============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. PHE 8 1.000 84.589 76.025 45.559 -99.200 -91.000 PHE 28 1.000 69.217 70.591 36.673 -99.200 -91.000 TYR 41 0.840 80.563 82.545 21.496 -99.200 -91.000 TYR 43 0.840 80.867 74.914 30.701 -99.200 -91.000 PHE 49 1.000 77.546 72.573 38.769 -99.200 -91.000 TRP 50 1.040 83.100 78.945 40.166 -99.200 -91.000 TRP6 50 1.020 84.718 77.507 39.199 -99.200 -91.000 TYR 51 0.840 78.308 81.048 46.654 -99.200 -91.000 PHE 52 1.000 75.526 76.671 46.755 -99.200 -91.000 PHE 55 1.000 82.862 68.947 37.680 -99.200 -91.000 HIS 71 0.900 70.738 60.922 60.156 -99.200 -91.000 HIS 73 0.900 72.166 61.581 50.595 -99.200 -91.000 PHE 77 1.000 72.361 62.397 38.885 -99.200 -91.000 TRP 88 1.040 88.766 62.157 19.043 -99.200 -91.000 TRP6 88 1.020 88.723 63.353 17.001 -99.200 -91.000 PHE 89 1.000 85.431 66.290 21.132 -99.200 -91.000 PHE 110 1.000 73.609 65.410 32.096 -99.200 -91.000 TYR 118 0.840 62.241 57.313 38.797 -99.200 -91.000 TYR 128 0.840 64.526 74.111 49.172 -99.200 -91.000 HIS 129 0.900 64.505 73.566 38.524 -99.200 -91.000 TYR 134 0.840 71.434 77.328 32.532 -99.200 -91.000 TYR 136 0.840 70.639 71.522 31.081 -99.200 -91.000 TRP 165 1.040 68.338 76.430 43.752 -99.200 -91.000 TRP6 165 1.020 69.800 77.808 42.500 -99.200 -91.000 HIS 170 0.900 70.705 84.619 42.587 -99.200 -91.000 PHE 175 1.000 75.154 90.410 53.491 -99.200 -91.000 HIS 195 0.900 90.763 99.780 33.013 -99.200 -91.000 PHE 207 1.000 92.630 101.299 13.262 -99.200 -91.000 TYR 209 0.840 91.981 96.815 15.955 -99.200 -91.000 HIS 210 0.900 96.376 98.396 17.196 -99.200 -91.000 HIS 216 0.900 90.447 91.403 25.926 -99.200 -91.000 HIS 217 0.900 100.542 89.975 26.925 -99.200 -91.000 PHE 219 1.000 91.458 92.047 31.873 -99.200 -91.000 HIS 222 0.900 99.465 90.183 36.315 -99.200 -91.000 TYR 226 0.840 88.409 82.234 28.909 -99.200 -91.000 TYR 229 0.840 83.083 94.372 31.829 -99.200 -91.000 HIS 243 0.900 76.591 98.487 28.896 -99.200 -91.000 TYR 244 0.840 82.551 102.049 20.332 -99.200 -91.000 TYR 264 0.840 92.838 85.487 40.230 -99.200 -91.000 TYR 267 0.840 84.443 85.122 43.429 -99.200 -91.000 PHE 275 1.000 93.468 106.342 28.587 -99.200 -91.000 PHE 281 1.000 91.999 114.459 31.496 -99.200 -91.000 TYR 289 0.840 88.943 112.547 34.850 -99.200 -91.000 TYR 303 0.840 78.594 103.817 47.860 -99.200 -91.000 HIS 343 0.900 70.312 113.726 37.624 -99.200 -91.000 PHE 346 1.000 73.413 117.214 29.824 -99.200 -91.000 PHE 347 1.000 75.045 109.335 36.948 -99.200 -91.000 HIS 349 0.900 76.000 105.058 34.236 -99.200 -91.000 HIS 353 0.900 77.861 96.848 38.487 -99.200 -91.000 TRP 354 1.040 73.765 94.214 44.828 -99.200 -91.000 TRP6 354 1.020 74.240 95.604 46.674 -99.200 -91.000 HIS 360 0.900 76.056 94.999 34.997 -99.200 -91.000 TYR 365 0.840 71.234 96.233 42.848 -99.200 -91.000 TYR 386 0.840 78.224 108.681 30.206 -99.200 -91.000 TYR 397 0.840 81.732 122.549 28.515 