============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. PHE 3 1.000 5.175 2.519 -4.626 -99.200 -91.000 TYR 4 0.840 0.205 8.445 -3.674 -99.200 -91.000 TRP 8 1.040 10.475 -0.752 -5.560 -99.200 -91.000 TRP6 8 1.020 11.420 1.081 -6.734 -99.200 -91.000 TYR 17 0.840 6.065 -22.765 -6.154 -99.200 -91.000 HIS 22 0.900 15.225 -25.523 -5.663 -99.200 -91.000 PHE 26 1.000 18.914 -31.791 1.846 -99.200 -91.000 PHE 34 1.000 5.543 -26.409 12.388 -99.200 -91.000 TYR 41 0.840 12.917 -14.892 9.329 -99.200 -91.000 HIS 43 0.900 11.811 -11.577 2.591 -99.200 -91.000 TYR 45 0.840 3.411 -10.275 10.089 -99.200 -91.000 PHE 64 1.000 3.785 -10.188 18.323 -99.200 -91.000 PHE 104 1.000 7.599 -21.951 28.483 -99.200 -91.000 TRP 108 1.040 0.310 -19.689 29.333 -99.200 -91.000 TRP6 108 1.020 -1.548 -20.862 28.449 -99.200 -91.000 TRP 116 1.040 -11.693 -22.958 28.476 -99.200 -91.000 TRP6 116 1.020 -13.162 -24.665 29.195 -99.200 -91.000 TYR 124 0.840 -0.575 -28.537 25.370 -99.200 -91.000 HIS 125 0.900 2.912 -27.651 18.208 -99.200 -91.000 PHE 128 1.000 10.324 -31.550 26.820 -99.200 -91.000 PHE 146 1.000 3.305 -28.112 30.638 -99.200 -91.000 PHE 155 1.000 -8.915 -25.098 29.647 -99.200 -91.000 TYR 162 0.840 8.611 -25.597 19.975 -99.200 -91.000 HIS 164 0.900 15.448 -22.456 17.435 -99.200 -91.000 PHE 165 1.000 18.716 -28.993 17.358 -99.200 -91.000 TYR 175 0.840 25.290 -25.488 23.576 -99.200 -91.000 PHE 176 1.000 22.793 -30.750 15.882 -99.200 -91.000 TYR 180 0.840 19.640 -36.401 18.338 -99.200 -91.000 PHE 183 1.000 13.403 -32.849 21.472 -99.200 -91.000 TRP 189 1.040 13.660 -36.871 31.649 -99.200 -91.000 TRP6 189 1.020 14.387 -34.628 31.635 -99.200 -91.000 PHE 193 1.000 7.578 -37.823 34.133 -99.200 -91.000 PHE 199 1.000 3.851 -32.042 13.595 -99.200 -91.000 HIS 201 0.900 7.636 -28.448 15.980 -99.200 -91.000 PHE 211 1.000 24.001 -30.549 11.919 -99.200 -91.000 PHE 216 1.000 13.449 -35.704 16.077 -99.200 -91.000 TYR 226 0.840 11.622 -15.284 4.938 -99.200 -91.000 PHE 237 1.000 31.482 -26.846 4.807 -99.200 -91.000 PHE 240 1.000 18.369 -26.569 -1.455 -99.200 -91.000 HIS 249 0.900 15.700 -2.558 -6.188 -99.200 -91.000 HIS 254 0.900 18.854 18.359 -5.824 -99.200 -91.000 TYR 266 0.840 20.490 16.571 10.960 -99.200 -91.000 TYR 270 0.840 31.944 13.391 1.839 -99.200 -91.000 TRP 277 1.040 28.831 15.352 -11.056 -99.200 -91.000 TRP6 277 1.020 27.064 16.794 -11.690 -99.200 -91.000 TYR 285 0.840 17.434 8.342 11.926 -99.200 -91.000 TRP 289 1.040 20.462 2.540 4.385 -99.200 -91.000 TRP6 289 1.020 20.874 0.453 3.298 -99.200 -91.000 PHE 296 1.000 26.702 -1.443 2.155 -99.200 -91.000 PHE 316 1.000 21.169 6.347 1.572 -99.200 -91.000 HIS 319 0.900 32.289 11.413 -4.479 -99.200 -91.000 TYR 340 0.840 22.573 -10.143 -4.685 -99.200 -91.000 TYR 349 0.840 29.990 -0.179 6.193 -99.200 -91.000 TYR 355 0.840 18.695 -15.307 10.815 -99.200 -91.000 PHE 363 1.000 4.506 1.585 10.156 -99.200 -91.000 PHE 369 1.000 4.545 -8.735 -1.601 -99.200 -91.000 TYR 381 0.840 2.400 -4.152 6.113 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3ha1A1 ALA 4 HA 0.02 -0.01 0.24 -0.75 4.34 3.83 3ha1A1 ALA 4 HB3 0.04 -0.04 0.05 -0.04 1.41 1.42 3ha1A1 PRO 5 HA -0.24 0.12 0.31 -0.51 4.44 4.12 3ha1A1 PRO 5 HB2 -0.63 -0.00 -0.03 -0.04 2.28 1.57 3ha1A1 PRO 5 HB3 -0.13 0.02 0.04 -0.04 2.02 1.90 3ha1A1 PRO 5 HG2 0.09 -0.01 0.04 -0.04 2.03 2.11 3ha1A1 PRO 5 HG3 0.09 0.02 0.06 -0.04 2.03 2.16 3ha1A1 PRO 5 HD2 0.04 0.06 0.16 -0.04 3.68 3.90 3ha1A1 PRO 5 HD3 0.02 0.13 0.18 -0.04 3.65 3.94 3ha1A1 PHE 6 H -0.75 0.29 0.24 -0.55 8.34 7.58 3ha1A1 PHE 6 HA -0.28 0.07 0.32 -0.75 4.62 3.97 3ha1A1 PHE 6 HB2 -0.09 -0.04 0.24 -0.04 3.15 3.22 3ha1A1 PHE 6 HB3 -0.12 0.10 0.12 -0.04 3.06 3.11 3ha1A1 PHE 6 HD2 -0.11 0.10 -0.05 -0.04 7.28 7.18 3ha1A1 PHE 6 HE2 -0.20 -0.02 -0.04 -0.04 7.38 7.08 3ha1A1 PHE 6 HZ -0.61 -0.04 -0.07 -0.04 7.32 6.57 3ha1A1 TYR 7 H 0.14 0.15 0.14 -0.55 8.29 8.17 3ha1A1 TYR 7 HA -0.10 0.22 0.82 -0.75 4.56 4.75 3ha1A1 TYR 7 HB2 0.01 0.00 0.07 -0.04 3.06 3.10 3ha1A1 TYR 7 HB3 -0.02 0.00 0.17 -0.04 2.98 3.09 3ha1A1 TYR 7 HD2 -0.04 0.01 -0.06 -0.04 7.15 7.03 3ha1A1 TYR 7 HE2 -0.04 0.03 -0.07 -0.04 6.85 6.73 3ha1A1 ARG 8 H 0.24 0.26 0.09 -0.55 8.46 8.50 3ha1A1 ARG 8 HA 0.10 0.13 0.62 -0.75 4.34 4.43 3ha1A1 ARG 8 HB2 0.10 0.04 0.06 -0.04 1.90 2.05 3ha1A1 ARG 8 HB3 0.14 0.02 0.16 -0.04 1.80 2.08 3ha1A1 ARG 8 HG2 0.09 -0.02 -0.17 -0.04 1.67 1.53 3ha1A1 ARG 8 HG3 0.05 -0.05 0.11 -0.04 1.67 1.74 3ha1A1 ARG 8 HD2 0.01 0.28 0.11 -0.04 3.22 3.59 3ha1A1 ARG 8 HD3 0.03 -0.07 0.04 -0.04 3.22 3.18 3ha1A1 ASP 9 H 0.12 0.13 0.06 -0.55 8.40 8.16 3ha1A1 ASP 9 HA 0.35 0.20 0.46 -0.75 4.63 4.88 3ha1A1 ASP 9 HB2 0.14 -0.05 0.18 -0.04 2.71 2.94 3ha1A1 ASP 9 HB3 0.30 0.01 0.14 -0.04 2.70 3.11 3ha1A1 THR 10 H 0.33 0.64 -0.04 -0.55 8.28 8.67 3ha1A1 THR 10 HA 0.04 0.21 0.93 -0.75 4.39 4.81 3ha1A1 THR 10 HB 0.06 -0.03 0.11 -0.04 4.32 4.42 3ha1A1 THR 10 HG23 -0.07 -0.01 -0.02 -0.04 1.22 1.08 3ha1A1 TRP 11 H -0.30 0.64 0.35 -0.55 7.97 8.11 3ha1A1 TRP 11 HA -0.22 0.18 0.62 -0.75 4.62 4.44 3ha1A1 TRP 11 HB2 -0.38 0.10 0.09 -0.04 3.23 3.00 3ha1A1 TRP 11 HB3 -0.41 0.05 -0.15 -0.04 3.23 2.67 3ha1A1 TRP 11 HD1 -0.10 0.17 -0.43 -0.04 7.22 6.81 3ha1A1 TRP 11 HE1 -0.05 -0.03 -0.14 -0.04 10.20 9.93 3ha1A1 TRP 11 HE3 0.05 -0.08 -0.61 -0.04 7.59 6.91 3ha1A1 TRP 11 HZ2 -0.16 -0.02 -0.10 -0.04 7.44 7.13 3ha1A1 TRP 11 HZ3 0.03 0.04 -0.27 -0.04 7.13 6.89 3ha1A1 TRP 11 HH2 -0.04 -0.01 -0.13 -0.04 7.19 6.97 3ha1A1 VAL 12 H -0.03 0.77 0.37 -0.55 8.24 8.80 3ha1A1 VAL 12 HA -0.19 0.19 1.13 -0.75 4.13 4.51 3ha1A1 VAL 12 HB -0.12 0.05 0.20 -0.04 2.12 2.21 3ha1A1 VAL 12 HG13 -0.18 0.00 -0.14 -0.04 0.97 0.61 3ha1A1 VAL 12 HG23 -0.10 -0.00 -0.01 -0.04 0.95 0.79 3ha1A1 GLU 13 H -0.07 0.67 0.36 -0.55 8.60 9.00 3ha1A1 GLU 13 HA 0.04 0.30 1.17 -0.75 4.29 5.05 3ha1A1 GLU 13 HB2 0.30 -0.02 -0.02 -0.04 2.09 2.31 3ha1A1 GLU 13 HB3 0.15 -0.09 0.17 -0.04 1.99 2.18 3ha1A1 GLU 13 HG2 0.10 -0.02 -0.16 -0.04 2.34 2.22 3ha1A1 GLU 13 HG3 0.15 0.06 0.02 -0.04 2.34 2.53 3ha1A1 VAL 14 H -0.20 0.78 0.38 -0.55 8.24 8.65 3ha1A1 VAL 14 HA 0.03 0.30 1.03 -0.75 4.13 4.74 3ha1A1 VAL 14 HB -0.41 -0.05 0.11 -0.04 2.12 1.74 3ha1A1 VAL 14 HG13 0.36 -0.03 -0.19 -0.04 0.97 1.07 3ha1A1 VAL 14 HG23 -0.11 0.05 -0.08 -0.04 0.95 0.76 3ha1A1 ASP 15 H 0.12 0.80 0.33 -0.55 8.40 9.11 3ha1A1 ASP 15 HA 0.09 0.09 0.89 -0.75 4.63 4.94 3ha1A1 ASP 15 HB2 0.09 0.08 0.11 -0.04 2.71 2.95 3ha1A1 ASP 15 HB3 0.10 0.07 0.34 -0.04 2.70 3.17 3ha1A1 LEU 16 H 0.14 0.64 0.36 -0.55 8.37 8.96 3ha1A1 LEU 16 HA 0.14 0.07 0.53 -0.75 4.35 4.34 3ha1A1 LEU 16 HB2 0.09 0.06 0.12 -0.04 1.64 1.87 3ha1A1 LEU 16 HB3 0.09 0.01 0.06 -0.04 1.64 1.75 3ha1A1 LEU 16 HG 0.30 0.03 -0.00 -0.04 1.64 1.93 3ha1A1 LEU 16 HD13 0.08 0.00 -0.10 -0.04 0.93 0.87 3ha1A1 LEU 16 HD23 0.20 0.01 -0.12 -0.04 0.89 0.94 3ha1A1 ASP 17 H 0.05 0.15 -0.05 -0.55 8.40 8.01 3ha1A1 ASP 17 HA -0.00 0.12 0.51 -0.75 4.63 4.50 3ha1A1 ASP 17 HB2 0.03 0.00 0.06 -0.04 2.71 2.76 3ha1A1 ASP 17 HB3 0.01 0.09 -0.01 -0.04 2.70 2.75 3ha1A1 ALA 18 H 0.07 0.15 -0.27 -0.55 8.40 7.80 3ha1A1 ALA 18 HA 0.04 0.02 0.32 -0.75 4.34 3.97 3ha1A1 ALA 18 HB3 0.07 0.09 -0.03 -0.04 1.41 1.51 3ha1A1 ILE 19 H 0.07 0.26 -0.11 -0.55 8.25 7.93 3ha1A1 ILE 19 HA -0.05 0.28 0.46 -0.75 4.18 4.11 3ha1A1 ILE 19 HB 0.06 0.04 0.11 -0.04 1.89 2.06 3ha1A1 ILE 19 HG12 -0.10 0.05 -0.01 -0.04 1.49 1.39 3ha1A1 ILE 19 HG13 0.08 -0.01 0.08 -0.04 1.21 1.32 3ha1A1 ILE 19 HG23 -0.09 -0.00 -0.15 -0.04 0.93 0.64 3ha1A1 ILE 19 HD13 0.16 -0.03 -0.07 -0.04 0.88 0.90 3ha1A1 TYR 20 H 0.14 0.43 -0.23 -0.55 8.29 8.08 3ha1A1 TYR 20 HA -0.06 0.06 0.43 -0.75 4.56 4.24 3ha1A1 TYR 20 HB2 -0.02 0.03 0.14 -0.04 3.06 3.16 3ha1A1 TYR 20 HB3 -0.04 0.07 0.20 -0.04 2.98 3.17 3ha1A1 TYR 20 HD2 -0.05 0.02 -0.13 -0.04 7.15 6.95 3ha1A1 TYR 20 HE2 -0.03 0.02 -0.15 -0.04 6.85 6.65 3ha1A1 ASN 21 H 0.07 0.58 -0.11 -0.55 8.53 8.52 3ha1A1 ASN 21 HA -0.21 0.02 0.44 -0.75 4.76 4.25 3ha1A1 ASN 21 HB2 -0.05 0.07 0.15 -0.04 2.88 3.01 3ha1A1 ASN 21 HB3 -0.27 -0.04 0.03 -0.04 2.79 2.47 3ha1A1 ASN 21 HD21 0.02 -0.10 -0.07 -0.04 7.03 6.84 3ha1A1 ASN 21 HD22 0.02 -0.03 -0.08 -0.04 7.74 7.62 3ha1A1 ASN 22 H -0.07 0.66 -0.01 -0.55 8.53 8.56 3ha1A1 ASN 22 HA 0.05 -0.01 0.49 -0.75 4.76 4.54 3ha1A1 ASN 22 HB2 -0.06 0.16 0.25 -0.04 2.88 3.19 3ha1A1 ASN 22 HB3 0.02 -0.01 0.08 -0.04 2.79 2.84 3ha1A1 ASN 22 HD21 0.03 0.41 -0.08 -0.04 7.03 7.35 3ha1A1 ASN 22 HD22 -0.03 0.33 -0.20 -0.04 7.74 7.80 3ha1A1 VAL 23 H -0.13 0.52 -0.19 -0.55 8.24 7.88 3ha1A1 VAL 23 HA -0.07 -0.08 0.26 -0.75 4.13 3.48 3ha1A1 VAL 23 HB -0.21 0.14 0.20 -0.04 2.12 2.21 3ha1A1 VAL 23 HG13 -0.13 0.04 -0.13 -0.04 0.97 0.71 3ha1A1 VAL 23 HG23 -0.13 -0.01 0.05 -0.04 0.95 0.82 3ha1A1 THR 24 H -0.28 0.56 -0.08 -0.55 8.28 7.93 3ha1A1 THR 24 HA -0.18 0.12 0.34 -0.75 4.39 3.92 3ha1A1 THR 24 HB -0.30 0.01 0.21 -0.04 4.32 4.20 3ha1A1 THR 24 HG23 -0.05 -0.03 -0.02 -0.04 1.22 1.08 3ha1A1 HIS 25 H -0.30 0.56 -0.19 -0.55 8.41 7.94 3ha1A1 HIS 25 HA -0.32 -0.01 0.30 -0.75 4.63 3.84 3ha1A1 HIS 25 HB2 -0.41 0.08 0.14 -0.04 3.26 3.03 3ha1A1 HIS 25 HB3 -1.68 -0.07 -0.06 -0.04 3.20 1.35 3ha1A1 HIS 25 HD2 -0.18 -0.03 -0.09 -0.04 6.97 6.63 3ha1A1 HIS 25 HE1 -0.02 -0.07 -0.04 -0.04 7.75 7.58 3ha1A1 ILE 26 H 0.03 0.58 -0.03 -0.55 8.25 8.28 3ha1A1 ILE 26 HA 0.29 -0.02 0.56 -0.75 4.18 4.25 3ha1A1 ILE 26 HB 0.07 0.14 0.08 -0.04 1.89 2.13 3ha1A1 ILE 26 HG12 0.27 -0.08 -0.05 -0.04 1.49 1.58 3ha1A1 ILE 26 HG13 0.35 0.11 0.03 -0.04 1.21 1.66 3ha1A1 ILE 26 HG23 0.15 -0.03 -0.21 -0.04 0.93 0.79 3ha1A1 ILE 26 HD13 0.06 -0.06 -0.25 -0.04 0.88 0.59 3ha1A1 LYS 27 H -0.01 0.73 -0.09 -0.55 8.42 8.50 3ha1A1 LYS 27 HA 0.04 -0.01 0.35 -0.75 4.32 3.94 3ha1A1 LYS 27 HB2 -0.03 -0.05 0.03 -0.04 1.87 1.78 3ha1A1 LYS 27 HB3 -0.05 0.10 0.15 -0.04 1.79 1.95 3ha1A1 LYS 27 HG2 -0.01 -0.01 -0.16 -0.04 1.46 1.24 3ha1A1 LYS 27 HG3 -0.01 -0.01 0.01 -0.04 1.46 1.41 3ha1A1 LYS 27 HD2 -0.07 0.13 0.05 -0.04 1.69 1.76 3ha1A1 LYS 27 HD3 -0.04 -0.08 -0.02 -0.04 1.68 1.50 3ha1A1 LYS 27 HE2 -0.02 -0.00 0.03 -0.04 2.99 2.96 3ha1A1 LYS 27 HE3 -0.05 0.07 0.12 -0.04 2.99 3.09 3ha1A1 GLU 28 H -0.01 0.63 -0.08 -0.55 8.60 8.60 3ha1A1 GLU 28 HA 0.00 -0.01 0.50 -0.75 4.29 4.03 3ha1A1 GLU 28 HB2 -0.03 0.07 0.10 -0.04 2.09 2.20 3ha1A1 GLU 28 HB3 -0.00 -0.12 0.03 -0.04 1.99 1.87 3ha1A1 GLU 28 HG2 -0.00 -0.08 0.02 -0.04 2.34 2.24 3ha1A1 GLU 28 HG3 -0.01 0.38 0.08 -0.04 2.34 2.75 3ha1A1 PHE 29 H 0.17 0.41 -0.22 -0.55 8.34 8.14 3ha1A1 PHE 29 HA 0.02 -0.05 0.39 -0.75 4.62 4.24 3ha1A1 PHE 29 HB2 0.11 -0.04 0.06 -0.04 3.15 3.24 3ha1A1 PHE 29 HB3 0.16 0.04 0.16 -0.04 3.06 3.38 3ha1A1 PHE 29 HD2 0.13 -0.01 -0.09 -0.04 7.28 7.26 3ha1A1 PHE 29 HE2 0.05 0.08 -0.00 -0.04 7.38 7.46 3ha1A1 PHE 29 HZ 0.01 0.02 -0.07 -0.04 7.32 7.24 3ha1A1 ILE 30 H 0.12 0.47 -0.13 -0.55 8.25 8.16 3ha1A1 ILE 30 HA -0.15 0.03 0.64 -0.75 4.18 3.94 3ha1A1 ILE 30 HB 0.05 -0.10 0.06 -0.04 1.89 1.86 3ha1A1 ILE 30 HG12 0.09 0.21 0.02 -0.04 1.49 1.77 3ha1A1 ILE 30 HG13 0.04 0.21 -0.24 -0.04 1.21 1.18 3ha1A1 ILE 30 HG23 0.22 -0.02 -0.08 -0.04 0.93 1.01 3ha1A1 ILE 30 HD13 0.09 -0.07 -0.21 -0.04 0.88 0.65 3ha1A1 PRO 31 HA -0.04 0.07 0.38 -0.51 4.44 4.34 3ha1A1 PRO 31 HB2 -0.00 -0.01 0.01 -0.04 2.28 2.23 3ha1A1 PRO 31 HB3 -0.02 -0.03 0.10 -0.04 2.02 2.03 3ha1A1 PRO 31 HG2 -0.03 -0.06 0.07 -0.04 2.03 1.97 3ha1A1 PRO 31 HG3 -0.06 0.05 0.08 -0.04 2.03 2.06 3ha1A1 PRO 31 HD2 -0.00 0.04 0.16 -0.04 3.68 3.84 3ha1A1 PRO 31 HD3 -0.09 0.16 0.20 -0.04 3.65 3.88 3ha1A1 SER 32 H -0.01 0.06 0.18 -0.55 8.46 8.14 3ha1A1 SER 32 HA 0.00 0.27 0.34 -0.75 4.49 4.35 3ha1A1 SER 32 HB2 -0.00 0.01 0.10 -0.04 3.95 4.02 3ha1A1 SER 32 HB3 -0.01 0.05 0.13 -0.04 3.93 4.07 3ha1A1 ASP 33 H 0.01 -0.04 -0.33 -0.55 8.40 7.50 3ha1A1 ASP 33 HA 0.03 0.22 0.81 -0.75 4.63 4.94 3ha1A1 ASP 33 HB2 0.03 0.01 0.16 -0.04 2.71 2.88 3ha1A1 ASP 33 HB3 0.02 -0.04 0.03 -0.04 2.70 2.66 3ha1A1 VAL 34 H 0.03 0.47 -0.45 -0.55 8.24 7.74 3ha1A1 VAL 34 HA 0.07 0.22 0.83 -0.75 4.13 4.49 3ha1A1 VAL 34 HB 0.05 0.20 -0.00 -0.04 2.12 2.32 3ha1A1 VAL 34 HG13 0.09 -0.03 -0.36 -0.04 0.97 0.63 3ha1A1 VAL 34 HG23 0.04 -0.03 -0.22 -0.04 0.95 0.70 3ha1A1 GLU 35 H 0.09 0.54 0.29 -0.55 8.60 8.97 3ha1A1 GLU 35 HA 0.03 0.18 0.56 -0.75 4.29 4.31 3ha1A1 GLU 35 HB2 0.15 0.05 0.18 -0.04 2.09 2.43 3ha1A1 GLU 35 HB3 -0.03 -0.09 0.01 -0.04 1.99 1.85 3ha1A1 GLU 35 HG2 0.01 0.04 0.01 -0.04 2.34 2.36 3ha1A1 GLU 35 HG3 0.10 0.08 -0.03 -0.04 2.34 2.44 3ha1A1 ILE 36 H -0.01 0.20 0.25 -0.55 8.25 8.14 3ha1A1 ILE 36 HA 0.11 0.23 0.98 -0.75 4.18 4.75 3ha1A1 ILE 36 HB -0.00 -0.01 0.15 -0.04 1.89 1.98 3ha1A1 ILE 36 HG12 0.07 -0.06 -0.14 -0.04 1.49 1.33 3ha1A1 ILE 36 HG13 0.04 0.09 -0.30 -0.04 1.21 1.01 3ha1A1 ILE 36 HG23 0.04 -0.05 -0.35 -0.04 0.93 0.53 3ha1A1 ILE 36 HD13 0.01 0.02 -0.16 -0.04 0.88 0.71 3ha1A1 PHE 37 H 0.38 0.65 0.22 -0.55 8.34 9.04 3ha1A1 PHE 37 HA -0.01 0.23 0.66 -0.75 4.62 4.74 3ha1A1 PHE 37 HB2 -0.02 -0.15 0.05 -0.04 3.15 2.99 3ha1A1 PHE 37 HB3 -0.03 -0.03 -0.41 -0.04 3.06 2.54 3ha1A1 PHE 37 HD2 -0.07 0.13 -0.35 -0.04 7.28 6.95 3ha1A1 PHE 37 HE2 -0.27 0.01 -0.25 -0.04 7.38 6.83 3ha1A1 PHE 37 HZ -0.03 0.03 -0.24 -0.04 7.32 7.04 3ha1A1 ALA 38 H 0.06 0.66 0.18 -0.55 8.40 8.75 3ha1A1 ALA 38 HA 0.00 0.16 0.89 -0.75 4.34 4.64 3ha1A1 ALA 38 HB3 -0.03 0.02 0.03 -0.04 1.41 1.40 3ha1A1 VAL 39 H 0.00 0.71 0.18 -0.55 8.24 8.58 3ha1A1 VAL 39 HA 0.10 0.08 0.52 -0.75 4.13 4.07 3ha1A1 VAL 39 HB 0.10 -0.06 -0.09 -0.04 2.12 2.03 3ha1A1 VAL 39 HG13 0.21 -0.03 -0.21 -0.04 0.97 0.90 3ha1A1 VAL 39 HG23 0.06 0.03 -0.36 -0.04 0.95 0.63 3ha1A1 VAL 40 H 0.14 0.69 0.29 -0.55 8.24 8.82 3ha1A1 VAL 40 HA 0.25 0.25 0.83 -0.75 4.13 4.71 3ha1A1 VAL 40 HB 0.25 -0.14 0.12 -0.04 2.12 2.31 3ha1A1 VAL 40 HG13 0.13 0.05 -0.20 -0.04 0.97 0.91 3ha1A1 VAL 40 HG23 0.16 0.03 0.07 -0.04 0.95 1.17 3ha1A1 GLY 42 HA2 0.05 0.05 0.26 -0.51 4.01 3.86 3ha1A1 GLY 42 HA3 -0.02 -0.01 0.19 -0.51 4.01 3.66 3ha1A1 ASN 43 H -0.29 0.12 0.33 -0.55 8.53 8.15 3ha1A1 ASN 43 HA -2.01 -0.06 0.43 -0.75 4.76 2.36 3ha1A1 ASN 43 HB2 -0.17 0.01 -0.02 -0.04 2.88 2.66 3ha1A1 ASN 43 HB3 -0.10 0.24 0.03 -0.04 2.79 2.92 3ha1A1 ASN 43 HD21 0.32 0.07 -0.05 -0.04 7.03 7.33 3ha1A1 ASN 43 HD22 0.10 0.20 0.01 -0.04 7.74 8.01 3ha1A1 ALA 44 H -0.20 0.58 0.21 -0.55 8.40 8.44 3ha1A1 ALA 44 HA 0.21 0.00 0.21 -0.75 4.34 4.01 3ha1A1 ALA 44 HB3 0.19 0.00 -0.21 -0.04 1.41 1.36 3ha1A1 TYR 