.01 -0.02 -0.04 1.68 1.61 2j9pA1 LYS 13 HE2 -0.01 -0.03 -0.08 -0.04 2.99 2.84 2j9pA1 LYS 13 HE3 -0.01 -0.04 -0.03 -0.04 2.99 2.87 2j9pA1 ILE 14 H -0.03 0.42 -0.22 -0.55 8.25 7.87 2j9pA1 ILE 14 HA 0.03 -0.01 0.41 -0.75 4.18 3.86 2j9pA1 ILE 14 HB -0.07 0.15 0.11 -0.04 1.89 2.04 2j9pA1 ILE 14 HG12 -0.04 0.35 0.12 -0.04 1.49 1.87 2j9pA1 ILE 14 HG13 -0.08 -0.07 -0.09 -0.04 1.21 0.93 2j9pA1 ILE 14 HG23 -0.05 -0.02 -0.03 -0.04 0.93 0.78 2j9pA1 ILE 14 HD13 -0.01 -0.03 -0.04 -0.04 0.88 0.76 2j9pA1 LEU 15 H -0.01 0.29 -0.43 -0.55 8.37 7.68 2j9pA1 LEU 15 HA -0.02 0.06 0.55 -0.75 4.35 4.19 2j9pA1 LEU 15 HB2 -0.02 0.08 -0.01 -0.04 1.64 1.65 2j9pA1 LEU 15 HB3 -0.08 -0.03 -0.02 -0.04 1.64 1.47 2j9pA1 LEU 15 HG -0.08 0.23 -0.05 -0.04 1.64 1.70 2j9pA1 LEU 15 HD13 -0.27 -0.03 -0.11 -0.04 0.93 0.48 2j9pA1 LEU 15 HD23 -0.14 -0.02 -0.16 -0.04 0.89 0.53 2j9pA1 ALA 16 H 0.03 0.29 -0.22 -0.55 8.40 7.96 2j9pA1 ALA 16 HA 0.04 0.00 0.36 -0.75 4.34 3.99 2j9pA1 ALA 16 HB3 0.03 -0.00 0.13 -0.04 1.41 1.53 2j9pA1 ASP 17 H 0.03 0.21 -0.06 -0.55 8.40 8.03 2j9pA1 ASP 17 HA 0.01 0.05 0.35 -0.75 4.63 4.29 2j9pA1 ASP 17 HB2 -0.03 -0.03 0.02 -0.04 2.71 2.62 2j9pA1 ASP 17 HB3 -0.00 -0.01 0.09 -0.04 2.70 2.74 2j9pA1 HIS 18 H 0.06 0.11 -0.06 -0.55 8.41 7.97 2j9pA1 HIS 18 HA -0.01 -0.01 0.37 -0.75 4.63 4.22 2j9pA1 HIS 18 HB2 -0.02 0.25 0.04 -0.04 3.26 3.49 2j9pA1 HIS 18 HB3 -0.01 -0.17 0.06 -0.04 3.20 3.04 2j9pA1 HIS 18 HD2 -0.01 -0.16 -0.00 -0.04 6.97 6.75 2j9pA1 HIS 18 HE1 -0.02 -0.00 -0.05 -0.04 7.75 7.64 2j9pA1 PRO 19 HA 0.02 0.19 0.57 -0.51 4.44 4.71 2j9pA1 PRO 19 HB2 0.00 0.01 0.09 -0.04 2.28 2.34 2j9pA1 PRO 19 HB3 -0.01 0.06 0.12 -0.04 2.02 2.15 2j9pA1 PRO 19 HG2 -0.03 -0.02 0.02 -0.04 2.03 1.96 2j9pA1 PRO 19 HG3 -0.05 0.04 0.04 -0.04 2.03 2.02 2j9pA1 PRO 19 HD2 -0.22 0.03 0.15 -0.04 3.68 3.61 2j9pA1 PRO 19 HD3 -0.07 0.16 -0.06 -0.04 3.65 3.64 2j9pA1 ALA 20 H 0.15 0.05 -0.48 -0.55 8.40 7.58 2j9pA1 ALA 20 HA 0.05 0.07 0.51 -0.75 4.34 4.21 2j9pA1 ALA 20 HB3 0.13 -0.01 -0.01 -0.04 1.41 1.48 2j9pA1 LEU 21 H 0.08 0.36 -0.25 -0.55 8.37 8.01 2j9pA1 LEU 21 HA 0.02 0.08 0.45 -0.75 4.35 4.15 2j9pA1 LEU 21 HB2 0.04 0.30 0.05 -0.04 1.64 1.99 2j9pA1 LEU 21 HB3 0.02 -0.01 -0.01 -0.04 1.64 1.59 2j9pA1 LEU 21 HG -0.03 -0.03 -0.14 -0.04 1.64 1.40 2j9pA1 LEU 21 HD13 -0.04 -0.04 -0.25 -0.04 0.93 0.56 2j9pA1 LEU 21 HD23 -0.06 0.02 -0.05 -0.04 0.89 0.76 2j9pA1 GLU 22 H 0.03 0.19 -0.48 -0.55 8.60 7.80 2j9pA1 GLU 22 HA 0.03 0.02 0.45 -0.75 4.29 4.04 2j9pA1 GLU 22 HB2 0.02 0.10 0.19 -0.04 2.09 2.36 2j9pA1 GLU 22 HB3 0.02 -0.05 0.04 -0.04 1.99 1.96 2j9pA1 GLU 22 HG2 0.02 0.03 0.07 -0.04 2.34 2.42 2j9pA1 GLU 22 HG3 0.02 -0.01 0.16 -0.04 2.34 2.47 2j9pA1 GLY 23 H 0.02 0.17 0.31 -0.55 8.43 8.39 2j9pA1 GLY 23 HA2 0.02 -0.07 0.39 -0.51 4.01 3.84 2j9pA1 GLY 23 HA3 0.01 0.07 0.66 -0.51 4.01 4.24 2j9pA1 ALA 24 H 0.02 0.54 -0.29 -0.55 8.40 8.13 2j9pA1 ALA 24 HA 0.02 0.13 0.82 -0.75 4.34 4.55 2j9pA1 ALA 24 HB3 0.01 0.04 -0.04 -0.04 1.41 1.38 2j9pA1 MET 25 H 0.02 0.59 0.21 -0.55 8.47 8.74 2j9pA1 MET 25 HA 0.05 0.17 0.87 -0.75 4.52 4.86 2j9pA1 MET 25 HB2 0.05 -0.01 0.00 -0.04 2.15 2.15 2j9pA1 MET 25 HB3 0.03 0.07 -0.12 -0.04 2.03 1.97 2j9pA1 MET 25 HG2 0.02 0.01 -0.17 -0.04 2.63 2.45 2j9pA1 MET 25 HG3 0.03 -0.10 -0.06 -0.04 2.56 2.39 2j9pA1 MET 25 HE3 0.02 0.00 -0.07 -0.04 2.10 2.01 2j9pA1 ALA 26 H 0.09 0.22 0.15 -0.55 8.40 8.31 2j9pA1 ALA 26 HA 0.01 0.31 1.13 -0.75 4.34 5.03 2j9pA1 ALA 26 HB3 -0.12 -0.00 -0.06 -0.04 1.41 1.18 2j9pA1 GLY 27 H 0.04 0.75 0.34 -0.55 8.43 9.02 2j9pA1 GLY 27 HA2 0.12 0.36 1.01 -0.51 4.01 4.99 2j9pA1 GLY 27 HA3 0.06 -0.04 0.39 -0.51 4.01 3.91 2j9pA1 ILE 28 H 0.15 0.65 0.26 -0.55 8.25 8.76 2j9pA1 ILE 28 HA 0.11 0.38 1.15 -0.75 4.18 5.06 2j9pA1 ILE 28 HB 0.27 -0.07 -0.03 -0.04 1.89 2.02 2j9pA1 ILE 28 HG12 0.05 0.01 -0.02 -0.04 1.49 1.50 2j9pA1 ILE 28 HG13 0.04 -0.10 -0.78 -0.04 1.21 0.33 2j9pA1 ILE 28 HG23 0.17 0.01 -0.26 -0.04 0.93 0.80 2j9pA1 ILE 28 HD13 -0.05 0.01 -0.17 -0.04 0.88 0.63 2j9pA1 THR 29 H 0.13 0.60 0.35 -0.55 8.28 8.82 2j9pA1 THR 29 HA 0.14 0.31 1.09 -0.75 4.39 5.17 2j9pA1 THR 29 HB 0.06 0.08 -0.02 -0.04 4.32 4.41 2j9pA1 THR 29 HG23 0.04 0.01 -0.10 -0.04 1.22 1.13 2j9pA1 VAL 30 H 0.15 0.60 0.39 -0.55 8.24 8.84 2j9pA1 VAL 30 HA 0.16 0.36 1.06 -0.75 4.13 4.96 2j9pA1 VAL 30 HB 0.14 -0.15 0.08 -0.04 2.12 2.14 2j9pA1 VAL 30 HG13 0.07 0.02 -0.08 -0.04 0.97 0.93 2j9pA1 VAL 30 HG23 0.07 0.00 -0.22 -0.04 0.95 0.76 2j9pA1 ARG 31 H 0.09 0.80 0.36 -0.55 8.46 9.16 2j9pA1 ARG 31 HA 0.02 0.19 0.97 -0.75 4.34 4.77 2j9pA1 ARG 31 HB2 0.01 0.03 -0.19 -0.04 1.90 1.71 2j9pA1 ARG 31 HB3 -0.07 0.07 -0.48 -0.04 1.80 1.28 2j9pA1 ARG 31 HG2 0.01 -0.02 -0.51 -0.04 1.67 1.11 2j9pA1 ARG 31 HG3 0.04 -0.05 -0.46 -0.04 1.67 1.16 2j9pA1 ARG 31 HD2 0.01 -0.12 -0.35 -0.04 3.22 2.73 2j9pA1 ARG 31 HD3 0.01 0.14 -0.30 -0.04 3.22 3.02 2j9pA1 SER 32 H -0.02 0.52 0.20 -0.55 8.46 8.61 2j9pA1 SER 32 HA 0.05 0.16 0.65 -0.75 4.49 4.60 2j9pA1 SER 32 HB2 0.00 0.15 0.19 -0.04 3.95 4.25 2j9pA1 SER 32 HB3 -0.04 -0.17 0.25 -0.04 3.93 3.92 2j9pA1 ALA 33 H 0.10 0.59 0.41 -0.55 8.40 8.95 2j9pA1 ALA 33 HA 0.27 0.12 0.39 -0.75 4.34 4.37 2j9pA1 ALA 33 HB3 0.13 -0.00 -0.09 -0.04 1.41 1.40 2j9pA1 GLU 34 H 0.09 -0.09 -0.16 -0.55 8.60 7.89 2j9pA1 GLU 34 HA 0.10 0.22 0.57 -0.75 4.29 4.42 2j9pA1 GLU 34 HB2 0.04 0.00 0.10 -0.04 2.09 2.20 2j9pA1 GLU 34 HB3 0.04 -0.11 0.14 -0.04 1.99 2.02 2j9pA1 GLU 34 HG2 0.04 0.02 -0.24 -0.04 2.34 2.12 2j9pA1 GLU 34 HG3 0.03 0.05 0.03 -0.04 2.34 2.41 2j9pA1 THR 35 H 0.01 -0.10 -0.03 -0.55 8.28 7.61 2j9pA1 THR 35 HA 0.03 0.36 1.01 -0.75 4.39 5.03 2j9pA1 THR 35 HB -0.05 0.04 0.13 -0.04 4.32 4.40 2j9pA1 THR 35 HG23 0.01 0.01 -0.09 -0.04 1.22 1.11 2j9pA1 GLY 36 H -0.32 0.48 -0.08 -0.55 8.43 7.97 2j9pA1 GLY 36 HA2 -0.87 0.10 0.25 -0.51 4.01 2.98 2j9pA1 GLY 36 HA3 -1.37 0.12 0.37 -0.51 4.01 2.62 2j9pA1 ALA 37 H -0.18 -0.11 -0.55 -0.55 8.40 7.02 2j9pA1 ALA 37 HA -0.10 0.11 0.48 -0.75 4.34 4.07 2j9pA1 ALA 37 HB3 -0.05 0.01 0.01 -0.04 1.41 1.34 2j9pA1 VAL 38 H -0.04 0.14 0.19 -0.55 8.24 7.97 2j9pA1 VAL 38 HA 0.00 0.23 0.71 -0.75 4.13 4.32 2j9pA1 VAL 38 HB -0.01 0.04 0.09 -0.04 2.12 2.20 2j9pA1 VAL 38 HG13 -0.03 -0.01 0.08 -0.04 0.97 0.97 2j9pA1 VAL 38 HG23 0.01 -0.02 -0.14 -0.04 0.95 0.75 2j9pA1 LEU 39 H 0.05 0.64 0.38 -0.55 8.37 8.89 2j9pA1 LEU 39 HA 0.03 0.13 0.72 -0.75 4.35 4.48 2j9pA1 LEU 39 HB2 0.07 0.00 -0.08 -0.04 1.64 1.59 2j9pA1 LEU 39 HB3 0.05 -0.04 0.07 -0.04 1.64 1.67 2j9pA1 LEU 39 HG 0.03 0.02 -0.08 -0.04 1.64 1.57 2j9pA1 LEU 39 HD13 0.03 -0.01 -0.09 -0.04 0.93 0.81 2j9pA1 LEU 39 HD23 0.01 -0.02 -0.21 -0.04 0.89 0.63 2j9pA1 TYR 40 H 0.12 0.30 0.17 -0.55 8.29 8.32 2j9pA1 TYR 40 HA 0.01 0.12 0.51 -0.75 4.56 4.45 2j9pA1 TYR 40 HB2 0.01 0.10 -0.20 -0.04 3.06 2.93 2j9pA1 TYR 40 HB3 0.02 -0.06 -0.12 -0.04 2.98 2.77 2j9pA1 TYR 40 HD2 0.03 -0.06 -0.30 -0.04 7.15 6.78 2j9pA1 TYR 40 HE2 0.05 0.01 -0.14 -0.04 6.85 6.72 2j9pA1 GLU 41 H -0.67 0.31 0.16 -0.55 8.60 7.86 2j9pA1 GLU 41 HA -0.02 0.47 0.93 -0.75 4.29 4.92 2j9pA1 GLU 41 HB2 -0.04 -0.06 0.13 -0.04 2.09 2.08 2j9pA1 GLU 41 HB3 -0.06 0.02 -0.24 -0.04 1.99 1.67 2j9pA1 GLU 41 HG2 -0.09 0.06 -0.05 -0.04 2.34 2.22 2j9pA1 GLU 41 HG3 -0.18 0.03 0.03 -0.04 2.34 2.17 2j9pA1 HIS 42 H 0.07 0.67 0.29 -0.55 8.41 8.89 2j9pA1 HIS 42 HA -0.11 0.12 0.78 -0.75 4.63 4.66 2j9pA1 HIS 42 HB2 0.03 0.04 -0.13 -0.04 3.26 3.16 2j9pA1 HIS 42 HB3 0.11 -0.06 0.11 -0.04 3.20 3.32 2j9pA1 HIS 42 HD2 0.08 0.00 -0.01 -0.04 6.97 7.00 2j9pA1 HIS 42 HE1 0.02 -0.01 0.04 -0.04 7.75 7.75 2j9pA1 SER 43 H -0.16 0.21 0.15 -0.55 8.46 8.11 2j9pA1 SER 43 HA -0.04 0.02 0.38 -0.75 4.49 4.10 2j9pA1 SER 43 HB2 0.16 0.40 0.22 -0.04 3.95 4.69 2j9pA1 SER 43 HB3 0.04 -0.04 0.25 -0.04 3.93 4.14 2j9pA1 GLY 44 H -0.02 0.08 -0.37 -0.55 8.43 7.57 2j9pA1 GLY 44 HA2 0.04 0.03 0.20 -0.51 4.01 3.77 2j9pA1 GLY 44 HA3 0.01 0.09 0.19 -0.51 4.01 3.79 2j9pA1 ASP 45 H -0.01 0.07 -0.41 -0.55 8.40 7.51 2j9pA1 ASP 45 HA 0.01 0.13 0.92 -0.75 4.63 4.94 2j9pA1 ASP 45 HB2 0.00 0.05 0.12 -0.04 2.71 2.84 2j9pA1 ASP 45 HB3 -0.00 -0.01 -0.07 -0.04 2.70 2.57 2j9pA1 THR 46 H 0.01 0.41 -0.18 -0.55 8.28 7.97 2j9pA1 THR 46 HA 0.01 0.13 0.86 -0.75 4.39 4.63 2j9pA1 THR 46 HB 0.01 0.05 0.06 -0.04 4.32 4.39 2j9pA1 THR 46 HG23 -0.00 -0.03 -0.01 -0.04 1.22 1.14 2j9pA1 ARG 47 H 0.01 0.16 0.10 -0.55 8.46 8.18 2j9pA1 ARG 47 HA 0.02 -0.08 0.02 -0.75 4.34 3.54 2j9pA1 ARG 47 HB2 0.01 0.01 0.12 -0.04 1.90 2.00 2j9pA1 ARG 47 HB3 0.01 0.02 -0.05 -0.04 1.80 1.74 2j9pA1 ARG 47 HG2 0.02 -0.11 -0.17 -0.04 1.67 1.36 2j9pA1 ARG 47 HG3 0.02 0.04 -0.09 -0.04 1.67 1.60 2j9pA1 ARG 47 HD2 0.01 -0.03 -0.07 -0.04 3.22 3.09 2j9pA1 ARG 47 HD3 0.02 -0.06 -0.12 -0.04 3.22 3.02 2j9pA1 MET 48 H 0.02 0.44 0.27 -0.55 8.47 8.66 2j9pA1 MET 48 HA 0.02 0.13 0.68 -0.75 4.52 4.60 2j9pA1 MET 48 HB2 0.02 0.01 -0.01 -0.04 2.15 2.12 2j9pA1 MET 48 HB3 0.02 -0.03 -0.04 -0.04 2.03 1.94 2j9pA1 MET 48 HG2 0.03 -0.03 -0.04 -0.04 2.63 2.55 2j9pA1 MET 48 HG3 0.02 0.24 -0.63 -0.04 2.56 2.15 2j9pA1 MET 48 HE3 0.02 0.00 -0.28 -0.04 2.10 1.81 2j9pA1 ARG 49 H 0.02 0.10 0.11 -0.55 8.46 8.14 2j9pA1 ARG 49 HA 0.00 0.42 0.56 -0.75 4.34 4.57 2j9pA1 ARG 49 HB2 0.03 -0.08 0.16 -0.04 1.90 1.98 2j9pA1 ARG 49 HB3 -0.01 -0.09 -0.02 -0.04 1.80 1.64 2j9pA1 ARG 49 HG2 0.04 0.19 0.06 -0.04 1.67 1.92 2j9pA1 ARG 49 HG3 0.04 -0.06 0.06 -0.04 1.67 1.68 2j9pA1 ARG 49 HD2 0.25 -0.11 0.07 -0.04 3.22 3.39 2j9pA1 ARG 49 HD3 0.19 0.10 0.16 -0.04 3.22 3.63 2j9pA1 PRO 50 HA -0.02 0.12 0.42 -0.51 4.44 4.45 2j9pA1 PRO 50 HB2 -0.02 -0.07 -0.20 -0.04 2.28 1.95 2j9pA1 PRO 50 HB3 -0.01 0.03 -0.12 -0.04 2.02 1.89 2j9pA1 PRO 50 HG2 -0.03 0.02 0.03 -0.04 2.03 2.02 2j9pA1 PRO 50 HG3 -0.00 -0.02 -0.13 -0.04 2.03 1.83 2j9pA1 PRO 50 HD2 -0.02 0.20 0.06 -0.04 3.68 3.89 2j9pA1 PRO 50 HD3 -0.00 0.27 0.14 -0.04 3.65 4.02 2j9pA1 ALA 51 H -0.06 0.15 -0.11 -0.55 8.40 7.83 2j9pA1 ALA 51 HA -0.11 0.27 0.24 -0.75 4.34 3.98 2j9pA1 ALA 51 HB3 -0.08 0.02 -0.09 -0.04 1.41 1.22 2j9pA1 SER 52 H -0.08 -0.04 0.21 -0.55 8.46 8.00 2j9pA1 SER 52 HA -0.06 0.24 0.40 -0.75 4.49 4.32 2j9pA1 SER 52 HB2 -0.09 0.08 0.33 -0.04 3.95 4.23 2j9pA1 SER 52 HB3 -0.09 0.05 0.23 -0.04 3.93 4.08 2j9pA1 SER 53 H -0.06 0.32 -0.76 -0.55 8.46 7.41 2j9pA1 SER 53 HA -0.08 0.15 0.25 -0.75 4.49 4.05 2j9pA1 SER 53 HB2 -0.04 0.12 -0.12 -0.04 3.95 3.86 2j9pA1 SER 53 HB3 -0.05 -0.06 -0.10 -0.04 3.93 3.67 2j9pA1 LEU 54 H -0.04 0.50 -0.53 -0.55 8.37 7.76 2j9pA1 LEU 54 HA 0.00 0.05 0.25 -0.75 4.35 3.90 2j9pA1 LEU 54 HB2 -0.01 0.05 -0.06 -0.04 1.64 1.58 2j9pA1 LEU 54 HB3 -0.00 0.01 -0.36 -0.04 1.64 1.25 2j9pA1 LEU 54 HG 0.04 -0.04 -0.14 -0.04 1.64 1.45 2j9pA1 LEU 54 HD13 0.02 0.01 -0.09 -0.04 0.93 0.82 2j9pA1 LEU 54 HD23 0.03 -0.02 -0.29 -0.04 0.89 0.57 2j9pA1 LYS 55 H -0.04 0.50 -0.32 -0.55 8.42 8.00 2j9pA1 LYS 55 HA 0.05 0.08 0.41 -0.75 4.32 4.11 2j9pA1 LYS 55 HB2 -0.18 0.24 0.10 -0.04 1.87 1.99 2j9pA1 LYS 55 HB3 -0.31 -0.05 0.00 -0.04 1.79 1.39 2j9pA1 LYS 55 HG2 0.12 -0.07 0.14 -0.04 1.46 1.62 2j9pA1 LYS 55 HG3 -0.02 0.16 0.16 -0.04 1.46 1.73 2j9pA1 LYS 55 HD2 -0.30 0.09 -0.02 -0.04 1.69 1.41 2j9pA1 LYS 55 HD3 0.17 -0.06 -0.13 -0.04 1.68 1.63 2j9pA1 LYS 55 HE2 -0.06 0.05 0.08 -0.04 2.99 3.02 2j9pA1 LYS 55 HE3 -0.05 -0.03 -0.21 -0.04 2.99 2.66 2j9pA1 LEU 56 H -0.05 0.38 -0.67 -0.55 8.37 7.48 2j9pA1 LEU 56 HA 0.02 0.05 0.26 -0.75 4.35 3.92 2j9pA1 LEU 56 HB2 -0.01 0.51 0.11 -0.04 1.64 2.20 2j9pA1 LEU 56 HB3 0.05 -0.06 -0.12 -0.04 1.64 1.47 2j9pA1 LEU 56 HG 0.11 -0.02 -0.01 -0.04 1.64 1.67 2j9pA1 LEU 56 HD13 -0.08 -0.00 0.00 -0.04 0.93 0.81 2j9pA1 LEU 56 HD23 -0.09 0.03 -0.00 -0.04 0.89 0.78 2j9pA1 LEU 57 H 0.05 0.69 -0.43 -0.55 8.37 8.14 2j9pA1 LEU 57 HA 0.10 0.11 0.65 -0.75 4.35 4.46 2j9pA1 LEU 57 HB2 0.07 0.14 0.08 -0.04 1.64 1.89 2j9pA1 LEU 57 HB3 0.10 -0.05 -0.08 -0.04 1.64 1.56 2j9pA1 LEU 57 HG 0.05 0.02 -0.12 -0.04 1.64 1.55 2j9pA1 LEU 57 HD13 0.05 -0.02 -0.09 -0.04 0.93 0.83 2j9pA1 LEU 57 HD23 0.08 -0.00 -0.10 -0.04 0.89 0.83 2j9pA1 THR 58 H 0.08 0.31 0.04 -0.55 8.28 8.16 2j9pA1 THR 58 HA 0.10 0.01 0.34 -0.75 4.39 4.09 2j9pA1 THR 58 HB 0.17 0.10 0.15 -0.04 4.32 4.71 2j9pA1 THR 58 HG23 0.09 -0.03 -0.08 -0.04 1.22 1.16 2j9pA1 ALA 59 H 0.09 0.70 -0.18 -0.55 8.40 8.46 2j9pA1 ALA 59 HA 0.29 0.00 0.28 -0.75 4.34 4.16 2j9pA1 ALA 59 HB3 -0.13 0.02 -0.06 -0.04 1.41 1.21 2j9pA1 ALA 60 H 0.27 0.27 -0.38 -0.55 8.40 8.02 2j9pA1 ALA 60 HA -0.11 0.02 0.34 -0.75 4.34 3.84 2j9pA1 ALA 60 HB3 -0.09 0.03 0.06 -0.04 1.41 1.37 2j9pA1 ALA 61 H 0.17 0.69 -0.10 -0.55 8.40 8.62 2j9pA1 ALA 61 HA 0.31 0.03 0.34 -0.75 4.34 4.26 2j9pA1 ALA 61 HB3 0.14 0.01 0.08 -0.04 1.41 1.60 2j9pA1 ALA 62 H 0.07 0.65 -0.25 -0.55 8.40 8.32 2j9pA1 ALA 62 HA -0.05 -0.04 0.41 -0.75 4.34 3.90 2j9pA1 ALA 62 HB3 0.08 0.01 0.03 -0.04 1.41 1.50 2j9pA1 LEU 63 H -0.25 0.68 -0.13 -0.55 8.37 8.12 2j9pA1 LEU 63 HA -0.47 -0.03 0.28 -0.75 4.35 3.38 2j9pA1 LEU 63 HB2 -1.56 0.18 0.07 -0.04 1.64 0.28 2j9pA1 LEU 63 HB3 -2.04 -0.12 -0.05 -0.04 1.64 -0.62 2j9pA1 LEU 63 HG -0.54 0.11 -0.07 -0.04 1.64 1.10 2j9pA1 LEU 63 HD13 -0.21 -0.00 -0.12 -0.04 0.93 0.56 2j9pA1 LEU 63 HD23 -0.60 -0.03 -0.18 -0.04 0.89 0.04 2j9pA1 SER 64 H -0.21 0.42 -0.45 -0.55 8.46 7.67 2j9pA1 SER 64 HA 0.35 -0.01 0.49 -0.75 4.49 4.57 2j9pA1 SER 64 HB2 0.53 0.11 0.08 -0.04 3.95 4.64 2j9pA1 SER 64 HB3 0.17 0.05 0.10 -0.04 3.93 4.22 2j9pA1 VAL 65 H -0.02 0.55 0.07 -0.55 8.24 8.29 2j9pA1 VAL 65 HA -0.00 0.06 0.48 -0.75 4.13 3.91 2j9pA1 VAL 65 HB -0.07 -0.07 0.18 -0.04 2.12 2.12 2j9pA1 VAL 65 HG13 -0.07 -0.02 -0.11 -0.04 0.97 0.74 2j9pA1 VAL 65 HG23 -0.00 0.02 0.03 -0.04 0.95 0.95 2j9pA1 LEU 66 H -0.16 0.36 0.12 -0.55 8.37 8.14 2j9pA1 LEU 66 HA -0.20 0.05 0.48 -0.75 4.35 3.92 2j9pA1 LEU 66 HB2 -0.31 0.18 0.13 -0.04 1.64 1.60 2j9pA1 LEU 66 HB3 -0.54 -0.03 -0.04 -0.04 1.64 1.00 2j9pA1 LEU 66 HG -1.72 -0.02 -0.05 -0.04 1.64 -0.19 2j9pA1 LEU 66 HD13 -0.31 0.00 -0.14 -0.04 0.93 0.44 2j9pA1 LEU 66 HD23 -0.37 -0.03 -0.05 -0.04 0.89 0.40 2j9pA1 GLY 67 H -0.17 0.19 -0.29 -0.55 8.43 7.61 2j9pA1 GLY 67 HA2 -0.05 0.24 0.41 -0.51 4.01 4.10 2j9pA1 GLY 67 HA3 0.01 0.10 0.65 -0.51 4.01 4.25 2j9pA1 GLU 68 H -0.01 0.17 0.16 -0.55 8.60 8.38 2j9pA1 GLU 68 HA -0.20 0.12 0.48 -0.75 4.29 3.94 2j9pA1 GLU 68 HB2 -0.09 -0.06 0.13 -0.04 2.09 2.02 2j9pA1 GLU 68 HB3 -0.04 0.05 0.12 -0.04 1.99 2.08 2j9pA1 GLU 68 HG2 0.06 -0.01 0.07 -0.04 2.34 2.42 2j9pA1 GLU 68 HG3 0.01 0.02 -0.20 -0.04 2.34 2.13 2j9pA1 ASN 69 H -0.01 0.16 -0.18 -0.55 8.53 7.96 2j9pA1 ASN 69 HA -0.04 0.10 0.77 -0.75 4.76 4.84 2j9pA1 ASN 69 HB2 -0.01 0.02 0.05 -0.04 2.88 2.90 2j9pA1 ASN 69 HB3 -0.04 0.04 0.12 -0.04 2.79 2.87 2j9pA1 ASN 69 HD21 -0.01 0.01 -0.02 -0.04 7.03 6.97 2j9pA1 ASN 69 HD22 -0.03 0.02 0.07 -0.04 7.74 7.76 2j9pA1 TYR 70 H 0.04 0.23 -0.46 -0.55 8.29 7.55 2j9pA1 TYR 70 HA -0.14 0.07 0.46 -0.75 4.56 4.20 2j9pA1 TYR 70 HB2 -0.14 0.32 -0.04 -0.04 3.06 3.16 2j9pA1 TYR 70 HB3 -0.20 -0.04 -0.04 -0.04 2.98 2.65 2j9pA1 TYR 70 HD2 -0.35 0.03 -0.23 -0.04 7.15 6.56 2j9pA1 TYR 70 HE2 -0.43 -0.04 -0.12 -0.04 6.85 6.22 2j9pA1 SER 71 H -0.77 0.23 0.20 -0.55 8.46 7.58 2j9pA1 SER 71 HA -0.13 0.18 0.76 -0.75 4.49 4.55 2j9pA1 SER 71 HB2 -0.27 -0.06 0.03 -0.04 3.95 3.62 2j9pA1 SER 71 HB3 -0.17 -0.12 0.07 -0.04 3.93 3.67 2j9pA1 PHE 72 H 0.21 0.07 0.13 -0.55 8.34 8.19 2j9pA1 PHE 72 HA -0.08 0.22 0.68 -0.75 4.62 4.69 2j9pA1 PHE 72 HB2 -0.13 -0.13 0.02 -0.04 3.15 2.86 2j9pA1 PHE 72 HB3 -0.12 0.03 0.05 -0.04 3.06 2.98 2j9pA1 PHE 72 HD2 0.01 0.05 0.03 -0.04 7.28 7.33 2j9pA1 PHE 72 HE2 0.01 0.02 -0.13 -0.04 7.38 7.24 2j9pA1 PHE 72 HZ -0.06 -0.01 -0.15 -0.04 7.32 7.05 2j9pA1 THR 73 H -0.17 0.32 0.26 -0.55 8.28 8.14 2j9pA1 THR 73 HA -0.19 0.44 1.13 -0.75 4.39 5.02 2j9pA1 THR 73 HB -0.37 -0.02 0.07 -0.04 4.32 3.96 2j9pA1 THR 73 HG23 -0.20 -0.01 -0.17 -0.04 1.22 0.80 2j9pA1 THR 74 H -0.11 0.62 0.35 -0.55 8.28 8.59 2j9pA1 THR 74 HA -0.14 0.12 1.00 -0.75 4.39 4.62 2j9pA1 THR 74 HB 0.05 0.01 0.09 -0.04 4.32 4.43 2j9pA1 THR 74 HG23 -0.05 -0.00 -0.19 -0.04 1.22 0.94 2j9pA1 GLU 75 H -0.11 0.90 0.35 -0.55 8.60 9.19 2j9pA1 GLU 75 HA -0.06 0.29 1.30 -0.75 4.29 5.07 2j9pA1 GLU 75 HB2 -0.07 -0.08 -0.05 -0.04 2.09 1.85 2j9pA1 GLU 75 HB3 -0.06 0.11 0.08 -0.04 1.99 2.08 2j9pA1 GLU 75 HG2 -0.12 -0.02 -0.25 -0.04 2.34 1.91 2j9pA1 GLU 75 HG3 -0.18 -0.01 -0.19 -0.04 2.34 1.92 2j9pA1 VAL 76 H -0.02 0.61 0.38 -0.55 8.24 8.66 2j9pA1 VAL 76 HA -0.01 0.33 1.05 -0.75 4.13 4.75 2j9pA1 VAL 76 HB 0.04 -0.09 0.18 -0.04 2.12 2.20 2j9pA1 VAL 76 HG13 0.13 0.02 -0.04 -0.04 0.97 1.03 2j9pA1 VAL 76 HG23 -0.06 -0.00 -0.13 -0.04 0.95 0.72 2j9pA1 ARG 77 H 0.12 0.51 0.40 -0.55 8.46 8.94 2j9pA1 ARG 77 HA 0.07 0.24 1.09 -0.75 4.34 4.98 2j9pA1 ARG 77 HB2 0.14 -0.16 -0.09 -0.04 1.90 1.75 2j9pA1 ARG 77 HB3 0.06 0.11 -0.12 -0.04 1.80 1.81 2j9pA1 ARG 77 HG2 0.00 0.08 -0.26 -0.04 1.67 1.45 2j9pA1 ARG 77 HG3 0.01 -0.16 -0.75 -0.04 1.67 0.73 2j9pA1 ARG 77 HD2 -0.04 -0.02 -0.18 -0.04 3.22 2.94 2j9pA1 ARG 77 HD3 -0.05 -0.14 -0.17 -0.04 3.22 2.83 2j9pA1 THR 78 H 0.11 0.55 0.30 -0.55 8.28 8.69 2j9pA1 THR 78 HA 0.20 0.20 0.85 -0.75 4.39 4.88 2j9pA1 THR 78 HB 0.06 -0.01 -0.22 -0.04 4.32 4.11 2j9pA1 THR 78 HG23 0.05 0.06 -0.28 -0.04 1.22 1.01 2j9pA1 ASP 79 H 0.11 0.14 0.25 -0.55 8.40 8.35 2j9pA1 ASP 79 HA 0.10 0.18 0.82 -0.75 4.63 4.98 2j9pA1 ASP 79 HB2 0.06 -0.23 0.34 -0.04 2.71 2.85 2j9pA1 ASP 79 HB3 0.08 0.08 0.16 -0.04 2.70 2.98 2j9pA1 GLY 80 H 0.04 -0.20 0.18 -0.55 8.43 7.90 2j9pA1 GLY 80 HA2 0.02 0.08 0.32 -0.51 4.01 3.92 2j9pA1 GLY 80 HA3 0.02 0.02 -0.05 -0.51 4.01 3.49 2j9pA1 THR 81 H 0.01 0.03 0.05 -0.55 8.28 7.82 2j9pA1 THR 81 HA 0.02 0.24 0.61 -0.75 4.39 4.50 2j9pA1 THR 81 HB 0.01 -0.10 0.17 -0.04 4.32 4.36 2j9pA1 THR 81 HG23 0.02 0.03 -0.19 -0.04 1.22 1.04 2j9pA1 LEU 82 H 0.01 0.11 0.09 -0.55 8.37 8.04 2j9pA1 LEU 82 HA 0.00 -0.03 0.46 -0.75 4.35 4.02 2j9pA1 LEU 82 HB2 0.00 -0.04 0.01 -0.04 1.64 1.57 2j9pA1 LEU 82 HB3 0.00 0.31 0.36 -0.04 1.64 2.27 2j9pA1 LEU 82 HG 0.00 -0.35 -0.31 -0.04 1.64 0.94 2j9pA1 LEU 82 HD13 0.00 0.02 0.08 -0.04 0.93 0.99 2j9pA1 LEU 82 HD23 -0.00 0.07 0.15 -0.04 0.89 1.07 2j9pA1 LYS 83 H 0.00 0.12 0.10 -0.55 8.42 8.09 2j9pA1 LYS 83 HA 0.01 0.25 0.55 -0.75 4.32 4.38 2j9pA1 LYS 83 HB2 0.00 0.11 0.18 -0.04 1.87 2.12 2j9pA1 LYS 83 HB3 0.01 -0.05 0.07 -0.04 1.79 1.78 2j9pA1 LYS 83 HG2 0.00 -0.12 0.01 -0.04 1.46 1.32 2j9pA1 LYS 83 HG3 0.00 0.07 -0.08 -0.04 1.46 1.41 2j9pA1 LYS 83 HD2 0.00 -0.03 0.03 -0.04 1.69 1.65 2j9pA1 LYS 83 HD3 0.00 -0.02 0.01 -0.04 1.68 1.63 2j9pA1 LYS 83 HE2 0.00 0.05 0.05 -0.04 2.99 3.05 2j9pA1 LYS 83 HE3 0.00 -0.02 0.02 -0.04 2.99 2.96 2j9pA1 GLY 84 H 0.00 -0.11 -0.70 -0.55 8.43 7.08 2j9pA1 GLY 84 HA2 -0.00 0.16 0.54 -0.51 4.01 4.20 2j9pA1 GLY 84 HA3 -0.00 -0.12 0.32 -0.51 4.01 3.69 2j9pA1 LYS 85 H -0.00 -0.21 0.14 -0.55 8.42 7.80 2j9pA1 LYS 85 HA -0.01 0.39 0.62 -0.75 4.32 4.56 2j9pA1 LYS 85 HB2 -0.01 -0.04 -0.18 -0.04 1.87 1.60 2j9pA1 LYS 85 HB3 -0.01 -0.05 -0.03 -0.04 1.79 1.66 2j9pA1 LYS 85 HG2 -0.01 -0.05 0.02 -0.04 1.46 1.37 2j9pA1 LYS 85 HG3 -0.01 -0.03 0.14 -0.04 1.46 1.51 2j9pA1 LYS 85 HD2 -0.01 0.29 0.20 -0.04 1.69 2.13 2j9pA1 LYS 85 HD3 -0.01 -0.02 0.02 -0.04 1.68 1.63 2j9pA1 LYS 85 HE2 -0.02 0.01 0.05 -0.04 2.99 2.99 2j9pA1 LYS 85 HE3 -0.02 -0.10 0.03 -0.04 2.99 2.86 2j9pA1 LYS 86 H -0.01 -0.12 0.17 -0.55 8.42 7.91 2j9pA1 LYS 86 HA -0.01 0.27 1.23 -0.75 4.32 5.06 2j9pA1 LYS 86 HB2 -0.01 0.04 -0.07 -0.04 1.87 1.79 2j9pA1 LYS 86 HB3 -0.01 0.04 0.01 -0.04 1.79 1.79 2j9pA1 LYS 86 HG2 -0.00 -0.13 0.20 -0.04 1.46 1.49 2j9pA1 LYS 86 HG3 -0.01 0.02 0.02 -0.04 1.46 1.45 2j9pA1 LYS 86 HD2 -0.01 -0.09 -0.04 -0.04 1.69 1.52 2j9pA1 LYS 86 HD3 -0.01 0.00 0.02 -0.04 1.68 1.66 2j9pA1 LYS 86 HE2 -0.01 -0.01 -0.03 -0.04 2.99 2.91 2j9pA1 LYS 86 HE3 -0.01 0.06 -0.07 -0.04 2.99 2.93 2j9pA1 LEU 87 H -0.01 0.34 0.25 -0.55 8.37 8.40 2j9pA1 LEU 87 HA 0.00 0.35 0.56 -0.75 4.35 4.51 2j9pA1 LEU 87 HB2 -0.00 0.09 0.05 -0.04 1.64 1.74 2j9pA1 LEU 87 HB3 -0.01 -0.13 0.20 -0.04 1.64 1.66 2j9pA1 LEU 87 HG -0.00 -0.19 -0.35 -0.04 1.64 1.06 2j9pA1 LEU 87 HD13 0.01 0.14 -0.16 -0.04 0.93 0.88 2j9pA1 LEU 87 HD23 -0.00 0.00 -0.23 -0.04 0.89 0.61 2j9pA1 ASN 88 H 0.00 0.24 0.16 -0.55 8.53 8.39 2j9pA1 ASN 88 HA -0.00 0.15 0.78 -0.75 4.76 4.94 2j9pA1 ASN 88 HB2 0.00 -0.12 0.24 -0.04 2.88 2.97 2j9pA1 ASN 88 HB3 0.00 0.02 0.18 -0.04 2.79 2.95 2j9pA1 ASN 88 HD21 -0.00 -0.00 0.05 -0.04 7.03 7.03 2j9pA1 ASN 88 HD22 0.00 -0.10 0.04 -0.04 7.74 7.64 2j9pA1 GLY 89 H -0.01 0.43 0.00 -0.55 8.43 8.30 2j9pA1 GLY 89 HA2 -0.00 0.13 0.36 -0.51 4.01 3.99 2j9pA1 GLY 89 HA3 0.01 -0.21 0.59 -0.51 4.01 3.88 2j9pA1 ASN 90 H -0.03 0.09 0.27 -0.55 8.53 8.32 2j9pA1 ASN 90 HA -0.14 0.08 0.88 -0.75 4.76 4.83 2j9pA1 ASN 90 HB2 -0.23 -0.03 0.12 -0.04 2.88 2.70 2j9pA1 ASN 90 HB3 -0.55 0.19 0.01 -0.04 2.79 2.40 2j9pA1 ASN 90 HD21 -0.01 0.05 0.00 -0.04 7.03 7.04 2j9pA1 ASN 90 HD22 -0.03 0.06 -0.02 -0.04 7.74 7.70 2j9pA1 LEU 91 H -0.21 0.69 0.33 -0.55 8.37 8.64 2j9pA1 LEU 91 HA -0.07 0.27 1.01 -0.75 4.35 4.81 2j9pA1 LEU 91 HB2 -0.03 -0.04 -0.03 -0.04 1.64 1.49 2j9pA1 LEU 91 HB3 -0.04 -0.01 0.13 -0.04 1.64 1.68 2j9pA1 LEU 91 HG 0.14 0.04 -0.14 -0.04 1.64 1.63 2j9pA1 LEU 91 HD13 0.07 0.03 -0.05 -0.04 0.93 0.94 2j9pA1 LEU 91 HD23 0.07 -0.00 -0.11 -0.04 0.89 0.81 2j9pA1 TYR 92 H 0.11 0.90 0.41 -0.55 8.29 9.17 2j9pA1 TYR 92 HA 0.02 0.28 1.15 -0.75 4.56 5.26 2j9pA1 TYR 92 HB2 0.00 -0.04 0.02 -0.04 3.06 3.01 2j9pA1 TYR 92 HB3 -0.00 -0.07 -0.05 -0.04 2.98 2.82 2j9pA1 TYR 92 HD2 0.01 0.03 -0.35 -0.04 7.15 6.80 2j9pA1 TYR 92 HE2 0.01 -0.02 -0.21 -0.04 6.85 6.59 2j9pA1 LEU 93 H 0.08 0.74 0.33 -0.55 8.37 8.98 2j9pA1 LEU 93 HA -0.12 0.27 0.97 -0.75 4.35 4.71 2j9pA1 LEU 93 HB2 -0.28 0.04 -0.04 -0.04 1.64 1.32 2j9pA1 LEU 93 HB3 -0.09 -0.06 0.16 -0.04 1.64 1.60 2j9pA1 LEU 93 HG -0.16 -0.04 -0.24 -0.04 1.64 1.16 2j9pA1 LEU 93 HD13 -0.61 0.04 -0.12 -0.04 0.93 0.20 2j9pA1 LEU 93 HD23 -0.34 -0.01 -0.14 -0.04 0.89 0.36 2j9pA1 LYS 94 H -0.03 0.71 0.15 -0.55 8.42 8.69 2j9pA1 LYS 94 HA -0.02 0.15 0.95 -0.75 4.32 4.64 2j9pA1 LYS 94 HB2 -0.02 -0.09 -0.01 -0.04 1.87 1.72 2j9pA1 LYS 94 HB3 -0.07 -0.02 0.11 -0.04 1.79 1.77 2j9pA1 LYS 94 HG2 -0.05 0.13 -0.16 -0.04 1.46 1.34 2j9pA1 LYS 94 HG3 -0.01 -0.16 0.00 -0.04 1.46 1.25 2j9pA1 LYS 94 HD2 -0.05 0.00 -0.10 -0.04 1.69 1.50 2j9pA1 LYS 94 HD3 -0.07 0.01 -0.12 -0.04 1.68 1.46 2j9pA1 LYS 94 HE2 0.07 0.06 -0.10 -0.04 2.99 2.97 2j9pA1 LYS 94 HE3 0.11 -0.02 -0.11 -0.04 2.99 2.93 2j9pA1 GLY 95 H -0.05 0.49 0.34 -0.55 8.43 8.66 2j9pA1 GLY 95 HA2 -0.13 0.07 0.94 -0.51 4.01 4.38 2j9pA1 GLY 95 HA3 -0.08 0.03 0.34 -0.51 4.01 3.79 2j9pA1 LYS 96 H -0.27 0.44 0.36 -0.55 8.42 8.41 2j9pA1 LYS 96 HA -0.72 0.12 0.96 -0.75 4.32 3.93 2j9pA1 LYS 96 HB2 -0.70 0.14 0.32 -0.04 1.87 1.59 2j9pA1 LYS 96 HB3 -2.04 -0.01 0.24 -0.04 1.79 -0.07 2j9pA1 LYS 96 HG2 -1.02 0.01 -0.11 -0.04 1.46 0.30 2j9pA1 LYS 96 HG3 -0.53 -0.03 -0.46 -0.04 1.46 0.40 2j9pA1 LYS 96 HD2 -0.69 -0.03 -0.08 -0.04 1.69 0.84 2j9pA1 LYS 96 HD3 -1.92 0.02 -0.02 -0.04 1.68 -0.28 2j9pA1 LYS 96 HE2 -0.24 0.00 -0.09 -0.04 2.99 2.62 2j9pA1 LYS 96 HE3 -0.28 -0.03 -0.15 -0.04 2.99 2.50 2j9pA1 GLY 97 H -0.18 0.39 -0.02 -0.55 8.43 8.07 2j9pA1 GLY 97 HA2 -0.00 0.02 0.29 -0.51 4.01 3.81 2j9pA1 GLY 97 HA3 0.28 0.15 0.59 -0.51 4.01 4.53 2j9pA1 ASP 98 H -0.09 0.09 -0.32 -0.55 8.40 7.54 2j9pA1 ASP 98 HA -0.52 0.08 0.27 -0.75 4.63 3.71 2j9pA1 ASP 98 HB2 -0.07 0.04 -0.17 -0.04 2.71 2.48 2j9pA1 ASP 98 HB3 -0.11 -0.01 0.01 -0.04 2.70 2.55 2j9pA1 PRO 99 HA -0.09 0.14 0.64 -0.51 4.44 4.63 2j9pA1 PRO 99 HB2 -0.04 0.01 0.09 -0.04 2.28 2.30 2j9pA1 PRO 99 HB3 -0.19 0.08 0.02 -0.04 2.02 1.89 2j9pA1 PRO 99 HG2 -0.58 0.03 -0.09 -0.04 2.03 1.35 2j9pA1 PRO 99 HG3 -0.70 0.02 0.01 -0.04 2.03 1.31 2j9pA1 PRO 99 HD2 -0.78 -0.01 0.13 -0.04 3.68 2.98 2j9pA1 PRO 99 HD3 -0.96 0.37 0.11 -0.04 3.65 3.13 2j9pA1 THR 100 H -0.27 0.03 -0.30 -0.55 8.28 7.20 2j9pA1 THR 100 HA -0.16 0.26 0.81 -0.75 4.39 4.54 2j9pA1 THR 100 HB -0.93 0.00 0.06 -0.04 4.32 3.41 2j9pA1 THR 100 HG23 -0.97 0.01 -0.10 -0.04 1.22 0.11 2j9pA1 LEU 101 H -0.10 0.13 -0.35 -0.55 8.37 7.51 2j9pA1 LEU 101 HA -0.17 0.00 0.37 -0.75 4.35 3.80 2j9pA1 LEU 101 HB2 -0.07 0.11 0.06 -0.04 1.64 1.70 2j9pA1 LEU 101 HB3 -0.57 0.00 -0.04 -0.04 1.64 1.00 2j9pA1 LEU 101 HG -0.09 -0.03 -0.06 -0.04 1.64 1.43 2j9pA1 LEU 101 HD13 0.02 0.04 -0.01 -0.04 0.93 0.94 2j9pA1 LEU 101 HD23 -0.16 -0.01 -0.10 -0.04 0.89 0.59 2j9pA1 LEU 102 H -0.23 0.05 0.22 -0.55 8.37 7.86 2j9pA1 LEU 102 HA 0.03 0.47 0.85 -0.75 4.35 4.95 2j9pA1 LEU 102 HB2 -0.02 -0.11 0.06 -0.04 1.64 1.53 2j9pA1 LEU 102 HB3 0.02 -0.02 0.05 -0.04 1.64 1.65 2j9pA1 LEU 102 HG 0.23 0.26 -0.21 -0.04 1.64 1.88 2j9pA1 LEU 102 HD13 0.11 -0.02 -0.11 -0.04 0.93 0.87 2j9pA1 LEU 102 HD23 0.11 0.07 -0.33 -0.04 0.89 0.70 2j9pA1 PRO 103 HA 0.26 0.07 0.41 -0.51 4.44 4.67 2j9pA1 PRO 103 HB2 0.06 0.02 0.07 -0.04 2.28 2.38 2j9pA1 PRO 103 HB3 0.09 0.06 0.09 -0.04 2.02 2.22 2j9pA1 PRO 103 HG2 0.07 0.06 0.10 -0.04 2.03 2.22 2j9pA1 PRO 103 HG3 0.08 0.05 0.03 -0.04 2.03 2.14 2j9pA1 PRO 103 HD2 0.05 0.10 0.22 -0.04 3.68 4.01 2j9pA1 PRO 103 HD3 0.08 0.59 0.27 -0.04 3.65 4.54 2j9pA1 SER 104 H -0.01 0.15 -0.37 -0.55 8.46 7.69 2j9pA1 SER 104 HA 0.01 0.14 0.41 -0.75 4.49 4.29 2j9pA1 SER 104 HB2 -0.01 0.05 0.06 -0.04 3.95 4.01 2j9pA1 SER 104 HB3 0.00 0.04 0.04 -0.04 3.93 3.97 2j9pA1 ASP 105 H -0.19 0.50 -0.36 -0.55 8.40 7.79 2j9pA1 ASP 105 HA -0.23 0.12 0.54 -0.75 4.63 4.31 2j9pA1 ASP 105 HB2 -0.56 0.14 0.24 -0.04 2.71 2.49 2j9pA1 ASP 105 HB3 -0.55 0.05 -0.00 -0.04 2.70 2.15 2j9pA1 PHE 106 H -0.29 0.37 -0.16 -0.55 8.34 7.71 2j9pA1 PHE 106 HA 0.04 0.05 0.34 -0.75 4.62 4.29 2j9pA1 PHE 106 HB2 0.06 0.19 -0.05 -0.04 3.15 3.32 2j9pA1 PHE 106 HB3 0.34 -0.03 0.02 -0.04 3.06 3.35 2j9pA1 PHE 106 HD2 -0.14 0.01 -0.09 -0.04 7.28 7.02 2j9pA1 PHE 106 HE2 -0.17 -0.02 -0.18 -0.04 7.38 6.97 2j9pA1 PHE 106 HZ -0.12 0.16 -0.11 -0.04 7.32 7.21 2j9pA1 ASP 107 H 0.05 0.14 -0.85 -0.55 8.40 7.19 2j9pA1 ASP 107 HA 0.07 0.13 0.58 -0.75 4.63 4.66 2j9pA1 ASP 107 HB2 0.01 0.16 0.12 -0.04 2.71 2.96 2j9pA1 ASP 107 HB3 0.02 0.01 -0.03 -0.04 2.70 2.66 2j9pA1 LYS 108 H -0.03 0.36 -0.09 -0.55 8.42 8.11 2j9pA1 LYS 108 HA -0.03 0.05 0.42 -0.75 4.32 4.01 2j9pA1 LYS 108 HB2 -0.12 0.13 0.16 -0.04 1.87 2.01 2j9pA1 LYS 108 HB3 -0.07 -0.00 0.01 -0.04 1.79 1.68 2j9pA1 LYS 108 HG2 -0.05 -0.01 0.04 -0.04 1.46 1.40 2j9pA1 LYS 108 HG3 -0.04 -0.02 0.04 -0.04 1.46 1.40 2j9pA1 LYS 108 HD2 -0.05 -0.04 -0.01 -0.04 1.69 1.55 2j9pA1 LYS 108 HD3 -0.09 0.20 0.12 -0.04 1.68 1.87 2j9pA1 LYS 108 HE2 -0.18 0.03 0.04 -0.04 2.99 2.84 2j9pA1 LYS 108 HE3 -0.05 0.01 0.01 -0.04 2.99 2.91 2j9pA1 MET 109 H 0.04 0.25 -0.44 -0.55 8.47 7.77 2j9pA1 MET 109 HA 0.05 0.07 0.29 -0.75 4.52 4.18 2j9pA1 MET 109 HB2 0.39 0.07 0.04 -0.04 2.15 2.61 2j9pA1 MET 109 HB3 0.29 0.00 -0.12 -0.04 2.03 2.17 2j9pA1 MET 109 HG2 -0.05 0.00 -0.13 -0.04 2.63 2.42 2j9pA1 MET 109 HG3 -0.10 0.17 -0.05 -0.04 2.56 2.54 2j9pA1 MET 109 HE3 -0.31 -0.01 -0.19 -0.04 2.10 1.54 2j9pA1 ALA 110 H 0.18 0.44 -0.19 -0.55 8.40 8.28 2j9pA1 ALA 110 HA -0.00 0.02 0.27 -0.75 4.34 3.87 2j9pA1 ALA 110 HB3 -0.06 0.02 -0.09 -0.04 1.41 1.24 2j9pA1 GLU 111 H 0.02 0.69 -0.38 -0.55 8.60 8.39 2j9pA1 GLU 111 HA 0.02 0.02 0.44 -0.75 4.29 4.02 2j9pA1 GLU 111 HB2 -0.02 0.08 0.33 -0.04 2.09 2.44 2j9pA1 GLU 111 HB3 -0.08 -0.04 0.01 -0.04 1.99 1.84 2j9pA1 GLU 111 HG2 0.00 0.01 0.03 -0.04 2.34 2.34 2j9pA1 GLU 111 HG3 -0.02 -0.08 -0.09 -0.04 2.34 2.11 2j9pA1 ILE 112 H -0.01 0.85 -0.05 -0.55 8.25 8.48 2j9pA1 ILE 112 HA -0.06 0.01 0.54 -0.75 4.18 3.91 2j9pA1 ILE 112 HB -0.02 -0.05 0.17 -0.04 1.89 1.95 2j9pA1 ILE 112 HG12 0.01 0.17 0.11 -0.04 1.49 1.74 2j9pA1 ILE 112 HG13 0.03 0.02 -0.29 -0.04 1.21 0.93 2j9pA1 ILE 112 HG23 -0.06 0.09 0.07 -0.04 0.93 0.98 2j9pA1 ILE 112 HD13 0.00 -0.04 -0.03 -0.04 0.88 0.77 2j9pA1 LEU 113 H 0.04 0.31 -0.92 -0.55 8.37 7.25 2j9pA1 LEU 113 HA 0.04 0.10 0.78 -0.75 4.35 4.52 2j9pA1 LEU 113 HB2 0.03 0.16 0.06 -0.04 1.64 1.85 2j9pA1 LEU 113 HB3 0.03 -0.05 -0.03 -0.04 1.64 1.54 2j9pA1 LEU 113 HG 0.09 0.20 -0.21 -0.04 1.64 1.68 2j9pA1 LEU 113 HD13 0.13 -0.05 -0.17 -0.04 0.93 0.80 2j9pA1 LEU 113 HD23 0.06 -0.02 -0.09 -0.04 0.89 0.81 2j9pA1 LYS 114 H 0.07 0.32 0.05 -0.55 8.42 8.31 2j9pA1 LYS 114 HA 0.03 0.27 0.42 -0.75 4.32 4.28 2j9pA1 LYS 114 HB2 0.12 0.09 0.31 -0.04 1.87 2.36 2j9pA1 LYS 114 HB3 0.14 -0.06 0.02 -0.04 1.79 1.84 2j9pA1 LYS 114 HG2 0.02 -0.00 0.04 -0.04 1.46 1.48 2j9pA1 LYS 114 HG3 0.04 -0.06 0.09 -0.04 1.46 1.49 2j9pA1 LYS 114 HD2 0.00 0.05 0.03 -0.04 1.69 1.73 2j9pA1 LYS 114 HD3 -0.01 0.23 0.05 -0.04 1.68 1.91 2j9pA1 LYS 114 HE2 -0.02 -0.07 -0.07 -0.04 2.99 2.78 2j9pA1 LYS 114 HE3 -0.02 -0.04 0.00 -0.04 2.99 2.89 2j9pA1 HIS 115 H 0.31 0.38 0.06 -0.55 8.41 8.62 2j9pA1 HIS 115 HA -0.00 0.07 0.34 -0.75 4.63 4.28 2j9pA1 HIS 115 HB2 0.00 0.01 0.04 -0.04 3.26 3.28 2j9pA1 HIS 115 HB3 0.00 -0.01 -0.02 -0.04 3.20 3.12 2j9pA1 HIS 115 HD2 -0.00 -0.03 0.00 -0.04 6.97 6.90 2j9pA1 HIS 115 HE1 -0.00 -0.01 0.01 -0.04 7.75 7.70 2j9pA1 SER 116 H 0.09 0.05 -0.88 -0.55 8.46 7.17 2j9pA1 SER 116 HA 0.04 0.02 0.40 -0.75 4.49 4.20 2j9pA1 SER 116 HB2 0.04 0.23 0.09 -0.04 3.95 4.28 2j9pA1 SER 116 HB3 0.04 0.06 -0.01 -0.04 3.93 3.97 2j9pA1 GLY 117 H 0.03 0.41 -0.76 -0.55 8.43 7.56 2j9pA1 GLY 117 HA2 -0.01 -0.00 0.27 -0.51 4.01 3.76 2j9pA1 GLY 117 HA3 0.00 0.16 0.78 -0.51 4.01 4.45 2j9pA1 VAL 118 H 0.01 0.07 -0.26 -0.55 8.24 7.52 2j9pA1 VAL 118 HA -0.00 -0.04 0.24 -0.75 4.13 3.58 2j9pA1 VAL 118 HB 0.00 0.11 0.05 -0.04 2.12 2.25 2j9pA1 VAL 118 HG13 -0.01 -0.06 -0.21 -0.04 0.97 0.65 2j9pA1 VAL 118 HG23 0.01 -0.01 -0.06 -0.04 0.95 0.85 2j9pA1 LYS 119 H -0.01 0.86 0.54 -0.55 8.42 9.25 2j9pA1 LYS 119 HA -0.02 0.22 0.96 -0.75 4.32 4.73 2j9pA1 LYS 119 HB2 -0.02 0.13 0.14 -0.04 1.87 2.09 2j9pA1 LYS 119 HB3 -0.01 -0.12 0.13 -0.04 1.79 1.75 2j9pA1 LYS 119 HG2 -0.02 -0.10 0.13 -0.04 1.46 1.42 2j9pA1 LYS 119 HG3 -0.02 0.15 0.22 -0.04 1.46 1.77 2j9pA1 LYS 119 HD2 -0.02 0.03 0.07 -0.04 1.69 1.73 2j9pA1 LYS 119 HD3 -0.02 -0.09 0.04 -0.04 1.68 1.57 2j9pA1 LYS 119 HE2 -0.02 -0.05 0.08 -0.04 2.99 2.96 2j9pA1 LYS 119 HE3 -0.02 0.09 0.09 -0.04 2.99 3.12 2j9pA1 VAL 120 H -0.02 0.18 0.22 -0.55 8.24 8.08 2j9pA1 VAL 120 HA -0.03 0.22 0.63 -0.75 4.13 4.19 2j9pA1 VAL 120 HB -0.02 0.15 -0.02 -0.04 2.12 2.19 2j9pA1 VAL 120 HG13 -0.01 -0.05 -0.11 -0.04 0.97 0.75 2j9pA1 VAL 120 HG23 -0.02 -0.03 -0.27 -0.04 0.95 0.59 2j9pA1 ILE 121 H -0.04 0.66 0.19 -0.55 8.25 8.52 2j9pA1 ILE 121 HA -0.02 0.09 0.94 -0.75 4.18 4.43 2j9pA1 ILE 121 HB -0.05 0.02 0.13 -0.04 1.89 1.95 2j9pA1 ILE 121 HG12 -0.03 -0.03 -0.11 -0.04 1.49 1.29 2j9pA1 ILE 121 HG13 -0.04 0.01 -0.19 -0.04 1.21 0.95 2j9pA1 ILE 121 HG23 -0.04 -0.04 -0.11 -0.04 0.93 0.70 2j9pA1 ILE 121 HD13 -0.06 0.02 -0.13 -0.04 0.88 0.67 2j9pA1 LYS 122 H -0.02 0.59 0.35 -0.55 8.42 8.79 2j9pA1 LYS 122 HA -0.02 0.08 0.68 -0.75 4.32 4.30 2j9pA1 LYS 122 HB2 -0.01 -0.04 0.23 -0.04 1.87 2.01 2j9pA1 LYS 122 HB3 -0.01 -0.03 0.08 -0.04 1.79 1.79 2j9pA1 LYS 122 HG2 -0.01 -0.00 -0.08 -0.04 1.46 1.33 2j9pA1 LYS 122 HG3 -0.01 0.09 -0.12 -0.04 1.46 1.37 2j9pA1 LYS 122 HD2 -0.01 -0.01 -0.08 -0.04 1.69 1.56 2j9pA1 LYS 122 HD3 -0.01 -0.03 -0.08 -0.04 1.68 1.52 2j9pA1 LYS 122 HE2 -0.01 -0.02 -0.01 -0.04 2.99 2.91 2j9pA1 LYS 122 HE3 -0.01 0.02 -0.02 -0.04 2.99 2.94 2j9pA1 GLY 123 H -0.04 0.31 0.08 -0.55 8.43 8.24 2j9pA1 GLY 123 HA2 -0.03 0.12 0.53 -0.51 4.01 4.12 2j9pA1 GLY 123 HA3 -0.05 -0.09 0.00 -0.51 4.01 3.36 2j9pA1 ASN 124 H -0.09 0.03 0.17 -0.55 8.53 8.09 2j9pA1 ASN 124 HA -0.05 0.16 0.88 -0.75 4.76 5.00 2j9pA1 ASN 124 HB2 -0.08 -0.06 -0.06 -0.04 2.88 2.64 2j9pA1 ASN 124 HB3 -0.03 0.26 0.04 -0.04 2.79 3.02 2j9pA1 ASN 124 HD21 -0.00 0.06 -0.04 -0.04 7.03 7.00 2j9pA1 ASN 124 HD22 -0.00 0.05 -0.05 -0.04 7.74 7.69 2j9pA1 LEU 125 H -0.04 0.99 0.32 -0.55 8.37 9.10 2j9pA1 LEU 125 HA -0.05 0.16 0.82 -0.75 4.35 4.52 2j9pA1 LEU 125 HB2 -0.04 0.04 0.01 -0.04 1.64 1.61 2j9pA1 LEU 125 HB3 -0.01 -0.11 0.15 -0.04 1.64 1.63 2j9pA1 LEU 125 HG -0.04 0.02 -0.07 -0.04 1.64 1.51 2j9pA1 LEU 125 HD13 -0.06 0.01 -0.11 -0.04 0.93 0.72 2j9pA1 LEU 125 HD23 0.19 0.01 -0.16 -0.04 0.89 0.88 2j9pA1 ILE 126 H -0.12 0.82 0.32 -0.55 8.25 8.73 2j9pA1 ILE 126 HA 0.02 0.39 1.17 -0.75 4.18 5.00 2j9pA1 ILE 126 HB -0.10 -0.02 -0.04 -0.04 1.89 1.69 2j9pA1 ILE 126 HG12 0.02 0.07 -0.27 -0.04 1.49 1.26 2j9pA1 ILE 126 HG13 -0.11 -0.07 -0.67 -0.04 1.21 0.32 2j9pA1 ILE 126 HG23 0.22 -0.02 -0.43 -0.04 0.93 0.65 2j9pA1 ILE 126 HD13 -0.11 -0.02 -0.16 -0.04 0.88 0.55 2j9pA1 GLY 127 H 0.04 0.65 0.30 -0.55 8.43 8.87 2j9pA1 GLY 127 HA2 0.01 0.19 0.83 -0.51 4.01 4.53 2j9pA1 GLY 127 HA3 -0.00 0.05 0.34 -0.51 4.01 3.89 2j9pA1 ASP 128 H 0.04 0.58 0.10 -0.55 8.40 8.57 2j9pA1 ASP 128 HA 0.04 0.25 0.83 -0.75 4.63 5.01 2j9pA1 ASP 128 HB2 0.06 -0.09 -0.14 -0.04 2.71 2.50 2j9pA1 ASP 128 HB3 0.02 0.03 0.11 -0.04 2.70 2.82 2j9pA1 ASP 129 H 0.03 0.31 0.20 -0.55 8.40 8.40 2j9pA1 ASP 129 HA 0.02 0.23 0.99 -0.75 4.63 5.12 2j9pA1 ASP 129 HB2 0.02 -0.23 0.30 -0.04 2.71 2.77 2j9pA1 ASP 129 HB3 0.01 0.02 0.06 -0.04 2.70 