============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. HIS 10 0.900 84.643 -43.525 -78.783 -99.200 -91.000 PHE 58 1.000 141.850 -46.063-100.661 -99.200 -91.000 TYR 60 0.840 149.755 -39.139-103.394 -99.200 -91.000 TYR 62 0.840 148.963 -48.642-109.722 -99.200 -91.000 TRP 68 1.040 161.603 -45.543-106.084 -99.200 -91.000 TRP6 68 1.020 161.979 -47.867-105.898 -99.200 -91.000 TYR 85 0.840 182.859 -44.898-117.806 -99.200 -91.000 HIS 92 0.900 194.009 -47.133-119.358 -99.200 -91.000 TYR 95 0.840 199.235 -51.726-123.265 -99.200 -91.000 TYR 135 0.840 254.135 -54.260-129.187 -99.200 -91.000 TYR 168 0.840 264.955 -67.618-158.462 -99.200 -91.000 TYR 179 0.840 260.351 -55.754-162.200 -99.200 -91.000 TYR 182 0.840 258.474 -66.567-153.936 -99.200 -91.000 TRP 192 1.040 253.239 -70.964-162.793 -99.200 -91.000 TRP6 192 1.020 251.747 -69.981-164.319 -99.200 -91.000 PHE 205 1.000 247.425 -56.045-151.069 -99.200 -91.000 TRP 209 1.040 246.818 -43.737-160.524 -99.200 -91.000 TRP6 209 1.020 245.173 -45.064-161.570 -99.200 -91.000 TYR 212 0.840 246.308 -50.888-155.187 -99.200 -91.000 PHE 216 1.000 250.067 -51.980-152.483 -99.200 -91.000 TYR 228 0.840 267.648 -69.719-149.524 -99.200 -91.000 TYR 235 0.840 254.816 -59.586-154.457 -99.200 -91.000 TRP 236 1.040 249.312 -54.042-157.230 -99.200 -91.000 TRP6 236 1.020 247.924 -55.667-158.234 -99.200 -91.000 TRP 260 1.040 240.119 -67.735-143.599 -99.200 -91.000 TRP6 260 1.020 241.754 -66.976-142.096 -99.200 -91.000 HIS 268 0.900 245.870 -71.863-166.411 -99.200 -91.000 TYR 269 0.840 240.505 -66.103-166.392 -99.200 -91.000 PHE 272 1.000 246.753 -60.520-166.599 -99.200 -91.000 TYR 281 0.840 248.302 -48.457-164.651 -99.200 -91.000 TYR 288 0.840 237.670 -70.201-166.013 -99.200 -91.000 HIS 313 0.900 235.944 -58.165-161.759 -99.200 -91.000 PHE 317 1.000 239.057 -47.910-168.619 -99.200 -91.000 PHE 318 1.000 244.112 -51.522-160.270 -99.200 -91.000 TYR 321 0.840 242.095 -44.660-150.298 -99.200 -91.000 TRP 328 1.040 227.743 -47.086-158.051 -99.200 -91.000 TRP6 328 1.020 228.359 -47.485-155.801 -99.200 -91.000 TRP 345 1.040 239.418 -56.289-158.875 -99.200 -91.000 TRP6 345 1.020 241.226 -57.785-158.878 -99.200 -91.000 TRP 346 1.040 241.729 -53.993-164.141 -99.200 -91.000 TRP6 346 1.020 243.540 -55.324-163.483 -99.200 -91.000 TYR 347 0.840 237.084 -52.535-156.802 -99.200 -91.000 HIS 351 0.900 233.503 -57.497-155.271 -99.200 -91.000 TYR 359 0.840 244.234 -62.716-144.561 -99.200 -91.000 TYR 360 0.840 236.436 -58.565-143.449 -99.200 -91.000 TRP 361 1.040 242.451 -65.218-138.163 -99.200 -91.000 TRP6 361 1.020 244.654 -64.607-138.756 -99.200 -91.000 TYR 365 0.840 233.423 -60.582-145.781 -99.200 -91.000 TRP 367 1.040 224.439 -56.790-142.142 -99.200 -91.000 TRP6 367 1.020 224.077 -54.539-141.535 -99.200 -91.000 HIS 372 0.900 233.364 -46.985-146.391 -99.200 -91.000 TRP 380 1.040 236.891 -66.796-158.013 -99.200 -91.000 TRP6 380 1.020 238.473 -65.377-158.999 -99.200 -91.000 TRP 383 1.040 235.621 -72.328-154.092 -99.200 -91.000 TRP6 383 1.020 237.318 -72.067-152.464 -99.200 -91.000 TRP 387 1.040 227.648 -61.544-147.673 -99.200 -91.000 TRP6 387 1.020 228.223 -59.329-147.097 -99.200 -91.000 TYR 388 0.840 235.228 -68.557-146.721 -99.200 -91.000 PHE 400 1.000 248.902 -70.229-174.228 -99.200 -91.000 PHE 401 1.000 255.219 -68.113-176.137 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3ghgK1 LYS 58 HA 0.00 -0.07 0.17 -0.75 4.32 3.67 3ghgK1 LYS 58 HB2 0.00 -0.02 0.02 -0.04 1.87 1.83 3ghgK1 LYS 58 HB3 0.00 -0.01 -0.11 -0.04 1.79 1.62 3ghgK1 LYS 58 HG2 0.00 -0.05 0.07 -0.04 1.46 1.44 3ghgK1 LYS 58 HG3 0.00 -0.01 -0.00 -0.04 1.46 1.41 3ghgK1 LYS 58 HD2 0.00 -0.04 -0.14 -0.04 1.69 1.47 3ghgK1 LYS 58 HD3 0.00 0.08 -0.31 -0.04 1.68 1.41 3ghgK1 LYS 58 HE2 0.00 -0.04 -0.01 -0.04 2.99 2.90 3ghgK1 LYS 58 HE3 0.00 -0.03 -0.03 -0.04 2.99 2.89 3ghgK1 ALA 59 H 0.00 0.12 0.08 -0.55 8.40 8.06 3ghgK1 ALA 59 HA 0.00 0.23 0.92 -0.75 4.34 4.74 3ghgK1 ALA 59 HB3 0.00 -0.00 0.05 -0.04 1.41 1.41 3ghgK1 PRO 60 HA 0.00 0.13 0.62 -0.51 4.44 4.68 3ghgK1 PRO 60 HB2 0.00 -0.02 -0.04 -0.04 2.28 2.18 3ghgK1 PRO 60 HB3 0.00 0.03 -0.01 -0.04 2.02 2.00 3ghgK1 PRO 60 HG2 0.00 0.01 0.01 -0.04 2.03 2.01 3ghgK1 PRO 60 HG3 0.00 0.04 0.02 -0.04 2.03 2.06 3ghgK1 PRO 60 HD2 0.00 0.08 0.22 -0.04 3.68 3.94 3ghgK1 PRO 60 HD3 0.00 0.27 0.13 -0.04 3.65 4.01 3ghgK1 ASP 61 H 0.00 0.18 0.03 -0.55 8.40 8.06 3ghgK1 ASP 61 HA 0.00 0.06 0.55 -0.75 4.63 4.49 3ghgK1 ASP 61 HB2 0.00 0.12 -0.37 -0.04 2.71 2.42 3ghgK1 ASP 61 HB3 0.00 -0.03 0.03 -0.04 2.70 2.66 3ghgK1 ALA 62 H 0.00 0.31 0.17 -0.55 8.40 8.33 3ghgK1 ALA 62 HA 0.00 0.09 0.48 -0.75 4.34 4.16 3ghgK1 ALA 62 HB3 0.00 0.02 -0.04 -0.04 1.41 1.36 3ghgK1 GLY 63 H 0.00 0.12 0.08 -0.55 8.43 8.09 3ghgK1 GLY 63 HA2 0.00 -0.03 0.42 -0.51 4.01 3.89 3ghgK1 GLY 63 HA3 0.00 0.18 0.90 -0.51 4.01 4.58 3ghgK1 GLY 64 H 0.01 0.16 0.22 -0.55 8.43 8.27 3ghgK1 GLY 64 HA2 0.01 -0.01 0.41 -0.51 4.01 3.91 3ghgK1 GLY 64 HA3 0.01 0.31 0.71 -0.51 4.01 4.53 3ghgK1 CYS 65 H 0.02 0.21 0.25 -0.55 8.50 8.43 3ghgK1 CYS 65 HA 0.01 0.21 0.82 -0.75 4.58 4.86 3ghgK1 CYS 65 HB2 0.01 -0.04 0.16 -0.04 2.97 3.07 3ghgK1 CYS 65 HB3 0.01 0.05 0.05 -0.04 2.97 3.04 3ghgK1 LEU 66 H 0.01 0.22 0.13 -0.55 8.37 8.19 3ghgK1 LEU 66 HA 0.04 0.20 0.77 -0.75 4.35 4.61 3ghgK1 LEU 66 HB2 0.02 0.02 -0.08 -0.04 1.64 1.56 3ghgK1 LEU 66 HB3 0.01 -0.05 0.02 -0.04 1.64 1.59 3ghgK1 LEU 66 HG 0.01 -0.02 -0.23 -0.04 1.64 1.35 3ghgK1 LEU 66 HD13 0.03 0.03 -0.18 -0.04 0.93 0.77 3ghgK1 LEU 66 HD23 0.01 -0.00 -0.06 -0.04 0.89 0.79 3ghgK1 HIS 67 H 0.13 0.83 0.23 -0.55 8.41 9.05 3ghgK1 HIS 67 HA -0.00 0.04 0.43 -0.75 4.63 4.34 3ghgK1 HIS 67 HB2 -0.00 0.09 0.15 -0.04 3.26 3.46 3ghgK1 HIS 67 HB3 -0.00 -0.04 0.02 -0.04 3.20 3.14 3ghgK1 HIS 67 HD2 -0.00 0.01 -0.20 -0.04 6.97 6.73 3ghgK1 HIS 67 HE1 -0.00 0.01 -0.01 -0.04 7.75 7.70 3ghgK1 ALA 68 H -0.33 0.14 0.10 -0.55 8.40 7.76 3ghgK1 ALA 68 HA -0.01 0.15 0.55 -0.75 4.34 4.28 3ghgK1 ALA 68 HB3 -0.07 0.01 0.17 -0.04 1.41 1.47 3ghgK1 ASP 69 H 0.09 0.47 -0.54 -0.55 8.40 7.87 3ghgK1 ASP 69 HA 0.05 0.14 0.54 -0.75 4.63 4.61 3ghgK1 ASP 69 HB2 0.17 0.15 -0.26 -0.04 2.71 2.73 3ghgK1 ASP 69 HB3 0.21 -0.09 -0.03 -0.04 2.70 2.75 3ghgK1 PRO 70 HA 0.02 0.11 0.16 -0.51 4.44 4.22 3ghgK1 PRO 70 HB2 0.01 0.01 -0.03 -0.04 2.28 2.24 3ghgK1 PRO 70 HB3 0.01 0.05 0.07 -0.04 2.02 2.12 3ghgK1 PRO 70 HG2 0.01 0.04 0.03 -0.04 2.03 2.08 3ghgK1 PRO 70 HG3 0.01 0.05 0.03 -0.04 2.03 2.09 3ghgK1 PRO 70 HD2 0.02 0.11 0.11 -0.04 3.68 3.88 3ghgK1 PRO 70 HD3 0.03 0.13 0.01 -0.04 3.65 3.77 3ghgK1 ASP 71 H 0.02 -0.02 -0.43 -0.55 8.40 7.42 3ghgK1 ASP 71 HA 0.00 0.06 0.56 -0.75 4.63 4.49 3ghgK1 ASP 71 HB2 0.00 -0.07 0.04 -0.04 2.71 2.64 3ghgK1 ASP 71 HB3 -0.01 0.01 -0.01 -0.04 2.70 2.65 3ghgK1 LEU 72 H -0.00 0.19 -0.05 -0.55 8.37 7.96 3ghgK1 LEU 72 HA -0.03 0.12 0.64 -0.75 4.35 4.33 3ghgK1 LEU 72 HB2 -0.05 0.04 0.15 -0.04 1.64 1.74 3ghgK1 LEU 72 HB3 -0.08 -0.05 0.12 -0.04 1.64 1.59 3ghgK1 LEU 72 HG -0.08 -0.05 -0.01 -0.04 1.64 1.46 3ghgK1 LEU 72 HD13 -0.38 -0.01 -0.01 -0.04 0.93 0.50 3ghgK1 LEU 72 HD23 -0.07 0.02 -0.06 -0.04 0.89 0.74 3ghgK1 GLY 73 H 0.02 0.10 0.04 -0.55 8.43 8.05 3ghgK1 GLY 73 HA2 0.04 0.06 0.26 -0.51 4.01 3.87 3ghgK1 GLY 73 HA3 0.02 0.16 0.60 -0.51 4.01 4.28 3ghgK1 VAL 74 H 0.02 0.18 0.13 -0.55 8.24 8.02 3ghgK1 VAL 74 HA 0.03 0.27 0.94 -0.75 4.13 4.62 3ghgK1 VAL 74 HB 0.01 -0.02 0.08 -0.04 2.12 2.15 3ghgK1 VAL 74 HG13 0.01 0.03 -0.21 -0.04 0.97 0.77 3ghgK1 VAL 74 HG23 0.01 -0.01 -0.02 -0.04 0.95 0.90 3ghgK1 LEU 75 H 0.03 0.43 0.28 -0.55 8.37 8.56 3ghgK1 LEU 75 HA 0.00 0.15 0.94 -0.75 4.35 4.69 3ghgK1 LEU 75 HB2 0.03 -0.11 0.13 -0.04 1.64 1.65 3ghgK1 LEU 75 HB3 0.01 0.05 -0.01 -0.04 1.64 1.65 3ghgK1 LEU 75 HG 0.03 0.04 -0.19 -0.04 1.64 1.48 3ghgK1 LEU 75 HD13 -0.01 -0.01 -0.04 -0.04 0.93 0.83 3ghgK1 LEU 75 HD23 -0.03 0.04 -0.10 -0.04 0.89 0.76 3ghgK1 CYS 76 H 0.00 0.13 0.14 -0.55 8.50 8.22 3ghgK1 CYS 76 HA 0.01 0.33 0.67 -0.75 4.58 4.84 3ghgK1 CYS 76 HB2 0.00 -0.06 0.05 -0.04 2.97 2.92 3ghgK1 CYS 76 HB3 0.00 0.09 0.06 -0.04 2.97 3.08 3ghgK1 PRO 77 HA 0.00 -0.03 0.41 -0.51 4.44 4.31 3ghgK1 PRO 77 HB2 0.00 -0.00 -0.10 -0.04 2.28 2.14 3ghgK1 PRO 77 HB3 0.00 0.01 0.07 -0.04 2.02 2.06 3ghgK1 PRO 77 HG2 0.00 -0.01 0.05 -0.04 2.03 2.04 3ghgK1 PRO 77 HG3 0.00 0.07 0.08 -0.04 2.03 2.14 3ghgK1 PRO 77 HD2 0.00 0.10 0.24 -0.04 3.68 3.99 3ghgK1 PRO 77 HD3 0.00 0.28 0.15 -0.04 3.65 4.04 3ghgK1 THR 78 H 0.00 0.06 0.20 -0.55 8.28 7.99 3ghgK1 THR 78 HA -0.00 0.25 0.71 -0.75 4.39 4.59 3ghgK1 THR 78 HB -0.00 -0.03 0.16 -0.04 4.32 4.41 3ghgK1 THR 78 HG23 -0.00 0.05 0.07 -0.04 1.22 1.30 3ghgK1 GLY 79 H -0.00 0.24 0.17 -0.55 8.43 8.29 3ghgK1 GLY 79 HA2 -0.00 0.12 0.37 -0.51 4.01 3.98 3ghgK1 GLY 79 HA3 -0.00 0.12 0.36 -0.51 4.01 3.98 3ghgK1 CYS 80 H -0.00 0.11 -0.22 -0.55 8.50 7.83 3ghgK1 CYS 80 HA 0.00 0.08 0.36 -0.75 4.58 4.26 3ghgK1 CYS 80 HB2 0.00 -0.03 0.03 -0.04 2.97 2.92 3ghgK1 CYS 80 HB3 0.00 0.07 -0.01 -0.04 2.97 2.99 3ghgK1 GLN 81 H 0.00 0.27 -0.25 -0.55 8.47 7.95 3ghgK1 GLN 81 HA 0.00 0.08 0.55 -0.75 4.36 4.23 3ghgK1 GLN 81 HB2 0.00 0.06 0.11 -0.04 2.15 2.28 3ghgK1 GLN 81 HB3 0.00 0.03 0.07 -0.04 2.02 2.09 3ghgK1 GLN 81 HG2 0.00 -0.10 0.05 -0.04 2.40 2.32 3ghgK1 GLN 81 HG3 0.00 0.03 0.05 -0.04 2.39 2.43 3ghgK1 GLN 81 HE21 0.00 0.03 -0.01 -0.04 6.97 6.95 3ghgK1 GLN 81 HE22 0.00 0.02 0.04 -0.04 7.69 7.71 3ghgK1 LEU 82 H 0.00 0.37 -0.18 -0.55 8.37 8.02 3ghgK1 LEU 82 HA 0.00 0.11 0.63 -0.75 4.35 4.33 3ghgK1 LEU 82 HB2 0.00 -0.01 0.13 -0.04 1.64 1.72 3ghgK1 LEU 82 HB3 0.00 0.00 -0.01 -0.04 1.64 1.59 3ghgK1 LEU 82 HG 0.00 0.02 -0.23 -0.04 1.64 1.38 3ghgK1 LEU 82 HD13 0.00 0.00 -0.06 -0.04 0.93 0.83 3ghgK1 LEU 82 HD23 0.00 0.01 -0.04 -0.04 0.89 0.82 3ghgK1 GLN 83 H 0.00 0.96 0.18 -0.55 8.47 9.06 3ghgK1 GLN 83 HA 0.00 0.05 0.40 -0.75 4.36 4.05 3ghgK1 GLN 83 HB2 0.00 -0.01 0.07 -0.04 2.15 2.17 3ghgK1 GLN 83 HB3 -0.00 -0.01 0.09 -0.04 2.02 2.05 3ghgK1 GLN 83 HG2 -0.00 -0.08 -0.17 -0.04 2.40 2.11 3ghgK1 GLN 83 HG3 0.00 0.11 0.04 -0.04 2.39 2.50 3ghgK1 GLN 83 HE21 -0.00 0.01 -0.03 -0.04 6.97 6.91 3ghgK1 GLN 83 HE22 -0.00 -0.09 -0.04 -0.04 7.69 7.52 3ghgK1 GLU 84 H 0.00 0.32 -0.41 -0.55 8.60 7.97 3ghgK1 GLU 84 HA 0.00 0.09 0.68 -0.75 4.29 4.30 3ghgK1 GLU 84 HB2 0.00 0.17 0.16 -0.04 2.09 2.38 3ghgK1 GLU 84 HB3 0.00 0.02 0.07 -0.04 1.99 2.04 3ghgK1 GLU 84 HG2 0.00 -0.01 -0.04 -0.04 2.34 2.25 3ghgK1 GLU 84 HG3 0.00 -0.04 0.03 -0.04 2.34 2.29 3ghgK1 ALA 85 H 0.00 0.38 -0.18 -0.55 8.40 8.06 3ghgK1 ALA 85 HA 0.00 0.03 0.53 -0.75 4.34 4.15 3ghgK1 ALA 85 HB3 0.00 0.03 0.18 -0.04 1.41 1.58 3ghgK1 LEU 86 H 0.00 0.39 -0.27 -0.55 8.37 7.94 3ghgK1 LEU 86 HA 0.00 0.11 0.66 -0.75 4.35 4.37 3ghgK1 LEU 86 HB2 0.00 0.06 0.10 -0.04 1.64 1.76 3ghgK1 LEU 86 HB3 0.00 -0.00 -0.09 -0.04 1.64 1.51 3ghgK1 LEU 86 HG 0.00 0.03 -0.01 -0.04 1.64 1.62 3ghgK1 LEU 86 HD13 0.00 -0.01 -0.05 -0.04 0.93 0.84 3ghgK1 LEU 86 HD23 0.00 0.00 -0.01 -0.04 0.89 0.84 3ghgK1 LEU 87 H 0.00 0.38 -0.13 -0.55 8.37 8.08 3ghgK1 LEU 87 HA 0.00 -0.00 0.46 -0.75 4.35 4.05 3ghgK1 LEU 87 HB2 0.00 0.29 0.29 -0.04 1.64 2.18 3ghgK1 LEU 87 HB3 0.00 0.07 0.06 -0.04 1.64 1.73 3ghgK1 LEU 87 HG 0.00 -0.03 0.10 -0.04 1.64 1.67 3ghgK1 LEU 87 HD13 0.00 -0.00 0.04 -0.04 0.93 0.92 3ghgK1 LEU 87 HD23 0.00 -0.02 0.08 -0.04 0.89 0.90 3ghgK1 GLN 88 H 0.00 0.21 -0.71 -0.55 8.47 7.43 3ghgK1 GLN 88 HA 0.00 0.02 0.58 -0.75 4.36 4.21 3ghgK1 GLN 88 HB2 0.00 0.15 0.20 -0.04 2.15 2.46 3ghgK1 GLN 88 HB3 0.00 0.15 0.11 -0.04 2.02 2.23 3ghgK1 GLN 88 HG2 0.00 -0.02 -0.00 -0.04 2.40 2.34 3ghgK1 GLN 88 HG3 0.00 -0.04 0.04 -0.04 2.39 2.35 3ghgK1 GLN 88 HE21 0.00 -0.03 -0.00 -0.04 6.97 6.90 3ghgK1 GLN 88 HE22 0.00 -0.02 0.03 -0.04 7.69 7.66 3ghgK1 GLN 89 H 0.00 0.43 -0.07 -0.55 8.47 8.29 3ghgK1 GLN 89 HA 0.00 0.06 0.62 -0.75 4.36 4.29 3ghgK1 GLN 89 HB2 0.00 0.08 0.16 -0.04 2.15 2.34 3ghgK1 GLN 89 HB3 0.00 -0.04 0.18 -0.04 2.02 2.12 3ghgK1 GLN 89 HG2 0.00 -0.03 0.04 -0.04 2.40 2.37 3ghgK1 GLN 89 HG3 0.00 -0.03 -0.03 -0.04 2.39 2.28 3ghgK1 GLN 89 HE21 0.00 -0.04 0.05 -0.04 6.97 6.94 3ghgK1 GLN 89 HE22 0.00 -0.06 -0.01 -0.04 7.69 7.58 3ghgK1 GLU 90 H 0.00 0.16 -0.93 -0.55 8.60 7.28 3ghgK1 GLU 90 HA 0.00 0.09 0.52 -0.75 4.29 4.15 3ghgK1 GLU 90 HB2 0.00 0.04 0.06 -0.04 2.09 2.15 3ghgK1 GLU 90 HB3 0.00 0.20 0.18 -0.04 1.99 2.33 3ghgK1 GLU 90 HG2 0.00 -0.01 0.01 -0.04 2.34 2.29 3ghgK1 GLU 90 HG3 0.00 -0.06 -0.23 -0.04 2.34 2.01 3ghgK1 ARG 91 H 0.00 0.32 0.02 -0.55 8.46 8.25 3ghgK1 ARG 91 HA 0.00 -0.03 0.29 -0.75 4.34 3.85 3ghgK1 ARG 91 HB2 0.00 0.15 0.18 -0.04 1.90 2.19 3ghgK1 ARG 91 HB3 0.00 -0.06 0.07 -0.04 1.80 1.78 3ghgK1 ARG 91 HG2 0.00 -0.05 0.08 -0.04 1.67 1.66 3ghgK1 ARG 91 HG3 0.00 0.07 0.16 -0.04 1.67 1.86 3ghgK1 ARG 91 HD2 0.00 0.01 0.08 -0.04 3.22 3.26 3ghgK1 ARG 91 HD3 0.00 -0.04 0.05 -0.04 3.22 3.19 3ghgK1 PRO 92 HA 0.00 0.02 0.38 -0.51 4.44 4.33 3ghgK1 PRO 92 HB2 0.00 0.04 -0.00 -0.04 2.28 2.28 3ghgK1 PRO 92 HB3 0.00 0.01 0.10 -0.04 2.02 2.09 3ghgK1 PRO 92 HG2 0.00 0.09 -0.10 -0.04 2.03 1.98 3ghgK1 PRO 92 HG3 0.00 0.10 0.05 -0.04 2.03 2.14 3ghgK1 PRO 92 HD2 0.00 -0.03 -0.47 -0.04 3.68 3.14 3ghgK1 PRO 92 HD3 0.00 0.18 0.18 -0.04 3.65 3.96 3ghgK1 ILE 93 H 0.00 0.38 -0.66 -0.55 8.25 7.43 3ghgK1 ILE 93 HA 0.00 0.10 0.80 -0.75 4.18 4.33 3ghgK1 ILE 93 HB 0.00 0.17 0.15 -0.04 1.89 2.17 3ghgK1 ILE 93 HG12 0.00 -0.02 -0.20 -0.04 1.49 1.23 3ghgK1 ILE 93 HG13 0.00 0.01 -0.12 -0.04 1.21 1.06 3ghgK1 ILE 93 HG23 0.00 -0.02 0.12 -0.04 0.93 0.99 3ghgK1 ILE 93 HD13 0.00 -0.00 0.04 -0.04 0.88 0.87 3ghgK1 ARG 94 H 0.00 0.34 -0.07 -0.55 8.46 8.17 3ghgK1 ARG 94 HA 0.00 0.15 0.84 -0.75 4.34 4.58 3ghgK1 ARG 94 HB2 0.00 0.17 -0.05 -0.04 1.90 1.98 3ghgK1 ARG 94 HB3 0.00 -0.04 0.09 -0.04 1.80 1.80 3ghgK1 ARG 94 HG2 0.00 -0.08 -0.15 -0.04 1.67 1.40 3ghgK1 ARG 94 HG3 0.00 0.01 0.06 -0.04 1.67 1.69 3ghgK1 ARG 94 HD2 0.00 -0.02 -0.03 -0.04 3.22 3.13 3ghgK1 ARG 94 HD3 0.00 0.03 -0.06 -0.04 3.22 3.15 3ghgK1 ASN 95 H 0.00 0.72 0.34 -0.55 8.53 9.05 3ghgK1 ASN 95 HA 0.00 0.03 0.60 -0.75 4.76 4.65 3ghgK1 ASN 95 HB2 0.00 -0.00 0.15 -0.04 2.88 2.98 3ghgK1 ASN 95 HB3 0.00 0.12 0.15 -0.04 2.79 3.02 3ghgK1 ASN 95 HD21 0.00 0.01 -0.02 -0.04 7.03 6.98 3ghgK1 ASN 95 HD22 0.00 -0.00 0.03 -0.04 7.74 7.72 3ghgK1 SER 96 H 0.00 0.16 -0.30 -0.55 8.46 7.77 3ghgK1 SER 96 HA 0.00 0.08 0.40 -0.75 4.49 4.21 3ghgK1 SER 96 HB2 0.00 0.21 0.05 -0.04 3.95 4.17 3ghgK1 SER 96 HB3 0.00 0.02 -0.11 -0.04 3.93 3.80 3ghgK1 VAL 97 H 0.00 0.18 -0.63 -0.55 8.24 7.24 3ghgK1 VAL 97 HA 0.00 0.11 0.45 -0.75 4.13 3.94 3ghgK1 VAL 97 HB 0.00 0.09 0.18 -0.04 2.12 2.35 3ghgK1 VAL 97 HG13 0.00 -0.02 -0.09 -0.04 0.97 0.83 3ghgK1 VAL 97 HG23 0.00 -0.02 -0.06 -0.04 0.95 0.83 3ghgK1 ASP 98 H 0.00 0.51 0.09 -0.55 8.40 8.45 3ghgK1 ASP 98 HA 0.00 0.01 0.33 -0.75 4.63 4.22 3ghgK1 ASP 98 HB2 0.00 0.09 0.16 -0.04 2.71 2.92 3ghgK1 ASP 98 HB3 0.00 0.00 -0.03 -0.04 2.70 2.64 3ghgK1 GLU 99 H 0.00 0.35 -0.38 -0.55 8.60 8.03 3ghgK1 GLU 99 HA 0.00 0.03 0.51 -0.75 4.29 4.08 3ghgK1 GLU 99 HB2 0.00 0.11 0.10 -0.04 2.09 2.26 3ghgK1 GLU 99 HB3 0.00 0.09 0.00 -0.04 1.99 2.05 3ghgK1 GLU 99 HG2 0.00 -0.01 -0.09 -0.04 2.34 2.20 3ghgK1 GLU 99 HG3 0.00 -0.05 0.06 -0.04 2.34 2.32 3ghgK1 LEU 100 H 0.00 0.40 -0.25 -0.55 8.37 7.97 3ghgK1 LEU 100 HA 0.00 0.04 0.51 -0.75 4.35 4.15 3ghgK1 LEU 100 HB2 0.00 0.20 0.24 -0.04 1.64 2.03 3ghgK1 LEU 100 HB3 0.00 -0.06 0.01 -0.04 1.64 1.54 3ghgK1 LEU 100 HG 0.00 0.22 0.12 -0.04 1.64 1.94 3ghgK1 LEU 100 HD13 0.00 -0.01 0.02 -0.04 0.93 0.89 3ghgK1 LEU 100 HD23 0.00 -0.02 -0.00 -0.04 0.89 0.82 3ghgK1 ASN 101 H 0.00 0.50 -0.04 -0.55 8.53 8.45 3ghgK1 ASN 101 HA 0.00 0.05 0.54 -0.75 4.76 4.59 3ghgK1 ASN 101 HB2 0.00 0.11 0.15 -0.04 2.88 3.10 3ghgK1 ASN 101 HB3 0.00 -0.02 -0.03 -0.04 2.79 2.70 3ghgK1 ASN 101 HD21 0.00 0.01 -0.02 -0.04 7.03 6.98 3ghgK1 ASN 101 HD22 0.00 -0.00 -0.01 -0.04 7.74 7.69 3ghgK1 ASN 102 H 0.00 0.56 -0.17 -0.55 8.53 8.38 3ghgK1 ASN 102 HA 0.00 -0.03 0.51 -0.75 4.76 4.49 3ghgK1 ASN 102 HB2 0.00 0.21 0.13 -0.04 2.88 3.18 3ghgK1 ASN 102 HB3 0.00 -0.06 0.09 -0.04 2.79 2.78 3ghgK1 ASN 102 HD21 0.00 -0.08 -0.10 -0.04 7.03 6.81 3ghgK1 ASN 102 HD22 0.00 -0.04 0.03 -0.04 7.74 7.69 3ghgK1 ASN 103 H 0.00 0.32 -0.43 -0.55 8.53 7.88 3ghgK1 ASN 103 HA 0.00 0.05 0.60 -0.75 4.76 4.65 3ghgK1 ASN 103 HB2 0.00 0.07 0.14 -0.04 2.88 3.06 3ghgK1 ASN 103 HB3 0.00 -0.03 0.06 -0.04 2.79 2.78 3ghgK1 ASN 103 HD21 0.00 -0.05 -0.05 -0.04 7.03 6.89 3ghgK1 ASN 103 HD22 0.00 -0.03 -0.05 -0.04 7.74 7.62 3ghgK1 VAL 104 H 0.01 0.45 -0.01 -0.55 8.24 8.13 3ghgK1 VAL 104 HA 0.02 0.18 0.89 -0.75 4.13 4.46 3ghgK1 VAL 104 HB 0.01 0.01 0.07 -0.04 2.12 2.17 3ghgK1 VAL 104 HG13 0.01 -0.01 0.06 -0.04 0.97 0.99 3ghgK1 VAL 104 HG23 0.01 0.08 0.00 -0.04 0.95 1.00 3ghgK1 GLU 105 H 0.01 0.31 -0.01 -0.55 8.60 8.36 3ghgK1 GLU 105 HA 0.02 0.20 0.84 -0.75 4.29 4.59 3ghgK1 GLU 105 HB2 0.01 0.14 0.10 -0.04 2.09 2.30 3ghgK1 GLU 105 HB3 0.01 -0.02 -0.04 -0.04 1.99 1.90 3ghgK1 GLU 105 HG2 0.01 -0.01 -0.02 -0.04 2.34 2.27 3ghgK1 GLU 105 HG3 0.01 0.06 -0.02 -0.04 2.34 2.35 3ghgK1 ALA 106 H 0.01 0.23 0.14 -0.55 8.40 8.23 3ghgK1 ALA 106 HA 0.01 0.10 0.60 -0.75 4.34 4.29 3ghgK1 ALA 106 HB3 0.00 0.12 0.23 -0.04 1.41 1.72 3ghgK1 VAL 107 H 0.00 0.30 0.04 -0.55 8.24 8.04 3ghgK1 VAL 107 HA -0.00 0.18 0.92 -0.75 4.13 4.47 3ghgK1 VAL 107 HB -0.00 0.08 0.07 -0.04 2.12 2.22 3ghgK1 VAL 107 HG13 -0.01 -0.01 0.12 -0.04 0.97 1.03 3ghgK1 VAL 107 HG23 -0.00 0.05 -0.07 -0.04 0.95 0.88 3ghgK1 SER 108 H 0.01 0.04 -0.47 -0.55 8.46 7.49 3ghgK1 SER 108 HA 0.01 0.11 0.82 -0.75 4.49 4.68 3ghgK1 SER 108 HB2 0.02 0.11 0.08 -0.04 3.95 4.11 3ghgK1 SER 108 HB3 0.02 0.01 -0.10 -0.04 3.93 3.82 3ghgK1 GLN 109 H 0.01 0.17 -0.34 -0.55 8.47 7.76 3ghgK1 GLN 109 HA 0.05 0.16 0.78 -0.75 4.36 4.60 3ghgK1 GLN 109 HB2 0.02 0.21 0.16 -0.04 2.15 2.50 3ghgK1 GLN 109 HB3 0.01 0.05 0.04 -0.04 2.02 2.09 3ghgK1 GLN 109 HG2 0.03 -0.11 -0.24 -0.04 2.40 2.04 3ghgK1 GLN 109 HG3 0.03 0.00 0.03 -0.04 2.39 2.41 3ghgK1 GLN 109 HE21 0.02 0.00 -0.01 -0.04 6.97 6.94 3ghgK1 GLN 109 HE22 0.02 -0.02 -0.02 -0.04 7.69 7.63 3ghgK1 THR 110 H -0.00 0.18 -0.17 -0.55 8.28 7.74 3ghgK1 THR 110 HA -0.03 0.07 0.38 -0.75 4.39 4.06 3ghgK1 THR 110 HB -0.06 0.02 0.00 -0.04 4.32 4.24 3ghgK1 THR 110 HG23 -0.02 0.02 0.04 -0.04 1.22 1.22 3ghgK1 SER 111 H -0.03 0.11 -0.45 -0.55 8.46 7.54 3ghgK1 SER 111 HA -0.24 0.07 0.52 -0.75 4.49 4.09 3ghgK1 SER 111 HB2 -0.05 0.02 0.08 -0.04 3.95 3.96 3ghgK1 SER 111 HB3 0.09 0.22 0.02 -0.04 3.93 4.21 3ghgK1 SER 112 H 0.11 0.15 -0.38 -0.55 8.46 7.79 3ghgK1 SER 112 HA 0.51 0.00 0.37 -0.75 4.49 4.61 3ghgK1 SER 112 HB2 0.08 0.07 0.18 -0.04 3.95 4.24 3ghgK1 SER 112 HB3 0.09 -0.05 0.12 -0.04 3.93 4.05 3ghgK1 SER 113 H 0.03 0.51 -0.20 -0.55 8.46 8.26 3ghgK1 SER 113 HA 0.08 0.07 0.58 -0.75 4.49 4.47 3ghgK1 SER 113 HB2 0.03 0.00 0.01 -0.04 3.95 3.95 3ghgK1 SER 113 HB3 -0.01 0.04 0.05 -0.04 3.93 3.96 3ghgK1 SER 114 H -0.11 0.50 -0.14 -0.55 8.46 8.16 3ghgK1 SER 114 HA -0.61 0.04 0.68 -0.75 4.49 3.85 3ghgK1 SER 114 HB2 -0.30 0.10 0.17 -0.04 3.95 3.88 3ghgK1 SER 114 HB3 -0.36 -0.08 0.08 -0.04 3.93 3.53 3ghgK1 PHE 115 H 0.05 0.51 -0.17 -0.55 8.34 8.17 3ghgK1 PHE 115 HA 0.00 0.01 0.38 -0.75 4.62 4.27 3ghgK1 PHE 115 HB2 0.01 0.19 0.11 -0.04 3.15 3.42 3ghgK1 PHE 115 HB3 0.03 -0.06 -0.02 -0.04 3.06 2.97 3ghgK1 PHE 115 HD2 0.00 -0.04 -0.14 -0.04 7.28 7.06 3ghgK1 PHE 115 HE2 -0.00 -0.02 -0.07 -0.04 7.38 7.25 3ghgK1 PHE 115 HZ -0.01 -0.01 -0.02 -0.04 7.32 7.25 3ghgK1 GLN 116 H 0.20 0.27 -0.57 -0.55 8.47 7.82 3ghgK1 GLN 116 HA 0.25 0.12 0.60 -0.75 4.36 4.58 3ghgK1 GLN 116 HB2 0.16 -0.09 0.13 -0.04 2.15 2.30 3ghgK1 GLN 116 HB3 0.12 0.04 0.04 -0.04 2.02 2.18 3ghgK1 GLN 116 HG2 0.12 -0.01 0.04 -0.04 2.40 2.51 3ghgK1 GLN 116 HG3 0.17 0.12 0.01 -0.04 2.39 2.66 3ghgK1 GLN 116 HE21 0.28 -0.11 0.02 -0.04 6.97 7.12 3ghgK1 GLN 116 HE22 0.18 0.01 0.13 -0.04 7.69 7.96 3ghgK1 TYR 117 H 0.30 0.56 -0.22 -0.55 8.29 8.38 3ghgK1 TYR 117 HA 0.06 -0.00 0.37 -0.75 4.56 4.23 3ghgK1 TYR 117 HB2 0.01 0.25 0.14 -0.04 3.06 3.42 3ghgK1 TYR 117 HB3 0.00 -0.06 0.11 -0.04 2.98 2.99 3ghgK1 TYR 117 HD2 0.02 -0.04 0.02 -0.04 7.15 7.11 3ghgK1 TYR 117 HE2 0.01 0.03 0.00 -0.04 6.85 6.85 3ghgK1 MET 118 H 0.20 0.24 -0.55 -0.55 8.47 7.81 3ghgK1 MET 118 HA -0.02 0.06 0.62 -0.75 4.52 4.43 3ghgK1 MET 118 HB2 0.04 0.02 0.12 -0.04 2.15 2.28 3ghgK1 MET 118 HB3 -0.25 -0.01 0.05 -0.04 2.03 1.78 3ghgK1 MET 118 HG2 0.13 0.13 0.07 -0.04 2.63 2.92 3ghgK1 MET 118 HG3 0.08 0.04 0.06 -0.04 2.56 2.70 3ghgK1 MET 118 HE3 0.03 -0.01 -0.12 -0.04 2.10 1.97 3ghgK1 TYR 119 H 0.36 0.46 0.06 -0.55 8.29 8.62 3ghgK1 TYR 119 HA 0.05 -0.03 0.42 -0.75 4.56 4.24 3ghgK1 TYR 119 HB2 0.05 0.12 0.12 -0.04 3.06 3.30 3ghgK1 TYR 119 HB3 0.03 0.02 0.09 -0.04 2.98 3.08 3ghgK1 TYR 119 HD2 0.05 0.02 0.07 -0.04 7.15 7.25 3ghgK1 TYR 119 HE2 0.04 0.03 0.01 -0.04 6.85 6.89 3ghgK1 LEU 120 H 0.12 0.18 -0.22 -0.55 8.37 7.91 3ghgK1 LEU 120 HA 0.03 0.13 0.58 -0.75 4.35 4.34 3ghgK1 LEU 120 HB2 -0.00 0.04 0.01 -0.04 1.64 1.64 3ghgK1 LEU 120 HB3 -0.15 -0.06 0.09 -0.04 1.64 1.48 3ghgK1 LEU 120 HG -0.22 0.01 -0.20 -0.04 1.64 1.19 3ghgK1 LEU 120 HD13 -0.05 0.00 0.03 -0.04 0.93 0.87 3ghgK1 LEU 120 HD23 -0.48 0.00 -0.03 -0.04 0.89 0.34 3ghgK1 LEU 121 H -0.02 0.39 -0.06 -0.55 8.37 8.13 3ghgK1 LEU 121 HA 0.01 0.18 0.83 -0.75 4.35 4.60 3ghgK1 LEU 121 HB2 -0.02 0.11 0.23 -0.04 1.64 1.91 3ghgK1 LEU 121 HB3 -0.01 -0.03 0.06 -0.04 1.64 1.62 3ghgK1 LEU 121 HG -0.23 -0.02 0.05 -0.04 1.64 1.41 3ghgK1 LEU 121 HD13 -0.01 0.00 0.02 -0.04 0.93 0.90 3ghgK1 LEU 121 HD23 -0.12 0.01 -0.12 -0.04 0.89 0.62 3ghgK1 LYS 122 H -0.01 0.33 0.21 -0.55 8.42 8.40 3ghgK1 LYS 122 HA 0.05 0.01 0.30 -0.75 4.32 3.92 3ghgK1 LYS 122 HB2 -0.09 -0.04 0.25 -0.04 1.87 1.95 3ghgK1 LYS 122 HB3 -0.10 0.29 0.31 -0.04 1.79 2.25 3ghgK1 LYS 122 HG2 0.07 -0.09 -0.11 -0.04 1.46 1.29 3ghgK1 LYS 122 HG3 -0.12 0.00 0.04 -0.04 1.46 1.34 3ghgK1 LYS 122 HD2 -0.11 -0.01 -0.10 -0.04 1.69 1.43 3ghgK1 LYS 122 HD3 -0.05 0.00 -0.04 -0.04 1.68 1.56 3ghgK1 LYS 122 HE2 -0.11 0.01 0.03 -0.04 2.99 2.87 3ghgK1 LYS 122 HE3 -0.18 -0.03 0.06 -0.04 2.99 2.79 3ghgK1 ASP 123 H -0.01 0.38 0.07 -0.55 8.40 8.29 3ghgK1 ASP 123 HA 0.06 0.02 0.41 -0.75 4.63 4.37 3ghgK1 ASP 123 HB2 0.05 0.12 0.16 -0.04 2.71 3.00 3ghgK1 ASP 123 HB3 0.07 0.04 -0.02 -0.04 2.70 2.74 3ghgK1 LEU 124 H 0.07 0.23 -0.38 -0.55 8.37 7.74 3ghgK1 LEU 124 HA 0.04 0.03 0.55 -0.75 4.35 4.21 3ghgK1 LEU 124 HB2 0.04 0.02 0.08 -0.04 1.64 1.74 3ghgK1 LEU 124 HB3 0.07 0.19 0.01 -0.04 1.64 1.87 3ghgK1 LEU 124 HG 0.05 -0.02 -0.18 -0.04 1.64 1.45 3ghgK1 LEU 124 HD13 0.01 -0.03 0.08 -0.04 0.93 0.95 3ghgK1 LEU 124 HD23 0.02 0.01 0.05 -0.04 0.89 0.92 3ghgK1 TRP 125 H 0.26 0.43 -0.25 -0.55 7.97 7.86 3ghgK1 TRP 125 HA -0.01 0.00 0.58 -0.75 4.62 4.43 3ghgK1 TRP 125 HB2 -0.02 0.07 0.08 -0.04 3.23 3.32 3ghgK1 TRP 125 HB3 -0.03 0.17 0.29 -0.04 3.23 3.62 3ghgK1 TRP 125 HD1 -0.01 0.02 0.02 -0.04 7.22 7.20 3ghgK1 TRP 125 HE1 -0.01 0.01 -0.02 -0.04 10.20 10.14 3ghgK1 TRP 125 HE3 -0.02 0.09 -0.11 -0.04 7.59 7.50 3ghgK1 TRP 125 HZ2 -0.01 0.01 -0.03 -0.04 7.44 7.38 3ghgK1 TRP 125 HZ3 -0.02 0.01 -0.03 -0.04 7.13 7.05 3ghgK1 TRP 125 HH2 -0.01 0.02 -0.02 -0.04 7.19 7.14 3ghgK1 GLN 126 H 0.34 0.88 0.16 -0.55 8.47 9.30 3ghgK1 GLN 126 HA -0.14 -0.03 0.44 -0.75 4.36 3.88 3ghgK1 GLN 126 HB2 0.25 -0.00 0.11 -0.04 2.15 2.46 3ghgK1 GLN 126 HB3 0.09 0.19 0.15 -0.04 2.02 2.40 3ghgK1 GLN 126 HG2 0.00 -0.03 -0.05 -0.04 2.40 2.28 3ghgK1 GLN 126 HG3 0.09 -0.03 0.05 -0.04 2.39 2.47 3ghgK1 GLN 126 HE21 0.03 -0.00 -0.02 -0.04 6.97 6.94 3ghgK1 GLN 126 HE22 0.02 -0.02 -0.03 -0.04 7.69 7.61 3ghgK1 LYS 127 H -0.03 0.34 -0.56 -0.55 8.42 7.62 3ghgK1 LYS 127 HA -0.08 0.03 0.65 -0.75 4.32 4.17 3ghgK1 LYS 127 HB2 -0.03 0.24 0.15 -0.04 1.87 2.18 3ghgK1 LYS 127 HB3 -0.04 -0.06 0.06 -0.04 1.79 1.70 3ghgK1 LYS 127 HG2 -0.01 -0.06 0.04 -0.04 1.46 1.38 3ghgK1 LYS 127 HG3 0.00 0.16 0.07 -0.04 1.46 1.65 3ghgK1 LYS 127 HD2 0.01 -0.00 0.07 -0.04 1.69 1.72 3ghgK1 LYS 127 HD3 0.00 -0.04 0.02 -0.04 1.68 1.62 3ghgK1 LYS 127 HE2 0.02 -0.03 -0.03 -0.04 2.99 2.90 3ghgK1 LYS 127 HE3 0.03 0.06 -0.13 -0.04 2.99 2.92 3ghgK1 ARG 128 H -0.21 0.43 -0.00 -0.55 8.46 8.12 3ghgK1 ARG 128 HA -0.17 0.01 0.67 -0.75 4.34 4.11 3ghgK1 ARG 128 HB2 -0.15 -0.02 0.16 -0.04 1.90 1.85 3ghgK1 ARG 128 HB3 -0.37 0.14 0.31 -0.04 1.80 1.84 3ghgK1 ARG 128 HG2 -0.35 -0.00 -0.02 -0.04 1.67 1.25 3ghgK1 ARG 128 HG3 -0.39 -0.02 -0.48 -0.04 1.67 0.74 3ghgK1 ARG 128 HD2 -0.07 0.02 0.02 -0.04 3.22 3.14 3ghgK1 ARG 128 HD3 -0.10 -0.02 -0.03 -0.04 3.22 3.03 3ghgK1 GLN 129 H -0.74 0.73 0.01 -0.55 8.47 7.93 3ghgK1 GLN 129 HA -0.49 -0.00 0.41 -0.75 4.36 3.52 3ghgK1 GLN 129 HB2 -1.71 -0.01 0.06 -0.04 2.15 0.46 3ghgK1 GLN 129 HB3 -0.56 0.15 0.17 -0.04 2.02 1.74 3ghgK1 GLN 129 HG2 -0.20 -0.01 -0.21 -0.04 2.40 1.93 3ghgK1 GLN 129 HG3 -0.28 -0.03 0.02 -0.04 2.39 2.05 3ghgK1 GLN 129 HE21 0.12 -0.01 -0.01 -0.04 6.97 7.03 3ghgK1 GLN 129 HE22 0.04 -0.01 -0.02 -0.04 7.69 7.65 3ghgK1 LYS 130 H -0.21 0.38 -0.34 -0.55 8.42 7.69 3ghgK1 LYS 130 HA -0.09 0.04 0.53 -0.75 4.32 4.04 3ghgK1 LYS 130 HB2 -0.08 0.09 0.16 -0.04 1.87 2.00 3ghgK1 LYS 130 HB3 -0.09 0.10 0.19 -0.04 1.79 1.96 3ghgK1 LYS 130 HG2 -0.05 -0.03 -0.20 -0.04 1.46 1.15 3ghgK1 LYS 130 HG3 -0.04 -0.03 0.02 -0.04 1.46 1.37 3ghgK1 LYS 130 HD2 -0.03 0.00 0.01 -0.04 1.69 1.63 3ghgK1 LYS 130 HD3 -0.04 0.02 0.02 -0.04 1.68 1.64 3ghgK1 LYS 130 HE2 -0.02 -0.01 -0.03 -0.04 2.99 2.88 3ghgK1 LYS 130 HE3 -0.02 -0.01 -0.01 -0.04 2.99 2.90 3ghgK1 GLN 131 H -0.12 0.50 -0.08 -0.55 8.47 8.23 3ghgK1 GLN 131 HA -0.06 0.02 0.41 -0.75 4.36 3.98 3ghgK1 GLN 131 HB2 -0.07 0.09 0.19 -0.04 2.15 2.33 3ghgK1 GLN 131 HB3 -0.09 0.08 0.19 -0.04 2.02 2.16 3ghgK1 GLN 131 HG2 -0.04 -0.05 0.08 -0.04 2.40 2.35 3ghgK1 GLN 131 HG3 -0.04 0.01 0.03 -0.04 2.39 2.35 3ghgK1 GLN 131 HE21 -0.02 -0.01 -0.04 -0.04 6.97 6.86 3ghgK1 GLN 131 HE22 -0.02 -0.00 -0.01 -0.04 7.69 7.61 3ghgK1 VAL 132 H -0.12 0.57 -0.13 -0.55 8.24 8.01 3ghgK1 VAL 132 HA -0.05 0.02 0.60 -0.75 4.13 3.94 3ghgK1 VAL 132 HB -0.06 -0.04 0.03 -0.04 2.12 2.01 3ghgK1 VAL 132 HG13 -0.08 0.02 0.04 -0.04 0.97 0.90 3ghgK1 VAL 132 HG23 -0.15 0.09 0.05 -0.04 0.95 0.90 3ghgK1 LYS 133 H -0.09 0.39 -0.34 -0.55 8.42 7.83 3ghgK1 LYS 133 HA -0.04 0.00 0.54 -0.75 4.32 4.07 3ghgK1 LYS 133 HB2 -0.06 0.14 0.20 -0.04 1.87 2.10 3ghgK1 LYS 133 HB3 -0.05 0.16 0.18 -0.04 1.79 2.03 3ghgK1 LYS 133 HG2 -0.03 -0.03 0.01 -0.04 1.46 1.37 3ghgK1 LYS 133 HG3 -0.02 -0.05 0.13 -0.04 1.46 1.47 3ghgK1 LYS 133 HD2 -0.03 0.01 0.02 -0.04 1.69 1.65 3ghgK1 LYS 133 HD3 -0.03 0.01 0.01 -0.04 1.68 1.63 3ghgK1 LYS 133 HE2 -0.01 -0.01 0.01 -0.04 2.99 2.94 3ghgK1 LYS 133 HE3 -0.01 -0.02 0.03 -0.04 2.99 2.95 3ghgK1 ASP 134 H -0.04 0.35 -0.34 -0.55 8.40 7.82 3ghgK1 ASP 134 HA -0.02 0.13 0.92 -0.75 4.63 4.91 3ghgK1 ASP 134 HB2 -0.03 0.12 0.14 -0.04 2.71 2.90 3ghgK1 ASP 134 HB3 -0.02 -0.04 0.03 -0.04 2.70 2.63 3ghgK1 ASN 135 H -0.03 0.47 0.05 -0.55 8.53 8.48 3ghgK1 ASN 135 HA 0.00 0.03 0.63 -0.75 4.76 4.67 3ghgK1 ASN 135 HB2 -0.02 0.08 0.28 -0.04 2.88 3.17 3ghgK1 ASN 135 HB3 -0.01 -0.01 0.03 -0.04 2.79 2.76 3ghgK1 ASN 135 HD21 0.01 -0.00 0.02 -0.04 7.03 7.02 3ghgK1 ASN 135 HD22 -0.00 -0.01 0.03 -0.04 7.74 7.72 3ghgK1 GLU 136 H -0.02 0.31 -0.48 -0.55 8.60 7.86 3ghgK1 GLU 136 HA 0.00 0.06 0.62 -0.75 4.29 4.22 3ghgK1 GLU 136 HB2 -0.00 -0.06 0.08 -0.04 2.09 2.07 3ghgK1 GLU 136 HB3 -0.01 0.10 0.14 -0.04 1.99 2.18 3ghgK1 GLU 136 HG2 -0.01 0.40 0.03 -0.04 2.34 2.72 3ghgK1 GLU 136 HG3 -0.01 -0.09 -0.16 -0.04 2.34 2.05 3ghgK1 ASN 137 H -0.01 0.34 -0.25 -0.55 8.53 8.07 3ghgK1 ASN 137 HA -0.00 0.05 0.75 -0.75 4.76 4.80 3ghgK1 ASN 137 HB2 -0.01 -0.04 0.17 -0.04 2.88 2.96 3ghgK1 ASN 137 HB3 -0.01 0.02 0.09 -0.04 2.79 2.85 3ghgK1 ASN 137 HD21 -0.02 -0.04 0.12 -0.04 7.03 7.05 3ghgK1 ASN 137 HD22 -0.01 0.06 0.16 -0.04 7.74 7.91 3ghgK1 VAL 138 H 0.01 0.16 -0.56 -0.55 8.24 7.30 3ghgK1 VAL 138 HA -0.02 0.12 0.79 -0.75 4.13 4.27 3ghgK1 VAL 138 HB 0.04 0.13 0.13 -0.04 2.12 2.38 3ghgK1 VAL 138 HG13 0.09 -0.02 0.05 -0.04 0.97 1.06 3ghgK1 VAL 138 HG23 -0.00 0.10 0.01 -0.04 0.95 1.02 3ghgK1 VAL 139 H 0.03 0.30 -0.27 -0.55 8.24 7.75 3ghgK1 VAL 139 HA 0.11 0.08 0.51 -0.75 4.13 4.08 3ghgK1 VAL 139 HB 0.02 0.11 0.28 -0.04 2.12 2.49 3ghgK1 VAL 139 HG13 0.02 -0.02 -0.07 -0.04 0.97 0.86 3ghgK1 VAL 139 HG23 0.02 0.11 0.17 -0.04 0.95 1.20 3ghgK1 ASN 140 H 0.02 0.35 0.08 -0.55 8.53 8.44 3ghgK1 ASN 140 HA 0.02 0.02 0.41 -0.75 4.76 4.46 3ghgK1 ASN 140 HB2 0.01 0.01 -0.05 -0.04 2.88 2.81 3ghgK1 ASN 140 HB3 0.01 0.04 0.12 -0.04 2.79 2.93 3ghgK1 ASN 140 HD21 -0.00 -0.05 0.10 -0.04 7.03 7.04 3ghgK1 ASN 140 HD22 0.00 -0.00 0.03 -0.04 7.74 7.73 3ghgK1 GLU 141 H 0.00 0.17 -0.65 -0.55 8.60 7.58 3ghgK1 GLU 141 HA -0.02 0.03 0.36 -0.75 4.29 3.90 3ghgK1 GLU 141 HB2 -0.13 0.07 0.04 -0.04 2.09 2.03 3ghgK1 GLU 141 HB3 -0.11 -0.01 0.01 -0.04 1.99 1.84 3ghgK1 GLU 141 HG2 -0.04 0.45 0.12 -0.04 2.34 2.82 3ghgK1 GLU 141 HG3 -0.06 -0.01 0.05 -0.04 2.34 2.28 3ghgK1 TYR 142 H 0.03 0.37 -0.09 -0.55 8.29 8.06 3ghgK1 TYR 142 HA -0.03 0.02 0.49 -0.75 4.56 4.29 3ghgK1 TYR 142 HB2 -0.02 0.18 0.22 -0.04 3.06 3.39 3ghgK1 TYR 142 HB3 -0.03 -0.03 -0.04 -0.04 2.98 2.83 3ghgK1 TYR 142 HD2 -0.03 0.10 0.10 -0.04 7.15 7.28 3ghgK1 TYR 142 HE2 -0.02 -0.01 0.02 -0.04 6.85 6.80 3ghgK1 SER 143 H 0.11 0.47 -0.19 -0.55 8.46 8.31 3ghgK1 SER 143 HA 0.04 0.02 0.33 -0.75 4.49 4.12 3ghgK1 SER 143 HB2 0.03 0.03 0.13 -0.04 3.95 4.10 3ghgK1 SER 143 HB3 0.02 -0.02 -0.00 -0.04 3.93 3.88 3ghgK1 SER 144 H 0.02 0.88 0.08 -0.55 8.46 8.91 3ghgK1 SER 144 HA 0.02 -0.02 0.39 -0.75 4.49 4.12 3ghgK1 SER 144 HB2 0.01 -0.01 0.13 -0.04 3.95 4.04 3ghgK1 SER 144 HB3 0.01 -0.05 0.07 -0.04 3.93 3.91 3ghgK1 GLU 145 H 0.01 0.64 -0.09 -0.55 8.60 8.61 3ghgK1 GLU 145 HA 0.03 -0.04 0.30 -0.75 4.29 3.83 3ghgK1 GLU 145 HB2 -0.02 0.48 0.25 -0.04 2.09 2.75 3ghgK1 GLU 145 HB3 -0.00 -0.01 0.04 -0.04 1.99 1.98 3ghgK1 GLU 145 HG2 -0.02 -0.01 0.05 -0.04 2.34 2.31 3ghgK1 GLU 145 HG3 -0.02 -0.02 0.01 -0.04 2.34 2.27 3ghgK1 LEU 146 H 0.01 0.71 -0.13 -0.55 8.37 8.41 3ghgK1 LEU 146 HA -0.18 -0.04 0.47 -0.75 4.35 3.85 3ghgK1 LEU 146 HB2 -0.07 0.02 0.15 -0.04 1.64 1.70 3ghgK1 LEU 146 HB3 -0.03 0.12 0.17 -0.04 1.64 1.86 3ghgK1 LEU 146 HG -0.10 -0.04 -0.15 -0.04 1.64 1.31 3ghgK1 LEU 146 HD13 -0.57 -0.03 0.05 -0.04 0.93 0.35 3ghgK1 LEU 146 HD23 -0.07 -0.01 -0.02 -0.04 0.89 0.75 3ghgK1 GLU 147 H 0.02 0.80 0.00 -0.55 8.60 8.87 3ghgK1 GLU 147 HA 0.04 -0.02 0.49 -0.75 4.29 4.05 3ghgK1 GLU 147 HB2 0.03 0.16 0.18 -0.04 2.09 2.41 3ghgK1 GLU 147 HB3 0.03 -0.07 0.03 -0.04 1.99 1.93 3ghgK1 GLU 147 HG2 0.02 0.10 0.08 -0.04 2.34 2.50 3ghgK1 GLU 147 HG3 0.02 -0.06 -0.06 -0.04 2.34 2.19 3ghgK1 LYS 148 H 0.07 0.51 -0.15 -0.55 8.42 8.30 3ghgK1 LYS 148 HA 0.07 0.07 0.74 -0.75 4.32 4.45 3ghgK1 LYS 148 HB2 0.06 0.13 0.12 -0.04 1.87 2.15 3ghgK1 LYS 148 HB3 0.07 -0.03 0.02 -0.04 1.79 1.81 3ghgK1 LYS 148 HG2 0.03 -0.01 0.00 -0.04 1.46 1.44 3ghgK1 LYS 148 HG3 0.03 -0.02 0.01 -0.04 1.46 1.44 3ghgK1 LYS 148 HD2 0.02 -0.04 -0.05 -0.04 1.69 1.58 3ghgK1 LYS 148 HD3 0.04 -0.05 -0.03 -0.04 1.68 1.59 3ghgK1 LYS 148 HE2 0.03 0.11 -0.16 -0.04 2.99 2.93 3ghgK1 LYS 148 HE3 0.02 -0.05 -0.04 -0.04 2.99 2.88 3ghgK1 HIS 149 H 0.18 0.58 0.08 -0.55 8.41 8.70 3ghgK1 HIS 149 HA 0.10 0.04 0.63 -0.75 4.63 4.63 3ghgK1 HIS 149 HB2 0.02 -0.04 0.12 -0.04 3.26 3.33 3ghgK1 HIS 149 HB3 0.03 0.17 0.27 -0.04 3.20 3.63 3ghgK1 HIS 149 HD2 -0.01 -0.01 -0.01 -0.04 6.97 6.89 3ghgK1 HIS 149 HE1 0.01 -0.03 -0.07 -0.04 7.75 7.62 3ghgK1 GLN 150 H 0.34 0.80 -0.04 -0.55 8.47 9.02 3ghgK1 GLN 150 HA 0.28 0.03 0.52 -0.75 