45 H 0.24 0.09 -0.57 -0.55 8.29 7.50 3ha1A1 TYR 45 HA -0.10 0.01 0.20 -0.75 4.56 3.92 3ha1A1 TYR 45 HB2 -1.40 0.13 -0.20 -0.04 3.06 1.55 3ha1A1 TYR 45 HB3 -0.38 -0.03 0.12 -0.04 2.98 2.65 3ha1A1 TYR 45 HD2 -0.10 -0.03 -0.13 -0.04 7.15 6.84 3ha1A1 TYR 45 HE2 0.14 -0.09 -0.07 -0.04 6.85 6.80 3ha1A1 GLY 46 H 0.01 0.36 -0.38 -0.55 8.43 7.86 3ha1A1 GLY 46 HA2 0.02 0.02 0.31 -0.51 4.01 3.85 3ha1A1 GLY 46 HA3 -0.01 0.33 0.30 -0.51 4.01 4.12 3ha1A1 HIS 47 H 0.20 0.56 -0.38 -0.55 8.41 8.25 3ha1A1 HIS 47 HA 0.06 0.12 0.57 -0.75 4.63 4.63 3ha1A1 HIS 47 HB2 0.22 0.11 0.02 -0.04 3.26 3.57 3ha1A1 HIS 47 HB3 0.24 -0.11 0.03 -0.04 3.20 3.30 3ha1A1 HIS 47 HD2 0.18 -0.06 -0.08 -0.04 6.97 6.96 3ha1A1 HIS 47 HE1 -0.07 -0.08 0.01 -0.04 7.75 7.56 3ha1A1 ASP 48 H 0.11 0.52 -0.17 -0.55 8.40 8.31 3ha1A1 ASP 48 HA 0.16 -0.06 0.26 -0.75 4.63 4.23 3ha1A1 ASP 48 HB2 0.48 0.34 0.47 -0.04 2.71 3.95 3ha1A1 ASP 48 HB3 0.24 -0.14 0.01 -0.04 2.70 2.76 3ha1A1 TYR 49 H -0.08 0.11 -0.01 -0.55 8.29 7.75 3ha1A1 TYR 49 HA 0.13 -0.00 0.29 -0.75 4.56 4.22 3ha1A1 TYR 49 HB2 0.11 0.01 0.08 -0.04 3.06 3.23 3ha1A1 TYR 49 HB3 0.06 0.08 -0.05 -0.04 2.98 3.03 3ha1A1 TYR 49 HD2 0.07 0.06 0.07 -0.04 7.15 7.32 3ha1A1 TYR 49 HE2 -0.05 0.05 -0.03 -0.04 6.85 6.78 3ha1A1 VAL 50 H 0.21 0.09 -0.25 -0.55 8.24 7.75 3ha1A1 VAL 50 HA 0.09 0.07 0.07 -0.75 4.13 3.61 3ha1A1 VAL 50 HB 0.05 0.02 0.05 -0.04 2.12 2.21 3ha1A1 VAL 50 HG13 0.01 0.02 -0.13 -0.04 0.97 0.83 3ha1A1 VAL 50 HG23 0.11 -0.00 -0.06 -0.04 0.95 0.95 3ha1A1 PRO 51 HA -0.11 0.09 0.48 -0.51 4.44 4.39 3ha1A1 PRO 51 HB2 -0.36 0.08 -0.03 -0.04 2.28 1.93 3ha1A1 PRO 51 HB3 -0.58 0.02 0.04 -0.04 2.02 1.47 3ha1A1 PRO 51 HG2 -1.04 0.12 0.02 -0.04 2.03 1.09 3ha1A1 PRO 51 HG3 -0.63 0.05 0.01 -0.04 2.03 1.41 3ha1A1 PRO 51 HD2 0.03 0.24 -0.16 -0.04 3.68 3.75 3ha1A1 PRO 51 HD3 -0.04 0.02 0.06 -0.04 3.65 3.64 3ha1A1 VAL 52 H 0.09 0.41 -0.32 -0.55 8.24 7.87 3ha1A1 VAL 52 HA 0.08 0.02 0.30 -0.75 4.13 3.77 3ha1A1 VAL 52 HB 0.16 0.11 -0.04 -0.04 2.12 2.30 3ha1A1 VAL 52 HG13 0.04 -0.01 -0.24 -0.04 0.97 0.71 3ha1A1 VAL 52 HG23 0.28 0.03 -0.13 -0.04 0.95 1.09 3ha1A1 ALA 53 H 0.09 0.49 -0.08 -0.55 8.40 8.35 3ha1A1 ALA 53 HA 0.03 -0.03 0.37 -0.75 4.34 3.96 3ha1A1 ALA 53 HB3 0.06 0.02 0.06 -0.04 1.41 1.52 3ha1A1 LYS 54 H 0.02 0.57 -0.23 -0.55 8.42 8.22 3ha1A1 LYS 54 HA 0.01 0.02 0.31 -0.75 4.32 3.91 3ha1A1 LYS 54 HB2 -0.01 0.06 0.16 -0.04 1.87 2.03 3ha1A1 LYS 54 HB3 0.00 -0.03 0.01 -0.04 1.79 1.73 3ha1A1 LYS 54 HG2 0.00 -0.02 -0.02 -0.04 1.46 1.39 3ha1A1 LYS 54 HG3 0.01 0.01 0.01 -0.04 1.46 1.45 3ha1A1 LYS 54 HD2 -0.02 -0.05 -0.12 -0.04 1.69 1.47 3ha1A1 LYS 54 HD3 -0.02 -0.03 -0.04 -0.04 1.68 1.56 3ha1A1 LYS 54 HE2 0.00 -0.03 -0.06 -0.04 2.99 2.86 3ha1A1 LYS 54 HE3 0.00 0.01 -0.07 -0.04 2.99 2.90 3ha1A1 ILE 55 H 0.02 0.64 -0.02 -0.55 8.25 8.34 3ha1A1 ILE 55 HA 0.08 0.02 0.43 -0.75 4.18 3.95 3ha1A1 ILE 55 HB 0.06 0.06 0.11 -0.04 1.89 2.07 3ha1A1 ILE 55 HG12 0.02 0.23 0.11 -0.04 1.49 1.82 3ha1A1 ILE 55 HG13 0.06 -0.11 0.02 -0.04 1.21 1.14 3ha1A1 ILE 55 HG23 0.16 0.00 -0.07 -0.04 0.93 0.98 3ha1A1 ILE 55 HD13 0.04 -0.02 -0.05 -0.04 0.88 0.81 3ha1A1 ALA 56 H -0.00 0.66 -0.15 -0.55 8.40 8.35 3ha1A1 ALA 56 HA -0.08 0.01 0.41 -0.75 4.34 3.93 3ha1A1 ALA 56 HB3 -0.05 0.00 0.02 -0.04 1.41 1.34 3ha1A1 LEU 57 H -0.01 0.58 -0.10 -0.55 8.37 8.30 3ha1A1 LEU 57 HA -0.03 0.27 0.62 -0.75 4.35 4.46 3ha1A1 LEU 57 HB2 -0.00 0.08 0.15 -0.04 1.64 1.83 3ha1A1 LEU 57 HB3 -0.01 -0.02 0.02 -0.04 1.64 1.58 3ha1A1 LEU 57 HG -0.01 0.13 0.02 -0.04 1.64 1.74 3ha1A1 LEU 57 HD13 -0.00 -0.05 -0.12 -0.04 0.93 0.72 3ha1A1 LEU 57 HD23 -0.03 -0.00 -0.29 -0.04 0.89 0.53 3ha1A1 GLU 58 H 0.02 0.54 -0.07 -0.55 8.60 8.55 3ha1A1 GLU 58 HA 0.04 0.01 0.37 -0.75 4.29 3.96 3ha1A1 GLU 58 HB2 0.11 0.07 0.21 -0.04 2.09 2.43 3ha1A1 GLU 58 HB3 0.25 -0.05 -0.07 -0.04 1.99 2.08 3ha1A1 GLU 58 HG2 0.07 -0.03 0.05 -0.04 2.34 2.38 3ha1A1 GLU 58 HG3 0.04 0.02 0.04 -0.04 2.34 2.39 3ha1A1 ALA 59 H -0.08 0.43 -0.27 -0.55 8.40 7.93 3ha1A1 ALA 59 HA -0.61 0.04 0.65 -0.75 4.34 3.66 3ha1A1 ALA 59 HB3 -0.65 -0.04 0.18 -0.04 1.41 0.87 3ha1A1 GLY 60 H -0.09 0.48 -0.46 -0.55 8.43 7.82 3ha1A1 GLY 60 HA2 -0.05 0.02 0.21 -0.51 4.01 3.68 3ha1A1 GLY 60 HA3 -0.08 0.09 0.61 -0.51 4.01 4.11 3ha1A1 ALA 61 H -0.08 0.43 0.04 -0.55 8.40 8.24 3ha1A1 ALA 61 HA -0.04 -0.04 0.72 -0.75 4.34 4.23 3ha1A1 ALA 61 HB3 -0.04 -0.03 -0.12 -0.04 1.41 1.18 3ha1A1 THR 62 H -0.08 0.20 0.34 -0.55 8.28 8.19 3ha1A1 THR 62 HA -0.06 0.23 0.94 -0.75 4.39 4.75 3ha1A1 THR 62 HB -0.09 -0.03 0.10 -0.04 4.32 4.25 3ha1A1 THR 62 HG23 -0.04 0.05 -0.03 -0.04 1.22 1.16 3ha1A1 ARG 63 H -0.13 0.32 0.30 -0.55 8.46 8.40 3ha1A1 ARG 63 HA -0.13 0.31 0.88 -0.75 4.34 4.64 3ha1A1 ARG 63 HB2 -0.90 -0.11 -0.11 -0.04 1.90 0.74 3ha1A1 ARG 63 HB3 -0.44 0.01 -0.03 -0.04 1.80 1.30 3ha1A1 ARG 63 HG2 -0.29 0.19 -0.34 -0.04 1.67 1.18 3ha1A1 ARG 63 HG3 -0.40 -0.08 -0.27 -0.04 1.67 0.88 3ha1A1 ARG 63 HD2 -1.06 -0.07 -0.19 -0.04 3.22 1.86 3ha1A1 ARG 63 HD3 -0.47 -0.00 -0.14 -0.04 3.22 2.57 3ha1A1 LEU 64 H 0.01 0.66 0.25 -0.55 8.37 8.75 3ha1A1 LEU 64 HA 0.10 0.21 0.94 -0.75 4.35 4.84 3ha1A1 LEU 64 HB2 0.05 0.03 0.05 -0.04 1.64 1.72 3ha1A1 LEU 64 HB3 0.07 -0.08 0.09 -0.04 1.64 1.67 3ha1A1 LEU 64 HG 0.01 0.02 -0.40 -0.04 1.64 1.23 3ha1A1 LEU 64 HD13 0.02 0.01 -0.16 -0.04 0.93 0.76 3ha1A1 LEU 64 HD23 0.03 0.01 -0.01 -0.04 0.89 0.88 3ha1A1 ALA 65 H 0.11 0.49 0.27 -0.55 8.40 8.72 3ha1A1 ALA 65 HA 0.04 0.30 0.81 -0.75 4.34 4.74 3ha1A1 ALA 65 HB3 -0.05 -0.02 -0.13 -0.04 1.41 1.17 3ha1A1 VAL 66 H 0.01 0.71 0.31 -0.55 8.24 8.71 3ha1A1 VAL 66 HA 0.07 0.04 0.72 -0.75 4.13 4.21 3ha1A1 VAL 66 HB -0.04 -0.10 0.03 -0.04 2.12 1.97 3ha1A1 VAL 66 HG13 0.04 0.02 -0.36 -0.04 0.97 0.64 3ha1A1 VAL 66 HG23 -0.05 0.01 -0.27 -0.04 0.95 0.60 3ha1A1 ALA 67 H 0.03 0.18 0.13 -0.55 8.40 8.20 3ha1A1 ALA 67 HA 0.08 0.02 0.47 -0.75 4.34 4.15 3ha1A1 ALA 67 HB3 0.18 0.03 0.10 -0.04 1.41 1.68 3ha1A1 PHE 68 H -0.23 0.14 0.01 -0.55 8.34 7.71 3ha1A1 PHE 68 HA 0.05 0.27 0.58 -0.75 4.62 4.77 3ha1A1 PHE 68 HB2 0.05 -0.04 0.14 -0.04 3.15 3.25 3ha1A1 PHE 68 HB3 0.04 0.21 -0.14 -0.04 3.06 3.13 3ha1A1 PHE 68 HD2 0.03 -0.06 -0.12 -0.04 7.28 7.08 3ha1A1 PHE 68 HE2 0.02 0.06 -0.02 -0.04 7.38 7.40 3ha1A1 PHE 68 HZ 0.03 0.08 -0.02 -0.04 7.32 7.36 3ha1A1 LEU 69 H 0.28 0.23 0.12 -0.55 8.37 8.46 3ha1A1 LEU 69 HA 0.05 0.12 0.06 -0.75 4.35 3.83 3ha1A1 LEU 69 HB2 0.14 0.07 0.05 -0.04 1.64 1.86 3ha1A1 LEU 69 HB3 0.15 -0.02 0.12 -0.04 1.64 1.85 3ha1A1 LEU 69 HG 0.07 0.00 -0.19 -0.04 1.64 1.48 3ha1A1 LEU 69 HD13 0.07 0.03 -0.10 -0.04 0.93 0.89 3ha1A1 LEU 69 HD23 0.11 0.00 -0.05 -0.04 0.89 0.91 3ha1A1 ASP 70 H 0.25 0.08 -0.15 -0.55 8.40 8.03 3ha1A1 ASP 70 HA 0.01 0.13 0.25 -0.75 4.63 4.27 3ha1A1 ASP 70 HB2 0.22 -0.05 0.02 -0.04 2.71 2.86 3ha1A1 ASP 70 HB3 0.06 0.08 0.00 -0.04 2.70 2.80 3ha1A1 GLU 71 H -0.61 0.12 -0.25 -0.55 8.60 7.30 3ha1A1 GLU 71 HA -0.63 0.06 0.46 -0.75 4.29 3.42 3ha1A1 GLU 71 HB2 -0.39 0.11 0.08 -0.04 2.09 1.85 3ha1A1 GLU 71 HB3 -0.29 0.00 0.01 -0.04 1.99 1.67 3ha1A1 GLU 71 HG2 -0.51 0.05 0.03 -0.04 2.34 1.87 3ha1A1 GLU 71 HG3 -1.56 -0.05 0.03 -0.04 2.34 0.72 3ha1A1 ALA 72 H -0.15 0.27 -0.28 -0.55 8.40 7.70 3ha1A1 ALA 72 HA -0.07 0.03 0.37 -0.75 4.34 3.93 3ha1A1 ALA 72 HB3 -0.01 0.05 -0.06 -0.04 1.41 1.34 3ha1A1 LEU 73 H -0.08 0.33 -0.25 -0.55 8.37 7.82 3ha1A1 LEU 73 HA -0.02 0.13 0.47 -0.75 4.35 4.18 3ha1A1 LEU 73 HB2 -0.03 0.04 0.08 -0.04 1.64 1.68 3ha1A1 LEU 73 HB3 -0.01 0.01 0.01 -0.04 1.64 1.61 3ha1A1 LEU 73 HG 0.00 0.15 -0.08 -0.04 1.64 1.67 3ha1A1 LEU 73 HD13 0.03 -0.03 -0.09 -0.04 0.93 0.80 3ha1A1 LEU 73 HD23 0.02 0.02 -0.13 -0.04 0.89 0.76 3ha1A1 VAL 74 H -0.16 0.40 -0.12 -0.55 8.24 7.81 3ha1A1 VAL 74 HA -0.06 0.05 0.49 -0.75 4.13 3.85 3ha1A1 VAL 74 HB -0.40 0.21 0.16 -0.04 2.12 2.05 3ha1A1 VAL 74 HG13 -0.06 -0.02 -0.18 -0.04 0.97 0.67 3ha1A1 VAL 74 HG23 -0.28 0.03 0.05 -0.04 0.95 0.71 3ha1A1 LEU 75 H -0.10 0.30 -0.27 -0.55 8.37 7.76 3ha1A1 LEU 75 HA 0.01 -0.01 0.43 -0.75 4.35 4.03 3ha1A1 LEU 75 HB2 -0.01 0.21 0.07 -0.04 1.64 1.86 3ha1A1 LEU 75 HB3 0.01 0.00 -0.06 -0.04 1.64 1.56 3ha1A1 LEU 75 HG -0.06 0.14 0.05 -0.04 1.64 1.73 3ha1A1 LEU 75 HD13 0.03 -0.02 -0.10 -0.04 0.93 0.81 3ha1A1 LEU 75 HD23 0.10 -0.03 -0.15 -0.04 0.89 0.76 3ha1A1 ARG 76 H -0.02 0.45 -0.05 -0.55 8.46 8.29 3ha1A1 ARG 76 HA 0.01 0.27 0.43 -0.75 4.34 4.29 3ha1A1 ARG 76 HB2 0.00 -0.08 0.18 -0.04 1.90 1.95 3ha1A1 ARG 76 HB3 0.01 -0.01 0.02 -0.04 1.80 1.78 3ha1A1 ARG 76 HG2 0.00 -0.05 0.04 -0.04 1.67 1.62 3ha1A1 ARG 76 HG3 0.01 0.00 0.02 -0.04 1.67 1.66 3ha1A1 ARG 76 HD2 0.02 -0.07 0.03 -0.04 3.22 3.15 3ha1A1 ARG 76 HD3 0.01 0.18 0.07 -0.04 3.22 3.44 3ha1A1 ARG 77 H -0.01 0.64 -0.17 -0.55 8.46 8.37 3ha1A1 ARG 77 HA 0.01 0.04 0.41 -0.75 4.34 4.05 3ha1A1 ARG 77 HB2 0.00 0.07 0.14 -0.04 1.90 2.07 3ha1A1 ARG 77 HB3 0.01 -0.06 0.08 -0.04 1.80 1.79 3ha1A1 ARG 77 HG2 0.01 -0.02 0.03 -0.04 1.67 1.64 3ha1A1 ARG 77 HG3 0.00 0.09 0.05 -0.04 1.67 1.77 3ha1A1 ARG 77 HD2 0.01 -0.02 0.00 -0.04 3.22 3.18 3ha1A1 ARG 77 HD3 0.01 -0.07 -0.03 -0.04 3.22 3.09 3ha1A1 ALA 78 H 0.01 0.29 -0.61 -0.55 8.40 7.54 3ha1A1 ALA 78 HA 0.02 0.10 0.68 -0.75 4.34 4.39 3ha1A1 ALA 78 HB3 0.03 -0.02 0.13 -0.04 1.41 1.51 3ha1A1 GLY 79 H 0.01 0.55 -0.33 -0.55 8.43 8.12 3ha1A1 GLY 79 HA2 0.01 0.03 0.24 -0.51 4.01 3.78 3ha1A1 GLY 79 HA3 0.01 0.07 0.56 -0.51 4.01 4.14 3ha1A1 ILE 80 H 0.01 0.21 -0.26 -0.55 8.25 7.66 3ha1A1 ILE 80 HA 0.01 -0.02 0.43 -0.75 4.18 3.84 3ha1A1 ILE 80 HB 0.01 0.08 -0.14 -0.04 1.89 1.80 3ha1A1 ILE 80 HG12 0.01 -0.01 -0.08 -0.04 1.49 1.37 3ha1A1 ILE 80 HG13 0.01 0.05 -0.12 -0.04 1.21 1.12 3ha1A1 ILE 80 HG23 0.01 -0.01 -0.30 -0.04 0.93 0.59 3ha1A1 ILE 80 HD13 0.03 -0.02 -0.05 -0.04 0.88 0.79 3ha1A1 THR 81 H 0.00 0.02 0.18 -0.55 8.28 7.93 3ha1A1 THR 81 HA 0.00 0.26 0.82 -0.75 4.39 4.72 3ha1A1 THR 81 HB 0.00 -0.01 0.09 -0.04 4.32 4.35 3ha1A1 THR 81 HG23 0.00 0.06 -0.10 -0.04 1.22 1.14 3ha1A1 ALA 82 H -0.01 -0.09 0.01 -0.55 8.40 7.76 3ha1A1 ALA 82 HA -0.03 0.08 0.43 -0.75 4.34 4.08 3ha1A1 ALA 82 HB3 -0.03 0.02 -0.01 -0.04 1.41 1.35 3ha1A1 PRO 83 HA -0.01 0.16 0.50 -0.51 4.44 4.58 3ha1A1 PRO 83 HB2 -0.11 -0.11 0.05 -0.04 2.28 2.07 3ha1A1 PRO 83 HB3 -0.04 0.01 0.07 -0.04 2.02 2.01 3ha1A1 PRO 83 HG2 -0.13 0.01 0.08 -0.04 2.03 1.95 3ha1A1 PRO 83 HG3 -0.06 0.06 0.11 -0.04 2.03 2.10 3ha1A1 PRO 83 HD2 -0.09 0.33 0.35 -0.04 3.68 4.23 3ha1A1 PRO 83 HD3 -0.05 0.11 0.27 -0.04 3.65 3.94 3ha1A1 ILE 84 H 0.02 0.32 0.24 -0.55 8.25 8.29 3ha1A1 ILE 84 HA 0.05 0.18 0.77 -0.75 4.18 4.42 3ha1A1 ILE 84 HB 0.02 0.03 0.10 -0.04 1.89 2.00 3ha1A1 ILE 84 HG12 0.02 -0.11 -0.15 -0.04 1.49 1.21 3ha1A1 ILE 84 HG13 0.01 0.29 -0.39 -0.04 1.21 1.08 3ha1A1 ILE 84 HG23 0.02 -0.07 -0.33 -0.04 0.93 0.51 3ha1A1 ILE 84 HD13 0.01 -0.01 -0.08 -0.04 0.88 0.76 3ha1A1 LEU 85 H 0.07 0.58 0.24 -0.55 8.37 8.72 3ha1A1 LEU 85 HA -0.01 0.25 0.81 -0.75 4.35 4.65 3ha1A1 LEU 85 HB2 -0.15 0.03 -0.13 -0.04 1.64 1.36 3ha1A1 LEU 85 HB3 -0.09 -0.02 0.02 -0.04 1.64 1.51 3ha1A1 LEU 85 HG -0.22 -0.05 -0.67 -0.04 1.64 0.66 3ha1A1 LEU 85 HD13 -0.22 0.03 -0.37 -0.04 0.93 0.33 3ha1A1 LEU 85 HD23 -0.69 -0.01 -0.26 -0.04 0.89 -0.11 3ha1A1 VAL 86 H 0.02 0.73 0.19 -0.55 8.24 8.63 3ha1A1 VAL 86 HA 0.01 0.16 0.68 -0.75 4.13 4.24 3ha1A1 VAL 86 HB 0.07 -0.03 0.18 -0.04 2.12 2.30 3ha1A1 VAL 86 HG13 0.11 0.01 -0.33 -0.04 0.97 0.72 3ha1A1 VAL 86 HG23 0.06 0.01 -0.24 -0.04 0.95 0.74 3ha1A1 LEU 87 H -0.00 0.54 0.20 -0.55 8.37 8.56 3ha1A1 LEU 87 HA -0.05 0.09 0.38 -0.75 4.35 4.02 3ha1A1 LEU 87 HB2 -0.03 -0.04 -0.11 -0.04 1.64 1.41 3ha1A1 LEU 87 HB3 -0.08 -0.04 -0.12 -0.04 1.64 1.35 3ha1A1 LEU 87 HG -0.15 0.06 -0.17 -0.04 1.64 1.34 3ha1A1 LEU 87 HD13 -0.10 -0.03 -0.20 -0.04 0.93 0.56 3ha1A1 LEU 87 HD23 -0.46 0.01 -0.20 -0.04 0.89 0.21 3ha1A1 GLY 88 H 0.07 0.17 0.04 -0.55 8.43 8.17 3ha1A1 GLY 88 HA2 0.04 0.03 0.58 -0.51 4.01 4.15 3ha1A1 GLY 88 HA3 0.09 0.11 0.39 -0.51 4.01 4.10 3ha1A1 PRO 89 HA 0.18 0.12 0.53 -0.51 4.44 4.76 3ha1A1 PRO 89 HB2 0.17 0.03 0.03 -0.04 2.28 2.47 3ha1A1 PRO 89 HB3 0.25 -0.02 0.08 -0.04 2.02 2.29 3ha1A1 PRO 89 HG2 0.09 0.02 0.06 -0.04 2.03 2.16 3ha1A1 PRO 89 HG3 0.09 0.03 0.05 -0.04 2.03 2.16 3ha1A1 PRO 89 HD2 0.07 0.08 0.20 -0.04 3.68 3.99 3ha1A1 PRO 89 HD3 0.04 0.09 0.17 -0.04 3.65 3.91 3ha1A1 SER 90 H 0.17 0.25 0.21 -0.55 8.46 8.54 3ha1A1 SER 90 HA 0.19 0.12 0.74 -0.75 4.49 4.78 3ha1A1 SER 90 HB2 0.26 0.04 0.07 -0.04 3.95 4.27 3ha1A1 SER 90 HB3 0.30 0.04 0.01 -0.04 3.93 4.24 3ha1A1 PRO 91 HA 0.16 0.16 0.63 -0.51 4.44 4.88 3ha1A1 PRO 91 HB2 0.02 -0.06 0.06 -0.04 2.28 2.25 3ha1A1 PRO 91 HB3 0.05 0.08 0.11 -0.04 2.02 2.22 3ha1A1 PRO 91 HG2 0.09 -0.05 0.06 -0.04 2.03 2.09 3ha1A1 PRO 91 HG3 0.06 0.09 0.05 -0.04 2.03 2.19 3ha1A1 PRO 91 HD2 0.15 0.06 0.23 -0.04 3.68 4.09 3ha1A1 PRO 91 HD3 0.10 0.19 0.07 -0.04 3.65 3.97 3ha1A1 PRO 92 HA -1.34 0.12 0.43 -0.51 4.44 3.15 3ha1A1 PRO 92 HB2 -0.42 0.07 -0.11 -0.04 2.28 1.78 3ha1A1 PRO 92 HB3 -1.01 0.10 0.09 -0.04 2.02 1.16 3ha1A1 PRO 92 HG2 -0.28 0.06 0.09 -0.04 2.03 1.86 3ha1A1 PRO 92 HG3 -0.65 0.01 0.16 -0.04 2.03 1.51 3ha1A1 PRO 92 HD2 -0.11 0.10 0.24 -0.04 3.68 3.87 3ha1A1 PRO 92 HD3 -0.06 0.18 0.23 -0.04 3.65 3.96 3ha1A1 ARG 93 H -0.12 0.10 -0.29 -0.55 8.46 7.60 3ha1A1 ARG 93 HA -0.08 0.15 0.44 -0.75 4.34 4.10 3ha1A1 ARG 93 HB2 -0.02 0.06 0.10 -0.04 1.90 1.99 3ha1A1 ARG 93 HB3 -0.05 0.02 0.07 -0.04 1.80 1.79 3ha1A1 ARG 93 HG2 -0.01 -0.11 -0.07 -0.04 1.67 1.44 3ha1A1 ARG 93 HG3 0.02 0.03 -0.26 -0.04 1.67 1.42 3ha1A1 ARG 93 HD2 -0.00 0.04 -0.03 -0.04 3.22 3.18 3ha1A1 ARG 93 HD3 -0.02 0.01 -0.01 -0.04 3.22 3.17 3ha1A1 ASP 94 H 0.06 0.45 -0.56 -0.55 8.40 7.80 3ha1A1 ASP 94 HA 0.09 0.09 0.54 -0.75 4.63 4.59 3ha1A1 ASP 94 HB2 0.27 0.22 -0.00 -0.04 2.71 3.16 3ha1A1 ASP 94 HB3 0.19 -0.06 0.03 -0.04 2.70 2.83 3ha1A1 ILE 95 H 0.05 0.47 -0.34 -0.55 8.25 7.88 3ha1A1 ILE 95 HA 0.34 0.04 0.21 -0.75 4.18 4.01 3ha1A1 ILE 95 HB 0.06 0.02 0.11 -0.04 1.89 2.04 3ha1A1 ILE 95 HG12 0.25 0.05 -0.06 -0.04 1.49 1.69 3ha1A1 ILE 95 HG13 0.32 -0.01 -0.30 -0.04 1.21 1.18 3ha1A1 ILE 95 HG23 0.02 0.04 -0.01 -0.04 0.93 0.94 3ha1A1 ILE 95 HD13 0.50 -0.00 -0.04 -0.04 0.88 1.30 3ha1A1 ASN 96 H 0.09 0.17 -0.19 -0.55 8.53 8.05 3ha1A1 ASN 96 HA 0.14 0.12 0.29 -0.75 4.76 4.56 3ha1A1 ASN 96 HB2 0.02 0.03 0.09 -0.04 2.88 2.98 3ha1A1 ASN 96 HB3 0.00 0.03 0.04 -0.04 2.79 2.82 3ha1A1 ASN 96 HD21 -0.05 0.49 0.22 -0.04 7.03 