2.75 2j9pA1 THR 130 H 0.05 0.07 -0.09 -0.55 8.28 7.76 2j9pA1 THR 130 HA 0.05 0.19 0.40 -0.75 4.39 4.28 2j9pA1 THR 130 HB 0.03 0.05 0.06 -0.04 4.32 4.43 2j9pA1 THR 130 HG23 0.03 -0.00 0.08 -0.04 1.22 1.28 2j9pA1 TRP 131 H 0.21 0.05 -0.43 -0.55 7.97 7.25 2j9pA1 TRP 131 HA -0.04 0.04 0.33 -0.75 4.62 4.20 2j9pA1 TRP 131 HB2 -0.12 0.09 0.16 -0.04 3.23 3.32 2j9pA1 TRP 131 HB3 -0.31 -0.09 0.09 -0.04 3.23 2.89 2j9pA1 TRP 131 HD1 -0.84 -0.06 -0.32 -0.04 7.22 5.96 2j9pA1 TRP 131 HE1 0.14 0.02 -0.09 -0.04 10.20 10.23 2j9pA1 TRP 131 HE3 -0.04 -0.03 -0.03 -0.04 7.59 7.45 2j9pA1 TRP 131 HZ2 0.05 0.02 -0.03 -0.04 7.44 7.44 2j9pA1 TRP 131 HZ3 -0.02 0.00 -0.03 -0.04 7.13 7.04 2j9pA1 TRP 131 HH2 -0.00 0.02 -0.02 -0.04 7.19 7.14 2j9pA1 HIS 132 H 0.10 0.18 -0.16 -0.55 8.41 7.99 2j9pA1 HIS 132 HA -0.14 0.05 0.95 -0.75 4.63 4.74 2j9pA1 HIS 132 HB2 0.00 -0.06 0.02 -0.04 3.26 3.19 2j9pA1 HIS 132 HB3 -0.11 0.06 0.14 -0.04 3.20 3.25 2j9pA1 HIS 132 HD2 -0.20 0.21 -0.26 -0.04 6.97 6.67 2j9pA1 HIS 132 HE1 0.18 0.04 -0.11 -0.04 7.75 7.81 2j9pA1 ASP 133 H -0.02 0.63 0.26 -0.55 8.40 8.73 2j9pA1 ASP 133 HA 0.01 0.11 0.36 -0.75 4.63 4.36 2j9pA1 ASP 133 HB2 0.03 -0.11 0.21 -0.04 2.71 2.79 2j9pA1 ASP 133 HB3 -0.01 0.00 0.04 -0.04 2.70 2.68 2j9pA1 ASP 134 H 0.04 0.07 0.18 -0.55 8.40 8.14 2j9pA1 ASP 134 HA 0.04 0.23 0.71 -0.75 4.63 4.85 2j9pA1 ASP 134 HB2 0.03 -0.00 0.15 -0.04 2.71 2.84 2j9pA1 ASP 134 HB3 0.03 0.04 0.09 -0.04 2.70 2.81 2j9pA1 MET 135 H 0.09 -0.04 -0.10 -0.55 8.47 7.87 2j9pA1 MET 135 HA 0.10 0.04 0.57 -0.75 4.52 4.47 2j9pA1 MET 135 HB2 0.22 -0.09 0.16 -0.04 2.15 2.40 2j9pA1 MET 135 HB3 0.44 0.06 -0.01 -0.04 2.03 2.49 2j9pA1 MET 135 HG2 0.10 0.04 0.10 -0.04 2.63 2.83 2j9pA1 MET 135 HG3 0.12 -0.03 0.07 -0.04 2.56 2.68 2j9pA1 MET 135 HE3 0.23 -0.03 0.07 -0.04 2.10 2.33 2j9pA1 ARG 136 H 0.08 0.08 0.26 -0.55 8.46 8.32 2j9pA1 ARG 136 HA 0.14 0.45 1.02 -0.75 4.34 5.19 2j9pA1 ARG 136 HB2 -0.06 0.03 0.18 -0.04 1.90 2.01 2j9pA1 ARG 136 HB3 -0.07 -0.01 0.12 -0.04 1.80 1.80 2j9pA1 ARG 136 HG2 -0.08 -0.10 0.13 -0.04 1.67 1.58 2j9pA1 ARG 136 HG3 0.02 0.27 0.11 -0.04 1.67 2.03 2j9pA1 ARG 136 HD2 -0.12 -0.03 0.08 -0.04 3.22 3.12 2j9pA1 ARG 136 HD3 -0.04 -0.16 0.05 -0.04 3.22 3.03 2j9pA1 LEU 137 H 0.14 0.09 0.06 -0.55 8.37 8.12 2j9pA1 LEU 137 HA 0.12 0.25 0.95 -0.75 4.35 4.92 2j9pA1 LEU 137 HB2 -0.01 -0.03 0.02 -0.04 1.64 1.58 2j9pA1 LEU 137 HB3 -0.02 0.05 0.07 -0.04 1.64 1.71 2j9pA1 LEU 137 HG 0.00 -0.20 -0.36 -0.04 1.64 1.05 2j9pA1 LEU 137 HD13 0.08 0.00 -0.00 -0.04 0.93 0.97 2j9pA1 LEU 137 HD23 0.04 0.11 0.01 -0.04 0.89 1.01 2j9pA1 SER 138 H -0.12 0.19 0.10 -0.55 8.46 8.09 2j9pA1 SER 138 HA -1.57 0.07 0.44 -0.75 4.49 2.67 2j9pA1 SER 138 HB2 -0.17 0.04 0.04 -0.04 3.95 3.82 2j9pA1 SER 138 HB3 -0.32 -0.12 0.01 -0.04 3.93 3.45 2j9pA1 PRO 139 HA -0.26 0.12 0.44 -0.51 4.44 4.23 2j9pA1 PRO 139 HB2 -0.24 -0.09 0.11 -0.04 2.28 2.03 2j9pA1 PRO 139 HB3 -0.18 0.05 0.10 -0.04 2.02 1.95 2j9pA1 PRO 139 HG2 -0.42 0.32 0.22 -0.04 2.03 2.12 2j9pA1 PRO 139 HG3 -0.48 -0.01 0.15 -0.04 2.03 1.65 2j9pA1 PRO 139 HD2 -0.79 -0.00 0.23 -0.04 3.68 3.08 2j9pA1 PRO 139 HD3 -2.20 0.10 0.28 -0.04 3.65 1.79 2j9pA1 ASP 140 H -0.18 -0.00 -0.21 -0.55 8.40 7.46 2j9pA1 ASP 140 HA -0.04 0.33 0.86 -0.75 4.63 5.02 2j9pA1 ASP 140 HB2 -0.05 -0.16 0.06 -0.04 2.71 2.52 2j9pA1 ASP 140 HB3 -0.00 0.02 0.18 -0.04 2.70 2.86 2j9pA1 MET 141 H -0.10 0.39 -0.44 -0.55 8.47 7.77 2j9pA1 MET 141 HA -0.02 0.17 0.71 -0.75 4.52 4.63 2j9pA1 MET 141 HB2 -0.07 -0.18 -0.02 -0.04 2.15 1.84 2j9pA1 MET 141 HB3 -0.05 0.07 0.05 -0.04 2.03 2.06 2j9pA1 MET 141 HG2 -0.04 0.14 -0.23 -0.04 2.63 2.46 2j9pA1 MET 141 HG3 -0.02 -0.06 -0.01 -0.04 2.56 2.43 2j9pA1 MET 141 HE3 -0.05 0.02 -0.14 -0.04 2.10 1.89 2j9pA1 PRO 142 HA 0.09 0.04 0.41 -0.51 4.44 4.47 2j9pA1 PRO 142 HB2 -0.10 -0.06 0.08 -0.04 2.28 2.16 2j9pA1 PRO 142 HB3 -0.06 0.01 0.14 -0.04 2.02 2.07 2j9pA1 PRO 142 HG2 0.04 0.04 0.14 -0.04 2.03 2.21 2j9pA1 PRO 142 HG3 0.05 0.08 0.15 -0.04 2.03 2.27 2j9pA1 PRO 142 HD2 0.00 0.07 0.22 -0.04 3.68 3.93 2j9pA1 PRO 142 HD3 0.03 0.38 0.41 -0.04 3.65 4.42 2j9pA1 TRP 143 H 0.33 0.17 0.22 -0.55 7.97 8.15 2j9pA1 TRP 143 HA -0.07 0.18 0.53 -0.75 4.62 4.51 2j9pA1 TRP 143 HB2 -0.20 0.03 0.15 -0.04 3.23 3.16 2j9pA1 TRP 143 HB3 0.02 0.06 0.18 -0.04 3.23 3.45 2j9pA1 TRP 143 HD1 0.02 0.00 0.12 -0.04 7.22 7.32 2j9pA1 TRP 143 HE1 0.02 0.04 0.03 -0.04 10.20 10.25 2j9pA1 TRP 143 HE3 -0.64 -0.01 -0.05 -0.04 7.59 6.85 2j9pA1 TRP 143 HZ2 0.03 0.03 0.00 -0.04 7.44 7.46 2j9pA1 TRP 143 HZ3 0.05 -0.04 0.02 -0.04 7.13 7.12 2j9pA1 TRP 143 HH2 0.04 0.02 -0.00 -0.04 7.19 7.21 2j9pA1 SER 144 H -1.00 0.04 -0.21 -0.55 8.46 6.75 2j9pA1 SER 144 HA -1.42 0.14 0.49 -0.75 4.49 2.94 2j9pA1 SER 144 HB2 -0.47 0.05 0.08 -0.04 3.95 3.58 2j9pA1 SER 144 HB3 -1.14 0.03 0.09 -0.04 3.93 2.88 2j9pA1 ASP 145 H -0.32 0.38 -0.58 -0.55 8.40 7.34 2j9pA1 ASP 145 HA -0.49 0.14 0.82 -0.75 4.63 4.35 2j9pA1 ASP 145 HB2 -0.17 0.18 -0.03 -0.04 2.71 2.64 2j9pA1 ASP 145 HB3 -0.42 -0.06 0.05 -0.04 2.70 2.23 2j9pA1 GLU 146 H -0.21 0.27 -0.26 -0.55 8.60 7.85 2j9pA1 GLU 146 HA -0.05 0.19 0.29 -0.75 4.29 3.97 2j9pA1 GLU 146 HB2 0.04 -0.00 0.13 -0.04 2.09 2.21 2j9pA1 GLU 146 HB3 0.19 -0.02 0.06 -0.04 1.99 2.19 2j9pA1 GLU 146 HG2 0.06 0.04 0.12 -0.04 2.34 2.52 2j9pA1 GLU 146 HG3 -0.03 0.19 0.41 -0.04 2.34 2.87 2j9pA1 TYR 147 H -0.03 0.03 -0.36 -0.55 8.29 7.39 2j9pA1 TYR 147 HA 0.02 0.16 0.54 -0.75 4.56 4.53 2j9pA1 TYR 147 HB2 -0.00 -0.14 0.16 -0.04 3.06 3.04 2j9pA1 TYR 147 HB3 -0.02 0.17 0.09 -0.04 2.98 3.18 2j9pA1 TYR 147 HD2 -0.09 -0.01 -0.11 -0.04 7.15 6.90 2j9pA1 TYR 147 HE2 -0.10 0.11 0.06 -0.04 6.85 6.89 2j9pA1 THR 148 H -0.89 0.13 -0.29 -0.55 8.28 6.68 2j9pA1 THR 148 HA -0.54 0.09 0.50 -0.75 4.39 3.68 2j9pA1 THR 148 HB -1.02 0.01 0.20 -0.04 4.32 3.48 2j9pA1 THR 148 HG23 -1.80 -0.05 -0.13 -0.04 1.22 -0.80 2j9pA1 TYR 149 H -0.13 0.12 0.27 -0.55 8.29 8.00 2j9pA1 TYR 149 HA 0.00 0.22 0.54 -0.75 4.56 4.56 2j9pA1 TYR 149 HB2 0.12 -0.01 0.04 -0.04 3.06 3.17 2j9pA1 TYR 149 HB3 0.18 0.33 0.22 -0.04 2.98 3.66 2j9pA1 TYR 149 HD2 0.05 0.02 -0.07 -0.04 7.15 7.11 2j9pA1 TYR 149 HE2 -0.00 0.04 0.03 -0.04 6.85 6.88 2j9pA1 TYR 150 H -1.06 0.08 0.06 -0.55 8.29 6.82 2j9pA1 TYR 150 HA -0.15 0.06 0.54 -0.75 4.56 4.25 2j9pA1 TYR 150 HB2 -0.26 -0.01 0.21 -0.04 3.06 2.95 2j9pA1 TYR 150 HB3 -0.75 0.05 0.16 -0.04 2.98 2.40 2j9pA1 TYR 150 HD2 -0.63 -0.01 -0.05 -0.04 7.15 6.42 2j9pA1 TYR 150 HE2 -0.22 -0.00 0.03 -0.04 6.85 6.61 2j9pA1 GLY 151 H -0.50 0.11 -0.99 -0.55 8.43 6.50 2j9pA1 GLY 151 HA2 -0.10 0.06 0.80 -0.51 4.01 4.25 2j9pA1 GLY 151 HA3 -0.35 0.07 0.13 -0.51 4.01 3.34 2j9pA1 ALA 152 H -0.06 0.14 -0.23 -0.55 8.40 7.71 2j9pA1 ALA 152 HA 0.02 0.18 0.47 -0.75 4.34 4.25 2j9pA1 ALA 152 HB3 0.08 0.00 0.16 -0.04 1.41 1.61 2j9pA1 PRO 153 HA 0.07 0.28 0.64 -0.51 4.44 4.92 2j9pA1 PRO 153 HB2 0.05 -0.10 0.12 -0.04 2.28 2.31 2j9pA1 PRO 153 HB3 -0.01 -0.07 0.20 -0.04 2.02 2.10 2j9pA1 PRO 153 HG2 0.02 0.15 0.33 -0.04 2.03 2.50 2j9pA1 PRO 153 HG3 0.00 -0.01 0.19 -0.04 2.03 2.17 2j9pA1 PRO 153 HD2 0.08 0.10 0.41 -0.04 3.68 4.23 2j9pA1 PRO 153 HD3 0.07 0.23 0.34 -0.04 3.65 4.24 2j9pA1 ILE 154 H 0.13 0.50 0.31 -0.55 8.25 8.64 2j9pA1 ILE 154 HA 0.08 0.15 0.81 -0.75 4.18 4.46 2j9pA1 ILE 154 HB 0.12 -0.00 -0.03 -0.04 1.89 1.94 2j9pA1 ILE 154 HG12 0.29 0.13 -0.10 -0.04 1.49 1.76 2j9pA1 ILE 154 HG13 0.46 -0.16 -0.16 -0.04 1.21 1.30 2j9pA1 ILE 154 HG23 -0.05 -0.01 -0.19 -0.04 0.93 0.63 2j9pA1 ILE 154 HD13 0.14 0.07 -0.22 -0.04 0.88 0.83 2j9pA1 SER 155 H 0.06 0.28 0.02 -0.55 8.46 8.27 2j9pA1 SER 155 HA 0.06 0.24 0.68 -0.75 4.49 4.71 2j9pA1 SER 155 HB2 0.04 0.04 -0.16 -0.04 3.95 3.82 2j9pA1 SER 155 HB3 0.05 0.02 -0.21 -0.04 3.93 3.75 2j9pA1 ALA 156 H 0.05 0.29 0.14 -0.55 8.40 8.33 2j9pA1 ALA 156 HA -0.10 0.05 0.40 -0.75 4.34 3.94 2j9pA1 ALA 156 HB3 -0.05 0.02 0.12 -0.04 1.41 1.46 2j9pA1 LEU 157 H 0.00 0.10 -0.14 -0.55 8.37 7.78 2j9pA1 LEU 157 HA -0.02 0.14 0.80 -0.75 4.35 4.51 2j9pA1 LEU 157 HB2 -0.02 -0.02 -0.09 -0.04 1.64 1.48 2j9pA1 LEU 157 HB3 -0.01 -0.07 0.04 -0.04 1.64 1.55 2j9pA1 LEU 157 HG -0.05 0.09 -0.04 -0.04 1.64 1.60 2j9pA1 LEU 157 HD13 -0.07 -0.03 -0.07 -0.04 0.93 0.72 2j9pA1 LEU 157 HD23 -0.01 0.01 -0.12 -0.04 0.89 0.73 2j9pA1 THR 158 H 0.03 0.32 0.04 -0.55 8.28 8.12 2j9pA1 THR 158 HA 0.07 0.20 0.43 -0.75 4.39 4.34 2j9pA1 THR 158 HB 0.06 0.03 -0.53 -0.04 4.32 3.84 2j9pA1 THR 158 HG23 0.04 0.04 -0.26 -0.04 1.22 1.00 2j9pA1 ALA 159 H 0.17 0.15 0.19 -0.55 8.40 8.36 2j9pA1 ALA 159 HA 0.10 0.16 0.49 -0.75 4.34 4.33 2j9pA1 ALA 159 HB3 0.06 0.02 -0.21 -0.04 1.41 1.24 2j9pA1 SER 160 H 0.12 0.78 0.17 -0.55 8.46 8.99 2j9pA1 SER 160 HA 0.25 0.24 0.77 -0.75 4.49 4.99 2j9pA1 SER 160 HB2 0.29 0.11 -0.07 -0.04 3.95 4.23 2j9pA1 SER 160 HB3 0.25 -0.20 -0.04 -0.04 3.93 3.90 2j9pA1 PRO 161 HA 0.12 0.10 0.60 -0.51 4.44 4.75 2j9pA1 PRO 161 HB2 0.01 -0.03 -0.07 -0.04 2.28 2.14 2j9pA1 PRO 161 HB3 0.09 0.20 0.10 -0.04 2.02 2.37 2j9pA1 PRO 161 HG2 0.42 -0.16 0.01 -0.04 2.03 2.25 2j9pA1 PRO 161 HG3 0.21 0.06 -0.20 -0.04 2.03 2.06 2j9pA1 PRO 161 HD2 0.28 0.02 0.15 -0.04 3.68 4.09 2j9pA1 PRO 161 HD3 0.27 0.45 0.11 -0.04 3.65 4.44 2j9pA1 ASN 162 H 0.17 0.09 0.00 -0.55 8.53 8.24 2j9pA1 ASN 162 HA 0.03 0.24 0.58 -0.75 4.76 4.85 2j9pA1 ASN 162 HB2 0.05 -0.06 0.15 -0.04 2.88 2.99 2j9pA1 ASN 162 HB3 0.14 0.14 -0.16 -0.04 2.79 2.87 2j9pA1 ASN 162 HD21 0.31 0.04 -0.08 -0.04 7.03 7.27 2j9pA1 ASN 162 HD22 0.34 0.07 -0.06 -0.04 7.74 8.06 2j9pA1 GLU 163 H -0.13 0.22 0.08 -0.55 8.60 8.22 2j9pA1 GLU 163 HA -1.38 0.22 0.57 -0.75 4.29 2.94 2j9pA1 GLU 163 HB2 -0.16 0.01 0.08 -0.04 2.09 1.98 2j9pA1 GLU 163 HB3 -0.28 0.07 0.16 -0.04 1.99 1.90 2j9pA1 GLU 163 HG2 -0.11 0.06 -0.07 -0.04 2.34 2.18 2j9pA1 GLU 163 HG3 -0.09 -0.07 -0.03 -0.04 2.34 2.10 2j9pA1 ASP 164 H -0.21 -0.00 -0.51 -0.55 8.40 7.14 2j9pA1 ASP 164 HA -0.13 0.18 0.60 -0.75 4.63 4.52 2j9pA1 ASP 164 HB2 -0.17 -0.10 -0.05 -0.04 2.71 2.34 2j9pA1 ASP 164 HB3 -0.24 0.06 -0.08 -0.04 2.70 2.40 2j9pA1 TYR 165 H -0.25 0.09 -0.18 -0.55 8.29 7.41 2j9pA1 TYR 165 HA 0.12 0.09 0.27 -0.75 4.56 4.29 2j9pA1 TYR 165 HB2 0.28 0.13 -0.16 -0.04 3.06 3.27 2j9pA1 TYR 165 HB3 0.18 0.10 0.03 -0.04 2.98 3.24 2j9pA1 TYR 165 HD2 0.10 0.05 -0.14 -0.04 7.15 7.12 2j9pA1 TYR 165 HE2 0.04 0.04 -0.06 -0.04 6.85 6.83 2j9pA1 ASP 166 H 0.16 -0.01 -0.11 -0.55 8.40 7.90 2j9pA1 ASP 166 HA 0.12 0.11 0.55 -0.75 4.63 4.65 2j9pA1 ASP 166 HB2 0.28 -0.08 0.11 -0.04 2.71 2.98 2j9pA1 ASP 166 HB3 0.20 0.11 0.02 -0.04 2.70 2.99 2j9pA1 ALA 167 H 0.21 0.32 -0.02 -0.55 8.40 8.37 2j9pA1 ALA 167 HA 0.20 0.06 0.10 -0.75 4.34 3.94 2j9pA1 ALA 167 HB3 0.12 0.01 0.03 -0.04 1.41 1.52 2j9pA1 GLY 168 H 0.26 0.32 0.31 -0.55 8.43 8.78 2j9pA1 GLY 168 HA2 0.25 -0.12 0.41 -0.51 4.01 4.04 2j9pA1 GLY 168 HA3 0.15 0.14 0.52 -0.51 4.01 4.30 2j9pA1 THR 169 H 0.27 0.24 0.08 -0.55 8.28 8.31 2j9pA1 THR 169 HA 0.04 0.22 0.99 -0.75 4.39 4.89 2j9pA1 THR 169 HB 0.23 -0.00 -0.14 -0.04 4.32 4.37 2j9pA1 THR 169 HG23 0.22 0.01 -0.34 -0.04 1.22 1.07 2j9pA1 VAL 170 H 0.01 0.78 0.32 -0.55 8.24 8.80 2j9pA1 VAL 170 HA 0.04 0.20 0.83 -0.75 4.13 4.45 2j9pA1 VAL 170 HB -0.03 0.01 -0.15 -0.04 2.12 1.92 2j9pA1 VAL 170 HG13 -0.12 -0.02 -0.31 -0.04 0.97 0.48 2j9pA1 VAL 170 HG23 -0.05 0.03 -0.14 -0.04 0.95 0.74 2j9pA1 ILE 171 H -0.17 0.86 0.32 -0.55 8.25 8.70 2j9pA1 ILE 171 HA -0.60 0.15 0.93 -0.75 4.18 3.91 2j9pA1 ILE 171 HB -0.36 -0.05 0.15 -0.04 1.89 1.58 2j9pA1 ILE 171 HG12 -2.12 -0.02 -0.15 -0.04 1.49 -0.84 2j9pA1 ILE 171 HG13 -0.52 0.04 -0.13 -0.04 1.21 0.57 2j9pA1 ILE 171 HG23 -0.81 -0.01 -0.25 -0.04 0.93 -0.18 2j9pA1 ILE 171 HD13 -0.29 -0.02 -0.13 -0.04 0.88 0.39 2j9pA1 VAL 172 H -0.21 0.52 0.23 -0.55 8.24 8.23 2j9pA1 VAL 172 HA -0.09 0.32 1.03 -0.75 4.13 4.64 2j9pA1 VAL 172 HB -0.03 -0.03 0.16 -0.04 2.12 2.18 2j9pA1 VAL 172 HG13 -0.03 -0.01 -0.21 -0.04 0.97 0.69 2j9pA1 VAL 172 HG23 -0.03 0.00 -0.16 -0.04 0.95 0.71 2j9pA1 GLU 173 H -0.08 0.72 0.21 -0.55 8.60 8.92 2j9pA1 GLU 173 HA -0.05 0.33 1.01 -0.75 4.29 4.82 2j9pA1 GLU 173 HB2 -0.10 -0.03 -0.10 -0.04 2.09 1.82 2j9pA1 GLU 173 HB3 -0.05 -0.08 0.10 -0.04 1.99 1.92 2j9pA1 GLU 173 HG2 -0.02 0.01 -0.30 -0.04 2.34 1.98 2j9pA1 GLU 173 HG3 -0.03 -0.01 -0.21 -0.04 2.34 2.04 2j9pA1 VAL 174 H -0.01 0.61 0.30 -0.55 8.24 8.59 2j9pA1 VAL 174 HA -0.01 0.33 0.98 -0.75 4.13 4.67 2j9pA1 VAL 174 HB 0.00 -0.07 0.14 -0.04 2.12 2.15 2j9pA1 VAL 174 HG13 -0.00 0.01 -0.30 -0.04 0.97 0.65 2j9pA1 VAL 174 HG23 -0.01 0.01 -0.16 -0.04 0.95 0.75 2j9pA1 THR 175 H -0.01 0.75 0.23 -0.55 8.28 8.70 2j9pA1 THR 175 HA 0.00 0.20 0.74 -0.75 4.39 4.58 2j9pA1 THR 175 HB -0.01 -0.06 -0.05 -0.04 4.32 4.16 2j9pA1 THR 175 HG23 -0.00 0.01 -0.17 -0.04 1.22 1.02 2j9pA1 PRO 176 HA 0.00 0.00 0.53 -0.51 4.44 4.46 2j9pA1 PRO 176 HB2 0.00 0.01 -0.08 -0.04 2.28 2.17 2j9pA1 PRO 176 HB3 0.00 0.04 -0.14 -0.04 2.02 1.87 2j9pA1 PRO 176 HG2 0.00 0.03 -0.04 -0.04 2.03 1.98 2j9pA1 PRO 176 HG3 0.00 0.08 -0.11 -0.04 2.03 1.97 2j9pA1 PRO 176 HD2 0.00 0.03 0.07 -0.04 3.68 3.74 2j9pA1 PRO 176 HD3 0.00 0.18 -0.07 -0.04 3.65 3.72 2j9pA1 ASN 177 H -0.00 0.16 0.03 -0.55 8.53 8.17 2j9pA1 ASN 177 HA -0.00 0.16 0.83 -0.75 4.76 5.00 2j9pA1 ASN 177 HB2 -0.00 -0.09 0.11 -0.04 2.88 2.86 2j9pA1 ASN 177 HB3 -0.00 -0.03 -0.03 -0.04 2.79 2.69 2j9pA1 ASN 177 HD21 -0.00 -0.15 -0.52 -0.04 7.03 6.32 2j9pA1 ASN 177 HD22 -0.00 -0.04 -0.57 -0.04 7.74 7.09 2j9pA1 GLN 178 H -0.00 0.07 0.12 -0.55 8.47 8.11 2j9pA1 GLN 178 HA 0.00 0.01 0.46 -0.75 4.36 4.07 2j9pA1 GLN 178 HB2 -0.00 0.00 0.13 -0.04 2.15 2.25 2j9pA1 GLN 178 HB3 0.00 -0.02 0.04 -0.04 2.02 2.00 2j9pA1 GLN 178 HG2 -0.00 -0.02 0.10 -0.04 2.40 2.44 2j9pA1 GLN 178 HG3 -0.00 0.00 0.05 -0.04 2.39 2.40 2j9pA1 GLN 178 HE21 0.00 0.01 -0.01 -0.04 6.97 6.92 2j9pA1 GLN 178 HE22 0.00 0.03 -0.03 -0.04 7.69 7.65 2j9pA1 LYS 179 H 0.00 0.03 0.15 -0.55 8.42 8.05 2j9pA1 LYS 179 HA 0.00 -0.12 0.44 -0.75 4.32 3.89 2j9pA1 LYS 179 HB2 -0.00 0.32 0.06 -0.04 1.87 2.21 2j9pA1 LYS 179 HB3 -0.00 0.08 0.06 -0.04 1.79 1.89 2j9pA1 LYS 179 HG2 0.00 -0.07 -0.13 -0.04 1.46 1.22 2j9pA1 LYS 179 HG3 -0.00 0.02 -0.03 -0.04 1.46 1.40 2j9pA1 LYS 179 HD2 0.00 0.02 0.06 -0.04 1.69 1.73 2j9pA1 LYS 179 HD3 0.00 -0.06 0.12 -0.04 1.68 1.70 2j9pA1 LYS 179 HE2 0.00 0.02 0.01 -0.04 2.99 2.97 2j9pA1 LYS 179 HE3 0.00 -0.02 0.03 -0.04 2.99 2.96 2j9pA1 GLU 180 H 0.00 -0.00 0.12 -0.55 8.60 8.18 2j9pA1 GLU 180 HA 0.00 0.19 0.38 -0.75 4.29 4.11 2j9pA1 GLU 180 HB2 0.00 -0.02 -0.01 -0.04 2.09 2.02 2j9pA1 GLU 180 HB3 0.00 0.06 0.01 -0.04 1.99 2.02 2j9pA1 GLU 180 HG2 0.00 0.15 -0.30 -0.04 2.34 2.15 2j9pA1 GLU 180 HG3 0.00 -0.09 0.06 -0.04 2.34 2.27 2j9pA1 GLY 181 H -0.00 0.73 0.23 -0.55 8.43 8.84 2j9pA1 GLY 181 HA2 -0.00 -0.03 0.37 -0.51 4.01 3.84 2j9pA1 GLY 181 HA3 -0.00 0.09 0.61 -0.51 4.01 4.20 2j9pA1 GLU 182 H -0.00 0.29 -0.82 -0.55 8.60 7.52 2j9pA1 GLU 182 HA -0.00 0.01 0.48 -0.75 4.29 4.03 2j9pA1 GLU 182 HB2 -0.00 0.09 -0.00 -0.04 2.09 2.14 2j9pA1 GLU 182 HB3 -0.00 0.02 -0.08 -0.04 1.99 1.90 2j9pA1 GLU 182 HG2 -0.00 -0.01 -0.01 -0.04 2.34 2.28 2j9pA1 GLU 182 HG3 -0.00 0.01 0.04 -0.04 2.34 2.35 2j9pA1 GLU 183 H -0.00 0.08 0.20 -0.55 8.60 8.33 2j9pA1 GLU 183 HA -0.00 0.04 0.47 -0.75 4.29 4.05 2j9pA1 GLU 183 HB2 -0.00 0.01 0.03 -0.04 2.09 2.09 2j9pA1 GLU 183 HB3 -0.00 0.11 0.23 -0.04 1.99 2.29 2j9pA1 GLU 183 HG2 -0.00 -0.08 0.15 -0.04 2.34 2.37 2j9pA1 GLU 183 HG3 -0.00 -0.03 -0.00 -0.04 2.34 2.26 2j9pA1 PRO 184 HA -0.00 -0.09 0.44 -0.51 4.44 4.28 2j9pA1 PRO 184 HB2 -0.00 0.20 -0.20 -0.04 2.28 2.24 2j9pA1 PRO 184 HB3 -0.00 -0.08 -0.13 -0.04 2.02 1.78 2j9pA1 PRO 184 HG2 -0.00 0.03 -0.20 -0.04 2.03 1.82 2j9pA1 PRO 184 HG3 -0.00 -0.04 -0.27 -0.04 2.03 1.68 2j9pA1 PRO 184 HD2 -0.00 0.16 -0.28 -0.04 3.68 3.51 2j9pA1 PRO 184 HD3 -0.00 -0.05 -0.23 -0.04 3.65 3.33 2j9pA1 ALA 185 H -0.00 0.29 0.10 -0.55 8.40 8.24 2j9pA1 ALA 185 HA -0.01 0.05 0.48 -0.75 4.34 4.11 2j9pA1 ALA 185 HB3 -0.01 -0.02 -0.01 -0.04 1.41 1.33 2j9pA1 VAL 186 H -0.01 0.16 0.09 -0.55 8.24 7.93 2j9pA1 VAL 186 HA -0.02 0.31 0.97 -0.75 4.13 4.64 2j9pA1 VAL 186 HB -0.01 -0.04 0.05 -0.04 2.12 2.08 2j9pA1 VAL 186 HG13 -0.02 -0.02 -0.30 -0.04 0.97 0.59 2j9pA1 VAL 186 HG23 -0.01 0.03 -0.37 -0.04 0.95 0.56 2j9pA1 SER 187 H -0.03 0.68 0.25 -0.55 8.46 8.82 2j9pA1 SER 187 HA -0.02 0.11 0.72 -0.75 4.49 4.54 2j9pA1 SER 187 HB2 -0.02 0.00 0.02 -0.04 3.95 3.91 2j9pA1 SER 187 HB3 -0.04 -0.03 0.13 -0.04 3.93 3.95 2j9pA1 VAL 188 H -0.02 0.19 0.14 -0.55 8.24 8.00 2j9pA1 VAL 188 HA -0.06 0.37 1.06 -0.75 4.13 4.75 2j9pA1 VAL 188 HB 0.00 -0.07 