4.36 4.44 3ghgK1 GLN 150 HB2 0.14 -0.07 0.09 -0.04 2.15 2.26 3ghgK1 GLN 150 HB3 0.16 0.15 0.15 -0.04 2.02 2.45 3ghgK1 GLN 150 HG2 0.06 -0.04 0.06 -0.04 2.40 2.44 3ghgK1 GLN 150 HG3 0.10 0.27 0.13 -0.04 2.39 2.85 3ghgK1 GLN 150 HE21 0.04 -0.02 -0.05 -0.04 6.97 6.89 3ghgK1 GLN 150 HE22 0.04 0.01 -0.03 -0.04 7.69 7.67 3ghgK1 LEU 151 H 0.13 0.30 -0.44 -0.55 8.37 7.80 3ghgK1 LEU 151 HA 0.05 -0.05 0.40 -0.75 4.35 4.00 3ghgK1 LEU 151 HB2 0.05 0.16 0.24 -0.04 1.64 2.05 3ghgK1 LEU 151 HB3 0.07 0.27 0.21 -0.04 1.64 2.15 3ghgK1 LEU 151 HG 0.01 -0.09 0.06 -0.04 1.64 1.57 3ghgK1 LEU 151 HD13 0.01 0.00 0.03 -0.04 0.93 0.93 3ghgK1 LEU 151 HD23 -0.03 -0.00 -0.30 -0.04 0.89 0.52 3ghgK1 TYR 152 H 0.18 0.40 -0.40 -0.55 8.29 7.92 3ghgK1 TYR 152 HA -0.02 0.01 0.53 -0.75 4.56 4.32 3ghgK1 TYR 152 HB2 -0.10 0.31 0.18 -0.04 3.06 3.42 3ghgK1 TYR 152 HB3 -0.10 -0.01 -0.01 -0.04 2.98 2.81 3ghgK1 TYR 152 HD2 -0.05 0.01 0.03 -0.04 7.15 7.11 3ghgK1 TYR 152 HE2 -0.03 -0.01 0.02 -0.04 6.85 6.79 3ghgK1 ILE 153 H 0.10 0.55 -0.18 -0.55 8.25 8.17 3ghgK1 ILE 153 HA 0.06 -0.00 0.55 -0.75 4.18 4.03 3ghgK1 ILE 153 HB 0.06 0.18 0.16 -0.04 1.89 2.25 3ghgK1 ILE 153 HG12 -0.01 0.09 0.14 -0.04 1.49 1.67 3ghgK1 ILE 153 HG13 0.03 -0.02 0.07 -0.04 1.21 1.24 3ghgK1 ILE 153 HG23 0.03 -0.02 0.02 -0.04 0.93 0.92 3ghgK1 ILE 153 HD13 -0.00 -0.02 -0.03 -0.04 0.88 0.79 3ghgK1 ASP 154 H 0.05 0.32 -0.01 -0.55 8.40 8.22 3ghgK1 ASP 154 HA 0.02 0.05 0.58 -0.75 4.63 4.53 3ghgK1 ASP 154 HB2 0.03 -0.00 0.05 -0.04 2.71 2.74 3ghgK1 ASP 154 HB3 0.03 0.02 0.20 -0.04 2.70 2.91 3ghgK1 GLU 155 H -0.00 0.83 0.01 -0.55 8.60 8.89 3ghgK1 GLU 155 HA -0.02 0.03 0.48 -0.75 4.29 4.03 3ghgK1 GLU 155 HB2 -0.08 0.14 0.18 -0.04 2.09 2.28 3ghgK1 GLU 155 HB3 -0.07 -0.05 -0.00 -0.04 1.99 1.83 3ghgK1 GLU 155 HG2 -0.04 0.07 0.05 -0.04 2.34 2.38 3ghgK1 GLU 155 HG3 -0.08 -0.01 0.01 -0.04 2.34 2.21 3ghgK1 THR 156 H 0.01 0.50 -0.18 -0.55 8.28 8.06 3ghgK1 THR 156 HA 0.00 -0.02 0.44 -0.75 4.39 4.06 3ghgK1 THR 156 HB 0.04 0.04 0.29 -0.04 4.32 4.65 3ghgK1 THR 156 HG23 0.02 -0.01 -0.06 -0.04 1.22 1.12 3ghgK1 VAL 157 H 0.01 0.56 -0.04 -0.55 8.24 8.23 3ghgK1 VAL 157 HA 0.01 -0.00 0.21 -0.75 4.13 3.59 3ghgK1 VAL 157 HB 0.01 0.11 0.12 -0.04 2.12 2.32 3ghgK1 VAL 157 HG13 0.01 -0.01 0.03 -0.04 0.97 0.95 3ghgK1 VAL 157 HG23 0.02 0.00 0.09 -0.04 0.95 1.02 3ghgK1 ASN 158 H 0.00 0.24 -0.34 -0.55 8.53 7.89 3ghgK1 ASN 158 HA -0.00 0.18 0.99 -0.75 4.76 5.18 3ghgK1 ASN 158 HB2 0.00 0.15 0.06 -0.04 2.88 3.05 3ghgK1 ASN 158 HB3 -0.00 -0.02 0.08 -0.04 2.79 2.80 3ghgK1 ASN 158 HD21 0.00 -0.02 -0.01 -0.04 7.03 6.96 3ghgK1 ASN 158 HD22 0.00 -0.01 0.01 -0.04 7.74 7.70 3ghgK1 SER 159 H -0.01 0.38 0.09 -0.55 8.46 8.38 3ghgK1 SER 159 HA -0.01 0.18 0.97 -0.75 4.49 4.88 3ghgK1 SER 159 HB2 -0.01 -0.03 0.02 -0.04 3.95 3.88 3ghgK1 SER 159 HB3 -0.02 0.09 0.16 -0.04 3.93 4.12 3ghgK1 ASN 160 H -0.01 0.29 0.24 -0.55 8.53 8.50 3ghgK1 ASN 160 HA -0.01 0.17 0.91 -0.75 4.76 5.08 3ghgK1 ASN 160 HB2 -0.01 0.12 0.30 -0.04 2.88 3.25 3ghgK1 ASN 160 HB3 -0.01 -0.05 0.04 -0.04 2.79 2.72 3ghgK1 ASN 160 HD21 -0.04 -0.01 -0.14 -0.04 7.03 6.79 3ghgK1 ASN 160 HD22 -0.02 0.11 -0.23 -0.04 7.74 7.55 3ghgK1 ILE 161 H -0.00 0.59 0.25 -0.55 8.25 8.54 3ghgK1 ILE 161 HA -0.00 -0.01 0.34 -0.75 4.18 3.76 3ghgK1 ILE 161 HB 0.00 0.17 0.11 -0.04 1.89 2.13 3ghgK1 ILE 161 HG12 0.00 0.07 0.05 -0.04 1.49 1.58 3ghgK1 ILE 161 HG13 0.01 0.01 -0.02 -0.04 1.21 1.16 3ghgK1 ILE 161 HG23 0.00 -0.01 -0.09 -0.04 0.93 0.79 3ghgK1 ILE 161 HD13 0.00 -0.02 0.02 -0.04 0.88 0.85 3ghgK1 PRO 162 HA -0.00 0.10 0.64 -0.51 4.44 4.67 3ghgK1 PRO 162 HB2 -0.00 0.05 -0.11 -0.04 2.28 2.17 3ghgK1 PRO 162 HB3 -0.00 0.05 0.02 -0.04 2.02 2.04 3ghgK1 PRO 162 HG2 -0.01 0.08 -0.28 -0.04 2.03 1.79 3ghgK1 PRO 162 HG3 -0.00 0.15 -0.11 -0.04 2.03 2.03 3ghgK1 PRO 162 HD2 -0.00 -0.07 -0.57 -0.04 3.68 3.00 3ghgK1 PRO 162 HD3 -0.00 0.28 -0.13 -0.04 3.65 3.76 3ghgK1 THR 163 H -0.01 0.26 -0.37 -0.55 8.28 7.62 3ghgK1 THR 163 HA -0.01 0.07 0.66 -0.75 4.39 4.35 3ghgK1 THR 163 HB -0.01 -0.07 0.13 -0.04 4.32 4.33 3ghgK1 THR 163 HG23 -0.01 -0.01 0.01 -0.04 1.22 1.17 3ghgK1 ASN 164 H -0.01 0.32 -0.27 -0.55 8.53 8.03 3ghgK1 ASN 164 HA -0.01 0.08 0.73 -0.75 4.76 4.81 3ghgK1 ASN 164 HB2 -0.00 0.07 -0.03 -0.04 2.88 2.88 3ghgK1 ASN 164 HB3 -0.00 0.10 0.19 -0.04 2.79 3.04 3ghgK1 ASN 164 HD21 -0.00 -0.00 0.00 -0.04 7.03 6.98 3ghgK1 ASN 164 HD22 -0.00 0.03 0.04 -0.04 7.74 7.76 3ghgK1 LEU 165 H -0.00 0.92 0.17 -0.55 8.37 8.90 3ghgK1 LEU 165 HA -0.00 -0.00 0.40 -0.75 4.35 3.99 3ghgK1 LEU 165 HB2 -0.00 0.09 0.15 -0.04 1.64 1.83 3ghgK1 LEU 165 HB3 -0.00 -0.03 0.20 -0.04 1.64 1.77 3ghgK1 LEU 165 HG -0.00 0.09 0.09 -0.04 1.64 1.78 3ghgK1 LEU 165 HD13 -0.00 -0.00 0.02 -0.04 0.93 0.90 3ghgK1 LEU 165 HD23 -0.00 -0.03 -0.08 -0.04 0.89 0.74 3ghgK1 ARG 166 H -0.01 0.08 -1.07 -0.55 8.46 6.92 3ghgK1 ARG 166 HA -0.01 0.17 0.88 -0.75 4.34 4.63 3ghgK1 ARG 166 HB2 -0.01 0.21 0.10 -0.04 1.90 2.17 3ghgK1 ARG 166 HB3 -0.01 0.00 0.10 -0.04 1.80 1.85 3ghgK1 ARG 166 HG2 -0.01 -0.09 -0.10 -0.04 1.67 1.43 3ghgK1 ARG 166 HG3 -0.01 0.01 0.02 -0.04 1.67 1.65 3ghgK1 ARG 166 HD2 -0.01 -0.02 -0.11 -0.04 3.22 3.05 3ghgK1 ARG 166 HD3 -0.01 -0.02 -0.04 -0.04 3.22 3.11 3ghgK1 VAL 167 H -0.01 0.34 0.03 -0.55 8.24 8.05 3ghgK1 VAL 167 HA -0.01 0.05 0.53 -0.75 4.13 3.95 3ghgK1 VAL 167 HB -0.01 0.05 0.17 -0.04 2.12 2.30 3ghgK1 VAL 167 HG13 -0.01 0.05 0.15 -0.04 0.97 1.13 3ghgK1 VAL 167 HG23 -0.01 -0.01 0.00 -0.04 0.95 0.89 3ghgK1 LEU 168 H -0.01 0.69 0.08 -0.55 8.37 8.58 3ghgK1 LEU 168 HA -0.01 0.05 0.43 -0.75 4.35 4.08 3ghgK1 LEU 168 HB2 -0.00 0.11 0.08 -0.04 1.64 1.78 3ghgK1 LEU 168 HB3 -0.00 -0.01 -0.09 -0.04 1.64 1.50 3ghgK1 LEU 168 HG -0.00 -0.03 0.10 -0.04 1.64 1.67 3ghgK1 LEU 168 HD13 -0.00 -0.00 0.01 -0.04 0.93 0.90 3ghgK1 LEU 168 HD23 -0.00 -0.00 -0.04 -0.04 0.89 0.81 3ghgK1 ARG 169 H -0.01 0.10 -0.76 -0.55 8.46 7.25 3ghgK1 ARG 169 HA -0.01 0.09 0.71 -0.75 4.34 4.38 3ghgK1 ARG 169 HB2 -0.01 0.18 0.03 -0.04 1.90 2.06 3ghgK1 ARG 169 HB3 -0.01 0.09 0.10 -0.04 1.80 1.94 3ghgK1 ARG 169 HG2 -0.01 -0.04 -0.11 -0.04 1.67 1.48 3ghgK1 ARG 169 HG3 -0.01 -0.05 0.02 -0.04 1.67 1.60 3ghgK1 ARG 169 HD2 -0.00 0.05 0.05 -0.04 3.22 3.28 3ghgK1 ARG 169 HD3 -0.00 -0.04 0.00 -0.04 3.22 3.13 3ghgK1 SER 170 H -0.01 0.82 0.08 -0.55 8.46 8.81 3ghgK1 SER 170 HA -0.01 -0.02 0.29 -0.75 4.49 4.00 3ghgK1 SER 170 HB2 -0.01 0.04 0.14 -0.04 3.95 4.08 3ghgK1 SER 170 HB3 -0.01 0.06 0.21 -0.04 3.93 4.15 3ghgK1 ILE 171 H -0.01 0.40 -0.52 -0.55 8.25 7.56 3ghgK1 ILE 171 HA -0.01 0.05 0.58 -0.75 4.18 4.05 3ghgK1 ILE 171 HB -0.01 0.11 0.10 -0.04 1.89 2.06 3ghgK1 ILE 171 HG12 -0.02 -0.06 -0.06 -0.04 1.49 1.32 3ghgK1 ILE 171 HG13 -0.02 -0.01 0.05 -0.04 1.21 1.19 3ghgK1 ILE 171 HG23 -0.01 0.02 0.01 -0.04 0.93 0.91 3ghgK1 ILE 171 HD13 -0.01 0.00 -0.01 -0.04 0.88 0.82 3ghgK1 LEU 172 H -0.01 0.42 -0.05 -0.55 8.37 8.19 3ghgK1 LEU 172 HA -0.01 -0.00 0.15 -0.75 4.35 3.73 3ghgK1 LEU 172 HB2 -0.01 0.13 0.21 -0.04 1.64 1.93 3ghgK1 LEU 172 HB3 -0.01 0.04 0.12 -0.04 1.64 1.75 3ghgK1 LEU 172 HG -0.01 -0.06 0.16 -0.04 1.64 1.68 3ghgK1 LEU 172 HD13 -0.01 0.00 0.05 -0.04 0.93 0.93 3ghgK1 LEU 172 HD23 -0.01 -0.01 0.03 -0.04 0.89 0.86 3ghgK1 GLU 173 H -0.01 0.40 -0.43 -0.55 8.60 8.01 3ghgK1 GLU 173 HA -0.01 0.10 0.88 -0.75 4.29 4.50 3ghgK1 GLU 173 HB2 -0.01 0.03 -0.05 -0.04 2.09 2.02 3ghgK1 GLU 173 HB3 -0.01 0.06 -0.12 -0.04 1.99 1.88 3ghgK1 GLU 173 HG2 -0.01 -0.00 -0.02 -0.04 2.34 2.27 3ghgK1 GLU 173 HG3 -0.01 -0.03 0.09 -0.04 2.34 2.35 3ghgK1 ASN 174 H -0.01 0.36 -0.14 -0.55 8.53 8.19 3ghgK1 ASN 174 HA -0.01 0.05 0.66 -0.75 4.76 4.71 3ghgK1 ASN 174 HB2 -0.01 0.01 0.20 -0.04 2.88 3.03 3ghgK1 ASN 174 HB3 -0.01 0.21 0.37 -0.04 2.79 3.32 3ghgK1 ASN 174 HD21 -0.02 -0.03 -0.01 -0.04 7.03 6.93 3ghgK1 ASN 174 HD22 -0.02 0.01 0.04 -0.04 7.74 7.74 3ghgK1 LEU 175 H -0.01 0.49 -0.06 -0.55 8.37 8.24 3ghgK1 LEU 175 HA -0.02 0.04 0.46 -0.75 4.35 4.08 3ghgK1 LEU 175 HB2 -0.01 0.11 0.08 -0.04 1.64 1.78 3ghgK1 LEU 175 HB3 -0.02 -0.03 -0.00 -0.04 1.64 1.55 3ghgK1 LEU 175 HG -0.02 0.11 -0.04 -0.04 1.64 1.66 3ghgK1 LEU 175 HD13 -0.02 -0.00 -0.00 -0.04 0.93 0.87 3ghgK1 LEU 175 HD23 -0.02 -0.02 -0.01 -0.04 0.89 0.80 3ghgK1 ARG 176 H -0.01 0.29 -0.21 -0.55 8.46 7.97 3ghgK1 ARG 176 HA -0.01 0.00 0.31 -0.75 4.34 3.89 3ghgK1 ARG 176 HB2 -0.01 0.12 0.20 -0.04 1.90 2.17 3ghgK1 ARG 176 HB3 -0.01 0.11 0.06 -0.04 1.80 1.92 3ghgK1 ARG 176 HG2 -0.01 -0.02 0.01 -0.04 1.67 1.61 3ghgK1 ARG 176 HG3 -0.01 -0.02 0.08 -0.04 1.67 1.67 3ghgK1 ARG 176 HD2 -0.01 0.01 0.04 -0.04 3.22 3.22 3ghgK1 ARG 176 HD3 -0.01 0.02 0.03 -0.04 3.22 3.22 3ghgK1 SER 177 H -0.01 0.29 -0.63 -0.55 8.46 7.56 3ghgK1 SER 177 HA -0.01 0.07 0.70 -0.75 4.49 4.49 3ghgK1 SER 177 HB2 -0.01 -0.05 0.09 -0.04 3.95 3.94 3ghgK1 SER 177 HB3 -0.01 0.04 0.09 -0.04 3.93 4.01 3ghgK1 LYS 178 H -0.02 0.46 0.03 -0.55 8.42 8.33 3ghgK1 LYS 178 HA -0.02 0.04 0.75 -0.75 4.32 4.34 3ghgK1 LYS 178 HB2 -0.02 0.08 0.32 -0.04 1.87 2.22 3ghgK1 LYS 178 HB3 -0.02 -0.06 0.04 -0.04 1.79 1.71 3ghgK1 LYS 178 HG2 -0.02 0.18 0.07 -0.04 1.46 1.65 3ghgK1 LYS 178 HG3 -0.02 -0.03 0.03 -0.04 1.46 1.39 3ghgK1 LYS 178 HD2 -0.02 -0.05 0.08 -0.04 1.69 1.65 3ghgK1 LYS 178 HD3 -0.02 0.01 0.02 -0.04 1.68 1.65 3ghgK1 LYS 178 HE2 -0.02 -0.01 0.01 -0.04 2.99 2.92 3ghgK1 LYS 178 HE3 -0.02 0.01 0.00 -0.04 2.99 2.94 3ghgK1 ILE 179 H -0.02 0.72 0.10 -0.55 8.25 8.51 3ghgK1 ILE 179 HA -0.02 -0.03 0.30 -0.75 4.18 3.68 3ghgK1 ILE 179 HB -0.01 0.04 0.02 -0.04 1.89 1.89 3ghgK1 ILE 179 HG12 -0.01 -0.04 0.08 -0.04 1.49 1.47 3ghgK1 ILE 179 HG13 -0.02 -0.01 0.03 -0.04 1.21 1.17 3ghgK1 ILE 179 HG23 -0.01 0.06 -0.18 -0.04 0.93 0.75 3ghgK1 ILE 179 HD13 -0.01 0.00 -0.01 -0.04 0.88 0.82 3ghgK1 GLN 180 H -0.01 0.25 -0.65 -0.55 8.47 7.52 3ghgK1 GLN 180 HA -0.01 0.02 0.55 -0.75 4.36 4.16 3ghgK1 GLN 180 HB2 -0.01 0.08 0.17 -0.04 2.15 2.35 3ghgK1 GLN 180 HB3 -0.01 0.19 0.18 -0.04 2.02 2.33 3ghgK1 GLN 180 HG2 -0.01 -0.04 -0.25 -0.04 2.40 2.06 3ghgK1 GLN 180 HG3 -0.01 -0.03 0.01 -0.04 2.39 2.31 3ghgK1 GLN 180 HE21 -0.01 -0.02 -0.00 -0.04 6.97 6.90 3ghgK1 GLN 180 HE22 -0.01 -0.02 -0.04 -0.04 7.69 7.57 3ghgK1 LYS 181 H -0.01 0.49 -0.04 -0.55 8.42 8.30 3ghgK1 LYS 181 HA -0.01 -0.02 0.26 -0.75 4.32 3.79 3ghgK1 LYS 181 HB2 -0.02 0.04 0.21 -0.04 1.87 2.07 3ghgK1 LYS 181 HB3 -0.02 0.07 0.28 -0.04 1.79 2.08 3ghgK1 LYS 181 HG2 -0.02 -0.03 -0.25 -0.04 1.46 1.12 3ghgK1 LYS 181 HG3 -0.02 -0.04 0.04 -0.04 1.46 1.40 3ghgK1 LYS 181 HD2 -0.02 0.03 0.05 -0.04 1.69 1.71 3ghgK1 LYS 181 HD3 -0.02 -0.02 -0.00 -0.04 1.68 1.60 3ghgK1 LYS 181 HE2 -0.02 -0.01 0.00 -0.04 2.99 2.92 3ghgK1 LYS 181 HE3 -0.01 -0.01 0.02 -0.04 2.99 2.95 3ghgK1 LEU 182 H -0.02 0.61 -0.12 -0.55 8.37 8.30 3ghgK1 LEU 182 HA -0.02 0.02 0.52 -0.75 4.35 4.11 3ghgK1 LEU 182 HB2 -0.02 0.04 0.09 -0.04 1.64 1.72 3ghgK1 LEU 182 HB3 -0.02 -0.02 0.01 -0.04 1.64 1.57 3ghgK1 LEU 182 HG -0.02 -0.01 0.02 -0.04 1.64 1.59 3ghgK1 LEU 182 HD13 -0.02 -0.01 -0.09 -0.04 0.93 0.77 3ghgK1 LEU 182 HD23 -0.02 -0.00 -0.04 -0.04 0.89 0.79 3ghgK1 GLU 183 H -0.02 0.48 -0.05 -0.55 8.60 8.46 3ghgK1 GLU 183 HA -0.02 -0.09 0.35 -0.75 4.29 3.78 3ghgK1 GLU 183 HB2 -0.02 0.39 0.30 -0.04 2.09 2.72 3ghgK1 GLU 183 HB3 -0.02 0.05 0.09 -0.04 1.99 2.07 3ghgK1 GLU 183 HG2 -0.02 -0.04 0.05 -0.04 2.34 2.30 3ghgK1 GLU 183 HG3 -0.02 -0.07 0.10 -0.04 2.34 2.32 3ghgK1 SER 184 H -0.02 0.44 -0.58 -0.55 8.46 7.75 3ghgK1 SER 184 HA -0.02 0.01 0.61 -0.75 4.49 4.34 3ghgK1 SER 184 HB2 -0.02 -0.09 0.04 -0.04 3.95 3.85 3ghgK1 SER 184 HB3 -0.02 0.04 0.02 -0.04 3.93 3.93 3ghgK1 ASP 185 H -0.02 0.56 0.18 -0.55 8.40 8.58 3ghgK1 ASP 185 HA -0.02 0.02 0.57 -0.75 4.63 4.45 3ghgK1 ASP 185 HB2 -0.02 0.03 0.23 -0.04 2.71 2.92 3ghgK1 ASP 185 HB3 -0.01 -0.07 0.10 -0.04 2.70 2.69 3ghgK1 VAL 186 H -0.03 0.61 -0.05 -0.55 8.24 8.22 3ghgK1 VAL 186 HA -0.03 0.02 0.42 -0.75 4.13 3.78 3ghgK1 VAL 186 HB -0.02 0.05 0.03 -0.04 2.12 2.14 3ghgK1 VAL 186 HG13 -0.03 0.03 -0.12 -0.04 0.97 0.82 3ghgK1 VAL 186 HG23 -0.02 -0.01 0.02 -0.04 0.95 0.90 3ghgK1 SER 187 H -0.05 0.40 -0.22 -0.55 8.46 8.05 3ghgK1 SER 187 HA -0.06 0.00 0.47 -0.75 4.49 4.14 3ghgK1 SER 187 HB2 -0.05 0.18 0.13 -0.04 3.95 4.17 3ghgK1 SER 187 HB3 -0.06 -0.04 0.06 -0.04 3.93 3.85 3ghgK1 ALA 188 H -0.10 0.28 -0.59 -0.55 8.40 7.44 3ghgK1 ALA 188 HA -0.32 0.03 0.58 -0.75 4.34 3.87 3ghgK1 ALA 188 HB3 -0.10 0.09 0.18 -0.04 1.41 1.54 3ghgK1 GLN 189 H -0.13 0.39 -0.07 -0.55 8.47 8.12 3ghgK1 GLN 189 HA -0.10 0.05 0.39 -0.75 4.36 3.94 3ghgK1 GLN 189 HB2 -0.01 0.04 0.13 -0.04 2.15 2.28 3ghgK1 GLN 189 HB3 -0.02 0.03 0.04 -0.04 2.02 2.03 3ghgK1 GLN 189 HG2 0.05 -0.01 -0.02 -0.04 2.40 2.37 3ghgK1 GLN 189 HG3 0.06 0.01 -0.07 -0.04 2.39 2.34 3ghgK1 GLN 189 HE21 0.26 -0.01 -0.04 -0.04 6.97 7.15 3ghgK1 GLN 189 HE22 0.09 0.03 -0.02 -0.04 7.69 7.76 3ghgK1 MET 190 H -0.08 0.48 0.03 -0.55 8.47 8.34 3ghgK1 MET 190 HA -0.03 0.03 0.38 -0.75 4.52 4.15 3ghgK1 MET 190 HB2 -0.07 0.08 0.07 -0.04 2.15 2.18 3ghgK1 MET 190 HB3 -0.04 -0.01 -0.02 -0.04 2.03 1.91 3ghgK1 MET 190 HG2 -0.03 -0.02 0.06 -0.04 2.63 2.60 3ghgK1 MET 190 HG3 -0.04 0.00 -0.04 -0.04 2.56 2.44 3ghgK1 MET 190 HE3 -0.02 -0.01 -0.03 -0.04 2.10 2.00 3ghgK1 GLU 191 H -0.20 0.28 -0.61 -0.55 8.60 7.52 3ghgK1 GLU 191 HA -0.06 0.02 0.50 -0.75 4.29 3.99 3ghgK1 GLU 191 HB2 -0.19 0.13 0.16 -0.04 2.09 2.15 3ghgK1 GLU 191 HB3 -0.44 0.15 0.18 -0.04 1.99 1.84 3ghgK1 GLU 191 HG2 -0.05 -0.02 0.02 -0.04 2.34 2.25 3ghgK1 GLU 191 HG3 -0.01 -0.05 -0.00 -0.04 2.34 2.24 3ghgK1 TYR 192 H -0.46 0.44 0.10 -0.55 8.29 7.83 3ghgK1 TYR 192 HA 0.00 -0.01 0.38 -0.75 4.56 4.17 3ghgK1 TYR 192 HB2 0.00 0.03 0.09 -0.04 3.06 3.14 3ghgK1 TYR 192 HB3 0.00 -0.03 0.19 -0.04 2.98 3.10 3ghgK1 TYR 192 HD2 -0.00 -0.04 -0.02 -0.04 7.15 7.04 3ghgK1 TYR 192 HE2 -0.01 -0.06 -0.01 -0.04 6.85 6.74 3ghgK1 CYS 193 H 0.02 0.19 -1.20 -0.55 8.50 6.97 3ghgK1 CYS 193 HA 0.06 0.18 0.72 -0.75 4.58 4.78 3ghgK1 CYS 193 HB2 0.01 0.09 0.00 -0.04 2.97 3.03 3ghgK1 CYS 193 HB3 0.02 -0.09 0.09 -0.04 2.97 2.95 3ghgK1 ARG 194 H 0.03 0.58 0.03 -0.55 8.46 8.54 3ghgK1 ARG 194 HA 0.01 0.05 0.77 -0.75 4.34 4.43 3ghgK1 ARG 194 HB2 0.03 0.07 0.18 -0.04 1.90 2.14 3ghgK1 ARG 194 HB3 0.02 -0.08 0.04 -0.04 1.80 1.74 3ghgK1 ARG 194 HG2 0.00 -0.07 0.10 -0.04 1.67 1.66 3ghgK1 ARG 194 HG3 0.00 0.12 0.14 -0.04 1.67 1.89 3ghgK1 ARG 194 HD2 0.00 0.04 0.11 -0.04 3.22 3.34 3ghgK1 ARG 194 HD3 0.01 -0.05 0.05 -0.04 3.22 3.19 3ghgK1 THR 195 H 0.05 0.18 -0.21 -0.55 8.28 7.75 3ghgK1 THR 195 HA 0.02 0.15 0.71 -0.75 4.39 4.51 3ghgK1 THR 195 HB 0.03 0.04 -0.01 -0.04 4.32 4.33 3ghgK1 THR 195 HG23 0.03 -0.03 -0.05 -0.04 1.22 1.14 3ghgK1 PRO 196 HA 0.03 0.07 0.47 -0.51 4.44 4.50 3ghgK1 PRO 196 HB2 0.02 0.10 0.06 -0.04 2.28 2.41 3ghgK1 PRO 196 HB3 0.02 0.01 0.07 -0.04 2.02 2.08 3ghgK1 PRO 196 HG2 0.01 0.01 0.02 -0.04 2.03 2.03 3ghgK1 PRO 196 HG3 0.01 0.00 0.07 -0.04 2.03 2.08 3ghgK1 PRO 196 HD2 0.02 0.01 0.20 -0.04 3.68 3.87 3ghgK1 PRO 196 HD3 0.02 0.32 0.24 -0.04 3.65 4.19 3ghgK1 CYS 197 H 0.02 0.05 0.18 -0.55 8.50 8.21 3ghgK1 CYS 197 HA 0.01 0.11 0.61 -0.75 4.58 4.56 3ghgK1 CYS 197 HB2 0.01 -0.01 0.10 -0.04 2.97 3.03 3ghgK1 CYS 197 HB3 0.02 0.03 0.13 -0.04 2.97 3.11 3ghgK1 THR 198 H 0.01 0.20 0.20 -0.55 8.28 8.14 3ghgK1 THR 198 HA 0.01 0.17 0.83 -0.75 4.39 4.63 3ghgK1 THR 198 HB 0.00 0.10 0.08 -0.04 4.32 4.46 3ghgK1 THR 198 HG23 0.01 0.03 -0.23 -0.04 1.22 0.98 3ghgK1 VAL 199 H 0.00 0.19 0.17 -0.55 8.24 8.05 3ghgK1 VAL 199 HA -0.00 0.17 0.80 -0.75 4.13 4.34 3ghgK1 VAL 199 HB -0.00 -0.08 0.03 -0.04 2.12 2.03 3ghgK1 VAL 199 HG13 0.00 0.04 0.09 -0.04 0.97 1.06 3ghgK1 VAL 199 HG23 0.00 0.02 -0.00 -0.04 0.95 0.93 3ghgK1 SER 200 H -0.00 0.16 -0.10 -0.55 8.46 7.97 3ghgK1 SER 200 HA 0.00 0.12 0.42 -0.75 4.49 4.28 3ghgK1 SER 200 HB2 -0.00 -0.03 0.02 -0.04 3.95 3.91 3ghgK1 SER 200 HB3 0.01 0.01 