7.65 3ha1A1 ASN 96 HD22 -0.02 0.00 0.08 -0.04 7.74 7.76 3ha1A1 VAL 97 H 0.08 0.10 -0.12 -0.55 8.24 7.74 3ha1A1 VAL 97 HA 0.05 0.09 0.38 -0.75 4.13 3.90 3ha1A1 VAL 97 HB 0.07 0.00 0.10 -0.04 2.12 2.25 3ha1A1 VAL 97 HG13 0.05 0.01 -0.11 -0.04 0.97 0.88 3ha1A1 VAL 97 HG23 0.03 0.00 0.01 -0.04 0.95 0.95 3ha1A1 ALA 98 H 0.13 0.61 -0.12 -0.55 8.40 8.47 3ha1A1 ALA 98 HA 0.10 -0.01 0.37 -0.75 4.34 4.04 3ha1A1 ALA 98 HB3 0.17 0.05 -0.02 -0.04 1.41 1.58 3ha1A1 ALA 99 H 0.17 0.46 -0.12 -0.55 8.40 8.36 3ha1A1 ALA 99 HA 0.15 0.05 0.51 -0.75 4.34 4.29 3ha1A1 ALA 99 HB3 0.20 0.00 -0.08 -0.04 1.41 1.48 3ha1A1 GLU 100 H 0.08 0.64 -0.06 -0.55 8.60 8.72 3ha1A1 GLU 100 HA 0.06 0.04 0.36 -0.75 4.29 4.00 3ha1A1 ASN 101 H 0.07 0.28 -0.55 -0.55 8.53 7.78 3ha1A1 ASN 101 HA 0.04 0.19 0.87 -0.75 4.76 5.10 3ha1A1 ASN 101 HB2 0.05 0.05 0.06 -0.04 2.88 3.00 3ha1A1 ASN 101 HB3 0.03 -0.06 0.10 -0.04 2.79 2.82 3ha1A1 ASN 101 HD21 0.03 -0.12 -0.06 -0.04 7.03 6.84 3ha1A1 ASN 101 HD22 0.05 0.48 0.05 -0.04 7.74 8.28 3ha1A1 ASP 102 H 0.07 0.39 -0.28 -0.55 8.40 8.02 3ha1A1 ASP 102 HA 0.07 0.02 0.32 -0.75 4.63 4.29 3ha1A1 ASP 102 HB2 0.04 -0.01 -0.06 -0.04 2.71 2.63 3ha1A1 ASP 102 HB3 0.03 0.15 0.02 -0.04 2.70 2.86 3ha1A1 VAL 103 H 0.08 0.60 -0.03 -0.55 8.24 8.33 3ha1A1 VAL 103 HA 0.05 0.23 1.01 -0.75 4.13 4.67 3ha1A1 VAL 103 HB 0.08 -0.08 0.03 -0.04 2.12 2.11 3ha1A1 VAL 103 HG13 0.06 -0.03 -0.28 -0.04 0.97 0.68 3ha1A1 VAL 103 HG23 0.04 0.03 -0.23 -0.04 0.95 0.75 3ha1A1 ALA 104 H 0.07 0.58 0.32 -0.55 8.40 8.83 3ha1A1 ALA 104 HA 0.14 0.28 0.60 -0.75 4.34 4.61 3ha1A1 ALA 104 HB3 0.15 -0.03 -0.11 -0.04 1.41 1.38 3ha1A1 LEU 105 H 0.16 0.52 0.35 -0.55 8.37 8.86 3ha1A1 LEU 105 HA 0.08 0.11 1.07 -0.75 4.35 4.85 3ha1A1 LEU 105 HB2 0.03 0.00 -0.04 -0.04 1.64 1.59 3ha1A1 LEU 105 HB3 0.03 0.05 -0.03 -0.04 1.64 1.65 3ha1A1 LEU 105 HG 0.17 0.12 -0.19 -0.04 1.64 1.71 3ha1A1 LEU 105 HD13 0.33 -0.02 -0.16 -0.04 0.93 1.05 3ha1A1 LEU 105 HD23 0.13 0.01 -0.23 -0.04 0.89 0.76 3ha1A1 THR 106 H 0.06 0.36 0.18 -0.55 8.28 8.33 3ha1A1 THR 106 HA 0.19 0.18 0.81 -0.75 4.39 4.82 3ha1A1 THR 106 HB 0.10 0.13 0.01 -0.04 4.32 4.51 3ha1A1 THR 106 HG23 0.09 -0.05 -0.23 -0.04 1.22 0.99 3ha1A1 VAL 107 H 0.10 0.72 0.31 -0.55 8.24 8.82 3ha1A1 VAL 107 HA -0.55 0.08 0.87 -0.75 4.13 3.78 3ha1A1 VAL 107 HB -0.24 0.06 -0.01 -0.04 2.12 1.89 3ha1A1 VAL 107 HG13 -0.47 -0.03 -0.12 -0.04 0.97 0.31 3ha1A1 VAL 107 HG23 -0.95 0.03 -0.31 -0.04 0.95 -0.32 3ha1A1 PHE 108 H -0.75 0.02 0.16 -0.55 8.34 7.22 3ha1A1 PHE 108 HA -1.19 0.24 0.82 -0.75 4.62 3.73 3ha1A1 PHE 108 HB2 -0.49 -0.02 0.22 -0.04 3.15 2.83 3ha1A1 PHE 108 HB3 -0.41 0.01 -0.10 -0.04 3.06 2.52 3ha1A1 PHE 108 HD2 -0.23 0.03 -0.24 -0.04 7.28 6.80 3ha1A1 PHE 108 HE2 -0.09 0.10 -0.04 -0.04 7.38 7.30 3ha1A1 PHE 108 HZ -0.04 0.08 0.01 -0.04 7.32 7.33 3ha1A1 GLN 109 H -0.49 0.15 0.18 -0.55 8.47 7.76 3ha1A1 GLN 109 HA -0.26 0.24 0.93 -0.75 4.36 4.52 3ha1A1 GLN 109 HB2 -0.18 -0.08 0.17 -0.04 2.15 2.01 3ha1A1 GLN 109 HB3 -0.13 -0.04 0.10 -0.04 2.02 1.90 3ha1A1 GLN 109 HG2 -0.39 0.09 -0.00 -0.04 2.40 2.06 3ha1A1 GLN 109 HG3 -1.80 -0.07 -0.33 -0.04 2.39 0.15 3ha1A1 GLN 109 HE21 -0.01 0.06 -0.00 -0.04 6.97 6.98 3ha1A1 GLN 109 HE22 -0.03 0.04 -0.00 -0.04 7.69 7.65 3ha1A1 LYS 110 H 0.08 0.23 0.12 -0.55 8.42 8.30 3ha1A1 LYS 110 HA 0.21 0.18 0.50 -0.75 4.32 4.46 3ha1A1 LYS 110 HB2 0.04 0.10 0.06 -0.04 1.87 2.04 3ha1A1 LYS 110 HB3 0.12 0.07 -0.04 -0.04 1.79 1.90 3ha1A1 LYS 110 HG2 0.04 -0.03 0.08 -0.04 1.46 1.51 3ha1A1 LYS 110 HG3 0.03 -0.06 -0.02 -0.04 1.46 1.38 3ha1A1 LYS 110 HD2 0.01 0.04 -0.06 -0.04 1.69 1.64 3ha1A1 LYS 110 HD3 0.01 0.07 -0.05 -0.04 1.68 1.67 3ha1A1 LYS 110 HE2 0.01 -0.02 0.01 -0.04 2.99 2.95 3ha1A1 LYS 110 HE3 0.01 -0.04 0.00 -0.04 2.99 2.92 3ha1A1 GLU 111 H 0.04 0.06 -0.15 -0.55 8.60 8.00 3ha1A1 GLU 111 HA 0.02 0.13 0.35 -0.75 4.29 4.04 3ha1A1 GLU 111 HB2 0.02 -0.05 0.02 -0.04 2.09 2.04 3ha1A1 GLU 111 HB3 0.01 0.08 -0.02 -0.04 1.99 2.01 3ha1A1 GLU 111 HG2 0.00 0.07 0.02 -0.04 2.34 2.40 3ha1A1 GLU 111 HG3 0.01 0.05 0.02 -0.04 2.34 2.38 3ha1A1 TRP 112 H 0.18 0.04 -0.26 -0.55 7.97 7.39 3ha1A1 TRP 112 HA -0.04 0.05 0.53 -0.75 4.62 4.41 3ha1A1 TRP 112 HB2 -0.18 -0.08 0.16 -0.04 3.23 3.09 3ha1A1 TRP 112 HB3 -0.09 0.09 0.16 -0.04 3.23 3.35 3ha1A1 TRP 112 HD1 -0.07 -0.02 0.09 -0.04 7.22 7.18 3ha1A1 TRP 112 HE1 0.03 0.26 -0.40 -0.04 10.20 10.05 3ha1A1 TRP 112 HE3 -0.04 0.05 -0.49 -0.04 7.59 7.07 3ha1A1 TRP 112 HZ2 0.07 0.01 -0.15 -0.04 7.44 7.34 3ha1A1 TRP 112 HZ3 -0.00 0.07 -0.09 -0.04 7.13 7.06 3ha1A1 TRP 112 HH2 0.10 0.05 -0.07 -0.04 7.19 7.23 3ha1A1 VAL 113 H 0.30 0.28 -0.23 -0.55 8.24 8.04 3ha1A1 VAL 113 HA 0.32 0.03 0.32 -0.75 4.13 4.04 3ha1A1 VAL 113 HB 0.04 0.08 0.13 -0.04 2.12 2.33 3ha1A1 VAL 113 HG13 -0.11 0.02 -0.23 -0.04 0.97 0.62 3ha1A1 VAL 113 HG23 0.05 0.03 -0.03 -0.04 0.95 0.96 3ha1A1 ASP 114 H 0.04 0.64 0.07 -0.55 8.40 8.60 3ha1A1 ASP 114 HA -0.00 0.06 0.48 -0.75 4.63 4.41 3ha1A1 ASP 114 HB2 -0.00 0.04 0.15 -0.04 2.71 2.85 3ha1A1 ASP 114 HB3 -0.01 -0.01 -0.05 -0.04 2.70 2.59 3ha1A1 GLU 115 H -0.08 0.45 -0.25 -0.55 8.60 8.18 3ha1A1 GLU 115 HA -0.08 0.06 0.55 -0.75 4.29 4.06 3ha1A1 GLU 115 HB2 -0.28 0.07 0.20 -0.04 2.09 2.03 3ha1A1 GLU 115 HB3 -0.22 -0.07 -0.03 -0.04 1.99 1.63 3ha1A1 GLU 115 HG2 -0.08 0.09 0.07 -0.04 2.34 2.38 3ha1A1 GLU 115 HG3 -0.11 -0.07 0.03 -0.04 2.34 2.14 3ha1A1 ALA 116 H -0.33 0.71 0.08 -0.55 8.40 8.32 3ha1A1 ALA 116 HA -0.24 -0.01 0.50 -0.75 4.34 3.83 3ha1A1 ALA 116 HB3 -0.31 0.00 0.10 -0.04 1.41 1.16 3ha1A1 ILE 117 H 0.08 0.64 -0.15 -0.55 8.25 8.28 3ha1A1 ILE 117 HA 0.37 -0.00 0.44 -0.75 4.18 4.23 3ha1A1 ILE 117 HB 0.06 0.11 0.14 -0.04 1.89 2.16 3ha1A1 ILE 117 HG12 0.11 0.04 -0.05 -0.04 1.49 1.54 3ha1A1 ILE 117 HG13 0.08 0.10 0.02 -0.04 1.21 1.37 3ha1A1 ILE 117 HG23 0.12 -0.01 -0.03 -0.04 0.93 0.98 3ha1A1 ILE 117 HD13 -0.02 -0.02 -0.12 -0.04 0.88 0.68 3ha1A1 LYS 118 H 0.02 0.30 -0.23 -0.55 8.42 7.95 3ha1A1 LYS 118 HA 0.03 0.03 0.50 -0.75 4.32 4.12 3ha1A1 LYS 118 HB2 -0.03 0.12 0.24 -0.04 1.87 2.15 3ha1A1 LYS 118 HB3 -0.02 -0.08 0.02 -0.04 1.79 1.67 3ha1A1 LYS 118 HG2 0.00 -0.02 0.07 -0.04 1.46 1.47 3ha1A1 LYS 118 HG3 0.00 0.08 0.09 -0.04 1.46 1.59 3ha1A1 LYS 118 HD2 -0.02 -0.03 0.02 -0.04 1.69 1.62 3ha1A1 LYS 118 HD3 -0.01 -0.04 0.02 -0.04 1.68 1.60 3ha1A1 LYS 118 HE2 -0.03 0.04 -0.05 -0.04 2.99 2.90 3ha1A1 LYS 118 HE3 -0.02 -0.08 -0.03 -0.04 2.99 2.82 3ha1A1 LEU 119 H -0.01 0.35 -0.19 -0.55 8.37 7.97 3ha1A1 LEU 119 HA -0.03 0.11 0.60 -0.75 4.35 4.27 3ha1A1 LEU 119 HB2 -0.08 0.03 0.01 -0.04 1.64 1.56 3ha1A1 LEU 119 HB3 -0.05 -0.11 0.06 -0.04 1.64 1.50 3ha1A1 LEU 119 HG -0.09 0.24 -0.06 -0.04 1.64 1.68 3ha1A1 LEU 119 HD13 -0.13 -0.05 -0.22 -0.04 0.93 0.48 3ha1A1 LEU 119 HD23 -0.05 0.01 -0.12 -0.04 0.89 0.69 3ha1A1 TRP 120 H 0.10 0.44 -0.13 -0.55 7.97 7.83 3ha1A1 TRP 120 HA -0.25 -0.12 0.44 -0.75 4.62 3.93 3ha1A1 TRP 120 HB2 -0.77 0.13 0.10 -0.04 3.23 2.64 3ha1A1 TRP 120 HB3 -0.45 0.12 0.10 -0.04 3.23 2.95 3ha1A1 TRP 120 HD1 -0.37 -0.01 0.01 -0.04 7.22 6.81 3ha1A1 TRP 120 HE1 -0.12 0.74 0.11 -0.04 10.20 10.88 3ha1A1 TRP 120 HE3 -0.27 0.11 -0.01 -0.04 7.59 7.38 3ha1A1 TRP 120 HZ2 0.03 0.04 -0.29 -0.04 7.44 7.17 3ha1A1 TRP 120 HZ3 0.01 0.03 -0.00 -0.04 7.13 7.12 3ha1A1 TRP 120 HH2 0.04 0.07 -0.05 -0.04 7.19 7.21 3ha1A1 ASP 121 H -0.43 0.04 0.21 -0.55 8.40 7.68 3ha1A1 ASP 121 HA -0.35 0.25 0.46 -0.75 4.63 4.24 3ha1A1 ASP 121 HB2 -0.23 0.03 0.17 -0.04 2.71 2.64 3ha1A1 ASP 121 HB3 -0.18 0.06 0.11 -0.04 2.70 2.65 3ha1A1 GLY 122 H -2.90 0.06 -0.22 -0.55 8.43 4.83 3ha1A1 GLY 122 HA2 -3.52 0.04 0.24 -0.51 4.01 0.27 3ha1A1 GLY 122 HA3 -1.00 0.17 0.30 -0.51 4.01 2.98 3ha1A1 SER 123 H -0.60 -0.01 -0.44 -0.55 8.46 6.87 3ha1A1 SER 123 HA -0.14 0.22 0.66 -0.75 4.49 4.47 3ha1A1 SER 123 HB2 -0.19 -0.03 -0.02 -0.04 3.95 3.67 3ha1A1 SER 123 HB3 -0.08 0.01 0.07 -0.04 3.93 3.89 3ha1A1 SER 124 H 0.14 0.11 -0.25 -0.55 8.46 7.91 3ha1A1 SER 124 HA 0.16 0.20 0.80 -0.75 4.49 4.89 3ha1A1 SER 124 HB2 0.16 0.12 -0.18 -0.04 3.95 4.01 3ha1A1 SER 124 HB3 0.06 0.06 -0.34 -0.04 3.93 3.67 3ha1A1 THR 125 H 0.23 0.15 0.12 -0.55 8.28 8.22 3ha1A1 THR 125 HA 0.33 0.15 0.96 -0.75 4.39 5.08 3ha1A1 THR 125 HB 0.14 0.14 0.02 -0.04 4.32 4.58 3ha1A1 THR 125 HG23 0.19 -0.03 0.00 -0.04 1.22 1.34 3ha1A1 MET 126 H 0.25 0.70 0.36 -0.55 8.47 9.23 3ha1A1 MET 126 HA 0.19 0.21 1.07 -0.75 4.52 5.24 3ha1A1 MET 126 HB2 0.30 0.00 -0.05 -0.04 2.15 2.37 3ha1A1 MET 126 HB3 0.30 -0.08 0.05 -0.04 2.03 2.25 3ha1A1 MET 126 HG2 0.22 0.19 -0.04 -0.04 2.63 2.96 3ha1A1 MET 126 HG3 0.22 -0.02 -0.03 -0.04 2.56 2.68 3ha1A1 MET 126 HE3 0.17 -0.02 -0.15 -0.04 2.10 2.06 3ha1A1 LYS 127 H 0.15 0.18 0.11 -0.55 8.42 8.31 3ha1A1 LYS 127 HA 0.11 0.33 0.70 -0.75 4.32 4.71 3ha1A1 LYS 127 HB2 0.11 -0.03 0.01 -0.04 1.87 1.92 3ha1A1 LYS 127 HB3 0.08 -0.02 0.00 -0.04 1.79 1.81 3ha1A1 LYS 127 HG2 0.02 0.07 -0.07 -0.04 1.46 1.44 3ha1A1 LYS 127 HG3 0.07 -0.04 -0.17 -0.04 1.46 1.28 3ha1A1 LYS 127 HD2 0.07 -0.00 -0.08 -0.04 1.69 1.64 3ha1A1 LYS 127 HD3 0.03 -0.01 -0.06 -0.04 1.68 1.61 3ha1A1 LYS 127 HE2 0.05 0.01 -0.06 -0.04 2.99 2.95 3ha1A1 LYS 127 HE3 0.03 0.02 -0.03 -0.04 2.99 2.97 3ha1A1 TYR 128 H -0.10 0.51 0.31 -0.55 8.29 8.46 3ha1A1 TYR 128 HA 0.14 0.16 0.91 -0.75 4.56 5.02 3ha1A1 TYR 128 HB2 -0.02 0.04 0.05 -0.04 3.06 3.10 3ha1A1 TYR 128 HB3 0.01 0.01 -0.26 -0.04 2.98 2.69 3ha1A1 TYR 128 HD2 0.05 0.05 -0.34 -0.04 7.15 6.87 3ha1A1 TYR 128 HE2 0.05 0.06 -0.36 -0.04 6.85 6.56 3ha1A1 HIS 129 H 0.39 0.49 0.22 -0.55 8.41 8.96 3ha1A1 HIS 129 HA 0.07 0.27 1.04 -0.75 4.63 5.26 3ha1A1 HIS 129 HB2 0.30 -0.06 -0.08 -0.04 3.26 3.39 3ha1A1 HIS 129 HB3 0.42 0.04 -0.24 -0.04 3.20 3.38 3ha1A1 HIS 129 HD2 0.10 -0.12 -0.61 -0.04 6.97 6.30 3ha1A1 HIS 129 HE1 0.52 0.05 -0.25 -0.04 7.75 8.03 3ha1A1 ILE 130 H 0.14 0.47 0.36 -0.55 8.25 8.67 3ha1A1 ILE 130 HA 0.03 0.28 0.97 -0.75 4.18 4.71 3ha1A1 ILE 130 HB -0.01 -0.03 0.21 -0.04 1.89 2.02 3ha1A1 ILE 130 HG12 0.48 0.06 0.03 -0.04 1.49 2.03 3ha1A1 ILE 130 HG13 0.30 0.02 0.06 -0.04 1.21 1.55 3ha1A1 ILE 130 HG23 -0.56 -0.03 -0.16 -0.04 0.93 0.15 3ha1A1 ILE 130 HD13 0.30 0.00 -0.03 -0.04 0.88 1.12 3ha1A1 ASN 131 H -0.26 0.17 0.10 -0.55 8.53 7.99 3ha1A1 ASN 131 HA -1.07 0.29 0.85 -0.75 4.76 4.07 3ha1A1 ASN 131 HB2 -0.65 0.08 -0.07 -0.04 2.88 2.20 3ha1A1 ASN 131 HB3 -0.59 -0.13 0.03 -0.04 2.79 2.06 3ha1A1 ASN 131 HD21 -0.22 -0.07 -0.17 -0.04 7.03 6.52 3ha1A1 ASN 131 HD22 -0.15 0.11 -0.14 -0.04 7.74 7.52 3ha1A1 PHE 132 H -0.24 0.75 0.32 -0.55 8.34 8.62 3ha1A1 PHE 132 HA -0.11 0.07 0.90 -0.75 4.62 4.73 3ha1A1 PHE 132 HB2 0.08 0.05 0.11 -0.04 3.15 3.36 3ha1A1 PHE 132 HB3 0.02 0.02 -0.15 -0.04 3.06 2.91 3ha1A1 PHE 132 HD2 0.10 0.10 -0.07 -0.04 7.28 7.36 3ha1A1 PHE 132 HE2 0.14 -0.01 -0.10 -0.04 7.38 7.36 3ha1A1 PHE 132 HZ 0.16 0.03 -0.08 -0.04 7.32 7.39 3ha1A1 ASP 133 H 0.01 0.61 -0.08 -0.55 8.40 8.39 3ha1A1 ASP 133 HA -0.10 -0.03 0.68 -0.75 4.63 4.44 3ha1A1 ASP 133 HB2 -0.13 0.29 -0.25 -0.04 2.71 2.58 3ha1A1 ASP 133 HB3 -0.01 0.10 -0.23 -0.04 2.70 2.52 3ha1A1 SER 134 H -0.09 0.15 0.25 -0.55 8.46 8.22 3ha1A1 SER 134 HA -0.03 0.26 0.79 -0.75 4.49 4.76 3ha1A1 SER 134 HB2 -0.08 0.10 0.27 -0.04 3.95 4.20 3ha1A1 SER 134 HB3 -0.05 0.05 0.02 -0.04 3.93 3.91 3ha1A1 GLY 135 H -0.00 -0.18 -0.02 -0.55 8.43 7.68 3ha1A1 GLY 135 HA2 0.08 0.10 0.20 -0.51 4.01 3.88 3ha1A1 GLY 135 HA3 0.03 0.19 0.72 -0.51 4.01 4.45 3ha1A1 MET 136 H 0.03 -0.04 0.20 -0.55 8.47 8.11 3ha1A1 MET 136 HA 0.11 0.13 0.64 -0.75 4.52 4.64 3ha1A1 MET 136 HB2 0.07 0.12 0.03 -0.04 2.15 2.34 3ha1A1 MET 136 HB3 0.02 -0.06 0.17 -0.04 2.03 2.12 3ha1A1 MET 136 HG2 0.13 0.02 -0.04 -0.04 2.63 2.70 3ha1A1 MET 136 HG3 0.05 -0.00 -0.09 -0.04 2.56 2.48 3ha1A1 MET 136 HE3 0.10 0.01 -0.02 -0.04 2.10 2.14 3ha1A1 GLY 137 H 0.03 -0.07 -0.13 -0.55 8.43 7.71 3ha1A1 GLY 137 HA2 0.02 0.01 0.17 -0.51 4.01 3.70 3ha1A1 GLY 137 HA3 0.03 0.15 0.37 -0.51 4.01 4.05 3ha1A1 ARG 138 H -0.03 -0.08 -0.31 -0.55 8.46 7.48 3ha1A1 ARG 138 HA -0.02 0.18 0.40 -0.75 4.34 4.15 3ha1A1 ARG 138 HB2 -0.00 0.08 -0.10 -0.04 1.90 1.83 3ha1A1 ARG 138 HB3 -0.04 -0.11 0.09 -0.04 1.80 1.70 3ha1A1 ARG 138 HG2 -0.06 -0.01 -0.12 -0.04 1.67 1.45 3ha1A1 ARG 138 HG3 -0.02 0.04 -0.06 -0.04 1.67 1.59 3ha1A1 ARG 138 HD2 -0.03 0.01 -0.04 -0.04 3.22 3.12 3ha1A1 ARG 138 HD3 -0.01 0.02 -0.04 -0.04 3.22 3.14 3ha1A1 ILE 139 H -0.15 0.10 0.10 -0.55 8.25 7.75 3ha1A1 ILE 139 HA -0.22 0.27 0.61 -0.75 4.18 4.08 3ha1A1 ILE 139 HB -1.09 -0.10 0.10 -0.04 1.89 0.76 3ha1A1 ILE 139 HG12 -0.18 -0.06 -0.04 -0.04 1.49 1.17 3ha1A1 ILE 139 HG13 -0.42 -0.02 -0.25 -0.04 1.21 0.48 3ha1A1 ILE 139 HG23 -0.01 0.01 -0.10 -0.04 0.93 0.79 3ha1A1 ILE 139 HD13 -0.15 0.06 -0.12 -0.04 0.88 0.64 3ha1A1 GLY 140 H -1.57 0.10 0.05 -0.55 8.43 6.45 3ha1A1 GLY 140 HA2 -0.81 0.15 0.34 -0.51 4.01 3.18 3ha1A1 GLY 140 HA3 -0.43 0.10 0.51 -0.51 4.01 3.67 3ha1A1 ILE 141 H -0.28 0.67 0.46 -0.55 8.25 8.54 3ha1A1 ILE 141 HA 0.04 0.02 0.44 -0.75 4.18 3.93 3ha1A1 ILE 141 HB -0.34 0.06 0.21 -0.04 1.89 1.78 3ha1A1 ILE 141 HG12 -0.12 -0.04 0.05 -0.04 1.49 1.34 3ha1A1 ILE 141 HG13 -0.20 0.01 0.17 -0.04 1.21 1.16 3ha1A1 ILE 141 HG23 0.28 -0.04 -0.14 -0.04 0.93 0.99 3ha1A1 ILE 141 HD13 -0.55 -0.01 0.02 -0.04 0.88 0.30 3ha1A1 ARG 142 H 0.12 -0.02 0.27 -0.55 8.46 8.28 3ha1A1 ARG 142 HA 0.19 0.38 1.05 -0.75 4.34 5.21 3ha1A1 ARG 142 HB2 0.09 -0.08 0.12 -0.04 1.90 2.00 3ha1A1 ARG 142 HB3 0.11 0.01 0.01 -0.04 1.80 1.89 3ha1A1 ARG 142 HG2 0.05 0.05 -0.05 -0.04 1.67 1.68 3ha1A1 ARG 142 HG3 0.04 0.06 -0.29 -0.04 1.67 1.44 3ha1A1 ARG 142 HD2 0.03 0.01 -0.12 -0.04 3.22 3.10 3ha1A1 ARG 142 HD3 0.05 -0.01 -0.03 -0.04 3.22 3.19 3ha1A1 GLU 143 H 0.15 -0.05 0.21 -0.55 8.60 8.36 3ha1A1 GLU 143 HA 0.15 0.33 0.89 -0.75 4.29 4.91 3ha1A1 GLU 143 HB2 0.01 -0.13 0.10 -0.04 2.09 2.03 3ha1A1 GLU 143 HB3 -0.06 -0.04 0.11 -0.04 1.99 1.95 3ha1A1 GLU 143 HG2 0.07 -0.04 -0.01 -0.04 2.34 2.32 3ha1A1 GLU 143 HG3 0.02 0.06 0.02 -0.04 2.34 2.40 3ha1A1 ARG 144 H -0.66 0.22 0.18 -0.55 8.46 7.65 3ha1A1 ARG 144 HA -0.88 0.15 0.40 -0.75 4.34 3.25 3ha1A1 ARG 144 HB2 -2.61 0.09 0.13 -0.04 1.90 -0.53 3ha1A1 ARG 144 HB3 -0.73 -0.05 0.19 -0.04 1.80 1.17 3ha1A1 ARG 144 HG2 -0.29 -0.01 -0.19 -0.04 1.67 1.14 3ha1A1 ARG 144 HG3 -0.99 0.05 0.03 -0.04 1.67 0.72 3ha1A1 ARG 144 HD2 -0.60 0.05 0.01 -0.04 3.22 2.64 3ha1A1 ARG 144 HD3 -0.37 -0.03 0.02 -0.04 3.22 2.80 3ha1A1 LYS 145 H -0.21 0.11 0.02 -0.55 8.42 7.78 3ha1A1 LYS 145 HA -0.10 0.15 0.47 -0.75 4.32 4.08 3ha1A1 GLU 146 H -0.04 -0.00 -0.30 -0.55 8.60 7.72 3ha1A1 GLU 146 HA 0.02 0.07 0.53 -0.75 4.29 4.15 3ha1A1 GLU 146 HB2 0.03 -0.00 0.14 -0.04 2.09 2.21 3ha1A1 GLU 146 HB3 0.06 0.06 0.19 -0.04 1.99 2.26 3ha1A1 GLU 146 HG2 0.04 0.08 -0.11 -0.04 2.34 2.31 3ha1A1 GLU 146 HG3 0.03 0.01 0.09 -0.04 2.34 2.43 3ha1A1 LEU 147 H 0.12 0.55 -0.08 -0.55 8.37 8.41 3ha1A1 LEU 147 HA 0.23 -0.01 0.37 -0.75 4.35 4.19 3ha1A1 LEU 147 HB2 0.51 -0.03 0.04 -0.04 1.64 2.12 3ha1A1 LEU 147 HB3 0.38 0.11 0.13 -0.04 1.64 2.22 3ha1A1 LEU 147 HG 0.49 0.04 -0.34 -0.04 1.64 1.79 3ha1A1 LEU 147 HD13 0.43 -0.02 -0.01 -0.04 0.93 1.29 3ha1A1 LEU 147 HD23 0.69 0.00 -0.13 -0.04 0.89 1.41 3ha1A1 LYS 148 H 0.01 0.58 -0.10 -0.55 8.42 8.35 3ha1A1 LYS 148 HA -0.48 0.08 0.49 -0.75 4.32 3.65 3ha1A1 LYS 148 HB2 -0.29 0.11 0.17 -0.04 1.87 1.82 3ha1A1 LYS 148 HB3 -0.22 0.00 0.13 -0.04 1.79 1.67 3ha1A1 LYS 148 HG2 -0.51 -0.01 -0.00 -0.04 1.46 0.90 3ha1A1 LYS 148 HG3 -1.65 0.04 0.04 -0.04 1.46 -0.15 3ha1A1 LYS 148 HD2 -0.22 -0.02 -0.02 -0.04 1.69 1.39 3ha1A1 LYS 148 HD3 -0.20 -0.04 -0.01 -0.04 1.68 1.40 3ha1A1 LYS 148 HE2 -0.17 -0.01 -0.03 -0.04 2.99 2.74 3ha1A1 LYS 148 HE3 -0.31 0.05 -0.01 -0.04 2.99 2.68 3ha1A1 GLY 149 H -0.05 0.54 -0.02 -0.55 8.43 8.35 3ha1A1 GLY 149 HA2 -0.07 0.04 0.46 -0.51 4.01 3.93 3ha1A1 GLY 149 HA3 -0.02 0.01 0.33 -0.51 4.01 3.82 3ha1A1 PHE 150 H 0.15 0.51 -0.22 -0.55 8.34 8.23 3ha1A1 PHE 150 HA -0.05 -0.11 0.47 -0.75 4.62 4.17 3ha1A1 PHE 150 HB2 -0.03 -0.11 0.01 -0.04 3.15 2.98 3ha1A1 PHE 150 HB3 -0.00 0.19 0.18 -0.04 3.06 3.38 3ha1A1 PHE 150 HD2 -0.04 -0.05 -0.31 -0.04 7.28 6.85 3ha1A1 PHE 150 HE2 -0.09 0.01 -0.17 -0.04 7.38 7.09 3ha1A1 PHE 150 HZ -0.27 0.10 -0.25 -0.04 7.32 6.85 3ha1A1 LEU 151 H 0.03 0.65 0.02 -0.55 8.37 8.53 3ha1A1 LEU 151 HA -0.30 0.02 0.49 -0.75 4.35 3.79 3ha1A1 LEU 151 HB2 -0.11 0.11 0.15 -0.04 1.64 1.74 3ha1A1 LEU 151 HB3 -0.06 0.04 -0.00 -0.04 1.64 1.57 3ha1A1 LEU 151 HG 0.17 0.08 0.07 -0.04 1.64 1.93 3ha1A1 LEU 151 HD13 0.25 -0.00 -0.06 -0.04 0.93 1.08 3ha1A1 LEU 151 HD23 0.04 -0.01 -0.04 -0.04 0.89 0.84 3ha1A1 LYS 152 H -0.13 0.51 -0.11 -0.55 8.42 8.14 3ha1A1 LYS 152 HA -0.11 0.05 0.43 -0.75 4.32 3.95 3ha1A1 SER 153 H -0.12 0.45 -0.22 -0.55 8.46 8.02 3ha1A1 SER 153 HA -0.09 0.03 0.25 -0.75 4.49 3.92 3ha1A1 LEU 154 H -0.30 0.39 -0.29 -0.55 8.37 7.61 3ha1A1 LEU 154 HA -0.30 -0.03 0.39 -0.75 4.35 3.66 3ha1A1 LEU 154 HB2 -0.34 0.14 0.16 -0.04 1.64 1.56 3ha1A1 LEU 154 HB3 -0.26 0.03 0.02 -0.04 1.64 1.39 3ha1A1 LEU 154 HG -0.92 -0.01 -0.04 -0.04 1.64 0.64 3ha1A1 LEU 154 HD13 -0.66 -0.02 -0.11 -0.04 0.93 0.09 3ha1A1 LEU 154 HD23 -0.51 -0.01 -0.04 -0.04 0.89 0.29 3ha1A1 GLU 155 H -0.15 0.45 -0.32 -0.55 8.60 8.03 3ha1A1 GLU 155 HA -0.11 0.04 0.36 -0.75 4.29 3.84 3ha1A1 GLU 155 HB2 -0.08 0.18 0.15 -0.04 2.09 2.30 3ha1A1 GLU 155 HB3 -0.06 -0.07 0.08 -0.04 1.99 1.89 3ha1A1 GLU 155 HG2 -0.06 -0.04 0.04 -0.04 2.34 2.24 3ha1A1 GLU 155 HG3 -0.09 0.12 0.08 -0.04 2.34 2.40 3ha1A1 GLY 156 H -0.12 0.44 -0.33 -0.55 8.43 7.87 3ha1A1 GLY 156 HA2 -0.06 0.07 0.56 -0.51 4.01 4.07 3ha1A1 GLY 156 HA3 -0.06 -0.04 0.33 -0.51 4.01 3.73 3ha1A1 ALA 157 H -0.23 0.59 -0.50 -0.55 8.40 7.71 3ha1A1 ALA 157 HA -0.53 0.16 0.92 -0.75 4.34 4.13 3ha1A1 ALA 157 HB3 -0.67 -0.02 0.05 -0.04 1.41 0.74 3ha1A1 PRO 158 HA -0.18 0.17 0.32 -0.51 4.44 4.24 3ha1A1 PRO 158 HB2 -0.05 0.00 0.04 -0.04 2.28 2.23 3ha1A1 PRO 158 HB3 -0.08 0.05 0.09 -0.04 2.02 2.04 3ha1A1 PRO 158 HG2 -0.05 -0.01 -0.02 -0.04 2.03 1.91 3ha1A1 PRO 158 HG3 -0.02 0.03 0.02 -0.04 2.03 2.02 3ha1A1 PRO 158 HD2 -0.14 0.11 0.09 -0.04 3.68 3.69 3ha1A1 PRO 158 HD3 -0.12 0.21 -0.22 -0.04 3.65 3.47 3ha1A1 PHE 159 H -0.75 0.05 -0.47 -0.55 8.34 6.62 3ha1A1 PHE 159 HA -0.16 0.11 0.57 -0.75 4.62 4.38 3ha1A1 PHE 159 HB2 -0.53 0.02 0.11 -0.04 3.15 2.71 3ha1A1 PHE 159 HB3 -1.24 0.01 -0.01 -0.04 3.06 1.78 3ha1A1 PHE 159 HD2 -0.85 -0.01 -0.14 -0.04 7.28 6.24 3ha1A1 PHE 159 HE2 -0.23 0.02 -0.04 -0.04 7.38 7.09 3ha1A1 PHE 159 HZ -0.16 -0.05 -0.34 -0.04 7.32 6.74 3ha1A1 LEU 160 H -0.67 0.54 -0.19 -0.55 8.37 7.50 3ha1A1 LEU 160 HA 0.06 0.21 0.93 -0.75 4.35 4.79 3ha1A1 LEU 160 HB2 -0.35 0.17 0.16 -0.04 1.64 1.58 3ha1A1 LEU 160 HB3 -0.20 -0.07 -0.06 -0.04 1.64 1.27 3ha1A1 LEU 160 HG -0.91 -0.04 -0.04 -0.04 1.64 0.61 3ha1A1 LEU 160 HD13 -0.14 -0.03 -0.04 -0.04 0.93 0.68 3ha1A1 LEU 160 HD23 0.24 -0.00 -0.08 -0.04 0.89 1.01 3ha1A1 GLU 161 H 0.24 0.62 0.24 -0.55 8.60 9.14 3ha1A1 GLU 161 HA 0.06 0.17 0.87 -0.75 4.29 4.64 3ha1A1 GLU 161 HB2 0.05 0.02 -0.26 -0.04 2.09 1.86 3ha1A1 GLU 161 HB3 0.04 -0.07 -0.07 -0.04 1.99 1.86 3ha1A1 GLU 161 HG2 -0.03 0.14 -0.27 -0.04 2.34 2.14 3ha1A1 GLU 161 HG3 0.00 0.00 -0.05 -0.04 2.34 2.25 3ha1A1 LEU 162 H -0.11 0.16 0.12 -0.55 8.37 7.99 3ha1A1 LEU 162 HA -1.27 0.05 0.42 -0.75 4.35 2.80 3ha1A1 LEU 162 HB2 -0.23 -0.03 0.09 -0.04 1.64 1.42 3ha1A1 LEU 162 HB3 -0.14 0.03 0.13 -0.04 1.64 1.61 3ha1A1 LEU 162 HG -0.19 0.06 -0.25 -0.04 1.64 1.23 3ha1A1 LEU 162 HD13 -0.29 0.03 0.09 -0.04 0.93 0.72 3ha1A1 LEU 162 HD23 0.01 0.00 -0.10 -0.04 0.89 0.77 3ha1A1 GLU 163 H -0.43 0.59 0.51 -0.55 8.60 8.72 3ha1A1 GLU 163 HA -0.15 0.21 0.92 -0.75 4.29 4.51 3ha1A1 GLU 163 HB2 -0.07 0.01 0.03 -0.04 2.09 2.02 3ha1A1 GLU 163 HB3 -0.14 -0.05 0.00 -0.04 1.99 1.76 3ha1A1 GLU 163 HG2 -0.14 -0.02 -0.10 -0.04 2.34 2.04 3ha1A1 GLU 163 HG3 -0.11 0.03 0.05 -0.04 2.34 2.28 3ha1A1 GLY 164 H -0.48 0.18 0.41 -0.55 8.43 7.99 3ha1A1 GLY 164 HA2 0.07 0.26 0.61 -0.51 4.01 4.44 3ha1A1 GLY 164 HA3 0.02 0.01 0.42 -0.51 4.01 3.95 3ha1A1 VAL 165 H 0.19 0.67 0.46 -0.55 8.24 9.02 3ha1A1 VAL 165 HA 0.14 0.15 1.02 -0.75 4.13 4.69 3ha1A1 VAL 165 HB 0.13 -0.04 0.13 -0.04 2.12 2.30 3ha1A1 VAL 165 HG13 0.34 -0.02 -0.06 -0.04 0.97 1.19 3ha1A1 VAL 165 HG23 0.11 0.01 -0.11 -0.04 0.95 0.92 3ha1A1 TYR 166 H -0.10 0.67 0.44 -0.55 8.29 8.75 3ha1A1 TYR 166 HA -0.38 0.19 1.04 -0.75 4.56 4.65 3ha1A1 TYR 166 HB2 -0.75 0.22 0.19 -0.04 3.06 2.68 3ha1A1 TYR 166 HB3 -1.37 -0.05 -0.30 -0.04 2.98 1.22 3ha1A1 TYR 166 HD2 -0.09 0.08 -0.28 -0.04 7.15 6.82 3ha1A1 TYR 166 HE2 -0.08 -0.02 -0.24 -0.04 6.85 6.46 3ha1A1 THR 167 H -0.60 0.37 0.40 -0.55 8.28 7.90 3ha1A1 THR 167 HA -0.42 0.21 0.50 -0.75 4.39 3.92 3ha1A1 THR 167 HB -0.96 0.02 0.12 -0.04 4.32 3.46 3ha1A1 THR 167 HG23 -1.25 -0.00 -0.08 -0.04 1.22 -0.15 3ha1A1 HIS 168 H -0.29 0.16 0.24 -0.55 8.41 7.97 3ha1A1 HIS 168 HA -0.28 0.29 0.83 -0.75 4.63 4.72 3ha1A1 HIS 168 HB2 -0.02 0.10 -0.23 -0.04 3.26 3.08 3ha1A1 HIS 168 HB3 -0.09 -0.09 0.04 -0.04 3.20 3.02 3ha1A1 HIS 168 HD2 0.01 -0.06 -0.16 -0.04 6.97 6.72 3ha1A1 HIS 168 HE1 0.10 -0.09 0.03 -0.04 7.75 7.74 3ha1A1 PHE 169 H -0.40 0.20 0.20 -0.55 8.34 7.79 3ha1A1 PHE 169 HA -0.00 0.13 0.81 -0.75 4.62 4.81 3ha1A1 PHE 169 HB2 0.05 -0.06 0.17 -0.04 3.15 3.27 3ha1A1 PHE 169 HB3 0.23 -0.13 0.05 -0.04 3.06 3.17 3ha1A1 PHE 169 HD2 0.08 -0.09 0.04 -0.04 7.28 7.27 3ha1A1 PHE 169 HE2 -0.01 0.03 -0.21 -0.04 7.38 7.15 3ha1A1 PHE 169 HZ 0.07 0.08 -0.09 -0.04 7.32 7.34 3ha1A1 ALA 170 H 0.27 0.19 0.10 -0.55 8.40 8.42 3ha1A1 ALA 170 HA 0.06 0.18 0.64 -0.75 4.34 4.47 3ha1A1 ALA 170 HB3 0.12 0.03 0.05 -0.04 1.41 1.56 3ha1A1 THR 171 H 0.27 0.01 -0.15 -0.55 8.28 7.87 3ha1A1 THR 171 HA 0.08 0.32 1.05 -0.75 4.39 5.09 3ha1A1 THR 171 HB 0.10 0.06 0.14 -0.04 4.32 4.57 3ha1A1 THR 171 HG23 -0.05 0.02 -0.24 -0.04 1.22 0.91 3ha1A1 ALA 172 H 0.17 0.14 -0.14 -0.55 8.40 8.01 3ha1A1 ALA 172 HA 0.07 0.22 0.43 -0.75 4.34 4.30 3ha1A1 ALA 172 HB3 0.11 0.01 0.02 -0.04 1.41 1.51 3ha1A1 ASP 173 H 0.07 0.01 -0.61 -0.55 8.40 7.31 3ha1A1 ASP 173 HA 0.01 0.26 0.61 -0.75 4.63 4.75 3ha1A1 ASP 173 HB2 0.05 -0.05 -0.09 -0.04 2.71 2.58 3ha1A1 ASP 173 HB3 0.07 -0.10 -0.14 -0.04 2.70 2.49 3ha1A1 GLU 174 H 0.06 0.48 -0.35 -0.55 8.60 8.23 3ha1A1 GLU 174 HA 0.04 0.07 0.78 -0.75 4.29 4.43 3ha1A1 GLU 174 HB2 0.06 0.17 0.10 -0.04 2.09 2.38 3ha1A1 GLU 174 HB3 0.04 -0.09 0.04 -0.04 1.99 1.93 3ha1A1 GLU 174 HG2 0.02 0.02 -0.04 -0.04 2.34 2.31 3ha1A1 GLU 174 HG3 0.04 -0.13 -0.10 -0.04 2.34 2.11 3ha1A1 VAL 175 H 0.05 0.07 0.08 -0.55 8.24 7.89 3ha1A1 VAL 175 HA 0.04 0.13 0.17 -0.75 4.13 3.72 3ha1A1 VAL 175 HB 0.05 -0.11 0.12 -0.04 2.12 2.14 3ha1A1 VAL 175 HG13 -0.03 0.01 -0.12 -0.04 0.97 0.79 3ha1A1 VAL 175 HG23 0.17 0.01 -0.03 -0.04 0.95 1.06 3ha1A1 GLU 176 H 0.03 -0.03 -0.08 -0.55 8.60 7.98 3ha1A1 GLU 176 HA 0.02 0.08 0.46 -0.75 4.29 4.09 3ha1A1 GLU 176 HB2 0.03 0.02 0.11 -0.04 2.09 2.21 3ha1A1 GLU 176 HB3 0.04 -0.06 -0.01 -0.04 1.99 1.92 3ha1A1 GLU 176 HG2 0.02 0.07 0.09 -0.04 2.34 2.47 3ha1A1 GLU 176 HG3 0.02 0.07 0.04 -0.04 2.34 2.42 3ha1A1 THR 177 H 0.02 0.14 0.16 -0.55 8.28 8.05 3ha1A1 THR 177 HA 0.07 0.28 0.95 -0.75 4.39 4.93 3ha1A1 THR 177 HB -0.01 -0.10 0.14 -0.04 4.32 4.31 3ha1A1 THR 177 HG23 -0.03 0.08 -0.05 -0.04 1.22 1.18 3ha1A1 SER 178 H 0.06 0.13 -0.09 -0.55 8.46 8.02 3ha1A1 SER 178 HA 0.03 0.11 0.35 -0.75 4.49 4.23 3ha1A1 SER 178 HB2 0.08 -0.03 0.10 -0.04 3.95 4.05 3ha1A1 SER 178 HB3 0.06 0.07 0.00 -0.04 3.93 4.02 3ha1A1 TYR 179 H 0.21 0.14 -0.13 -0.55 8.29 7.96 3ha1A1 TYR 179 HA 0.03 0.13 0.49 -0.75 4.56 4.45 3ha1A1 TYR 179 HB2 0.04 0.04 0.07 -0.04 3.06 3.17 3ha1A1 TYR 179 HB3 0.08 -0.02 -0.02 -0.04 2.98 2.98 3ha1A1 TYR 179 HD2 0.06 -0.07 -0.11 -0.04 7.15 7.00 3ha1A1 TYR 179 HE2 0.04 -0.00 -0.03 -0.04 6.85 6.81 3ha1A1 PHE 180 H 0.27 0.15 -0.27 -0.55 8.34 7.94 3ha1A1 PHE 180 HA 0.04 -0.05 0.45 -0.75 4.62 4.31 3ha1A1 PHE 180 HB2 -0.05 -0.07 -0.05 -0.04 3.15 2.94 3ha1A1 PHE 180 HB3 -0.16 0.13 0.09 -0.04 3.06 3.08 3ha1A1 PHE 180 HD2 -0.56 -0.07 -0.09 -0.04 7.28 6.51 3ha1A1 PHE 180 HE2 -1.18 0.01 -0.06 -0.04 7.38 6.11 3ha1A1 PHE 180 HZ -0.47 0.09 -0.07 -0.04 7.32 6.83 3ha1A1 ASP 181 H 0.04 0.63 -0.12 -0.55 8.40 8.40 3ha1A1 ASP 181 HA -0.28 0.04 0.38 -0.75 4.63 4.03 3ha1A1 ASP 181 HB2 -0.03 0.11 0.14 -0.04 2.71 2.88 3ha1A1 ASP 181 HB3 -0.06 -0.02 0.00 -0.04 2.70 2.58 3ha1A1 LYS 182 H -0.11 0.42 -0.17 -0.55 8.42 8.01 3ha1A1 LYS 182 HA -0.10 0.03 0.49 -0.75 4.32 3.98 3ha1A1 GLN 183 H -0.25 0.58 0.01 -0.55 8.47 8.26 3ha1A1 GLN 183 HA -0.13 0.24 0.65 -0.75 4.36 4.36 3ha1A1 GLN 183 HB2 0.07 0.10 0.16 -0.04 2.15 2.43 3ha1A1 GLN 183 HB3 0.08 -0.10 -0.06 -0.04 2.02 1.90 3ha1A1 GLN 183 HG2 -0.19 0.22 0.03 -0.04 2.40 2.42 3ha1A1 GLN 183 HG3 -0.18 0.17 0.04 -0.04 2.39 2.38 3ha1A1 GLN 183 HE21 -0.01 0.35 0.17 -0.04 6.97 7.44 3ha1A1 GLN 183 HE22 -0.06 -0.05 -0.25 -0.04 7.69 7.30 3ha1A1 TYR 184 H -0.19 0.66 -0.09 -0.55 8.29 8.11 3ha1A1 TYR 184 HA 0.05 -0.02 0.44 -0.75 4.56 4.27 3ha1A1 TYR 184 HB2 -0.66 -0.01 0.10 -0.04 3.06 2.45 3ha1A1 TYR 184 HB3 -0.31 0.12 0.16 -0.04 2.98 2.91 3ha1A1 TYR 184 HD2 -0.00 -0.01 -0.13 -0.04 7.15 6.96 3ha1A1 TYR 184 HE2 0.10 0.06 -0.01 -0.04 6.85 6.96 3ha1A1 ASN 185 H -0.01 0.57 -0.10 -0.55 8.53 8.44 3ha1A1 ASN 185 HA -0.09 0.02 0.52 -0.75 4.76 4.46 3ha1A1 ASN 185 HB2 -0.07 0.08 0.19 -0.04 2.88 3.04 3ha1A1 ASN 185 HB3 -0.07 -0.06 0.05 -0.04 2.79 2.67 3ha1A1 ASN 185 HD21 -0.02 -0.05 -0.03 -0.04 7.03 6.89 3ha1A1 ASN 185 HD22 -0.04 -0.05 -0.02 -0.04 7.74 7.59 3ha1A1 THR 186 H -0.13 0.69 -0.05 -0.55 8.28 8.25 3ha1A1 THR 186 HA -0.21 -0.02 0.53 -0.75 4.39 3.94 3ha1A1 THR 186 HB -0.12 0.11 0.32 -0.04 4.32 4.59 3ha1A1 THR 186 HG23 -0.10 -0.03 0.03 -0.04 1.22 1.07 3ha1A1 PHE 187 H -0.09 0.79 0.03 -0.55 8.34 8.52 3ha1A1 PHE 187 HA -0.44 -0.04 0.38 -0.75 4.62 3.78 3ha1A1 PHE 187 HB2 -0.28 -0.03 0.11 -0.04 3.15 2.91 3ha1A1 PHE 187 HB3 -0.36 0.14 0.12 -0.04 3.06 2.92 3ha1A1 PHE 187 HD2 -0.34 0.02 -0.06 -0.04 7.28 6.86 3ha1A1 PHE 187 HE2 -0.43 0.02 -0.17 -0.04 7.38 6.77 3ha1A1 PHE 187 HZ -0.27 0.07 -0.21 -0.04 7.32 6.86 3ha1A1 LEU 188 H -0.37 0.52 -0.27 -0.55 8.37 7.70 3ha1A1 LEU 188 HA -0.53 0.01 0.40 -0.75 4.35 3.48 3ha1A1 LEU 188 HB2 -0.28 0.14 0.12 -0.04 1.64 1.58 3ha1A1 LEU 188 HB3 -0.25 -0.06 -0.01 -0.04 1.64 1.28 3ha1A1 LEU 188 HG -0.76 0.28 0.10 -0.04 1.64 1.22 3ha1A1 LEU 188 HD13 0.08 -0.03 -0.02 -0.04 0.93 0.92 3ha1A1 LEU 188 HD23 -0.23 -0.02 -0.01 -0.04 0.89 0.60 3ha1A1 GLU 189 H -0.44 0.50 -0.16 -0.55 8.60 7.95 3ha1A1 GLU 189 HA -0.49 0.02 0.58 -0.75 4.29 3.64 3ha1A1 GLU 189 HB2 -0.34 0.08 0.20 -0.04 2.09 1.99 3ha1A1 GLU 189 HB3 -0.66 0.18 0.23 -0.04 1.99 1.69 3ha1A1 GLU 189 HG2 -0.67 -0.06 -0.05 -0.04 2.34 1.52 3ha1A1 GLU 189 HG3 -0.25 -0.03 0.08 -0.04 2.34 2.10 3ha1A1 GLN 190 H -0.92 0.54 -0.10 -0.55 8.47 7.44 3ha1A1 GLN 190 HA -1.72 -0.05 0.32 -0.75 4.36 2.16 3ha1A1 GLN 190 HB2 -1.05 0.11 0.12 -0.04 2.15 1.29 3ha1A1 GLN 190 HB3 -1.90 -0.07 -0.04 -0.04 2.02 -0.03 3ha1A1 GLN 190 HG2 -0.67 -0.06 -0.07 -0.04 2.40 1.56 3ha1A1 GLN 190 HG3 -0.90 0.14 0.03 -0.04 2.39 1.63 3ha1A1 GLN 190 HE21 0.12 0.28 -0.01 -0.04 6.97 7.32 3ha1A1 GLN 190 HE22 0.21 0.08 -0.01 -0.04 7.69 7.93 3ha1A1 LEU 191 H -0.93 0.63 -0.10 -0.55 8.37 7.43 3ha1A1 LEU 191 HA -0.47 0.02 0.50 -0.75 4.35 3.64 3ha1A1 LEU 191 HB2 -0.59 0.13 0.13 -0.04 1.64 1.27 3ha1A1 LEU 191 HB3 -0.36 -0.02 0.01 -0.04 1.64 1.22 3ha1A1 LEU 191 HG -1.65 0.09 -0.00 -0.04 1.64 0.04 3ha1A1 LEU 191 HD13 -0.50 -0.01 -0.06 -0.04 0.93 0.32 3ha1A1 LEU 191 HD23 -0.37 -0.01 -0.04 -0.04 0.89 0.43 3ha1A1 SER 192 H -0.51 0.42 -0.34 -0.55 8.46 7.48 3ha1A1 SER 192 HA -0.19 0.02 0.46 -0.75 4.49 4.03 3ha1A1 SER 192 HB2 -0.26 0.07 0.17 -0.04 3.95 3.90 3ha1A1 SER 192 HB3 -0.38 0.17 0.24 -0.04 3.93 3.92 3ha1A1 TRP 193 H -0.48 0.52 -0.08 -0.55 7.97 7.39 3ha1A1 TRP 193 HA -0.46 -0.01 0.42 -0.75 4.62 3.83 3ha1A1 TRP 193 HB2 -0.18 0.21 0.11 -0.04 3.23 3.33 3ha1A1 TRP 193 HB3 -0.25 -0.07 -0.04 -0.04 3.23 2.83 3ha1A1 TRP 193 HD1 -0.20 -0.01 -0.01 -0.04 7.22 6.96 3ha1A1 TRP 193 HE1 -0.09 -0.02 -0.01 -0.04 10.20 10.05 3ha1A1 TRP 193 HE3 0.04 0.05 -0.12 -0.04 7.59 7.52 3ha1A1 TRP 193 HZ2 -0.05 0.01 0.01 -0.04 7.44 7.37 3ha1A1 TRP 193 HZ3 0.06 0.08 -0.40 -0.04 7.13 6.82 3ha1A1 TRP 193 HH2 -0.01 0.11 0.09 -0.04 7.19 7.33 3ha1A1 LEU 194 H -0.06 0.45 -0.25 -0.55 8.37 7.97 3ha1A1 LEU 194 HA 0.22 -0.02 0.38 -0.75 4.35 4.17 3ha1A1 LEU 194 HB2 0.17 -0.01 0.10 -0.04 1.64 1.85 3ha1A1 LEU 194 HB3 -0.02 0.14 0.16 -0.04 1.64 1.88 3ha1A1 LEU 194 HG 0.12 0.17 -0.13 -0.04 1.64 1.76 3ha1A1 LEU 194 HD13 0.32 -0.03 -0.05 -0.04 0.93 1.14 3ha1A1 LEU 194 HD23 0.19 -0.02 -0.09 -0.04 0.89 0.93 3ha1A1 LYS 195 H -0.08 0.46 -0.17 -0.55 8.42 8.07 3ha1A1 LYS 195 HA -0.00 0.10 0.29 -0.75 4.32 3.96 3ha1A1 GLU 196 H -0.14 0.59 -0.11 -0.55 8.60 8.39 3ha1A1 