0.10 -0.04 2.12 2.12 2j9pA1 VAL 188 HG13 0.00 0.07 -0.23 -0.04 0.97 0.77 2j9pA1 VAL 188 HG23 -0.02 -0.00 -0.26 -0.04 0.95 0.63 2j9pA1 SER 189 H -0.09 0.70 0.26 -0.55 8.46 8.78 2j9pA1 SER 189 HA 0.00 0.04 0.89 -0.75 4.49 4.66 2j9pA1 SER 189 HB2 -0.10 -0.04 0.11 -0.04 3.95 3.87 2j9pA1 SER 189 HB3 -0.03 0.01 0.05 -0.04 3.93 3.92 2j9pA1 PRO 190 HA 0.04 0.04 0.40 -0.51 4.44 4.41 2j9pA1 PRO 190 HB2 0.08 0.11 0.01 -0.04 2.28 2.43 2j9pA1 PRO 190 HB3 0.07 -0.01 0.11 -0.04 2.02 2.16 2j9pA1 PRO 190 HG2 0.26 0.03 -0.16 -0.04 2.03 2.12 2j9pA1 PRO 190 HG3 0.11 0.01 -0.03 -0.04 2.03 2.08 2j9pA1 PRO 190 HD2 0.24 0.17 0.49 -0.04 3.68 4.54 2j9pA1 PRO 190 HD3 0.13 0.07 0.10 -0.04 3.65 3.91 2j9pA1 LYS 191 H 0.04 0.08 0.15 -0.55 8.42 8.14 2j9pA1 LYS 191 HA 0.04 0.15 0.60 -0.75 4.32 4.35 2j9pA1 LYS 191 HB2 0.03 -0.03 0.16 -0.04 1.87 1.99 2j9pA1 LYS 191 HB3 0.03 0.03 0.07 -0.04 1.79 1.87 2j9pA1 LYS 191 HG2 0.01 0.08 0.10 -0.04 1.46 1.62 2j9pA1 LYS 191 HG3 0.02 -0.10 0.15 -0.04 1.46 1.49 2j9pA1 LYS 191 HD2 0.02 -0.02 0.05 -0.04 1.69 1.70 2j9pA1 LYS 191 HD3 0.01 0.02 0.04 -0.04 1.68 1.71 2j9pA1 LYS 191 HE2 0.01 0.00 0.02 -0.04 2.99 2.97 2j9pA1 LYS 191 HE3 0.01 0.01 0.03 -0.04 2.99 2.99 2j9pA1 THR 192 H 0.07 0.28 0.18 -0.55 8.28 8.26 2j9pA1 THR 192 HA 0.10 0.18 0.80 -0.75 4.39 4.72 2j9pA1 THR 192 HB 0.18 0.05 -0.24 -0.04 4.32 4.27 2j9pA1 THR 192 HG23 0.30 -0.19 0.00 -0.04 1.22 1.29 2j9pA1 ASP 193 H 0.14 0.15 0.13 -0.55 8.40 8.28 2j9pA1 ASP 193 HA 0.06 0.26 0.79 -0.75 4.63 4.99 2j9pA1 ASP 193 HB2 0.11 -0.01 0.05 -0.04 2.71 2.82 2j9pA1 ASP 193 HB3 0.07 0.02 0.11 -0.04 2.70 2.85 2j9pA1 TYR 194 H 0.27 0.00 -0.10 -0.55 8.29 7.91 2j9pA1 TYR 194 HA 0.08 0.15 0.57 -0.75 4.56 4.61 2j9pA1 TYR 194 HB2 0.17 -0.06 0.04 -0.04 3.06 3.16 2j9pA1 TYR 194 HB3 0.16 0.04 0.09 -0.04 2.98 3.23 2j9pA1 TYR 194 HD2 0.11 0.01 -0.04 -0.04 7.15 7.19 2j9pA1 TYR 194 HE2 0.11 0.14 0.07 -0.04 6.85 7.12 2j9pA1 ILE 195 H 0.05 0.23 -1.15 -0.55 8.25 6.84 2j9pA1 ILE 195 HA 0.00 0.25 0.46 -0.75 4.18 4.14 2j9pA1 ILE 195 HB 0.06 -0.11 -0.29 -0.04 1.89 1.50 2j9pA1 ILE 195 HG12 0.01 0.38 -0.06 -0.04 1.49 1.78 2j9pA1 ILE 195 HG13 -0.04 -0.04 -0.20 -0.04 1.21 0.88 2j9pA1 ILE 195 HG23 0.01 -0.02 -0.36 -0.04 0.93 0.51 2j9pA1 ILE 195 HD13 -0.00 0.01 -0.08 -0.04 0.88 0.77 2j9pA1 THR 196 H -0.02 0.35 0.31 -0.55 8.28 8.37 2j9pA1 THR 196 HA -0.00 0.20 0.98 -0.75 4.39 4.82 2j9pA1 THR 196 HB -0.02 0.05 0.07 -0.04 4.32 4.38 2j9pA1 THR 196 HG23 -0.02 0.02 -0.09 -0.04 1.22 1.09 2j9pA1 ILE 197 H -0.01 0.16 0.15 -0.55 8.25 8.00 2j9pA1 ILE 197 HA -0.01 0.27 0.79 -0.75 4.18 4.48 2j9pA1 ILE 197 HB -0.01 -0.02 0.08 -0.04 1.89 1.90 2j9pA1 ILE 197 HG12 -0.00 -0.01 -0.08 -0.04 1.49 1.35 2j9pA1 ILE 197 HG13 -0.01 0.05 -0.10 -0.04 1.21 1.11 2j9pA1 ILE 197 HG23 -0.01 -0.01 -0.19 -0.04 0.93 0.68 2j9pA1 ILE 197 HD13 -0.01 0.00 -0.20 -0.04 0.88 0.64 2j9pA1 LYS 198 H -0.02 0.61 0.33 -0.55 8.42 8.79 2j9pA1 LYS 198 HA -0.02 0.14 0.84 -0.75 4.32 4.53 2j9pA1 LYS 198 HB2 -0.02 0.03 -0.13 -0.04 1.87 1.71 2j9pA1 LYS 198 HB3 -0.02 -0.08 0.20 -0.04 1.79 1.84 2j9pA1 LYS 198 HG2 -0.02 -0.04 -0.15 -0.04 1.46 1.21 2j9pA1 LYS 198 HG3 -0.02 0.03 -0.01 -0.04 1.46 1.43 2j9pA1 LYS 198 HD2 -0.03 0.01 -0.06 -0.04 1.69 1.57 2j9pA1 LYS 198 HD3 -0.03 -0.04 -0.03 -0.04 1.68 1.54 2j9pA1 LYS 198 HE2 -0.02 0.00 -0.04 -0.04 2.99 2.89 2j9pA1 LYS 198 HE3 -0.02 0.02 -0.03 -0.04 2.99 2.91 2j9pA1 ASN 199 H -0.01 0.21 0.03 -0.55 8.53 8.20 2j9pA1 ASN 199 HA -0.01 0.27 0.98 -0.75 4.76 5.25 2j9pA1 ASN 199 HB2 -0.01 -0.02 0.03 -0.04 2.88 2.84 2j9pA1 ASN 199 HB3 -0.01 0.02 0.26 -0.04 2.79 3.02 2j9pA1 ASN 199 HD21 -0.01 0.29 -0.15 -0.04 7.03 7.13 2j9pA1 ASN 199 HD22 -0.01 -0.08 -0.07 -0.04 7.74 7.55 2j9pA1 ASP 200 H -0.01 0.40 0.05 -0.55 8.40 8.28 2j9pA1 ASP 200 HA -0.01 0.15 0.71 -0.75 4.63 4.72 2j9pA1 ASP 200 HB2 -0.01 -0.01 0.18 -0.04 2.71 2.83 2j9pA1 ASP 200 HB3 -0.01 -0.01 0.20 -0.04 2.70 2.84 2j9pA1 ALA 201 H -0.01 0.21 -0.74 -0.55 8.40 7.32 2j9pA1 ALA 201 HA -0.00 0.23 0.90 -0.75 4.34 4.71 2j9pA1 ALA 201 HB3 -0.01 -0.04 -0.33 -0.04 1.41 0.99 2j9pA1 LYS 202 H -0.00 0.35 0.14 -0.55 8.42 8.35 2j9pA1 LYS 202 HA -0.00 0.12 0.53 -0.75 4.32 4.21 2j9pA1 LYS 202 HB2 -0.00 0.01 -0.16 -0.04 1.87 1.67 2j9pA1 LYS 202 HB3 -0.00 0.16 -0.21 -0.04 1.79 1.70 2j9pA1 LYS 202 HG2 -0.00 0.06 -0.00 -0.04 1.46 1.47 2j9pA1 LYS 202 HG3 -0.00 -0.08 -0.17 -0.04 1.46 1.16 2j9pA1 LYS 202 HD2 -0.00 -0.05 -0.07 -0.04 1.69 1.52 2j9pA1 LYS 202 HD3 -0.00 0.01 -0.08 -0.04 1.68 1.57 2j9pA1 LYS 202 HE2 -0.00 0.15 -0.39 -0.04 2.99 2.71 2j9pA1 LYS 202 HE3 -0.00 0.03 -0.22 -0.04 2.99 2.76 2j9pA1 THR 203 H -0.00 0.66 0.04 -0.55 8.28 8.43 2j9pA1 THR 203 HA 0.00 0.38 0.77 -0.75 4.39 4.78 2j9pA1 THR 203 HB 0.00 -0.03 -0.04 -0.04 4.32 4.21 2j9pA1 THR 203 HG23 0.00 -0.07 0.00 -0.04 1.22 1.11 2j9pA1 THR 204 H 0.00 0.31 -0.14 -0.55 8.28 7.90 2j9pA1 THR 204 HA 0.00 0.15 0.76 -0.75 4.39 4.55 2j9pA1 THR 204 HB 0.00 -0.06 0.10 -0.04 4.32 4.32 2j9pA1 THR 204 HG23 0.00 0.04 -0.14 -0.04 1.22 1.08 2j9pA1 ALA 205 H 0.00 0.15 0.14 -0.55 8.40 8.14 2j9pA1 ALA 205 HA 0.00 0.03 0.56 -0.75 4.34 4.18 2j9pA1 ALA 205 HB3 0.00 0.03 0.13 -0.04 1.41 1.53 2j9pA1 ALA 206 H 0.00 0.10 0.21 -0.55 8.40 8.16 2j9pA1 ALA 206 HA 0.00 -0.06 0.38 -0.75 4.34 3.90 2j9pA1 ALA 206 HB3 0.00 0.03 0.10 -0.04 1.41 1.50 2j9pA1 GLY 207 H 0.00 0.16 0.11 -0.55 8.43 8.15 2j9pA1 GLY 207 HA2 0.00 -0.00 0.39 -0.51 4.01 3.89 2j9pA1 GLY 207 HA3 0.00 0.17 0.83 -0.51 4.01 4.50 2j9pA1 SER 208 H 0.00 0.43 -0.30 -0.55 8.46 8.05 2j9pA1 SER 208 HA 0.00 0.03 0.37 -0.75 4.49 4.14 2j9pA1 SER 208 HB2 0.00 -0.05 -0.12 -0.04 3.95 3.75 2j9pA1 SER 208 HB3 0.00 -0.02 0.09 -0.04 3.93 3.97 2j9pA1 GLU 209 H 0.01 0.10 0.15 -0.55 8.60 8.31 2j9pA1 GLU 209 HA 0.01 0.23 0.95 -0.75 4.29 4.73 2j9pA1 GLU 209 HB2 0.01 -0.05 0.17 -0.04 2.09 2.17 2j9pA1 GLU 209 HB3 0.01 0.07 -0.01 -0.04 1.99 2.01 2j9pA1 GLU 209 HG2 0.01 0.05 -0.37 -0.04 2.34 1.99 2j9pA1 GLU 209 HG3 0.01 0.02 -0.03 -0.04 2.34 2.30 2j9pA1 LYS 210 H 0.01 0.14 0.16 -0.55 8.42 8.18 2j9pA1 LYS 210 HA 0.01 0.18 0.63 -0.75 4.32 4.38 2j9pA1 LYS 210 HB2 0.02 0.00 0.28 -0.04 1.87 2.13 2j9pA1 LYS 210 HB3 0.02 -0.01 0.14 -0.04 1.79 1.90 2j9pA1 LYS 210 HG2 0.01 0.05 0.07 -0.04 1.46 1.55 2j9pA1 LYS 210 HG3 0.01 -0.05 0.13 -0.04 1.46 1.51 2j9pA1 LYS 210 HD2 0.02 -0.02 0.07 -0.04 1.69 1.72 2j9pA1 LYS 210 HD3 0.02 -0.00 0.02 -0.04 1.68 1.68 2j9pA1 LYS 210 HE2 0.02 -0.11 0.01 -0.04 2.99 2.87 2j9pA1 LYS 210 HE3 0.03 0.08 -0.08 -0.04 2.99 2.97 2j9pA1 ASP 211 H 0.01 0.73 0.46 -0.55 8.40 9.06 2j9pA1 ASP 211 HA 0.01 0.13 0.67 -0.75 4.63 4.68 2j9pA1 ASP 211 HB2 0.01 0.02 0.11 -0.04 2.71 2.81 2j9pA1 ASP 211 HB3 0.01 -0.07 0.26 -0.04 2.70 2.85 2j9pA1 LEU 212 H 0.01 0.05 -0.78 -0.55 8.37 7.11 2j9pA1 LEU 212 HA 0.01 0.33 0.77 -0.75 4.35 4.71 2j9pA1 LEU 212 HB2 0.01 -0.05 -0.04 -0.04 1.64 1.51 2j9pA1 LEU 212 HB3 0.02 -0.01 -0.03 -0.04 1.64 1.57 2j9pA1 LEU 212 HG 0.01 -0.01 -0.16 -0.04 1.64 1.43 2j9pA1 LEU 212 HD13 0.00 0.07 -0.27 -0.04 0.93 0.69 2j9pA1 LEU 212 HD23 0.01 -0.01 -0.13 -0.04 0.89 0.72 2j9pA1 THR 213 H 0.00 0.57 0.28 -0.55 8.28 8.58 2j9pA1 THR 213 HA 0.02 0.13 0.76 -0.75 4.39 4.55 2j9pA1 THR 213 HB -0.01 -0.01 -0.01 -0.04 4.32 4.25 2j9pA1 THR 213 HG23 0.01 0.04 -0.32 -0.04 1.22 0.91 2j9pA1 ILE 214 H 0.03 0.20 0.11 -0.55 8.25 8.04 2j9pA1 ILE 214 HA -0.03 0.35 1.19 -0.75 4.18 4.94 2j9pA1 ILE 214 HB 0.06 -0.03 0.04 -0.04 1.89 1.92 2j9pA1 ILE 214 HG12 0.01 0.03 -0.23 -0.04 1.49 1.25 2j9pA1 ILE 214 HG13 0.03 -0.09 -0.23 -0.04 1.21 0.87 2j9pA1 ILE 214 HG23 0.01 0.01 -0.15 -0.04 0.93 0.76 2j9pA1 ILE 214 HD13 0.02 -0.00 -0.08 -0.04 0.88 0.78 2j9pA1 GLU 215 H -0.09 0.68 0.30 -0.55 8.60 8.94 2j9pA1 GLU 215 HA -0.14 0.11 0.36 -0.75 4.29 3.87 2j9pA1 GLU 215 HB2 -1.27 -0.07 0.04 -0.04 2.09 0.75 2j9pA1 GLU 215 HB3 -1.13 0.15 0.00 -0.04 1.99 0.98 2j9pA1 GLU 215 HG2 -0.25 0.00 -0.31 -0.04 2.34 1.74 2j9pA1 GLU 215 HG3 -0.29 -0.04 -0.22 -0.04 2.34 1.75 2j9pA1 ARG 216 H -0.13 0.17 0.08 -0.55 8.46 8.03 2j9pA1 ARG 216 HA -0.02 0.23 0.86 -0.75 4.34 4.66 2j9pA1 ARG 216 HB2 0.12 0.02 -0.01 -0.04 1.90 1.98 2j9pA1 ARG 216 HB3 0.15 -0.05 0.05 -0.04 1.80 1.90 2j9pA1 ARG 216 HG2 0.03 0.05 -0.23 -0.04 1.67 1.48 2j9pA1 ARG 216 HG3 0.04 -0.06 -0.31 -0.04 1.67 1.30 2j9pA1 ARG 216 HD2 0.13 -0.13 -0.03 -0.04 3.22 3.16 2j9pA1 ARG 216 HD3 0.15 0.18 -0.23 -0.04 3.22 3.28 2j9pA1 GLU 217 H -0.04 0.31 0.18 -0.55 8.60 8.51 2j9pA1 GLU 217 HA 0.01 -0.04 0.35 -0.75 4.29 3.85 2j9pA1 GLU 217 HB2 -0.05 -0.03 0.10 -0.04 2.09 2.06 2j9pA1 GLU 217 HB3 -0.02 0.04 0.00 -0.04 1.99 1.97 2j9pA1 GLU 217 HG2 -0.03 -0.02 0.04 -0.04 2.34 2.29 2j9pA1 GLU 217 HG3 -0.04 0.07 0.11 -0.04 2.34 2.43 2j9pA1 HIS 218 H 0.23 0.05 0.18 -0.55 8.41 8.32 2j9pA1 HIS 218 HA 0.10 0.05 0.40 -0.75 4.63 4.43 2j9pA1 HIS 218 HB2 0.47 0.00 0.18 -0.04 3.26 3.87 2j9pA1 HIS 218 HB3 0.10 -0.02 0.15 -0.04 3.20 3.38 2j9pA1 HIS 218 HD2 0.17 -0.10 0.09 -0.04 6.97 7.08 2j9pA1 HIS 218 HE1 0.08 -0.03 0.03 -0.04 7.75 7.79 2j9pA1 GLY 219 H -0.08 0.14 0.17 -0.55 8.43 8.12 2j9pA1 GLY 219 HA2 -1.97 -0.04 0.40 -0.51 4.01 1.89 2j9pA1 GLY 219 HA3 -0.65 0.11 0.62 -0.51 4.01 3.57 2j9pA1 THR 220 H -0.34 0.54 -0.26 -0.55 8.28 7.67 2j9pA1 THR 220 HA -0.46 0.21 0.92 -0.75 4.39 4.30 2j9pA1 THR 220 HB -0.16 -0.10 0.09 -0.04 4.32 4.12 2j9pA1 THR 220 HG23 -0.18 0.04 -0.13 -0.04 1.22 0.90 2j9pA1 ASN 221 H -0.14 0.16 0.04 -0.55 8.53 8.04 2j9pA1 ASN 221 HA 0.04 0.19 0.83 -0.75 4.76 5.06 2j9pA1 ASN 221 HB2 -0.09 -0.03 0.08 -0.04 2.88 2.80 2j9pA1 ASN 221 HB3 -0.11 -0.02 0.11 -0.04 2.79 2.73 2j9pA1 ASN 221 HD21 0.20 0.29 0.17 -0.04 7.03 7.65 2j9pA1 ASN 221 HD22 -0.31 -0.10 0.06 -0.04 7.74 7.34 2j9pA1 THR 222 H -0.06 0.22 -0.42 -0.55 8.28 7.48 2j9pA1 THR 222 HA -0.03 0.12 1.08 -0.75 4.39 4.80 2j9pA1 THR 222 HB -0.04 0.11 -0.03 -0.04 4.32 4.33 2j9pA1 THR 222 HG23 -0.07 -0.01 -0.18 -0.04 1.22 0.92 2j9pA1 ILE 223 H -0.01 0.42 0.17 -0.55 8.25 8.28 2j9pA1 ILE 223 HA -0.02 0.14 0.72 -0.75 4.18 4.27 2j9pA1 ILE 223 HB -0.01 -0.04 0.03 -0.04 1.89 1.83 2j9pA1 ILE 223 HG12 0.02 0.03 -0.21 -0.04 1.49 1.29 2j9pA1 ILE 223 HG13 0.00 -0.06 -0.14 -0.04 1.21 0.97 2j9pA1 ILE 223 HG23 -0.00 -0.02 -0.29 -0.04 0.93 0.57 2j9pA1 ILE 223 HD13 0.00 0.02 -0.17 -0.04 0.88 0.69 2j9pA1 THR 224 H -0.05 0.74 0.48 -0.55 8.28 8.90 2j9pA1 THR 224 HA -0.03 0.13 1.03 -0.75 4.39 4.77 2j9pA1 THR 224 HB -0.04 0.03 0.00 -0.04 4.32 4.28 2j9pA1 THR 224 HG23 -0.04 -0.01 -0.02 -0.04 1.22 1.12 2j9pA1 ILE 225 H -0.02 0.77 0.40 -0.55 8.25 8.85 2j9pA1 ILE 225 HA -0.02 0.20 0.98 -0.75 4.18 4.59 2j9pA1 ILE 225 HB -0.01 -0.03 -0.10 -0.04 1.89 1.71 2j9pA1 ILE 225 HG12 -0.00 -0.02 -0.07 -0.04 1.49 1.36 2j9pA1 ILE 225 HG13 -0.01 0.00 -0.15 -0.04 1.21 1.02 2j9pA1 ILE 225 HG23 -0.01 0.03 -0.06 -0.04 0.93 0.85 2j9pA1 ILE 225 HD13 -0.00 0.01 -0.23 -0.04 0.88 0.62 2j9pA1 GLU 226 H -0.02 0.56 0.29 -0.55 8.60 8.89 2j9pA1 GLU 226 HA -0.01 0.15 0.51 -0.75 4.29 4.19 2j9pA1 GLU 226 HB2 -0.02 0.00 -0.04 -0.04 2.09 1.99 2j9pA1 GLU 226 HB3 -0.01 -0.04 0.13 -0.04 1.99 2.03 2j9pA1 GLU 226 HG2 -0.02 0.04 -0.08 -0.04 2.34 2.24 2j9pA1 GLU 226 HG3 -0.02 -0.08 -0.57 -0.04 2.34 1.62 2j9pA1 GLY 227 H -0.01 0.25 0.21 -0.55 8.43 8.34 2j9pA1 GLY 227 HA2 -0.00 -0.00 0.40 -0.51 4.01 3.90 2j9pA1 GLY 227 HA3 0.00 0.51 1.01 -0.51 4.01 5.02 2j9pA1 SER 228 H 0.00 0.22 -0.15 -0.55 8.46 7.98 2j9pA1 SER 228 HA 0.00 0.26 0.75 -0.75 4.49 4.74 2j9pA1 SER 228 HB2 0.00 -0.04 -0.03 -0.04 3.95 3.84 2j9pA1 SER 228 HB3 0.00 0.09 -0.14 -0.04 3.93 3.85 2j9pA1 VAL 229 H 0.00 0.60 0.20 -0.55 8.24 8.49 2j9pA1 VAL 229 HA 0.01 0.15 0.79 -0.75 4.13 4.33 2j9pA1 VAL 229 HB 0.01 -0.01 -0.15 -0.04 2.12 1.93 2j9pA1 VAL 229 HG13 0.00 -0.02 -0.19 -0.04 0.97 0.72 2j9pA1 VAL 229 HG23 0.01 0.04 -0.25 -0.04 0.95 0.71 2j9pA1 PRO 230 HA 0.00 0.18 0.38 -0.51 4.44 4.49 2j9pA1 PRO 230 HB2 0.00 -0.23 -0.15 -0.04 2.28 1.87 2j9pA1 PRO 230 HB3 0.00 0.12 -0.20 -0.04 2.02 1.90 2j9pA1 PRO 230 HG2 0.01 -0.08 -0.06 -0.04 2.03 1.86 2j9pA1 PRO 230 HG3 0.01 0.58 -0.16 -0.04 2.03 2.42 2j9pA1 PRO 230 HD2 0.01 0.06 -0.07 -0.04 3.68 3.64 2j9pA1 PRO 230 HD3 0.01 0.21 -0.35 -0.04 3.65 3.48 2j9pA1 VAL 231 H 0.00 0.48 0.15 -0.55 8.24 8.32 2j9pA1 VAL 231 HA 0.00 0.15 0.33 -0.75 4.13 3.86 2j9pA1 VAL 231 HB 0.00 0.02 0.04 -0.04 2.12 2.14 2j9pA1 VAL 231 HG13 0.00 0.08 -0.11 -0.04 0.97 0.90 2j9pA1 VAL 231 HG23 0.00 -0.01 0.02 -0.04 0.95 0.93 2j9pA1 ASP 232 H 0.00 -0.08 -0.53 -0.55 8.40 7.25 2j9pA1 ASP 232 HA 0.00 0.25 0.74 -0.75 4.63 4.87 2j9pA1 ASP 232 HB2 0.00 0.05 0.12 -0.04 2.71 2.85 2j9pA1 ASP 232 HB3 0.00 -0.12 0.04 -0.04 2.70 2.58 2j9pA1 ALA 233 H 0.01 0.43 -0.37 -0.55 8.40 7.92 2j9pA1 ALA 233 HA 0.01 0.05 0.54 -0.75 4.34 4.19 2j9pA1 ALA 233 HB3 0.01 -0.00 0.06 -0.04 1.41 1.43 2j9pA1 ASN 234 H 0.01 0.03 0.15 -0.55 8.53 8.18 2j9pA1 ASN 234 HA 0.01 0.16 0.71 -0.75 4.76 4.89 2j9pA1 ASN 234 HB2 0.02 0.07 0.07 -0.04 2.88 3.00 2j9pA1 ASN 234 HB3 0.01 -0.08 0.18 -0.04 2.79 2.86 2j9pA1 ASN 234 HD21 0.01 -0.00 0.03 -0.04 7.03 7.03 2j9pA1 ASN 234 HD22 0.02 0.01 0.05 -0.04 7.74 7.78 2j9pA1 LYS 235 H 0.01 0.04 0.12 -0.55 8.42 8.04 2j9pA1 LYS 235 HA 0.01 0.33 0.48 -0.75 4.32 4.39 2j9pA1 LYS 235 HB2 0.00 -0.04 -0.12 -0.04 1.87 1.67 2j9pA1 LYS 235 HB3 0.00 0.02 -0.01 -0.04 1.79 1.76 2j9pA1 LYS 235 HG2 0.01 -0.03 0.06 -0.04 1.46 1.47 2j9pA1 LYS 235 HG3 0.02 -0.03 -0.18 -0.04 1.46 1.23 2j9pA1 LYS 235 HD2 0.00 -0.02 -0.14 -0.04 1.69 1.50 2j9pA1 LYS 235 HD3 0.00 0.02 -0.07 -0.04 1.68 1.59 2j9pA1 LYS 235 HE2 0.02 0.00 -0.05 -0.04 2.99 2.92 2j9pA1 LYS 235 HE3 0.02 0.01 -0.02 -0.04 2.99 2.96 2j9pA1 THR 236 H 0.01 0.38 0.18 -0.55 8.28 8.30 2j9pA1 THR 236 HA 0.04 0.13 0.81 -0.75 4.39 4.62 2j9pA1 THR 236 HB 0.02 -0.06 0.24 -0.04 4.32 4.48 2j9pA1 THR 236 HG23 0.05 -0.01 -0.10 -0.04 1.22 1.12 2j9pA1 LYS 237 H 0.07 0.23 -0.00 -0.55 8.42 8.16 2j9pA1 LYS 237 HA -0.05 0.24 0.85 -0.75 4.32 4.61 2j9pA1 LYS 237 HB2 0.03 -0.03 -0.07 -0.04 1.87 1.75 2j9pA1 LYS 237 HB3 0.15 0.01 0.14 -0.04 1.79 2.05 2j9pA1 LYS 237 HG2 -0.37 -0.00 -0.20 -0.04 1.46 0.85 2j9pA1 LYS 237 HG3 -0.17 0.00 -0.14 -0.04 1.46 1.12 2j9pA1 LYS 237 HD2 0.02 0.00 -0.08 -0.04 1.69 1.59 2j9pA1 LYS 237 HD3 0.19 -0.00 -0.06 -0.04 1.68 1.77 2j9pA1 LYS 237 HE2 -0.34 -0.02 -0.12 -0.04 2.99 2.48 2j9pA1 LYS 237 HE3 -0.13 0.01 -0.11 -0.04 2.99 2.72 2j9pA1 GLU 238 H -0.01 0.56 0.20 -0.55 8.60 8.81 2j9pA1 GLU 238 HA 0.37 0.14 1.00 -0.75 4.29 5.04 2j9pA1 GLU 238 HB2 0.10 0.04 0.05 -0.04 2.09 2.24 2j9pA1 GLU 238 HB3 0.20 0.04 -0.09 -0.04 1.99 2.10 2j9pA1 GLU 238 HG2 0.20 0.01 0.01 -0.04 2.34 2.52 2j9pA1 GLU 238 HG3 0.14 -0.05 -0.35 -0.04 2.34 2.03 2j9pA1 TRP 239 H 0.67 0.12 0.15 -0.55 7.97 8.36 2j9pA1 TRP 239 HA 0.03 0.22 0.73 -0.75 4.62 4.84 2j9pA1 TRP 239 HB2 -0.12 -0.08 0.22 -0.04 3.23 3.21 2j9pA1 TRP 239 HB3 0.04 0.05 0.02 -0.04 3.23 3.29 2j9pA1 TRP 239 HD1 -0.01 0.08 -0.09 -0.04 7.22 7.15 2j9pA1 TRP 239 HE1 -0.05 -0.13 -0.10 -0.04 10.20 9.88 2j9pA1 TRP 239 HE3 -0.07 -0.08 -0.03 -0.04 7.59 7.37 2j9pA1 TRP 239 HZ2 -0.06 -0.06 -0.09 -0.04 7.44 7.18 2j9pA1 TRP 239 HZ3 -0.05 0.14 -0.08 -0.04 7.13 7.11 2j9pA1 TRP 239 HH2 -0.05 0.01 -0.07 -0.04 7.19 7.03 2j9pA1 ILE 240 H 0.06 0.50 0.38 -0.55 8.25 8.64 2j9pA1 ILE 240 HA 0.18 0.21 0.92 -0.75 4.18 4.73 2j9pA1 ILE 240 HB 0.05 -0.02 0.03 -0.04 1.89 1.91 2j9pA1 ILE 240 HG12 0.07 0.09 -0.12 -0.04 1.49 1.50 2j9pA1 ILE 240 HG13 0.07 -0.07 -0.19 -0.04 1.21 0.99 2j9pA1 ILE 240 HG23 0.15 0.05 -0.09 -0.04 0.93 0.99 2j9pA1 ILE 240 HD13 0.23 0.00 -0.35 -0.04 0.88 0.72 2j9pA1 SER 241 H 0.10 0.66 0.20 -0.55 8.46 8.88 2j9pA1 SER 241 HA 0.08 0.15 0.67 -0.75 4.49 4.64 2j9pA1 SER 241 HB2 0.08 -0.04 0.32 -0.04 3.95 4.27 2j9pA1 SER 241 HB3 0.04 0.12 0.09 -0.04 3.93 4.14 2j9pA1 VAL 242 H 0.06 0.45 0.36 -0.55 8.24 8.56 2j9pA1 VAL 242 HA 0.07 0.15 0.83 -0.75 4.13 4.43 2j9pA1 VAL 242 HB -0.01 -0.09 -0.11 -0.04 2.12 1.87 2j9pA1 VAL 242 HG13 0.17 0.02 -0.22 -0.04 0.97 0.89 2j9pA1 VAL 242 HG23 -0.62 0.02 -0.34 -0.04 0.95 -0.03 2j9pA1 TRP 243 H 0.32 0.20 0.08 -0.55 7.97 8.02 2j9pA1 TRP 243 HA 0.09 0.08 0.68 -0.75 4.62 4.71 2j9pA1 TRP 243 HB2 0.07 0.16 -0.07 -0.04 3.23 3.34 2j9pA1 TRP 243 HB3 0.04 -0.05 -0.00 -0.04 3.23 3.17 2j9pA1 TRP 243 HD1 0.04 -0.06 -0.14 -0.04 7.22 7.03 2j9pA1 TRP 243 HE1 0.05 -0.05 -0.00 -0.04 10.20 10.16 2j9pA1 TRP 243 HE3 0.13 0.07 -0.03 -0.04 7.59 7.72 2j9pA1 TRP 243 HZ2 0.05 -0.02 0.05 -0.04 7.44 7.48 2j9pA1 TRP 243 HZ3 0.23 -0.02 0.05 -0.04 7.13 7.36 2j9pA1 TRP 243 HH2 0.11 -0.02 0.05 -0.04 7.19 7.29 2j9pA1 GLU 244 H -0.22 0.19 0.13 -0.55 8.60 8.15 2j9pA1 GLU 244 HA -0.09 0.05 0.42 -0.75 4.29 3.91 2j9pA1 GLU 244 HB2 0.31 0.40 0.39 -0.04 2.09 3.15 2j9pA1 GLU 244 HB3 0.14 -0.19 0.18 -0.04 1.99 2.08 2j9pA1 GLU 244 HG2 -0.13 0.00 0.04 -0.04 2.34 2.21 2j9pA1 GLU 244 HG3 -0.55 -0.02 -0.23 -0.04 2.34 1.49 2j9pA1 PRO 245 HA 0.24 0.11 0.49 -0.51 4.44 4.76 2j9pA1 PRO 245 HB2 0.15 -0.05 0.08 -0.04 2.28 2.42 2j9pA1 PRO 245 HB3 0.15 0.14 0.11 -0.04 2.02 2.38 2j9pA1 PRO 245 HG2 0.06 0.03 -0.08 -0.04 2.03 2.00 2j9pA1 PRO 245 HG3 0.07 0.14 -0.23 -0.04 2.03 1.97 2j9pA1 PRO 245 HD2 -0.01 0.08 0.19 -0.04 3.68 3.90 2j9pA1 PRO 245 HD3 0.03 0.26 0.13 -0.04 3.65 4.02 2j9pA1 ALA 246 H 0.04 0.10 -0.27 -0.55 8.40 7.73 2j9pA1 ALA 246 HA -0.01 0.26 0.43 -0.75 4.34 4.27 2j9pA1 ALA 246 HB3 0.01 0.00 0.04 -0.04 1.41 1.42 2j9pA1 GLY 247 H -0.03 0.24 -0.23 -0.55 8.43 7.86 2j9pA1 GLY 247 HA2 -0.22 0.08 0.50 -0.51 4.01 3.86 2j9pA1 GLY 247 HA3 -0.48 0.14 0.26 -0.51 4.01 3.43 2j9pA1 TYR 248 H -0.20 0.30 -0.17 -0.55 8.29 7.66 2j9pA1 TYR 248 HA -0.34 0.02 0.28 -0.75 4.56 3.77 2j9pA1 TYR 248 HB2 0.12 0.13 0.03 -0.04 3.06 3.30 2j9pA1 TYR 248 HB3 -0.02 0.03 0.10 -0.04 2.98 3.05 2j9pA1 TYR 248 HD2 0.08 -0.10 -0.05 -0.04 7.15 7.04 2j9pA1 TYR 248 HE2 0.09 0.07 -0.14 -0.04 6.85 6.83 2j9pA1 ALA 249 H -0.09 0.55 -0.28 -0.55 8.40 8.03 2j9pA1 ALA 249 HA -0.44 0.02 0.20 -0.75 4.34 3.37 2j9pA1 ALA 249 HB3 -0.09 -0.01 -0.24 -0.04 1.41 1.03 2j9pA1 LEU 250 H -0.22 0.39 -0.49 -0.55 8.37 7.51 2j9pA1 LEU 250 HA -0.19 -0.02 0.31 -0.75 4.35 3.70 2j9pA1 LEU 250 HB2 -0.11 0.15 0.14 -0.04 1.64 1.78 2j9pA1 LEU 250 HB3 -0.16 0.11 0.13 -0.04 1.64 1.68 2j9pA1 LEU 250 HG -0.04 -0.01 -0.19 -0.04 1.64 1.37 2j9pA1 LEU 250 HD13 0.00 -0.03 -0.19 -0.04 0.93 0.67 2j9pA1 LEU 250 HD23 -0.02 0.00 -0.10 -0.04 0.89 0.73 2j9pA1 ASP 251 H -0.25 0.73 -0.24 -0.55 8.40 8.09 2j9pA1 ASP 251 HA -0.07 -0.00 0.37 -0.75 4.63 4.17 2j9pA1 ASP 251 HB2 -0.08 0.01 0.03 -0.04 2.71 2.64 2j9pA1 ASP 251 HB3 -0.08 0.18 0.10 -0.04 2.70 2.85 2j9pA1 LEU 252 H -0.27 0.46 -0.22 -0.55 8.37 7.79 2j9pA1 LEU 252 HA -0.07 0.05 0.47 -0.75 4.35 4.05 2j9pA1 LEU 252 HB2 -0.44 0.18 0.14 -0.04 1.64 1.48 2j9pA1 LEU 252 HB3 -0.10 -0.06 -0.08 -0.04 1.64 1.36 2j9pA1 LEU 252 HG 0.02 -0.08 -0.02 -0.04 1.64 1.53 2j9pA1 LEU 252 HD13 -0.04 0.01 -0.08 -0.04 0.93 0.78 2j9pA1 LEU 252 HD23 -0.43 0.02 -0.21 -0.04 0.89 0.23 2j9pA1 PHE 253 H -0.35 0.51 -0.19 -0.55 8.34 7.76 2j9pA1 PHE 253 HA -0.18 -0.00 0.40 -0.75 4.62 4.08 2j9pA1 PHE 253 HB2 -0.72 -0.00 0.05 -0.04 3.15 2.44 2j9pA1 PHE 253 HB3 -0.29 0.19 0.07 -0.04 3.06 2.99 2j9pA1 PHE 253 HD2 -0.02 -0.00 -0.04 -0.04 7.28 7.18 2j9pA1 PHE 253 HE2 0.01 -0.04 -0.13 -0.04 7.38 7.18 2j9pA1 PHE 253 HZ 0.01 0.03 -0.15 -0.04 7.32 7.16 2j9pA1 LYS 254 H -0.08 0.41 -0.21 -0.55 8.42 7.98 2j9pA1 LYS 254 HA -0.18 0.02 0.36 -0.75 4.32 3.76 2j9pA1 LYS 254 HB2 -0.06 0.01 0.09 -0.04 1.87 1.87 2j9pA1 LYS 254 HB3 -0.06 0.17 0.15 -0.04 1.79 2.01 2j9pA1 LYS 254 HG2 -0.05 0.00 -0.13 -0.04 1.46 1.24 2j9pA1 LYS 254 HG3 -0.07 -0.01 0.02 -0.04 1.46 1.36 2j9pA1 LYS 254 HD2 -0.02 0.02 -0.01 -0.04 1.69 1.64 2j9pA1 LYS 254 HD3 -0.02 -0.04 -0.02 -0.04 1.68 1.57 2j9pA1 LYS 254 HE2 0.02 -0.03 -0.01 -0.04 2.99 2.94 2j9pA1 LYS 254 HE3 -0.00 0.02 0.03 -0.04 2.99 3.00 2j9pA1 GLN 255 H -0.07 0.44 -0.28 -0.55 8.47 8.01 2j9pA1 GLN 255 HA -0.04 -0.01 0.38 -0.75 4.36 3.94 2j9pA1 GLN 255 HB2 -0.02 0.21 0.24 -0.04 2.15 2.54 2j9pA1 GLN 255 HB3 -0.01 -0.06 -0.02 -0.04 2.02 1.90 2j9pA1 GLN 255 HG2 -0.00 -0.05 0.03 -0.04 2.40 2.34 2j9pA1 GLN 255 HG3 -0.01 0.01 0.07 -0.04 2.39 2.41 2j9pA1 GLN 255 HE21 0.05 -0.02 0.04 -0.04 6.97 7.01 2j9pA1 GLN 255 HE22 0.02 -0.02 -0.03 -0.04 7.69 7.62 2j9pA1 SER 256 H -0.04 0.56 -0.05 -0.55 8.46 8.38 2j9pA1 SER 256 HA 0.00 -0.03 0.32 -0.75 4.49 4.03 2j9pA1 SER 256 HB2 0.00 0.07 0.13 -0.04 3.95 4.11 2j9pA1 SER 256 HB3 0.06 0.01 -0.09 -0.04 3.93 3.88 2j9pA1 LEU 257 H -0.28 0.57 -0.19 -0.55 8.37 7.92 2j9pA1 LEU 257 HA -0.15 0.01 0.44 -0.75 4.35 3.89 2j9pA1 LEU 257 HB2 -0.27 0.11 0.13 -0.04 1.64 1.57 2j9pA1 LEU 257 HB3 -0.20 0.06 0.01 -0.04 1.64 1.47 2j9pA1 LEU 257 HG -0.97 0.08 0.03 -0.04 1.64 0.74 2j9pA1 LEU 257 HD13 -0.50 -0.02 -0.10 -0.04 0.93 0.26 2j9pA1 LEU 257 HD23 -0.31 -0.03 -0.06 -0.04 0.89 0.45 2j9pA1 LYS 258 H -0.12 0.63 -0.01 -0.55 8.42 8.37 2j9pA1 LYS 258 HA -0.06 0.00 0.25 -0.75 4.32 3.76 2j9pA1 LYS 258 HB2 -0.06 0.05 0.10 -0.04 1.87 1.92 2j9pA1 LYS 258 HB3 -0.05 0.06 0.16 -0.04 1.79 1.92 2j9pA1 LYS 258 HG2 -0.03 0.00 -0.22 -0.04 1.46 1.18 2j9pA1 LYS 258 HG3 -0.03 -0.04 -0.01 -0.04 1.46 1.34 2j9pA1 LYS 258 HD2 -0.02 -0.02 -0.04 -0.04 1.69 1.56 2j9pA1 LYS 258 HD3 -0.02 -0.01 -0.04 -0.04 1.68 1.57 2j9pA1 LYS 258 HE2 -0.01 0.01 -0.06 -0.04 2.99 2.88 2j9pA1 LYS 258 HE3 -0.01 -0.02 -0.03 -0.04 2.99 2.89 2j9pA1 LYS 259 H -0.04 0.66 -0.24 -0.55 8.42 8.25 2j9pA1 LYS 259 HA -0.02 -0.00 0.45 -0.75 4.32 4.00 2j9pA1 LYS 259 HB2 -0.01 0.16 0.08 -0.04 1.87 2.05 2j9pA1 LYS 259 HB3 -0.01 -0.07 0.03 -0.04 1.79 1.70 2j9pA1 LYS 259 HG2 -0.01 -0.07 0.01 -0.04 1.46 1.36 2j9pA1 LYS 259 HG3 -0.01 0.18 0.02 -0.04 1.46 1.61 2j9pA1 LYS 259 HD2 0.01 0.00 -0.09 -0.04 1.69 1.57 2j9pA1 LYS 259 HD3 0.00 -0.04 -0.02 -0.04 1.68 1.58 2j9pA1 LYS 259 HE2 0.01 -0.03 -0.02 -0.04 2.99 2.91 2j9pA1 LYS 259 HE3 0.00 0.00 -0.06 -0.04 2.99 2.90 2j9pA1 GLN 260 H -0.04 0.41 -0.28 -0.55 8.47 8.02 2j9pA1 GLN 260 HA -0.00 0.03 0.60 -0.75 4.36 4.23 2j9pA1 GLN 260 HB2 -0.04 0.09 0.16 -0.04 2.15 2.32 2j9pA1 GLN 260 HB3 -0.00 -0.02 0.10 -0.04 2.02 2.06 2j9pA1 GLN 260 HG2 -0.00 0.01 -0.03 -0.04 2.40 2.34 2j9pA1 GLN 260 HG3 0.00 -0.10 -0.25 -0.04 2.39 2.00 2j9pA1 GLN 260 HE21 0.03 -0.05 -0.01 -0.04 6.97 6.90 2j9pA1 GLN 260 HE22 0.01 -0.02 -0.06 -0.04 7.69 7.58 2j9pA1 GLY 261 H -0.03 0.31 -0.71 -0.55 8.43 7.46 2j9pA1 GLY 261 HA2 -0.03 0.02 0.26 -0.51 4.01 3.76 2j9pA1 GLY 261 HA3 -0.02 0.01 0.43 -0.51 4.01 3.92 2j9pA1 ILE 262 H -0.05 0.48 -0.26 -0.55 8.25 7.86 2j9pA1 ILE 262 HA -0.04 0.32 0.71 -0.75 4.18 4.41 2j9pA1 ILE 262 HB -0.10 -0.17 0.01 -0.04 1.89 1.58 2j9pA1 ILE 262 HG12 -0.03 0.21 -0.12 -0.04 1.49 1.51 2j9pA1 ILE 262 HG13 -0.04 0.01 -0.24 -0.04 1.21 0.89 2j9pA1 ILE 262 HG23 -0.06 -0.01 -0.33 -0.04 0.93 0.49 2j9pA1 ILE 262 HD13 -0.05 -0.04 -0.08 -0.04 0.88 0.66 2j9pA1 THR 263 H -0.04 0.34 0.07 -0.55 8.28 8.11 2j9pA1 THR 263 HA -0.05 0.07 0.39 -0.75 4.39 4.06 2j9pA1 THR 263 HB -0.03 -0.02 0.03 -0.04 4.32 4.26 2j9pA1 THR 263 HG23 -0.02 0.05 0.01 -0.04 1.22 1.21 2j9pA1 VAL 264 H -0.04 0.21 0.04 -0.55 8.24 7.90 2j9pA1 VAL 264 HA -0.05 0.14 0.89 -0.75 4.13 4.35 2j9pA1 VAL 264 HB -0.05 -0.01 0.08 -0.04 2.12 2.11 2j9pA1 VAL 264 HG13 -0.05 -0.01 -0.29 -0.04 0.97 0.58 2j9pA1 VAL 264 HG23 -0.09 0.02 -0.21 -0.04 0.95 0.63 2j9pA1 LYS 265 H -0.03 0.62 0.16 -0.55 8.42 8.62 2j9pA1 LYS 265 HA -0.02 -0.02 0.40 -0.75 4.32 3.93 2j9pA1 LYS 265 HB2 -0.02 0.04 0.30 -0.04 1.87 2.14 2j9pA1 LYS 265 HB3 -0.01 -0.02 0.04 -0.04 1.79 1.75 2j9pA1 LYS 265 HG2 -0.02 -0.02 0.01 -0.04 1.46 1.39 2j9pA1 LYS 265 HG3 -0.02 -0.01 -0.07 -0.04 1.46 1.32 2j9pA1 LYS 265 HD2 -0.01 -0.05 -0.05 -0.04 1.69 1.54 2j9pA1 LYS 265 HD3 -0.01 -0.00 0.01 -0.04 1.68 1.63 2j9pA1 LYS 265 HE2 -0.01 -0.00 -0.07 -0.04 2.99 2.86 2j9pA1 LYS 265 HE3 -0.01 -0.03 -0.03 -0.04 2.99 2.87 2j9pA1 GLY 266 H -0.03 0.32 -0.17 -0.55 8.43 8.01 2j9pA1 GLY 266 HA2 -0.01 -0.01 0.35 -0.51 4.01 3.84 2j9pA1 GLY 266 HA3 -0.02 -0.04 0.15 -0.51 4.01 3.58 2j9pA1 ASP 267 H -0.02 -0.00 0.11 -0.55 8.40 7.94 2j9pA1 ASP 267 HA -0.00 0.33 0.99 -0.75 4.63 5.19 2j9pA1 ASP 267 HB2 0.00 -0.07 -0.00 -0.04 2.71 2.60 2j9pA1 ASP 267 HB3 0.01 0.03 0.04 -0.04 2.70 2.74 2j9pA1 ILE 268 H 0.01 0.23 0.18 -0.55 8.25 8.12 2j9pA1 ILE 268 HA -0.00 0.43 1.11 -0.75 4.18 4.97 2j9pA1 ILE 268 HB -0.00 0.02 0.05 -0.04 1.89 1.92 2j9pA1 ILE 268 HG12 0.03 -0.01 0.15 -0.04 1.49 1.62 2j9pA1 ILE 268 HG13 0.04 -0.01 -0.05 -0.04 1.21 1.15 2j9pA1 ILE 268 HG23 -0.01 0.01 -0.07 -0.04 0.93 0.82 2j9pA1 ILE 268 HD13 0.04 -0.00 -0.04 -0.04 0.88 0.83 2j9pA1 LYS 269 H 0.01 0.64 0.37 -0.55 8.42 8.89 2j9pA1 LYS 269 HA 0.05 0.09 0.61 -0.75 4.32 4.31 2j9pA1 LYS 269 HB2 0.05 0.00 0.12 -0.04 1.87 1.99 2j9pA1 LYS 269 HB3 0.04 0.10 -0.21 -0.04 1.79 1.68 2j9pA1 LYS 269 HG2 0.02 -0.03 -0.29 -0.04 1.46 1.11 2j9pA1 LYS 269 HG3 0.04 0.04 -0.36 -0.04 1.46 1.14 2j9pA1 LYS 269 HD2 0.04 0.05 -0.08 -0.04 1.69 1.66 2j9pA1 LYS 269 HD3 0.03 -0.01 -0.16 -0.04 1.68 1.49 2j9pA1 LYS 269 HE2 0.01 -0.06 -0.15 -0.04 2.99 2.75 2j9pA1 LYS 269 HE3 0.04 -0.01 -0.14 -0.04 2.99 2.84 2j9pA1 THR 270 H 0.05 0.14 0.19 -0.55 8.28 8.12 2j9pA1 THR 270 HA 0.04 0.12 0.68 -0.75 4.39 4.48 2j9pA1 THR 270 HB 0.05 -0.03 0.12 -0.04 4.32 4.41 2j9pA1 THR 270 HG23 0.06 0.00 0.13 -0.04 1.22 1.37 2j9pA1 GLY 271 H 0.06 0.58 0.20 -0.55 8.43 8.74 2j9pA1 GLY 271 HA2 0.06 0.14 0.45 -0.51 4.01 4.16 2j9pA1 GLY 271 HA3 0.11 -0.03 0.22 -0.51 4.01 3.81 2j9pA1 GLU 272 H 0.10 0.21 -0.11 -0.55 8.60 8.26 2j9pA1 GLU 272 HA -0.01 -0.06 0.48 -0.75 4.29 3.95 2j9pA1 GLU 272 HB2 0.01 0.10 -0.01 -0.04 2.09 2.15 2j9pA1 GLU 272 HB3 0.01 -0.03 -0.11 -0.04 1.99 1.81 2j9pA1 GLU 272 HG2 -0.05 0.02 -0.36 -0.04 2.34 1.90 2j9pA1 GLU 272 HG3 -0.03 0.03 -0.15 -0.04 2.34 2.16 2j9pA1 ALA 273 H -0.18 0.05 -0.03 -0.55 8.40 7.69 2j9pA1 ALA 273 HA -1.66 0.03 0.27 -0.75 4.34 2.23 2j9pA1 ALA 273 HB3 -0.39 0.01 -0.06 -0.04 1.41 0.94 2j9pA1 PRO 274 HA -0.09 0.02 0.37 -0.51 4.44 4.23 2j9pA1 PRO 274 HB2 -0.05 0.11 -0.22 -0.04 2.28 2.07 2j9pA1 PRO 274 HB3 -0.03 -0.01 0.03 -0.04 2.02 1.97 2j9pA1 PRO 274 HG2 0.03 0.01 0.03 -0.04 2.03 2.06 2j9pA1 PRO 274 HG3 -0.04 0.07 0.06 -0.04 2.03 2.08 2j9pA1 PRO 274 HD2 -0.46 0.07 0.04 -0.04 3.68 3.29 2j9pA1 PRO 274 HD3 -0.64 0.10 0.13 -0.04 3.65 3.20 2j9pA1 SER 275 H -0.04 0.11 0.12 -0.55 8.46 8.10 2j9pA1 SER 275 HA -0.02 0.10 0.37 -0.75 4.49 4.18 2j9pA1 SER 275 HB2 -0.01 0.04 0.01 -0.04 3.95 3.95 2j9pA1 SER 275 HB3 -0.01 0.02 0.12 -0.04 3.93 4.02 2j9pA1 SER 276 H -0.02 -0.01 -0.35 -0.55 8.46 7.53 2j9pA1 SER 276 HA -0.00 0.19 0.69 -0.75 4.49 4.61 2j9pA1 SER 276 HB2 0.00 0.03 0.10 -0.04 3.95 4.05 2j9pA1 SER 276 HB3 0.00 -0.00 0.02 -0.04 3.93 3.90 2j9pA1 SER 277 H -0.02 0.47 -0.11 -0.55 8.46 8.25 2j9pA1 SER 277 HA 0.03 0.18 0.82 -0.75 4.49 4.76 2j9pA1 SER 277 HB2 0.03 -0.06 -0.11 -0.04 3.95 3.77 2j9pA1 SER 277 HB3 -0.04 -0.10 -0.18 -0.04 3.93 3.56 2j9pA1 ASP 278 H 0.04 0.51 0.30 -0.55 8.40 8.70 2j9pA1 ASP 278 HA 0.01 0.08 0.62 -0.75 4.63 4.59 2j9pA1 ASP 278 HB2 0.03 0.05 0.11 -0.04 2.71 2.86 2j9pA1 ASP 278 HB3 0.02 0.03 -0.09 -0.04 2.70 2.62 2j9pA1 VAL 279 H 0.01 0.16 0.15 -0.55 8.24 8.01 2j9pA1 VAL 279 HA 0.01 0.15 0.75 -0.75 4.13 4.28 2j9pA1 VAL 279 HB -0.01 -0.01 0.18 -0.04 2.12 2.23 2j9pA1 VAL 279 HG13 -0.02 -0.01 -0.19 -0.04 0.97 0.71 2j9pA1 VAL 279 HG23 -0.02 0.01 0.01 -0.04 0.95 0.91 2j9pA1 LEU 280 H 0.03 0.34 0.26 -0.55 8.37 8.45 2j9pA1 LEU 280 HA 0.02 0.04 0.40 -0.75 4.35 4.06 2j9pA1 LEU 280 HB2 0.05 -0.02 -0.07 -0.04 1.64 1.55 2j9pA1 LEU 280 HB3 0.04 0.03 -0.10 -0.04 1.64 1.57 2j9pA1 LEU 280 HG 0.03 0.04 -0.07 -0.04 1.64 1.60 2j9pA1 LEU 280 HD13 0.04 0.01 -0.18 -0.04 0.93 0.75 2j9pA1 LEU 280 HD23 0.05 -0.01 -0.18 -0.04 0.89 0.71 2j9pA1 LEU 281 H 0.01 0.32 0.15 -0.55 8.37 8.30 2j9pA1 LEU 281 HA 0.00 0.17 0.65 -0.75 4.35 4.42 2j9pA1 LEU 281 HB2 0.01 0.02 0.05 -0.04 1.64 1.68 2j9pA1 LEU 281 HB3 0.02 0.14 -0.24 -0.04 1.64 1.53 2j9pA1 LEU 281 HG 0.03 -0.12 -0.02 -0.04 1.64 1.49 2j9pA1 LEU 281 HD13 -0.01 -0.01 -0.39 -0.04 0.93 0.48 2j9pA1 LEU 281 HD23 0.06 0.01 -0.14 -0.04 0.89 0.77 2j9pA1 SER 282 H -0.01 0.26 0.18 -0.55 8.46 8.34 2j9pA1 SER 282 HA -0.03 0.20 1.07 -0.75 4.49 4.97 2j9pA1 SER 282 HB2 -0.04 0.01 -0.10 -0.04 3.95 3.78 2j9pA1 SER 282 HB3 -0.04 0.00 0.03 -0.04 3.93 3.88 2j9pA1 HIS 283 H -0.01 0.46 0.28 -0.55 8.41 8.59 2j9pA1 HIS 283 HA -0.08 0.16 0.98 -0.75 4.63 4.94 2j9pA1 HIS 283 HB2 -0.08 0.02 -0.14 -0.04 3.26 3.02 2j9pA1 HIS 283 HB3 -0.11 0.02 0.14 -0.04 3.20 3.21 2j9pA1 HIS 283 HD2 -0.15 -0.10 -0.17 -0.04 6.97 6.50 2j9pA1 HIS 283 HE1 -0.08 -0.02 -0.02 -0.04 7.75 7.59 2j9pA1 ARG 284 H -0.31 0.17 0.15 -0.55 8.46 7.92 2j9pA1 ARG 284 HA -0.29 0.33 1.02 -0.75 4.34 4.65 2j9pA1 ARG 284 HB2 -0.19 -0.05 0.08 -0.04 1.90 1.70 2j9pA1 ARG 284 HB3 -0.20 0.16 -0.00 -0.04 1.80 1.72 2j9pA1 ARG 284 HG2 -0.21 0.08 -0.07 -0.04 1.67 1.42 2j9pA1 ARG 284 HG3 -0.17 -0.11 -0.20 -0.04 1.67 1.16 2j9pA1 ARG 284 HD2 -0.12 -0.03 -0.05 -0.04 3.22 2.98 2j9pA1 ARG 284 HD3 -0.14 0.03 -0.03 -0.04 3.22 3.04 2j9pA1 SER 285 H -0.19 0.37 0.21 -0.55 8.46 8.30 2j9pA1 SER 285 HA -0.22 0.10 0.66 -0.75 4.49 4.26 2j9pA1 SER 285 HB2 -0.10 -0.06 0.13 -0.04 3.95 3.88 2j9pA1 SER 285 HB3 -0.08 -0.07 0.02 -0.04 3.93 3.77 2j9pA1 MET 286 H -0.09 0.02 0.11 -0.55 8.47 7.96 2j9pA1 MET 286 HA -0.05 0.10 0.40 -0.75 4.52 4.22 2j9pA1 MET 286 HB2 -0.00 0.04 0.11 -0.04 2.15 2.25 2j9pA1 MET 286 HB3 -0.02 -0.01 0.11 -0.04 2.03 2.07 2j9pA1 MET 286 HG2 -0.10 -0.11 0.09 -0.04 2.63 2.47 2j9pA1 MET 286 HG3 -0.01 0.05 -0.13 -0.04 2.56 2.44 2j9pA1 MET 286 HE3 0.03 0.00 -0.02 -0.04 2.10 2.08 2j9pA1 PRO 287 HA -0.05 0.31 0.22 -0.51 4.44 4.41 2j9pA1 PRO 287 HB2 -0.04 0.11 0.15 -0.04 2.28 2.46 2j9pA1 PRO 287 HB3 -0.04 0.09 0.11 -0.04 2.02 2.14 2j9pA1 PRO 287 HG2 -0.01 -0.16 0.04 -0.04 2.03 1.86 2j9pA1 PRO 287 HG3 -0.02 0.07 0.06 -0.04 2.03 2.10 2j9pA1 PRO 287 HD2 -0.02 0.02 0.23 -0.04 3.68 3.87 2j9pA1 PRO 287 HD3 -0.04 0.19 0.15 -0.04 3.65 3.92 2j9pA1 LEU 288 H -0.04 0.35 0.08 -0.55 8.37 8.21 2j9pA1 LEU 288 HA 0.05 -0.00 0.34 -0.75 4.35 3.98 2j9pA1 LEU 288 HB2 -0.21 -0.00 0.14 -0.04 1.64 1.53 2j9pA1 LEU 288 HB3 -0.40 -0.05 -0.09 -0.04 1.64 1.06 2j9pA1 LEU 288 HG -0.01 0.18 -0.01 -0.04 1.64 1.76 2j9pA1 LEU 288 HD13 -0.15 0.02 -0.16 -0.04 0.93 0.60 2j9pA1 LEU 288 HD23 0.16 -0.03 -0.11 -0.04 0.89 0.87 2j9pA1 SER 289 H -0.12 0.45 -0.06 -0.55 8.46 8.18 2j9pA1 SER 289 HA -0.18 0.04 0.27 -0.75 4.49 3.86 2j9pA1 SER 289 HB2 -0.03 0.01 0.03 -0.04 3.95 3.93 2j9pA1 SER 289 HB3 -0.06 -0.03 0.09 -0.04 3.93 3.88 2j9pA1 LYS 290 H 0.00 0.29 -0.63 -0.55 8.42 7.52 2j9pA1 LYS 290 HA 0.06 0.14 0.68 -0.75 4.32 4.45 2j9pA1 LYS 290 HB2 0.03 0.15 0.10 -0.04 1.87 2.11 2j9pA1 LYS 290 HB3 0.05 -0.03 -0.01 -0.04 1.79 1.76 2j9pA1 LYS 290 HG2 0.03 0.03 -0.01 -0.04 1.46 1.46 2j9pA1 LYS 290 HG3 0.01 -0.03 -0.03 -0.04 1.46 1.36 2j9pA1 LYS 290 HD2 0.01 -0.04 0.06 -0.04 1.69 1.68 2j9pA1 LYS 290 HD3 0.03 -0.01 0.01 -0.04 1.68 1.67 2j9pA1 LYS 290 HE2 0.01 0.00 0.00 -0.04 2.99 2.96 2j9pA1 LYS 290 HE3 -0.00 0.00 0.01 -0.04 2.99 2.96 2j9pA1 LEU 291 H 0.07 0.55 0.03 -0.55 8.37 8.48 2j9pA1 LEU 291 HA 0.12 -0.02 0.28 -0.75 4.35 3.97 2j9pA1 LEU 291 HB2 0.04 0.03 0.00 -0.04 1.64 1.68 2j9pA1 LEU 291 HB3 0.16 0.06 0.01 -0.04 1.64 1.84 2j9pA1 LEU 291 HG -0.06 -0.03 -0.04 -0.04 1.64 1.47 2j9pA1 LEU 291 HD13 -0.01 -0.01 -0.16 -0.04 0.93 0.71 2j9pA1 LEU 291 HD23 -0.23 -0.02 0.03 -0.04 0.89 0.63 2j9pA1 PHE 292 H 0.30 0.39 -0.85 -0.55 8.34 7.63 2j9pA1 PHE 292 HA 0.32 -0.05 0.44 -0.75 4.62 4.58 2j9pA1 PHE 292 HB2 0.04 0.14 -0.08 -0.04 3.15 3.21 2j9pA1 PHE 292 HB3 -0.01 0.03 -0.14 -0.04 3.06 2.90 2j9pA1 PHE 292 HD2 0.02 0.04 -0.18 -0.04 7.28 7.12 2j9pA1 PHE 292 HE2 -0.01 -0.02 -0.15 -0.04 7.38 7.15 2j9pA1 PHE 292 HZ 0.01 0.10 0.01 -0.04 7.32 7.39 2j9pA1 VAL 293 H 0.19 0.71 -0.06 -0.55 8.24 8.54 2j9pA1 VAL 293 HA 0.06 0.12 0.46 -0.75 4.13 4.02 2j9pA1 VAL 293 HB 0.10 0.01 0.15 -0.04 2.12 2.35 2j9pA1 VAL 293 HG13 0.03 -0.01 -0.07 -0.04 0.97 0.88 2j9pA1 VAL 293 HG23 0.07 0.03 0.08 -0.04 0.95 1.09 2j9pA1 PRO 294 HA 0.06 0.01 0.40 -0.51 4.44 4.41 2j9pA1 PRO 294 HB2 0.38 0.05 -0.03 -0.04 2.28 2.63 2j9pA1 PRO 294 HB3 0.21 0.06 0.04 -0.04 2.02 2.29 2j9pA1 PRO 294 HG2 0.37 -0.01 -0.02 -0.04 2.03 2.33 2j9pA1 PRO 294 HG3 0.19 0.02 0.04 -0.04 2.03 2.25 2j9pA1 PRO 294 HD2 0.24 0.19 -0.21 -0.04 3.68 3.86 2j9pA1 PRO 294 HD3 0.16 0.17 0.13 -0.04 3.65 4.07 2j9pA1 PHE 295 H 0.35 0.37 -0.36 -0.55 8.34 8.14 2j9pA1 PHE 295 HA -0.05 -0.10 0.43 -0.75 4.62 4.15 2j9pA1 PHE 295 HB2 0.33 0.07 0.12 -0.04 3.15 3.63 2j9pA1 PHE 295 HB3 -0.03 0.06 0.23 -0.04 3.06 3.28 2j9pA1 PHE 295 HD2 -0.53 -0.03 0.01 -0.04 7.28 6.69 2j9pA1 PHE 295 HE2 -0.34 -0.02 -0.11 -0.04 7.38 6.88 2j9pA1 PHE 295 HZ -0.13 -0.05 -0.06 -0.04 7.32 7.03 2j9pA1 MET 296 H -0.20 0.94 0.10 -0.55 8.47 8.77 2j9pA1 MET 296 HA -0.64 -0.06 0.54 -0.75 4.52 3.61 2j9pA1 MET 296 HB2 -0.28 0.21 0.11 -0.04 2.15 2.16 2j9pA1 MET 296 HB3 -0.37 0.04 -0.10 -0.04 2.03 1.56 2j9pA1 MET 296 HG2 -1.12 -0.07 0.01 -0.04 2.63 1.42 2j9pA1 MET 296 HG3 -0.70 0.01 -0.08 -0.04 2.56 1.75 2j9pA1 MET 296 HE3 -0.43 0.00 -0.15 -0.04 2.10 1.48 2j9pA1 LYS 297 H -0.09 0.63 -0.02 -0.55 8.42 8.39 2j9pA1 LYS 297 HA -0.09 0.12 0.59 -0.75 4.32 4.19 2j9pA1 LYS 297 HB2 -0.03 0.49 0.19 -0.04 1.87 2.48 2j9pA1 LYS 297 HB3 -0.04 -0.07 -0.02 -0.04 1.79 1.62 2j9pA1 LYS 297 HG2 -0.02 -0.22 -0.38 -0.04 1.46 0.80 2j9pA1 LYS 297 HG3 -0.04 -0.11 -0.24 -0.04 1.46 1.04 2j9pA1 LYS 297 HD2 -0.05 0.45 -0.25 -0.04 1.69 1.80 2j9pA1 LYS 297 HD3 -0.01 -0.10 -0.00 -0.04 1.68 1.52 2j9pA1 LYS 297 HE2 -0.01 0.23 -0.02 -0.04 2.99 3.15 2j9pA1 LYS 297 HE3 -0.01 -0.05 -0.24 -0.04 2.99 2.66 2j9pA1 LEU 298 H -0.07 0.40 -0.05 -0.55 8.37 8.11 2j9pA1 LEU 298 HA -0.08 0.08 0.80 -0.75 4.35 4.40 2j9pA1 LEU 298 HB2 -0.07 0.24 0.11 -0.04 1.64 1.88 2j9pA1 LEU 298 HB3 -0.11 -0.11 0.09 -0.04 1.64 1.47 2j9pA1 LEU 298 HG -0.06 0.05 0.01 -0.04 1.64 1.61 2j9pA1 LEU 298 HD13 -0.14 -0.02 0.00 -0.04 0.93 0.73 2j9pA1 LEU 298 HD23 -0.09 -0.02 -0.12 -0.04 0.89 0.62 2j9pA1 SER 299 H -0.13 0.26 -0.22 -0.55 8.46 7.82 2j9pA1 SER 299 HA -0.17 0.07 0.35 -0.75 4.49 3.99 2j9pA1 SER 299 HB2 -0.10 0.01 -0.26 -0.04 3.95 3.55 2j9pA1 SER 299 HB3 -0.06 0.21 0.40 -0.04 3.93 4.43 2j9pA1 ASN 300 H 0.05 0.55 0.22 -0.55 8.53 8.79 2j9pA1 ASN 300 HA -0.00 0.05 0.48 -0.75 4.76 4.54 2j9pA1 ASN 300 HB2 -0.25 0.21 0.03 -0.04 2.88 2.83 2j9pA1 ASN 300 HB3 -0.25 -0.08 0.20 -0.04 2.79 2.61 2j9pA1 ASN 300 HD21 -0.17 0.12 -0.05 -0.04 7.03 6.89 2j9pA1 ASN 300 HD22 -0.32 0.19 -0.13 -0.04 7.74 7.43 2j9pA1 ASN 301 H 0.06 0.29 0.30 -0.55 8.53 8.64 2j9pA1 ASN 301 HA 0.11 -0.01 0.39 -0.75 4.76 4.51 2j9pA1 ASN 301 HB2 0.08 0.11 0.23 -0.04 2.88 3.26 2j9pA1 ASN 301 HB3 0.08 -0.12 0.05 -0.04 2.79 2.76 2j9pA1 ASN 301 HD21 -0.03 -0.04 0.09 -0.04 7.03 7.00 2j9pA1 ASN 301 HD22 0.12 0.49 0.20 -0.04 7.74 8.51 2j9pA1 GLY 302 H 0.08 0.20 -0.08 -0.55 8.43 8.08 2j9pA1 GLY 302 HA2 0.12 0.04 0.27 -0.51 4.01 3.93 2j9pA1 GLY 302 HA3 0.12 0.17 0.23 -0.51 4.01 4.02 2j9pA1 HIS 303 H 0.07 0.17 -0.37 -0.55 8.41 7.74 2j9pA1 HIS 303 HA -0.24 0.04 0.34 -0.75 4.63 4.02 2j9pA1 HIS 303 HB2 -0.32 0.20 0.12 -0.04 3.26 3.22 2j9pA1 HIS 303 HB3 -0.94 -0.00 -0.07 -0.04 3.20 2.14 2j9pA1 HIS 303 HD2 -0.06 -0.16 -0.07 -0.04 6.97 6.64 2j9pA1 HIS 303 HE1 0.18 0.02 -0.07 -0.04 7.75 7.83 2j9pA1 ALA 304 H -0.03 0.46 -0.14 -0.55 8.40 8.14 2j9pA1 ALA 304 HA -0.18 0.05 0.28 -0.75 4.34 3.74 2j9pA1 ALA 304 HB3 0.22 0.04 -0.14 -0.04 1.41 1.49 2j9pA1 GLU 305 H 0.10 0.53 -0.14 -0.55 8.60 8.54 2j9pA1 GLU 305 HA 0.16 -0.15 0.34 -0.75 4.29 3.89 2j9pA1 GLU 305 HB2 0.18 0.25 0.05 -0.04 2.09 2.53 2j9pA1 GLU 305 HB3 0.43 -0.04 -0.03 -0.04 1.99 2.30 2j9pA1 GLU 305 HG2 0.23 0.25 -0.03 -0.04 2.34 2.75 2j9pA1 GLU 305 HG3 0.48 0.03 -0.03 -0.04 2.34 2.78 2j9pA1 VAL 306 H -0.06 0.69 -0.18 -0.55 8.24 8.13 2j9pA1 VAL 306 HA -0.18 -0.03 0.32 -0.75 4.13 3.49 2j9pA1 VAL 306 HB -0.19 0.13 0.12 -0.04 2.12 2.14 2j9pA1 VAL 306 HG13 -0.15 -0.00 -0.12 -0.04 0.97 0.65 2j9pA1 VAL 306 HG23 -0.07 0.09 -0.03 -0.04 0.95 0.89 2j9pA1 LEU 307 H -0.12 0.70 -0.14 -0.55 8.37 8.26 2j9pA1 LEU 307 HA 0.05 0.01 0.41 -0.75 4.35 4.07 2j9pA1 LEU 307 HB2 -0.08 0.17 0.09 -0.04 1.64 1.78 2j9pA1 LEU 307 HB3 -0.01 -0.06 -0.03 -0.04 1.64 1.50 2j9pA1 LEU 307 HG -0.15 0.11 -0.06 -0.04 1.64 1.51 2j9pA1 LEU 307 HD13 0.02 -0.01 -0.15 -0.04 0.93 0.75 2j9pA1 LEU 307 HD23 0.21 -0.01 -0.09 -0.04 0.89 0.95 2j9pA1 VAL 308 H -0.10 0.40 -0.25 -0.55 8.24 7.74 2j9pA1 VAL 308 HA -0.05 0.09 0.39 -0.75 4.13 3.80 2j9pA1 VAL 308 HB -0.19 0.13 0.12 -0.04 2.12 2.15 2j9pA1 VAL 308 HG13 0.00 -0.01 -0.33 -0.04 0.97 0.60 2j9pA1 VAL 308 HG23 0.09 0.02 -0.12 -0.04 0.95 0.90 2j9pA1 LYS 309 H -0.43 0.58 -0.12 -0.55 8.42 7.89 2j9pA1 LYS 309 HA -0.40 -0.05 0.20 -0.75 4.32 3.32 2j9pA1 LYS 309 HB2 -0.71 0.18 0.01 -0.04 1.87 1.31 2j9pA1 LYS 309 HB3 -0.98 -0.04 -0.13 -0.04 1.79 0.60 2j9pA1 LYS 309 HG2 -0.74 -0.24 -0.43 -0.04 1.46 0.01 2j9pA1 LYS 309 HG3 -1.15 0.07 -0.12 -0.04 1.46 0.22 2j9pA1 LYS 309 HD2 -0.70 0.04 -0.18 -0.04 1.69 0.80 2j9pA1 LYS 309 HD3 -0.52 0.05 -0.09 -0.04 1.68 1.07 2j9pA1 LYS 309 HE2 -0.54 -0.21 0.02 -0.04 2.99 2.22 2j9pA1 LYS 309 HE3 -2.23 -0.08 -0.11 -0.04 2.99 0.53 2j9pA1 GLU 310 H -0.15 0.43 -0.40 -0.55 8.60 7.93 2j9pA1 GLU 310 HA 0.11 0.04 0.41 -0.75 4.29 4.10 2j9pA1 GLU 310 HB2 0.31 0.09 0.04 -0.04 2.09 2.48 2j9pA1 GLU 310 HB3 -0.02 0.04 0.08 -0.04 1.99 2.05 2j9pA1 GLU 310 HG2 -0.29 0.00 -0.09 -0.04 2.34 1.92 2j9pA1 GLU 310 HG3 -0.11 -0.03 -0.15 -0.04 2.34 2.01 2j9pA1 MET 311 H -0.11 0.59 -0.08 -0.55 8.47 8.33 2j9pA1 MET 311 HA -0.12 0.04 0.40 -0.75 4.52 4.09 2j9pA1 MET 311 HB2 -0.07 0.14 0.24 -0.04 2.15 2.42 2j9pA1 MET 311 HB3 -0.06 -0.04 -0.01 -0.04 2.03 1.87 2j9pA1 MET 311 HG2 -0.09 -0.06 0.04 -0.04 2.63 2.48 2j9pA1 MET 311 HG3 -0.09 0.11 0.12 -0.04 2.56 2.65 2j9pA1 MET 311 HE3 0.01 0.02 -0.28 -0.04 2.10 1.80 2j9pA1 GLY 312 H -0.12 0.47 -0.05 -0.55 8.43 8.18 2j9pA1 GLY 312 HA2 -0.08 0.01 0.23 -0.51 4.01 3.66 2j9pA1 GLY 312 HA3 -0.11 -0.03 0.17 -0.51 4.01 3.52 2j9pA1 LYS 313 H -0.15 0.38 -0.51 -0.55 8.42 7.59 2j9pA1 LYS 313 HA -0.22 -0.16 0.16 -0.75 4.32 3.35 2j9pA1 LYS 313 HB2 -0.27 -0.10 -0.09 -0.04 1.87 1.37 2j9pA1 LYS 313 HB3 -0.15 0.10 0.11 -0.04 1.79 1.81 2j9pA1 LYS 313 HG2 -1.52 0.01 -0.07 -0.04 1.46 -0.16 2j9pA1 LYS 313 HG3 -0.69 0.02 -0.36 -0.04 1.46 0.39 2j9pA1 LYS 313 HD2 -0.44 -0.13 -0.21 -0.04 1.69 0.87 2j9pA1 LYS 313 HD3 -0.53 -0.03 -0.06 -0.04 1.68 1.02 2j9pA1 LYS 313 HE2 -1.73 0.02 0.02 -0.04 2.99 1.26 2j9pA1 LYS 313 HE3 -1.18 -0.03 -0.06 -0.04 2.99 1.68 2j9pA1 VAL 314 H -0.08 0.72 0.03 -0.55 8.24 8.36 2j9pA1 VAL 314 HA -0.03 0.06 0.50 -0.75 4.13 3.91 2j9pA1 VAL 314 HB -0.06 0.02 0.10 -0.04 2.12 2.14 2j9pA1 VAL 314 HG13 0.06 -0.01 -0.07 -0.04 0.97 0.91 2j9pA1 VAL 314 HG23 0.11 0.03 0.02 -0.04 0.95 1.08 2j9pA1 LYS 315 H -0.07 0.67 0.02 -0.55 8.42 8.49 2j9pA1 LYS 315 HA -0.03 0.18 0.81 -0.75 4.32 4.53 2j9pA1 LYS 315 HB2 -0.05 0.06 0.06 -0.04 1.87 1.91 2j9pA1 LYS 315 HB3 -0.03 -0.04 -0.03 -0.04 1.79 1.64 2j9pA1 LYS 315 HG2 -0.04 -0.01 -0.08 -0.04 1.46 1.28 2j9pA1 LYS 315 HG3 -0.03 -0.03 -0.01 -0.04 1.46 1.34 2j9pA1 LYS 315 HD2 -0.02 -0.04 0.02 -0.04 1.69 1.61 2j9pA1 LYS 315 HD3 -0.02 0.06 0.02 -0.04 1.68 1.71 2j9pA1 LYS 315 HE2 -0.01 0.06 -0.03 -0.04 2.99 2.96 2j9pA1 LYS 315 HE3 -0.01 -0.01 0.00 -0.04 2.99 2.93 2j9pA1 LYS 316 H -0.07 0.30 -0.08 -0.55 8.42 8.01 2j9pA1 LYS 316 HA -0.04 0.23 0.99 -0.75 4.32 4.75 2j9pA1 LYS 316 HB2 -0.06 0.11 0.17 -0.04 1.87 2.04 2j9pA1 LYS 316 HB3 -0.04 -0.08 0.18 -0.04 1.79 1.81 2j9pA1 LYS 316 HG2 -0.03 0.07 -0.10 -0.04 1.46 1.36 2j9pA1 LYS 316 HG3 -0.04 -0.05 -0.13 -0.04 1.46 1.20 2j9pA1 LYS 316 HD2 -0.03 0.05 0.10 -0.04 1.69 1.77 2j9pA1 LYS 316 HD3 -0.02 -0.03 0.04 -0.04 1.68 1.63 2j9pA1 LYS 316 HE2 -0.02 -0.02 -0.09 -0.04 2.99 2.82 2j9pA1 LYS 316 HE3 -0.01 -0.07 -0.01 -0.04 2.99 2.86 2j9pA1 GLY 317 H -0.10 0.23 -0.33 -0.55 8.43 7.68 2j9pA1 GLY 317 HA2 -0.16 0.18 0.36 -0.51 4.01 3.88 2j9pA1 GLY 317 HA3 -0.10 -0.00 0.39 -0.51 4.01 3.79 2j9pA1 GLU 318 H -0.13 0.46 -0.28 -0.55 8.60 8.11 2j9pA1 GLU 318 HA -0.15 0.18 0.75 -0.75 4.29 4.32 2j9pA1 GLU 318 HB2 -0.07 0.15 -0.15 -0.04 2.09 1.98 2j9pA1 GLU 318 HB3 -0.07 -0.06 -0.02 -0.04 1.99 1.80 2j9pA1 GLU 318 HG2 -0.07 -0.20 -0.36 -0.04 2.34 1.68 2j9pA1 GLU 318 HG3 -0.06 0.07 -0.05 -0.04 2.34 2.26 2j9pA1 GLY 319 H -0.16 0.31 0.05 -0.55 8.43 8.09 2j9pA1 GLY 319 HA2 -0.25 0.35 0.68 -0.51 4.01 4.27 2j9pA1 GLY 319 HA3 -0.13 0.09 0.51 -0.51 4.01 3.96 2j9pA1 SER 320 H -0.15 0.47 -0.10 -0.55 8.46 8.13 2j9pA1 SER 320 HA -0.15 0.24 0.95 -0.75 4.49 4.78 2j9pA1 SER 320 HB2 0.05 -0.06 0.11 -0.04 3.95 4.01 2j9pA1 SER 320 HB3 -0.03 0.10 -0.13 -0.04 3.93 3.84 2j9pA1 TRP 321 H 0.20 0.23 0.14 -0.55 7.97 7.99 2j9pA1 TRP 321 HA -0.04 0.08 0.36 -0.75 4.62 4.27 2j9pA1 TRP 321 HB2 -0.01 -0.01 0.18 -0.04 3.23 3.34 2j9pA1 TRP 321 HB3 -0.01 0.11 -0.03 -0.04 3.23 3.26 2j9pA1 TRP 321 HD1 -0.01 -0.02 -0.03 -0.04 7.22 7.12 2j9pA1 TRP 321 HE1 -0.01 -0.19 0.06 -0.04 10.20 10.02 2j9pA1 TRP 321 HE3 -0.01 -0.08 0.03 -0.04 7.59 7.49 2j9pA1 TRP 321 HZ2 -0.00 -0.05 -0.12 -0.04 7.44 7.23 2j9pA1 TRP 321 HZ3 -0.00 -0.00 -0.32 -0.04 7.13 6.76 2j9pA1 TRP 321 HH2 -0.00 0.05 -0.49 -0.04 7.19 6.71 2j9pA1 GLU 322 H 0.19 0.08 -0.06 -0.55 8.60 8.26 2j9pA1 GLU 322 HA 0.09 0.13 0.34 -0.75 4.29 4.10 2j9pA1 GLU 322 HB2 0.04 0.10 -0.07 -0.04 2.09 2.12 2j9pA1 GLU 322 HB3 0.06 0.07 0.08 -0.04 1.99 2.16 2j9pA1 GLU 322 HG2 0.06 -0.17 0.00 -0.04 2.34 2.19 2j9pA1 GLU 322 HG3 0.05 0.11 0.02 -0.04 2.34 2.48 2j9pA1 LYS 323 H 0.01 -0.01 -0.37 -0.55 8.42 7.50 2j9pA1 LYS 323 HA -0.00 0.15 0.60 -0.75 4.32 4.32 2j9pA1 LYS 323 HB2 -0.06 -0.05 0.11 -0.04 1.87 1.83 2j9pA1 LYS 323 HB3 -0.05 0.11 0.04 -0.04 1.79 1.85 2j9pA1 LYS 323 HG2 -0.01 -0.14 -0.05 -0.04 1.46 1.21 2j9pA1 LYS 323 HG3 -0.04 0.07 -0.03 -0.04 1.46 1.42 2j9pA1 LYS 323 HD2 -0.03 0.11 0.03 -0.04 1.69 1.76 2j9pA1 LYS 323 HD3 -0.01 -0.03 -0.00 -0.04 1.68 1.59 2j9pA1 LYS 323 HE2 -0.01 -0.08 -0.05 -0.04 2.99 2.81 2j9pA1 LYS 323 HE3 -0.02 0.07 -0.02 -0.04 2.99 2.98 2j9pA1 GLY 324 H -0.06 0.77 0.08 -0.55 8.43 8.68 2j9pA1 GLY 324 HA2 -0.06 -0.01 0.52 -0.51 4.01 3.95 2j9pA1 GLY 324 HA3 -0.10 0.24 0.25 -0.51 4.01 3.89 2j9pA1 LEU 325 H 0.05 0.59 -0.33 -0.55 8.37 8.13 2j9pA1 LEU 325 HA 0.07 0.01 0.44 -0.75 4.35 4.12 2j9pA1 LEU 325 HB2 0.13 0.68 0.12 -0.04 1.64 2.53 2j9pA1 LEU 325 HB3 0.07 0.03 -0.10 -0.04 1.64 1.60 2j9pA1 LEU 325 HG 0.09 0.04 -0.15 -0.04 1.64 1.58 2j9pA1 LEU 325 HD13 0.16 -0.04 -0.23 -0.04 0.93 0.78 2j9pA1 LEU 325 HD23 0.17 -0.06 -0.31 -0.04 0.89 0.65 2j9pA1 GLU 326 H 0.02 0.26 -0.44 -0.55 8.60 7.89 2j9pA1 GLU 326 HA 0.02 0.06 0.48 -0.75 4.29 4.09 2j9pA1 GLU 326 HB2 0.00 0.16 0.20 -0.04 2.09 2.41 2j9pA1 GLU 326 HB3 0.01 -0.02 0.03 -0.04 1.99 1.96 2j9pA1 GLU 326 HG2 0.02 -0.07 0.06 -0.04 2.34 2.31 2j9pA1 GLU 326 HG3 0.02 0.55 0.32 -0.04 2.34 3.18 2j9pA1 VAL 327 H -0.00 0.42 -0.07 -0.55 8.24 8.03 2j9pA1 VAL 327 HA -0.00 0.08 0.35 -0.75 4.13 3.80 2j9pA1 VAL 327 HB -0.02 0.03 0.01 -0.04 2.12 2.10 2j9pA1 VAL 327 HG13 -0.03 -0.01 0.01 -0.04 0.97 0.89 2j9pA1 VAL 327 HG23 -0.02 0.02 -0.21 -0.04 0.95 0.70 2j9pA1 LEU 328 H 0.02 0.13 -0.84 -0.55 8.37 7.14 2j9pA1 LEU 328 HA 0.05 0.05 0.44 -0.75 4.35 4.14 2j9pA1 LEU 328 HB2 0.05 0.12 0.11 -0.04 1.64 1.88 2j9pA1 LEU 328 HB3 0.06 0.15 0.17 -0.04 1.64 1.97 2j9pA1 LEU 328 HG 0.08 -0.01 -0.20 -0.04 1.64 1.46 2j9pA1 LEU 328 HD13 0.09 -0.01 -0.10 -0.04 0.93 0.87 2j9pA1 LEU 328 HD23 0.08 -0.03 -0.09 -0.04 0.89 0.82 2j9pA1 ASN 329 H 0.04 0.56 -0.00 -0.55 8.53 8.59 2j9pA1 ASN 329 HA 0.06 -0.05 0.31 -0.75 4.76 4.32 2j9pA1 ASN 329 HB2 0.03 0.12 0.11 -0.04 2.88 3.10 2j9pA1 ASN 329 HB3 0.03 -0.08 0.04 -0.04 2.79 2.74 2j9pA1 ASN 329 HD21 0.04 -0.11 0.05 -0.04 7.03 6.97 2j9pA1 ASN 329 HD22 0.04 0.18 0.11 -0.04 7.74 8.03 2j9pA1 SER 330 H 0.02 0.35 -0.63 -0.55 8.46 7.65 2j9pA1 SER 330 HA 0.01 -0.01 0.39 -0.75 4.49 4.13 2j9pA1 SER 330 HB2 0.00 0.11 0.06 -0.04 3.95 4.09 2j9pA1 SER 330 HB3 -0.01 -0.03 -0.01 -0.04 3.93 3.84 2j9pA1 THR 331 H 0.03 0.51 -0.25 -0.55 8.28 8.02 2j9pA1 THR 331 HA -0.08 0.18 0.90 -0.75 4.39 4.64 2j9pA1 THR 331 HB -0.08 -0.05 0.09 -0.04 4.32 4.24 2j9pA1 THR 331 HG23 0.01 0.08 0.00 -0.04 1.22 1.27 2j9pA1 LEU 332 H 0.06 0.27 -0.16 -0.55 8.37 8.00 2j9pA1 LEU 332 HA 0.29 0.04 0.32 -0.75 4.35 4.24 2j9pA1 LEU 332 HB2 0.08 0.14 0.04 -0.04 1.64 1.85 2j9pA1 LEU 332 HB3 0.13 -0.13 -0.07 -0.04 1.64 1.52 2j9pA1 LEU 332 HG 0.11 0.21 -0.04 -0.04 1.64 1.89 2j9pA1 LEU 332 HD13 0.09 -0.03 -0.11 -0.04 0.93 0.84 2j9pA1 LEU 332 HD23 0.24 -0.02 -0.09 -0.04 0.89 0.98 2j9pA1 PRO 333 HA 0.02 0.23 0.60 -0.51 4.44 4.79 2j9pA1 PRO 333 HB2 -0.03 0.09 -0.03 -0.04 2.28 2.27 2j9pA1 PRO 333 HB3 -0.00 -0.02 0.09 -0.04 2.02 2.05 2j9pA1 PRO 333 HG2 0.00 0.07 0.03 -0.04 2.03 2.10 2j9pA1 PRO 333 HG3 0.02 -0.11 0.06 -0.04 2.03 1.95 2j9pA1 PRO 333 HD2 -0.02 0.27 -0.52 -0.04 3.68 3.38 2j9pA1 PRO 333 HD3 0.03 0.25 0.03 -0.04 3.65 3.92 2j9pA1 GLU 334 H -0.18 0.46 -0.33 -0.55 8.60 8.01 2j9pA1 GLU 334 HA -0.11 0.08 0.50 -0.75 4.29 4.00 2j9pA1 GLU 334 HB2 -0.53 0.23 0.10 -0.04 2.09 1.85 2j9pA1 GLU 334 HB3 -0.30 -0.04 0.12 -0.04 1.99 1.74 2j9pA1 GLU 334 HG2 -0.10 -0.04 0.02 -0.04 2.34 2.18 2j9pA1 GLU 334 HG3 -0.13 0.01 0.04 -0.04 2.34 2.22 2j9pA1 PHE 335 H -0.00 0.21 -0.58 -0.55 8.34 7.42 2j9pA1 PHE 335 HA 0.02 0.20 0.74 -0.75 4.62 4.83 2j9pA1 PHE 335 HB2 0.06 0.01 -0.00 -0.04 3.15 3.19 2j9pA1 PHE 335 HB3 0.05 -0.01 0.09 -0.04 3.06 3.15 2j9pA1 PHE 335 HD2 0.06 -0.00 -0.12 -0.04 7.28 7.18 2j9pA1 PHE 335 HE2 0.17 -0.05 -0.21 -0.04 7.38 7.25 2j9pA1 PHE 335 HZ 0.54 0.04 -0.16 -0.04 7.32 7.70 2j9pA1 GLY 336 H 0.07 0.26 -0.26 -0.55 8.43 7.95 2j9pA1 GLY 336 HA2 0.06 0.05 0.27 -0.51 4.01 3.88 2j9pA1 GLY 336 HA3 0.10 0.11 0.52 -0.51 4.01 4.23 2j9pA1 VAL 337 H 0.13 0.44 0.04 -0.55 8.24 8.29 2j9pA1 VAL 337 HA 0.08 0.12 0.68 -0.75 4.13 4.26 2j9pA1 VAL 337 HB 0.14 0.05 -0.05 -0.04 2.12 2.21 2j9pA1 VAL 337 HG13 0.08 -0.05 -0.26 -0.04 0.97 0.69 2j9pA1 VAL 337 HG23 0.15 0.03 -0.16 -0.04 0.95 0.93 2j9pA1 ASP 338 H 0.05 0.17 0.01 -0.55 8.40 8.08 2j9pA1 ASP 338 HA 0.03 0.20 0.72 -0.75 4.63 4.82 2j9pA1 ASP 338 HB2 0.03 0.12 0.06 -0.04 2.71 2.87 2j9pA1 ASP 338 HB3 0.03 -0.06 0.22 -0.04 2.70 2.84 2j9pA1 SER 339 H 0.04 0.37 -0.10 -0.55 8.46 8.23 2j9pA1 SER 339 HA 0.05 0.03 0.24 -0.75 4.49 4.05 2j9pA1 SER 339 HB2 0.04 -0.04 0.10 -0.04 3.95 4.02 2j9pA1 SER 339 HB3 0.04 0.11 0.09 -0.04 3.93 4.14 2j9pA1 LYS 340 H 0.02 -0.01 -0.54 -0.55 8.42 7.34 2j9pA1 LYS 340 HA 0.02 0.13 0.43 -0.75 4.32 4.14 2j9pA1 LYS 340 HB2 0.02 -0.05 0.02 -0.04 1.87 1.81 2j9pA1 LYS 340 HB3 0.01 0.03 -0.04 -0.04 1.79 1.76 2j9pA1 LYS 340 HG2 0.02 -0.03 -0.01 -0.04 1.46 1.40 2j9pA1 LYS 340 HG3 0.01 0.02 -0.00 -0.04 1.46 1.44 2j9pA1 LYS 340 HD2 0.01 0.01 0.02 -0.04 1.69 1.70 2j9pA1 LYS 340 HD3 0.02 0.03 -0.04 -0.04 1.68 1.64 2j9pA1 LYS 340 HE2 0.01 0.01 -0.03 -0.04 2.99 2.94 2j9pA1 LYS 340 HE3 0.01 0.00 -0.04 -0.04 2.99 2.92 2j9pA1 SER 341 H 0.02 0.31 -0.19 -0.55 8.46 8.06 2j9pA1 SER 341 HA 0.02 0.12 0.54 -0.75 4.49 4.41 2j9pA1 SER 341 HB2 0.02 0.04 0.10 -0.04 3.95 4.07 2j9pA1 SER 341 HB3 0.02 -0.04 0.19 -0.04 3.93 4.06 2j9pA1 LEU 342 H 0.02 0.42 -0.56 -0.55 8.37 7.71 2j9pA1 LEU 342 HA 0.02 0.11 0.72 -0.75 4.35 4.44 2j9pA1 LEU 342 HB2 0.03 0.16 0.16 -0.04 1.64 1.95 2j9pA1 LEU 342 HB3 0.03 -0.11 -0.06 -0.04 1.64 1.45 2j9pA1 LEU 342 HG 0.03 0.05 -0.12 -0.04 1.64 1.57 2j9pA1 LEU 342 HD13 0.04 -0.01 -0.15 -0.04 0.93 0.76 2j9pA1 LEU 342 HD23 0.04 -0.05 -0.16 -0.04 0.89 0.68 2j9pA1 VAL 343 H 0.02 0.45 0.26 -0.55 8.24 8.42 2j9pA1 VAL 343 HA 0.02 0.22 1.01 -0.75 4.13 4.63 2j9pA1 VAL 343 HB 0.01 0.00 0.18 -0.04 2.12 2.27 2j9pA1 VAL 343 HG13 0.01 -0.02 -0.22 -0.04 0.97 0.70 2j9pA1 VAL 343 HG23 0.01 0.02 -0.17 -0.04 0.95 0.77 2j9pA1 LEU 344 H 0.03 0.30 0.10 -0.55 8.37 8.26 2j9pA1 LEU 344 HA 0.03 0.04 0.86 -0.75 4.35 4.53 2j9pA1 LEU 344 HB2 0.05 0.05 0.12 -0.04 1.64 1.81 2j9pA1 LEU 344 HB3 0.06 0.04 0.01 -0.04 1.64 1.71 2j9pA1 LEU 344 HG 0.04 0.05 -0.13 -0.04 1.64 1.57 2j9pA1 LEU 344 HD13 0.06 0.01 -0.07 -0.04 0.93 0.89 2j9pA1 LEU 344 HD23 0.04 0.02 -0.19 -0.04 0.89 0.72 2j9pA1 ARG 345 H 0.01 0.00 0.18 -0.55 8.46 8.09 2j9pA1 ARG 345 HA -0.01 0.29 0.88 -0.75 4.34 4.74 2j9pA1 ARG 345 HB2 -0.05 -0.14 -0.01 -0.04 1.90 1.66 2j9pA1 ARG 345 HB3 -0.07 0.00 0.02 -0.04 1.80 1.72 2j9pA1 ARG 345 HG2 -0.00 -0.01 -0.53 -0.04 1.67 1.09 2j9pA1 ARG 345 HG3 -0.01 -0.09 -0.25 -0.04 1.67 1.28 2j9pA1 ARG 345 HD2 -0.01 0.08 -0.12 -0.04 3.22 3.12 2j9pA1 ARG 345 HD3 -0.00 0.08 -0.24 -0.04 3.22 3.02 2j9pA1 ASP 346 H 0.01 0.10 0.19 -0.55 8.40 8.16 2j9pA1 ASP 346 HA 0.09 0.23 0.54 -0.75 4.63 4.74 2j9pA1 ASP 346 HB2 0.07 -0.12 0.21 -0.04 2.71 2.83 2j9pA1 ASP 346 HB3 -0.21 0.14 0.03 -0.04 2.70 2.62 2j9pA1 GLY 347 H 0.25 0.13 0.10 -0.55 8.43 8.36 2j9pA1 GLY 347 HA2 0.11 0.29 0.85 -0.51 4.01 4.74 2j9pA1 GLY 347 HA3 0.14 0.14 0.16 -0.51 4.01 3.94 2j9pA1 SER 348 H 0.11 -0.10 0.05 -0.55 8.46 7.97 2j9pA1 SER 348 HA 0.11 0.29 0.69 -0.75 4.49 4.83 2j9pA1 SER 348 HB2 0.06 0.13 0.09 -0.04 3.95 4.18 2j9pA1 SER 348 HB3 0.11 0.13 0.14 -0.04 3.93 4.28 2j9pA1 GLY 349 H 0.02 -0.09 -0.15 -0.55 8.43 7.66 2j9pA1 GLY 349 HA2 -0.02 0.03 0.16 -0.51 4.01 3.67 2j9pA1 GLY 349 HA3 -0.03 0.36 0.37 -0.51 4.01 4.20 2j9pA1 ILE 350 H -0.03 -0.06 -0.14 -0.55 8.25 7.47 2j9pA1 ILE 350 HA -0.12 0.19 0.39 -0.75 4.18 3.88 2j9pA1 ILE 350 HB -0.02 0.04 0.01 -0.04 1.89 1.87 2j9pA1 ILE 350 HG12 -0.04 -0.02 0.09 -0.04 1.49 1.49 2j9pA1 ILE 350 HG13 -0.07 0.05 0.09 -0.04 1.21 1.23 2j9pA1 ILE 350 HG23 -0.03 -0.03 -0.17 -0.04 0.93 0.66 2j9pA1 ILE 350 HD13 0.09 0.03 -0.00 -0.04 0.88 