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1w2mC1 SER 1 HA 0.07 -0.11 0.18 -0.75 4.49 3.88 1w2mC1 SER 1 HB2 0.14 0.03 -0.18 -0.04 3.95 3.90 1w2mC1 SER 1 HB3 0.05 -0.05 -0.11 -0.04 3.93 3.78 1w2mC1 GLU 2 H 0.04 0.15 0.13 -0.55 8.60 8.37 1w2mC1 GLU 2 HA 0.03 0.18 0.72 -0.75 4.29 4.46 1w2mC1 GLU 2 HB2 0.05 0.10 -0.22 -0.04 2.09 1.97 1w2mC1 GLU 2 HB3 0.04 -0.08 -0.10 -0.04 1.99 1.80 1w2mC1 GLU 2 HG2 0.07 0.17 -0.02 -0.04 2.34 2.53 1w2mC1 GLU 2 HG3 0.09 -0.05 0.17 -0.04 2.34 2.50 1w2mC1 ILE 3 H 0.06 0.22 0.14 -0.55 8.25 8.12 1w2mC1 ILE 3 HA -0.14 0.02 0.83 -0.75 4.18 4.14 1w2mC1 ILE 3 HB -0.12 0.05 0.12 -0.04 1.89 1.89 1w2mC1 ILE 3 HG12 0.14 0.04 0.00 -0.04 1.49 1.63 1w2mC1 ILE 3 HG13 0.12 0.06 -0.01 -0.04 1.21 1.34 1w2mC1 ILE 3 HG23 -0.81 0.03 -0.08 -0.04 0.93 0.03 1w2mC1 ILE 3 HD13 -0.12 0.00 -0.24 -0.04 0.88 0.49 1w2mC1 SER 4 H -0.15 0.07 0.15 -0.55 8.46 7.98 1w2mC1 SER 4 HA -0.01 0.20 0.47 -0.75 4.49 4.39 1w2mC1 SER 4 HB2 -0.03 -0.01 0.16 -0.04 3.95 4.03 1w2mC1 SER 4 HB3 -0.05 0.13 0.11 -0.04 3.93 4.08 1w2mC1 ARG 5 H 0.03 0.21 0.19 -0.55 8.46 8.33 1w2mC1 ARG 5 HA 0.24 0.19 0.50 -0.75 4.34 4.52 1w2mC1 ARG 5 HB2 0.02 -0.08 0.12 -0.04 1.90 1.93 1w2mC1 ARG 5 HB3 0.02 0.10 0.01 -0.04 1.80 1.89 1w2mC1 ARG 5 HG2 0.02 0.21 0.09 -0.04 1.67 1.95 1w2mC1 ARG 5 HG3 0.08 -0.05 0.09 -0.04 1.67 1.75 1w2mC1 ARG 5 HD2 0.02 0.01 0.06 -0.04 3.22 3.27 1w2mC1 ARG 5 HD3 0.02 -0.10 0.07 -0.04 3.22 3.17 1w2mC1 GLN 6 H -0.02 0.03 -0.18 -0.55 8.47 7.75 1w2mC1 GLN 6 HA -0.02 0.16 0.44 -0.75 4.36 4.18 1w2mC1 GLN 6 HB2 -0.04 -0.06 0.06 -0.04 2.15 2.07 1w2mC1 GLN 6 HB3 -0.04 0.05 0.02 -0.04 2.02 2.01 1w2mC1 GLN 6 HG2 -0.02 0.03 0.03 -0.04 2.40 2.40 1w2mC1 GLN 6 HG3 -0.02 0.07 0.02 -0.04 2.39 2.42 1w2mC1 GLN 6 HE21 -0.01 0.03 0.01 -0.04 6.97 6.96 1w2mC1 GLN 6 HE22 -0.01 0.05 -0.01 -0.04 7.69 7.68 1w2mC1 GLU 7 H -0.14 0.09 -0.36 -0.55 8.60 7.64 1w2mC1 GLU 7 HA -0.15 0.05 0.46 -0.75 4.29 3.90 1w2mC1 GLU 7 HB2 -0.20 -0.09 0.11 -0.04 2.09 1.87 1w2mC1 GLU 7 HB3 -0.42 0.19 0.11 -0.04 1.99 1.84 1w2mC1 GLU 7 HG2 -0.46 0.08 -0.10 -0.04 2.34 1.82 1w2mC1 GLU 7 HG3 -0.29 0.01 -0.05 -0.04 2.34 1.97 1w2mC1 PHE 8 H -0.26 0.35 -0.14 -0.55 8.34 7.73 1w2mC1 PHE 8 HA -0.25 0.09 0.41 -0.75 4.62 4.12 1w2mC1 PHE 8 HB2 -0.15 0.09 0.07 -0.04 3.15 3.12 1w2mC1 PHE 8 HB3 -0.19 0.13 -0.15 -0.04 3.06 2.82 1w2mC1 PHE 8 HD2 -0.26 0.06 -0.17 -0.04 7.28 6.88 1w2mC1 PHE 8 HE2 -0.36 0.06 -0.10 -0.04 7.38 6.94 1w2mC1 PHE 8 HZ -0.41 -0.03 -0.03 -0.04 7.32 6.81 1w2mC1 GLN 9 H 0.02 0.35 -0.31 -0.55 8.47 7.98 1w2mC1 GLN 9 HA -0.01 0.08 0.46 -0.75 4.36 4.13 1w2mC1 GLN 9 HB2 -0.01 0.10 0.14 -0.04 2.15 2.34 1w2mC1 GLN 9 HB3 -0.02 0.05 0.17 -0.04 2.02 2.18 1w2mC1 GLN 9 HG2 -0.02 -0.03 0.02 -0.04 2.40 2.32 1w2mC1 GLN 9 HG3 -0.03 -0.05 -0.14 -0.04 2.39 2.14 1w2mC1 GLN 9 HE21 -0.03 -0.01 0.02 -0.04 6.97 6.90 1w2mC1 GLN 9 HE22 -0.03 -0.05 0.01 -0.04 7.69 7.58 1w2mC1 ARG 10 H -0.06 0.44 -0.11 -0.55 8.46 8.18 1w2mC1 ARG 10 HA -0.03 -0.00 0.45 -0.75 4.34 4.00 1w2mC1 ARG 10 HB2 -0.08 0.10 0.26 -0.04 1.90 2.14 1w2mC1 ARG 10 HB3 -0.08 0.04 0.03 -0.04 1.80 1.74 1w2mC1 ARG 10 HG2 -0.04 -0.01 0.01 -0.04 1.67 1.59 1w2mC1 ARG 10 HG3 -0.04 -0.02 0.08 -0.04 1.67 1.65 1w2mC1 ARG 10 HD2 -0.04 -0.02 0.01 -0.04 3.22 3.12 1w2mC1 ARG 10 HD3 -0.05 0.02 -0.01 -0.04 3.22 3.14 1w2mC1 ARG 11 H -0.09 0.52 -0.21 -0.55 8.46 8.12 1w2mC1 ARG 11 HA -0.02 0.00 0.41 -0.75 4.34 3.98 1w2mC1 ARG 11 HB2 -0.18 0.25 0.20 -0.04 1.90 2.13 1w2mC1 ARG 11 HB3 -0.43 -0.08 -0.05 -0.04 1.80 1.20 1w2mC1 ARG 11 HG2 -0.43 -0.07 0.01 -0.04 1.67 1.14 1w2mC1 ARG 11 HG3 -0.31 0.07 0.06 -0.04 1.67 1.45 1w2mC1 ARG 11 HD2 -0.61 0.11 0.04 -0.04 3.22 2.71 1w2mC1 ARG 11 HD3 -2.00 -0.03 -0.02 -0.04 3.22 1.14 1w2mC1 ARG 12 H 0.08 0.55 -0.05 -0.55 8.46 8.50 1w2mC1 ARG 12 HA -0.05 -0.04 0.47 -0.75 4.34 3.97 1w2mC1 ARG 12 HB2 -0.02 0.15 0.20 -0.04 1.90 2.19 1w2mC1 ARG 12 HB3 -0.09 -0.10 0.03 -0.04 1.80 1.60 1w2mC1 ARG 12 HG2 -0.02 -0.15 0.08 -0.04 1.67 1.53 1w2mC1 ARG 12 HG3 0.10 0.31 0.16 -0.04 1.67 2.20 1w2mC1 ARG 12 HD2 -0.12 -0.16 -0.01 -0.04 3.22 2.88 1w2mC1 ARG 12 HD3 -0.09 0.12 0.04 -0.04 3.22 3.25 1w2mC1 GLN 13 H -0.01 0.56 -0.18 -0.55 8.47 8.29 1w2mC1 GLN 13 HA -0.04 -0.00 0.35 -0.75 4.36 3.91 1w2mC1 GLN 13 HB2 -0.02 0.13 0.17 -0.04 2.15 2.39 1w2mC1 GLN 13 HB3 -0.02 -0.03 -0.04 -0.04 2.02 1.88 1w2mC1 GLN 13 HG2 -0.03 0.04 0.02 -0.04 2.40 2.39 1w2mC1 GLN 13 HG3 -0.03 -0.03 0.00 -0.04 2.39 2.29 1w2mC1 GLN 13 HE21 -0.03 0.01 -0.04 -0.04 6.97 6.87 1w2mC1 GLN 13 HE22 -0.03 0.00 -0.03 -0.04 7.69 7.59 1w2mC1 ALA 14 H 0.02 0.48 -0.22 -0.55 8.40 8.13 1w2mC1 ALA 14 HA -0.00 0.03 0.45 -0.75 4.34 4.05 1w2mC1 ALA 14 HB3 0.03 0.02 0.10 -0.04 1.41 1.52 1w2mC1 LEU 15 H 0.04 0.47 -0.21 -0.55 8.37 8.12 1w2mC1 LEU 15 HA -0.02 0.02 0.51 -0.75 4.35 4.11 1w2mC1 LEU 15 HB2 0.01 0.01 0.07 -0.04 1.64 1.69 1w2mC1 LEU 15 HB3 -0.24 0.15 0.14 -0.04 1.64 1.66 1w2mC1 LEU 15 HG -0.31 0.01 -0.26 -0.04 1.64 1.04 1w2mC1 LEU 15 HD13 -0.10 -0.03 -0.03 -0.04 0.93 0.74 1w2mC1 LEU 15 HD23 -0.77 -0.02 -0.07 -0.04 0.89 -0.01 1w2mC1 VAL 16 H -0.10 0.58 -0.05 -0.55 8.24 8.13 1w2mC1 VAL 16 HA -0.12 -0.04 0.33 -0.75 4.13 3.55 1w2mC1 VAL 16 HB -0.06 0.11 0.12 -0.04 2.12 2.25 1w2mC1 VAL 16 HG13 -0.04 -0.01 -0.20 -0.04 0.97 0.69 1w2mC1 VAL 16 HG23 -0.11 0.02 -0.06 -0.04 0.95 0.77 1w2mC1 GLU 17 H -0.04 0.46 -0.32 -0.55 8.60 8.16 1w2mC1 GLU 17 HA -0.02 0.03 0.35 -0.75 4.29 3.90 1w2mC1 GLU 17 HB2 -0.02 0.17 0.16 -0.04 2.09 2.35 1w2mC1 GLU 17 HB3 -0.02 0.06 0.00 -0.04 1.99 2.00 1w2mC1 GLU 17 HG2 -0.01 -0.06 -0.00 -0.04 2.34 2.22 1w2mC1 GLU 17 HG3 -0.01 -0.01 0.04 -0.04 2.34 2.32 1w2mC1 GLN 18 H -0.04 0.27 -0.41 -0.55 8.47 7.75 1w2mC1 GLN 18 HA -0.00 0.08 0.63 -0.75 4.36 4.32 1w2mC1 GLN 18 HB2 -0.04 0.09 0.08 -0.04 2.15 2.24 1w2mC1 GLN 18 HB3 -0.01 -0.13 0.06 -0.04 2.02 1.90 1w2mC1 GLN 18 HG2 -0.00 -0.01 -0.08 -0.04 2.40 2.26 1w2mC1 GLN 18 HG3 0.00 0.15 0.05 -0.04 2.39 2.55 1w2mC1 GLN 18 HE21 0.02 -0.06 -0.02 -0.04 6.97 6.87 1w2mC1 GLN 18 HE22 0.03 0.04 -0.03 -0.04 7.69 7.69 1w2mC1 MET 19 H -0.08 0.32 -0.37 -0.55 8.47 7.80 1w2mC1 MET 19 HA -0.06 -0.08 0.47 -0.75 4.52 4.10 1w2mC1 MET 19 HB2 -0.07 0.17 0.04 -0.04 2.15 2.25 1w2mC1 MET 19 HB3 0.04 0.01 -0.06 -0.04 2.03 1.99 1w2mC1 MET 19 HG2 -0.97 -0.13 -0.10 -0.04 2.63 1.40 1w2mC1 MET 19 HG3 -0.36 0.18 -0.10 -0.04 2.56 2.25 1w2mC1 MET 19 HE3 0.01 0.04 -0.20 -0.04 2.10 1.92 1w2mC1 GLN 20 H 0.31 -0.03 0.06 -0.55 8.47 8.27 1w2mC1 GLN 20 HA 0.08 0.12 0.53 -0.75 4.36 4.33 1w2mC1 GLN 20 HB2 0.14 -0.10 0.01 -0.04 2.15 2.15 1w2mC1 GLN 20 HB3 0.07 0.15 0.00 -0.04 2.02 2.20 1w2mC1 GLN 20 HG2 0.07 0.03 0.01 -0.04 2.40 2.47 1w2mC1 GLN 20 HG3 0.15 -0.03 -0.00 -0.04 2.39 2.46 1w2mC1 GLN 20 HE21 0.01 -0.03 -0.04 -0.04 6.97 6.87 1w2mC1 GLN 20 HE22 0.08 -0.01 -0.03 -0.04 7.69 7.69 1w2mC1 PRO 21 HA 0.05 0.10 0.35 -0.51 4.44 4.42 1w2mC1 PRO 21 HB2 0.04 0.06 -0.03 -0.04 2.28 2.31 1w2mC1 PRO 21 HB3 0.04 -0.14 0.01 -0.04 2.02 1.88 1w2mC1 PRO 21 HG2 0.03 0.02 0.06 -0.04 2.03 2.10 1w2mC1 PRO 21 HG3 0.03 -0.01 0.06 -0.04 2.03 2.07 1w2mC1 PRO 21 HD2 0.05 0.03 0.21 -0.04 3.68 3.93 1w2mC1 PRO 21 HD3 0.04 0.21 0.10 -0.04 3.65 3.96 1w2mC1 GLY 22 H 0.05 0.28 -0.01 -0.55 8.43 8.20 1w2mC1 GLY 22 HA2 0.04 0.06 0.47 -0.51 4.01 4.07 1w2mC1 GLY 22 HA3 0.03 -0.04 0.62 -0.51 4.01 4.12 1w2mC1 SER 23 H 0.06 0.56 0.25 -0.55 8.46 8.78 1w2mC1 SER 23 HA 0.07 0.18 0.91 -0.75 4.49 4.89 1w2mC1 SER 23 HB2 0.21 -0.08 0.05 -0.04 3.95 4.10 1w2mC1 SER 23 HB3 0.13 0.03 -0.37 -0.04 3.93 3.68 1w2mC1 ALA 24 H 0.14 0.49 0.37 -0.55 8.40 8.85 1w2mC1 ALA 24 HA 0.05 0.35 0.94 -0.75 4.34 4.93 1w2mC1 ALA 24 HB3 0.05 -0.00 -0.02 -0.04 1.41 1.39 1w2mC1 ALA 25 H 0.02 0.63 0.37 -0.55 8.40 8.87 1w2mC1 ALA 25 HA 0.32 0.11 1.10 -0.75 4.34 5.12 1w2mC1 ALA 25 HB3 -0.15 -0.01 0.06 -0.04 1.41 1.28 1w2mC1 LEU 26 H 0.40 0.61 0.35 -0.55 8.37 9.19 1w2mC1 LEU 26 HA 0.07 0.29 0.96 -0.75 4.35 4.91 1w2mC1 LEU 26 HB2 0.52 -0.06 0.21 -0.04 1.64 2.27 1w2mC1 LEU 26 HB3 0.21 -0.07 -0.01 -0.04 1.64 1.73 1w2mC1 LEU 26 HG 0.21 0.09 -0.11 -0.04 1.64 1.79 1w2mC1 LEU 26 HD13 0.13 -0.02 -0.08 -0.04 0.93 0.92 1w2mC1 LEU 26 HD23 0.07 0.03 -0.23 -0.04 0.89 0.72 1w2mC1 ILE 27 H 0.04 0.69 0.31 -0.55 8.25 8.74 1w2mC1 ILE 27 HA 0.57 0.06 0.98 -0.75 4.18 5.04 1w2mC1 ILE 27 HB -0.01 0.02 0.13 -0.04 1.89 1.99 1w2mC1 ILE 27 HG12 -1.09 -0.04 -0.16 -0.04 1.49 0.15 1w2mC1 ILE 27 HG13 -0.34 -0.08 -0.74 -0.04 1.21 0.00 1w2mC1 ILE 27 HG23 0.26 0.01 -0.21 -0.04 0.93 0.95 1w2mC1 ILE 27 HD13 -0.73 0.03 -0.14 -0.04 0.88 -0.01 1w2mC1 PHE 28 H 0.80 0.13 0.16 -0.55 8.34 8.87 1w2mC1 PHE 28 HA 0.34 0.18 0.85 -0.75 4.62 5.24 1w2mC1 PHE 28 HB2 0.35 -0.07 0.11 -0.04 3.15 3.50 1w2mC1 PHE 28 HB3 0.29 0.14 0.02 -0.04 3.06 3.47 1w2mC1 PHE 28 HD2 0.29 0.01 -0.07 -0.04 7.28 7.47 1w2mC1 PHE 