GLU 196 HA -0.05 -0.00 0.35 -0.75 4.29 3.83 3ha1A1 GLU 196 HB2 -0.13 -0.02 0.13 -0.04 2.09 2.02 3ha1A1 GLU 196 HB3 -0.46 0.11 0.22 -0.04 1.99 1.81 3ha1A1 GLU 196 HG2 -0.11 0.02 -0.20 -0.04 2.34 2.01 3ha1A1 GLU 196 HG3 -0.05 -0.03 0.06 -0.04 2.34 2.28 3ha1A1 PHE 197 H -0.18 0.53 -0.23 -0.55 8.34 7.90 3ha1A1 PHE 197 HA 0.03 0.05 0.60 -0.75 4.62 4.54 3ha1A1 PHE 197 HB2 0.08 0.05 0.07 -0.04 3.15 3.32 3ha1A1 PHE 197 HB3 0.04 -0.06 0.14 -0.04 3.06 3.15 3ha1A1 PHE 197 HD2 0.08 0.03 -0.14 -0.04 7.28 7.20 3ha1A1 PHE 197 HE2 -0.01 -0.05 -0.04 -0.04 7.38 7.23 3ha1A1 PHE 197 HZ -0.14 -0.11 -0.04 -0.04 7.32 6.99 3ha1A1 GLY 198 H 0.07 0.53 -0.66 -0.55 8.43 7.83 3ha1A1 GLY 198 HA2 0.05 0.02 0.25 -0.51 4.01 3.83 3ha1A1 GLY 198 HA3 0.07 -0.01 0.25 -0.51 4.01 3.81 3ha1A1 VAL 199 H 0.10 0.59 -0.15 -0.55 8.24 8.23 3ha1A1 VAL 199 HA 0.06 0.14 0.96 -0.75 4.13 4.54 3ha1A1 VAL 199 HB 0.14 -0.03 -0.02 -0.04 2.12 2.18 3ha1A1 VAL 199 HG13 0.09 -0.03 -0.28 -0.04 0.97 0.71 3ha1A1 VAL 199 HG23 0.10 0.02 -0.15 -0.04 0.95 0.88 3ha1A1 ASP 200 H 0.04 0.21 0.05 -0.55 8.40 8.14 3ha1A1 ASP 200 HA 0.03 0.13 0.67 -0.75 4.63 4.70 3ha1A1 ASP 200 HB2 0.02 0.03 0.05 -0.04 2.71 2.78 3ha1A1 ASP 200 HB3 0.03 0.04 0.13 -0.04 2.70 2.85 3ha1A1 PRO 201 HA 0.06 0.08 0.17 -0.51 4.44 4.24 3ha1A1 PRO 201 HB2 0.05 -0.02 -0.18 -0.04 2.28 2.09 3ha1A1 PRO 201 HB3 0.04 -0.01 -0.00 -0.04 2.02 2.01 3ha1A1 PRO 201 HG2 -0.02 0.01 0.01 -0.04 2.03 1.99 3ha1A1 PRO 201 HG3 -0.01 0.08 0.03 -0.04 2.03 2.08 3ha1A1 PRO 201 HD2 0.03 0.04 0.11 -0.04 3.68 3.82 3ha1A1 PRO 201 HD3 0.01 0.26 0.26 -0.04 3.65 4.14 3ha1A1 LYS 202 H 0.06 0.05 -0.39 -0.55 8.42 7.59 3ha1A1 LYS 202 HA 0.08 -0.02 0.25 -0.75 4.32 3.87 3ha1A1 LYS 202 HB2 0.06 0.28 0.01 -0.04 1.87 2.18 3ha1A1 LYS 202 HB3 0.07 0.02 -0.06 -0.04 1.79 1.77 3ha1A1 LYS 202 HG2 0.03 -0.09 -0.10 -0.04 1.46 1.26 3ha1A1 LYS 202 HG3 0.02 0.19 -0.42 -0.04 1.46 1.21 3ha1A1 LYS 202 HD2 -0.03 -0.02 -0.15 -0.04 1.69 1.44 3ha1A1 LYS 202 HD3 -0.03 0.08 -0.18 -0.04 1.68 1.51 3ha1A1 LYS 202 HE2 -0.01 -0.03 -0.02 -0.04 2.99 2.89 3ha1A1 LYS 202 HE3 0.00 -0.08 -0.04 -0.04 2.99 2.83 3ha1A1 PHE 203 H 0.18 0.56 -0.38 -0.55 8.34 8.14 3ha1A1 PHE 203 HA 0.11 0.06 0.79 -0.75 4.62 4.84 3ha1A1 PHE 203 HB2 0.05 0.08 -0.24 -0.04 3.15 3.00 3ha1A1 PHE 203 HB3 0.04 0.23 0.25 -0.04 3.06 3.54 3ha1A1 PHE 203 HD2 0.17 -0.02 -0.04 -0.04 7.28 7.35 3ha1A1 PHE 203 HE2 0.17 -0.00 -0.14 -0.04 7.38 7.37 3ha1A1 PHE 203 HZ -0.19 -0.05 -0.18 -0.04 7.32 6.86 3ha1A1 VAL 204 H -0.09 0.17 0.19 -0.55 8.24 7.95 3ha1A1 VAL 204 HA 0.04 0.40 1.10 -0.75 4.13 4.92 3ha1A1 VAL 204 HB 0.08 -0.09 0.09 -0.04 2.12 2.16 3ha1A1 VAL 204 HG13 -0.32 0.01 -0.12 -0.04 0.97 0.49 3ha1A1 VAL 204 HG23 0.04 0.00 -0.18 -0.04 0.95 0.76 3ha1A1 HIS 205 H -0.22 0.53 0.38 -0.55 8.41 8.56 3ha1A1 HIS 205 HA 0.04 0.25 0.83 -0.75 4.63 5.00 3ha1A1 HIS 205 HB2 0.05 -0.05 -0.12 -0.04 3.26 3.11 3ha1A1 HIS 205 HB3 0.03 0.05 -0.13 -0.04 3.20 3.11 3ha1A1 HIS 205 HD2 0.16 0.03 -0.37 -0.04 6.97 6.74 3ha1A1 HIS 205 HE1 -0.92 -0.04 -0.24 -0.04 7.75 6.51 3ha1A1 THR 206 H 0.19 0.20 0.28 -0.55 8.28 8.40 3ha1A1 THR 206 HA -0.22 0.32 1.04 -0.75 4.39 4.77 3ha1A1 THR 206 HB -0.44 -0.13 -0.01 -0.04 4.32 3.69 3ha1A1 THR 206 HG23 -0.67 -0.02 -0.23 -0.04 1.22 0.26 3ha1A1 ALA 207 H 0.26 0.16 0.29 -0.55 8.40 8.55 3ha1A1 ALA 207 HA 0.49 -0.03 0.43 -0.75 4.34 4.47 3ha1A1 ALA 207 HB3 0.30 0.05 -0.01 -0.04 1.41 1.72 3ha1A1 ASN 208 H 0.30 -0.03 0.25 -0.55 8.53 8.50 3ha1A1 ASN 208 HA 0.20 0.63 0.91 -0.75 4.76 5.75 3ha1A1 ASN 208 HB2 0.25 -0.13 0.28 -0.04 2.88 3.24 3ha1A1 ASN 208 HB3 0.32 0.12 0.15 -0.04 2.79 3.34 3ha1A1 ASN 208 HD21 0.09 -0.05 0.05 -0.04 7.03 7.08 3ha1A1 ASN 208 HD22 0.11 0.12 0.10 -0.04 7.74 8.02 3ha1A1 SER 209 H 0.16 0.05 0.24 -0.55 8.46 8.37 3ha1A1 SER 209 HA 0.07 0.21 0.35 -0.75 4.49 4.37 3ha1A1 SER 209 HB2 0.10 -0.05 0.19 -0.04 3.95 4.15 3ha1A1 SER 209 HB3 0.02 0.19 0.04 -0.04 3.93 4.14 3ha1A1 ALA 210 H 0.09 -0.00 -0.09 -0.55 8.40 7.85 3ha1A1 ALA 210 HA -0.07 0.17 0.26 -0.75 4.34 3.94 3ha1A1 ALA 210 HB3 0.01 0.04 -0.18 -0.04 1.41 1.23 3ha1A1 ALA 211 H 0.09 -0.10 -0.22 -0.55 8.40 7.62 3ha1A1 ALA 211 HA -0.17 0.14 0.46 -0.75 4.34 4.02 3ha1A1 ALA 211 HB3 0.27 -0.04 0.08 -0.04 1.41 1.69 3ha1A1 THR 212 H 0.10 0.45 -0.29 -0.55 8.28 8.00 3ha1A1 THR 212 HA 0.17 0.02 0.24 -0.75 4.39 4.06 3ha1A1 THR 212 HB 0.10 0.04 0.05 -0.04 4.32 4.47 3ha1A1 THR 212 HG23 0.20 0.01 -0.20 -0.04 1.22 1.20 3ha1A1 LEU 213 H -0.04 0.35 -0.22 -0.55 8.37 7.91 3ha1A1 LEU 213 HA -0.10 0.15 0.45 -0.75 4.35 4.10 3ha1A1 LEU 213 HB2 -0.19 -0.04 0.07 -0.04 1.64 1.45 3ha1A1 LEU 213 HB3 -0.35 -0.00 0.14 -0.04 1.64 1.39 3ha1A1 LEU 213 HG -0.08 0.02 0.02 -0.04 1.64 1.57 3ha1A1 LEU 213 HD13 -0.25 -0.05 -0.05 -0.04 0.93 0.54 3ha1A1 LEU 213 HD23 -0.31 0.02 -0.07 -0.04 0.89 0.49 3ha1A1 ARG 214 H -0.24 0.15 -0.49 -0.55 8.46 7.33 3ha1A1 ARG 214 HA -0.23 0.27 0.96 -0.75 4.34 4.59 3ha1A1 ARG 214 HB2 -1.51 -0.04 0.06 -0.04 1.90 0.37 3ha1A1 ARG 214 HB3 -1.08 -0.08 -0.12 -0.04 1.80 0.48 3ha1A1 ARG 214 HG2 -0.29 0.07 -0.13 -0.04 1.67 1.28 3ha1A1 ARG 214 HG3 -0.36 -0.01 -0.17 -0.04 1.67 1.10 3ha1A1 ARG 214 HD2 -0.23 -0.13 -0.09 -0.04 3.22 2.73 3ha1A1 ARG 214 HD3 -0.68 0.01 -0.07 -0.04 3.22 2.44 3ha1A1 PHE 215 H -0.13 0.52 0.16 -0.55 8.34 8.33 3ha1A1 PHE 215 HA -0.07 0.18 0.84 -0.75 4.62 4.82 3ha1A1 PHE 215 HB2 -0.06 -0.02 0.03 -0.04 3.15 3.06 3ha1A1 PHE 215 HB3 -0.05 0.05 -0.03 -0.04 3.06 2.98 3ha1A1 PHE 215 HD2 -0.37 -0.00 -0.03 -0.04 7.28 6.83 3ha1A1 PHE 215 HE2 -0.66 -0.08 -0.03 -0.04 7.38 6.56 3ha1A1 PHE 215 HZ -0.47 0.10 -0.06 -0.04 7.32 6.85 3ha1A1 GLN 216 H 0.12 0.11 0.17 -0.55 8.47 8.33 3ha1A1 GLN 216 HA 0.03 0.12 0.55 -0.75 4.36 4.31 3ha1A1 GLY 217 H -0.02 0.18 0.20 -0.55 8.43 8.24 3ha1A1 GLY 217 HA2 -0.09 0.02 0.35 -0.51 4.01 3.79 3ha1A1 GLY 217 HA3 -0.08 0.08 0.19 -0.51 4.01 3.69 3ha1A1 ILE 218 H 0.06 0.14 -0.23 -0.55 8.25 7.68 3ha1A1 ILE 218 HA 0.28 0.19 0.85 -0.75 4.18 4.75 3ha1A1 ILE 218 HB 0.27 0.12 -0.29 -0.04 1.89 1.94 3ha1A1 ILE 218 HG12 0.45 -0.07 -0.08 -0.04 1.49 1.75 3ha1A1 ILE 218 HG13 0.56 -0.12 -0.03 -0.04 1.21 1.58 3ha1A1 ILE 218 HG23 0.26 0.04 -0.25 -0.04 0.93 0.94 3ha1A1 ILE 218 HD13 0.54 0.02 -0.01 -0.04 0.88 1.40 3ha1A1 THR 219 H 0.05 0.01 0.01 -0.55 8.28 7.80 3ha1A1 THR 219 HA 0.22 0.07 0.47 -0.75 4.39 4.40 3ha1A1 THR 219 HB 0.09 0.12 -0.15 -0.04 4.32 4.33 3ha1A1 THR 219 HG23 0.10 0.01 0.00 -0.04 1.22 1.29 3ha1A1 PHE 220 H -0.22 -0.01 -0.25 -0.55 8.34 7.32 3ha1A1 PHE 220 HA 0.07 -0.01 0.25 -0.75 4.62 4.18 3ha1A1 PHE 220 HB2 0.09 0.14 -0.20 -0.04 3.15 3.13 3ha1A1 PHE 220 HB3 0.05 -0.06 0.13 -0.04 3.06 3.14 3ha1A1 PHE 220 HD2 0.13 0.10 -0.21 -0.04 7.28 7.26 3ha1A1 PHE 220 HE2 0.19 -0.01 -0.05 -0.04 7.38 7.47 3ha1A1 PHE 220 HZ 0.17 -0.01 -0.05 -0.04 7.32 7.39 3ha1A1 ASN 221 H 0.15 0.40 0.40 -0.55 8.53 8.93 3ha1A1 ASN 221 HA 0.06 0.21 0.99 -0.75 4.76 5.27 3ha1A1 ASN 221 HB2 -0.51 -0.01 0.18 -0.04 2.88 2.49 3ha1A1 ASN 221 HB3 -0.02 0.05 0.21 -0.04 2.79 3.00 3ha1A1 ASN 221 HD21 0.10 -0.03 -0.00 -0.04 7.03 7.05 3ha1A1 ASN 221 HD22 0.10 0.11 0.09 -0.04 7.74 7.99 3ha1A1 ALA 222 H 0.08 0.34 0.32 -0.55 8.40 8.59 3ha1A1 ALA 222 HA 0.11 0.20 0.59 -0.75 4.34 4.48 3ha1A1 ALA 222 HB3 0.12 -0.00 -0.13 -0.04 1.41 1.35 3ha1A1 VAL 223 H 0.18 0.69 0.30 -0.55 8.24 8.87 3ha1A1 VAL 223 HA 0.23 0.00 0.87 -0.75 4.13 4.47 3ha1A1 VAL 223 HB 0.18 -0.03 0.01 -0.04 2.12 2.24 3ha1A1 VAL 223 HG13 0.18 0.01 -0.10 -0.04 0.97 1.03 3ha1A1 VAL 223 HG23 0.14 0.04 -0.11 -0.04 0.95 0.99 3ha1A1 ARG 224 H 0.17 0.77 0.22 -0.55 8.46 9.07 3ha1A1 ARG 224 HA 0.17 0.20 0.88 -0.75 4.34 4.83 3ha1A1 ARG 224 HB2 0.06 -0.05 0.04 -0.04 1.90 1.91 3ha1A1 ARG 224 HB3 -0.06 -0.05 -0.11 -0.04 1.80 1.54 3ha1A1 ARG 224 HG2 -0.61 0.07 -0.29 -0.04 1.67 0.79 3ha1A1 ARG 224 HG3 -0.00 -0.02 -0.31 -0.04 1.67 1.29 3ha1A1 ARG 224 HD2 -0.50 -0.03 -0.20 -0.04 3.22 2.45 3ha1A1 ARG 224 HD3 -0.35 0.05 -0.24 -0.04 3.22 2.64 3ha1A1 ILE 225 H 0.10 0.87 0.22 -0.55 8.25 8.89 3ha1A1 ILE 225 HA 0.08 -0.04 0.74 -0.75 4.18 4.20 3ha1A1 ILE 225 HB -0.00 0.12 0.12 -0.04 1.89 2.09 3ha1A1 ILE 225 HG12 0.09 0.06 -0.24 -0.04 1.49 1.37 3ha1A1 ILE 225 HG13 0.06 0.12 -0.14 -0.04 1.21 1.20 3ha1A1 ILE 225 HG23 -0.04 -0.01 -0.21 -0.04 0.93 0.64 3ha1A1 ILE 225 HD13 0.10 -0.00 -0.33 -0.04 0.88 0.61 3ha1A1 GLY 226 H 0.10 -0.02 0.13 -0.55 8.43 8.09 3ha1A1 GLY 226 HA2 -0.17 0.41 0.99 -0.51 4.01 4.74 3ha1A1 GLY 226 HA3 0.03 -0.00 0.43 -0.51 4.01 3.96 3ha1A1 ILE 227 H 0.18 0.08 0.16 -0.55 8.25 8.12 3ha1A1 ILE 227 HA 0.10 0.12 0.13 -0.75 4.18 3.78 3ha1A1 ILE 227 HB -0.11 -0.03 0.12 -0.04 1.89 1.83 3ha1A1 ILE 227 HG12 -0.58 0.02 -0.20 -0.04 1.49 0.69 3ha1A1 ILE 227 HG13 -0.13 0.06 -0.19 -0.04 1.21 0.91 3ha1A1 ILE 227 HG23 0.04 0.02 -0.04 -0.04 0.93 0.91 3ha1A1 ILE 227 HD13 -0.29 -0.00 -0.08 -0.04 0.88 0.48 3ha1A1 ALA 228 H -0.00 -0.06 -0.14 -0.55 8.40 7.65 3ha1A1 ALA 228 HA -0.03 0.18 0.43 -0.75 4.34 4.17 3ha1A1 ALA 228 HB3 -0.02 0.02 0.02 -0.04 1.41 1.38 3ha1A1 MET 229 H -0.18 0.29 -0.29 -0.55 8.47 7.73 3ha1A1 MET 229 HA -0.17 0.10 0.41 -0.75 4.52 4.11 3ha1A1 MET 229 HB2 -0.25 -0.02 0.00 -0.04 2.15 1.83 3ha1A1 MET 229 HB3 -0.55 0.24 0.06 -0.04 2.03 1.74 3ha1A1 MET 229 HG2 -1.16 -0.02 -0.25 -0.04 2.63 1.15 3ha1A1 MET 229 HG3 -0.40 0.02 -0.03 -0.04 2.56 2.11 3ha1A1 MET 229 HE3 -0.38 -0.05 -0.10 -0.04 2.10 1.53 3ha1A1 TYR 230 H -0.25 0.20 -0.31 -0.55 8.29 7.39 3ha1A1 TYR 230 HA -0.22 0.12 0.46 -0.75 4.56 4.17 3ha1A1 TYR 230 HB2 -0.15 -0.03 0.03 -0.04 3.06 2.87 3ha1A1 TYR 230 HB3 -0.27 -0.03 0.11 -0.04 2.98 2.75 3ha1A1 TYR 230 HD2 -0.95 -0.09 -0.23 -0.04 7.15 5.85 3ha1A1 TYR 230 HE2 -0.82 -0.06 -0.14 -0.04 6.85 5.79 3ha1A1 GLY 231 H -0.02 0.21 -0.63 -0.55 8.43 7.45 3ha1A1 GLY 231 HA2 0.02 0.05 0.07 -0.51 4.01 3.64 3ha1A1 GLY 231 HA3 0.05 0.27 -0.18 -0.51 4.01 3.65 3ha1A1 LEU 232 H 0.02 0.40 -0.08 -0.55 8.37 8.16 3ha1A1 LEU 232 HA 0.02 0.19 0.87 -0.75 4.35 4.67 3ha1A1 LEU 232 HB2 -0.02 -0.03 -0.12 -0.04 1.64 1.43 3ha1A1 LEU 232 HB3 -0.02 -0.05 -0.10 -0.04 1.64 1.44 3ha1A1 LEU 232 HG 0.09 0.13 -0.42 -0.04 1.64 1.40 3ha1A1 LEU 232 HD13 0.06 -0.02 -0.09 -0.04 0.93 0.84 3ha1A1 LEU 232 HD23 0.08 0.01 -0.01 -0.04 0.89 0.93 3ha1A1 SER 233 H -0.01 0.11 0.06 -0.55 8.46 8.07 3ha1A1 SER 233 HA -0.05 0.18 0.48 -0.75 4.49 4.35 3ha1A1 SER 233 HB2 -0.05 0.09 0.07 -0.04 3.95 4.02 3ha1A1 SER 233 HB3 -0.02 -0.09 -0.02 -0.04 3.93 3.76 3ha1A1 PRO 234 HA 0.16 0.01 0.46 -0.51 4.44 4.56 3ha1A1 PRO 234 HB2 0.06 0.08 -0.00 -0.04 2.28 2.38 3ha1A1 PRO 234 HB3 0.17 -0.08 0.07 -0.04 2.02 2.15 3ha1A1 PRO 234 HG2 0.01 0.07 -0.06 -0.04 2.03 2.01 3ha1A1 PRO 234 HG3 0.07 -0.12 0.05 -0.04 2.03 1.99 3ha1A1 PRO 234 HD2 -0.04 0.19 0.12 -0.04 3.68 3.91 3ha1A1 PRO 234 HD3 -0.03 0.26 0.17 -0.04 3.65 4.01 3ha1A1 SER 235 H 0.03 0.26 -0.16 -0.55 8.46 8.04 3ha1A1 SER 235 HA 0.07 0.15 0.43 -0.75 4.49 4.38 3ha1A1 SER 235 HB2 0.04 -0.07 0.13 -0.04 3.95 4.00 3ha1A1 SER 235 HB3 0.06 0.10 -0.06 -0.04 3.93 3.99 3ha1A1 VAL 236 H 0.02 0.20 0.16 -0.55 8.24 8.07 3ha1A1 VAL 236 HA -0.01 0.10 0.38 -0.75 4.13 3.84 3ha1A1 VAL 236 HB 0.01 0.00 0.15 -0.04 2.12 2.24 3ha1A1 VAL 236 HG13 -0.01 0.03 -0.05 -0.04 0.97 0.90 3ha1A1 VAL 236 HG23 0.01 0.01 0.07 -0.04 0.95 0.99 3ha1A1 GLU 237 H 0.01 0.05 -0.11 -0.55 8.60 8.01 3ha1A1 GLU 237 HA -0.01 0.14 0.20 -0.75 4.29 3.86 3ha1A1 GLU 237 HB2 0.05 0.03 0.09 -0.04 2.09 2.22 3ha1A1 GLU 237 HB3 0.02 -0.01 0.10 -0.04 1.99 2.05 3ha1A1 GLU 237 HG2 0.03 -0.05 0.09 -0.04 2.34 2.37 3ha1A1 GLU 237 HG3 0.05 0.10 -0.15 -0.04 2.34 2.30 3ha1A1 ILE 238 H 0.00 0.03 -0.33 -0.55 8.25 7.40 3ha1A1 ILE 238 HA 0.14 0.25 0.87 -0.75 4.18 4.69 3ha1A1 ILE 238 HB 0.01 0.09 -0.01 -0.04 1.89 1.94 3ha1A1 ILE 238 HG12 -0.00 -0.12 -0.04 -0.04 1.49 1.29 3ha1A1 ILE 238 HG13 -0.04 0.08 -0.30 -0.04 1.21 0.91 3ha1A1 ILE 238 HG23 0.04 0.05 -0.28 -0.04 0.93 0.70 3ha1A1 ILE 238 HD13 -0.05 0.00 -0.07 -0.04 0.88 0.72 3ha1A1 ARG 239 H -0.08 0.22 -0.28 -0.55 8.46 7.77 3ha1A1 ARG 239 HA -0.11 -0.04 0.34 -0.75 4.34 3.78 3ha1A1 ARG 239 HB2 -0.07 -0.03 0.18 -0.04 1.90 1.94 3ha1A1 ARG 239 HB3 -0.11 0.12 0.13 -0.04 1.80 1.90 3ha1A1 ARG 239 HG2 -0.09 0.06 -0.05 -0.04 1.67 1.54 3ha1A1 ARG 239 HG3 -0.08 -0.04 0.06 -0.04 1.67 1.57 3ha1A1 ARG 239 HD2 -0.03 -0.00 0.02 -0.04 3.22 3.16 3ha1A1 ARG 239 HD3 -0.03 -0.11 0.01 -0.04 3.22 3.05 3ha1A1 PRO 240 HA -0.27 0.05 0.18 -0.51 4.44 3.88 3ha1A1 PRO 240 HB2 -1.41 0.05 -0.03 -0.04 2.28 0.84 3ha1A1 PRO 240 HB3 -0.45 -0.01 0.08 -0.04 2.02 1.61 3ha1A1 PRO 240 HG2 -0.38 0.03 0.03 -0.04 2.03 1.67 3ha1A1 PRO 240 HG3 -0.25 -0.02 0.02 -0.04 2.03 1.75 3ha1A1 PRO 240 HD2 -0.31 0.19 -0.40 -0.04 3.68 3.12 3ha1A1 PRO 240 HD3 -0.19 0.11 0.08 -0.04 3.65 3.61 3ha1A1 PHE 241 H -0.26 0.54 -0.63 -0.55 8.34 7.44 3ha1A1 PHE 241 HA -0.07 0.17 0.67 -0.75 4.62 4.63 3ha1A1 PHE 241 HB2 -0.11 0.02 0.03 -0.04 3.15 3.05 3ha1A1 PHE 241 HB3 -0.09 -0.01 0.10 -0.04 3.06 3.02 3ha1A1 PHE 241 HD2 -0.05 0.04 -0.06 -0.04 7.28 7.17 3ha1A1 PHE 241 HE2 -0.02 -0.03 -0.02 -0.04 7.38 7.27 3ha1A1 PHE 241 HZ -0.02 -0.06 -0.02 -0.04 7.32 7.19 3ha1A1 LEU 242 H -0.13 0.33 -0.07 -0.55 8.37 7.95 3ha1A1 LEU 242 HA -0.23 0.11 0.44 -0.75 4.35 3.92 3ha1A1 LEU 242 HB2 -0.22 0.05 0.10 -0.04 1.64 1.54 3ha1A1 LEU 242 HB3 -0.39 -0.01 0.07 -0.04 1.64 1.27 3ha1A1 LEU 242 HG -0.15 0.11 0.00 -0.04 1.64 1.56 3ha1A1 LEU 242 HD13 -0.17 -0.05 -0.02 -0.04 0.93 0.65 3ha1A1 LEU 242 HD23 -0.18 -0.03 -0.10 -0.04 0.89 0.54 3ha1A1 PRO 243 HA -0.09 0.10 0.37 -0.51 4.44 4.32 3ha1A1 PRO 243 HB2 -0.11 -0.01 0.02 -0.04 2.28 2.14 3ha1A1 PRO 243 HB3 -0.12 0.05 0.12 -0.04 2.02 2.03 3ha1A1 PRO 243 HG2 -0.99 -0.04 0.04 -0.04 2.03 1.00 3ha1A1 PRO 243 HG3 -1.37 0.13 0.12 -0.04 2.03 0.87 3ha1A1 PRO 243 HD2 -0.68 -0.05 0.22 -0.04 3.68 3.13 3ha1A1 PRO 243 HD3 -0.39 0.38 0.32 -0.04 3.65 3.91 3ha1A1 PHE 244 H -0.72 0.20 -0.19 -0.55 8.34 7.08 3ha1A1 PHE 244 HA -0.09 0.12 0.55 -0.75 4.62 4.45 3ha1A1 PHE 244 HB2 -0.17 -0.05 0.02 -0.04 3.15 2.91 3ha1A1 PHE 244 HB3 -0.14 0.12 -0.14 -0.04 3.06 2.86 3ha1A1 PHE 244 HD2 -0.13 0.14 -0.40 -0.04 7.28 6.85 3ha1A1 PHE 244 HE2 -0.19 0.02 -0.13 -0.04 7.38 7.04 3ha1A1 PHE 244 HZ -0.05 -0.05 -0.17 -0.04 7.32 7.01 3ha1A1 LYS 245 H 0.12 0.12 0.06 -0.55 8.42 8.17 3ha1A1 LYS 245 HA -0.02 0.02 0.33 -0.75 4.32 3.89 3ha1A1 LEU 246 H -0.04 0.08 0.16 -0.55 8.37 8.02 3ha1A1 LEU 246 HA 0.15 0.14 0.73 -0.75 4.35 4.62 3ha1A1 LEU 246 HB2 -0.03 -0.05 -0.07 -0.04 1.64 1.45 