0.03 -0.04 3.93 3.94 3ghgK1 CYS 201 H 0.00 0.21 -0.07 -0.55 8.50 8.10 3ghgK1 CYS 201 HA 0.01 0.07 0.76 -0.75 4.58 4.67 3ghgK1 CYS 201 HB2 -0.00 0.02 0.12 -0.04 2.97 3.07 3ghgK1 CYS 201 HB3 -0.00 0.13 -0.01 -0.04 2.97 3.05 3ghgK1 ASN 202 H 0.03 0.29 0.03 -0.55 8.53 8.33 3ghgK1 ASN 202 HA 0.01 -0.01 0.55 -0.75 4.76 4.56 3ghgK1 ASN 202 HB2 0.04 0.22 0.23 -0.04 2.88 3.33 3ghgK1 ASN 202 HB3 0.02 -0.02 0.06 -0.04 2.79 2.81 3ghgK1 ASN 202 HD21 0.03 -0.10 0.03 -0.04 7.03 6.95 3ghgK1 ASN 202 HD22 0.05 0.26 0.20 -0.04 7.74 8.21 3ghgK1 ILE 203 H 0.00 0.06 0.17 -0.55 8.25 7.94 3ghgK1 ILE 203 HA -0.01 0.19 0.36 -0.75 4.18 3.96 3ghgK1 ILE 203 HB -0.00 -0.10 0.07 -0.04 1.89 1.82 3ghgK1 ILE 203 HG12 -0.00 0.02 -0.06 -0.04 1.49 1.41 3ghgK1 ILE 203 HG13 -0.00 0.13 0.00 -0.04 1.21 1.30 3ghgK1 ILE 203 HG23 0.01 0.02 -0.27 -0.04 0.93 0.65 3ghgK1 ILE 203 HD13 -0.00 -0.03 -0.01 -0.04 0.88 0.80 3ghgK1 PRO 204 HA -0.01 -0.00 0.57 -0.51 4.44 4.48 3ghgK1 PRO 204 HB2 0.16 0.06 -0.07 -0.04 2.28 2.39 3ghgK1 PRO 204 HB3 -0.01 -0.05 0.03 -0.04 2.02 1.95 3ghgK1 PRO 204 HG2 -0.28 0.04 -0.04 -0.04 2.03 1.70 3ghgK1 PRO 204 HG3 -0.14 -0.01 -0.01 -0.04 2.03 1.83 3ghgK1 PRO 204 HD2 -0.01 0.08 0.24 -0.04 3.68 3.96 3ghgK1 PRO 204 HD3 -0.05 0.21 0.29 -0.04 3.65 4.06 3ghgK1 VAL 205 H 0.01 0.04 0.15 -0.55 8.24 7.89 3ghgK1 VAL 205 HA 0.00 0.07 0.14 -0.75 4.13 3.59 3ghgK1 VAL 205 HB -0.00 -0.09 0.15 -0.04 2.12 2.13 3ghgK1 VAL 205 HG13 -0.01 0.00 -0.15 -0.04 0.97 0.77 3ghgK1 VAL 205 HG23 -0.01 -0.00 0.08 -0.04 0.95 0.98 3ghgK1 VAL 206 H 0.02 -0.05 -0.05 -0.55 8.24 7.61 3ghgK1 VAL 206 HA -0.03 0.00 0.34 -0.75 4.13 3.69 3ghgK1 VAL 206 HB -0.02 -0.00 0.03 -0.04 2.12 2.09 3ghgK1 VAL 206 HG13 0.05 -0.03 -0.14 -0.04 0.97 0.81 3ghgK1 VAL 206 HG23 -0.12 0.01 -0.16 -0.04 0.95 0.65 3ghgK1 SER 207 H -0.05 0.22 0.23 -0.55 8.46 8.30 3ghgK1 SER 207 HA -0.07 0.15 0.48 -0.75 4.49 4.29 3ghgK1 SER 207 HB2 -0.03 0.22 -0.13 -0.04 3.95 3.97 3ghgK1 SER 207 HB3 -0.04 -0.08 -0.10 -0.04 3.93 3.66 3ghgK1 GLY 208 H -0.08 0.40 0.25 -0.55 8.43 8.46 3ghgK1 GLY 208 HA2 -0.06 0.11 0.41 -0.51 4.01 3.96 3ghgK1 GLY 208 HA3 -0.07 0.01 0.28 -0.51 4.01 3.72 3ghgK1 LYS 209 H -0.05 0.14 0.16 -0.55 8.42 8.11 3ghgK1 LYS 209 HA -0.07 0.57 0.24 -0.75 4.32 4.31 3ghgK1 LYS 209 HB2 -0.03 -0.10 0.15 -0.04 1.87 1.84 3ghgK1 LYS 209 HB3 -0.03 0.03 0.13 -0.04 1.79 1.89 3ghgK1 LYS 209 HG2 -0.02 0.03 0.13 -0.04 1.46 1.56 3ghgK1 LYS 209 HG3 -0.04 0.15 0.15 -0.04 1.46 1.69 3ghgK1 LYS 209 HD2 -0.03 -0.08 0.14 -0.04 1.69 1.68 3ghgK1 LYS 209 HD3 -0.02 0.01 0.08 -0.04 1.68 1.71 3ghgK1 LYS 209 HE2 -0.03 0.03 0.03 -0.04 2.99 2.98 3ghgK1 LYS 209 HE3 -0.04 -0.07 0.04 -0.04 2.99 2.88 3ghgK1 GLU 210 H -0.06 0.09 -0.16 -0.55 8.60 7.92 3ghgK1 GLU 210 HA -0.04 0.19 0.33 -0.75 4.29 4.01 3ghgK1 GLU 210 HB2 -0.02 -0.05 0.12 -0.04 2.09 2.11 3ghgK1 GLU 210 HB3 -0.02 0.25 -0.03 -0.04 1.99 2.15 3ghgK1 GLU 210 HG2 -0.03 0.16 -0.07 -0.04 2.34 2.37 3ghgK1 GLU 210 HG3 -0.03 -0.07 -0.17 -0.04 2.34 2.03 3ghgK1 CYS 211 H -0.01 0.25 0.04 -0.55 8.50 8.23 3ghgK1 CYS 211 HA -0.10 0.06 0.11 -0.75 4.58 3.89 3ghgK1 CYS 211 HB2 0.01 0.24 -0.30 -0.04 2.97 2.88 3ghgK1 CYS 211 HB3 -0.01 -0.02 -0.25 -0.04 2.97 2.65 3ghgK1 GLU 212 H -0.10 0.14 -0.11 -0.55 8.60 7.98 3ghgK1 GLU 212 HA -0.14 0.08 0.69 -0.75 4.29 4.17 3ghgK1 GLU 212 HB2 -0.22 0.13 0.20 -0.04 2.09 2.16 3ghgK1 GLU 212 HB3 -0.14 -0.03 0.20 -0.04 1.99 1.98 3ghgK1 GLU 212 HG2 -0.10 0.07 -0.00 -0.04 2.34 2.26 3ghgK1 GLU 212 HG3 -0.07 -0.05 -0.34 -0.04 2.34 1.85 3ghgK1 GLU 213 H -0.07 0.09 -0.06 -0.55 8.60 8.01 3ghgK1 GLU 213 HA -0.05 0.09 0.45 -0.75 4.29 4.02 3ghgK1 GLU 213 HB2 -0.05 -0.03 0.14 -0.04 2.09 2.12 3ghgK1 GLU 213 HB3 -0.06 -0.02 0.03 -0.04 1.99 1.89 3ghgK1 GLU 213 HG2 -0.03 0.05 0.10 -0.04 2.34 2.42 3ghgK1 GLU 213 HG3 -0.03 -0.01 0.10 -0.04 2.34 2.36 3ghgK1 ILE 214 H -0.12 0.32 -0.49 -0.55 8.25 7.41 3ghgK1 ILE 214 HA -0.15 0.08 0.33 -0.75 4.18 3.68 3ghgK1 ILE 214 HB -0.22 0.03 -0.01 -0.04 1.89 1.65 3ghgK1 ILE 214 HG12 -0.17 -0.04 -0.33 -0.04 1.49 0.90 3ghgK1 ILE 214 HG13 -0.14 -0.02 -0.29 -0.04 1.21 0.73 3ghgK1 ILE 214 HG23 -0.62 0.01 -0.35 -0.04 0.93 -0.07 3ghgK1 ILE 214 HD13 -0.19 0.09 -0.17 -0.04 0.88 0.57 3ghgK1 ILE 215 H -0.15 0.67 0.11 -0.55 8.25 8.33 3ghgK1 ILE 215 HA -0.13 0.18 0.54 -0.75 4.18 4.01 3ghgK1 ILE 215 HB -0.10 -0.05 0.24 -0.04 1.89 1.93 3ghgK1 ILE 215 HG12 -0.05 0.06 -0.01 -0.04 1.49 1.44 3ghgK1 ILE 215 HG13 -0.05 -0.05 0.04 -0.04 1.21 1.11 3ghgK1 ILE 215 HG23 -0.10 0.05 0.03 -0.04 0.93 0.87 3ghgK1 ILE 215 HD13 -0.02 0.07 0.16 -0.04 0.88 1.05 3ghgK1 ARG 216 H -0.09 0.77 -0.33 -0.55 8.46 8.27 3ghgK1 ARG 216 HA -0.05 -0.00 0.34 -0.75 4.34 3.88 3ghgK1 ARG 216 HB2 -0.06 0.14 0.19 -0.04 1.90 2.13 3ghgK1 ARG 216 HB3 -0.04 -0.07 0.02 -0.04 1.80 1.66 3ghgK1 ARG 216 HG2 -0.04 -0.04 0.01 -0.04 1.67 1.56 3ghgK1 ARG 216 HG3 -0.06 0.07 -0.06 -0.04 1.67 1.59 3ghgK1 ARG 216 HD2 -0.02 -0.01 -0.09 -0.04 3.22 3.07 3ghgK1 ARG 216 HD3 -0.03 -0.10 -0.15 -0.04 3.22 2.89 3ghgK1 LYS 217 H -0.08 0.31 -0.35 -0.55 8.42 7.74 3ghgK1 LYS 217 HA -0.05 0.07 0.62 -0.75 4.32 4.21 3ghgK1 LYS 217 HB2 -0.09 0.07 0.09 -0.04 1.87 1.90 3ghgK1 LYS 217 HB3 -0.06 -0.09 0.17 -0.04 1.79 1.78 3ghgK1 LYS 217 HG2 -0.05 -0.07 0.05 -0.04 1.46 1.34 3ghgK1 LYS 217 HG3 -0.06 0.14 0.06 -0.04 1.46 1.56 3ghgK1 LYS 217 HD2 -0.08 -0.03 -0.11 -0.04 1.69 1.43 3ghgK1 LYS 217 HD3 -0.07 -0.06 0.09 -0.04 1.68 1.59 3ghgK1 LYS 217 HE2 -0.04 -0.06 0.05 -0.04 2.99 2.90 3ghgK1 LYS 217 HE3 -0.05 -0.12 0.06 -0.04 2.99 2.84 3ghgK1 GLY 218 H -0.06 0.51 -0.48 -0.55 8.43 7.84 3ghgK1 GLY 218 HA2 -0.04 0.02 0.21 -0.51 4.01 3.70 3ghgK1 GLY 218 HA3 -0.03 0.04 0.48 -0.51 4.01 3.99 3ghgK1 GLY 219 H -0.11 0.37 -0.03 -0.55 8.43 8.11 3ghgK1 GLY 219 HA2 -0.01 0.03 0.76 -0.51 4.01 4.28 3ghgK1 GLY 219 HA3 -0.22 0.02 0.15 -0.51 4.01 3.45 3ghgK1 GLU 220 H 0.06 0.06 0.06 -0.55 8.60 8.23 3ghgK1 GLU 220 HA 0.03 0.21 0.45 -0.75 4.29 4.23 3ghgK1 GLU 220 HB2 0.04 -0.06 0.08 -0.04 2.09 2.10 3ghgK1 GLU 220 HB3 0.03 0.02 -0.01 -0.04 1.99 1.99 3ghgK1 GLU 220 HG2 0.02 0.03 0.04 -0.04 2.34 2.39 3ghgK1 GLU 220 HG3 0.01 -0.02 -0.00 -0.04 2.34 2.28 3ghgK1 THR 221 H 0.10 0.01 0.07 -0.55 8.28 7.91 3ghgK1 THR 221 HA 0.09 0.01 0.25 -0.75 4.39 3.98 3ghgK1 THR 221 HB 0.08 0.07 0.01 -0.04 4.32 4.44 3ghgK1 THR 221 HG23 0.04 -0.01 0.05 -0.04 1.22 1.25 3ghgK1 SER 222 H 0.11 0.01 0.19 -0.55 8.46 8.23 3ghgK1 SER 222 HA 0.12 0.24 0.47 -0.75 4.49 4.57 3ghgK1 SER 222 HB2 0.20 -0.01 0.13 -0.04 3.95 4.23 3ghgK1 SER 222 HB3 0.34 0.07 0.09 -0.04 3.93 4.38 3ghgK1 GLU 223 H -0.60 0.28 0.28 -0.55 8.60 8.02 3ghgK1 GLU 223 HA -0.44 -0.01 0.39 -0.75 4.29 3.47 3ghgK1 GLU 223 HB2 -0.15 -0.00 0.01 -0.04 2.09 1.91 3ghgK1 GLU 223 HB3 -0.14 0.21 -0.35 -0.04 1.99 1.67 3ghgK1 GLU 223 HG2 -0.95 0.16 -0.30 -0.04 2.34 1.22 3ghgK1 GLU 223 HG3 -1.11 -0.05 -0.66 -0.04 2.34 0.48 3ghgK1 MET 224 H -0.22 0.52 0.17 -0.55 8.47 8.40 3ghgK1 MET 224 HA -0.14 0.13 0.60 -0.75 4.52 4.35 3ghgK1 MET 224 HB2 -0.03 0.05 0.16 -0.04 2.15 2.29 3ghgK1 MET 224 HB3 -0.07 -0.03 0.21 -0.04 2.03 2.11 3ghgK1 MET 224 HG2 -0.01 0.01 -0.18 -0.04 2.63 2.41 3ghgK1 MET 224 HG3 -0.01 -0.11 -0.09 -0.04 2.56 2.31 3ghgK1 MET 224 HE3 -0.01 -0.02 -0.06 -0.04 2.10 1.96 3ghgK1 TYR 225 H -0.09 0.30 0.25 -0.55 8.29 8.20 3ghgK1 TYR 225 HA -0.06 0.20 0.85 -0.75 4.56 4.80 3ghgK1 TYR 225 HB2 -0.07 -0.03 -0.05 -0.04 3.06 2.87 3ghgK1 TYR 225 HB3 -0.06 -0.05 0.09 -0.04 2.98 2.92 3ghgK1 TYR 225 HD2 -0.09 0.04 -0.04 -0.04 7.15 7.03 3ghgK1 TYR 225 HE2 -0.07 -0.03 -0.17 -0.04 6.85 6.55 3ghgK1 LEU 226 H 0.13 0.33 0.16 -0.55 8.37 8.44 3ghgK1 LEU 226 HA -0.01 0.18 0.79 -0.75 4.35 4.55 3ghgK1 LEU 226 HB2 0.01 -0.01 -0.22 -0.04 1.64 1.38 3ghgK1 LEU 226 HB3 0.00 0.11 0.03 -0.04 1.64 1.74 3ghgK1 LEU 226 HG -0.05 -0.02 -0.20 -0.04 1.64 1.33 3ghgK1 LEU 226 HD13 -0.06 -0.05 -0.25 -0.04 0.93 0.53 3ghgK1 LEU 226 HD23 -0.01 -0.01 -0.14 -0.04 0.89 0.69 3ghgK1 ILE 227 H -0.18 0.54 0.27 -0.55 8.25 8.33 3ghgK1 ILE 227 HA -0.12 0.09 0.88 -0.75 4.18 4.28 3ghgK1 ILE 227 HB -0.13 0.10 -0.35 -0.04 1.89 1.47 3ghgK1 ILE 227 HG12 -0.43 0.09 0.00 -0.04 1.49 1.11 3ghgK1 ILE 227 HG13 -0.42 0.05 -0.30 -0.04 1.21 0.50 3ghgK1 ILE 227 HG23 -0.05 -0.05 -0.46 -0.04 0.93 0.33 3ghgK1 ILE 227 HD13 0.10 -0.03 -0.09 -0.04 0.88 0.82 3ghgK1 GLN 228 H -0.14 0.61 0.06 -0.55 8.47 8.46 3ghgK1 GLN 228 HA -0.29 0.12 0.61 -0.75 4.36 4.04 3ghgK1 GLN 228 HB2 -0.13 -0.01 -0.18 -0.04 2.15 1.80 3ghgK1 GLN 228 HB3 -0.09 -0.06 -0.04 -0.04 2.02 1.79 3ghgK1 GLN 228 HG2 -0.07 -0.03 -0.40 -0.04 2.40 1.86 3ghgK1 GLN 228 HG3 -0.10 0.08 -0.06 -0.04 2.39 2.27 3ghgK1 GLN 228 HE21 -0.02 -0.13 -0.00 -0.04 6.97 6.78 3ghgK1 GLN 228 HE22 -0.02 0.58 0.04 -0.04 7.69 8.25 3ghgK1 PRO 229 HA -0.04 0.03 0.70 -0.51 4.44 4.62 3ghgK1 PRO 229 HB2 0.01 -0.02 -0.01 -0.04 2.28 2.22 3ghgK1 PRO 229 HB3 0.00 0.04 0.08 -0.04 2.02 2.11 3ghgK1 PRO 229 HG2 0.10 0.01 0.04 -0.04 2.03 2.14 3ghgK1 PRO 229 HG3 0.01 0.10 0.08 -0.04 2.03 2.17 3ghgK1 PRO 229 HD2 -0.07 0.09 0.12 -0.04 3.68 3.78 3ghgK1 PRO 229 HD3 -0.37 0.14 0.04 -0.04 3.65 3.43 3ghgK1 ASP 230 H -0.01 0.23 -0.04 -0.55 8.40 8.03 3ghgK1 ASP 230 HA -0.01 0.17 0.91 -0.75 4.63 4.95 3ghgK1 ASP 230 HB2 0.01 0.03 -0.11 -0.04 2.71 2.60 3ghgK1 ASP 230 HB3 0.01 0.11 -0.09 -0.04 2.70 2.68 3ghgK1 SER 231 H -0.01 0.17 0.06 -0.55 8.46 8.13 3ghgK1 SER 231 HA -0.02 0.15 0.33 -0.75 4.49 4.20 3ghgK1 SER 231 HB2 -0.01 0.01 0.08 -0.04 3.95 3.99 3ghgK1 SER 231 HB3 -0.01 0.03 0.08 -0.04 3.93 3.99 3ghgK1 SER 232 H 0.00 0.01 -0.48 -0.55 8.46 7.45 3ghgK1 SER 232 HA 0.01 0.13 0.76 -0.75 4.49 4.63 3ghgK1 SER 232 HB2 0.01 -0.02 0.11 -0.04 3.95 4.01 3ghgK1 SER 232 HB3 0.01 -0.00 0.10 -0.04 3.93 4.00 3ghgK1 VAL 233 H 0.01 0.36 -0.47 -0.55 8.24 7.59 3ghgK1 VAL 233 HA 0.03 -0.10 0.22 -0.75 4.13 3.53 3ghgK1 VAL 233 HB 0.04 0.07 0.36 -0.04 2.12 2.55 3ghgK1 VAL 233 HG13 0.03 -0.04 -0.23 -0.04 0.97 0.69 3ghgK1 VAL 233 HG23 0.10 0.04 -0.16 -0.04 0.95 0.89 3ghgK1 LYS 234 H 0.03 0.03 0.10 -0.55 8.42 8.03 3ghgK1 LYS 234 HA 0.00 0.08 0.52 -0.75 4.32 4.17 3ghgK1 LYS 234 HB2 0.02 0.10 0.09 -0.04 1.87 2.04 3ghgK1 LYS 234 HB3 0.02 -0.07 0.13 -0.04 1.79 1.83 3ghgK1 LYS 234 HG2 0.04 -0.11 0.13 -0.04 1.46 1.49 3ghgK1 LYS 234 HG3 0.05 0.10 -0.02 -0.04 1.46 1.55 3ghgK1 LYS 234 HD2 0.02 0.02 0.03 -0.04 1.69 1.72 3ghgK1 LYS 234 HD3 0.02 -0.05 0.05 -0.04 1.68 1.66 3ghgK1 LYS 234 HE2 0.02 -0.04 0.02 -0.04 2.99 2.95 3ghgK1 LYS 234 HE3 0.03 -0.01 0.02 -0.04 2.99 2.99 3ghgK1 PRO 235 HA -0.21 0.08 0.53 -0.51 4.44 4.33 3ghgK1 PRO 235 HB2 -0.08 -0.04 -0.13 -0.04 2.28 2.00 3ghgK1 PRO 235 HB3 -0.15 0.12 -0.04 -0.04 2.02 1.92 3ghgK1 PRO 235 HG2 -0.05 -0.01 0.01 -0.04 2.03 1.94 3ghgK1 PRO 235 HG3 -0.07 0.03 0.03 -0.04 2.03 1.99 3ghgK1 PRO 235 HD2 -0.02 0.03 0.19 -0.04 3.68 3.84 3ghgK1 PRO 235 HD3 -0.02 0.14 0.27 -0.04 3.65 3.99 3ghgK1 TYR 236 H -0.56 0.46 0.34 -0.55 8.29 7.97 3ghgK1 TYR 236 HA -0.03 0.11 0.91 -0.75 4.56 4.80 3ghgK1 TYR 236 HB2 -0.05 0.02 0.08 -0.04 3.06 3.06 3ghgK1 TYR 236 HB3 -0.04 0.04 -0.08 -0.04 2.98 2.87 3ghgK1 TYR 236 HD2 -0.04 0.13 -0.26 -0.04 7.15 6.93 3ghgK1 TYR 236 HE2 -0.03 -0.05 -0.04 -0.04 6.85 6.69 3ghgK1 ARG 237 H 0.10 0.08 0.16 -0.55 8.46 8.25 3ghgK1 ARG 237 HA 0.03 0.20 0.59 -0.75 4.34 4.40 3ghgK1 ARG 237 HB2 -0.02 -0.05 0.09 -0.04 1.90 1.89 3ghgK1 ARG 237 HB3 -0.02 0.02 -0.00 -0.04 1.80 1.75 3ghgK1 ARG 237 HG2 0.00 0.08 -0.04 -0.04 1.67 1.67 3ghgK1 ARG 237 HG3 0.02 -0.05 0.03 -0.04 1.67 1.63 3ghgK1 ARG 237 HD2 -0.01 -0.02 0.02 -0.04 3.22 3.18 3ghgK1 ARG 237 HD3 -0.02 -0.04 -0.01 -0.04 3.22 3.10 3ghgK1 VAL 238 H 0.04 0.74 0.32 -0.55 8.24 8.80 3ghgK1 VAL 238 HA -0.01 0.07 0.62 -0.75 4.13 4.05 3ghgK1 VAL 238 HB 0.18 0.02 -0.28 -0.04 2.12 1.99 3ghgK1 VAL 238 HG13 0.13 -0.00 -0.40 -0.04 0.97 0.66 3ghgK1 VAL 238 HG23 0.17 0.04 0.04 -0.04 0.95 1.16 3ghgK1 TYR 239 H 0.25 0.20 0.16 -0.55 8.29 8.35 3ghgK1 TYR 239 HA 0.08 0.26 0.89 -0.75 4.56 5.04 3ghgK1 TYR 239 HB2 0.14 0.20 0.07 -0.04 3.06 3.43 3ghgK1 TYR 239 HB3 0.22 -0.08 0.08 -0.04 2.98 3.17 3ghgK1 TYR 239 HD2 0.08 0.01 -0.43 -0.04 7.15 6.77 3ghgK1 TYR 239 HE2 0.04 -0.10 -0.42 -0.04 6.85 6.33 3ghgK1 CYS 240 H -0.31 0.49 0.29 -0.55 8.50 8.42 3ghgK1 CYS 240 HA 0.23 0.28 1.16 -0.75 4.58 5.50 3ghgK1 CYS 240 HB2 0.30 -0.04 0.10 -0.04 2.97 3.29 3ghgK1 CYS 240 HB3 0.10 0.06 -0.14 -0.04 2.97 2.96 3ghgK1 ASP 241 H 0.34 0.24 0.09 -0.55 8.40 8.52 3ghgK1 ASP 241 HA 0.32 0.03 0.74 -0.75 4.63 4.97 3ghgK1 ASP 241 HB2 0.20 0.06 0.06 -0.04 2.71 2.98 3ghgK1 ASP 241 HB3 0.30 0.03 0.11 -0.04 2.70 3.10 3ghgK1 MET 242 H 0.19 0.15 0.20 -0.55 8.47 8.45 3ghgK1 MET 242 HA 0.11 -0.09 0.87 -0.75 4.52 4.66 3ghgK1 MET 242 HB2 0.12 0.13 0.11 -0.04 2.15 2.48 3ghgK1 MET 242 HB3 0.06 0.09 0.22 -0.04 2.03 2.36 3ghgK1 MET 242 HG2 0.18 0.13 -0.32 -0.04 2.63 2.58 3ghgK1 MET 242 HG3 0.12 0.11 -0.36 -0.04 2.56 2.39 3ghgK1 MET 242 HE3 -0.28 -0.02 -0.14 -0.04 2.10 1.62 3ghgK1 ASN 243 H 0.19 -0.05 -0.11 -0.55 8.53 8.02 3ghgK1 ASN 243 HA 0.09 0.29 0.89 -0.75 4.76 5.28 3ghgK1 ASN 243 HB2 0.10 -0.10 0.05 -0.04 2.88 2.90 3ghgK1 ASN 243 HB3 0.07 0.03 -0.09 -0.04 2.79 2.75 3ghgK1 ASN 243 HD21 0.06 0.01 -0.03 -0.04 7.03 7.03 3ghgK1 ASN 243 HD22 0.06 -0.02 0.04 -0.04 7.74 7.77 3ghgK1 THR 244 H 0.13 0.01 0.05 -0.55 8.28 7.92 3ghgK1 THR 244 HA 0.05 0.16 0.76 -0.75 4.39 4.60 3ghgK1 THR 244 HB -0.09 0.02 0.00 -0.04 4.32 4.22 3ghgK1 THR 244 HG23 -0.04 0.01 -0.03 -0.04 1.22 1.11 3ghgK1 GLU 245 H 0.07 0.13 0.10 -0.55 8.60 8.36 3ghgK1 GLU 245 HA 0.13 0.03 0.31 -0.75 4.29 4.00 3ghgK1 GLU 245 HB2 0.47 0.10 -0.08 -0.04 2.09 2.53 3ghgK1 GLU 245 HB3 0.29 0.07 0.07 -0.04 1.99 2.37 3ghgK1 GLU 245 HG2 -0.02 -0.11 -0.08 -0.04 2.34 2.10 3ghgK1 GLU 245 HG3 -0.03 0.00 -0.09 -0.04 2.34 2.19 3ghgK1 ASN 246 H 0.11 0.09 -0.26 -0.55 8.53 7.92 3ghgK1 ASN 246 HA 0.06 0.00 0.14 -0.75 4.76 4.21 3ghgK1 ASN 246 HB2 0.03 0.22 -0.22 -0.04 2.88 2.87 3ghgK1 ASN 246 HB3 0.02 -0.00 0.04 -0.04 2.79 2.81 3ghgK1 ASN 246 HD21 0.05 -0.05 -0.09 -0.04 7.03 6.89 3ghgK1 ASN 246 HD22 0.04 0.08 -0.12 -0.04 7.74 7.69 3ghgK1 GLY 247 H 0.24 0.18 -0.96 -0.55 8.43 7.35 3ghgK1 GLY 247 HA2 0.23 -0.16 0.08 -0.51 4.01 3.66 3ghgK1 GLY 247 HA3 0.05 0.10 0.12 -0.51 4.01 3.76 3ghgK1 GLY 248 H -0.05 0.14 0.17 -0.55 8.43 8.15 3ghgK1 GLY 248 HA2 -0.16 -0.03 0.14 -0.51 4.01 3.45 3ghgK1 GLY 248 HA3 -0.35 0.17 0.68 -0.51 4.01 4.00 3ghgK1 TRP 249 H 0.08 0.29 -0.14 -0.55 7.97 7.65 3ghgK1 TRP 249 HA 0.02 0.31 0.26 -0.75 4.62 4.45 3ghgK1 TRP 249 HB2 0.04 -0.05 0.14 -0.04 3.23 3.32 3ghgK1 TRP 249 HB3 0.03 -0.10 -0.06 -0.04 3.23 3.05 3ghgK1 TRP 249 HD1 0.00 -0.16 -0.11 -0.04 7.22 6.91 3ghgK1 TRP 249 HE1 -0.02 0.20 -0.01 -0.04 10.20 10.32 3ghgK1 TRP 249 HE3 0.00 0.01 -0.33 -0.04 7.59 7.23 3ghgK1 TRP 249 HZ2 -0.02 -0.03 -0.13 -0.04 7.44 7.22 3ghgK1 TRP 249 HZ3 -0.01 0.08 -0.23 -0.04 7.13 6.93 3ghgK1 TRP 249 HH2 0.00 -0.05 -0.28 -0.04 7.19 6.81 3ghgK1 THR 250 H 0.32 0.65 0.40 -0.55 8.28 9.10 3ghgK1 THR 250 HA 0.19 0.19 0.99 -0.75 4.39 5.01 3ghgK1 THR 250 HB 0.13 -0.02 0.21 -0.04 4.32 4.60 3ghgK1 THR 250 HG23 0.12 0.03 -0.13 -0.04 1.22 1.20 3ghgK1 VAL 251 H 0.26 0.54 0.28 -0.55 8.24 8.77 3ghgK1 VAL 251 HA 0.10 0.05 0.66 -0.75 4.13 4.18 3ghgK1 VAL 251 HB 0.32 0.02 0.19 -0.04 2.12 2.61 3ghgK1 VAL 251 HG13 -0.12 0.03 -0.16 -0.04 0.97 0.68 3ghgK1 VAL 251 HG23 0.14 -0.03 -0.05 -0.04 0.95 0.96 3ghgK1 ILE 252 H 0.02 0.49 0.46 -0.55 8.25 8.67 3ghgK1 ILE 252 HA -0.05 0.15 0.81 -0.75 4.18 4.35 3ghgK1 ILE 252 HB -0.12 -0.03 -0.05 -0.04 1.89 1.64 3ghgK1 ILE 252 HG12 0.12 0.01 -0.08 -0.04 1.49 1.50 3ghgK1 ILE 252 HG13 0.08 0.12 0.02 -0.04 1.21 1.40 3ghgK1 ILE 252 HG23 -0.25 0.01 -0.00 -0.04 0.93 0.65 3ghgK1 ILE 252 HD13 0.12 0.01 -0.50 -0.04 0.88 0.47 3ghgK1 GLN 253 H -0.07 0.38 0.38 -0.55 8.47 8.62 3ghgK1 GLN 253 HA -0.11 0.39 1.01 -0.75 4.36 4.90 3ghgK1 GLN 253 HB2 0.50 0.06 -0.11 -0.04 2.15 