28 HE2 0.10 0.03 -0.08 -0.04 7.38 7.39 1w2mC1 PHE 28 HZ -0.04 0.03 -0.08 -0.04 7.32 7.20 1w2mC1 ALA 29 H 0.04 0.59 0.35 -0.55 8.40 8.83 1w2mC1 ALA 29 HA -0.35 -0.02 0.54 -0.75 4.34 3.76 1w2mC1 ALA 29 HB3 -0.41 -0.01 0.16 -0.04 1.41 1.11 1w2mC1 ALA 30 H 0.05 -0.05 0.24 -0.55 8.40 8.10 1w2mC1 ALA 30 HA -0.48 0.08 0.62 -0.75 4.34 3.81 1w2mC1 ALA 30 HB3 -0.07 0.02 0.12 -0.04 1.41 1.44 1w2mC1 PRO 31 HA -0.26 -0.03 0.67 -0.51 4.44 4.31 1w2mC1 PRO 31 HB2 -0.16 0.26 -0.01 -0.04 2.28 2.34 1w2mC1 PRO 31 HB3 -0.35 -0.08 0.13 -0.04 2.02 1.69 1w2mC1 PRO 31 HG2 -0.14 0.10 0.05 -0.04 2.03 1.99 1w2mC1 PRO 31 HG3 -0.19 -0.08 0.11 -0.04 2.03 1.83 1w2mC1 PRO 31 HD2 -0.57 0.12 0.24 -0.04 3.68 3.43 1w2mC1 PRO 31 HD3 -1.09 0.09 0.23 -0.04 3.65 2.84 1w2mC1 GLU 32 H -0.13 0.02 0.15 -0.55 8.60 8.10 1w2mC1 GLU 32 HA 0.12 0.12 0.65 -0.75 4.29 4.42 1w2mC1 GLU 32 HB2 -0.12 -0.06 0.04 -0.04 2.09 1.92 1w2mC1 GLU 32 HB3 -0.06 0.08 -0.03 -0.04 1.99 1.94 1w2mC1 GLU 32 HG2 -0.17 0.07 0.04 -0.04 2.34 2.23 1w2mC1 GLU 32 HG3 -0.24 -0.11 0.09 -0.04 2.34 2.04 1w2mC1 VAL 33 H 0.05 0.25 0.10 -0.55 8.24 8.09 1w2mC1 VAL 33 HA 0.00 0.12 0.92 -0.75 4.13 4.41 1w2mC1 VAL 33 HB 0.07 0.09 -0.03 -0.04 2.12 2.21 1w2mC1 VAL 33 HG13 -0.01 0.03 -0.19 -0.04 0.97 0.76 1w2mC1 VAL 33 HG23 0.06 -0.02 -0.00 -0.04 0.95 0.95 1w2mC1 THR 34 H 0.02 0.10 0.10 -0.55 8.28 7.96 1w2mC1 THR 34 HA -0.03 0.13 0.53 -0.75 4.39 4.27 1w2mC1 THR 34 HB 0.01 -0.04 0.08 -0.04 4.32 4.32 1w2mC1 THR 34 HG23 -0.04 0.04 -0.26 -0.04 1.22 0.93 1w2mC1 ARG 35 H -0.16 0.55 0.31 -0.55 8.46 8.60 1w2mC1 ARG 35 HA -0.39 0.17 0.81 -0.75 4.34 4.17 1w2mC1 ARG 35 HB2 -1.39 -0.02 -0.13 -0.04 1.90 0.32 1w2mC1 ARG 35 HB3 -0.41 -0.01 -0.25 -0.04 1.80 1.09 1w2mC1 ARG 35 HG2 -0.32 -0.01 -0.29 -0.04 1.67 1.01 1w2mC1 ARG 35 HG3 -0.66 -0.00 -0.04 -0.04 1.67 0.93 1w2mC1 ARG 35 HD2 -0.76 0.00 -0.09 -0.04 3.22 2.34 1w2mC1 ARG 35 HD3 -0.29 0.01 -0.13 -0.04 3.22 2.77 1w2mC1 SER 36 H -0.14 0.37 0.04 -0.55 8.46 8.18 1w2mC1 SER 36 HA -0.05 0.08 0.38 -0.75 4.49 4.14 1w2mC1 SER 36 HB2 -0.07 0.16 -0.01 -0.04 3.95 3.99 1w2mC1 SER 36 HB3 -0.08 -0.05 -0.01 -0.04 3.93 3.75 1w2mC1 ALA 37 H -0.03 0.15 0.07 -0.55 8.40 8.04 1w2mC1 ALA 37 HA -0.03 0.05 0.36 -0.75 4.34 3.96 1w2mC1 ALA 37 HB3 -0.02 0.05 0.07 -0.04 1.41 1.47 1w2mC1 ASP 38 H -0.03 0.12 0.25 -0.55 8.40 8.20 1w2mC1 ASP 38 HA -0.04 0.14 0.55 -0.75 4.63 4.52 1w2mC1 ASP 38 HB2 -0.02 0.01 0.14 -0.04 2.71 2.80 1w2mC1 ASP 38 HB3 -0.02 -0.04 0.06 -0.04 2.70 2.66 1w2mC1 SER 39 H -0.05 0.45 -0.05 -0.55 8.46 8.27 1w2mC1 SER 39 HA -0.04 0.17 0.87 -0.75 4.49 4.74 1w2mC1 SER 39 HB2 -0.06 0.07 0.10 -0.04 3.95 4.02 1w2mC1 SER 39 HB3 -0.04 -0.03 0.07 -0.04 3.93 3.90 1w2mC1 GLU 40 H -0.06 0.25 0.18 -0.55 8.60 8.42 1w2mC1 GLU 40 HA -0.08 -0.02 1.02 -0.75 4.29 4.46 1w2mC1 GLU 40 HB2 -0.05 -0.03 0.03 -0.04 2.09 2.01 1w2mC1 GLU 40 HB3 -0.00 0.19 -0.02 -0.04 1.99 2.12 1w2mC1 GLU 40 HG2 -0.05 -0.10 -0.26 -0.04 2.34 1.88 1w2mC1 GLU 40 HG3 -0.05 -0.02 -0.38 -0.04 2.34 1.85 1w2mC1 TYR 41 H 0.06 0.33 0.08 -0.55 8.29 8.21 1w2mC1 TYR 41 HA -0.05 0.07 0.55 -0.75 4.56 4.38 1w2mC1 TYR 41 HB2 -0.06 -0.03 0.02 -0.04 3.06 2.94 1w2mC1 TYR 41 HB3 -0.10 0.13 0.00 -0.04 2.98 2.97 1w2mC1 TYR 41 HD2 -0.05 0.05 -0.13 -0.04 7.15 6.98 1w2mC1 TYR 41 HE2 -0.03 0.06 0.05 -0.04 6.85 6.88 1w2mC1 PRO 42 HA 0.01 0.00 0.54 -0.51 4.44 4.48 1w2mC1 PRO 42 HB2 -0.56 0.08 -0.07 -0.04 2.28 1.69 1w2mC1 PRO 42 HB3 -0.03 0.02 0.09 -0.04 2.02 2.05 1w2mC1 PRO 42 HG2 -0.28 0.04 0.06 -0.04 2.03 1.81 1w2mC1 PRO 42 HG3 -0.00 0.05 0.08 -0.04 2.03 2.11 1w2mC1 PRO 42 HD2 0.13 0.05 0.21 -0.04 3.68 4.03 1w2mC1 PRO 42 HD3 0.04 0.14 0.18 -0.04 3.65 3.97 1w2mC1 TYR 43 H 0.10 0.07 0.15 -0.55 8.29 8.06 1w2mC1 TYR 43 HA -0.09 0.00 0.20 -0.75 4.56 3.92 1w2mC1 TYR 43 HB2 -0.07 -0.00 0.11 -0.04 3.06 3.06 1w2mC1 TYR 43 HB3 -0.06 0.03 0.10 -0.04 2.98 3.00 1w2mC1 TYR 43 HD2 -0.09 0.04 -0.14 -0.04 7.15 6.92 1w2mC1 TYR 43 HE2 -0.12 0.01 -0.56 -0.04 6.85 6.14 1w2mC1 ARG 44 H -0.52 0.18 0.10 -0.55 8.46 7.66 1w2mC1 ARG 44 HA -0.38 0.13 0.70 -0.75 4.34 4.03 1w2mC1 ARG 44 HB2 -0.28 0.10 -0.01 -0.04 1.90 1.68 1w2mC1 ARG 44 HB3 -0.27 -0.06 0.10 -0.04 1.80 1.53 1w2mC1 ARG 44 HG2 -0.18 -0.01 -0.05 -0.04 1.67 1.39 1w2mC1 ARG 44 HG3 -0.20 -0.00 -0.31 -0.04 1.67 1.11 1w2mC1 ARG 44 HD2 -0.29 0.02 -0.03 -0.04 3.22 2.89 1w2mC1 ARG 44 HD3 -0.27 0.01 0.05 -0.04 3.22 2.96 1w2mC1 GLN 45 H -0.38 0.18 -0.03 -0.55 8.47 7.70 1w2mC1 GLN 45 HA -0.31 -0.04 0.36 -0.75 4.36 3.62 1w2mC1 GLN 45 HB2 0.10 0.04 -0.01 -0.04 2.15 2.24 1w2mC1 GLN 45 HB3 0.02 0.02 -0.03 -0.04 2.02 1.99 1w2mC1 GLN 45 HG2 0.72 0.21 -0.03 -0.04 2.40 3.26 1w2mC1 GLN 45 HG3 0.50 0.04 -0.08 -0.04 2.39 2.81 1w2mC1 GLN 45 HE21 -0.07 0.31 0.02 -0.04 6.97 7.19 1w2mC1 GLN 45 HE22 0.29 0.30 0.14 -0.04 7.69 8.37 1w2mC1 ASN 46 H 0.11 -0.11 0.23 -0.55 8.53 8.22 1w2mC1 ASN 46 HA 0.18 0.14 0.55 -0.75 4.76 4.87 1w2mC1 ASN 46 HB2 0.45 0.09 0.15 -0.04 2.88 3.53 1w2mC1 ASN 46 HB3 0.40 -0.03 0.19 -0.04 2.79 3.30 1w2mC1 ASN 46 HD21 0.19 -0.02 0.04 -0.04 7.03 7.20 1w2mC1 ASN 46 HD22 0.32 0.10 0.05 -0.04 7.74 8.17 1w2mC1 SER 47 H 0.15 0.17 0.16 -0.55 8.46 8.39 1w2mC1 SER 47 HA 0.16 0.19 0.23 -0.75 4.49 4.32 1w2mC1 SER 47 HB2 0.08 -0.08 0.03 -0.04 3.95 3.94 1w2mC1 SER 47 HB3 0.04 0.02 -0.03 -0.04 3.93 3.91 1w2mC1 ASP 48 H 0.31 0.05 -0.14 -0.55 8.40 8.08 1w2mC1 ASP 48 HA 0.24 0.16 0.43 -0.75 4.63 4.70 1w2mC1 ASP 48 HB2 0.55 -0.05 0.04 -0.04 2.71 3.21 1w2mC1 ASP 48 HB3 0.30 0.06 -0.06 -0.04 2.70 2.96 1w2mC1 PHE 49 H 0.51 0.05 -0.29 -0.55 8.34 8.06 1w2mC1 PHE 49 HA 0.25 0.06 0.28 -0.75 4.62 4.46 1w2mC1 PHE 49 HB2 0.33 0.06 -0.16 -0.04 3.15 3.33 1w2mC1 PHE 49 HB3 0.31 0.06 0.00 -0.04 3.06 3.39 1w2mC1 PHE 49 HD2 0.26 0.04 -0.40 -0.04 7.28 7.15 1w2mC1 PHE 49 HE2 0.26 -0.02 -0.12 -0.04 7.38 7.46 1w2mC1 PHE 49 HZ 0.36 -0.01 -0.17 -0.04 7.32 7.47 1w2mC1 TRP 