3ha1A1 LEU 246 HB3 0.01 -0.07 -0.21 -0.04 1.64 1.34 3ha1A1 LEU 246 HG -0.20 0.10 -0.05 -0.04 1.64 1.45 3ha1A1 LEU 246 HD13 -0.10 -0.04 -0.30 -0.04 0.93 0.45 3ha1A1 LEU 246 HD23 -0.03 0.05 -0.06 -0.04 0.89 0.81 3ha1A1 GLU 247 H 0.08 0.17 0.06 -0.55 8.60 8.37 3ha1A1 GLU 247 HA 0.02 0.20 0.86 -0.75 4.29 4.62 3ha1A1 GLU 247 HB2 0.05 -0.00 0.13 -0.04 2.09 2.23 3ha1A1 GLU 247 HB3 0.04 -0.00 -0.01 -0.04 1.99 1.99 3ha1A1 GLU 247 HG2 0.06 0.01 -0.16 -0.04 2.34 2.21 3ha1A1 GLU 247 HG3 0.12 0.05 -0.23 -0.04 2.34 2.23 3ha1A1 PRO 248 HA 0.11 0.19 0.50 -0.51 4.44 4.72 3ha1A1 PRO 248 HB2 0.17 -0.01 0.07 -0.04 2.28 2.47 3ha1A1 PRO 248 HB3 0.16 -0.08 0.10 -0.04 2.02 2.16 3ha1A1 PRO 248 HG2 -0.02 -0.06 0.09 -0.04 2.03 1.99 3ha1A1 PRO 248 HG3 0.05 0.09 0.10 -0.04 2.03 2.23 3ha1A1 PRO 248 HD2 -0.04 0.02 0.21 -0.04 3.68 3.83 3ha1A1 PRO 248 HD3 -0.01 0.43 0.27 -0.04 3.65 4.29 3ha1A1 ALA 249 H 0.21 0.49 0.32 -0.55 8.40 8.87 3ha1A1 ALA 249 HA 0.13 0.09 0.81 -0.75 4.34 4.62 3ha1A1 ALA 249 HB3 0.22 0.00 0.13 -0.04 1.41 1.72 3ha1A1 LEU 250 H 0.21 0.06 0.05 -0.55 8.37 8.14 3ha1A1 LEU 250 HA -0.02 0.38 0.88 -0.75 4.35 4.85 3ha1A1 LEU 250 HB2 -0.64 0.00 -0.01 -0.04 1.64 0.94 3ha1A1 LEU 250 HB3 -0.06 -0.12 0.11 -0.04 1.64 1.53 3ha1A1 LEU 250 HG -0.21 0.13 -0.01 -0.04 1.64 1.50 3ha1A1 LEU 250 HD13 -0.48 0.01 -0.09 -0.04 0.93 0.32 3ha1A1 LEU 250 HD23 -0.11 -0.05 -0.36 -0.04 0.89 0.32 3ha1A1 SER 251 H -0.05 0.72 0.47 -0.55 8.46 9.05 3ha1A1 SER 251 HA -0.14 0.11 0.67 -0.75 4.49 4.38 3ha1A1 SER 251 HB2 -0.42 0.09 0.18 -0.04 3.95 3.76 3ha1A1 SER 251 HB3 0.00 -0.09 0.09 -0.04 3.93 3.89 3ha1A1 LEU 252 H -0.50 0.63 0.40 -0.55 8.37 8.35 3ha1A1 LEU 252 HA -0.43 0.29 1.13 -0.75 4.35 4.59 3ha1A1 LEU 252 HB2 -0.17 0.08 -0.13 -0.04 1.64 1.37 3ha1A1 LEU 252 HB3 -0.21 -0.18 0.12 -0.04 1.64 1.33 3ha1A1 LEU 252 HG -0.33 -0.04 -0.25 -0.04 1.64 0.97 3ha1A1 LEU 252 HD13 -0.17 0.07 -0.08 -0.04 0.93 0.71 3ha1A1 LEU 252 HD23 0.01 -0.01 -0.15 -0.04 0.89 0.71 3ha1A1 HIS 253 H -0.72 0.77 0.43 -0.55 8.41 8.35 3ha1A1 HIS 253 HA -0.47 0.17 1.16 -0.75 4.63 4.73 3ha1A1 HIS 253 HB2 -2.05 -0.01 0.01 -0.04 3.26 1.18 3ha1A1 HIS 253 HB3 -0.71 0.04 0.11 -0.04 3.20 2.60 3ha1A1 HIS 253 HD2 -0.63 0.07 -0.15 -0.04 6.97 6.21 3ha1A1 HIS 253 HE1 -0.08 -0.00 -0.05 -0.04 7.75 7.57 3ha1A1 THR 254 H -0.30 0.76 0.46 -0.55 8.28 8.66 3ha1A1 THR 254 HA -0.16 0.30 0.83 -0.75 4.39 4.61 3ha1A1 THR 254 HB -0.29 -0.00 -0.19 -0.04 4.32 3.80 3ha1A1 THR 254 HG23 -0.27 0.01 -0.26 -0.04 1.22 0.66 3ha1A1 LYS 255 H -0.00 0.23 0.26 -0.55 8.42 8.35 3ha1A1 LYS 255 HA 0.00 0.29 0.82 -0.75 4.32 4.68 3ha1A1 LYS 255 HB2 0.10 -0.05 0.07 -0.04 1.87 1.95 3ha1A1 LYS 255 HB3 0.05 -0.05 -0.10 -0.04 1.79 1.65 3ha1A1 LYS 255 HG2 0.16 0.07 -0.19 -0.04 1.46 1.46 3ha1A1 LYS 255 HG3 0.36 -0.02 -0.22 -0.04 1.46 1.54 3ha1A1 LYS 255 HD2 0.13 -0.07 -0.00 -0.04 1.69 1.70 3ha1A1 LYS 255 HD3 0.09 0.10 0.01 -0.04 1.68 1.84 3ha1A1 LYS 255 HE2 0.40 -0.01 -0.09 -0.04 2.99 3.25 3ha1A1 LYS 255 HE3 0.13 -0.04 -0.05 -0.04 2.99 2.99 3ha1A1 VAL 256 H -0.02 0.62 0.11 -0.55 8.24 8.40 3ha1A1 VAL 256 HA -0.05 0.09 0.61 -0.75 4.13 4.02 3ha1A1 VAL 256 HB -0.02 -0.13 0.24 -0.04 2.12 2.16 3ha1A1 VAL 256 HG13 -0.02 0.00 -0.17 -0.04 0.97 0.74 3ha1A1 VAL 256 HG23 -0.04 0.05 -0.05 -0.04 0.95 0.87 3ha1A1 ALA 257 H -0.02 0.66 0.56 -0.55 8.40 9.05 3ha1A1 ALA 257 HA 0.02 0.07 0.73 -0.75 4.34 4.41 3ha1A1 ALA 257 HB3 -0.00 -0.01 0.05 -0.04 1.41 1.41 3ha1A1 HIS 258 H 0.07 0.33 0.32 -0.55 8.41 8.58 3ha1A1 HIS 258 HA 0.01 0.14 0.32 -0.75 4.63 4.35 3ha1A1 HIS 258 HB2 0.00 0.09 0.02 -0.04 3.26 3.33 3ha1A1 HIS 258 HB3 0.01 -0.09 0.01 -0.04 3.20 3.08 3ha1A1 HIS 258 HD2 0.02 -0.03 -0.14 -0.04 6.97 6.77 3ha1A1 HIS 258 HE1 0.04 0.00 0.05 -0.04 7.75 7.79 3ha1A1 ILE 259 H -0.39 0.27 0.18 -0.55 8.25 7.77 3ha1A1 ILE 259 HA -0.12 0.30 0.87 -0.75 4.18 4.48 3ha1A1 ILE 259 HB -0.03 0.01 -0.14 -0.04 1.89 1.69 3ha1A1 ILE 259 HG12 0.35 -0.01 -0.13 -0.04 1.49 1.66 3ha1A1 ILE 259 HG13 0.12 0.04 -0.11 -0.04 1.21 1.22 3ha1A1 ILE 259 HG23 -0.01 0.04 -0.05 -0.04 0.93 0.87 3ha1A1 ILE 259 HD13 -0.12 0.03 -0.01 -0.04 0.88 0.74 3ha1A1 LYS 260 H 0.09 0.53 0.32 -0.55 8.42 8.80 3ha1A1 LYS 260 HA 0.05 0.10 0.83 -0.75 4.32 4.54 3ha1A1 LYS 260 HB2 -0.03 0.05 -0.06 -0.04 1.87 1.78 3ha1A1 LYS 260 HB3 -0.12 0.06 -0.20 -0.04 1.79 1.50 3ha1A1 LYS 260 HG2 -0.11 -0.00 -0.17 -0.04 1.46 1.13 3ha1A1 LYS 260 HG3 -0.02 -0.03 -0.12 -0.04 1.46 1.25 3ha1A1 LYS 260 HD2 0.03 0.02 -0.17 -0.04 1.69 1.54 3ha1A1 LYS 260 HD3 0.15 -0.01 -0.13 -0.04 1.68 1.65 3ha1A1 LYS 260 HE2 0.04 -0.01 -0.13 -0.04 2.99 2.85 3ha1A1 LYS 260 HE3 0.05 0.00 -0.10 -0.04 2.99 2.90 3ha1A1 GLN 261 H -0.23 0.16 0.16 -0.55 8.47 8.02 3ha1A1 GLN 261 HA -0.62 0.36 0.84 -0.75 4.36 4.19 3ha1A1 GLN 261 HB2 -0.59 -0.04 0.11 -0.04 2.15 1.59 3ha1A1 GLN 261 HB3 -0.47 -0.02 -0.16 -0.04 2.02 1.34 3ha1A1 GLN 261 HG2 -1.31 0.06 -0.30 -0.04 2.40 0.81 3ha1A1 GLN 261 HG3 -3.38 -0.04 -0.17 -0.04 2.39 -1.24 3ha1A1 GLN 261 HE21 -0.20 -0.01 -0.07 -0.04 6.97 6.65 3ha1A1 GLN 261 HE22 -0.52 0.07 -0.16 -0.04 7.69 7.04 3ha1A1 VAL 262 H -0.22 0.71 0.30 -0.55 8.24 8.48 3ha1A1 VAL 262 HA -0.09 0.12 0.75 -0.75 4.13 4.16 3ha1A1 VAL 262 HB -0.06 -0.02 0.12 -0.04 2.12 2.12 3ha1A1 VAL 262 HG13 -0.03 0.06 -0.15 -0.04 0.97 0.81 3ha1A1 VAL 262 HG23 -0.02 0.02 -0.18 -0.04 0.95 0.72 3ha1A1 ILE 263 H -0.08 0.13 0.13 -0.55 8.25 7.88 3ha1A1 ILE 263 HA -0.09 -0.02 0.35 -0.75 4.18 3.67 3ha1A1 ILE 263 HB -0.05 0.03 0.04 -0.04 1.89 1.86 3ha1A1 ILE 263 HG12 -0.04 -0.05 0.04 -0.04 1.49 1.40 3ha1A1 ILE 263 HG13 -0.05 0.01 -0.27 -0.04 1.21 0.87 3ha1A1 ILE 263 HG23 -0.06 0.01 0.05 -0.04 0.93 0.88 3ha1A1 ILE 263 HD13 -0.03 0.01 -0.05 -0.04 0.88 0.77 3ha1A1 LYS 264 H -0.06 0.01 -0.04 -0.55 8.42 7.78 3ha1A1 LYS 264 HA -0.07 0.14 0.00 -0.75 4.32 3.63 3ha1A1 LYS 264 HB2 -0.05 -0.14 -0.16 -0.04 1.87 1.48 3ha1A1 LYS 264 HB3 -0.04 -0.04 0.01 -0.04 1.79 1.68 3ha1A1 LYS 264 HG2 -0.05 0.03 -0.27 -0.04 1.46 1.13 3ha1A1 LYS 264 HG3 -0.05 0.09 -0.35 -0.04 1.46 1.11 3ha1A1 LYS 264 HD2 -0.03 -0.01 -0.00 -0.04 1.69 1.61 3ha1A1 LYS 264 HD3 -0.03 -0.07 -0.05 -0.04 1.68 1.49 3ha1A1 LYS 264 HE2 -0.02 -0.05 0.00 -0.04 2.99 2.87 3ha1A1 LYS 264 HE3 -0.03 -0.03 -0.05 -0.04 2.99 2.84 3ha1A1 GLY 265 H -0.09 0.56 0.12 -0.55 8.43 8.48 3ha1A1 GLY 265 HA2 -0.07 0.05 0.31 -0.51 4.01 3.78 3ha1A1 GLY 265 HA3 -0.05 0.05 0.26 -0.51 4.01 3.76 3ha1A1 ASP 266 H -0.05 0.44 -0.26 -0.55 8.40 7.99 3ha1A1 ASP 266 HA -0.02 0.08 0.53 -0.75 4.63 4.47 3ha1A1 ASP 266 HB2 -0.03 0.13 0.02 -0.04 2.71 2.79 3ha1A1 ASP 266 HB3 -0.01 0.04 -0.07 -0.04 2.70 2.63 3ha1A1 GLY 267 H 0.00 0.07 0.19 -0.55 8.43 8.14 3ha1A1 GLY 267 HA2 0.01 0.29 0.55 -0.51 4.01 4.35 3ha1A1 GLY 267 HA3 0.02 -0.03 0.30 -0.51 4.01 3.79 3ha1A1 ILE 268 H 0.13 0.64 0.28 -0.55 8.25 8.75 3ha1A1 ILE 268 HA 0.06 0.11 0.92 -0.75 4.18 4.52 3ha1A1 ILE 268 HB 0.24 -0.06 -0.01 -0.04 1.89 2.02 3ha1A1 ILE 268 HG12 0.22 0.04 -0.38 -0.04 1.49 1.33 3ha1A1 ILE 268 HG13 0.22 -0.02 -0.22 -0.04 1.21 1.15 3ha1A1 ILE 268 HG23 0.05 -0.00 -0.17 -0.04 0.93 0.77 3ha1A1 ILE 268 HD13 0.07 0.05 -0.17 -0.04 0.88 0.79 3ha1A1 SER 269 H 0.01 0.14 0.06 -0.55 8.46 8.12 3ha1A1 SER 269 HA -0.10 0.03 0.28 -0.75 4.49 3.95 3ha1A1 SER 269 HB2 0.04 0.06 -0.19 -0.04 3.95 3.83 3ha1A1 SER 269 HB3 0.08 -0.15 0.14 -0.04 3.93 3.97 3ha1A1 TYR 270 H 0.04 0.16 0.16 -0.55 8.29 8.09 3ha1A1 TYR 270 HA 0.06 0.03 0.31 -0.75 4.56 4.21 3ha1A1 TYR 270 HB2 0.08 0.01 0.15 -0.04 3.06 3.27 3ha1A1 TYR 270 HB3 0.06 0.06 0.04 -0.04 2.98 3.11 3ha1A1 TYR 270 HD2 0.08 0.03 0.04 -0.04 7.15 7.25 3ha1A1 TYR 270 HE2 0.07 -0.03 0.03 -0.04 6.85 6.88 3ha1A1 ASN 271 H 0.19 0.13 0.18 -0.55 8.53 8.49 3ha1A1 ASN 271 HA 0.09 0.03 0.29 -0.75 4.76 4.42 3ha1A1 ASN 271 HB2 0.10 0.13 -0.09 -0.04 2.88 2.97 3ha1A1 ASN 271 HB3 0.06 0.04 0.13 -0.04 2.79 2.98 3ha1A1 ASN 271 HD21 0.04 -0.00 0.00 -0.04 7.03 7.03 3ha1A1 ASN 271 HD22 0.06 0.05 0.04 -0.04 7.74 7.84 3ha1A1 VAL 272 H 0.09 0.35 -0.52 -0.55 8.24 7.61 3ha1A1 VAL 272 HA 0.07 0.05 0.19 -0.75 4.13 3.69 3ha1A1 VAL 272 HB 0.04 0.12 -0.01 -0.04 2.12 2.23 3ha1A1 VAL 272 HG13 0.02 -0.02 0.01 -0.04 0.97 0.93 3ha1A1 VAL 272 HG23 0.04 -0.04 -0.17 -0.04 0.95 0.75 3ha1A1 THR 273 H 0.11 0.19 -0.18 -0.55 8.28 7.84 3ha1A1 THR 273 HA 0.07 0.18 0.52 -0.75 4.39 4.40 3ha1A1 THR 273 HB 0.08 0.00 0.11 -0.04 4.32 4.48 3ha1A1 THR 273 HG23 0.08 0.05 -0.04 -0.04 1.22 1.27 3ha1A1 TYR 274 H 0.15 0.15 -0.28 -0.55 8.29 7.76 3ha1A1 TYR 274 HA 0.02 0.20 0.83 -0.75 4.56 4.87 3ha1A1 TYR 274 HB2 0.04 -0.09 -0.06 -0.04 3.06 2.90 3ha1A1 TYR 274 HB3 0.03 -0.01 0.04 -0.04 2.98 3.00 3ha1A1 TYR 274 HD2 0.02 -0.01 -0.17 -0.04 7.15 6.95 3ha1A1 TYR 274 HE2 -0.03 -0.01 -0.14 -0.04 6.85 6.62 3ha1A1 ARG 275 H -0.45 0.23 0.07 -0.55 8.46 7.76 3ha1A1 ARG 275 HA -0.17 0.32 0.65 -0.75 4.34 4.38 3ha1A1 ARG 275 HB2 -0.18 -0.05 -0.01 -0.04 1.90 1.63 3ha1A1 ARG 275 HB3 -0.14 0.05 -0.14 -0.04 1.80 1.53 3ha1A1 ARG 275 HG2 -0.05 0.00 -0.30 -0.04 1.67 1.28 3ha1A1 ARG 275 HG3 -0.06 -0.04 -0.39 -0.04 1.67 1.14 3ha1A1 ARG 275 HD2 -0.06 -0.05 -0.06 -0.04 3.22 3.01 3ha1A1 ARG 275 HD3 -0.06 0.12 -0.01 -0.04 3.22 3.23 3ha1A1 THR 276 H -0.15 0.47 0.07 -0.55 8.28 8.13 3ha1A1 THR 276 HA -0.23 0.03 0.40 -0.75 4.39 3.84 3ha1A1 THR 276 HB -0.10 0.07 0.10 -0.04 4.32 4.36 3ha1A1 THR 276 HG23 0.03 0.03 -0.04 -0.04 1.22 1.19 3ha1A1 LYS 277 H -0.12 0.10 0.19 -0.55 8.42 8.04 3ha1A1 LYS 277 HA -0.09 0.20 0.90 -0.75 4.32 4.58 3ha1A1 LYS 277 HB2 -0.02 -0.01 0.06 -0.04 1.87 1.85 3ha1A1 LYS 277 HB3 -0.03 -0.00 0.10 -0.04 1.79 1.82 3ha1A1 LYS 277 HG2 -0.10 0.03 -0.05 -0.04 1.46 1.31 3ha1A1 LYS 277 HG3 -0.16 0.08 -0.05 -0.04 1.46 1.29 3ha1A1 LYS 277 HD2 -0.03 0.00 0.01 -0.04 1.69 1.63 3ha1A1 LYS 277 HD3 -0.00 0.01 0.01 -0.04 1.68 1.66 3ha1A1 LYS 277 HE2 0.02 -0.01 -0.00 -0.04 2.99 2.96 3ha1A1 LYS 277 HE3 -0.01 -0.01 0.01 -0.04 2.99 2.94 3ha1A1 THR 278 H -0.06 0.10 0.04 -0.55 8.28 7.81 3ha1A1 THR 278 HA -0.04 0.15 0.50 -0.75 4.39 4.25 3ha1A1 THR 278 HB -0.01 -0.06 0.15 -0.04 4.32 4.36 3ha1A1 THR 278 HG23 0.01 0.00 -0.13 -0.04 1.22 1.07 3ha1A1 GLU 279 H -0.05 0.13 0.09 -0.55 8.60 8.22 3ha1A1 GLU 279 HA -0.12 0.28 0.74 -0.75 4.29 4.43 3ha1A1 GLU 279 HB2 -0.10 -0.06 0.10 -0.04 2.09 1.99 3ha1A1 GLU 279 HB3 -0.12 0.01 0.13 -0.04 1.99 1.98 3ha1A1 GLU 279 HG2 -0.35 0.00 -0.28 -0.04 2.34 1.66 3ha1A1 GLU 279 HG3 -0.22 0.05 -0.36 -0.04 2.34 1.77 3ha1A1 GLU 280 H -0.14 0.56 0.26 -0.55 8.60 8.73 3ha1A1 GLU 280 HA -0.02 0.21 0.90 -0.75 4.29 4.64 3ha1A1 GLU 280 HB2 -0.12 -0.02 0.02 -0.04 2.09 1.93 3ha1A1 GLU 280 HB3 -0.21 0.12 -0.08 -0.04 1.99 1.78 3ha1A1 GLU 280 HG2 -0.11 0.09 -0.15 -0.04 2.34 2.13 3ha1A1 GLU 280 HG3 -0.11 0.06 -0.31 -0.04 2.34 1.94 3ha1A1 TRP 281 H 0.31 0.30 0.11 -0.55 7.97 8.14 3ha1A1 TRP 281 HA 0.02 0.20 0.79 -0.75 4.62 4.88 3ha1A1 TRP 281 HB2 0.07 0.24 -0.02 -0.04 3.23 3.48 3ha1A1 TRP 281 HB3 0.02 -0.01 -0.17 -0.04 3.23 3.02 3ha1A1 TRP 281 HD1 0.04 0.19 -0.20 -0.04 7.22 7.21 3ha1A1 TRP 281 HE1 0.01 0.04 -0.04 -0.04 10.20 10.17 3ha1A1 TRP 281 HE3 -0.03 0.06 -0.24 -0.04 7.59 7.34 3ha1A1 TRP 281 HZ2 -0.00 0.02 -0.04 -0.04 7.44 7.38 3ha1A1 TRP 281 HZ3 -0.04 0.02 -0.17 -0.04 7.13 6.91 3ha1A1 TRP 281 HH2 -0.01 0.02 -0.05 -0.04 7.19 7.10 3ha1A1 ILE 282 H 0.14 0.72 0.35 -0.55 8.25 8.90 3ha1A1 ILE 282 HA 0.13 0.30 0.93 -0.75 4.18 4.79 3ha1A1 ILE 282 HB 0.04 -0.03 0.09 -0.04 1.89 1.95 3ha1A1 ILE 282 HG12 0.02 0.04 -0.26 -0.04 1.49 1.26 3ha1A1 ILE 282 HG13 0.05 -0.02 -0.13 -0.04 1.21 1.06 3ha1A1 ILE 282 HG23 0.05 -0.01 -0.17 -0.04 0.93 0.76 3ha1A1 ILE 282 HD13 0.05 0.03 -0.21 -0.04 0.88 0.70 3ha1A1 ALA 283 H 0.08 0.66 0.35 -0.55 8.40 8.94 3ha1A1 ALA 283 HA 0.01 0.26 1.11 -0.75 4.34 4.97 3ha1A1 ALA 283 HB3 0.01 -0.02 0.04 -0.04 1.41 1.41 3ha1A1 THR 284 H 0.02 0.53 0.40 -0.55 8.28 8.68 3ha1A1 THR 284 HA -0.03 0.32 1.08 -0.75 4.39 5.00 3ha1A1 THR 284 HB 0.06 -0.09 0.04 -0.04 4.32 4.29 3ha1A1 THR 284 HG23 -0.02 0.01 -0.11 -0.04 1.22 1.06 3ha1A1 VAL 285 H -0.29 0.61 0.39 -0.55 8.24 8.41 3ha1A1 VAL 285 HA -0.16 0.18 1.06 -0.75 4.13 4.45 3ha1A1 VAL 285 HB -0.36 -0.00 -0.01 -0.04 2.12 1.71 3ha1A1 VAL 285 HG13 -0.21 0.03 -0.32 -0.04 0.97 0.42 3ha1A1 VAL 285 HG23 -1.14 0.02 -0.07 -0.04 0.95 -0.28 3ha1A1 ALA 286 H -0.13 0.21 0.14 -0.55 8.40 8.08 3ha1A1 ALA 286 HA -0.10 0.20 0.79 -0.75 4.34 4.48 3ha1A1 ALA 286 HB3 -0.02 -0.01 0.16 -0.04 1.41 1.50 3ha1A1 ILE 287 H -0.26 0.31 -0.17 -0.55 8.25 7.58 3ha1A1 ILE 287 HA -0.03 0.10 0.32 -0.75 4.18 3.82 3ha1A1 ILE 287 HB -0.13 0.11 -0.05 -0.04 1.89 1.78 3ha1A1 ILE 287 HG12 0.12 0.02 -0.18 -0.04 1.49 1.41 3ha1A1 ILE 287 HG13 0.04 -0.03 0.04 -0.04 1.21 1.22 3ha1A1 ILE 287 HG23 -0.36 -0.03 -0.25 -0.04 0.93 0.25 3ha1A1 ILE 287 HD13 -0.10 0.01 -0.14 -0.04 0.88 0.61 3ha1A1 GLY 288 H 0.10 0.18 0.05 -0.55 8.43 8.22 3ha1A1 GLY 288 HA2 0.33 0.21 0.43 -0.51 4.01 4.47 3ha1A1 GLY 288 HA3 0.06 -0.06 -0.29 -0.51 4.01 3.21 3ha1A1 TYR 289 H 0.01 0.39 0.08 -0.55 8.29 8.23 3ha1A1 TYR 289 HA 0.15 0.06 0.14 -0.75 4.56 4.15 3ha1A1 TYR 289 HB2 0.06 -0.05 -0.02 -0.04 3.06 3.01 3ha1A1 TYR 289 HB3 0.09 0.04 -0.01 -0.04 2.98 3.06 3ha1A1 TYR 289 HD2 0.09 0.08 -0.28 -0.04 7.15 7.00 3ha1A1 TYR 289 HE2 0.09 0.04 -0.04 -0.04 6.85 6.89 3ha1A1 ALA 290 H -0.19 0.55 0.02 -0.55 8.40 8.24 3ha1A1 ALA 290 HA 0.15 0.08 0.62 -0.75 4.34 4.44 3ha1A1 ALA 290 HB3 0.01 0.00 0.07 -0.04 1.41 1.45 3ha1A1 ASP 291 H 0.12 0.36 -0.33 -0.55 8.40 8.00 3ha1A1 ASP 291 HA 0.12 0.10 0.80 -0.75 4.63 4.89 3ha1A1 ASP 291 HB2 0.15 0.08 0.04 -0.04 2.71 2.93 3ha1A1 ASP 291 HB3 0.09 0.05 0.10 -0.04 2.70 2.90 3ha1A1 GLY 292 H 0.18 0.31 -0.37 -0.55 8.43 8.01 3ha1A1 GLY 292 HA2 0.11 0.01 0.23 -0.51 4.01 3.85 3ha1A1 GLY 292 HA3 0.12 0.35 0.55 -0.51 4.01 4.52 3ha1A1 TRP 293 H 0.32 0.24 -0.21 -0.55 7.97 7.77 3ha1A1 TRP 293 HA 0.01 0.13 0.49 -0.75 4.62 4.51 3ha1A1 TRP 293 HB2 0.07 0.04 -0.19 -0.04 3.23 3.10 3ha1A1 TRP 293 HB3 0.14 -0.04 -0.18 -0.04 3.23 3.11 3ha1A1 TRP 293 HD1 0.02 -0.06 -0.31 -0.04 7.22 6.83 3ha1A1 TRP 293 HE1 -0.58 0.02 -0.20 -0.04 10.20 9.40 3ha1A1 TRP 293 HE3 -0.03 0.04 -0.18 -0.04 7.59 7.38 3ha1A1 TRP 293 HZ2 0.03 0.03 -0.14 -0.04 7.44 7.32 3ha1A1 TRP 293 HZ3 -0.10 -0.02 -0.19 -0.04 7.13 6.78 3ha1A1 TRP 293 HH2 -0.04 0.12 -0.09 -0.04 7.19 7.14 3ha1A1 LEU 294 H -0.41 0.18 0.04 -0.55 8.37 7.64 3ha1A1 LEU 294 HA 0.09 0.06 -0.11 -0.75 4.35 3.64 3ha1A1 LEU 294 HB2 -0.18 0.01 0.01 -0.04 1.64 1.44 3ha1A1 LEU 294 HB3 -0.09 -0.11 