2.56 3ghgK1 GLN 253 HB3 0.25 -0.16 0.09 -0.04 2.02 2.16 3ghgK1 GLN 253 HG2 0.37 0.10 0.05 -0.04 2.40 2.87 3ghgK1 GLN 253 HG3 0.69 -0.00 -0.09 -0.04 2.39 2.94 3ghgK1 GLN 253 HE21 -0.04 -0.08 -0.22 -0.04 6.97 6.59 3ghgK1 GLN 253 HE22 -0.01 0.15 -0.21 -0.04 7.69 7.57 3ghgK1 ASN 254 H -0.12 0.54 0.33 -0.55 8.53 8.74 3ghgK1 ASN 254 HA -0.13 0.24 0.83 -0.75 4.76 4.95 3ghgK1 ASN 254 HB2 -0.27 -0.01 -0.14 -0.04 2.88 2.42 3ghgK1 ASN 254 HB3 -0.28 0.03 0.10 -0.04 2.79 2.60 3ghgK1 ASN 254 HD21 -0.15 -0.11 -0.20 -0.04 7.03 6.54 3ghgK1 ASN 254 HD22 -0.12 0.63 -0.02 -0.04 7.74 8.20 3ghgK1 ARG 255 H -0.14 0.79 0.44 -0.55 8.46 8.99 3ghgK1 ARG 255 HA -0.18 0.06 0.75 -0.75 4.34 4.22 3ghgK1 ARG 255 HB2 -0.13 -0.03 -0.10 -0.04 1.90 1.61 3ghgK1 ARG 255 HB3 -0.28 0.01 0.14 -0.04 1.80 1.63 3ghgK1 ARG 255 HG2 -0.20 -0.03 -0.02 -0.04 1.67 1.38 3ghgK1 ARG 255 HG3 -0.23 0.07 -0.05 -0.04 1.67 1.41 3ghgK1 ARG 255 HD2 -0.48 0.04 -0.42 -0.04 3.22 2.31 3ghgK1 ARG 255 HD3 -0.68 0.10 -0.11 -0.04 3.22 2.49 3ghgK1 GLN 256 H -0.34 0.02 0.23 -0.55 8.47 7.84 3ghgK1 GLN 256 HA -0.20 0.33 0.72 -0.75 4.36 4.45 3ghgK1 GLN 256 HB2 -0.15 -0.02 0.01 -0.04 2.15 1.95 3ghgK1 GLN 256 HB3 -0.15 0.10 -0.09 -0.04 2.02 1.83 3ghgK1 GLN 256 HG2 -0.14 -0.13 -0.23 -0.04 2.40 1.86 3ghgK1 GLN 256 HG3 -0.11 -0.02 -0.23 -0.04 2.39 1.99 3ghgK1 GLN 256 HE21 -0.09 0.08 -0.74 -0.04 6.97 6.19 3ghgK1 GLN 256 HE22 -0.05 -0.20 -0.49 -0.04 7.69 6.91 3ghgK1 ASP 257 H -0.32 -0.01 0.22 -0.55 8.40 7.74 3ghgK1 ASP 257 HA -0.22 0.24 0.59 -0.75 4.63 4.48 3ghgK1 ASP 257 HB2 0.09 -0.09 0.18 -0.04 2.71 2.85 3ghgK1 ASP 257 HB3 0.00 0.13 0.06 -0.04 2.70 2.85 3ghgK1 GLY 258 H 0.21 0.18 0.10 -0.55 8.43 8.37 3ghgK1 GLY 258 HA2 -0.09 0.16 0.49 -0.51 4.01 4.06 3ghgK1 GLY 258 HA3 0.29 0.05 0.38 -0.51 4.01 4.22 3ghgK1 SER 259 H -0.07 0.21 -0.34 -0.55 8.46 7.71 3ghgK1 SER 259 HA 0.06 0.14 -0.09 -0.75 4.49 3.84 3ghgK1 SER 259 HB2 0.04 0.05 0.00 -0.04 3.95 4.01 3ghgK1 SER 259 HB3 0.03 -0.03 -0.04 -0.04 3.93 3.84 3ghgK1 VAL 260 H 0.11 0.14 0.04 -0.55 8.24 7.98 3ghgK1 VAL 260 HA 0.11 0.20 0.93 -0.75 4.13 4.62 3ghgK1 VAL 260 HB 0.38 -0.03 -0.01 -0.04 2.12 2.42 3ghgK1 VAL 260 HG13 0.15 0.01 -0.24 -0.04 0.97 0.85 3ghgK1 VAL 260 HG23 0.13 -0.00 -0.09 -0.04 0.95 0.95 3ghgK1 ASP 261 H 0.08 0.16 0.09 -0.55 8.40 8.18 3ghgK1 ASP 261 HA 0.15 0.06 0.56 -0.75 4.63 4.64 3ghgK1 ASP 261 HB2 0.04 0.04 0.10 -0.04 2.71 2.85 3ghgK1 ASP 261 HB3 -0.02 0.01 0.09 -0.04 2.70 2.73 3ghgK1 PHE 262 H 0.30 0.18 0.12 -0.55 8.34 8.39 3ghgK1 PHE 262 HA 0.08 0.13 0.70 -0.75 4.62 4.77 3ghgK1 PHE 262 HB2 0.09 0.06 0.04 -0.04 3.15 3.29 3ghgK1 PHE 262 HB3 0.16 0.22 0.21 -0.04 3.06 3.61 3ghgK1 PHE 262 HD2 0.15 0.06 -0.19 -0.04 7.28 7.25 3ghgK1 PHE 262 HE2 0.10 -0.07 -0.14 -0.04 7.38 7.24 3ghgK1 PHE 262 HZ 0.03 0.03 -0.23 -0.04 7.32 7.11 3ghgK1 GLY 263 H 0.12 0.02 -0.20 -0.55 8.43 7.82 3ghgK1 GLY 263 HA2 0.28 0.13 0.73 -0.51 4.01 4.64 3ghgK1 GLY 263 HA3 0.20 -0.00 0.27 -0.51 4.01 3.96 3ghgK1 ARG 264 H 0.21 0.32 0.01 -0.55 8.46 8.44 3ghgK1 ARG 264 HA -0.03 0.18 0.83 -0.75 4.34 4.57 3ghgK1 ARG 264 HB2 -0.73 0.05 -0.13 -0.04 1.90 1.05 3ghgK1 ARG 264 HB3 -0.37 -0.08 -0.01 -0.04 1.80 1.30 3ghgK1 ARG 264 HG2 -0.33 0.02 -0.15 -0.04 1.67 1.17 3ghgK1 ARG 264 HG3 -0.48 -0.03 -0.61 -0.04 1.67 0.51 3ghgK1 ARG 264 HD2 -2.76 0.00 -0.16 -0.04 3.22 0.26 3ghgK1 ARG 264 HD3 -0.84 -0.05 -0.09 -0.04 3.22 2.20 3ghgK1 LYS 265 H -0.17 0.16 0.08 -0.55 8.42 7.93 3ghgK1 LYS 265 HA -0.33 -0.04 0.26 -0.75 4.32 3.45 3ghgK1 LYS 265 HB2 -0.03 0.05 0.05 -0.04 1.87 1.90 3ghgK1 LYS 265 HB3 0.03 -0.12 0.12 -0.04 1.79 1.78 3ghgK1 LYS 265 HG2 -0.17 0.01 -0.01 -0.04 1.46 1.24 3ghgK1 LYS 265 HG3 -0.23 0.02 0.00 -0.04 1.46 1.21 3ghgK1 LYS 265 HD2 0.00 0.02 0.03 -0.04 1.69 1.69 3ghgK1 LYS 265 HD3 0.02 0.01 0.03 -0.04 1.68 1.69 3ghgK1 LYS 265 HE2 0.09 0.03 -0.00 -0.04 2.99 3.07 3ghgK1 LYS 265 HE3 0.06 0.04 0.01 -0.04 2.99 3.05 3ghgK1 TRP 266 H 0.25 0.14 0.06 -0.55 7.97 7.88 3ghgK1 TRP 266 HA 0.15 0.09 0.34 -0.75 4.62 4.45 3ghgK1 TRP 266 HB2 0.04 0.03 0.05 -0.04 3.23 3.32 3ghgK1 TRP 266 HB3 0.05 -0.05 0.14 -0.04 3.23 3.33 3ghgK1 TRP 266 HD1 0.09 -0.02 -0.10 -0.04 7.22 7.15 3ghgK1 TRP 266 HE1 0.12 -0.01 -0.03 -0.04 10.20 10.23 3ghgK1 TRP 266 HE3 0.11 -0.16 -0.05 -0.04 7.59 7.45 3ghgK1 TRP 266 HZ2 -0.09 -0.02 0.01 -0.04 7.44 7.30 3ghgK1 TRP 266 HZ3 0.20 0.18 -0.23 -0.04 7.13 7.23 3ghgK1 TRP 266 HH2 0.14 0.10 -0.03 -0.04 7.19 7.36 3ghgK1 ASP 267 H 0.29 0.10 -0.05 -0.55 8.40 8.20 3ghgK1 ASP 267 HA 0.12 0.03 0.24 -0.75 4.63 4.26 3ghgK1 ASP 267 HB2 0.19 -0.02 0.12 -0.04 2.71 2.96 3ghgK1 ASP 267 HB3 0.09 0.09 0.07 -0.04 2.70 2.90 3ghgK1 PRO 268 HA 0.02 0.11 0.42 -0.51 4.44 4.48 3ghgK1 PRO 268 HB2 -0.21 0.12 -0.11 -0.04 2.28 2.03 3ghgK1 PRO 268 HB3 -0.24 0.09 -0.03 -0.04 2.02 1.79 3ghgK1 PRO 268 HG2 -0.10 -0.12 0.00 -0.04 2.03 1.78 3ghgK1 PRO 268 HG3 -0.06 0.10 0.03 -0.04 2.03 2.06 3ghgK1 PRO 268 HD2 0.05 -0.13 -0.38 -0.04 3.68 3.17 3ghgK1 PRO 268 HD3 0.04 0.11 0.03 -0.04 3.65 3.78 3ghgK1 TYR 269 H 0.12 0.42 -0.34 -0.55 8.29 7.94 3ghgK1 TYR 269 HA 0.38 0.07 0.31 -0.75 4.56 4.56 3ghgK1 TYR 269 HB2 -0.07 0.10 0.11 -0.04 3.06 3.16 3ghgK1 TYR 269 HB3 -0.09 -0.05 -0.08 -0.04 2.98 2.72 3ghgK1 TYR 269 HD2 -0.46 0.12 -0.07 -0.04 7.15 6.70 3ghgK1 TYR 269 HE2 -0.51 -0.05 0.09 -0.04 6.85 6.34 3ghgK1 LYS 270 H -0.13 0.50 -0.06 -0.55 8.42 8.18 3ghgK1 LYS 270 HA -0.35 -0.15 0.65 -0.75 4.32 3.71 3ghgK1 LYS 270 HB2 -0.25 -0.04 0.08 -0.04 1.87 1.62 3ghgK1 LYS 270 HB3 -0.04 0.18 0.22 -0.04 1.79 2.10 3ghgK1 LYS 270 HG2 0.01 0.08 -0.17 -0.04 1.46 1.34 3ghgK1 LYS 270 HG3 0.01 -0.21 0.09 -0.04 1.46 1.30 3ghgK1 LYS 270 HD2 0.24 -0.07 0.03 -0.04 1.69 1.85 3ghgK1 LYS 270 HD3 0.28 -0.01 0.01 -0.04 1.68 1.93 3ghgK1 LYS 270 HE2 0.22 -0.02 0.01 -0.04 2.99 3.15 3ghgK1 LYS 270 HE3 0.11 0.07 0.01 -0.04 2.99 3.13 3ghgK1 GLN 271 H 0.00 0.61 0.06 -0.55 8.47 8.60 3ghgK1 GLN 271 HA -0.05 -0.05 0.47 -0.75 4.36 3.98 3ghgK1 GLN 271 HB2 0.03 0.28 0.13 -0.04 2.15 2.55 3ghgK1 GLN 271 HB3 -0.01 -0.04 0.11 -0.04 2.02 2.04 3ghgK1 GLN 271 HG2 0.03 0.11 0.03 -0.04 2.40 2.52 3ghgK1 GLN 271 HG3 0.03 -0.04 -0.04 -0.04 2.39 2.30 3ghgK1 GLN 271 HE21 0.02 -0.02 0.01 -0.04 6.97 6.94 3ghgK1 GLN 271 HE22 0.02 0.04 0.01 -0.04 7.69 7.71 3ghgK1 GLY 272 H 0.10 0.43 -0.16 -0.55 8.43 8.25 3ghgK1 GLY 272 HA2 0.04 0.09 0.18 -0.51 4.01 3.81 3ghgK1 GLY 272 HA3 -0.13 -0.08 0.93 -0.51 4.01 4.22 3ghgK1 PHE 273 H -0.33 0.78 0.38 -0.55 8.34 8.61 3ghgK1 PHE 273 HA -0.05 0.10 0.54 -0.75 4.62 4.45 3ghgK1 PHE 273 HB2 -0.13 -0.08 0.10 -0.04 3.15 3.00 3ghgK1 PHE 273 HB3 -0.13 0.12 -0.12 -0.04 3.06 2.89 3ghgK1 PHE 273 HD2 -0.31 0.07 -0.42 -0.04 7.28 6.58 3ghgK1 PHE 273 HE2 -1.77 -0.01 -0.18 -0.04 7.38 5.38 3ghgK1 PHE 273 HZ -1.27 0.06 -0.04 -0.04 7.32 6.02 3ghgK1 GLY 274 H 0.17 0.15 0.18 -0.55 8.43 8.38 3ghgK1 GLY 274 HA2 0.15 0.01 0.32 -0.51 4.01 3.99 3ghgK1 GLY 274 HA3 0.15 0.14 0.98 -0.51 4.01 4.77 3ghgK1 ASN 275 H 0.15 0.82 0.31 -0.55 8.53 9.27 3ghgK1 ASN 275 HA 0.02 0.11 0.80 -0.75 4.76 4.93 3ghgK1 ASN 275 HB2 0.08 -0.07 0.13 -0.04 2.88 2.97 3ghgK1 ASN 275 HB3 0.04 0.05 -0.02 -0.04 2.79 2.82 3ghgK1 ASN 275 HD21 0.05 0.04 -0.05 -0.04 7.03 7.02 3ghgK1 ASN 275 HD22 0.06 -0.04 -0.03 -0.04 7.74 7.70 3ghgK1 VAL 276 H -0.09 0.17 0.00 -0.55 8.24 7.78 3ghgK1 VAL 276 HA -0.56 0.09 0.21 -0.75 4.13 3.11 3ghgK1 VAL 276 HB -0.17 -0.00 -0.06 -0.04 2.12 1.84 3ghgK1 VAL 276 HG13 -0.44 0.02 -0.24 -0.04 0.97 0.27 3ghgK1 VAL 276 HG23 -0.45 0.03 -0.16 -0.04 0.95 0.34 3ghgK1 ALA 277 H 0.01 0.19 -0.05 -0.55 8.40 8.01 3ghgK1 ALA 277 HA 0.11 0.23 0.32 -0.75 4.34 4.25 3ghgK1 ALA 277 HB3 0.16 0.00 -0.07 -0.04 1.41 1.46 3ghgK1 THR 278 H 0.05 0.50 0.16 -0.55 8.28 8.44 3ghgK1 THR 278 HA 0.00 0.06 0.79 -0.75 4.39 4.49 3ghgK1 THR 278 HB -0.00 0.01 0.00 -0.04 4.32 4.29 3ghgK1 THR 278 HG23 0.02 -0.03 -0.38 -0.04 1.22 0.80 3ghgK1 ASN 279 H -0.02 0.12 0.14 -0.55 8.53 8.22 3ghgK1 ASN 279 HA -0.09 0.05 0.26 -0.75 4.76 4.23 3ghgK1 ASN 279 HB2 -0.03 0.05 0.11 -0.04 2.88 2.97 3ghgK1 ASN 279 HB3 -0.05 0.00 0.05 -0.04 2.79 2.75 3ghgK1 ASN 279 HD21 -0.02 0.41 0.00 -0.04 7.03 7.38 3ghgK1 ASN 279 HD22 -0.05 0.19 -0.02 -0.04 7.74 7.83 3ghgK1 THR 280 H -0.13 0.07 0.11 -0.55 8.28 7.79 3ghgK1 THR 280 HA -0.07 0.26 0.46 -0.75 4.39 4.28 3ghgK1 THR 280 HB -0.15 -0.08 0.18 -0.04 4.32 4.22 3ghgK1 THR 280 HG23 -0.07 0.00 0.07 -0.04 1.22 1.18 3ghgK1 ASP 281 H -0.05 0.18 0.10 -0.55 8.40 8.08 3ghgK1 ASP 281 HA -0.02 0.15 0.66 -0.75 4.63 4.66 3ghgK1 ASP 281 HB2 -0.01 0.05 0.14 -0.04 2.71 2.85 3ghgK1 ASP 281 HB3 -0.01 0.03 0.15 -0.04 2.70 2.83 3ghgK1 GLY 282 H -0.03 0.67 -0.27 -0.55 8.43 8.25 3ghgK1 GLY 282 HA2 -0.03 0.04 0.20 -0.51 4.01 3.72 3ghgK1 GLY 282 HA3 -0.01 0.04 0.35 -0.51 4.01 3.87 3ghgK1 LYS 283 H -0.09 -0.16 -0.45 -0.55 8.42 7.17 3ghgK1 LYS 283 HA 0.02 0.21 0.71 -0.75 4.32 4.51 3ghgK1 LYS 283 HB2 -0.29 -0.09 0.08 -0.04 1.87 1.53 3ghgK1 LYS 283 HB3 -0.06 -0.00 0.07 -0.04 1.79 1.76 3ghgK1 LYS 283 HG2 -0.01 0.17 -0.11 -0.04 1.46 1.46 3ghgK1 LYS 283 HG3 -0.02 -0.02 0.02 -0.04 1.46 1.40 3ghgK1 LYS 283 HD2 0.20 -0.01 0.03 -0.04 1.69 1.87 3ghgK1 LYS 283 HD3 0.10 0.00 0.08 -0.04 1.68 1.82 3ghgK1 LYS 283 HE2 0.04 -0.03 0.02 -0.04 2.99 2.98 3ghgK1 LYS 283 HE3 0.06 -0.01 0.02 -0.04 2.99 3.02 3ghgK1 ASN 284 H 0.19 0.15 0.11 -0.55 8.53 8.43 3ghgK1 ASN 284 HA 0.05 0.14 0.17 -0.75 4.76 4.37 3ghgK1 ASN 284 HB2 0.06 0.02 0.16 -0.04 2.88 3.07 3ghgK1 ASN 284 HB3 0.08 0.01 0.12 -0.04 2.79 2.95 3ghgK1 ASN 284 HD21 0.03 0.02 -0.04 -0.04 7.03 6.99 3ghgK1 ASN 284 HD22 0.21 -0.07 0.07 -0.04 7.74 7.92 3ghgK1 TYR 285 H -0.11 0.27 -0.62 -0.55 8.29 7.28 3ghgK1 TYR 285 HA -0.04 0.12 0.76 -0.75 4.56 4.66 3ghgK1 TYR 285 HB2 -0.08 0.11 -0.10 -0.04 3.06 2.94 3ghgK1 TYR 285 HB3 -0.04 0.11 -0.34 -0.04 2.98 2.66 3ghgK1 TYR 285 HD2 -0.06 -0.05 -0.26 -0.04 7.15 6.74 3ghgK1 TYR 285 HE2 -0.03 0.03 -0.04 -0.04 6.85 6.77 3ghgK1 CYS 286 H 0.01 0.23 0.05 -0.55 8.50 8.24 3ghgK1 CYS 286 HA -0.11 0.16 0.33 -0.75 4.58 4.21 3ghgK1 CYS 286 HB2 -0.00 0.01 0.11 -0.04 2.97 3.05 3ghgK1 CYS 286 HB3 0.00 0.00 -0.21 -0.04 2.97 2.73 3ghgK1 GLY 287 H -0.27 0.30 0.23 -0.55 8.43 8.14 3ghgK1 GLY 287 HA2 0.02 0.07 0.80 -0.51 4.01 4.39 3ghgK1 GLY 287 HA3 -0.05 0.02 0.39 -0.51 4.01 3.86 3ghgK1 LEU 288 H 0.17 0.22 -0.43 -0.55 8.37 7.78 3ghgK1 LEU 288 HA 0.07 0.15 0.72 -0.75 4.35 4.54 3ghgK1 LEU 288 HB2 0.01 0.08 -0.05 -0.04 1.64 1.63 3ghgK1 LEU 288 HB3 -0.01 0.12 -0.12 -0.04 1.64 1.59 3ghgK1 LEU 288 HG -0.03 -0.09 -0.47 -0.04 1.64 1.01 3ghgK1 LEU 288 HD13 -0.03 0.01 -0.24 -0.04 0.93 0.63 3ghgK1 LEU 288 HD23 -0.01 0.01 0.02 -0.04 0.89 0.87 3ghgK1 PRO 289 HA -0.19 0.21 0.41 -0.51 4.44 4.36 3ghgK1 PRO 289 HB2 -0.25 0.16 -0.04 -0.04 2.28 2.10 3ghgK1 PRO 289 HB3 -0.86 -0.05 0.01 -0.04 2.02 1.09 3ghgK1 PRO 289 HG2 -0.16 0.05 -0.13 -0.04 2.03 1.74 3ghgK1 PRO 289 HG3 -0.26 -0.01 -0.03 -0.04 2.03 1.70 3ghgK1 PRO 289 HD2 -0.09 0.10 0.10 -0.04 3.68 3.75 3ghgK1 PRO 289 HD3 -0.19 0.12 0.11 -0.04 3.65 3.65 3ghgK1 GLY 290 H 0.14 0.22 -0.07 -0.55 8.43 8.17 3ghgK1 GLY 290 HA2 0.02 0.10 0.64 -0.51 4.01 4.26 3ghgK1 GLY 290 HA3 0.11 0.22 0.12 -0.51 4.01 3.95 3ghgK1 GLU 291 H 0.08 0.07 0.11 -0.55 8.60 8.32 3ghgK1 GLU 291 HA 0.04 0.37 0.80 -0.75 4.29 4.75 3ghgK1 GLU 291 HB2 0.13 -0.09 0.15 -0.04 2.09 2.24 3ghgK1 GLU 291 HB3 0.25 0.12 0.15 -0.04 1.99 2.46 3ghgK1 GLU 291 HG2 -0.09 0.05 0.06 -0.04 2.34 2.31 3ghgK1 GLU 291 HG3 -0.04 -0.06 0.03 -0.04 2.34 2.22 3ghgK1 TYR 292 H -0.00 0.40 0.22 -0.55 8.29 8.36 3ghgK1 TYR 292 HA 0.01 0.01 0.31 -0.75 4.56 4.14 3ghgK1 TYR 292 HB2 -0.07 0.17 -0.07 -0.04 3.06 3.05 3ghgK1 TYR 292 HB3 0.01 0.03 -0.46 -0.04 2.98 2.53 3ghgK1 TYR 292 HD2 -0.06 0.04 -0.44 -0.04 7.15 6.65 3ghgK1 TYR 292 HE2 -0.03 0.06 -0.05 -0.04 6.85 6.79 3ghgK1 TRP 293 H -0.19 1.01 0.32 -0.55 7.97 8.56 3ghgK1 TRP 293 HA -0.14 0.22 0.96 -0.75 4.62 4.90 3ghgK1 TRP 293 HB2 -0.58 -0.02 -0.03 -0.04 3.23 2.55 3ghgK1 TRP 293 HB3 -1.79 -0.12 0.13 -0.04 3.23 1.41 3ghgK1 TRP 293 HD1 -0.34 -0.16 -0.13 -0.04 7.22 6.54 3ghgK1 TRP 293 HE1 -0.13 0.01 -0.04 -0.04 10.20 10.00 3ghgK1 TRP 293 HE3 0.16 -0.02 0.06 -0.04 7.59 7.74 3ghgK1 TRP 293 HZ2 -0.45 -0.08 -0.11 -0.04 7.44 6.76 3ghgK1 TRP 293 HZ3 0.28 -0.09 -0.10 -0.04 7.13 7.17 3ghgK1 TRP 293 HH2 0.13 -0.07 -0.10 -0.04 7.19 7.11 3ghgK1 LEU 294 H -0.27 0.56 0.22 -0.55 8.37 8.33 3ghgK1 LEU 294 HA -0.24 -0.01 0.61 -0.75 4.35 3.95 3ghgK1 LEU 294 HB2 -0.10 0.06 0.24 -0.04 1.64 1.80 3ghgK1 LEU 294 HB3 -0.45 0.03 0.03 -0.04 1.64 1.21 3ghgK1 LEU 294 HG -0.42 -0.05 0.07 -0.04 1.64 1.21 3ghgK1 LEU 294 HD13 -0.17 0.01 0.07 -0.04 0.93 0.80 3ghgK1 LEU 294 HD23 -0.31 -0.00 -0.07 -0.04 0.89 0.46 3ghgK1 GLY 295 H -0.29 0.21 0.16 -0.55 8.43 7.96 3ghgK1 GLY 295 HA2 -0.13 0.11 -0.10 -0.51 4.01 3.38 3ghgK1 GLY 295 HA3 -0.21 0.12 -0.24 -0.51 4.01 3.18 3ghgK1 ASN 296 H -0.31 0.21 0.39 -0.55 8.53 8.27 3ghgK1 ASN 296 HA -0.42 0.20 0.40 -0.75 4.76 4.19 3ghgK1 ASN 296 HB2 -1.33 -0.14 0.18 -0.04 2.88 1.56 3ghgK1 ASN 296 HB3 -1.44 -0.02 -0.05 -0.04 2.79 1.23 3ghgK1 ASN 296 HD21 -1.05 -0.02 -0.19 -0.04 7.03 5.73 3ghgK1 ASN 296 HD22 -0.95 -0.12 -0.19 -0.04 7.74 6.44 3ghgK1 ASP 297 H -0.41 0.16 0.14 -0.55 8.40 7.75 3ghgK1 ASP 297 HA 0.02 -0.01 0.51 -0.75 4.63 4.40 3ghgK1 ASP 297 HB2 0.03 0.09 -0.01 -0.04 2.71 2.78 3ghgK1 ASP 297 HB3 0.17 -0.10 0.15 -0.04 2.70 2.88 3ghgK1 LYS 298 H -0.18 0.15 -0.37 -0.55 8.42 7.47 3ghgK1 LYS 298 HA -0.13 0.01 0.38 -0.75 4.32 3.83 3ghgK1 LYS 298 HB2 -0.30 0.01 -0.25 -0.04 1.87 1.28 3ghgK1 LYS 298 HB3 -0.41 0.07 -0.13 -0.04 1.79 1.28 3ghgK1 LYS 298 HG2 -0.42 -0.01 0.04 -0.04 1.46 1.03 3ghgK1 LYS 298 HG3 -0.23 -0.05 0.02 -0.04 1.46 1.16 3ghgK1 LYS 298 HD2 -0.39 -0.02 0.10 -0.04 1.69 1.34 3ghgK1 LYS 298 HD3 -0.90 0.02 0.03 -0.04 1.68 0.79 3ghgK1 LYS 298 HE2 -0.43 -0.00 0.02 -0.04 2.99 2.54 3ghgK1 LYS 298 HE3 -0.22 0.02 0.08 -0.04 2.99 2.82 3ghgK1 ILE 299 H -0.20 0.72 -0.69 -0.55 8.25 7.53 3ghgK1 ILE 299 HA -0.13 0.15 0.85 -0.75 4.18 4.29 3ghgK1 ILE 299 HB -0.14 -0.03 0.05 -0.04 1.89 1.73 3ghgK1 ILE 299 HG12 -0.39 -0.07 -0.14 -0.04 1.49 0.84 3ghgK1 ILE 299 HG13 -0.38 0.38 0.07 -0.04 1.21 1.24 3ghgK1 ILE 299 HG23 -0.08 -0.03 -0.10 -0.04 0.93 0.68 3ghgK1 ILE 299 HD13 -0.69 0.01 -0.11 -0.04 0.88 0.06 3ghgK1 SER 300 H -0.09 0.59 0.18 -0.55 8.46 8.60 3ghgK1 SER 300 HA -0.06 0.02 0.39 -0.75 4.49 4.08 3ghgK1 SER 300 HB2 0.08 0.07 -0.38 -0.04 3.95 3.68 3ghgK1 SER 300 HB3 0.12 0.06 -0.26 -0.04 3.93 3.80 3ghgK1 GLN 301 H -0.01 0.39 -0.03 -0.55 8.47 8.27 3ghgK1 GLN 301 HA 0.00 -0.01 0.33 -0.75 4.36 3.94 3ghgK1 GLN 301 HB2 0.01 -0.03 0.07 -0.04 2.15 2.16 3ghgK1 GLN 301 HB3 0.00 0.05 -0.03 -0.04 2.02 2.01 3ghgK1 GLN 301 HG2 0.02 -0.04 -0.03 -0.04 2.40 2.31 3ghgK1 GLN 301 HG3 0.03 -0.01 -0.06 -0.04 2.39 2.31 3ghgK1 GLN 301 HE21 0.02 0.01 -0.23 -0.04 6.97 6.73 3ghgK1 GLN 301 HE22 0.01 -0.02 -0.17 -0.04 7.69 7.48 3ghgK1 LEU 302 H -0.03 0.17 -0.54 -0.55 8.37 7.42 3ghgK1 LEU 302 HA 0.00 -0.03 0.31 -0.75 4.35 3.88 3ghgK1 LEU 302 HB2 -0.03 0.16 0.19 -0.04 1.64 1.92 3ghgK1 LEU 302 HB3 -0.05 0.04 0.03 -0.04 1.64 1.62 3ghgK1 LEU 302 HG 0.06 -0.03 0.07 -0.04 1.64 1.70 3ghgK1 LEU 302 HD13 0.06 0.03 0.04 -0.04 0.93 1.02 3ghgK1 LEU 302 HD23 0.02 -0.04 -0.02 -0.04 0.89 0.80 3ghgK1 THR 303 H -0.12 0.61 -0.24 -0.55 8.28 7.98 3ghgK1 THR 303 HA -0.15 0.04 0.51 -0.75 4.39 4.04 3ghgK1 THR 303 HB -0.42 0.14 0.40 -0.04 4.32 4.40 3ghgK1 THR 303 HG23 -0.62 0.02 -0.03 -0.04 1.22 0.55 3ghgK1 ARG 304 H -0.05 0.52 -0.23 -0.55 8.46 8.14 3ghgK1 ARG 304 HA -0.03 0.09 0.82 -0.75 4.34 4.48 3ghgK1 ARG 304 HB2 -0.01 0.06 0.11 -0.04 1.90 2.03 3ghgK1 ARG 304 HB3 -0.00 -0.11 0.18 -0.04 1.80 1.83 3ghgK1 ARG 304 HG2 -0.02 -0.04 -0.01 -0.04 1.67 1.55 3ghgK1 ARG 304 HG3 -0.04 0.25 -0.04 -0.04 1.67 1.80 3ghgK1 ARG 304 HD2 0.01 -0.04 0.00 -0.04 3.22 3.15 3ghgK1 ARG 304 HD3 0.01 -0.07 -0.01 -0.04 3.22 3.11 3ghgK1 