0.96 2j9pA1 SER 351 H -0.07 -0.11 -0.32 -0.55 8.46 7.42 2j9pA1 SER 351 HA -0.05 0.27 0.63 -0.75 4.49 4.59 2j9pA1 SER 351 HB2 -0.07 -0.02 -0.02 -0.04 3.95 3.79 2j9pA1 SER 351 HB3 -0.05 -0.08 0.08 -0.04 3.93 3.84 2j9pA1 HIS 352 H 0.08 0.26 0.20 -0.55 8.41 8.41 2j9pA1 HIS 352 HA -0.01 0.11 0.43 -0.75 4.63 4.40 2j9pA1 HIS 352 HB2 -0.01 -0.02 0.12 -0.04 3.26 3.32 2j9pA1 HIS 352 HB3 -0.01 0.05 0.10 -0.04 3.20 3.30 2j9pA1 HIS 352 HD2 -0.01 0.02 0.14 -0.04 6.97 7.07 2j9pA1 HIS 352 HE1 -0.02 0.23 0.08 -0.04 7.75 8.00 2j9pA1 ILE 353 H 0.03 -0.14 -0.49 -0.55 8.25 7.10 2j9pA1 ILE 353 HA 0.04 0.19 0.49 -0.75 4.18 4.14 2j9pA1 ILE 353 HB 0.00 -0.13 -0.05 -0.04 1.89 1.68 2j9pA1 ILE 353 HG12 0.03 0.09 -0.07 -0.04 1.49 1.49 2j9pA1 ILE 353 HG13 0.04 -0.11 -0.05 -0.04 1.21 1.05 2j9pA1 ILE 353 HG23 0.01 0.02 -0.14 -0.04 0.93 0.77 2j9pA1 ILE 353 HD13 0.01 0.01 -0.04 -0.04 0.88 0.81 2j9pA1 ASP 354 H -0.01 0.05 -0.28 -0.55 8.40 7.61 2j9pA1 ASP 354 HA 0.00 0.19 0.42 -0.75 4.63 4.49 2j9pA1 ASP 354 HB2 -0.03 0.17 0.11 -0.04 2.71 2.92 2j9pA1 ASP 354 HB3 -0.01 0.05 0.00 -0.04 2.70 2.70 2j9pA1 ALA 355 H 0.01 0.48 0.40 -0.55 8.40 8.74 2j9pA1 ALA 355 HA 0.01 0.36 0.76 -0.75 4.34 4.72 2j9pA1 ALA 355 HB3 0.02 -0.01 -0.10 -0.04 1.41 1.28 2j9pA1 VAL 356 H 0.01 0.70 0.38 -0.55 8.24 8.78 2j9pA1 VAL 356 HA 0.02 0.12 0.55 -0.75 4.13 4.06 2j9pA1 VAL 356 HB 0.01 0.02 -0.15 -0.04 2.12 1.96 2j9pA1 VAL 356 HG13 0.03 -0.01 0.02 -0.04 0.97 0.96 2j9pA1 VAL 356 HG23 0.02 0.04 -0.35 -0.04 0.95 0.61 2j9pA1 SER 357 H 0.02 0.11 0.12 -0.55 8.46 8.16 2j9pA1 SER 357 HA 0.02 0.39 0.81 -0.75 4.49 4.95 2j9pA1 SER 357 HB2 0.02 0.15 -0.22 -0.04 3.95 3.85 2j9pA1 SER 357 HB3 0.02 0.07 -0.46 -0.04 3.93 3.51 2j9pA1 SER 358 H 0.03 0.30 0.07 -0.55 8.46 8.31 2j9pA1 SER 358 HA 0.02 0.05 0.32 -0.75 4.49 4.11 2j9pA1 SER 358 HB2 0.05 0.08 0.08 -0.04 3.95 4.12 2j9pA1 SER 358 HB3 0.04 0.15 -0.19 -0.04 3.93 3.89 2j9pA1 ASP 359 H 0.02 0.41 -0.27 -0.55 8.40 8.02 2j9pA1 ASP 359 HA 0.02 0.08 0.41 -0.75 4.63 4.39 2j9pA1 ASP 359 HB2 0.01 0.06 0.04 -0.04 2.71 2.78 2j9pA1 ASP 359 HB3 0.01 0.03 -0.12 -0.04 2.70 2.58 2j9pA1 GLN 360 H 0.02 0.11 -0.19 -0.55 8.47 7.87 2j9pA1 GLN 360 HA 0.04 0.14 0.45 -0.75 4.36 4.24 2j9pA1 GLN 360 HB2 0.03 0.01 0.13 -0.04 2.15 2.28 2j9pA1 GLN 360 HB3 0.04 0.02 -0.04 -0.04 2.02 1.99 2j9pA1 GLN 360 HG2 0.03 -0.02 0.01 -0.04 2.40 2.38 2j9pA1 GLN 360 HG3 0.02 -0.04 0.02 -0.04 2.39 2.36 2j9pA1 GLN 360 HE21 0.03 0.16 -0.67 -0.04 6.97 6.45 2j9pA1 GLN 360 HE22 0.03 0.02 -0.08 -0.04 7.69 7.62 2j9pA1 LEU 361 H 0.02 0.44 -0.10 -0.55 8.37 8.18 2j9pA1 LEU 361 HA 0.01 0.04 0.28 -0.75 4.35 3.93 2j9pA1 LEU 361 HB2 -0.00 0.11 0.00 -0.04 1.64 1.71 2j9pA1 LEU 361 HB3 -0.03 0.04 -0.10 -0.04 1.64 1.51 2j9pA1 LEU 361 HG -0.05 0.06 -0.13 -0.04 1.64 1.48 2j9pA1 LEU 361 HD13 0.00 0.00 -0.13 -0.04 0.93 0.77 2j9pA1 LEU 361 HD23 -0.02 -0.01 -0.24 -0.04 0.89 0.58 2j9pA1 SER 362 H -0.00 0.50 -0.28 -0.55 8.46 8.14 2j9pA1 SER 362 HA -0.06 0.04 0.25 -0.75 4.49 3.97 2j9pA1 SER 362 HB2 0.02 -0.05 -0.20 -0.04 3.95 3.67 2j9pA1 SER 362 HB3 0.01 -0.02 -0.04 -0.04 3.93 3.84 2j9pA1 GLN 363 H 0.03 0.25 -0.66 -0.55 8.47 7.55 2j9pA1 GLN 363 HA 0.11 0.04 0.45 -0.75 4.36 4.20 2j9pA1 GLN 363 HB2 0.05 -0.01 0.11 -0.04 2.15 2.27 2j9pA1 GLN 363 HB3 0.06 0.16 0.20 -0.04 2.02 2.40 2j9pA1 GLN 363 HG2 0.08 0.19 -0.15 -0.04 2.40 2.48 2j9pA1 GLN 363 HG3 0.12 0.04 -0.47 -0.04 2.39 2.04 2j9pA1 GLN 363 HE21 0.22 -0.10 -0.01 -0.04 6.97 7.03 2j9pA1 GLN 363 HE22 0.17 0.74 0.14 -0.04 7.69 8.69 2j9pA1 LEU 364 H 0.05 0.46 -0.10 -0.55 8.37 8.23 2j9pA1 LEU 364 HA 0.04 0.06 0.31 -0.75 4.35 4.01 2j9pA1 LEU 364 HB2 0.05 -0.06 0.02 -0.04 1.64 1.60 2j9pA1 LEU 364 HB3 -0.00 0.16 0.10 -0.04 1.64 1.87 2j9pA1 LEU 364 HG -0.17 -0.01 -0.28 -0.04 1.64 1.15 2j9pA1 LEU 364 HD13 -0.15 -0.03 -0.03 -0.04 0.93 0.68 2j9pA1 LEU 364 HD23 0.02 0.03 -0.16 -0.04 0.89 0.73 2j9pA1 LEU 365 H -0.02 0.41 -0.26 -0.55 8.37 7.95 2j9pA1 LEU 365 HA 0.04 0.02 0.30 -0.75 4.35 3.96 2j9pA1 LEU 365 HB2 -0.16 0.02 0.04 -0.04 1.64 1.49 2j9pA1 LEU 365 HB3 -0.55 0.00 -0.05 -0.04 1.64 1.00 2j9pA1 LEU 365 HG -0.12 0.13 -0.05 -0.04 1.64 1.56 2j9pA1 LEU 365 HD13 -0.46 -0.02 -0.07 -0.04 0.93 0.33 2j9pA1 LEU 365 HD23 -0.03 -0.01 -0.08 -0.04 0.89 0.74 2j9pA1 TYR 366 H 0.13 0.43 -0.30 -0.55 8.29 8.00 2j9pA1 TYR 366 HA 0.04 0.01 0.44 -0.75 4.56 4.30 2j9pA1 TYR 366 HB2 0.01 -0.10 0.05 -0.04 3.06 2.98 2j9pA1 TYR 366 HB3 0.00 0.12 0.21 -0.04 2.98 3.27 2j9pA1 TYR 366 HD2 0.00 0.03 -0.04 -0.04 7.15 7.10 2j9pA1 TYR 366 HE2 -0.01 0.03 -0.36 -0.04 6.85 6.47 2j9pA1 ASP 367 H 0.04 0.71 -0.05 -0.55 8.40 8.56 2j9pA1 ASP 367 HA -0.50 0.03 0.46 -0.75 4.63 3.86 2j9pA1 ASP 367 HB2 0.13 0.06 0.11 -0.04 2.71 2.97 2j9pA1 ASP 367 HB3 0.08 0.00 0.17 -0.04 2.70 2.91 2j9pA1 ILE 368 H -0.17 0.69 -0.00 -0.55 8.25 8.22 2j9pA1 ILE 368 HA -0.21 -0.01 0.27 -0.75 4.18 3.46 2j9pA1 ILE 368 HB -0.23 -0.12 0.08 -0.04 1.89 1.57 2j9pA1 ILE 368 HG12 -0.08 0.29 0.09 -0.04 1.49 1.74 2j9pA1 ILE 368 HG13 0.03 0.03 -0.27 -0.04 1.21 0.96 2j9pA1 ILE 368 HG23 -0.68 0.04 0.04 -0.04 0.93 0.29 2j9pA1 ILE 368 HD13 -0.32 -0.04 -0.09 -0.04 0.88 0.38 2j9pA1 GLN 369 H -0.43 0.32 -0.97 -0.55 8.47 6.85 2j9pA1 GLN 369 HA -1.47 -0.01 0.35 -0.75 4.36 2.48 2j9pA1 GLN 369 HB2 -0.53 0.22 0.13 -0.04 2.15 1.93 2j9pA1 GLN 369 HB3 -0.56 -0.09 -0.04 -0.04 2.02 1.29 2j9pA1 GLN 369 HG2 -1.18 -0.12 0.03 -0.04 2.40 1.08 2j9pA1 GLN 369 HG3 -0.53 0.17 0.04 -0.04 2.39 2.03 2j9pA1 GLN 369 HE21 -0.01 0.20 0.22 -0.04 6.97 7.34 2j9pA1 GLN 369 HE22 -0.36 0.54 0.30 -0.04 7.69 8.13 2j9pA1 ASP 370 H -0.33 0.34 -0.03 -0.55 8.40 7.83 2j9pA1 ASP 370 HA -0.22 0.13 0.62 -0.75 4.63 4.41 2j9pA1 ASP 370 HB2 -0.14 -0.06 0.16 -0.04 2.71 2.63 2j9pA1 ASP 370 HB3 -0.17 -0.01 0.09 -0.04 2.70 2.57 2j9pA1 GLN 371 H -0.39 0.37 -0.60 -0.55 8.47 7.30 2j9pA1 GLN 371 HA -0.40 0.05 0.47 -0.75 4.36 3.72 2j9pA1 GLN 371 HB2 -0.89 0.37 0.11 -0.04 2.15 1.70 2j9pA1 GLN 371 HB3 -1.82 -0.21 -0.07 -0.04 2.02 -0.12 2j9pA1 GLN 371 HG2 -1.32 0.03 -0.02 -0.04 2.40 1.05 2j9pA1 GLN 371 HG3 -0.98 -0.11 0.05 -0.04 2.39 1.31 2j9pA1 GLN 371 HE21 -0.07 0.04 -0.03 -0.04 6.97 6.86 2j9pA1 GLN 371 HE22 -0.13 -0.08 0.03 -0.04 7.69 7.48 2j9pA1 SER 372 H -0.31 0.17 0.19 -0.55 8.46 7.97 2j9pA1 SER 372 HA -0.08 0.12 0.39 -0.75 4.49 4.16 2j9pA1 SER 372 HB2 0.02 -0.00 0.08 -0.04 3.95 4.01 2j9pA1 SER 372 HB3 -0.04 0.06 0.18 -0.04 3.93 4.08 2j9pA1 TRP 373 H -0.63 0.09 -0.28 -0.55 7.97 6.60 2j9pA1 TRP 373 HA 0.02 0.14 0.63 -0.75 4.62 4.66 2j9pA1 TRP 373 HB2 0.01 -0.04 0.13 -0.04 3.23 3.29 2j9pA1 TRP 373 HB3 0.00 -0.05 0.07 -0.04 3.23 3.21 2j9pA1 TRP 373 HD1 0.04 -0.03 0.01 -0.04 7.22 7.20 2j9pA1 TRP 373 HE1 0.10 0.08 -0.11 -0.04 10.20 10.23 2j9pA1 TRP 373 HE3 0.10 -0.09 -0.37 -0.04 7.59 7.19 2j9pA1 TRP 373 HZ2 0.39 0.03 -0.07 -0.04 7.44 7.75 2j9pA1 TRP 373 HZ3 -0.29 0.01 -0.09 -0.04 7.13 6.72 2j9pA1 TRP 373 HH2 -0.28 -0.02 -0.04 -0.04 7.19 6.82 2j9pA1 PHE 374 H -0.02 0.76 -0.40 -0.55 8.34 8.13 2j9pA1 PHE 374 HA 0.12 0.01 0.25 -0.75 4.62 4.25 2j9pA1 PHE 374 HB2 -0.27 0.18 0.16 -0.04 3.15 3.19 2j9pA1 PHE 374 HB3 -0.12 -0.00 0.10 -0.04 3.06 3.00 2j9pA1 PHE 374 HD2 -0.16 0.03 -0.15 -0.04 7.28 6.96 2j9pA1 PHE 374 HE2 -0.17 0.01 -0.09 -0.04 7.38 7.08 2j9pA1 PHE 374 HZ -1.02 0.01 -0.05 -0.04 7.32 6.22 2j9pA1 SER 375 H 0.10 0.22 -0.17 -0.55 8.46 8.06 2j9pA1 SER 375 HA -0.06 0.08 0.35 -0.75 4.49 4.10 2j9pA1 SER 375 HB2 0.05 0.04 0.09 -0.04 3.95 4.09 2j9pA1 SER 375 HB3 0.05 -0.00 0.07 -0.04 3.93 4.01 2j9pA1 ALA 376 H 0.09 0.18 -0.27 -0.55 8.40 7.86 2j9pA1 ALA 376 HA 0.02 0.10 0.49 -0.75 4.34 4.20 2j9pA1 ALA 376 HB3 0.02 0.01 0.08 -0.04 1.41 1.48 2j9pA1 TYR 377 H 0.21 0.40 -0.14 -0.55 8.29 8.20 2j9pA1 TYR 377 HA 0.18 -0.01 0.32 -0.75 4.56 4.30 2j9pA1 TYR 377 HB2 0.34 -0.03 0.01 -0.04 3.06 3.35 2j9pA1 TYR 377 HB3 -0.13 0.15 0.11 -0.04 2.98 3.07 2j9pA1 TYR 377 HD2 0.08 0.03 -0.36 -0.04 7.15 6.85 2j9pA1 TYR 377 HE2 0.14 -0.08 -0.14 -0.04 6.85 6.73 2j9pA1 LEU 378 H -0.34 0.64 -0.05 -0.55 8.37 8.07 2j9pA1 LEU 378 HA -0.07 0.03 0.39 -0.75 4.35 3.94 2j9pA1 LEU 378 HB2 -1.03 -0.01 0.05 -0.04 1.64 0.61 2j9pA1 LEU 378 HB3 -0.34 0.05 0.05 -0.04 1.64 1.35 2j9pA1 LEU 378 HG -0.08 0.04 -0.20 -0.04 1.64 1.35 2j9pA1 LEU 378 HD13 -0.14 -0.01 0.01 -0.04 0.93 0.76 2j9pA1 LEU 378 HD23 0.02 -0.02 -0.05 -0.04 0.89 0.80 2j9pA1 ASN 379 H -0.07 0.31 -0.37 -0.55 8.53 7.85 2j9pA1 ASN 379 HA -0.02 0.05 0.42 -0.75 4.76 4.45 2j9pA1 ASN 379 HB2 -0.01 0.01 0.15 -0.04 2.88 2.98 2j9pA1 ASN 379 HB3 0.00 0.10 0.18 -0.04 2.79 3.03 2j9pA1 ASN 379 HD21 0.01 -0.06 0.03 -0.04 7.03 6.96 2j9pA1 ASN 379 HD22 -0.00 -0.01 0.05 -0.04 7.74 7.74 2j9pA1 SER 380 H -0.01 0.34 -0.35 -0.55 8.46 7.89 2j9pA1 SER 380 HA -0.00 0.03 0.37 -0.75 4.49 4.13 2j9pA1 SER 380 HB2 -0.07 -0.03 -0.06 -0.04 3.95 3.75 2j9pA1 SER 380 HB3 0.13 -0.09 -0.18 -0.04 3.93 3.75 2j9pA1 LEU 381 H -0.06 0.30 -0.68 -0.55 8.37 7.40 2j9pA1 LEU 381 HA -0.11 0.07 0.42 -0.75 4.35 3.98 2j9pA1 LEU 381 HB2 0.03 0.18 0.02 -0.04 1.64 1.82 2j9pA1 LEU 381 HB3 0.03 -0.08 -0.34 -0.04 1.64 1.21 2j9pA1 LEU 381 HG -0.01 0.15 -0.02 -0.04 1.64 1.72 2j9pA1 LEU 381 HD13 0.29 -0.04 -0.08 -0.04 0.93 1.05 2j9pA1 LEU 381 HD23 -0.17 -0.04 -0.20 -0.04 0.89 0.44 2j9pA1 PRO 382 HA -0.02 0.02 0.11 -0.51 4.44 4.04 2j9pA1 PRO 382 HB2 -0.02 0.00 0.15 -0.04 2.28 2.37 2j9pA1 PRO 382 HB3 -0.03 0.07 0.01 -0.04 2.02 2.03 2j9pA1 PRO 382 HG2 -0.07 -0.16 0.27 -0.04 2.03 2.02 2j9pA1 PRO 382 HG3 -0.07 -0.00 0.26 -0.04 2.03 2.18 2j9pA1 PRO 382 HD2 -0.08 0.14 0.13 -0.04 3.68 3.82 2j9pA1 PRO 382 HD3 -0.12 0.31 0.17 -0.04 3.65 3.98 2j9pA1 VAL 383 H -0.00 0.64 0.45 -0.55 8.24 8.78 2j9pA1 VAL 383 HA 0.03 0.12 0.80 -0.75 4.13 4.33 2j9pA1 VAL 383 HB 0.01 -0.13 0.11 -0.04 2.12 2.07 2j9pA1 VAL 383 HG13 0.02 -0.02 -0.06 -0.04 0.97 0.87 2j9pA1 VAL 383 HG23 0.01 0.05 0.07 -0.04 0.95 1.04 2j9pA1 ALA 384 H 0.04 0.60 0.32 -0.55 8.40 8.81 2j9pA1 ALA 384 HA 0.01 0.15 0.45 -0.75 4.34 4.20 2j9pA1 ALA 384 HB3 0.03 -0.03 0.04 -0.04 1.41 1.42 2j9pA1 GLY 385 H 0.00 0.53 0.29 -0.55 8.43 8.70 2j9pA1 GLY 385 HA2 0.00 0.01 0.20 -0.51 4.01 3.71 2j9pA1 GLY 385 HA3 0.01 -0.05 0.46 -0.51 4.01 3.92 2j9pA1 ASN 386 H 0.00 0.38 -0.43 -0.55 8.53 7.94 2j9pA1 ASN 386 HA 0.00 0.04 0.47 -0.75 4.76 4.52 2j9pA1 ASN 386 HB2 0.01 0.08 0.01 -0.04 2.88 2.93 2j9pA1 ASN 386 HB3 -0.00 -0.01 0.05 -0.04 2.79 2.79 2j9pA1 ASN 386 HD21 0.00 -0.04 -0.02 -0.04 7.03 6.94 2j9pA1 ASN 386 HD22 0.01 0.11 -0.05 -0.04 7.74 7.76 2j9pA1 PRO 387 HA -0.01 0.17 0.46 -0.51 4.44 4.56 2j9pA1 PRO 387 HB2 -0.00 -0.05 0.06 -0.04 2.28 2.25 2j9pA1 PRO 387 HB3 -0.00 0.08 0.14 -0.04 2.02 2.20 2j9pA1 PRO 387 HG2 -0.00 -0.05 0.05 -0.04 2.03 1.99 2j9pA1 PRO 387 HG3 0.00 0.02 0.09 -0.04 2.03 2.10 2j9pA1 PRO 387 HD2 0.00 0.02 0.26 -0.04 3.68 3.92 2j9pA1 PRO 387 HD3 0.00 0.30 0.30 -0.04 3.65 4.21 2j9pA1 ASP 388 H -0.00 0.12 -0.33 -0.55 8.40 7.63 2j9pA1 ASP 388 HA -0.01 0.10 0.62 -0.75 4.63 4.59 2j9pA1 ASP 388 HB2 -0.00 0.07 0.04 -0.04 2.71 2.77 2j9pA1 ASP 388 HB3 -0.00 -0.00 0.07 -0.04 2.70 2.73 2j9pA1 ARG 389 H -0.02 0.22 0.18 -0.55 8.46 8.29 2j9pA1 ARG 389 HA -0.03 0.16 0.33 -0.75 4.34 4.04 2j9pA1 ARG 389 HB2 -0.05 0.04 0.04 -0.04 1.90 1.88 2j9pA1 ARG 389 HB3 -0.04 0.06 0.11 -0.04 1.80 1.90 2j9pA1 ARG 389 HG2 -0.03 -0.08 0.11 -0.04 1.67 1.64 2j9pA1 ARG 389 HG3 -0.04 0.04 -0.12 -0.04 1.67 1.50 2j9pA1 ARG 389 HD2 -0.05 0.03 0.02 -0.04 3.22 3.18 2j9pA1 ARG 389 HD3 -0.03 -0.01 -0.00 -0.04 3.22 3.13 2j9pA1 MET 390 H -0.01 0.04 -0.41 -0.55 8.47 7.54 2j9pA1 MET 390 HA -0.02 0.23 0.66 -0.75 4.52 4.64 2j9pA1 MET 390 HB2 -0.00 -0.04 0.02 -0.04 2.15 2.08 2j9pA1 MET 390 HB3 0.01 0.07 0.14 -0.04 2.03 2.21 2j9pA1 MET 390 HG2 -0.02 -0.11 -0.11 -0.04 2.63 2.34 2j9pA1 MET 390 HG3 -0.01 0.00 -0.03 -0.04 2.56 2.48 2j9pA1 MET 390 HE3 0.02 0.01 -0.02 -0.04 2.10 2.07 2j9pA1 VAL 391 H -0.01 0.11 -0.36 -0.55 8.24 7.43 2j9pA1 VAL 391 HA -0.00 0.25 0.66 -0.75 4.13 4.28 2j9pA1 VAL 391 HB -0.00 -0.10 0.02 -0.04 2.12 2.00 2j9pA1 VAL 391 HG13 0.00 0.02 -0.06 -0.04 0.97 0.89 2j9pA1 VAL 391 HG23 0.00 -0.03 -0.21 -0.04 0.95 0.67 2j9pA1 GLY 392 H -0.01 0.65 0.23 -0.55 8.43 8.75 2j9pA1 GLY 392 HA2 -0.00 0.33 0.81 -0.51 4.01 4.63 2j9pA1 GLY 392 HA3 -0.01 0.34 0.30 -0.51 4.01 4.13 2j9pA1 GLY 393 H -0.02 -0.05 -0.06 -0.55 8.43 7.75 2j9pA1 GLY 393 HA2 -0.04 0.26 0.39 -0.51 4.01 4.10 2j9pA1 GLY 393 HA3 -0.04 0.13 0.43 -0.51 4.01 4.02 2j9pA1 THR 394 H -0.06 0.47 0.32 -0.55 8.28 8.46 2j9pA1 THR 394 HA -0.04 0.00 0.44 -0.75 4.39 4.03 2j9pA1 THR 394 HB -0.05 -0.09 0.20 -0.04 4.32 4.34 2j9pA1 THR 394 HG23 -0.06 0.02 0.09 -0.04 1.22 1.23 2j9pA1 LEU 395 H -0.02 0.52 -0.89 -0.55 8.37 7.44 2j9pA1 LEU 395 HA -0.01 0.03 0.76 -0.75 4.35 4.38 2j9pA1 LEU 395 HB2 -0.00 0.32 -0.12 -0.04 1.64 1.80 2j9pA1 LEU 395 HB3 0.01 -0.17 0.13 -0.04 1.64 1.56 2j9pA1 LEU 395 HG -0.01 -0.01 -0.22 -0.04 1.64 1.36 2j9pA1 LEU 395 HD13 0.03 0.03 -0.14 -0.04 0.93 0.81 2j9pA1 LEU 395 HD23 0.01 -0.02 -0.07 -0.04 0.89 0.77 2j9pA1 ARG 396 H -0.02 0.22 -0.20 -0.55 8.46 7.92 2j9pA1 ARG 396 HA -0.01 0.39 0.40 -0.75 4.34 4.37 2j9pA1 ARG 396 HB2 -0.01 -0.02 -0.07 -0.04 1.90 1.75 2j9pA1 ARG 396 HB3 -0.02 0.18 -0.09 -0.04 1.80 1.83 2j9pA1 ARG 396 HG2 -0.02 -0.07 -0.01 -0.04 1.67 1.53 2j9pA1 ARG 396 HG3 -0.01 -0.02 -0.28 -0.04 1.67 1.31 2j9pA1 ARG 396 HD2 -0.02 0.05 -0.06 -0.04 3.22 3.15 2j9pA1 ARG 396 HD3 -0.03 0.00 -0.04 -0.04 3.22 3.11 2j9pA1 ASN 397 H -0.01 0.07 -0.16 -0.55 8.53 7.88 2j9pA1 ASN 397 HA -0.00 0.24 0.72 -0.75 4.76 4.97 2j9pA1 ASN 397 HB2 -0.01 -0.01 -0.02 -0.04 2.88 2.80 2j9pA1 ASN 397 HB3 -0.00 -0.01 0.12 -0.04 2.79 2.85 2j9pA1 ASN 397 HD21 -0.01 0.01 -0.04 -0.04 7.03 6.95 2j9pA1 ASN 397 HD22 -0.01 -0.00 -0.02 -0.04 7.74 7.66 2j9pA1 ARG 398 H -0.00 0.15 -0.54 -0.55 8.46 7.51 2j9pA1 ARG 398 HA -0.00 0.16 0.86 -0.75 4.34 4.59 2j9pA1 ARG 398 HB2 0.00 0.06 0.02 -0.04 1.90 1.94 2j9pA1 ARG 398 HB3 -0.00 -0.01 -0.01 -0.04 1.80 1.75 2j9pA1 ARG 398 HG2 -0.01 -0.14 -0.18 -0.04 1.67 1.30 2j9pA1 ARG 398 HG3 -0.01 0.14 0.08 -0.04 1.67 1.84 2j9pA1 ARG 398 HD2 -0.01 0.01 -0.04 -0.04 3.22 3.14 2j9pA1 ARG 398 HD3 -0.01 0.00 -0.02 -0.04 3.22 3.15 2j9pA1 MET 399 H -0.00 0.14 0.09 -0.55 8.47 8.16 2j9pA1 MET 399 HA -0.00 0.05 0.23 -0.75 4.52 4.04 2j9pA1 MET 399 HB2 0.01 0.17 -0.29 -0.04 2.15 1.99 2j9pA1 MET 399 HB3 -0.00 -0.11 0.07 -0.04 2.03 1.95 2j9pA1 MET 399 HG2 -0.01 0.03 -0.02 -0.04 2.63 2.59 2j9pA1 MET 399 HG3 -0.00 -0.07 -0.09 -0.04 2.56 2.36 2j9pA1 MET 399 HE3 0.02 -0.01 -0.16 -0.04 2.10 1.92 2j9pA1 LYS 400 H -0.00 0.08 -0.39 -0.55 8.42 7.56 2j9pA1 LYS 400 HA 0.00 0.10 0.54 -0.75 4.32 4.20 2j9pA1 LYS 400 HB2 -0.00 -0.03 -0.01 -0.04 1.87 1.79 2j9pA1 LYS 400 HB3 0.00 -0.01 -0.03 -0.04 1.79 1.71 2j9pA1 LYS 400 HG2 0.00 0.06 0.07 -0.04 1.46 1.55 2j9pA1 LYS 400 HG3 -0.00 -0.02 -0.18 -0.04 1.46 1.22 2j9pA1 LYS 400 HD2 0.00 -0.11 0.01 -0.04 1.69 1.55 2j9pA1 LYS 400 HD3 -0.00 0.21 0.08 -0.04 1.68 1.94 2j9pA1 LYS 400 HE2 -0.00 -0.08 0.02 -0.04 2.99 2.88 2j9pA1 LYS 400 HE3 -0.00 0.19 0.08 -0.04 2.99 3.22 2j9pA1 GLY 401 H 0.00 0.17 0.18 -0.55 8.43 8.24 2j9pA1 GLY 401 HA2 -0.00 0.02 0.31 -0.51 4.01 3.83 2j9pA1 GLY 401 HA3 -0.00 0.05 0.41 -0.51 4.01 3.96 2j9pA1 THR 402 H -0.00 0.26 -0.05 -0.55 8.28 7.94 2j9pA1 THR 402 HA -0.01 0.21 0.74 -0.75 4.39 4.58 2j9pA1 THR 402 HB -0.01 0.00 0.07 -0.04 4.32 4.34 2j9pA1 THR 402 HG23 -0.01 0.04 -0.34 -0.04 1.22 0.87 2j9pA1 PRO 403 HA -0.00 0.13 0.38 -0.51 4.44 4.44 2j9pA1 PRO 403 HB2 -0.01 0.12 -0.13 -0.04 2.28 2.22 2j9pA1 PRO 403 HB3 -0.01 0.02 0.03 -0.04 2.02 2.03 2j9pA1 PRO 403 HG2 -0.02 0.01 0.02 -0.04 2.03 2.00 2j9pA1 PRO 403 HG3 -0.02 0.06 0.01 -0.04 2.03 2.04 2j9pA1 PRO 403 HD2 -0.01 0.06 0.18 -0.04 3.68 3.87 2j9pA1 PRO 403 HD3 -0.01 0.14 0.11 -0.04 3.65 3.86 2j9pA1 ALA 404 H -0.01 -0.01 -0.44 -0.55 8.40 7.38 2j9pA1 ALA 404 HA 0.00 0.14 0.40 -0.75 4.34 4.13 2j9pA1 ALA 404 HB3 -0.01 -0.02 -0.09 -0.04 1.41 1.25 2j9pA1 GLN 405 H 0.00 0.21 -0.17 -0.55 8.47 7.97 2j9pA1 GLN 405 HA 0.01 0.11 0.28 -0.75 4.36 4.01 2j9pA1 GLN 405 HB2 0.00 0.13 0.26 -0.04 2.15 2.50 2j9pA1 GLN 405 HB3 0.01 0.01 0.14 -0.04 2.02 2.14 2j9pA1 GLN 405 HG2 0.01 0.02 -0.16 -0.04 2.40 2.23 2j9pA1 GLN 405 HG3 0.01 0.06 0.07 -0.04 2.39 2.48 2j9pA1 GLN 405 HE21 0.00 -0.07 0.05 -0.04 6.97 6.91 2j9pA1 GLN 405 HE22 0.00 0.21 -0.05 -0.04 7.69 7.81 2j9pA1 GLY 406 H 0.02 0.59 0.31 -0.55 8.43 8.81 2j9pA1 GLY 406 HA2 0.02 -0.02 0.34 -0.51 4.01 3.84 2j9pA1 GLY 406 HA3 0.02 0.02 0.49 -0.51 4.01 4.03 2j9pA1 LYS 407 H 0.03 0.51 -0.09 -0.55 8.42 8.32 2j9pA1 LYS 407 HA 0.05 0.12 0.94 -0.75 