0.08 -0.04 1.64 1.48 3ha1A1 LEU 294 HG -0.09 0.25 -0.08 -0.04 1.64 1.67 3ha1A1 LEU 294 HD13 -0.08 0.00 -0.03 -0.04 0.93 0.79 3ha1A1 LEU 294 HD23 0.05 -0.03 -0.21 -0.04 0.89 0.66 3ha1A1 ARG 295 H -0.05 0.16 0.13 -0.55 8.46 8.14 3ha1A1 ARG 295 HA 0.08 0.08 0.41 -0.75 4.34 4.15 3ha1A1 ARG 295 HB2 -0.08 -0.00 0.09 -0.04 1.90 1.87 3ha1A1 ARG 295 HB3 0.01 0.03 0.07 -0.04 1.80 1.87 3ha1A1 ARG 295 HG2 0.15 0.21 0.11 -0.04 1.67 2.09 3ha1A1 ARG 295 HG3 -0.09 -0.08 0.06 -0.04 1.67 1.52 3ha1A1 ARG 295 HD2 -0.59 -0.03 0.02 -0.04 3.22 2.58 3ha1A1 ARG 295 HD3 -0.27 -0.00 0.03 -0.04 3.22 2.94 3ha1A1 ARG 296 H -0.09 0.03 -0.23 -0.55 8.46 7.62 3ha1A1 ARG 296 HA -0.02 0.11 0.53 -0.75 4.34 4.21 3ha1A1 ARG 296 HB2 -0.08 0.12 0.13 -0.04 1.90 2.03 3ha1A1 ARG 296 HB3 -0.08 -0.05 0.09 -0.04 1.80 1.73 3ha1A1 ARG 296 HG2 -0.14 -0.20 -0.08 -0.04 1.67 1.22 3ha1A1 ARG 296 HG3 -0.16 0.06 -0.26 -0.04 1.67 1.28 3ha1A1 ARG 296 HD2 -0.11 0.31 0.07 -0.04 3.22 3.45 3ha1A1 ARG 296 HD3 -0.10 -0.07 0.01 -0.04 3.22 3.03 3ha1A1 LEU 297 H -0.18 0.46 -0.51 -0.55 8.37 7.60 3ha1A1 LEU 297 HA 0.01 0.21 0.74 -0.75 4.35 4.56 3ha1A1 LEU 297 HB2 -0.66 0.15 -0.06 -0.04 1.64 1.04 3ha1A1 LEU 297 HB3 -0.35 -0.06 0.00 -0.04 1.64 1.20 3ha1A1 LEU 297 HG -0.51 -0.06 -0.20 -0.04 1.64 0.83 3ha1A1 LEU 297 HD13 -1.95 -0.05 -0.08 -0.04 0.93 -1.19 3ha1A1 LEU 297 HD23 -0.76 0.03 -0.04 -0.04 0.89 0.08 3ha1A1 GLN 298 H 0.03 0.42 -0.23 -0.55 8.47 8.14 3ha1A1 GLN 298 HA 0.02 -0.00 0.41 -0.75 4.36 4.03 3ha1A1 GLN 298 HB2 0.06 -0.06 0.14 -0.04 2.15 2.25 3ha1A1 GLN 298 HB3 0.08 0.00 0.07 -0.04 2.02 2.13 3ha1A1 GLN 298 HG2 0.08 0.02 -0.21 -0.04 2.40 2.24 3ha1A1 GLN 298 HG3 0.05 0.14 -0.14 -0.04 2.39 2.40 3ha1A1 GLN 298 HE21 0.11 -0.06 -0.18 -0.04 6.97 6.80 3ha1A1 GLN 298 HE22 0.10 -0.03 -0.13 -0.04 7.69 7.58 3ha1A1 GLY 299 H 0.00 0.34 0.26 -0.55 8.43 8.49 3ha1A1 GLY 299 HA2 0.04 0.01 0.36 -0.51 4.01 3.91 3ha1A1 GLY 299 HA3 0.16 0.09 0.52 -0.51 4.01 4.27 3ha1A1 PHE 300 H -0.08 0.59 -0.34 -0.55 8.34 7.96 3ha1A1 PHE 300 HA -0.88 0.03 0.43 -0.75 4.62 3.45 3ha1A1 PHE 300 HB2 -0.96 0.04 0.05 -0.04 3.15 2.24 3ha1A1 PHE 300 HB3 -0.26 0.03 0.05 -0.04 3.06 2.83 3ha1A1 PHE 300 HD2 -0.35 -0.02 -0.12 -0.04 7.28 6.76 3ha1A1 PHE 300 HE2 0.06 0.03 -0.08 -0.04 7.38 7.35 3ha1A1 PHE 300 HZ -0.02 -0.12 -0.08 -0.04 7.32 7.06 3ha1A1 GLU 301 H -1.28 0.12 0.13 -0.55 8.60 7.02 3ha1A1 GLU 301 HA -0.28 0.21 0.75 -0.75 4.29 4.21 3ha1A1 GLU 301 HB2 -0.41 -0.05 0.08 -0.04 2.09 1.66 3ha1A1 GLU 301 HB3 -0.24 -0.05 -0.16 -0.04 1.99 1.50 3ha1A1 GLU 301 HG2 -0.16 0.00 -0.33 -0.04 2.34 1.81 3ha1A1 GLU 301 HG3 -0.24 0.04 -0.10 -0.04 2.34 2.00 3ha1A1 VAL 302 H -0.13 0.42 0.22 -0.55 8.24 8.20 3ha1A1 VAL 302 HA -0.08 0.16 0.73 -0.75 4.13 4.19 3ha1A1 VAL 302 HB -0.04 0.08 0.03 -0.04 2.12 2.14 3ha1A1 VAL 302 HG13 0.11 -0.00 -0.15 -0.04 0.97 0.89 3ha1A1 VAL 302 HG23 0.03 0.01 -0.22 -0.04 0.95 0.73 3ha1A1 LEU 303 H -0.07 0.56 0.24 -0.55 8.37 8.55 3ha1A1 LEU 303 HA -0.07 0.38 0.73 -0.75 4.35 4.64 3ha1A1 LEU 303 HB2 -0.05 0.01 0.05 -0.04 1.64 1.60 3ha1A1 LEU 303 HB3 -0.04 -0.13 -0.17 -0.04 1.64 1.26 3ha1A1 LEU 303 HG -0.08 0.04 -0.33 -0.04 1.64 1.23 3ha1A1 LEU 303 HD13 -0.04 -0.03 -0.31 -0.04 0.93 0.52 3ha1A1 LEU 303 HD23 -0.05 0.01 -0.44 -0.04 0.89 0.37 3ha1A1 VAL 304 H -0.05 0.73 0.22 -0.55 8.24 8.58 3ha1A1 VAL 304 HA -0.04 0.23 0.69 -0.75 4.13 4.25 3ha1A1 VAL 304 HB -0.05 0.03 0.03 -0.04 2.12 2.09 3ha1A1 VAL 304 HG13 -0.05 0.02 -0.14 -0.04 0.97 0.76 3ha1A1 VAL 304 HG23 -0.04 0.01 -0.24 -0.04 0.95 0.63 3ha1A1 ASN 305 H -0.03 0.27 0.10 -0.55 8.53 8.32 3ha1A1 ASN 305 HA -0.03 0.03 0.32 -0.75 4.76 4.33 3ha1A1 ASN 305 HB2 -0.05 0.15 -0.19 -0.04 2.88 2.75 3ha1A1 ASN 305 HB3 -0.04 0.01 0.21 -0.04 2.79 2.93 3ha1A1 ASN 305 HD21 -0.07 0.00 -0.01 -0.04 7.03 6.91 3ha1A1 ASN 305 HD22 -0.07 0.04 -0.06 -0.04 7.74 7.60 3ha1A1 GLY 306 H -0.03 0.03 -0.39 -0.55 8.43 7.50 3ha1A1 GLY 306 HA2 -0.01 0.07 0.19 -0.51 4.01 3.75 3ha1A1 GLY 306 HA3 -0.02 0.06 0.29 -0.51 4.01 3.83 3ha1A1 LYS 307 H -0.04 0.40 -0.42 -0.55 8.42 7.80 3ha1A1 LYS 307 HA -0.04 0.12 0.82 -0.75 4.32 4.46 3ha1A1 LYS 307 HB2 -0.05 0.13 0.04 -0.04 1.87 1.96 3ha1A1 LYS 307 HB3 -0.05 0.06 -0.09 -0.04 1.79 1.67 3ha1A1 LYS 307 HG2 -0.04 -0.02 -0.05 -0.04 1.46 1.31 3ha1A1 LYS 307 HG3 -0.04 0.13 -0.12 -0.04 1.46 1.39 3ha1A1 LYS 307 HD2 -0.05 -0.01 -0.02 -0.04 1.69 1.57 3ha1A1 LYS 307 HD3 -0.05 -0.00 -0.01 -0.04 1.68 1.58 3ha1A1 LYS 307 HE2 -0.03 -0.02 -0.01 -0.04 2.99 2.89 3ha1A1 LYS 307 HE3 -0.04 0.02 -0.01 -0.04 2.99 2.93 3ha1A1 ARG 308 H -0.06 0.11 0.14 -0.55 8.46 8.10 3ha1A1 ARG 308 HA -0.11 0.29 0.55 -0.75 4.34 4.32 3ha1A1 ARG 308 HB2 -0.08 -0.04 0.16 -0.04 1.90 1.91 3ha1A1 ARG 308 HB3 -0.13 0.02 -0.05 -0.04 1.80 1.59 3ha1A1 ARG 308 HG2 -0.06 -0.04 0.01 -0.04 1.67 1.54 3ha1A1 ARG 308 HG3 -0.08 -0.02 0.00 -0.04 1.67 1.54 3ha1A1 ARG 308 HD2 -0.19 0.11 -0.14 -0.04 3.22 2.96 3ha1A1 ARG 308 HD3 -0.10 -0.03 -0.28 -0.04 3.22 2.76 3ha1A1 VAL 309 H -0.12 0.59 0.27 -0.55 8.24 8.43 3ha1A1 VAL 309 HA -0.09 0.18 0.90 -0.75 4.13 4.36 3ha1A1 VAL 309 HB -0.06 0.25 -0.03 -0.04 2.12 2.24 3ha1A1 VAL 309 HG13 -0.08 -0.03 -0.29 -0.04 0.97 0.54 3ha1A1 VAL 309 HG23 -0.05 -0.01 -0.15 -0.04 0.95 0.70 3ha1A1 PRO 310 HA -0.11 0.21 0.23 -0.51 4.44 4.26 3ha1A1 PRO 310 HB2 -0.03 0.09 -0.22 -0.04 2.28 2.07 3ha1A1 PRO 310 HB3 -0.04 0.05 -0.04 -0.04 2.02 1.95 3ha1A1 PRO 310 HG2 0.03 -0.11 0.07 -0.04 2.03 1.98 3ha1A1 PRO 310 HG3 0.04 0.02 0.04 -0.04 2.03 2.09 3ha1A1 PRO 310 HD2 -0.08 0.33 0.28 -0.04 3.68 4.17 3ha1A1 PRO 310 HD3 -0.07 0.13 0.20 -0.04 3.65 3.87 3ha1A1 ILE 311 H -0.07 0.66 0.23 -0.55 8.25 8.52 3ha1A1 ILE 311 HA 0.03 0.21 0.76 -0.75 4.18 4.43 3ha1A1 ILE 311 HB -0.07 -0.11 0.25 -0.04 1.89 1.92 3ha1A1 ILE 311 HG12 -0.25 -0.02 -0.07 -0.04 1.49 1.10 3ha1A1 ILE 311 HG13 -0.06 0.13 0.07 -0.04 1.21 1.30 3ha1A1 ILE 311 HG23 -0.10 0.01 -0.13 -0.04 0.93 0.67 3ha1A1 ILE 311 HD13 -0.30 0.01 -0.13 -0.04 0.88 0.42 3ha1A1 VAL 312 H -0.03 0.55 0.27 -0.55 8.24 8.48 3ha1A1 VAL 312 HA -0.21 0.16 1.00 -0.75 4.13 4.32 3ha1A1 VAL 312 HB -1.59 -0.05 -0.07 -0.04 2.12 0.37 3ha1A1 VAL 312 HG13 -0.35 0.05 -0.22 -0.04 0.97 0.41 3ha1A1 VAL 312 HG23 -0.24 -0.02 -0.23 -0.04 0.95 0.42 3ha1A1 GLY 313 H -0.02 0.10 0.03 -0.55 8.43 8.00 3ha1A1 GLY 313 HA2 0.14 -0.01 0.26 -0.51 4.01 3.88 3ha1A1 GLY 313 HA3 0.09 0.12 0.37 -0.51 4.01 4.08 3ha1A1 ARG 314 H 0.12 0.10 0.13 -0.55 8.46 8.26 3ha1A1 ARG 314 HA 0.12 0.07 0.34 -0.75 4.34 4.12 3ha1A1 ARG 314 HB2 0.22 -0.23 0.17 -0.04 1.90 2.02 3ha1A1 ARG 314 HB3 0.22 0.11 0.04 -0.04 1.80 2.13 3ha1A1 ARG 314 HG2 0.13 -0.04 0.07 -0.04 1.67 1.79 3ha1A1 ARG 314 HG3 0.17 0.06 0.05 -0.04 1.67 1.91 3ha1A1 ARG 314 HD2 0.11 -0.02 0.04 -0.04 3.22 3.31 3ha1A1 ARG 314 HD3 0.09 0.03 0.04 -0.04 3.22 3.35 3ha1A1 VAL 315 H 0.15 0.11 0.24 -0.55 8.24 8.19 3ha1A1 VAL 315 HA 0.27 0.12 0.77 -0.75 4.13 4.53 3ha1A1 VAL 315 HB 0.22 -0.14 0.10 -0.04 2.12 2.26 3ha1A1 VAL 315 HG13 0.42 0.06 -0.16 -0.04 0.97 1.25 3ha1A1 VAL 315 HG23 0.09 0.04 -0.04 -0.04 0.95 0.99 3ha1A1 THR 316 H 0.23 0.68 0.40 -0.55 8.28 9.04 3ha1A1 THR 316 HA 0.39 0.19 0.79 -0.75 4.39 5.00 3ha1A1 THR 316 HB 0.21 -0.09 0.20 -0.04 4.32 4.60 3ha1A1 THR 316 HG23 0.10 0.05 -0.07 -0.04 1.22 1.25 3ha1A1 MET 317 H -0.09 0.21 0.17 -0.55 8.47 8.21 3ha1A1 MET 317 HA -1.70 -0.01 0.44 -0.75 4.52 2.50 3ha1A1 MET 317 HB2 -0.28 0.05 0.16 -0.04 2.15 2.04 3ha1A1 MET 317 HB3 -0.15 0.05 0.10 -0.04 2.03 1.99 3ha1A1 MET 317 HG2 -0.16 0.00 -0.03 -0.04 2.63 2.40 3ha1A1 MET 317 HG3 -0.34 -0.02 0.08 -0.04 2.56 2.24 3ha1A1 MET 317 HE3 0.15 0.00 0.02 -0.04 2.10 2.23 3ha1A1 ASP 318 H -0.07 -0.01 -0.35 -0.55 8.40 7.42 3ha1A1 ASP 318 HA -0.04 0.14 0.61 -0.75 4.63 4.59 3ha1A1 ASP 318 HB2 -0.02 0.02 -0.12 -0.04 2.71 2.55 3ha1A1 ASP 318 HB3 -0.02 0.08 -0.03 -0.04 2.70 2.70 3ha1A1 GLN 319 H 0.03 0.03 -0.06 -0.55 8.47 7.92 3ha1A1 GLN 319 HA -0.10 0.29 0.99 -0.75 4.36 4.78 3ha1A1 GLN 319 HB2 0.00 -0.12 -0.04 -0.04 2.15 1.94 3ha1A1 GLN 319 HB3 -0.04 0.10 0.07 -0.04 2.02 2.10 3ha1A1 GLN 319 HG2 -0.04 0.16 -0.20 -0.04 2.40 2.28 3ha1A1 GLN 319 HG3 -0.02 -0.26 -0.60 -0.04 2.39 1.47 3ha1A1 GLN 319 HE21 -0.02 0.03 -0.07 -0.04 6.97 6.86 3ha1A1 GLN 319 HE22 -0.01 -0.09 -0.11 -0.04 7.69 7.44 3ha1A1 PHE 320 H -0.33 0.38 0.40 -0.55 8.34 8.24 3ha1A1 PHE 320 HA 0.05 0.08 0.34 -0.75 4.62 4.33 3ha1A1 PHE 320 HB2 0.10 0.06 0.17 -0.04 3.15 3.44 3ha1A1 PHE 320 HB3 0.14 -0.00 0.15 -0.04 3.06 3.30 3ha1A1 PHE 320 HD2 0.05 0.12 -0.35 -0.04 7.28 7.06 3ha1A1 PHE 320 HE2 -0.56 -0.01 -0.25 -0.04 7.38 6.52 3ha1A1 PHE 320 HZ -0.48 -0.01 -0.21 -0.04 7.32 6.57 3ha1A1 MET 321 H 0.28 0.32 0.19 -0.55 8.47 8.71 3ha1A1 MET 321 HA 0.08 0.31 1.15 -0.75 4.52 5.31 3ha1A1 MET 321 HB2 0.07 0.14 0.09 -0.04 2.15 2.41 3ha1A1 MET 321 HB3 0.05 -0.00 -0.01 -0.04 2.03 2.02 3ha1A1 MET 321 HG2 0.05 -0.05 -0.11 -0.04 2.63 2.48 3ha1A1 MET 321 HG3 0.05 0.09 -0.15 -0.04 2.56 2.51 3ha1A1 MET 321 HE3 0.04 0.02 -0.07 -0.04 2.10 2.05 3ha1A1 ILE 322 H 0.08 0.58 0.37 -0.55 8.25 8.72 3ha1A1 ILE 322 HA 0.08 0.28 0.96 -0.75 4.18 4.74 3ha1A1 ILE 322 HB 0.06 -0.11 -0.08 -0.04 1.89 1.72 3ha1A1 ILE 322 HG12 0.23 0.07 -0.32 -0.04 1.49 1.43 3ha1A1 ILE 322 HG13 0.31 -0.11 -0.74 -0.04 1.21 0.63 3ha1A1 ILE 322 HG23 0.03 0.05 -0.49 -0.04 0.93 0.48 3ha1A1 ILE 322 HD13 0.07 -0.01 -0.27 -0.04 0.88 0.62 3ha1A1 HIS 323 H 0.08 0.55 0.17 -0.55 8.41 8.66 3ha1A1 HIS 323 HA 0.05 0.21 0.86 -0.75 4.63 4.99 3ha1A1 HIS 323 HB2 -0.05 -0.08 0.02 -0.04 3.26 3.12 3ha1A1 HIS 323 HB3 -0.02 0.04 0.18 -0.04 3.20 3.35 3ha1A1 HIS 323 HD2 0.13 0.28 0.07 -0.04 6.97 7.41 3ha1A1 HIS 323 HE1 0.09 -0.04 -0.05 -0.04 7.75 7.70 3ha1A1 LEU 324 H 0.24 0.54 0.27 -0.55 8.37 8.87 3ha1A1 LEU 324 HA -0.06 0.22 0.91 -0.75 4.35 4.66 3ha1A1 LEU 324 HB2 0.11 -0.03 -0.03 -0.04 1.64 1.66 3ha1A1 LEU 324 HB3 -0.03 -0.01 0.06 -0.04 1.64 1.62 3ha1A1 LEU 324 HG 0.06 -0.01 -0.16 -0.04 1.64 1.49 3ha1A1 LEU 324 HD13 -0.04 -0.02 -0.09 -0.04 0.93 0.74 3ha1A1 LEU 324 HD23 -0.02 0.02 -0.23 -0.04 0.89 0.63 3ha1A1 PRO 325 HA 0.05 0.10 0.65 -0.51 4.44 4.73 3ha1A1 PRO 325 HB2 -0.01 0.00 -0.00 -0.04 2.28 2.23 3ha1A1 PRO 325 HB3 -0.04 0.02 0.10 -0.04 2.02 2.06 3ha1A1 PRO 325 HG2 -0.06 0.02 0.04 -0.04 2.03 1.99 3ha1A1 PRO 325 HG3 -0.06 0.06 0.04 -0.04 2.03 2.03 3ha1A1 PRO 325 HD2 -0.07 0.09 0.20 -0.04 3.68 3.86 3ha1A1 PRO 325 HD3 -0.12 0.20 0.11 -0.04 3.65 3.80 3ha1A1 CYS 326 H -0.08 0.22 -0.16 -0.55 8.50 7.93 3ha1A1 CYS 326 HA -0.22 0.15 0.85 -0.75 4.58 4.61 3ha1A1 CYS 326 HB2 -0.19 0.02 -0.16 -0.04 2.97 2.61 3ha1A1 CYS 326 HB3 -0.22 0.02 0.01 -0.04 2.97 2.73 3ha1A1 GLU 327 H -1.19 0.10 0.08 -0.55 8.60 7.04 3ha1A1 GLU 327 HA -1.24 0.03 0.53 -0.75 4.29 2.86 3ha1A1 GLU 327 HB2 -2.29 -0.02 0.06 -0.04 2.09 -0.20 3ha1A1 GLU 327 HB3 -0.69 -0.01 0.02 -0.04 1.99 1.27 3ha1A1 GLU 327 HG2 -0.42 0.06 -0.29 -0.04 2.34 1.64 3ha1A1 GLU 327 HG3 -0.77 -0.01 -0.02 -0.04 2.34 1.50 3ha1A1 VAL 328 H -0.32 0.17 0.15 -0.55 8.24 7.69 3ha1A1 VAL 328 HA -0.18 0.18 0.58 -0.75 4.13 3.96 3ha1A1 VAL 328 HB -0.10 0.03 0.07 -0.04 2.12 2.07 3ha1A1 VAL 328 HG13 -0.14 0.03 -0.22 -0.04 0.97 0.60 3ha1A1 VAL 328 HG23 -0.09 0.01 -0.15 -0.04 0.95 0.68 3ha1A1 PRO 329 HA -0.06 0.03 0.39 -0.51 4.44 4.29 3ha1A1 PRO 329 HB2 -0.03 0.10 -0.09 -0.04 2.28 2.21 3ha1A1 PRO 329 HB3 -0.03 0.03 0.07 -0.04 2.02 2.04 3ha1A1 PRO 329 HG2 -0.05 0.05 0.03 -0.04 2.03 2.02 3ha1A1 PRO 329 HG3 -0.06 0.03 0.01 -0.04 2.03 1.97 3ha1A1 PRO 329 HD2 -0.07 0.07 0.14 -0.04 3.68 3.78 3ha1A1 PRO 329 HD3 -0.10 0.14 0.18 -0.04 3.65 3.83 3ha1A1 LEU 330 H -0.01 0.07 0.16 -0.55 8.37 8.04 3ha1A1 LEU 330 HA 0.00 0.08 0.45 -0.75 4.35 4.12 3ha1A1 LEU 330 HB2 0.01 -0.03 0.10 -0.04 1.64 1.68 3ha1A1 LEU 330 HB3 0.03 0.09 0.04 -0.04 1.64 1.76 3ha1A1 LEU 330 HG 0.03 -0.04 0.08 -0.04 1.64 1.67 3ha1A1 LEU 330 HD13 0.06 0.01 0.04 -0.04 0.93 1.00 3ha1A1 LEU 330 HD23 0.07 0.02 -0.20 -0.04 0.89 0.73 3ha1A1 GLY 331 H 0.01 0.68 0.27 -0.55 8.43 8.84 3ha1A1 GLY 331 HA2 0.03 -0.02 0.30 -0.51 4.01 3.80 3ha1A1 GLY 331 HA3 0.01 0.14 0.72 -0.51 4.01 4.37 3ha1A1 THR 332 H -0.01 0.27 -0.06 -0.55 8.28 7.93 3ha1A1 THR 332 HA -0.01 0.01 0.23 -0.75 4.39 3.87 3ha1A1 THR 332 HB -0.04 -0.05 0.11 -0.04 4.32 4.30 3ha1A1 THR 332 HG23 -0.04 0.02 -0.08 -0.04 1.22 1.08 3ha1A1 LYS 333 H 0.00 0.06 0.23 -0.55 8.42 8.16 3ha1A1 LYS 333 HA 0.01 0.15 0.59 -0.75 4.32 4.32 3ha1A1 LYS 333 HB2 0.04 0.04 0.15 -0.04 1.87 2.06 3ha1A1 LYS 333 HB3 -0.01 -0.10 0.15 -0.04 1.79 1.80 3ha1A1 LYS 333 HG2 -0.03 -0.04 -0.30 -0.04 1.46 1.05 3ha1A1 LYS 333 HG3 -0.06 0.06 -0.00 -0.04 1.46 1.42 3ha1A1 LYS 333 HD2 -0.01 0.02 -0.03 -0.04 1.69 1.62 3ha1A1 LYS 333 HD3 -0.02 -0.04 -0.01 -0.04 1.68 1.57 3ha1A1 LYS 333 HE2 -0.04 -0.02 -0.10 -0.04 2.99 2.79 3ha1A1 LYS 333 HE3 -0.55 0.01 -0.08 -0.04 2.99 2.32 3ha1A1 VAL 334 H -0.08 0.95 0.49 -0.55 8.24 9.05 3ha1A1 VAL 334 HA -0.06 0.26 1.04 -0.75 4.13 4.62 3ha1A1 VAL 334 HB -0.15 -0.07 -0.05 -0.04 2.12 1.81 3ha1A1 VAL 334 HG13 -0.09 -0.01 -0.25 -0.04 0.97 0.58 3ha1A1 VAL 334 HG23 -0.07 0.01 -0.28 -0.04 0.95 0.57 3ha1A1 THR 335 H -0.07 0.67 0.26 -0.55 8.28 8.59 3ha1A1 THR 335 HA -0.15 0.20 1.03 -0.75 4.39 4.71 3ha1A1 THR 335 HB -0.03 -0.06 -0.09 -0.04 4.32 4.10 3ha1A1 THR 335 HG23 -0.15 0.00 -0.53 -0.04 1.22 0.50 3ha1A1 LEU 336 H -0.34 0.74 0.36 -0.55 8.37 8.59 3ha1A1 LEU 336 HA -0.11 0.09 0.69 -0.75 4.35 4.27 3ha1A1 LEU 336 HB2 -0.45 0.10 -0.01 -0.04 1.64 1.24 3ha1A1 LEU 336 HB3 -0.61 -0.02 -0.17 -0.04 1.64 0.80 3ha1A1 LEU 336 HG -1.05 0.00 -0.15 -0.04 1.64 0.40 3ha1A1 LEU 336 HD13 -0.27 0.02 -0.44 -0.04 0.93 0.20 3ha1A1 LEU 336 HD23 -1.14 -0.00 -0.22 -0.04 0.89 -0.51 3ha1A1 ILE 337 H -0.27 0.33 0.30 -0.55 8.25 8.05 3ha1A1 ILE 337 HA -0.12 0.22 0.47 -0.75 4.18 4.00 3ha1A1 ILE 337 HB -0.14 -0.11 0.15 -0.04 1.89 1.75 3ha1A1 ILE 337 HG12 0.07 0.05 -0.07 -0.04 1.49 1.49 3ha1A1 ILE 337 HG13 0.12 -0.07 -0.43 -0.04 1.21 0.80 3ha1A1 ILE 337 HG23 -0.07 0.01 -0.02 -0.04 0.93 0.81 3ha1A1 ILE 337 HD13 0.05 -0.00 -0.11 -0.04 0.88 0.77 3ha1A1 GLY 338 H -0.43 0.48 0.24 -0.55 8.43 8.17 3ha1A1 GLY 338 HA2 -0.08 0.07 0.27 -0.51 4.01 3.75 3ha1A1 GLY 338 HA3 -0.07 0.15 0.90 -0.51 4.01 4.49 3ha1A1 ARG 339 H 0.16 0.18 0.14 -0.55 8.46 8.39 3ha1A1 ARG 339 HA 0.16 0.28 0.79 -0.75 4.34 4.82 3ha1A1 ARG 339 HB2 0.35 -0.02 -0.06 -0.04 1.90 2.13 3ha1A1 ARG 339 HB3 0.17 -0.05 0.09 -0.04 1.80 1.97 3ha1A1 ARG 339 HG2 0.08 -0.19 -0.32 -0.04 1.67 1.21 3ha1A1 ARG 339 HG3 0.12 