MET 305 H -0.02 0.34 -0.33 -0.55 8.47 7.92 3ghgK1 MET 305 HA 0.01 0.06 0.72 -0.75 4.52 4.56 3ghgK1 MET 305 HB2 0.00 0.26 0.09 -0.04 2.15 2.46 3ghgK1 MET 305 HB3 0.03 -0.09 0.01 -0.04 2.03 1.94 3ghgK1 MET 305 HG2 0.01 -0.06 0.04 -0.04 2.63 2.58 3ghgK1 MET 305 HG3 0.01 0.06 -0.06 -0.04 2.56 2.53 3ghgK1 MET 305 HE3 0.01 -0.02 -0.04 -0.04 2.10 2.01 3ghgK1 GLY 306 H 0.02 0.33 -0.25 -0.55 8.43 7.98 3ghgK1 GLY 306 HA2 0.07 -0.02 0.14 -0.51 4.01 3.70 3ghgK1 GLY 306 HA3 0.14 0.11 0.65 -0.51 4.01 4.41 3ghgK1 PRO 307 HA 0.11 0.03 0.63 -0.51 4.44 4.71 3ghgK1 PRO 307 HB2 0.27 -0.12 0.18 -0.04 2.28 2.57 3ghgK1 PRO 307 HB3 0.30 0.05 0.13 -0.04 2.02 2.46 3ghgK1 PRO 307 HG2 0.41 -0.01 0.11 -0.04 2.03 2.50 3ghgK1 PRO 307 HG3 0.19 0.04 0.10 -0.04 2.03 2.32 3ghgK1 PRO 307 HD2 0.44 0.10 0.23 -0.04 3.68 4.41 3ghgK1 PRO 307 HD3 0.17 0.12 0.18 -0.04 3.65 4.08 3ghgK1 THR 308 H 0.03 0.12 0.30 -0.55 8.28 8.19 3ghgK1 THR 308 HA -0.04 0.23 1.01 -0.75 4.39 4.83 3ghgK1 THR 308 HB -0.09 0.17 0.35 -0.04 4.32 4.72 3ghgK1 THR 308 HG23 0.00 -0.04 -0.10 -0.04 1.22 1.04 3ghgK1 GLU 309 H -0.09 0.32 0.11 -0.55 8.60 8.40 3ghgK1 GLU 309 HA 0.02 0.31 0.76 -0.75 4.29 4.63 3ghgK1 GLU 309 HB2 0.01 -0.12 -0.12 -0.04 2.09 1.82 3ghgK1 GLU 309 HB3 -0.59 -0.01 0.03 -0.04 1.99 1.38 3ghgK1 GLU 309 HG2 -0.14 0.18 -0.14 -0.04 2.34 2.20 3ghgK1 GLU 309 HG3 0.22 -0.08 -0.20 -0.04 2.34 2.25 3ghgK1 LEU 310 H 0.25 0.38 0.20 -0.55 8.37 8.65 3ghgK1 LEU 310 HA 0.31 0.24 1.12 -0.75 4.35 5.27 3ghgK1 LEU 310 HB2 0.39 0.04 -0.04 -0.04 1.64 1.99 3ghgK1 LEU 310 HB3 0.13 0.04 0.05 -0.04 1.64 1.82 3ghgK1 LEU 310 HG -0.02 -0.06 -0.21 -0.04 1.64 1.30 3ghgK1 LEU 310 HD13 -0.01 0.00 -0.10 -0.04 0.93 0.78 3ghgK1 LEU 310 HD23 -0.91 -0.01 -0.09 -0.04 0.89 -0.16 3ghgK1 LEU 311 H -0.13 0.69 0.33 -0.55 8.37 8.71 3ghgK1 LEU 311 HA -0.33 0.22 1.01 -0.75 4.35 4.50 3ghgK1 LEU 311 HB2 -1.03 0.03 -0.15 -0.04 1.64 0.45 3ghgK1 LEU 311 HB3 -1.19 0.00 0.03 -0.04 1.64 0.44 3ghgK1 LEU 311 HG -0.59 -0.04 -0.33 -0.04 1.64 0.64 3ghgK1 LEU 311 HD13 -0.71 -0.02 -0.12 -0.04 0.93 0.04 3ghgK1 LEU 311 HD23 -0.80 0.00 -0.15 -0.04 0.89 -0.10 3ghgK1 ILE 312 H -0.20 0.37 0.30 -0.55 8.25 8.17 3ghgK1 ILE 312 HA -0.20 0.44 1.30 -0.75 4.18 4.97 3ghgK1 ILE 312 HB -0.32 -0.14 0.18 -0.04 1.89 1.57 3ghgK1 ILE 312 HG12 -0.03 -0.04 -0.23 -0.04 1.49 1.14 3ghgK1 ILE 312 HG13 0.10 0.10 0.08 -0.04 1.21 1.45 3ghgK1 ILE 312 HG23 -0.12 0.02 -0.01 -0.04 0.93 0.78 3ghgK1 ILE 312 HD13 0.19 -0.01 -0.06 -0.04 0.88 0.96 3ghgK1 GLU 313 H -0.26 0.36 0.28 -0.55 8.60 8.42 3ghgK1 GLU 313 HA -0.35 0.32 1.06 -0.75 4.29 4.57 3ghgK1 GLU 313 HB2 -0.25 0.00 0.06 -0.04 2.09 1.87 3ghgK1 GLU 313 HB3 -0.25 -0.00 0.02 -0.04 1.99 1.72 3ghgK1 GLU 313 HG2 -0.27 -0.01 -0.07 -0.04 2.34 1.95 3ghgK1 GLU 313 HG3 -0.34 -0.06 -0.25 -0.04 2.34 1.64 3ghgK1 MET 314 H -0.35 0.25 0.35 -0.55 8.47 8.18 3ghgK1 MET 314 HA -0.18 0.27 0.65 -0.75 4.52 4.51 3ghgK1 MET 314 HB2 -0.10 0.02 0.05 -0.04 2.15 2.08 3ghgK1 MET 314 HB3 -0.29 0.08 -0.12 -0.04 2.03 1.66 3ghgK1 MET 314 HG2 -0.62 0.12 -0.02 -0.04 2.63 2.08 3ghgK1 MET 314 HG3 -0.70 -0.05 -0.14 -0.04 2.56 1.62 3ghgK1 MET 314 HE3 -0.92 0.01 -0.22 -0.04 2.10 0.93 3ghgK1 GLU 315 H -0.06 0.59 0.34 -0.55 8.60 8.92 3ghgK1 GLU 315 HA 0.03 0.38 1.09 -0.75 4.29 5.04 3ghgK1 GLU 315 HB2 -0.11 -0.05 -0.13 -0.04 2.09 1.76 3ghgK1 GLU 315 HB3 -0.13 -0.09 0.21 -0.04 1.99 1.95 3ghgK1 GLU 315 HG2 -0.07 0.08 -0.01 -0.04 2.34 2.30 3ghgK1 GLU 315 HG3 -0.01 0.12 0.02 -0.04 2.34 2.44 3ghgK1 ASP 316 H 0.46 0.30 0.23 -0.55 8.40 8.85 3ghgK1 ASP 316 HA 0.43 0.18 0.57 -0.75 4.63 5.05 3ghgK1 ASP 316 HB2 0.23 -0.01 0.21 -0.04 2.71 3.10 3ghgK1 ASP 316 HB3 -0.09 0.14 0.13 -0.04 2.70 2.84 3ghgK1 TRP 317 H 0.63 0.25 0.10 -0.55 7.97 8.40 3ghgK1 TRP 317 HA -0.04 0.20 0.73 -0.75 4.62 4.76 3ghgK1 TRP 317 HB2 0.02 0.08 0.00 -0.04 3.23 3.29 3ghgK1 TRP 317 HB3 -0.06 0.01 0.16 -0.04 3.23 3.29 3ghgK1 TRP 317 HD1 -0.26 0.08 -0.13 -0.04 7.22 6.87 3ghgK1 TRP 317 HE1 -0.44 0.27 -0.52 -0.04 10.20 9.47 3ghgK1 TRP 317 HE3 -0.26 0.06 0.09 -0.04 7.59 7.43 3ghgK1 TRP 317 HZ2 -1.17 0.15 -0.22 -0.04 7.44 6.16 3ghgK1 TRP 317 HZ3 -1.30 0.06 0.06 -0.04 7.13 5.91 3ghgK1 TRP 317 HH2 -2.31 0.03 -0.02 -0.04 7.19 4.85 3ghgK1 LYS 318 H 0.16 -0.18 -0.39 -0.55 8.42 7.45 3ghgK1 LYS 318 HA 0.11 0.29 0.89 -0.75 4.32 4.86 3ghgK1 LYS 318 HB2 0.09 -0.10 -0.00 -0.04 1.87 1.83 3ghgK1 LYS 318 HB3 0.08 0.05 0.03 -0.04 1.79 1.91 3ghgK1 LYS 318 HG2 0.08 0.03 -0.04 -0.04 1.46 1.49 3ghgK1 LYS 318 HG3 0.14 0.16 -0.16 -0.04 1.46 1.56 3ghgK1 LYS 318 HD2 0.20 0.11 -0.12 -0.04 1.69 1.85 3ghgK1 LYS 318 HD3 0.28 -0.29 -0.21 -0.04 1.68 1.41 3ghgK1 LYS 318 HE2 0.01 -0.04 -0.01 -0.04 2.99 2.91 3ghgK1 LYS 318 HE3 0.04 0.05 -0.02 -0.04 2.99 3.02 3ghgK1 GLY 319 H 0.08 -0.04 -0.02 -0.55 8.43 7.90 3ghgK1 GLY 319 HA2 0.01 0.05 0.23 -0.51 4.01 3.79 3ghgK1 GLY 319 HA3 0.02 0.20 0.58 -0.51 4.01 4.30 3ghgK1 ASP 320 H 0.14 -0.09 0.05 -0.55 8.40 7.96 3ghgK1 ASP 320 HA 0.08 0.21 0.81 -0.75 4.63 4.98 3ghgK1 ASP 320 HB2 0.35 -0.10 0.10 -0.04 2.71 3.02 3ghgK1 ASP 320 HB3 0.33 0.08 0.09 -0.04 2.70 3.16 3ghgK1 LYS 321 H -0.02 0.27 0.22 -0.55 8.42 8.34 3ghgK1 LYS 321 HA -0.27 0.37 1.05 -0.75 4.32 4.72 3ghgK1 LYS 321 HB2 -0.14 -0.04 -0.03 -0.04 1.87 1.62 3ghgK1 LYS 321 HB3 -0.21 -0.03 0.11 -0.04 1.79 1.62 3ghgK1 LYS 321 HG2 -0.11 -0.02 -0.15 -0.04 1.46 1.15 3ghgK1 LYS 321 HG3 -0.07 0.10 -0.25 -0.04 1.46 1.20 3ghgK1 LYS 321 HD2 -0.03 0.04 -0.39 -0.04 1.69 1.28 3ghgK1 LYS 321 HD3 -0.02 -0.21 -0.48 -0.04 1.68 0.92 3ghgK1 LYS 321 HE2 -0.06 -0.02 -0.08 -0.04 2.99 2.79 3ghgK1 LYS 321 HE3 -0.03 0.08 -0.03 -0.04 2.99 2.97 3ghgK1 VAL 322 H -0.49 0.40 0.37 -0.55 8.24 7.97 3ghgK1 VAL 322 HA -0.37 0.10 0.82 -0.75 4.13 3.92 3ghgK1 VAL 322 HB -0.63 -0.09 -0.20 -0.04 2.12 1.16 3ghgK1 VAL 322 HG13 -0.74 0.03 -0.25 -0.04 0.97 -0.03 3ghgK1 VAL 322 HG23 -1.54 0.01 -0.11 -0.04 0.95 -0.73 3ghgK1 LYS 323 H -0.29 -0.00 0.26 -0.55 8.42 7.83 3ghgK1 LYS 323 HA -0.33 0.34 0.78 -0.75 4.32 4.36 3ghgK1 LYS 323 HB2 -0.18 -0.13 0.15 -0.04 1.87 1.67 3ghgK1 LYS 323 HB3 -0.25 0.08 0.02 -0.04 1.79 1.59 3ghgK1 LYS 323 HG2 -0.20 0.07 -0.06 -0.04 1.46 1.23 3ghgK1 LYS 323 HG3 -0.24 -0.03 -0.21 -0.04 1.46 0.94 3ghgK1 LYS 323 HD2 -0.16 -0.17 0.13 -0.04 1.69 1.46 3ghgK1 LYS 323 HD3 -0.11 0.06 0.02 -0.04 1.68 1.60 3ghgK1 LYS 323 HE2 -0.16 0.02 -0.05 -0.04 2.99 2.75 3ghgK1 LYS 323 HE3 -0.10 0.04 0.02 -0.04 2.99 2.91 3ghgK1 ALA 324 H -0.27 0.34 0.26 -0.55 8.40 8.18 3ghgK1 ALA 324 HA 0.14 0.02 0.87 -0.75 4.34 4.62 3ghgK1 ALA 324 HB3 -0.06 -0.01 0.11 -0.04 1.41 1.42 3ghgK1 HIS 325 H -0.13 0.27 0.21 -0.55 8.41 8.21 3ghgK1 HIS 325 HA -0.07 0.33 0.73 -0.75 4.63 4.87 3ghgK1 HIS 325 HB2 -0.24 -0.06 0.13 -0.04 3.26 3.06 3ghgK1 HIS 325 HB3 -0.30 -0.04 0.23 -0.04 3.20 3.04 3ghgK1 HIS 325 HD2 -0.10 -0.06 -0.07 -0.04 6.97 6.70 3ghgK1 HIS 325 HE1 0.17 0.06 -0.20 -0.04 7.75 7.74 3ghgK1 TYR 326 H 0.37 0.47 0.27 -0.55 8.29 8.85 3ghgK1 TYR 326 HA 0.10 0.16 0.84 -0.75 4.56 4.91 3ghgK1 TYR 326 HB2 0.05 0.03 0.20 -0.04 3.06 3.30 3ghgK1 TYR 326 HB3 0.07 0.15 0.18 -0.04 2.98 3.34 3ghgK1 TYR 326 HD2 0.11 0.12 -0.26 -0.04 7.15 7.08 3ghgK1 TYR 326 HE2 0.17 -0.05 -0.16 -0.04 6.85 6.77 3ghgK1 GLY 327 H -0.04 0.55 0.29 -0.55 8.43 8.68 3ghgK1 GLY 327 HA2 -0.45 -0.03 0.35 -0.51 4.01 3.37 3ghgK1 GLY 327 HA3 -0.21 -0.01 0.38 -0.51 4.01 3.65 3ghgK1 GLY 328 H 0.12 0.36 -0.26 -0.55 8.43 8.11 3ghgK1 GLY 328 HA2 0.08 0.20 0.85 -0.51 4.01 4.63 3ghgK1 GLY 328 HA3 0.10 -0.12 0.25 -0.51 4.01 3.74 3ghgK1 PHE 329 H 0.10 0.19 0.17 -0.55 8.34 8.24 3ghgK1 PHE 329 HA -0.08 0.19 0.87 -0.75 4.62 4.86 3ghgK1 PHE 329 HB2 -0.01 -0.00 0.03 -0.04 3.15 3.13 3ghgK1 PHE 329 HB3 0.01 0.17 -0.08 -0.04 3.06 3.12 3ghgK1 PHE 329 HD2 -0.09 0.10 -0.10 -0.04 7.28 7.15 3ghgK1 PHE 329 HE2 -0.17 -0.01 -0.20 -0.04 7.38 6.96 3ghgK1 PHE 329 HZ 0.02 -0.02 -0.16 -0.04 7.32 7.13 3ghgK1 THR 330 H 0.03 0.48 0.34 -0.55 8.28 8.60 3ghgK1 THR 330 HA -0.49 0.21 0.98 -0.75 4.39 4.33 3ghgK1 THR 330 HB -0.13 0.17 0.04 -0.04 4.32 4.36 3ghgK1 THR 330 HG23 -0.04 0.01 -0.21 -0.04 1.22 0.94 3ghgK1 VAL 331 H -0.26 0.23 0.19 -0.55 8.24 7.84 3ghgK1 VAL 331 HA -0.03 0.48 0.90 -0.75 4.13 4.72 3ghgK1 VAL 331 HB 0.00 -0.10 -0.04 -0.04 2.12 1.94 3ghgK1 VAL 331 HG13 0.37 0.09 -0.17 -0.04 0.97 1.22 3ghgK1 VAL 331 HG23 0.07 -0.00 -0.22 -0.04 0.95 0.75 3ghgK1 GLN 332 H 0.16 0.35 0.04 -0.55 8.47 8.48 3ghgK1 GLN 332 HA 0.07 0.18 0.81 -0.75 4.36 4.67 3ghgK1 GLN 332 HB2 0.12 -0.00 0.05 -0.04 2.15 2.28 3ghgK1 GLN 332 HB3 0.08 -0.14 0.09 -0.04 2.02 2.02 3ghgK1 GLN 332 HG2 0.02 0.06 -0.28 -0.04 2.40 2.16 3ghgK1 GLN 332 HG3 0.03 0.04 -0.06 -0.04 2.39 2.36 3ghgK1 GLN 332 HE21 0.01 -0.01 -0.08 -0.04 6.97 6.85 3ghgK1 GLN 332 HE22 -0.01 0.03 -0.17 -0.04 7.69 7.50 3ghgK1 ASN 333 H 0.10 0.15 0.11 -0.55 8.53 8.34 3ghgK1 ASN 333 HA 0.24 0.10 0.45 -0.75 4.76 4.80 3ghgK1 ASN 333 HB2 0.08 -0.08 0.17 -0.04 2.88 3.00 3ghgK1 ASN 333 HB3 0.08 0.14 0.15 -0.04 2.79 3.13 3ghgK1 ASN 333 HD21 0.05 0.09 -0.02 -0.04 7.03 7.10 3ghgK1 ASN 333 HD22 0.05 0.07 0.03 -0.04 7.74 7.85 3ghgK1 GLU 334 H 0.09 0.17 0.17 -0.55 8.60 8.49 3ghgK1 GLU 334 HA -0.97 0.09 0.41 -0.75 4.29 3.06 3ghgK1 GLU 334 HB2 0.18 0.00 0.16 -0.04 2.09 2.40 3ghgK1 GLU 334 HB3 0.08 -0.00 0.11 -0.04 1.99 2.14 3ghgK1 GLU 334 HG2 0.17 0.05 -0.09 -0.04 2.34 2.43 3ghgK1 GLU 334 HG3 0.49 0.00 0.05 -0.04 2.34 2.85 3ghgK1 ALA 335 H 0.02 0.05 -0.12 -0.55 8.40 7.80 3ghgK1 ALA 335 HA 0.01 0.10 0.40 -0.75 4.34 4.10 3ghgK1 ALA 335 HB3 0.03 0.01 0.04 -0.04 1.41 1.45 3ghgK1 ASN 336 H 0.05 0.10 -0.48 -0.55 8.53 7.65 3ghgK1 ASN 336 HA 0.17 0.22 0.77 -0.75 4.76 5.17 3ghgK1 ASN 336 HB2 0.12 -0.08 0.02 -0.04 2.88 2.90 3ghgK1 ASN 336 HB3 0.19 0.07 0.14 -0.04 2.79 3.14 3ghgK1 ASN 336 HD21 0.06 0.00 -0.04 -0.04 7.03 7.02 3ghgK1 ASN 336 HD22 0.08 0.05 -0.01 -0.04 7.74 7.82 3ghgK1 LYS 337 H 0.05 0.50 -0.54 -0.55 8.42 7.88 3ghgK1 LYS 337 HA 0.05 -0.03 0.37 -0.75 4.32 3.95 3ghgK1 LYS 337 HB2 0.24 0.02 -0.04 -0.04 1.87 2.05 3ghgK1 LYS 337 HB3 0.44 0.01 0.21 -0.04 1.79 2.41 3ghgK1 LYS 337 HG2 -0.09 -0.08 0.07 -0.04 1.46 1.32 3ghgK1 LYS 337 HG3 0.00 0.23 0.11 -0.04 1.46 1.76 3ghgK1 LYS 337 HD2 -0.30 0.00 0.03 -0.04 1.69 1.38 3ghgK1 LYS 337 HD3 -0.21 -0.05 0.03 -0.04 1.68 1.41 3ghgK1 LYS 337 HE2 -0.09 0.16 0.05 -0.04 2.99 3.07 3ghgK1 LYS 337 HE3 -0.13 -0.07 -0.14 -0.04 2.99 2.61 3ghgK1 TYR 338 H -0.11 0.45 -0.39 -0.55 8.29 7.69 3ghgK1 TYR 338 HA 0.20 0.46 0.32 -0.75 4.56 4.78 3ghgK1 TYR 338 HB2 0.09 0.01 -0.17 -0.04 3.06 2.94 3ghgK1 TYR 338 HB3 0.11 -0.01 0.05 -0.04 2.98 3.09 3ghgK1 TYR 338 HD2 -0.18 0.29 -0.10 -0.04 7.15 7.12 3ghgK1 TYR 338 HE2 -0.30 -0.07 -0.02 -0.04 6.85 6.42 3ghgK1 GLN 339 H 0.27 0.20 -0.19 -0.55 8.47 8.21 3ghgK1 GLN 339 HA 0.21 0.27 0.63 -0.75 4.36 4.72 3ghgK1 GLN 339 HB2 -0.42 0.06 0.07 -0.04 2.15 1.82 3ghgK1 GLN 339 HB3 0.05 -0.11 0.13 -0.04 2.02 2.05 3ghgK1 GLN 339 HG2 -0.09 -0.16 -0.35 -0.04 2.40 1.75 3ghgK1 GLN 339 HG3 -0.24 0.16 -0.22 -0.04 2.39 2.06 3ghgK1 GLN 339 HE21 -0.02 -0.04 -0.03 -0.04 6.97 6.83 3ghgK1 GLN 339 HE22 -0.03 -0.09 -0.08 -0.04 7.69 7.46 3ghgK1 ILE 340 H -0.36 0.58 0.25 -0.55 8.25 8.18 3ghgK1 ILE 340 HA -0.37 0.30 0.92 -0.75 4.18 4.28 3ghgK1 ILE 340 HB -2.54 0.03 -0.04 -0.04 1.89 -0.71 3ghgK1 ILE 340 HG12 -0.57 -0.17 -0.44 -0.04 1.49 0.27 3ghgK1 ILE 340 HG13 -0.48 0.12 -0.08 -0.04 1.21 0.73 3ghgK1 ILE 340 HG23 -1.04 0.02 0.07 -0.04 0.93 -0.06 3ghgK1 ILE 340 HD13 -1.25 -0.03 -0.13 -0.04 0.88 -0.56 3ghgK1 SER 341 H -0.14 0.63 0.39 -0.55 8.46 8.79 3ghgK1 SER 341 HA -0.16 -0.00 0.56 -0.75 4.49 4.14 3ghgK1 SER 341 HB2 -0.06 0.01 0.12 -0.04 3.95 3.98 3ghgK1 SER 341 HB3 -0.08 0.05 -0.01 -0.04 3.93 3.85 3ghgK1 VAL 342 H -0.08 0.28 0.20 -0.55 8.24 8.09 3ghgK1 VAL 342 HA 0.04 0.36 0.82 -0.75 4.13 4.59 3ghgK1 VAL 342 HB -0.34 0.13 0.17 -0.04 2.12 2.04 3ghgK1 VAL 342 HG13 -0.41 0.00 -0.24 -0.04 0.97 0.28 3ghgK1 VAL 342 HG23 -0.35 -0.05 -0.25 -0.04 0.95 0.25 3ghgK1 ASN 343 H 0.18 0.69 0.27 -0.55 8.53 9.13 3ghgK1 ASN 343 HA 0.24 0.01 0.19 -0.75 4.76 4.45 3ghgK1 ASN 343 HB2 0.10 -0.16 0.24 -0.04 2.88 3.02 3ghgK1 ASN 343 HB3 0.08 0.23 0.22 -0.04 2.79 3.28 3ghgK1 ASN 343 HD21 0.06 0.02 -0.12 -0.04 7.03 6.95 3ghgK1 ASN 343 HD22 0.05 0.05 -0.09 -0.04 7.74 7.71 3ghgK1 LYS 344 H 0.13 0.15 0.18 -0.55 8.42 8.33 3ghgK1 LYS 344 HA 0.07 0.07 0.39 -0.75 4.32 4.11 3ghgK1 LYS 344 HB2 0.08 0.03 -0.13 -0.04 1.87 1.81 3ghgK1 LYS 344 HB3 0.04 0.03 0.23 -0.04 1.79 2.06 3ghgK1 LYS 344 HG2 0.08 0.04 0.05 -0.04 1.46 1.59 3ghgK1 LYS 344 HG3 0.09 -0.04 -0.05 -0.04 1.46 1.42 3ghgK1 LYS 344 HD2 0.20 0.01 -0.05 -0.04 1.69 1.81 3ghgK1 LYS 344 HD3 0.13 0.02 -0.03 -0.04 1.68 1.76 3ghgK1 LYS 344 HE2 0.11 -0.02 -0.12 -0.04 2.99 2.92 3ghgK1 LYS 344 HE3 0.14 -0.01 -0.30 -0.04 2.99 2.78 3ghgK1 TYR 345 H 0.16 -0.01 0.10 -0.55 8.29 7.99 3ghgK1 TYR 345 HA -0.42 0.55 0.63 -0.75 4.56 4.56 3ghgK1 TYR 345 HB2 -0.25 -0.05 0.01 -0.04 3.06 2.73 3ghgK1 TYR 345 HB3 -0.06 -0.04 0.11 -0.04 2.98 2.94 3ghgK1 TYR 345 HD2 -0.71 0.10 -0.08 -0.04 7.15 6.41 3ghgK1 TYR 345 HE2 -0.03 0.01 -0.05 -0.04 6.85 6.73 3ghgK1 ARG 346 H -0.94 0.54 0.39 -0.55 8.46 7.90 3ghgK1 ARG 346 HA -0.69 0.04 0.39 -0.75 4.34 3.32 3ghgK1 ARG 346 HB2 -0.26 -0.04 0.08 -0.04 1.90 1.65 3ghgK1 ARG 346 HB3 -0.25 0.16 0.19 -0.04 1.80 1.85 3ghgK1 ARG 346 HG2 -0.35 0.09 -0.23 -0.04 1.67 1.14 3ghgK1 ARG 346 HG3 -0.33 -0.08 0.02 -0.04 1.67 1.24 3ghgK1 ARG 346 HD2 -0.18 0.02 -0.04 -0.04 3.22 2.98 3ghgK1 ARG 346 HD3 -0.34 0.03 -0.07 -0.04 3.22 2.80 3ghgK1 GLY 347 H -0.41 0.24 0.19 -0.55 8.43 7.91 3ghgK1 GLY 347 HA2 -0.17 0.05 0.34 -0.51 4.01 3.71 3ghgK1 GLY 347 HA3 -0.23 0.20 0.90 -0.51 4.01 4.36 3ghgK1 THR 348 H -0.12 0.10 0.32 -0.55 8.28 8.03 3ghgK1 THR 348 HA 0.01 0.20 0.59 -0.75 4.39 4.43 3ghgK1 THR 348 HB -0.07 0.10 0.18 -0.04 4.32 4.48 3ghgK1 THR 348 HG23 -0.05 0.01 0.04 -0.04 1.22 1.18 3ghgK1 ALA 349 H -0.09 0.37 0.08 -0.55 8.40 8.22 3ghgK1 ALA 349 HA -0.42 0.10 0.55 -0.75 4.34 3.82 3ghgK1 ALA 349 HB3 -0.53 -0.03 -0.21 -0.04 1.41 0.60 3ghgK1 GLY 350 H 0.36 0.01 -0.23 -0.55 8.43 8.03 3ghgK1 GLY 350 HA2 0.26 0.04 0.26 -0.51 4.01 4.06 3ghgK1 GLY 350 HA3 0.30 0.28 0.60 -0.51 4.01 4.68 3ghgK1 ASN 351 H -0.06 0.24 0.05 -0.55 8.53 8.23 3ghgK1 ASN 351 HA -0.40 0.06 0.14 -0.75 4.76 3.81 3ghgK1 ASN 351 HB2 -0.81 0.08 0.12 -0.04 2.88 2.23 3ghgK1 ASN 351 HB3 -0.21 0.08 0.24 -0.04 2.79 2.87 3ghgK1 ASN 351 HD21 0.04 0.01 0.02 -0.04 7.03 7.05 3ghgK1 ASN 351 HD22 -0.18 0.10 0.03 -0.04 7.74 7.64 3ghgK1 ALA 352 H 0.01 0.62 0.37 -0.55 8.40 8.86 3ghgK1 ALA 352 HA -0.20 0.11 0.24 -0.75 4.34 3.74 3ghgK1 ALA 352 HB3 -0.95 -0.00 -0.08 -0.04 1.41 0.34 3ghgK1 LEU 353 H 0.06 0.03 -0.33 -0.55 8.37 7.59 3ghgK1 LEU 353 HA 0.13 0.11 0.40 -0.75 4.35 4.23 3ghgK1 LEU 353 HB2 -0.22 -0.02 -0.00 -0.04 1.64 1.36 3ghgK1 LEU 353 HB3 -0.22 0.06 -0.04 -0.04 1.64 1.40 3ghgK1 LEU 353 HG 0.18 -0.08 -0.04 -0.04 1.64 1.66 3ghgK1 LEU 353 HD13 -0.80 0.03 -0.09 -0.04 0.93 0.03 3ghgK1 LEU 353 HD23 0.14 0.01 -0.14 -0.04 0.89 0.87 3ghgK1 MET 354 H 0.01 -0.02 -0.09 -0.55 8.47 7.82 3ghgK1 MET 354 HA -0.02 0.18 0.59 -0.75 4.52 4.53 3ghgK1 MET 354 HB2 0.03 -0.03 0.08 -0.04 2.15 2.19 3ghgK1 MET 354 HB3 0.04 0.09 0.03 -0.04 2.03 2.15 3ghgK1 MET 354 HG2 0.05 0.04 -0.18 -0.04 2.63 2.51 3ghgK1 MET 354 HG3 0.34 -0.11 -0.05 -0.04 2.56 2.70 3ghgK1 MET 354 HE3 0.22 -0.04 0.04 -0.04 2.10 2.28 3ghgK1 ASP 355 H -0.05 0.14 0.12 -0.55 8.40 8.05 3ghgK1 ASP 355 HA -0.03 0.17 0.64 -0.75 4.63 4.66 3ghgK1 ASP 355 HB2 -0.05 0.07 0.09 -0.04 2.71 2.78 3ghgK1 ASP 355 HB3 -0.02 0.03 0.04 -0.04 2.70 2.72 3ghgK1 GLY 356 H -0.09 0.00 -0.00 -0.55 8.43 7.79 3ghgK1 GLY 356 HA2 -0.14 0.11 0.38 -0.51 4.01 3.84 3ghgK1 GLY 356 HA3 -0.11 0.36 0.36 -0.51 4.01 4.11 3ghgK1 ALA 357 H -0.12 0.36 0.20 -0.55 8.40 8.30 3ghgK1 ALA 357 HA -0.09 -0.13 0.26 -0.75 4.34 3.62 3ghgK1 ALA 357 HB3 -0.10 0.01 0.18 -0.04 1.41 