4.32 4.67 2j9pA1 LYS 407 HB2 0.03 0.05 0.10 -0.04 1.87 2.01 2j9pA1 LYS 407 HB3 0.04 -0.08 0.14 -0.04 1.79 1.85 2j9pA1 LYS 407 HG2 0.02 0.19 -0.36 -0.04 1.46 1.27 2j9pA1 LYS 407 HG3 0.02 0.09 -0.03 -0.04 1.46 1.50 2j9pA1 LYS 407 HD2 0.03 -0.14 -0.01 -0.04 1.69 1.52 2j9pA1 LYS 407 HD3 0.03 0.16 -0.13 -0.04 1.68 1.70 2j9pA1 LYS 407 HE2 0.01 0.07 -0.09 -0.04 2.99 2.95 2j9pA1 LYS 407 HE3 0.01 -0.04 -0.04 -0.04 2.99 2.88 2j9pA1 VAL 408 H 0.06 0.24 0.25 -0.55 8.24 8.23 2j9pA1 VAL 408 HA 0.16 0.35 1.17 -0.75 4.13 5.06 2j9pA1 VAL 408 HB 0.07 -0.08 0.15 -0.04 2.12 2.22 2j9pA1 VAL 408 HG13 0.24 -0.01 -0.29 -0.04 0.97 0.87 2j9pA1 VAL 408 HG23 0.04 -0.02 -0.06 -0.04 0.95 0.88 2j9pA1 ARG 409 H 0.20 0.54 0.26 -0.55 8.46 8.90 2j9pA1 ARG 409 HA 0.08 0.43 0.91 -0.75 4.34 5.01 2j9pA1 ARG 409 HB2 0.18 -0.13 0.18 -0.04 1.90 2.08 2j9pA1 ARG 409 HB3 0.09 0.13 -0.03 -0.04 1.80 1.95 2j9pA1 ARG 409 HG2 0.04 0.15 -0.11 -0.04 1.67 1.71 2j9pA1 ARG 409 HG3 0.07 -0.13 -0.38 -0.04 1.67 1.20 2j9pA1 ARG 409 HD2 0.06 -0.09 -0.06 -0.04 3.22 3.10 2j9pA1 ARG 409 HD3 0.02 0.09 -0.07 -0.04 3.22 3.22 2j9pA1 ALA 410 H 0.04 0.62 0.15 -0.55 8.40 8.67 2j9pA1 ALA 410 HA -0.01 0.11 0.88 -0.75 4.34 4.56 2j9pA1 ALA 410 HB3 -0.01 -0.02 -0.36 -0.04 1.41 0.98 2j9pA1 LYS 411 H -0.10 0.56 0.35 -0.55 8.42 8.68 2j9pA1 LYS 411 HA -0.10 0.20 0.90 -0.75 4.32 4.57 2j9pA1 LYS 411 HB2 -0.13 0.01 0.07 -0.04 1.87 1.79 2j9pA1 LYS 411 HB3 -0.11 -0.04 0.18 -0.04 1.79 1.78 2j9pA1 LYS 411 HG2 -0.15 -0.10 -0.01 -0.04 1.46 1.16 2j9pA1 LYS 411 HG3 -0.12 0.22 -0.13 -0.04 1.46 1.39 2j9pA1 LYS 411 HD2 -0.19 0.16 0.17 -0.04 1.69 1.78 2j9pA1 LYS 411 HD3 -0.30 -0.09 0.02 -0.04 1.68 1.26 2j9pA1 LYS 411 HE2 -0.28 0.00 0.10 -0.04 2.99 2.77 2j9pA1 LYS 411 HE3 -0.22 -0.08 0.06 -0.04 2.99 2.71 2j9pA1 THR 412 H -0.08 0.17 0.18 -0.55 8.28 8.00 2j9pA1 THR 412 HA -0.04 0.25 0.90 -0.75 4.39 4.74 2j9pA1 THR 412 HB -0.04 -0.03 0.14 -0.04 4.32 4.34 2j9pA1 THR 412 HG23 -0.02 0.04 -0.09 -0.04 1.22 1.11 2j9pA1 GLY 413 H -0.05 0.45 0.36 -0.55 8.43 8.65 2j9pA1 GLY 413 HA2 -0.08 0.03 0.73 -0.51 4.01 4.18 2j9pA1 GLY 413 HA3 -0.06 0.04 0.30 -0.51 4.01 3.77 2j9pA1 SER 414 H -0.10 0.07 0.15 -0.55 8.46 8.03 2j9pA1 SER 414 HA -0.06 0.23 0.61 -0.75 4.49 4.51 2j9pA1 SER 414 HB2 -0.06 0.12 -0.12 -0.04 3.95 3.85 2j9pA1 SER 414 HB3 -0.10 -0.02 0.05 -0.04 3.93 3.81 2j9pA1 LEU 415 H -0.05 0.52 0.23 -0.55 8.37 8.52 2j9pA1 LEU 415 HA -0.11 0.16 0.75 -0.75 4.35 4.39 2j9pA1 LEU 415 HB2 -0.09 0.03 -0.04 -0.04 1.64 1.51 2j9pA1 LEU 415 HB3 -0.17 -0.03 0.18 -0.04 1.64 1.58 2j9pA1 LEU 415 HG -0.17 -0.17 -0.30 -0.04 1.64 0.96 2j9pA1 LEU 415 HD13 -0.52 0.07 -0.14 -0.04 0.93 0.30 2j9pA1 LEU 415 HD23 -0.19 0.09 0.06 -0.04 0.89 0.81 2j9pA1 SER 416 H 0.11 0.15 0.19 -0.55 8.46 8.36 2j9pA1 SER 416 HA 0.02 0.01 0.62 -0.75 4.49 4.39 2j9pA1 SER 416 HB2 0.08 -0.01 0.23 -0.04 3.95 4.21 2j9pA1 SER 416 HB3 0.01 0.09 0.07 -0.04 3.93 4.06 2j9pA1 THR 417 H 0.02 0.01 0.23 -0.55 8.28 7.99 2j9pA1 THR 417 HA 0.01 0.06 0.21 -0.75 4.39 3.91 2j9pA1 THR 417 HB 0.01 0.08 0.17 -0.04 4.32 4.53 2j9pA1 THR 417 HG23 -0.01 -0.03 -0.27 -0.04 1.22 0.87 2j9pA1 VAL 418 H 0.03 0.29 -0.62 -0.55 8.24 7.39 2j9pA1 VAL 418 HA 0.01 0.38 1.22 -0.75 4.13 4.99 2j9pA1 VAL 418 HB -0.01 -0.18 -0.10 -0.04 2.12 1.79 2j9pA1 VAL 418 HG13 -0.02 0.02 -0.24 -0.04 0.97 0.69 2j9pA1 VAL 418 HG23 0.08 0.02 -0.11 -0.04 0.95 0.90 2j9pA1 SER 419 H -0.01 0.82 0.41 -0.55 8.46 9.13 2j9pA1 SER 419 HA -0.03 0.20 0.73 -0.75 4.49 4.64 2j9pA1 SER 419 HB2 -0.02 0.04 -0.04 -0.04 3.95 3.88 2j9pA1 SER 419 HB3 -0.02 -0.04 0.05 -0.04 3.93 3.88 2j9pA1 SER 420 H -0.03 0.40 0.33 -0.55 8.46 8.61 2j9pA1 SER 420 HA -0.00 0.14 0.65 -0.75 4.49 4.53 2j9pA1 SER 420 HB2 -0.02 0.10 0.16 -0.04 3.95 4.16 2j9pA1 SER 420 HB3 -0.02 0.04 -0.10 -0.04 3.93 3.81 2j9pA1 LEU 421 H 0.03 0.66 0.34 -0.55 8.37 8.86 2j9pA1 LEU 421 HA -0.00 0.30 0.78 -0.75 4.35 4.68 2j9pA1 LEU 421 HB2 0.06 -0.03 -0.12 -0.04 1.64 1.50 2j9pA1 LEU 421 HB3 0.17 -0.06 0.03 -0.04 1.64 1.74 2j9pA1 LEU 421 HG 0.24 0.02 -0.30 -0.04 1.64 1.56 2j9pA1 LEU 421 HD13 0.04 0.06 -0.17 -0.04 0.93 0.81 2j9pA1 LEU 421 HD23 0.16 -0.01 -0.22 -0.04 0.89 0.78 2j9pA1 SER 422 H -0.13 0.56 0.21 -0.55 8.46 8.55 2j9pA1 SER 422 HA -0.74 0.14 0.64 -0.75 4.49 3.78 2j9pA1 SER 422 HB2 -0.26 0.12 0.18 -0.04 3.95 3.95 2j9pA1 SER 422 HB3 -0.14 -0.21 0.14 -0.04 3.93 3.67 2j9pA1 GLY 423 H -1.43 0.45 0.26 -0.55 8.43 7.16 2j9pA1 GLY 423 HA2 -0.46 0.02 0.43 -0.51 4.01 3.50 2j9pA1 GLY 423 HA3 -0.26 0.14 0.76 -0.51 4.01 4.14 2j9pA1 TYR 424 H 0.19 0.88 0.38 -0.55 8.29 9.19 2j9pA1 TYR 424 HA 0.15 0.25 1.19 -0.75 4.56 5.40 2j9pA1 TYR 424 HB2 0.13 0.01 0.11 -0.04 3.06 3.26 2j9pA1 TYR 424 HB3 0.13 -0.01 0.09 -0.04 2.98 3.15 2j9pA1 TYR 424 HD2 0.10 0.08 0.01 -0.04 7.15 7.30 2j9pA1 TYR 424 HE2 0.14 0.10 -0.09 -0.04 6.85 6.96 2j9pA1 ALA 425 H 0.31 0.46 0.29 -0.55 8.40 8.90 2j9pA1 ALA 425 HA 0.18 0.28 0.98 -0.75 4.34 5.02 2j9pA1 ALA 425 HB3 0.10 -0.01 -0.14 -0.04 1.41 1.32 2j9pA1 GLU 426 H 0.09 0.61 0.25 -0.55 8.60 9.01 2j9pA1 GLU 426 HA 0.07 0.03 0.71 -0.75 4.29 4.35 2j9pA1 GLU 426 HB2 0.05 0.04 0.20 -0.04 2.09 2.33 2j9pA1 GLU 426 HB3 0.04 -0.08 0.12 -0.04 1.99 2.03 2j9pA1 GLU 426 HG2 0.06 -0.05 0.06 -0.04 2.34 2.37 2j9pA1 GLU 426 HG3 0.07 0.17 0.15 -0.04 2.34 2.69 2j9pA1 THR 427 H 0.04 0.57 0.20 -0.55 8.28 8.54 2j9pA1 THR 427 HA 0.02 0.38 0.77 -0.75 4.39 4.80 2j9pA1 THR 427 HB 0.01 -0.22 -0.01 -0.04 4.32 4.07 2j9pA1 THR 427 HG23 0.03 0.03 -0.22 -0.04 1.22 1.03 2j9pA1 LYS 428 H 0.02 0.10 -0.20 -0.55 8.42 7.78 2j9pA1 LYS 428 HA 0.01 0.01 0.36 -0.75 4.32 3.95 2j9pA1 LYS 428 HB2 0.01 0.32 -0.39 -0.04 1.87 1.77 2j9pA1 LYS 428 HB3 0.01 -0.04 0.08 -0.04 1.79 1.80 2j9pA1 LYS 428 HG2 0.01 0.04 -0.04 -0.04 1.46 1.43 2j9pA1 LYS 428 HG3 0.01 0.00 -0.03 -0.04 1.46 1.40 2j9pA1 LYS 428 HD2 0.01 -0.03 0.02 -0.04 1.69 1.64 2j9pA1 LYS 428 HD3 0.01 -0.04 0.08 -0.04 1.68 1.69 2j9pA1 LYS 428 HE2 0.01 -0.02 -0.01 -0.04 2.99 2.93 2j9pA1 LYS 428 HE3 0.01 -0.05 0.01 -0.04 2.99 2.91 2j9pA1 SER 429 H 0.01 0.78 -0.67 -0.55 8.46 8.03 2j9pA1 SER 429 HA 0.01 0.07 0.51 -0.75 4.49 4.33 2j9pA1 SER 429 HB2 0.01 -0.08 0.18 -0.04 3.95 4.02 2j9pA1 SER 429 HB3 0.01 0.08 0.13 -0.04 3.93 4.10 2j9pA1 GLY 430 H 0.01 0.32 -1.13 -0.55 8.43 7.09 2j9pA1 GLY 430 HA2 0.01 0.02 0.28 -0.51 4.01 3.82 2j9pA1 GLY 430 HA3 0.01 0.09 0.64 -0.51 4.01 4.24 2j9pA1 LYS 431 H 0.02 0.25 0.06 -0.55 8.42 8.19 2j9pA1 LYS 431 HA 0.03 0.04 0.35 -0.75 4.32 3.99 2j9pA1 LYS 431 HB2 0.04 -0.08 0.19 -0.04 1.87 1.98 2j9pA1 LYS 431 HB3 0.02 0.02 0.15 -0.04 1.79 1.94 2j9pA1 LYS 431 HG2 0.02 0.09 -0.07 -0.04 1.46 1.46 2j9pA1 LYS 431 HG3 0.03 0.01 -0.44 -0.04 1.46 1.03 2j9pA1 LYS 431 HD2 0.03 -0.05 -0.02 -0.04 1.69 1.62 2j9pA1 LYS 431 HD3 0.02 -0.01 0.01 -0.04 1.68 1.66 2j9pA1 LYS 431 HE2 0.02 0.10 -0.04 -0.04 2.99 3.03 2j9pA1 LYS 431 HE3 0.03 0.02 -0.14 -0.04 2.99 2.85 2j9pA1 LYS 432 H 0.05 0.11 0.28 -0.55 8.42 8.31 2j9pA1 LYS 432 HA 0.08 0.29 1.00 -0.75 4.32 4.94 2j9pA1 LYS 432 HB2 0.06 0.04 -0.01 -0.04 1.87 1.92 2j9pA1 LYS 432 HB3 0.08 -0.09 0.07 -0.04 1.79 1.81 2j9pA1 LYS 432 HG2 0.21 0.06 -0.02 -0.04 1.46 1.67 2j9pA1 LYS 432 HG3 0.14 0.06 -0.15 -0.04 1.46 1.46 2j9pA1 LYS 432 HD2 0.06 -0.02 -0.05 -0.04 1.69 1.64 2j9pA1 LYS 432 HD3 0.10 0.02 -0.06 -0.04 1.68 1.70 2j9pA1 LYS 432 HE2 0.04 -0.03 -0.03 -0.04 2.99 2.93 2j9pA1 LYS 432 HE3 0.02 0.01 -0.03 -0.04 2.99 2.95 2j9pA1 LEU 433 H 0.15 0.64 0.35 -0.55 8.37 8.96 2j9pA1 LEU 433 HA 0.12 0.07 1.12 -0.75 4.35 4.90 2j9pA1 LEU 433 HB2 0.12 0.01 -0.00 -0.04 1.64 1.73 2j9pA1 LEU 433 HB3 0.10 0.01 0.05 -0.04 1.64 1.76 2j9pA1 LEU 433 HG 0.05 0.06 -0.24 -0.04 1.64 1.47 2j9pA1 LEU 433 HD13 0.01 -0.01 -0.09 -0.04 0.93 0.80 2j9pA1 LEU 433 HD23 0.05 0.01 -0.16 -0.04 0.89 0.74 2j9pA1 VAL 434 H 0.13 0.78 0.37 -0.55 8.24 8.97 2j9pA1 VAL 434 HA 0.02 0.27 0.95 -0.75 4.13 4.62 2j9pA1 VAL 434 HB 0.08 -0.11 0.02 -0.04 2.12 2.06 2j9pA1 VAL 434 HG13 -0.10 0.06 -0.03 -0.04 0.97 0.86 2j9pA1 VAL 434 HG23 0.22 0.00 -0.19 -0.04 0.95 0.94 2j9pA1 PHE 435 H -0.28 0.56 0.33 -0.55 8.34 8.40 2j9pA1 PHE 435 HA -0.01 0.24 0.75 -0.75 4.62 4.85 2j9pA1 PHE 435 HB2 -0.01 0.03 0.07 -0.04 3.15 3.20 2j9pA1 PHE 435 HB3 -0.01 0.01 -0.33 -0.04 3.06 2.69 2j9pA1 PHE 435 HD2 -0.02 0.03 -0.36 -0.04 7.28 6.89 2j9pA1 PHE 435 HE2 -0.01 0.07 -0.47 -0.04 7.38 6.93 2j9pA1 PHE 435 HZ -0.01 0.02 -0.34 -0.04 7.32 6.95 2j9pA1 SER 436 H 0.13 0.56 0.36 -0.55 8.46 8.96 2j9pA1 SER 436 HA -0.15 0.12 0.96 -0.75 4.49 4.67 2j9pA1 SER 436 HB2 -0.07 0.01 -0.12 -0.04 3.95 3.72 2j9pA1 SER 436 HB3 0.01 -0.04 0.21 -0.04 3.93 4.07 2j9pA1 ILE 437 H 0.06 0.70 0.28 -0.55 8.25 8.74 2j9pA1 ILE 437 HA 0.08 0.18 1.07 -0.75 4.18 4.75 2j9pA1 ILE 437 HB 0.12 -0.02 0.29 -0.04 1.89 2.24 2j9pA1 ILE 437 HG12 0.11 -0.01 -0.12 -0.04 1.49 1.43 2j9pA1 ILE 437 HG13 0.45 -0.07 -0.32 -0.04 1.21 1.23 2j9pA1 ILE 437 HG23 0.01 -0.01 -0.17 -0.04 0.93 0.72 2j9pA1 ILE 437 HD13 0.01 -0.01 -0.11 -0.04 0.88 0.73 2j9pA1 LEU 438 H 0.03 0.79 0.32 -0.55 8.37 8.97 2j9pA1 LEU 438 HA 0.00 0.18 1.06 -0.75 4.35 4.84 2j9pA1 LEU 438 HB2 0.02 -0.07 0.14 -0.04 1.64 1.69 2j9pA1 LEU 438 HB3 0.01 0.11 -0.09 -0.04 1.64 1.63 2j9pA1 LEU 438 HG 0.02 -0.07 -0.29 -0.04 1.64 1.26 2j9pA1 LEU 438 HD13 0.01 -0.01 -0.29 -0.04 0.93 0.60 2j9pA1 LEU 438 HD23 -0.01 0.03 -0.23 -0.04 0.89 0.63 2j9pA1 LEU 439 H -0.01 0.85 0.40 -0.55 8.37 9.07 2j9pA1 LEU 439 HA -0.00 0.28 1.21 -0.75 4.35 5.09 2j9pA1 LEU 439 HB2 -0.02 -0.08 0.17 -0.04 1.64 1.67 2j9pA1 LEU 439 HB3 -0.02 0.05 0.04 -0.04 1.64 1.67 2j9pA1 LEU 439 HG -0.03 -0.05 -0.31 -0.04 1.64 1.21 2j9pA1 LEU 439 HD13 -0.07 -0.04 -0.09 -0.04 0.93 0.69 2j9pA1 LEU 439 HD23 -0.05 0.04 -0.11 -0.04 0.89 0.73 2j9pA1 ASN 440 H 0.01 0.49 0.31 -0.55 8.53 8.80 2j9pA1 ASN 440 HA 0.02 0.18 1.05 -0.75 4.76 5.26 2j9pA1 ASN 440 HB2 0.02 0.02 0.08 -0.04 2.88 2.96 2j9pA1 ASN 440 HB3 0.03 -0.04 0.17 -0.04 2.79 2.91 2j9pA1 ASN 440 HD21 0.01 0.46 -0.03 -0.04 7.03 7.43 2j9pA1 ASN 440 HD22 0.01 0.13 -0.63 -0.04 7.74 7.20 2j9pA1 GLY 441 H 0.02 0.12 0.20 -0.55 8.43 8.23 2j9pA1 GLY 441 HA2 0.01 0.01 0.38 -0.51 4.01 3.90 2j9pA1 GLY 441 HA3 0.01 0.06 0.50 -0.51 4.01 4.08 2j9pA1 LEU 442 H 0.01 0.40 -0.19 -0.55 8.37 8.04 2j9pA1 LEU 442 HA 0.01 0.27 0.55 -0.75 4.35 4.42 2j9pA1 LEU 442 HB2 0.01 -0.12 -0.30 -0.04 1.64 1.19 2j9pA1 LEU 442 HB3 0.01 -0.09 -0.19 -0.04 1.64 1.33 2j9pA1 LEU 442 HG 0.00 0.11 -0.31 -0.04 1.64 1.40 2j9pA1 LEU 442 HD13 -0.01 -0.06 -0.17 -0.04 0.93 0.65 2j9pA1 LEU 442 HD23 -0.01 0.02 -0.20 -0.04 0.89 0.66 2j9pA1 ILE 443 H 0.01 0.24 0.16 -0.55 8.25 8.11 2j9pA1 ILE 443 HA 0.01 0.12 0.48 -0.75 4.18 4.03 2j9pA1 ILE 443 HB 0.01 -0.05 0.16 -0.04 1.89 1.96 2j9pA1 ILE 443 HG12 0.01 0.13 0.10 -0.04 1.49 1.69 2j9pA1 ILE 443 HG13 0.01 -0.00 0.07 -0.04 1.21 1.24 2j9pA1 ILE 443 HG23 0.01 -0.01 -0.05 -0.04 0.93 0.84 2j9pA1 ILE 443 HD13 0.01 0.01 0.00 -0.04 0.88 0.86 2j9pA1 ASP 444 H 0.01 0.16 -0.08 -0.55 8.40 7.94 2j9pA1 ASP 444 HA 0.00 0.12 0.77 -0.75 4.63 4.77 2j9pA1 ASP 444 HB2 0.01 0.14 -0.06 -0.04 2.71 2.76 2j9pA1 ASP 444 HB3 0.01 0.01 0.09 -0.04 2.70 2.77 2j9pA1 GLU 445 H -0.00 0.17 0.09 -0.55 8.60 8.32 2j9pA1 GLU 445 HA -0.00 0.10 0.19 -0.75 4.29 3.82 2j9pA1 GLU 445 HB2 -0.02 0.00 0.01 -0.04 2.09 2.04 2j9pA1 GLU 445 HB3 -0.01 0.32 -0.02 -0.04 1.99 2.23 2j9pA1 GLU 445 HG2 -0.01 1.01 0.45 -0.04 2.34 3.75 2j9pA1 GLU 445 HG3 0.01 -0.19 0.16 -0.04 2.34 2.27 2j9pA1 GLU 446 H -0.00 0.10 -0.26 -0.55 8.60 7.89 2j9pA1 GLU 446 HA -0.01 0.09 0.39 -0.75 4.29 4.00 2j9pA1 GLU 446 HB2 0.00 0.00 -0.01 -0.04 2.09 2.05 2j9pA1 GLU 446 HB3 0.00 0.05 0.02 -0.04 1.99 2.02 2j9pA1 GLU 446 HG2 -0.01 -0.07 0.05 -0.04 2.34 2.26 2j9pA1 GLU 446 HG3 -0.00 0.05 0.02 -0.04 2.34 2.37 2j9pA1 ASP 447 H 0.01 0.41 -0.38 -0.55 8.40 7.88 2j9pA1 ASP 447 HA 0.04 0.04 0.37 -0.75 4.63 4.33 2j9pA1 ASP 447 HB2 0.02 0.08 0.04 -0.04 2.71 2.81 2j9pA1 ASP 447 HB3 0.08 -0.05 0.04 -0.04 2.70 2.73 2j9pA1 GLY 448 H -0.01 0.44 -0.26 -0.55 8.43 8.05 2j9pA1 GLY 448 HA2 -0.07 0.03 0.29 -0.51 4.01 3.75 2j9pA1 GLY 448 HA3 -0.03 0.11 0.25 -0.51 4.01 3.82 2j9pA1 LYS 449 H -0.02 0.30 -0.19 -0.55 8.42 7.96 2j9pA1 LYS 449 HA -0.02 0.00 0.32 -0.75 4.32 3.87 2j9pA1 LYS 449 HB2 -0.01 0.11 0.08 -0.04 1.87 2.02 2j9pA1 LYS 449 HB3 -0.01 -0.02 0.04 -0.04 1.79 1.76 2j9pA1 LYS 449 HG2 -0.02 0.01 0.07 -0.04 1.46 1.47 2j9pA1 LYS 449 HG3 -0.02 0.01 0.11 -0.04 1.46 1.53 2j9pA1 LYS 449 HD2 -0.01 0.01 0.06 -0.04 1.69 1.71 2j9pA1 LYS 449 HD3 -0.02 0.02 0.03 -0.04 1.68 1.68 2j9pA1 LYS 449 HE2 -0.03 0.04 0.03 -0.04 2.99 2.99 2j9pA1 LYS 449 HE3 -0.02 -0.07 0.01 -0.04 2.99 2.87 2j9pA1 ASP 450 H -0.00 0.32 -0.31 -0.55 8.40 7.86 2j9pA1 ASP 450 HA 0.01 0.02 0.42 -0.75 4.63 4.32 2j9pA1 ASP 450 HB2 0.10 0.12 0.15 -0.04 2.71 3.03 2j9pA1 ASP 450 HB3 0.10 -0.02 0.04 -0.04 2.70 2.78 2j9pA1 ILE 451 H -0.13 0.32 -0.12 -0.55 8.25 7.77 2j9pA1 ILE 451 HA -0.20 0.01 0.34 -0.75 4.18 3.58 2j9pA1 ILE 451 HB -0.17 0.11 0.09 -0.04 1.89 1.88 2j9pA1 ILE 451 HG12 -1.32 0.00 0.01 -0.04 1.49 0.14 2j9pA1 ILE 451 HG13 -0.39 0.12 0.11 -0.04 1.21 1.01 2j9pA1 ILE 451 HG23 -0.22 0.00 -0.14 -0.04 0.93 0.53 2j9pA1 ILE 451 HD13 -0.25 -0.04 -0.13 -0.04 0.88 0.42 2j9pA1 GLU 452 H -0.06 0.63 -0.10 -0.55 8.60 8.52 2j9pA1 GLU 452 HA -0.05 0.01 0.34 -0.75 4.29 3.84 2j9pA1 GLU 452 HB2 -0.01 0.04 0.06 -0.04 2.09 2.14 2j9pA1 GLU 452 HB3 0.03 -0.02 -0.09 -0.04 1.99 1.87 2j9pA1 GLU 452 HG2 0.04 -0.01 -0.08 -0.04 2.34 2.24 2j9pA1 GLU 452 HG3 -0.02 -0.00 -0.12 -0.04 2.34 2.15 2j9pA1 ASP 453 H -0.03 0.62 -0.10 -0.55 8.40 8.35 2j9pA1 ASP 453 HA -0.03 -0.03 0.29 -0.75 4.63 4.11 2j9pA1 ASP 453 HB2 -0.02 0.20 0.18 -0.04 2.71 3.03 2j9pA1 ASP 453 HB3 -0.02 -0.09 0.01 -0.04 2.70 2.56 2j9pA1 GLN 454 H -0.05 0.54 -0.22 -0.55 8.47 8.20 2j9pA1 GLN 454 HA -0.04 -0.00 0.41 -0.75 4.36 3.97 2j9pA1 GLN 454 HB2 -0.05 0.11 0.13 -0.04 2.15 2.30 2j9pA1 GLN 454 HB3 -0.03 -0.04 0.01 -0.04 2.02 1.92 2j9pA1 GLN 454 HG2 -0.00 -0.07 0.03 -0.04 2.40 2.31 2j9pA1 GLN 454 HG3 0.00 0.36 0.05 -0.04 2.39 2.76 2j9pA1 GLN 454 HE21 0.19 -0.03 -0.02 -0.04 6.97 7.07 2j9pA1 GLN 454 HE22 0.18 -0.00 -0.16 -0.04 7.69 7.66 2j9pA1 ILE 455 H -0.11 0.55 -0.09 -0.55 8.25 8.06 2j9pA1 ILE 455 HA -0.16 -0.01 0.36 -0.75 4.18 3.62 2j9pA1 ILE 455 HB -0.16 0.16 0.12 -0.04 1.89 1.96 2j9pA1 ILE 455 HG12 -0.17 -0.07 -0.01 -0.04 1.49 1.19 2j9pA1 ILE 455 HG13 -0.12 0.08 0.05 -0.04 1.21 1.17 2j9pA1 ILE 455 HG23 -0.26 -0.03 -0.22 -0.04 0.93 0.38 2j9pA1 ILE 455 HD13 -0.10 -0.02 -0.13 -0.04 0.88 0.58 2j9pA1 ALA 456 H -0.17 0.79 -0.14 -0.55 8.40 8.34 2j9pA1 ALA 456 HA -0.47 -0.01 0.26 -0.75 4.34 3.37 2j9pA1 ALA 456 HB3 -0.10 0.03 -0.02 -0.04 1.41 1.28 2j9pA1 VAL 457 H -0.09 0.69 -0.18 -0.55 8.24 8.10 2j9pA1 VAL 457 HA -0.05 -0.04 0.35 -0.75 4.13 3.63 2j9pA1 VAL 457 HB -0.05 0.17 0.16 -0.04 2.12 2.35 2j9pA1 VAL 457 HG13 -0.03 -0.02 -0.13 -0.04 0.97 0.74 2j9pA1 VAL 457 HG23 -0.03 -0.00 0.02 -0.04 0.95 0.89 2j9pA1 ILE 458 H -0.10 0.63 -0.12 -0.55 8.25 8.10 2j9pA1 ILE 458 HA -0.07 -0.03 0.32 -0.75 4.18 3.65 2j9pA1 ILE 458 HB -0.14 0.18 0.14 -0.04 1.89 2.03 2j9pA1 ILE 458 HG12 -0.09 0.48 0.02 -0.04 1.49 1.86 2j9pA1 ILE 458 HG13 -0.11 -0.08 -0.16 -0.04 1.21 0.82 2j9pA1 ILE 458 HG23 -0.10 -0.03 -0.16 -0.04 0.93 0.60 2j9pA1 ILE 458 HD13 -0.06 -0.04 -0.05 -0.04 0.88 0.70 2j9pA1 LEU 459 H -0.16 0.61 -0.33 -0.55 8.37 7.94 2j9pA1 LEU 459 HA -0.08 -0.08 0.27 -0.75 4.35 3.70 2j9pA1 LEU 459 HB2 -0.21 0.25 0.06 -0.04 1.64 1.70 2j9pA1 LEU 459 HB3 -0.11 -0.08 -0.11 -0.04 1.64 1.30 2j9pA1 LEU 459 HG -0.31 0.41 -0.04 -0.04 1.64 1.66 2j9pA1 LEU 459 HD13 -0.70 -0.03 -0.20 -0.04 0.93 -0.04 2j9pA1 LEU 459 HD23 -0.13 -0.05 -0.12 -0.04 0.89 0.54 2j9pA1 ALA 460 H -0.08 0.46 -0.13 -0.55 8.40 8.11 2j9pA1 ALA 460 HA -0.01 0.19 0.28 -0.75 4.34 4.06 2j9pA1 ALA 460 HB3 -0.02 0.02 -0.13 -0.04 1.41 1.23 2j9pA1 ASN 461 H -0.04 0.50 -0.40 -0.55 8.53 8.05 2j9pA1 ASN 461 HA -0.01 0.02 0.41 -0.75 4.76 4.43 2j9pA1 ASN 461 HB2 -0.03 0.19 0.10 -0.04 2.88 3.10 2j9pA1 ASN 461 HB3 -0.02 -0.10 -0.01 -0.04 2.79 2.61 2j9pA1 ASN 461 HD21 -0.02 -0.12 -0.09 -0.04 7.03 6.76 2j9pA1 ASN 461 HD22 -0.04 0.08 -0.16 -0.04 7.74 7.59 2j9pA1 GLN 462 H -0.02 0.42 -0.31 -0.55 8.47 8.01 2j9pA1 GLN 462 HA -0.01 -0.08 0.16 -0.75 4.36 3.67 2j9pA1 GLN 462 HB2 -0.01 0.51 0.12 -0.04 2.15 2.72 2j9pA1 GLN 462 HB3 0.00 -0.10 0.01 -0.04 2.02 1.89 2j9pA1 GLN 462 HG2 -0.01 -0.06 -0.02 -0.04 2.40 2.27 2j9pA1 GLN 462 HG3 -0.00 -0.10 0.00 -0.04 2.39 2.25 2j9pA1 GLN 462 HE21 -0.02 -0.06 -0.09 -0.04 6.97 6.76 2j9pA1 GLN 462 HE22 -0.01 -0.07 -0.01 -0.04 7.69 7.56