0.27 -0.18 -0.04 1.67 1.84 3ha1A1 ARG 339 HD2 0.07 -0.08 -0.06 -0.04 3.22 3.11 3ha1A1 ARG 339 HD3 0.05 0.11 -0.06 -0.04 3.22 3.28 3ha1A1 GLN 340 H 0.05 0.54 0.06 -0.55 8.47 8.57 3ha1A1 GLN 340 HA 0.03 0.11 0.32 -0.75 4.36 4.06 3ha1A1 GLN 340 HB2 -0.00 -0.02 0.02 -0.04 2.15 2.11 3ha1A1 GLN 340 HB3 -0.00 -0.09 -0.05 -0.04 2.02 1.84 3ha1A1 GLN 340 HG2 0.01 0.08 0.06 -0.04 2.40 2.51 3ha1A1 GLN 340 HG3 0.02 0.05 -0.28 -0.04 2.39 2.13 3ha1A1 GLN 340 HE21 -0.03 0.29 -0.23 -0.04 6.97 6.96 3ha1A1 GLN 340 HE22 0.00 0.02 -0.27 -0.04 7.69 7.40 3ha1A1 GLY 341 H 0.03 0.15 -0.01 -0.55 8.43 8.05 3ha1A1 GLY 341 HA2 0.01 0.05 0.31 -0.51 4.01 3.87 3ha1A1 GLY 341 HA3 0.01 0.04 0.49 -0.51 4.01 4.03 3ha1A1 ASP 342 H 0.01 0.14 0.23 -0.55 8.40 8.24 3ha1A1 ASP 342 HA 0.02 0.13 0.53 -0.75 4.63 4.55 3ha1A1 ASP 342 HB2 0.01 0.02 0.09 -0.04 2.71 2.79 3ha1A1 ASP 342 HB3 0.01 0.00 0.11 -0.04 2.70 2.78 3ha1A1 GLU 343 H 0.03 0.30 -0.16 -0.55 8.60 8.22 3ha1A1 GLU 343 HA 0.05 0.11 0.58 -0.75 4.29 4.28 3ha1A1 GLU 343 HB2 0.01 0.10 0.09 -0.04 2.09 2.24 3ha1A1 GLU 343 HB3 -0.00 -0.03 -0.10 -0.04 1.99 1.82 3ha1A1 GLU 343 HG2 0.00 -0.10 -0.00 -0.04 2.34 2.20 3ha1A1 GLU 343 HG3 -0.02 0.20 0.02 -0.04 2.34 2.50 3ha1A1 TYR 344 H 0.10 0.25 0.10 -0.55 8.29 8.20 3ha1A1 TYR 344 HA 0.02 0.25 0.72 -0.75 4.56 4.79 3ha1A1 TYR 344 HB2 0.01 0.09 -0.25 -0.04 3.06 2.87 3ha1A1 TYR 344 HB3 0.02 -0.03 0.02 -0.04 2.98 2.94 3ha1A1 TYR 344 HD2 0.02 -0.03 -0.29 -0.04 7.15 6.82 3ha1A1 TYR 344 HE2 0.03 -0.08 -0.09 -0.04 6.85 6.67 3ha1A1 ILE 345 H -0.42 0.61 0.16 -0.55 8.25 8.04 3ha1A1 ILE 345 HA -0.08 0.13 0.96 -0.75 4.18 4.43 3ha1A1 ILE 345 HB -0.12 -0.09 -0.00 -0.04 1.89 1.63 3ha1A1 ILE 345 HG12 -0.05 0.03 -0.05 -0.04 1.49 1.38 3ha1A1 ILE 345 HG13 -0.09 -0.11 -0.24 -0.04 1.21 0.73 3ha1A1 ILE 345 HG23 0.24 0.03 -0.06 -0.04 0.93 1.09 3ha1A1 ILE 345 HD13 -0.04 0.04 -0.08 -0.04 0.88 0.76 3ha1A1 SER 346 H -0.01 0.15 0.13 -0.55 8.46 8.18 3ha1A1 SER 346 HA -0.07 0.24 0.66 -0.75 4.49 4.56 3ha1A1 SER 346 HB2 0.18 -0.02 0.16 -0.04 3.95 4.22 3ha1A1 SER 346 HB3 0.31 0.18 0.08 -0.04 3.93 4.46 3ha1A1 ALA 347 H 0.05 0.27 0.20 -0.55 8.40 8.37 3ha1A1 ALA 347 HA -0.01 0.16 0.47 -0.75 4.34 4.21 3ha1A1 ALA 347 HB3 0.02 0.04 0.09 -0.04 1.41 1.52 3ha1A1 THR 348 H 0.05 0.10 -0.19 -0.55 8.28 7.69 3ha1A1 THR 348 HA 0.02 0.02 0.52 -0.75 4.39 4.20 3ha1A1 THR 348 HB 0.05 0.03 0.06 -0.04 4.32 4.42 3ha1A1 THR 348 HG23 0.03 0.02 -0.05 -0.04 1.22 1.18 3ha1A1 GLU 349 H 0.06 0.11 -0.19 -0.55 8.60 8.03 3ha1A1 GLU 349 HA 0.08 0.06 0.46 -0.75 4.29 4.14 3ha1A1 GLU 349 HB2 0.10 -0.05 0.15 -0.04 2.09 2.26 3ha1A1 GLU 349 HB3 0.14 0.10 0.15 -0.04 1.99 2.35 3ha1A1 GLU 349 HG2 0.41 0.04 -0.17 -0.04 2.34 2.58 3ha1A1 GLU 349 HG3 0.18 -0.01 0.08 -0.04 2.34 2.54 3ha1A1 VAL 350 H -0.03 0.37 -0.18 -0.55 8.24 7.85 3ha1A1 VAL 350 HA -0.82 0.09 0.41 -0.75 4.13 3.06 3ha1A1 VAL 350 HB -0.16 0.02 0.09 -0.04 2.12 2.03 3ha1A1 VAL 350 HG13 -0.61 -0.00 -0.15 -0.04 0.97 0.17 3ha1A1 VAL 350 HG23 -0.05 0.04 -0.01 -0.04 0.95 0.88 3ha1A1 ALA 351 H -0.09 0.53 -0.25 -0.55 8.40 8.05 3ha1A1 ALA 351 HA -0.12 0.03 0.24 -0.75 4.34 3.74 3ha1A1 ALA 351 HB3 -0.02 -0.01 -0.35 -0.04 1.41 0.98 3ha1A1 GLU 352 H -0.01 0.59 -0.10 -0.55 8.60 8.53 3ha1A1 GLU 352 HA -0.02 0.04 0.49 -0.75 4.29 4.05 3ha1A1 GLU 352 HB2 0.05 0.07 0.19 -0.04 2.09 2.36 3ha1A1 GLU 352 HB3 0.03 -0.01 0.06 -0.04 1.99 2.03 3ha1A1 GLU 352 HG2 0.01 -0.03 0.07 -0.04 2.34 2.36 3ha1A1 GLU 352 HG3 0.02 0.05 0.10 -0.04 2.34 2.46 3ha1A1 TYR 353 H 0.07 0.50 -0.17 -0.55 8.29 8.15 3ha1A1 TYR 353 HA -0.00 0.02 0.42 -0.75 4.56 4.24 3ha1A1 TYR 353 HB2 0.12 -0.02 0.12 -0.04 3.06 3.25 3ha1A1 TYR 353 HB3 -0.30 0.08 0.08 -0.04 2.98 2.81 3ha1A1 TYR 353 HD2 0.00 -0.02 -0.14 -0.04 7.15 6.95 3ha1A1 TYR 353 HE2 0.04 0.10 -0.09 -0.04 6.85 6.85 3ha1A1 SER 354 H -0.08 0.39 -0.29 -0.55 8.46 7.92 3ha1A1 SER 354 HA -0.11 0.14 0.54 -0.75 4.49 4.30 3ha1A1 SER 354 HB2 -0.15 -0.04 -0.05 -0.04 3.95 3.67 3ha1A1 SER 354 HB3 -0.16 -0.11 -0.00 -0.04 3.93 3.62 3ha1A1 GLY 355 H -0.09 0.34 -0.48 -0.55 8.43 7.64 3ha1A1 GLY 355 HA2 -0.07 0.00 0.30 -0.51 4.01 3.73 3ha1A1 GLY 355 HA3 -0.08 0.01 0.39 -0.51 4.01 3.81 3ha1A1 THR 356 H -0.06 0.68 -0.04 -0.55 8.28 8.31 3ha1A1 THR 356 HA -0.04 0.16 0.77 -0.75 4.39 4.53 3ha1A1 THR 356 HB -0.06 0.16 -0.26 -0.04 4.32 4.11 3ha1A1 THR 356 HG23 -0.08 0.02 -0.11 -0.04 1.22 1.01 3ha1A1 ILE 357 H -0.00 0.15 0.16 -0.55 8.25 8.01 3ha1A1 ILE 357 HA 0.04 0.28 0.92 -0.75 4.18 4.66 3ha1A1 ILE 357 HB 0.22 -0.09 0.11 -0.04 1.89 2.08 3ha1A1 ILE 357 HG12 0.01 0.07 0.07 -0.04 1.49 1.59 3ha1A1 ILE 357 HG13 0.12 -0.27 -0.08 -0.04 1.21 0.94 3ha1A1 ILE 357 HG23 0.03 0.04 -0.07 -0.04 0.93 0.88 3ha1A1 ILE 357 HD13 -0.13 0.03 0.00 -0.04 0.88 0.75 3ha1A1 ASN 358 H 0.10 0.22 0.12 -0.55 8.53 8.42 3ha1A1 ASN 358 HA 0.01 0.16 0.16 -0.75 4.76 4.35 3ha1A1 ASN 358 HB2 0.00 0.03 -0.10 -0.04 2.88 2.77 3ha1A1 ASN 358 HB3 0.02 -0.03 -0.14 -0.04 2.79 2.60 3ha1A1 ASN 358 HD21 -0.03 0.39 -0.08 -0.04 7.03 7.28 3ha1A1 ASN 358 HD22 0.01 -0.12 -0.03 -0.04 7.74 7.55 3ha1A1 TYR 359 H 0.35 0.09 -0.18 -0.55 8.29 7.99 3ha1A1 TYR 359 HA 0.03 0.08 0.34 -0.75 4.56 4.25 3ha1A1 TYR 359 HB2 -0.04 -0.03 -0.04 -0.04 3.06 2.92 3ha1A1 TYR 359 HB3 -0.13 0.05 -0.09 -0.04 2.98 2.77 3ha1A1 TYR 359 HD2 -0.03 -0.03 0.02 -0.04 7.15 7.06 3ha1A1 TYR 359 HE2 0.17 0.08 0.09 -0.04 6.85 7.15 3ha1A1 GLU 360 H 0.10 0.19 -0.30 -0.55 8.60 8.04 3ha1A1 GLU 360 HA -0.00 0.08 0.43 -0.75 4.29 4.04 3ha1A1 GLU 360 HB2 -0.01 -0.06 0.07 -0.04 2.09 2.05 3ha1A1 GLU 360 HB3 -0.01 0.05 0.12 -0.04 1.99 2.10 3ha1A1 GLU 360 HG2 -0.04 0.07 -0.15 -0.04 2.34 2.17 3ha1A1 GLU 360 HG3 -0.03 -0.01 0.03 -0.04 2.34 2.30 3ha1A1 ILE 361 H -0.00 0.21 -0.17 -0.55 8.25 7.74 3ha1A1 ILE 361 HA -0.07 0.08 0.23 -0.75 4.18 3.67 3ha1A1 ILE 361 HB -0.03 0.02 0.15 -0.04 1.89 1.99 3ha1A1 ILE 361 HG12 -0.07 0.02 -0.09 -0.04 1.49 1.30 3ha1A1 ILE 361 HG13 -0.12 -0.02 -0.15 -0.04 1.21 0.87 3ha1A1 ILE 361 HG23 -0.07 0.01 -0.14 -0.04 0.93 0.69 3ha1A1 ILE 361 HD13 -0.21 0.02 -0.17 -0.04 0.88 0.48 3ha1A1 ILE 362 H 0.00 0.42 -0.07 -0.55 8.25 8.05 3ha1A1 ILE 362 HA -0.01 0.07 0.35 -0.75 4.18 3.83 3ha1A1 ILE 362 HB -0.00 0.21 0.02 -0.04 1.89 2.07 3ha1A1 ILE 362 HG12 0.03 0.07 0.09 -0.04 1.49 1.64 3ha1A1 ILE 362 HG13 0.03 0.06 -0.05 -0.04 1.21 1.21 3ha1A1 ILE 362 HG23 0.02 -0.03 0.01 -0.04 0.93 0.89 3ha1A1 ILE 362 HD13 0.12 -0.04 -0.02 -0.04 0.88 0.89 3ha1A1 THR 363 H -0.01 0.35 -0.27 -0.55 8.28 7.80 3ha1A1 THR 363 HA -0.01 0.05 0.05 -0.75 4.39 3.72 3ha1A1 THR 363 HB -0.05 0.01 0.07 -0.04 4.32 4.31 3ha1A1 THR 363 HG23 -0.06 0.02 0.03 -0.04 1.22 1.17 3ha1A1 THR 364 H -0.00 0.38 -0.39 -0.55 8.28 7.72 3ha1A1 THR 364 HA 0.03 0.06 0.38 -0.75 4.39 4.11 3ha1A1 THR 364 HB 0.02 -0.10 0.13 -0.04 4.32 4.34 3ha1A1 THR 364 HG23 -0.01 -0.04 -0.03 -0.04 1.22 1.11 3ha1A1 ILE 365 H 0.03 0.32 -0.47 -0.55 8.25 7.58 3ha1A1 ILE 365 HA 0.09 0.13 0.60 -0.75 4.18 4.25 3ha1A1 ILE 365 HB 0.02 0.09 0.16 -0.04 1.89 2.12 3ha1A1 ILE 365 HG12 0.08 -0.07 -0.03 -0.04 1.49 1.43 3ha1A1 ILE 365 HG13 0.02 0.16 0.08 -0.04 1.21 1.43 3ha1A1 ILE 365 HG23 0.03 -0.01 -0.05 -0.04 0.93 0.86 3ha1A1 ILE 365 HD13 -0.03 -0.03 -0.02 -0.04 0.88 0.76 3ha1A1 SER 366 H 0.12 0.48 0.16 -0.55 8.46 8.68 3ha1A1 SER 366 HA 0.18 0.04 0.23 -0.75 4.49 4.19 3ha1A1 SER 366 HB2 0.16 0.10 0.01 -0.04 3.95 4.18 3ha1A1 SER 366 HB3 0.16 -0.09 0.27 -0.04 3.93 4.22 3ha1A1 PHE 367 H 0.52 0.13 0.15 -0.55 8.34 8.59 3ha1A1 PHE 367 HA 0.26 0.17 0.30 -0.75 4.62 4.60 3ha1A1 PHE 367 HB2 0.20 -0.03 0.12 -0.04 3.15 3.40 3ha1A1 PHE 367 HB3 0.08 0.01 0.13 -0.04 3.06 3.25 3ha1A1 PHE 367 HD2 0.07 -0.05 -0.02 -0.04 7.28 7.24 3ha1A1 PHE 367 HE2 0.06 0.02 -0.05 -0.04 7.38 7.37 3ha1A1 PHE 367 HZ 0.06 0.01 -0.04 -0.04 7.32 7.30 3ha1A1 ARG 368 H 0.14 0.02 -0.71 -0.55 8.46 7.36 3ha1A1 ARG 368 HA -0.31 -0.02 0.43 -0.75 4.34 3.68 3ha1A1 ARG 368 HB2 0.04 0.04 -0.10 -0.04 1.90 1.83 3ha1A1 ARG 368 HB3 -0.03 -0.01 -0.08 -0.04 1.80 1.64 3ha1A1 ARG 368 HG2 -0.21 -0.03 -0.02 -0.04 1.67 1.37 3ha1A1 ARG 368 HG3 0.09 0.06 -0.03 -0.04 1.67 1.75 3ha1A1 ARG 368 HD2 -0.02 -0.00 -0.03 -0.04 3.22 3.13 3ha1A1 ARG 368 HD3 0.04 -0.03 -0.05 -0.04 3.22 3.14 3ha1A1 VAL 369 H 0.06 0.62 -0.18 -0.55 8.24 8.19 3ha1A1 VAL 369 HA -0.02 0.15 0.80 -0.75 4.13 4.31 3ha1A1 VAL 369 HB 0.02 0.10 0.05 -0.04 2.12 2.24 3ha1A1 VAL 369 HG13 -0.04 0.03 -0.19 -0.04 0.97 0.73 3ha1A1 VAL 369 HG23 0.04 -0.03 -0.01 -0.04 0.95 0.91 3ha1A1 PRO 370 HA -0.16 0.13 0.67 -0.51 4.44 4.57 3ha1A1 PRO 370 HB2 -0.74 -0.02 0.10 -0.04 2.28 1.58 3ha1A1 PRO 370 HB3 -0.43 0.03 0.04 -0.04 2.02 1.62 3ha1A1 PRO 370 HG2 -0.48 0.02 0.21 -0.04 2.03 1.74 3ha1A1 PRO 370 HG3 -0.11 -0.05 0.16 -0.04 2.03 1.99 3ha1A1 PRO 370 HD2 -0.11 0.36 0.41 -0.04 3.68 4.29 3ha1A1 PRO 370 HD3 -0.05 0.26 0.41 -0.04 3.65 4.23 3ha1A1 ARG 371 H -0.16 0.54 0.43 -0.55 8.46 8.71 3ha1A1 ARG 371 HA -0.21 0.25 1.10 -0.75 4.34 4.73 3ha1A1 ARG 371 HB2 -0.08 -0.06 0.20 -0.04 1.90 1.91 3ha1A1 ARG 371 HB3 -0.80 -0.03 -0.09 -0.04 1.80 0.85 3ha1A1 ARG 371 HG2 -0.05 0.04 -0.11 -0.04 1.67 1.50 3ha1A1 ARG 371 HG3 -0.21 -0.01 0.01 -0.04 1.67 1.41 3ha1A1 ARG 371 HD2 -0.09 0.04 -0.35 -0.04 3.22 2.78 3ha1A1 ARG 371 HD3 -0.07 -0.06 -0.04 -0.04 3.22 3.00 3ha1A1 ILE 372 H -0.19 0.82 0.40 -0.55 8.25 8.72 3ha1A1 ILE 372 HA -0.10 0.23 1.16 -0.75 4.18 4.71 3ha1A1 ILE 372 HB 0.03 -0.04 0.18 -0.04 1.89 2.01 3ha1A1 ILE 372 HG12 -0.20 0.04 -0.10 -0.04 1.49 1.18 3ha1A1 ILE 372 HG13 -0.18 0.03 -0.14 -0.04 1.21 0.88 3ha1A1 ILE 372 HG23 -0.04 -0.00 -0.08 -0.04 0.93 0.76 3ha1A1 ILE 372 HD13 -0.66 -0.01 -0.08 -0.04 0.88 0.08 3ha1A1 PHE 373 H 0.14 0.71 0.41 -0.55 8.34 9.05 3ha1A1 PHE 373 HA 0.05 0.27 0.95 -0.75 4.62 5.14 3ha1A1 PHE 373 HB2 0.02 -0.04 0.21 -0.04 3.15 3.30 3ha1A1 PHE 373 HB3 0.04 -0.03 0.01 -0.04 3.06 3.04 3ha1A1 PHE 373 HD2 0.03 0.05 -0.13 -0.04 7.28 7.19 3ha1A1 PHE 373 HE2 0.02 0.07 -0.03 -0.04 7.38 7.40 3ha1A1 PHE 373 HZ 0.01 0.04 0.02 -0.04 7.32 7.35 3ha1A1 ILE 374 H 0.12 0.65 0.49 -0.55 8.25 8.97 3ha1A1 ILE 374 HA 0.07 0.35 0.82 -0.75 4.18 4.66 3ha1A1 ILE 374 HB 0.07 -0.10 0.14 -0.04 1.89 1.96 3ha1A1 ILE 374 HG12 0.06 0.08 -0.14 -0.04 1.49 1.45 3ha1A1 ILE 374 HG13 0.06 0.01 -0.15 -0.04 1.21 1.09 3ha1A1 ILE 374 HG23 0.04 -0.03 -0.30 -0.04 0.93 0.60 3ha1A1 ILE 374 HD13 0.04 0.02 -0.46 -0.04 0.88 0.44 3ha1A1 ARG 375 H 0.04 0.77 0.23 -0.55 8.46 8.95 3ha1A1 ARG 375 HA 0.02 -0.05 0.83 -0.75 4.34 4.39 3ha1A1 ARG 375 HB2 0.04 0.01 -0.13 -0.04 1.90 1.79 3ha1A1 ARG 375 HB3 0.02 0.09 0.08 -0.04 1.80 1.95 3ha1A1 ARG 375 HG2 -0.03 0.07 -0.05 -0.04 1.67 1.62 3ha1A1 ARG 375 HG3 -0.04 -0.01 -0.06 -0.04 1.67 1.51 3ha1A1 ARG 375 HD2 -0.02 -0.12 -0.06 -0.04 3.22 2.98 3ha1A1 ARG 375 HD3 0.00 0.03 -0.05 -0.04 3.22 3.16 3ha1A1 ASN 376 H -0.02 0.13 0.14 -0.55 8.53 8.24 3ha1A1 ASN 376 HA -0.02 0.05 0.35 -0.75 4.76 4.38 3ha1A1 ASN 376 HB2 -0.02 0.17 -0.10 -0.04 2.88 2.88 3ha1A1 ASN 376 HB3 -0.02 0.03 0.19 -0.04 2.79 2.95 3ha1A1 ASN 376 HD21 -0.07 0.05 -0.06 -0.04 7.03 6.90 3ha1A1 ASN 376 HD22 -0.04 0.06 -0.14 -0.04 7.74 7.58 3ha1A1 GLY 377 H 0.01 -0.06 -0.51 -0.55 8.43 7.33 3ha1A1 GLY 377 HA2 0.02 -0.03 0.21 -0.51 4.01 3.69 3ha1A1 GLY 377 HA3 0.01 0.12 0.35 -0.51 4.01 3.98 3ha1A1 LYS 378 H 0.01 0.45 -0.31 -0.55 8.42 8.01 3ha1A1 LYS 378 HA 0.01 0.14 0.85 -0.75 4.32 4.56 3ha1A1 VAL 379 H 0.01 0.14 0.15 -0.55 8.24 7.98 3ha1A1 VAL 379 HA 0.04 0.17 0.69 -0.75 4.13 4.27 3ha1A1 VAL 379 HB -0.00 -0.01 0.15 -0.04 2.12 2.22 3ha1A1 VAL 379 HG13 0.02 0.01 -0.16 -0.04 0.97 0.80 3ha1A1 VAL 379 HG23 -0.01 -0.00 -0.01 -0.04 0.95 0.88 3ha1A1 VAL 380 H 0.09 0.55 0.45 -0.55 8.24 8.78 3ha1A1 VAL 380 HA 0.03 0.19 0.88 -0.75 4.13 4.48 3ha1A1 VAL 380 HB 0.02 -0.00 0.04 -0.04 2.12 2.14 3ha1A1 VAL 380 HG13 0.02 0.01 -0.08 -0.04 0.97 0.88 3ha1A1 VAL 380 HG23 0.08 0.01 -0.09 -0.04 0.95 0.91 3ha1A1 GLU 381 H 0.13 0.22 0.27 -0.55 8.60 8.67 3ha1A1 GLU 381 HA 0.06 0.14 0.54 -0.75 4.29 4.28 3ha1A1 VAL 382 H 0.08 0.31 0.20 -0.55 8.24 8.28 3ha1A1 VAL 382 HA 0.10 0.28 1.00 -0.75 4.13 4.76 3ha1A1 VAL 382 HB 0.07 0.12 0.15 -0.04 2.12 2.41 3ha1A1 VAL 382 HG13 0.04 -0.01 -0.14 -0.04 0.97 0.81 3ha1A1 VAL 382 HG23 0.05 -0.03 -0.10 -0.04 0.95 0.83 3ha1A1 ILE 383 H 0.10 0.69 0.30 -0.55 8.25 8.79 3ha1A1 ILE 383 HA 0.00 0.19 0.80 -0.75 4.18 4.42 3ha1A1 ILE 383 HB 0.03 -0.01 0.17 -0.04 1.89 2.04 3ha1A1 ILE 383 HG12 0.01 0.08 0.02 -0.04 1.49 1.56 3ha1A1 ILE 383 HG13 0.12 -0.03 -0.33 -0.04 1.21 0.92 3ha1A1 ILE 383 HG23 -0.37 -0.03 -0.15 -0.04 0.93 0.34 3ha1A1 ILE 383 HD13 -0.06 -0.01 -0.03 -0.04 0.88 0.74 3ha1A1 ASN 384 H -0.01 0.28 -0.06 -0.55 8.53 8.20 3ha1A1 ASN 384 HA -0.08 0.17 0.88 -0.75 4.76 4.97 3ha1A1 ASN 384 HB2 0.02 0.11 -0.07 -0.04 2.88 2.90 3ha1A1 ASN 384 HB3 0.04 0.04 0.17 -0.04 2.79 3.00 3ha1A1 ASN 384 HD21 0.10 -0.11 0.10 -0.04 7.03 7.07 3ha1A1 ASN 384 HD22 0.09 0.68 0.34 -0.04 7.74 8.81 3ha1A1 TYR 385 H -0.05 0.33 0.00 -0.55 8.29 8.03 3ha1A1 TYR 385 HA 0.10 0.05 0.31 -0.75 4.56 4.27 3ha1A1 TYR 385 HB2 0.13 0.26 0.15 -0.04 3.06 3.56 3ha1A1 TYR 385 HB3 0.26 -0.04 0.03 -0.04 2.98 3.18 3ha1A1 TYR 385 HD2 0.17 0.05 0.04 -0.04 7.15 7.37 3ha1A1 TYR 385 HE2 0.14 0.02 -0.01 -0.04 6.85 6.97 3ha1A1 LEU 386 H 0.02 0.16 -0.25 -0.55 8.37 7.76 3ha1A1 LEU 386 HA -0.01 0.04 0.47 -0.75 4.35 4.10 3ha1A1 LEU 386 HB2 0.00 0.02 0.05 -0.04 1.64 1.67 3ha1A1 LEU 386 HB3 -0.02 0.01 0.04 -0.04 1.64 1.63 3ha1A1 LEU 386 HG -0.20 0.09 0.09 -0.04 1.64 1.58 3ha1A1 LEU 386 HD13 -0.08 -0.01 0.05 -0.04 0.93 0.86 3ha1A1 LEU 386 HD23 -0.54 -0.02 -0.07 -0.04 0.89 0.22 3ha1A1 ASN 387 H 0.07 0.26 -0.21 -0.55 8.53 8.11 3ha1A1 ASN 387 HA 0.08 0.01 0.33 -0.75 4.76 4.43 3ha1A1 ASN 387 HB2 0.08 0.26 0.14 -0.04 2.88 3.32 3ha1A1 ASN 387 HB3 0.08 -0.02 -0.08 -0.04 2.79 2.73 3ha1A1 ASN 387 HD21 0.12 -0.02 0.05 -0.04 7.03 7.13 3ha1A1 ASN 387 HD22 0.09 -0.01 0.08 -0.04 7.74 7.86 3ha1A1 ASP 388 H 0.13 0.27 -0.71 -0.55 8.40 7.54 3ha1A1 ASP 388 HA 0.09 0.15 0.61 -0.75 4.63 4.73 3ha1A1 ASP 388 HB2 0.19 0.07 0.06 -0.04 2.71 2.98 3ha1A1 ASP 388 HB3 0.12 -0.04 0.10 -0.04 2.70 2.83 3ha1A1 ILE 389 H 0.11 0.29 -0.14 -0.55 8.25 7.96 3ha1A1 ILE 389 HA 0.09 0.06 0.34 -0.75 4.18 3.92 3ha1A1 ILE 389 HB 0.09 0.12 0.10 -0.04 1.89 2.16 3ha1A1 ILE 389 HG12 0.17 -0.05 0.01 -0.04 1.49 1.58 3ha1A1 ILE 389 HG13 0.16 0.08 0.07 -0.04 1.21 1.48 3ha1A1 ILE 389 HG23 0.08 -0.02 0.04 -0.04 0.93 0.99 3ha1A1 ILE 389 HD13 0.16 -0.01 0.04 -0.04 0.88 1.03