1.46 3ghgK1 SER 358 H -0.03 0.03 0.14 -0.55 8.46 8.06 3ghgK1 SER 358 HA -0.01 0.12 0.23 -0.75 4.49 4.08 3ghgK1 SER 358 HB2 0.02 0.02 0.03 -0.04 3.95 3.98 3ghgK1 SER 358 HB3 0.02 -0.03 0.12 -0.04 3.93 4.00 3ghgK1 GLN 359 H -0.01 -0.07 -0.27 -0.55 8.47 7.58 3ghgK1 GLN 359 HA -0.00 0.09 0.38 -0.75 4.36 4.07 3ghgK1 GLN 359 HB2 -0.00 -0.00 -0.01 -0.04 2.15 2.09 3ghgK1 GLN 359 HB3 0.00 0.02 0.03 -0.04 2.02 2.03 3ghgK1 GLN 359 HG2 -0.03 -0.11 -0.03 -0.04 2.40 2.19 3ghgK1 GLN 359 HG3 -0.02 -0.01 -0.07 -0.04 2.39 2.25 3ghgK1 GLN 359 HE21 0.00 0.37 0.02 -0.04 6.97 7.32 3ghgK1 GLN 359 HE22 -0.03 -0.13 -0.14 -0.04 7.69 7.35 3ghgK1 LEU 360 H -0.04 0.03 -0.16 -0.55 8.37 7.65 3ghgK1 LEU 360 HA -0.03 -0.02 0.48 -0.75 4.35 4.02 3ghgK1 LEU 360 HB2 -0.06 0.14 -0.07 -0.04 1.64 1.61 3ghgK1 LEU 360 HB3 -0.06 -0.10 -0.24 -0.04 1.64 1.21 3ghgK1 LEU 360 HG -0.07 -0.12 0.01 -0.04 1.64 1.42 3ghgK1 LEU 360 HD13 -0.11 0.02 0.00 -0.04 0.93 0.80 3ghgK1 LEU 360 HD23 -0.05 -0.01 -0.03 -0.04 0.89 0.76 3ghgK1 MET 361 H -0.03 0.05 0.14 -0.55 8.47 8.09 3ghgK1 MET 361 HA -0.02 0.33 0.85 -0.75 4.52 4.92 3ghgK1 MET 361 HB2 -0.02 -0.08 0.01 -0.04 2.15 2.03 3ghgK1 MET 361 HB3 -0.01 -0.05 0.13 -0.04 2.03 2.06 3ghgK1 MET 361 HG2 -0.02 0.06 -0.16 -0.04 2.63 2.48 3ghgK1 MET 361 HG3 -0.01 -0.05 -0.00 -0.04 2.56 2.46 3ghgK1 MET 361 HE3 -0.00 -0.03 0.01 -0.04 2.10 2.04 3ghgK1 GLY 362 H -0.02 0.20 0.11 -0.55 8.43 8.18 3ghgK1 GLY 362 HA2 -0.01 0.11 0.33 -0.51 4.01 3.93 3ghgK1 GLY 362 HA3 -0.02 -0.03 0.34 -0.51 4.01 3.79 3ghgK1 GLU 363 H -0.02 0.12 0.18 -0.55 8.60 8.33 3ghgK1 GLU 363 HA -0.02 0.12 0.37 -0.75 4.29 4.01 3ghgK1 GLU 363 HB2 -0.01 0.03 0.09 -0.04 2.09 2.16 3ghgK1 GLU 363 HB3 -0.02 -0.05 0.18 -0.04 1.99 2.06 3ghgK1 GLU 363 HG2 -0.03 0.05 -0.40 -0.04 2.34 1.91 3ghgK1 GLU 363 HG3 -0.02 0.04 -0.05 -0.04 2.34 2.27 3ghgK1 ASN 364 H -0.04 0.15 0.04 -0.55 8.53 8.14 3ghgK1 ASN 364 HA -0.07 0.10 0.31 -0.75 4.76 4.35 3ghgK1 ASN 364 HB2 -0.05 0.01 0.08 -0.04 2.88 2.87 3ghgK1 ASN 364 HB3 -0.07 0.01 0.08 -0.04 2.79 2.76 3ghgK1 ASN 364 HD21 -0.03 0.00 0.03 -0.04 7.03 6.99 3ghgK1 ASN 364 HD22 -0.03 0.03 0.07 -0.04 7.74 7.76 3ghgK1 ARG 365 H -0.04 0.31 -0.73 -0.55 8.46 7.44 3ghgK1 ARG 365 HA -0.07 0.04 0.45 -0.75 4.34 4.01 3ghgK1 ARG 365 HB2 -0.04 -0.01 -0.71 -0.04 1.90 1.09 3ghgK1 ARG 365 HB3 -0.04 0.03 -0.26 -0.04 1.80 1.49 3ghgK1 ARG 365 HG2 -0.06 -0.04 -0.36 -0.04 1.67 1.17 3ghgK1 ARG 365 HG3 -0.04 0.32 -0.29 -0.04 1.67 1.62 3ghgK1 ARG 365 HD2 -0.03 -0.10 -0.16 -0.04 3.22 2.90 3ghgK1 ARG 365 HD3 -0.03 0.15 -0.17 -0.04 3.22 3.13 3ghgK1 THR 366 H -0.04 0.39 -0.15 -0.55 8.28 7.93 3ghgK1 THR 366 HA -0.05 0.16 0.30 -0.75 4.39 4.04 3ghgK1 THR 366 HB -0.03 0.00 0.09 -0.04 4.32 4.34 3ghgK1 THR 366 HG23 -0.03 0.04 -0.04 -0.04 1.22 1.15 3ghgK1 MET 367 H -0.06 0.17 -0.73 -0.55 8.47 7.30 3ghgK1 MET 367 HA -0.03 0.11 0.74 -0.75 4.52 4.59 3ghgK1 MET 367 HB2 -0.05 -0.07 0.11 -0.04 2.15 2.10 3ghgK1 MET 367 HB3 -0.05 0.07 0.03 -0.04 2.03 2.04 3ghgK1 MET 367 HG2 -0.09 0.05 0.01 -0.04 2.63 2.56 3ghgK1 MET 367 HG3 -0.11 0.15 -0.27 -0.04 2.56 2.29 3ghgK1 MET 367 HE3 -0.06 -0.02 -0.12 -0.04 2.10 1.86 3ghgK1 THR 368 H -0.09 0.46 -0.34 -0.55 8.28 7.76 3ghgK1 THR 368 HA -0.12 0.31 0.43 -0.75 4.39 4.25 3ghgK1 THR 368 HB -0.18 -0.28 -0.31 -0.04 4.32 3.51 3ghgK1 THR 368 HG23 -0.14 0.02 -0.27 -0.04 1.22 0.79 3ghgK1 ILE 369 H -0.12 0.37 -0.20 -0.55 8.25 7.75 3ghgK1 ILE 369 HA -0.24 0.05 0.35 -0.75 4.18 3.60 3ghgK1 ILE 369 HB -0.07 0.02 -0.05 -0.04 1.89 1.75 3ghgK1 ILE 369 HG12 -0.09 -0.22 -0.80 -0.04 1.49 0.34 3ghgK1 ILE 369 HG13 -0.09 0.06 -0.54 -0.04 1.21 0.60 3ghgK1 ILE 369 HG23 -0.06 0.02 -0.14 -0.04 0.93 0.71 3ghgK1 ILE 369 HD13 -0.04 0.15 -0.08 -0.04 0.88 0.86 3ghgK1 HIS 370 H -0.12 0.23 0.22 -0.55 8.41 8.20 3ghgK1 HIS 370 HA 0.06 0.17 0.39 -0.75 4.63 4.50 3ghgK1 HIS 370 HB2 -0.04 -0.10 0.15 -0.04 3.26 3.24 3ghgK1 HIS 370 HB3 -0.00 -0.00 0.07 -0.04 3.20 3.22 3ghgK1 HIS 370 HD2 0.02 -0.01 -0.13 -0.04 6.97 6.81 3ghgK1 HIS 370 HE1 0.51 0.03 0.19 -0.04 7.75 8.43 3ghgK1 ASN 371 H -0.03 0.67 0.17 -0.55 8.53 8.80 3ghgK1 ASN 371 HA -0.15 -0.09 0.34 -0.75 4.76 4.10 3ghgK1 ASN 371 HB2 -0.06 -0.09 -0.00 -0.04 2.88 2.68 3ghgK1 ASN 371 HB3 -0.04 0.07 0.17 -0.04 2.79 2.95 3ghgK1 ASN 371 HD21 -0.00 0.03 0.13 -0.04 7.03 7.15 3ghgK1 ASN 371 HD22 0.00 -0.10 0.09 -0.04 7.74 7.69 3ghgK1 GLY 372 H -0.18 0.41 0.40 -0.55 8.43 8.51 3ghgK1 GLY 372 HA2 -0.14 -0.06 0.46 -0.51 4.01 3.76 3ghgK1 GLY 372 HA3 -0.08 0.09 0.83 -0.51 4.01 4.35 3ghgK1 MET 373 H -0.07 0.89 0.15 -0.55 8.47 8.89 3ghgK1 MET 373 HA 0.01 0.02 0.29 -0.75 4.52 4.09 3ghgK1 MET 373 HB2 0.23 -0.05 0.11 -0.04 2.15 2.39 3ghgK1 MET 373 HB3 0.31 0.11 -0.00 -0.04 2.03 2.40 3ghgK1 MET 373 HG2 0.10 0.15 0.07 -0.04 2.63 2.90 3ghgK1 MET 373 HG3 0.22 -0.10 -0.25 -0.04 2.56 2.40 3ghgK1 MET 373 HE3 0.24 0.04 0.07 -0.04 2.10 2.42 3ghgK1 PHE 374 H 0.37 0.16 0.24 -0.55 8.34 8.56 3ghgK1 PHE 374 HA 0.46 0.21 0.96 -0.75 4.62 5.49 3ghgK1 PHE 374 HB2 0.20 0.25 0.20 -0.04 3.15 3.76 3ghgK1 PHE 374 HB3 0.26 0.02 0.17 -0.04 3.06 3.47 3ghgK1 PHE 374 HD2 0.17 0.10 0.04 -0.04 7.28 7.55 3ghgK1 PHE 374 HE2 0.09 -0.04 -0.08 -0.04 7.38 7.30 3ghgK1 PHE 374 HZ 0.06 -0.07 -0.02 -0.04 7.32 7.26 3ghgK1 PHE 375 H 0.66 0.48 0.19 -0.55 8.34 9.11 3ghgK1 PHE 375 HA -0.43 0.21 0.63 -0.75 4.62 4.29 3ghgK1 PHE 375 HB2 -0.03 0.21 0.00 -0.04 3.15 3.29 3ghgK1 PHE 375 HB3 0.13 -0.11 -0.09 -0.04 3.06 2.94 3ghgK1 PHE 375 HD2 -1.63 -0.00 -0.26 -0.04 7.28 5.35 3ghgK1 PHE 375 HE2 -1.22 -0.02 -0.15 -0.04 7.38 5.95 3ghgK1 PHE 375 HZ -1.11 0.12 -0.29 -0.04 7.32 6.00 3ghgK1 SER 376 H -0.57 0.41 0.37 -0.55 8.46 8.12 3ghgK1 SER 376 HA 0.29 0.18 0.79 -0.75 4.49 5.00 3ghgK1 SER 376 HB2 0.19 -0.04 0.09 -0.04 3.95 4.15 3ghgK1 SER 376 HB3 0.16 0.02 0.10 -0.04 3.93 4.17 3ghgK1 THR 377 H 0.29 0.25 0.23 -0.55 8.28 8.50 3ghgK1 THR 377 HA -0.04 0.22 0.70 -0.75 4.39 4.51 3ghgK1 THR 377 HB 0.04 0.29 0.09 -0.04 4.32 4.70 3ghgK1 THR 377 HG23 0.26 0.05 -0.21 -0.04 1.22 1.27 3ghgK1 TYR 378 H 0.02 0.30 -0.01 -0.55 8.29 8.05 3ghgK1 TYR 378 HA 0.06 -0.01 -0.10 -0.75 4.56 3.75 3ghgK1 TYR 378 HB2 0.02 0.05 -0.06 -0.04 3.06 3.03 3ghgK1 TYR 378 HB3 0.06 0.06 -0.14 -0.04 2.98 2.91 3ghgK1 TYR 378 HD2 0.06 0.01 -0.31 -0.04 7.15 6.87 3ghgK1 TYR 378 HE2 0.04 0.16 -0.37 -0.04 6.85 6.63 3ghgK1 ASP 379 H -0.09 -0.07 -0.66 -0.55 8.40 7.03 3ghgK1 ASP 379 HA 0.08 0.25 0.59 -0.75 4.63 4.79 3ghgK1 ASP 379 HB2 0.04 0.08 0.18 -0.04 2.71 2.96 3ghgK1 ASP 379 HB3 0.00 0.02 -0.02 -0.04 2.70 2.66 3ghgK1 ARG 380 H 0.08 1.13 0.11 -0.55 8.46 9.23 3ghgK1 ARG 380 HA -0.08 0.12 0.48 -0.75 4.34 4.11 3ghgK1 ARG 380 HB2 -0.08 -0.01 -0.11 -0.04 1.90 1.66 3ghgK1 ARG 380 HB3 0.23 -0.25 0.17 -0.04 1.80 1.92 3ghgK1 ARG 380 HG2 -1.28 0.01 -0.03 -0.04 1.67 0.33 3ghgK1 ARG 380 HG3 -0.30 0.08 -0.27 -0.04 1.67 1.14 3ghgK1 ARG 380 HD2 -0.46 0.06 0.00 -0.04 3.22 2.79 3ghgK1 ARG 380 HD3 -0.32 0.06 0.14 -0.04 3.22 3.06 3ghgK1 ASP 381 H -0.05 0.21 0.03 -0.55 8.40 8.04 3ghgK1 ASP 381 HA 0.05 -0.06 0.62 -0.75 4.63 4.49 3ghgK1 ASP 381 HB2 -0.02 0.00 0.08 -0.04 2.71 2.73 3ghgK1 ASP 381 HB3 -0.04 0.06 0.20 -0.04 2.70 2.88 3ghgK1 ASN 382 H 0.10 0.19 0.16 -0.55 8.53 8.43 3ghgK1 ASN 382 HA -0.02 0.17 0.35 -0.75 4.76 4.50 3ghgK1 ASN 382 HB2 0.19 0.22 0.01 -0.04 2.88 3.26 3ghgK1 ASN 382 HB3 -0.07 -0.00 0.19 -0.04 2.79 2.87 3ghgK1 ASN 382 HD21 -0.24 -0.07 0.00 -0.04 7.03 6.68 3ghgK1 ASN 382 HD22 -0.25 0.01 0.13 -0.04 7.74 7.60 3ghgK1 ASP 383 H 0.13 -0.04 0.06 -0.55 8.40 8.01 3ghgK1 ASP 383 HA 0.26 0.51 0.75 -0.75 4.63 5.38 3ghgK1 ASP 383 HB2 0.26 -0.16 0.08 -0.04 2.71 2.86 3ghgK1 ASP 383 HB3 0.24 -0.03 0.09 -0.04 2.70 2.97 3ghgK1 GLY 384 H 0.22 0.01 0.13 -0.55 8.43 8.24 3ghgK1 GLY 384 HA2 0.16 0.23 0.62 -0.51 4.01 4.50 3ghgK1 GLY 384 HA3 0.15 0.11 0.35 -0.51 4.01 4.11 3ghgK1 TRP 385 H 0.31 0.01 -0.52 -0.55 7.97 7.23 3ghgK1 TRP 385 HA 0.02 0.21 0.73 -0.75 4.62 4.83 3ghgK1 TRP 385 HB2 0.02 -0.18 0.01 -0.04 3.23 3.03 3ghgK1 TRP 385 HB3 0.02 -0.04 0.12 -0.04 3.23 3.28 3ghgK1 TRP 385 HD1 0.01 0.09 -0.13 -0.04 7.22 7.15 3ghgK1 TRP 385 HE1 0.00 0.01 -0.09 -0.04 10.20 10.09 3ghgK1 TRP 385 HE3 -0.03 -0.24 -0.38 -0.04 7.59 6.90 3ghgK1 TRP 385 HZ2 0.01 0.01 -0.07 -0.04 7.44 7.34 3ghgK1 TRP 385 HZ3 -0.03 0.12 -0.24 -0.04 7.13 6.94 3ghgK1 TRP 385 HH2 0.01 0.05 -0.07 -0.04 7.19 7.13 3ghgK1 LEU 386 H 0.24 0.26 -0.02 -0.55 8.37 8.30 3ghgK1 LEU 386 HA 0.04 0.08 0.43 -0.75 4.35 4.14 3ghgK1 LEU 386 HB2 0.08 -0.02 0.13 -0.04 1.64 1.80 3ghgK1 LEU 386 HB3 0.04 0.02 0.01 -0.04 1.64 1.68 3ghgK1 LEU 386 HG 0.11 0.07 -0.05 -0.04 1.64 1.72 3ghgK1 LEU 386 HD13 0.06 0.00 -0.01 -0.04 0.93 0.93 3ghgK1 LEU 386 HD23 0.08 -0.02 -0.21 -0.04 0.89 0.70 3ghgK1 THR 387 H -0.08 0.29 0.27 -0.55 8.28 8.21 3ghgK1 THR 387 HA -0.07 0.11 0.62 -0.75 4.39 4.30 3ghgK1 THR 387 HB -0.31 0.11 -0.01 -0.04 4.32 4.08 3ghgK1 THR 387 HG23 -0.15 -0.09 0.15 -0.04 1.22 1.08 3ghgK1 SER 388 H -0.09 0.03 0.18 -0.55 8.46 8.04 3ghgK1 SER 388 HA -0.07 0.23 0.77 -0.75 4.49 4.66 3ghgK1 SER 388 HB2 -0.04 0.03 0.06 -0.04 3.95 3.96 3ghgK1 SER 388 HB3 -0.05 -0.04 0.08 -0.04 3.93 3.89 3ghgK1 ASP 389 H -0.14 -0.03 0.13 -0.55 8.40 7.81 3ghgK1 ASP 389 HA -0.08 0.16 0.44 -0.75 4.63 4.39 3ghgK1 ASP 389 HB2 -0.09 0.01 0.12 -0.04 2.71 2.71 3ghgK1 ASP 389 HB3 -0.17 -0.02 0.10 -0.04 2.70 2.57 3ghgK1 PRO 390 HA -0.11 0.13 0.22 -0.51 4.44 4.17 3ghgK1 PRO 390 HB2 -0.04 -0.01 0.05 -0.04 2.28 2.24 3ghgK1 PRO 390 HB3 -0.04 0.05 0.04 -0.04 2.02 2.03 3ghgK1 PRO 390 HG2 -0.03 0.04 0.09 -0.04 2.03 2.09 3ghgK1 PRO 390 HG3 -0.04 0.12 0.10 -0.04 2.03 2.16 3ghgK1 PRO 390 HD2 -0.05 0.02 0.20 -0.04 3.68 3.81 3ghgK1 PRO 390 HD3 -0.06 0.22 0.29 -0.04 3.65 4.06 3ghgK1 ARG 391 H -0.06 0.13 -0.05 -0.55 8.46 7.93 3ghgK1 ARG 391 HA -0.04 0.05 0.35 -0.75 4.34 3.95 3ghgK1 ARG 391 HB2 -0.04 -0.05 -0.03 -0.04 1.90 1.74 3ghgK1 ARG 391 HB3 0.03 0.05 -0.01 -0.04 1.80 1.84 3ghgK1 ARG 391 HG2 0.03 0.03 0.05 -0.04 1.67 1.74 3ghgK1 ARG 391 HG3 -0.01 -0.04 0.06 -0.04 1.67 1.64 3ghgK1 ARG 391 HD2 0.06 0.04 -0.00 -0.04 3.22 3.27 3ghgK1 ARG 391 HD3 0.04 0.02 0.01 -0.04 3.22 3.25 3ghgK1 LYS 392 H -0.27 0.05 -0.88 -0.55 8.42 6.76 3ghgK1 LYS 392 HA -1.05 0.06 0.48 -0.75 4.32 3.06 3ghgK1 LYS 392 HB2 -0.62 0.15 0.15 -0.04 1.87 1.52 3ghgK1 LYS 392 HB3 -1.43 -0.03 0.05 -0.04 1.79 0.35 3ghgK1 LYS 392 HG2 -0.21 -0.11 -0.08 -0.04 1.46 1.02 3ghgK1 LYS 392 HG3 -0.20 -0.05 0.01 -0.04 1.46 1.17 3ghgK1 LYS 392 HD2 0.15 0.02 -0.06 -0.04 1.69 1.76 3ghgK1 LYS 392 HD3 -0.04 0.04 -0.20 -0.04 1.68 1.44 3ghgK1 LYS 392 HE2 0.01 -0.04 -0.07 -0.04 2.99 2.85 3ghgK1 LYS 392 HE3 0.06 -0.00 -0.04 -0.04 2.99 2.97 3ghgK1 GLN 393 H -0.26 0.53 -0.15 -0.55 8.47 8.04 3ghgK1 GLN 393 HA -0.10 0.13 0.52 -0.75 4.36 4.15 3ghgK1 GLN 393 HB2 -0.06 0.12 -0.02 -0.04 2.15 2.15 3ghgK1 GLN 393 HB3 0.02 -0.24 -0.03 -0.04 2.02 1.74 3ghgK1 GLN 393 HG2 -0.05 -0.08 0.07 -0.04 2.40 2.30 3ghgK1 GLN 393 HG3 -0.19 0.27 -0.20 -0.04 2.39 2.22 3ghgK1 GLN 393 HE21 -0.04 -0.03 -0.07 -0.04 6.97 6.78 3ghgK1 GLN 393 HE22 -0.08 0.09 -0.10 -0.04 7.69 7.56 3ghgK1 CYS 394 H 0.24 0.13 0.09 -0.55 8.50 8.42 3ghgK1 CYS 394 HA 0.19 0.13 0.31 -0.75 4.58 4.46 3ghgK1 CYS 394 HB2 -0.01 -0.02 0.12 -0.04 2.97 3.03 3ghgK1 CYS 394 HB3 -0.64 0.09 -0.07 -0.04 2.97 2.31 3ghgK1 SER 395 H 0.06 0.10 -0.12 -0.55 8.46 7.96 3ghgK1 SER 395 HA 0.09 0.18 0.06 -0.75 4.49 4.07 3ghgK1 SER 395 HB2 0.25 0.12 -0.33 -0.04 3.95 3.96 3ghgK1 SER 395 HB3 0.15 0.02 -0.42 -0.04 3.93 3.64 3ghgK1 LYS 396 H 0.03 0.06 -0.63 -0.55 8.42 7.32 3ghgK1 LYS 396 HA -0.06 0.02 0.34 -0.75 4.32 3.86 3ghgK1 LYS 396 HB2 -0.09 0.19 0.10 -0.04 1.87 2.03 3ghgK1 LYS 396 HB3 -0.21 0.00 0.00 -0.04 1.79 1.55 3ghgK1 LYS 396 HG2 0.01 -0.22 -0.12 -0.04 1.46 1.09 3ghgK1 LYS 396 HG3 -0.06 0.21 -0.07 -0.04 1.46 1.50 3ghgK1 LYS 396 HD2 -0.03 -0.01 -0.06 -0.04 1.69 1.55 3ghgK1 LYS 396 HD3 0.06 -0.05 -0.01 -0.04 1.68 1.63 3ghgK1 LYS 396 HE2 0.07 0.06 -0.00 -0.04 2.99 3.07 3ghgK1 LYS 396 HE3 0.06 -0.09 -0.09 -0.04 2.99 2.83 3ghgK1 GLU 397 H -0.02 0.31 -0.10 -0.55 8.60 8.24 3ghgK1 GLU 397 HA -0.14 0.04 0.34 -0.75 4.29 3.78 3ghgK1 GLU 397 HB2 0.10 0.01 0.19 -0.04 2.09 2.35 3ghgK1 GLU 397 HB3 0.13 -0.11 -0.02 -0.04 1.99 1.94 3ghgK1 GLU 397 HG2 0.13 -0.00 0.04 -0.04 2.34 2.47 3ghgK1 GLU 397 HG3 0.06 0.09 0.13 -0.04 2.34 2.58 3ghgK1 ASP 398 H -0.07 0.48 0.03 -0.55 8.40 8.30 3ghgK1 ASP 398 HA 0.06 -0.01 0.20 -0.75 4.63 4.14 3ghgK1 ASP 398 HB2 -0.37 -0.01 -0.17 -0.04 2.71 2.12 3ghgK1 ASP 398 HB3 -0.03 0.06 -0.06 -0.04 2.70 2.63 3ghgK1 GLY 399 H 0.04 0.24 -0.47 -0.55 8.43 7.70 3ghgK1 GLY 399 HA2 0.09 0.09 0.15 -0.51 4.01 3.83 3ghgK1 GLY 399 HA3 0.09 -0.05 0.11 -0.51 4.01 3.64 3ghgK1 GLY 400 H 0.21 0.26 0.13 -0.55 8.43 8.48 3ghgK1 GLY 400 HA2 0.24 -0.20 0.41 -0.51 4.01 3.95 3ghgK1 GLY 400 HA3 0.23 0.49 0.87 -0.51 4.01 5.09 3ghgK1 GLY 401 H -0.31 0.12 0.24 -0.55 8.43 7.94 3ghgK1 GLY 401 HA2 -0.74 0.46 0.57 -0.51 4.01 3.79 3ghgK1 GLY 401 HA3 -1.51 -0.03 0.33 -0.51 4.01 2.28 3ghgK1 TRP 402 H -1.62 0.27 0.37 -0.55 7.97 6.44 3ghgK1 TRP 402 HA -1.11 0.08 0.45 -0.75 4.62 3.28 3ghgK1 TRP 402 HB2 -0.91 0.24 -0.29 -0.04 3.23 2.23 3ghgK1 TRP 402 HB3 -2.28 -0.07 -0.22 -0.04 3.23 0.61 3ghgK1 TRP 402 HD1 -0.36 -0.01 -0.45 -0.04 7.22 6.36 3ghgK1 TRP 402 HE1 -0.99 -0.03 0.06 -0.04 10.20 9.20 3ghgK1 TRP 402 HE3 -0.35 0.18 0.07 -0.04 7.59 7.45 3ghgK1 TRP 402 HZ2 -0.11 -0.06 -0.02 -0.04 7.44 7.20 3ghgK1 TRP 402 HZ3 0.17 0.03 -0.08 -0.04 7.13 7.21 3ghgK1 TRP 402 HH2 0.19 -0.02 -0.07 -0.04 7.19 7.25 3ghgK1 TRP 403 H -2.06 0.15 0.05 -0.55 7.97 5.57 3ghgK1 TRP 403 HA -0.21 0.48 0.73 -0.75 4.62 4.86 3ghgK1 TRP 403 HB2 -0.84 -0.11 0.15 -0.04 3.23 2.40 3ghgK1 TRP 403 HB3 -0.17 0.07 0.07 -0.04 3.23 3.16 3ghgK1 TRP 403 HD1 0.05 0.00 -0.86 -0.04 7.22 6.36 3ghgK1 TRP 403 HE1 0.18 0.74 0.21 -0.04 10.20 11.28 3ghgK1 TRP 403 HE3 -1.30 -0.06 -0.01 -0.04 7.59 6.18 3ghgK1 TRP 403 HZ2 0.03 0.06 -0.06 -0.04 7.44 7.43 3ghgK1 TRP 403 HZ3 -0.16 -0.02 -0.09 -0.04 7.13 6.82 3ghgK1 TRP 403 HH2 0.13 -0.01 -0.11 -0.04 7.19 7.16 3ghgK1 TYR 404 H -0.00 0.44 0.05 -0.55 8.29 8.22 3ghgK1 TYR 404 HA 0.41 0.27 0.64 -0.75 4.56 5.13 3ghgK1 TYR 404 HB2 0.11 0.01 0.11 -0.04 3.06 3.25 3ghgK1 TYR 404 HB3 0.19 -0.21 0.01 -0.04 2.98 2.93 3ghgK1 TYR 404 HD2 0.20 0.08 -0.11 -0.04 7.15 7.27 3ghgK1 TYR 404 HE2 -0.08 0.13 -0.19 -0.04 6.85 6.66 3ghgK1 ASN 405 H 0.37 0.62 0.08 -0.55 8.53 9.06 3ghgK1 ASN 405 HA 0.20 -0.36 0.62 -0.75 4.76 4.46 3ghgK1 ASN 405 HB2 0.18 0.11 -0.02 -0.04 2.88 3.11 3ghgK1 ASN 405 HB3 0.13 0.03 -0.04 -0.04 2.79 2.87 3ghgK1 ASN 405 HD21 0.00 0.01 -0.16 -0.04 7.03 6.85 3ghgK1 ASN 405 HD22 -0.01 0.08 -0.10 -0.04 7.74 7.68 3ghgK1 ARG 406 H 0.13 -0.12 0.05 -0.55 8.46 7.97 3ghgK1 ARG 406 HA -0.21 -0.10 0.29 -0.75 4.34 3.56 3ghgK1 ARG 406 HB2 0.02 -0.05 -0.38 -0.04 1.90 1.46 3ghgK1 ARG 406 HB3 -0.06 0.37 -0.13 -0.04 1.80 1.93 3ghgK1 ARG 406 HG2 -0.34 -0.03 0.05 -0.04 1.67 1.31 3ghgK1 ARG 406 HG3 -0.37 -0.10 -0.03 -0.04 1.67 1.13 3ghgK1 ARG 406 HD2 0.00 0.15 0.05 -0.04 3.22 3.38 3ghgK1 ARG 406 HD3 -0.08 0.04 0.04 -0.04 3.22 3.19 3ghgK1 CYS 407 H -0.19 -0.02 0.11 -0.55 8.50 7.85 3ghgK1 CYS 407 HA 0.05 -0.21 -0.12 -0.75 4.58 3.54 3ghgK1 CYS 407 HB2 -0.13 0.09 0.02 -0.04 2.97 2.91 3ghgK1 CYS 407 HB3 -0.08 0.01 -0.15 -0.04 2.97 2.71 3ghgK1 HIS 408 H -0.21 0.17 0.18 -0.55 8.41 8.00 3ghgK1 HIS 408 HA 0.25 0.19 0.40 -0.75 4.63 4.71 3ghgK1 HIS 408 HB2 0.37 0.01 -0.02 -0.04 3.26 3.58 3ghgK1 HIS 408 HB3 0.46 0.08 -0.39 -0.04 3.20 3.31 3ghgK1 HIS 408 HD2 -0.03 -0.15 -0.78 -0.04 6.97 5.97 3ghgK1 HIS 408 HE1 -0.07 0.19 -0.08 -0.04 7.75 7.74 3ghgK1 ALA 409 H 0.37 0.19 0.12 -0.55 8.40 8.54 3ghgK1 ALA 409 HA -0.09 0.14 0.88 -0.75 4.34 4.52 3ghgK1 ALA 409 HB3 -0.15 0.06 0.11 -0.04 1.41 1.38 3ghgK1 ALA 410 H 0.42 0.18 0.09 -0.55 8.40 8.55 3ghgK1 ALA 410 HA -0.02 0.17 0.62 -0.75 4.34 4.36 3ghgK1 ALA 410 HB3 -0.53 0.00 0.02 -0.04 1.41 0.86 3ghgK1 ASN 411 H -0.19 0.60 0.21 -0.55 8.53 8.60 3ghgK1 ASN 411 HA -1.08 0.20 0.98 -0.75 4.76 4.11 3ghgK1 ASN 411 HB2 -1.47 -0.09 -0.12 -0.04 2.88 1.15 3ghgK1 ASN 411 HB3 -0.43 0.25 0.28 -0.04 2.79 2.84 3ghgK1 ASN 411 HD21 -0.04 0.42 0.04 -0.04 7.03 7.40 3ghgK1 ASN 411 HD22 -0.17 0.09 0.22 -0.04 7.74 7.84 3ghgK1 PRO 412 HA -0.23 0.05 0.24 -0.51 4.44 4.00 3ghgK1 PRO 412 HB2 -0.26 0.08 -0.16 -0.04 2.28 1.89 3ghgK1 PRO 412 HB3 -0.10 0.01 -0.06 -0.04 2.02 1.83 3ghgK1 PRO 412 HG2 -0.19 0.04 -0.08 -0.04 2.03 1.76 3ghgK1 PRO 412 HG3 -0.01 -0.00 -0.12 -0.04 2.03 1.85 3ghgK1 PRO 412 HD2 -2.68 0.15 0.05 -0.04 3.68 1.15 3ghgK1 PRO 412 HD3 -0.64 0.03 -0.61 -0.04 3.65 2.39 3ghgK1 ASN 413 H -0.59 0.05 -0.40 -0.55 8.53 7.04 3ghgK1 ASN 413 HA -0.15 0.17 0.79 -0.75 4.76 4.81 3ghgK1 ASN 413 HB2 -0.16 0.03 -0.07 -0.04 2.88 2.64 3ghgK1 ASN 413 HB3 0.15 -0.02 0.06 -0.04 2.79 2.94 3ghgK1 ASN 413 HD21 -0.81 -0.12 -0.06 -0.04 7.03 6.00 3ghgK1 ASN 413 HD22 -0.30 0.05 0.07 -0.04 7.74 7.52 3ghgK1 GLY 414 H -0.21 0.22 -0.36 -0.55 8.43 7.53 3ghgK1 GLY 414 HA2 0.00 0.29 0.54 -0.51 4.01 4.34 3ghgK1 GLY 414 HA3 -0.08 -0.09 0.41 -0.51 4.01 3.74 3ghgK1 ARG 415 H -0.08 -0.03 0.18 -0.55 8.46 7.97 3ghgK1 ARG 415 HA -0.06 0.10 0.36 -0.75 4.34 3.99 3ghgK1 ARG 415 HB2 -0.63 -0.01 -0.12 -0.04 1.90 1.10 3ghgK1 ARG 415 HB3 -0.23 0.02 0.03 -0.04 1.80 1.57 3ghgK1 ARG 415 HG2 -0.03 -0.04 0.11 -0.04 1.67 1.67 3ghgK1 ARG 415 HG3 -0.05 -0.01 -0.02 -0.04 1.67 1.54 3ghgK1 ARG 415 HD2 -0.01 -0.00 0.01 -0.04 3.22 3.17 3ghgK1 ARG 415 HD3 0.04 0.05 -0.01 -0.04 3.22 3.26 3ghgK1 TYR 416 H -0.01 0.15 0.08 -0.55 8.29 7.96 3ghgK1 TYR 416 HA -0.10 0.13 0.63 -0.75 4.56 4.46 3ghgK1 TYR 416 HB2 -0.06 0.07 0.02 -0.04 3.06 3.05 3ghgK1 TYR 416 HB3 0.03 -0.06 0.14 -0.04 2.98 3.05 3ghgK1 TYR 416 HD2 0.09 -0.05 -0.18 -0.04 7.15 6.96 3ghgK1 TYR 416 HE2 -0.22 -0.01 -0.26 -0.04 6.85 6.32 3ghgK1 TYR 417 H -0.21 0.17 0.11 -0.55 8.29 7.81 3ghgK1 TYR 417 HA -0.07 0.08 0.61 -0.75 4.56 4.43 3ghgK1 TYR 417 HB2 -0.37 -0.03 0.04 -0.04 3.06 2.66 3ghgK1 TYR 417 HB3 -0.21 0.14 -0.19 -0.04 2.98 2.67 3ghgK1 TYR 417 HD2 -0.52 -0.01 -0.06 -0.04 7.15 6.53 3ghgK1 TYR 417 HE2 -0.25 0.15 -0.21 -0.04 6.85 6.51 3ghgK1 TRP 418 H 0.19 0.14 0.14 -0.55 7.97 7.89 3ghgK1 TRP 418 HA -0.63 0.07 0.32 -0.75 4.62 3.63 3ghgK1 TRP 418 HB2 -0.05 0.03 0.13 -0.04 3.23 3.30 3ghgK1 TRP 418 HB3 -0.22 0.02 0.03 -0.04 3.23 3.02 3ghgK1 TRP 418 HD1 -0.30 0.03 -0.09 -0.04 7.22 6.81 3ghgK1 TRP 418 HE1 0.16 0.02 0.03 -0.04 10.20 10.37 3ghgK1 TRP 418 HE3 0.31 0.04 -0.01 -0.04 7.59 7.89 3ghgK1 TRP 418 HZ2 0.25 0.01 0.03 -0.04 7.44 7.68 3ghgK1 TRP 418 HZ3 0.29 -0.14 0.04 -0.04 7.13 7.28 3ghgK1 TRP 418 HH2 0.19 -0.01 0.04 -0.04 7.19 7.37 3ghgK1 GLY 419 H -3.82 0.15 0.16 -0.55 8.43 4.36 3ghgK1 GLY 419 HA2 -1.23 0.02 0.39 -0.51 4.01 2.67 3ghgK1 GLY 419 HA3 -0.62 0.07 0.47 -0.51 4.01 3.42 3ghgK1 GLY 420 H -1.57 0.35 -0.82 -0.55 8.43 5.85 3ghgK1 GLY 420 HA2 -0.42 0.06 0.30 -0.51 4.01 3.44 3ghgK1 GLY 420 HA3 -0.86 0.01 0.26 -0.51 4.01 2.91 3ghgK1 GLN 421 H -0.40 0.62 -0.11 -0.55 8.47 8.02 3ghgK1 GLN 421 HA -0.05 0.09 0.52 -0.75 4.36 4.16 3ghgK1 GLN 421 HB2 -0.13 -0.02 0.10 -0.04 2.15 2.07 3ghgK1 GLN 421 HB3 -0.05 -0.03 0.01 -0.04 2.02 1.91 3ghgK1 GLN 421 HG2 -0.06 0.15 0.19 -0.04 2.40 2.64 3ghgK1 GLN 421 HG3 -0.02 -0.05 0.07 -0.04 2.39 2.35 3ghgK1 GLN 421 HE21 0.19 -0.00 0.03 -0.04 6.97 7.15 3ghgK1 GLN 421 HE22 0.20 -0.02 0.05 -0.04 7.69 7.87 3ghgK1 TYR 422 H 0.04 0.45 0.24 -0.55 8.29 8.48 3ghgK1 TYR 422 HA -0.21 0.07 0.50 -0.75 4.56 4.17 3ghgK1 TYR 422 HB2 -0.66 -0.08 0.04 -0.04 3.06 2.32 3ghgK1 TYR 422 HB3 -0.40 0.10 -0.40 -0.04 2.98 2.24 3ghgK1 TYR 422 HD2 -0.25 0.05 -0.18 -0.04 7.15 6.72 3ghgK1 TYR 422 HE2 0.13 -0.05 -0.26 -0.04 6.85 6.63 3ghgK1 THR 423 H -0.13 0.18 0.13 -0.55 8.28 7.90 3ghgK1 THR 423 HA -0.67 0.26 0.91 -0.75 4.39 4.14 3ghgK1 THR 423 HB -0.37 -0.08 0.10 -0.04 4.32 3.92 3ghgK1 THR 423 HG23 -0.22 0.03 -0.25 -0.04 1.22 0.74 3ghgK1 TRP 424 H -0.66 0.18 0.14 -0.55 7.97 7.09 3ghgK1 TRP 424 HA -0.11 0.19 0.26 -0.75 4.62 4.21 3ghgK1 TRP 424 HB2 -0.09 0.15 0.11 -0.04 3.23 3.35 3ghgK1 TRP 424 HB3 -0.69 -0.03 0.15 -0.04 3.23 2.62 3ghgK1 TRP 424 HD1 -0.38 -0.02 0.07 -0.04 7.22 6.85 3ghgK1 TRP 424 HE1 -0.15 0.02 -0.00 -0.04 10.20 10.03 3ghgK1 TRP 424 HE3 0.00 0.05 -0.16 -0.04 7.59 7.44 3ghgK1 TRP 424 HZ2 -0.06 -0.00 -0.02 -0.04 7.44 7.31 3ghgK1 TRP 424 HZ3 -0.00 0.02 -0.08 -0.04 7.13 7.03 3ghgK1 TRP 424 HH2 -0.03 0.00 -0.04 -0.04 7.19 7.09 3ghgK1 ASP 425 H -1.33 -0.00 -0.29 -0.55 8.40 6.23 3ghgK1 ASP 425 HA -1.77 0.11 0.27 -0.75 4.63 2.48 3ghgK1 ASP 425 HB2 -0.71 0.05 0.04 -0.04 2.71 2.05 3ghgK1 ASP 425 HB3 -1.60 -0.01 0.05 -0.04 2.70 1.10 3ghgK1 MET 426 H -0.28 0.35 -0.50 -0.55 8.47 7.49 3ghgK1 MET 426 HA -0.12 0.15 0.71 -0.75 4.52 4.50 3ghgK1 MET 426 HB2 -0.07 0.02 -0.02 -0.04 2.15 2.03 3ghgK1 MET 426 HB3 -0.03 -0.01 0.00 -0.04 2.03 1.95 3ghgK1 MET 426 HG2 -0.19 0.02 -0.18 -0.04 2.63 2.25 3ghgK1 MET 426 HG3 -0.22 -0.05 -0.02 -0.04 2.56 2.22 3ghgK1 MET 426 HE3 -0.06 0.01 -0.04 -0.04 2.10 1.98 3ghgK1 ALA 427 H 0.13 0.21 -0.01 -0.55 8.40 8.18 3ghgK1 ALA 427 HA 0.32 -0.03 0.40 -0.75 4.34 4.28 3ghgK1 ALA 427 HB3 0.36 0.03 -0.05 -0.04 1.41 1.70 3ghgK1 LYS 428 H 0.20 0.10 0.20 -0.55 8.42 8.36 3ghgK1 LYS 428 HA 0.00 0.16 0.39 -0.75 4.32 4.12 3ghgK1 LYS 428 HB2 0.07 0.01 0.15 -0.04 1.87 2.07 3ghgK1 LYS 428 HB3 0.18 -0.02 0.13 -0.04 1.79 2.04 3ghgK1 LYS 428 HG2 -0.39 0.00 -0.16 -0.04 1.46 0.87 3ghgK1 LYS 428 HG3 -0.10 0.01 0.09 -0.04 1.46 1.42 3ghgK1 LYS 428 HD2 0.09 0.01 0.01 -0.04 1.69 1.76 3ghgK1 LYS 428 HD3 -0.00 -0.02 -0.01 -0.04 1.68 1.61 3ghgK1 LYS 428 HE2 -0.02 -0.01 0.02 -0.04 2.99 2.94 3ghgK1 LYS 428 HE3 0.01 0.02 0.04 -0.04 2.99 3.02 3ghgK1 HIS 429 H 0.27 0.03 -0.22 -0.55 8.41 7.95 3ghgK1 HIS 429 HA 0.10 0.25 0.82 -0.75 4.63 5.05 3ghgK1 HIS 429 HB2 0.11 -0.02 0.08 -0.04 3.26 3.39 3ghgK1 HIS 429 HB3 0.11 -0.02 0.15 -0.04 3.20 3.41 3ghgK1 HIS 429 HD2 0.05 -0.02 -0.06 -0.04 6.97 6.90 3ghgK1 HIS 429 HE1 0.00 -0.05 -0.04 -0.04 7.75 7.62 3ghgK1 GLY 430 H 0.21 0.32 -0.49 -0.55 8.43 7.93 3ghgK1 GLY 430 HA2 0.33 0.25 0.32 -0.51 4.01 4.40 3ghgK1 GLY 430 HA3 0.31 0.08 0.43 -0.51 4.01 4.32 3ghgK1 THR 431 H 0.26 0.06 -0.62 -0.55 8.28 7.44 3ghgK1 THR 431 HA 0.26 0.13 0.33 -0.75 4.39 4.35 3ghgK1 THR 431 HB 0.04 -0.07 0.00 -0.04 4.32 4.25 3ghgK1 THR 431 HG23 0.13 0.06 -0.07 -0.04 1.22 1.30 3ghgK1 ASP 432 H -0.11 0.09 0.01 -0.55 8.40 7.85 3ghgK1 ASP 432 HA -0.09 0.21 0.53 -0.75 4.63 4.52 3ghgK1 ASP 432 HB2 -0.33 0.24 0.12 -0.04 2.71 2.69 3ghgK1 ASP 432 HB3 -1.23 -0.07 0.01 -0.04 2.70 1.37 3ghgK1 ASP 433 H 0.24 0.35 -0.32 -0.55 8.40 8.12 3ghgK1 ASP 433 HA 0.08 0.19 0.72 -0.75 4.63 4.86 3ghgK1 ASP 433 HB2 0.10 0.00 0.03 -0.04 2.71 2.81 3ghgK1 ASP 433 HB3 0.15 0.18 0.08 -0.04 2.70 3.07 3ghgK1 GLY 434 H -0.01 0.08 0.25 -0.55 8.43 8.21 3ghgK1 GLY 434 HA2 -0.15 0.31 0.37 -0.51 4.01 4.02 3ghgK1 GLY 434 HA3 -0.08 0.13 0.79 -0.51 4.01 4.35 3ghgK1 VAL 435 H -0.06 0.09 0.10 -0.55 8.24 7.82 3ghgK1 VAL 435 HA -0.07 0.30 0.12 -0.75 4.13 3.72 3ghgK1 VAL 435 HB 0.01 -0.11 0.24 -0.04 2.12 2.22 3ghgK1 VAL 435 HG13 0.04 -0.02 -0.16 -0.04 0.97 0.79 3ghgK1 VAL 435 HG23 -0.03 0.10 -0.26 -0.04 0.95 0.72 3ghgK1 VAL 436 H -0.01 0.27 0.19 -0.55 8.24 8.14 3ghgK1 VAL 436 HA 0.27 0.34 1.10 -0.75 4.13 5.09 3ghgK1 VAL 436 HB 0.15 -0.14 -0.20 -0.04 2.12 1.89 3ghgK1 VAL 436 HG13 0.22 0.03 -0.35 -0.04 0.97 0.82 3ghgK1 VAL 436 HG23 0.25 0.21 -0.57 -0.04 0.95 0.81 3ghgK1 TRP 437 H 0.42 0.29 -0.06 -0.55 7.97 8.08 3ghgK1 TRP 437 HA 0.12 0.16 0.81 -0.75 4.62 4.96 3ghgK1 TRP 437 HB2 0.15 0.08 -0.08 -0.04 3.23 3.34 3ghgK1 TRP 437 HB3 0.29 -0.04 0.20 -0.04 3.23 3.63 3ghgK1 TRP 437 HD1 0.18 0.07 -0.08 -0.04 7.22 7.35 3ghgK1 TRP 437 HE1 0.07 0.34 -0.34 -0.04 10.20 10.23 3ghgK1 TRP 437 HE3 0.03 0.04 -0.11 -0.04 7.59 7.51 3ghgK1 TRP 437 HZ2 0.16 -0.07 -0.03 -0.04 7.44 7.47 3ghgK1 TRP 437 HZ3 0.10 0.06 -0.10 -0.04 7.13 7.14 3ghgK1 TRP 437 HH2 0.15 0.01 -0.07 -0.04 7.19 7.24 3ghgK1 MET 438 H 0.04 0.46 -0.05 -0.55 8.47 8.37 3ghgK1 MET 438 HA 0.06 -0.12 0.19 -0.75 4.52 3.90 3ghgK1 MET 438 HB2 -0.08 0.18 0.18 -0.04 2.15 2.40 3ghgK1 MET 438 HB3 -0.05 -0.05 0.04 -0.04 2.03 1.93 3ghgK1 MET 438 HG2 -0.10 -0.18 0.02 -0.04 2.63 2.34 3ghgK1 MET 438 HG3 0.01 0.06 -0.11 -0.04 2.56 2.47 3ghgK1 MET 438 HE3 -0.15 -0.03 0.06 -0.04 2.10 1.94 3ghgK1 ASN 439 H -0.07 0.10 -0.58 -0.55 8.53 7.43 3ghgK1 ASN 439 HA 0.08 -0.01 0.36 -0.75 4.76 4.44 3ghgK1 ASN 439 HB2 0.12 0.12 -0.08 -0.04 2.88 2.99 3ghgK1 ASN 439 HB3 0.14 0.01 0.04 -0.04 2.79 2.94 3ghgK1 ASN 439 HD21 -0.11 0.28 -0.48 -0.04 7.03 6.68 3ghgK1 ASN 439 HD22 -0.02 -0.08 -0.38 -0.04 7.74 7.22 3ghgK1 TRP 440 H 0.51 0.93 0.00 -0.55 7.97 8.87 3ghgK1 TRP 440 HA 0.12 0.24 1.05 -0.75 4.62 5.27 3ghgK1 TRP 440 HB2 0.28 0.09 0.10 -0.04 3.23 3.66 3ghgK1 TRP 440 HB3 0.20 -0.08 0.10 -0.04 3.23 3.42 3ghgK1 TRP 440 HD1 0.05 0.09 0.14 -0.04 7.22 7.46 3ghgK1 TRP 440 HE1 -0.02 -0.01 -0.01 -0.04 10.20 10.12 3ghgK1 TRP 440 HE3 0.03 0.00 -0.13 -0.04 7.59 7.46 3ghgK1 TRP 440 HZ2 -0.05 -0.03 -0.13 -0.04 7.44 7.19 3ghgK1 TRP 440 HZ3 -0.00 -0.04 -0.23 -0.04 7.13 6.82 3ghgK1 TRP 440 HH2 -0.04 -0.14 -0.10 -0.04 7.19 6.86 3ghgK1 LYS 441 H 0.22 0.10 0.01 -0.55 8.42 8.19 3ghgK1 LYS 441 HA -0.30 0.24 0.92 -0.75 4.32 4.42 3ghgK1 LYS 441 HB2 0.03 -0.03 -0.07 -0.04 1.87 1.76 3ghgK1 LYS 441 HB3 -0.35 0.04 0.01 -0.04 1.79 1.45 3ghgK1 LYS 441 HG2 -1.30 -0.05 -0.47 -0.04 1.46 -0.39 3ghgK1 LYS 441 HG3 -0.89 -0.04 -0.14 -0.04 1.46 0.35 3ghgK1 LYS 441 HD2 -1.27 0.00 -0.01 -0.04 1.69 0.38 3ghgK1 LYS 441 HD3 -0.90 0.13 0.01 -0.04 1.68 0.88 3ghgK1 LYS 441 HE2 -2.08 0.02 -0.06 -0.04 2.99 0.83 3ghgK1 LYS 441 HE3 -1.34 -0.11 -0.03 -0.04 2.99 1.47 3ghgK1 GLY 442 H 0.08 0.07 0.01 -0.55 8.43 8.05 3ghgK1 GLY 442 HA2 0.00 0.02 0.42 -0.51 4.01 3.94 3ghgK1 GLY 442 HA3 0.04 0.17 0.54 -0.51 4.01 4.25 3ghgK1 SER 443 H -0.18 0.15 0.11 -0.55 8.46 8.00 3ghgK1 SER 443 HA -0.18 0.01 0.20 -0.75 4.49 3.76 3ghgK1 SER 443 HB2 -0.74 -0.02 0.10 -0.04 3.95 3.25 3ghgK1 SER 443 HB3 -1.66 0.05 -0.12 -0.04 3.93 2.16 3ghgK1 TRP 444 H -0.08 0.04 -0.77 -0.55 7.97 6.61 3ghgK1 TRP 444 HA -0.98 0.14 0.50 -0.75 4.62 3.54 3ghgK1 TRP 444 HB2 -0.13 -0.02 0.12 -0.04 3.23 3.16 3ghgK1 TRP 444 HB3 -0.36 0.39 0.29 -0.04 3.23 3.51 3ghgK1 TRP 444 HD1 -0.07 0.02 -0.02 -0.04 7.22 7.12 3ghgK1 TRP 444 HE1 -0.05 0.00 -0.02 -0.04 10.20 10.09 3ghgK1 TRP 444 HE3 -1.00 0.12 -0.35 -0.04 7.59 6.32 3ghgK1 TRP 444 HZ2 0.01 0.00 -0.03 -0.04 7.44 7.38 3ghgK1 TRP 444 HZ3 -0.01 0.12 -0.41 -0.04 7.13 6.78 3ghgK1 TRP 444 HH2 0.13 0.26 -0.07 -0.04 7.19 7.46 3ghgK1 TYR 445 H 0.33 0.27 -0.54 -0.55 8.29 7.80 3ghgK1 TYR 445 HA 0.26 0.21 0.53 -0.75 4.56 4.81 3ghgK1 TYR 445 HB2 0.06 0.10 -0.22 -0.04 3.06 2.97 3ghgK1 TYR 445 HB3 0.09 -0.13 -0.08 -0.04 2.98 2.82 3ghgK1 TYR 445 HD2 0.08 -0.02 -0.25 -0.04 7.15 6.92 3ghgK1 TYR 445 HE2 0.09 -0.11 -0.01 -0.04 6.85 6.79 3ghgK1 SER 446 H 0.04 0.66 0.14 -0.55 8.46 8.76 3ghgK1 SER 446 HA 0.12 0.25 0.75 -0.75 4.49 4.85 3ghgK1 SER 446 HB2 -0.07 -0.13 0.16 -0.04 3.95 3.87 3ghgK1 SER 446 HB3 -0.07 0.10 0.19 -0.04 3.93 4.11 3ghgK1 MET 447 H 0.13 0.23 0.20 -0.55 8.47 8.48 3ghgK1 MET 447 HA 0.30 -0.01 0.60 -0.75 4.52 4.66 3ghgK1 MET 447 HB2 0.05 -0.01 -0.15 -0.04 2.15 2.01 3ghgK1 MET 447 HB3 0.11 0.07 0.09 -0.04 2.03 2.25 3ghgK1 MET 447 HG2 0.24 0.35 -0.03 -0.04 2.63 3.15 3ghgK1 MET 447 HG3 0.18 -0.06 -0.12 -0.04 2.56 2.52 3ghgK1 MET 447 HE3 0.51 0.05 -0.06 -0.04 2.10 2.56 3ghgK1 ARG 448 H -0.31 0.67 0.29 -0.55 8.46 8.56 3ghgK1 ARG 448 HA -1.08 0.13 0.80 -0.75 4.34 3.44 3ghgK1 ARG 448 HB2 -1.93 -0.13 -0.09 -0.04 1.90 -0.28 3ghgK1 ARG 448 HB3 -0.64 0.11 0.07 -0.04 1.80 1.31 3ghgK1 ARG 448 HG2 -0.62 0.06 -0.08 -0.04 1.67 0.99 3ghgK1 ARG 448 HG3 -1.70 -0.04 0.06 -0.04 1.67 -0.05 3ghgK1 ARG 448 HD2 -0.50 -0.02 -0.00 -0.04 3.22 2.66 3ghgK1 ARG 448 HD3 -0.88 -0.06 0.03 -0.04 3.22 2.27 3ghgK1 LYS 449 H -0.20 0.30 0.31 -0.55 8.42 8.28 3ghgK1 LYS 449 HA -0.14 0.34 0.85 -0.75 4.32 4.62 3ghgK1 LYS 449 HB2 -0.15 -0.16 0.07 -0.04 1.87 1.60 3ghgK1 LYS 449 HB3 -0.15 0.06 0.06 -0.04 1.79 1.72 3ghgK1 LYS 449 HG2 -0.22 -0.05 -0.14 -0.04 1.46 1.00 3ghgK1 LYS 449 HG3 -0.15 -0.04 -0.04 -0.04 1.46 1.19 3ghgK1 LYS 449 HD2 -0.15 -0.03 0.04 -0.04 1.69 1.50 3ghgK1 LYS 449 HD3 -0.19 0.22 0.14 -0.04 1.68 1.81 3ghgK1 LYS 449 HE2 -0.24 -0.07 -0.09 -0.04 2.99 2.55 3ghgK1 LYS 449 HE3 -0.14 -0.07 -0.04 -0.04 2.99 2.70 3ghgK1 MET 450 H -0.12 0.65 0.23 -0.55 8.47 8.68 3ghgK1 MET 450 HA -0.13 0.22 0.69 -0.75 4.52 4.54 3ghgK1 MET 450 HB2 -0.05 0.01 -0.09 -0.04 2.15 1.99 3ghgK1 MET 450 HB3 -0.08 -0.01 -0.00 -0.04 2.03 1.89 3ghgK1 MET 450 HG2 -0.06 -0.00 -0.13 -0.04 2.63 2.40 3ghgK1 MET 450 HG3 -0.06 0.05 -0.26 -0.04 2.56 2.24 3ghgK1 MET 450 HE3 0.11 -0.02 -0.24 -0.04 2.10 1.91 3ghgK1 SER 451 H -0.15 0.60 0.32 -0.55 8.46 8.68 3ghgK1 SER 451 HA -0.10 0.31 1.06 -0.75 4.49 5.01 3ghgK1 SER 451 HB2 -0.14 0.08 0.09 -0.04 3.95 3.95 3ghgK1 SER 451 HB3 -0.15 -0.01 -0.10 -0.04 3.93 3.63 3ghgK1 MET 452 H -0.03 0.66 0.42 -0.55 8.47 8.98 3ghgK1 MET 452 HA -0.06 0.28 0.96 -0.75 4.52 4.94 3ghgK1 MET 452 HB2 0.12 -0.09 0.16 -0.04 2.15 2.29 3ghgK1 MET 452 HB3 0.08 0.05 0.05 -0.04 2.03 2.17 3ghgK1 MET 452 HG2 0.13 0.01 -0.03 -0.04 2.63 2.70 3ghgK1 MET 452 HG3 0.13 -0.06 -0.33 -0.04 2.56 2.25 3ghgK1 MET 452 HE3 0.29 0.01 -0.09 -0.04 2.10 2.26 3ghgK1 LYS 453 H -0.06 0.53 0.34 -0.55 8.42 8.67 3ghgK1 LYS 453 HA 0.12 0.22 0.86 -0.75 4.32 4.76 3ghgK1 LYS 453 HB2 0.26 -0.06 -0.21 -0.04 1.87 1.82 3ghgK1 LYS 453 HB3 0.03 -0.00 -0.23 -0.04 1.79 1.54 3ghgK1 LYS 453 HG2 -0.33 0.21 0.05 -0.04 1.46 1.34 3ghgK1 LYS 453 HG3 -0.54 0.01 -0.16 -0.04 1.46 0.72 3ghgK1 LYS 453 HD2 -0.85 -0.02 -0.12 -0.04 1.69 0.66 3ghgK1 LYS 453 HD3 -0.08 -0.04 -0.12 -0.04 1.68 1.40 3ghgK1 LYS 453 HE2 -0.10 0.03 -0.16 -0.04 2.99 2.73 3ghgK1 LYS 453 HE3 -0.26 0.01 -0.15 -0.04 2.99 2.55 3ghgK1 ILE 454 H 0.31 0.44 0.35 -0.55 8.25 8.81 3ghgK1 ILE 454 HA 0.53 0.24 1.11 -0.75 4.18 5.31 3ghgK1 ILE 454 HB 0.21 0.11 0.12 -0.04 1.89 2.30 3ghgK1 ILE 454 HG12 0.14 0.01 0.06 -0.04 1.49 1.66 3ghgK1 ILE 454 HG13 0.08 0.01 -0.26 -0.04 1.21 1.00 3ghgK1 ILE 454 HG23 0.32 -0.01 -0.24 -0.04 0.93 0.95 3ghgK1 ILE 454 HD13 0.03 0.01 -0.10 -0.04 0.88 0.78 3ghgK1 ARG 455 H 0.11 0.50 0.30 -0.55 8.46 8.82 3ghgK1 ARG 455 HA -0.17 0.01 0.60 -0.75 4.34 4.03 3ghgK1 ARG 455 HB2 -1.16 -0.03 -0.50 -0.04 1.90 0.17 3ghgK1 ARG 455 HB3 -0.65 0.01 -0.09 -0.04 1.80 1.03 3ghgK1 ARG 455 HG2 -0.42 0.20 0.08 -0.04 1.67 1.49 3ghgK1 ARG 455 HG3 -0.48 -0.06 0.11 -0.04 1.67 1.20 3ghgK1 ARG 455 HD2 -0.60 0.01 0.03 -0.04 3.22 2.61 3ghgK1 ARG 455 HD3 -1.61 -0.03 -0.15 -0.04 3.22 1.39 3ghgK1 PRO 456 HA -0.20 0.31 0.83 -0.51 4.44 4.87 3ghgK1 PRO 456 HB2 -0.27 0.05 0.00 -0.04 2.28 2.03 3ghgK1 PRO 456 HB3 -0.20 0.02 0.10 -0.04 2.02 1.90 3ghgK1 PRO 456 HG2 -0.05 -0.07 0.06 -0.04 2.03 1.94 3ghgK1 PRO 456 HG3 -0.04 0.09 0.03 -0.04 2.03 2.08 3ghgK1 PRO 456 HD2 -0.17 0.05 0.25 -0.04 3.68 3.77 3ghgK1 PRO 456 HD3 -0.09 0.08 0.08 -0.04 3.65 3.68 3ghgK1 PHE 457 H -0.84 0.21 0.15 -0.55 8.34 7.31 3ghgK1 PHE 457 HA -0.33 0.17 0.51 -0.75 4.62 4.21 3ghgK1 PHE 457 HB2 -0.20 0.07 -0.12 -0.04 3.15 2.87 3ghgK1 PHE 457 HB3 -0.26 -0.06 0.17 -0.04 3.06 2.87 3ghgK1 PHE 457 HD2 -0.05 0.11 -0.04 -0.04 7.28 7.26 3ghgK1 PHE 457 HE2 -0.00 -0.01 -0.02 -0.04 7.38 7.30 3ghgK1 PHE 457 HZ -0.02 -0.04 0.01 -0.04 7.32 7.23 3ghgK1 PHE 458 H -0.63 0.04 0.04 -0.55 8.34 7.24 3ghgK1 PHE 458 HA -0.30 0.02 0.18 -0.75 4.62 3.76 3ghgK1 PHE 458 HB2 -0.04 0.13 0.15 -0.04 3.15 3.34 3ghgK1 PHE 458 HB3 -0.09 -0.03 0.02 -0.04 3.06 2.93 3ghgK1 PHE 458 HD2 -0.06 0.01 -0.07 -0.04 7.28 7.12 3ghgK1 PHE 458 HE2 0.01 0.01 0.01 -0.04 7.38 7.37 3ghgK1 PHE 458 HZ 0.01 0.07 0.02 -0.04 7.32 7.39