50 H 0.59 0.54 -0.27 -0.55 7.97 8.28 1w2mC1 TRP 50 HA 0.15 -0.08 0.41 -0.75 4.62 4.35 1w2mC1 TRP 50 HB2 0.17 -0.01 -0.06 -0.04 3.23 3.29 1w2mC1 TRP 50 HB3 0.13 0.13 0.05 -0.04 3.23 3.50 1w2mC1 TRP 50 HD1 0.06 0.04 -0.19 -0.04 7.22 7.08 1w2mC1 TRP 50 HE1 0.13 0.16 -0.07 -0.04 10.20 10.38 1w2mC1 TRP 50 HE3 0.14 0.08 -0.32 -0.04 7.59 7.44 1w2mC1 TRP 50 HZ2 0.12 0.04 -0.09 -0.04 7.44 7.47 1w2mC1 TRP 50 HZ3 0.08 -0.05 -0.50 -0.04 7.13 6.61 1w2mC1 TRP 50 HH2 0.07 0.04 -0.08 -0.04 7.19 7.18 1w2mC1 TYR 51 H 0.39 0.51 -0.18 -0.55 8.29 8.46 1w2mC1 TYR 51 HA 0.05 0.01 0.30 -0.75 4.56 4.16 1w2mC1 TYR 51 HB2 0.01 0.05 0.13 -0.04 3.06 3.20 1w2mC1 TYR 51 HB3 -0.29 0.11 0.11 -0.04 2.98 2.88 1w2mC1 TYR 51 HD2 -0.67 -0.01 -0.06 -0.04 7.15 6.37 1w2mC1 TYR 51 HE2 -0.16 -0.01 -0.05 -0.04 6.85 6.59 1w2mC1 PHE 52 H 0.05 0.30 -0.46 -0.55 8.34 7.67 1w2mC1 PHE 52 HA -0.14 0.16 0.75 -0.75 4.62 4.63 1w2mC1 PHE 52 HB2 -0.22 0.03 0.03 -0.04 3.15 2.94 1w2mC1 PHE 52 HB3 -0.21 -0.03 0.06 -0.04 3.06 2.83 1w2mC1 PHE 52 HD2 -0.14 0.06 -0.12 -0.04 7.28 7.05 1w2mC1 PHE 52 HE2 -0.12 0.07 -0.21 -0.04 7.38 7.08 1w2mC1 PHE 52 HZ 0.03 -0.02 -0.07 -0.04 7.32 7.22 1w2mC1 THR 53 H -0.37 0.29 -0.13 -0.55 8.28 7.52 1w2mC1 THR 53 HA -0.45 0.28 1.05 -0.75 4.39 4.52 1w2mC1 THR 53 HB -0.29 -0.06 -0.03 -0.04 4.32 3.90 1w2mC1 THR 53 HG23 -0.62 -0.00 -0.21 -0.04 1.22 0.35 1w2mC1 GLY 54 H -1.11 0.49 0.25 -0.55 8.43 7.51 1w2mC1 GLY 54 HA2 -2.63 0.02 0.29 -0.51 4.01 1.17 1w2mC1 GLY 54 HA3 -1.64 0.11 0.57 -0.51 4.01 2.54 1w2mC1 PHE 55 H -0.14 0.06 -0.23 -0.55 8.34 7.48 1w2mC1 PHE 55 HA 0.03 0.14 0.58 -0.75 4.62 4.62 1w2mC1 PHE 55 HB2 -0.10 0.15 -0.16 -0.04 3.15 3.00 1w2mC1 PHE 55 HB3 0.26 -0.03 -0.00 -0.04 3.06 3.25 1w2mC1 PHE 55 HD2 0.25 0.05 -0.06 -0.04 7.28 7.48 1w2mC1 PHE 55 HE2 0.09 -0.01 -0.05 -0.04 7.38 7.36 1w2mC1 PHE 55 HZ 0.05 -0.11 -0.02 -0.04 7.32 7.20 1w2mC1 ASN 56 H 0.10 0.19 0.07 -0.55 8.53 8.34 1w2mC1 ASN 56 HA 0.34 0.13 0.50 -0.75 4.76 4.99 1w2mC1 ASN 56 HB2 0.45 0.05 -0.02 -0.04 2.88 3.32 1w2mC1 ASN 56 HB3 0.15 0.02 0.08 -0.04 2.79 3.00 1w2mC1 ASN 56 HD21 0.09 0.07 0.01 -0.04 7.03 7.17 1w2mC1 ASN 56 HD22 0.12 0.01 0.03 -0.04 7.74 7.86 1w2mC1 GLU 57 H -0.80 0.11 -0.29 -0.55 8.60 7.07 1w2mC1 GLU 57 HA -0.42 0.27 0.98 -0.75 4.29 4.37 1w2mC1 GLU 57 HB2 -0.98 -0.09 0.00 -0.04 2.09 0.98 1w2mC1 GLU 57 HB3 -0.32 0.16 0.04 -0.04 1.99 1.83 1w2mC1 GLU 57 HG2 -0.19 0.15 0.00 -0.04 2.34 2.25 1w2mC1 GLU 57 HG3 -0.39 -0.08 -0.15 -0.04 2.34 1.68 1w2mC1 PRO 58 HA -0.27 0.14 0.63 -0.51 4.44 4.43 1w2mC1 PRO 58 HB2 -0.40 -0.08 0.08 -0.04 2.28 1.84 1w2mC1 PRO 58 HB3 -0.62 0.12 0.06 -0.04 2.02 1.53 1w2mC1 PRO 58 HG2 -0.39 0.00 -0.04 -0.04 2.03 1.56 1w2mC1 PRO 58 HG3 -0.58 0.07 0.04 -0.04 2.03 1.51 1w2mC1 PRO 58 HD2 -0.43 0.09 0.20 -0.04 3.68 3.49 1w2mC1 PRO 58 HD3 -1.02 0.23 0.13 -0.04 3.65 2.95 1w2mC1 GLU 59 H -0.39 0.17 0.07 -0.55 8.60 7.90 1w2mC1 GLU 59 HA -1.05 0.01 0.29 -0.75 4.29 2.78 1w2mC1 GLU 59 HB2 -0.40 0.13 -0.17 -0.04 2.09 1.61 1w2mC1 GLU 59 HB3 -1.00 -0.09 0.10 -0.04 1.99 0.97 1w2mC1 GLU 59 HG2 -0.74 0.01 0.01 -0.04 2.34 1.57 1w2mC1 GLU 59 HG3 -0.44 -0.02 -0.06 -0.04 2.34 1.77 1w2mC1 ALA 60 H -0.14 0.15 0.02 -0.55 8.40 7.88 1w2mC1 ALA 60 HA 0.32 0.26 0.64 -0.75 4.34 4.80 1w2mC1 ALA 60 HB3 0.26 0.03 -0.06 -0.04 1.41 1.59 1w2mC1 VAL 61 H 0.39 0.64 0.34 -0.55 8.24 9.06 1w2mC1 VAL 61 HA 0.21 0.20 0.90 -0.75 4.13 4.69 1w2mC1 VAL 61 HB 0.12 -0.05 0.03 -0.04 2.12 2.18 1w2mC1 VAL 61 HG13 -0.65 0.01 -0.22 -0.04 0.97 0.07 1w2mC1 VAL 61 HG23 0.09 -0.03 -0.27 -0.04 0.95 0.70 1w2mC1 LEU 62 H 0.28 0.64 0.35 -0.55 8.37 9.09 1w2mC1 LEU 62 HA 0.05 0.18 1.00 -0.75 4.35 4.82 1w2mC1 LEU 62 HB2 -0.15 0.00 0.04 -0.04 1.64 1.50 1w2mC1 LEU 62 HB3 -0.09 -0.07 0.18 -0.04 1.64 1.62 1w2mC1 LEU 62 HG -0.16 -0.02 -0.31 -0.04 1.64 1.10 1w2mC1 LEU 62 HD13 -0.13 0.02 -0.08 -0.04 0.93 0.71 1w2mC1 LEU 62 HD23 -0.26 0.01 -0.10 -0.04 0.89 0.50 1w2mC1 VAL 63 H -0.01 0.76 0.37 -0.55 8.24 8.81 1w2mC1 VAL 63 HA -0.02 0.36 1.14 -0.75 4.13 4.85 1w2mC1 VAL 63 HB 0.01 -0.05 0.20 -0.04 2.12 2.24 1w2mC1 VAL 63 HG13 0.01 0.00 -0.18 -0.04 0.97 0.76 1w2mC1 VAL 63 HG23 0.19 -0.01 -0.18 -0.04 0.95 0.90 1w2mC1 LEU 64 H -0.11 0.54 0.29 -0.55 8.37 8.55 1w2mC1 LEU 64 HA -0.16 0.19 1.05 -0.75 4.35 4.66 1w2mC1 LEU 64 HB2 -0.18 -0.11 0.18 -0.04 1.64 1.49 1w2mC1 LEU 64 HB3 -0.17 0.07 0.01 -0.04 1.64 1.52 1w2mC1 LEU 64 HG -0.26 -0.03 -0.09 -0.04 1.64 1.21 1w2mC1 LEU 64 HD13 -0.43 0.01 -0.02 -0.04 0.93 0.46 1w2mC1 LEU 64 HD23 -0.18 0.02 -0.11 -0.04 0.89 0.58 1w2mC1 ILE 65 H -0.25 0.74 0.37 -0.55 8.25 8.56 1w2mC1 ILE 65 HA -0.06 0.27 1.08 -0.75 4.18 4.71 1w2mC1 ILE 65 HB -0.69 -0.06 0.18 -0.04 1.89 1.28 1w2mC1 ILE 65 HG12 -0.08 0.06 -0.16 -0.04 1.49 1.28 1w2mC1 ILE 65 HG13 -0.22 -0.09 -0.32 -0.04 1.21 0.53 1w2mC1 ILE 65 HG23 0.01 0.01 -0.14 -0.04 0.93 0.77 1w2mC1 ILE 65 HD13 -0.12 0.00 -0.09 -0.04 0.88 0.64 1w2mC1 LYS 66 H 0.01 0.64 0.26 -0.55 8.42 8.78 1w2mC1 LYS 66 HA 0.02 0.13 1.04 -0.75 4.32 4.76 1w2mC1 LYS 66 HB2 -0.01 -0.05 0.00 -0.04 1.87 1.77 1w2mC1 LYS 66 HB3 0.04 0.05 0.17 -0.04 1.79 2.01 1w2mC1 LYS 66 HG2 0.04 -0.13 -0.18 -0.04 1.46 1.14 1w2mC1 LYS 66 HG3 0.02 0.02 -0.04 -0.04 1.46 1.41 1w2mC1 LYS 66 HD2 -0.00 0.04 -0.14 -0.04 1.69 1.55 1w2mC1 LYS 66 HD3 0.04 0.02 -0.72 -0.04 1.68 0.97 1w2mC1 LYS 66 HE2 0.02 -0.19 -0.25 -0.04 2.99 2.53 1w2mC1 LYS 66 HE3 0.00 -0.08 -0.16 -0.04 2.99 2.71 1w2mC1 SER 67 H 0.09 0.34 0.16 -0.55 8.46 8.50 1w2mC1 SER 67 HA 0.05 0.08 0.56 -0.75 4.49 4.42 1w2mC1 SER 67 HB2 0.10 -0.01 0.11 -0.04 3.95 4.11 1w2mC1 SER 67 HB3 0.03 -0.02 0.03 -0.04 3.93 3.93 1w2mC1 ASP 68 H 0.09 0.47 0.16 -0.55 8.40 8.58 1w2mC1 ASP 68 HA 0.05 0.10 0.42 -0.75 4.63 4.44 1w2mC1 ASP 68 HB2 0.06 -0.10 0.24 -0.04 2.71 2.86 1w2mC1 ASP 68 HB3 0.05 0.22 0.07 -0.04 2.70 3.00 1w2mC1 ASP 69 H 0.05 0.13 0.15 -0.55 8.40 8.18 1w2mC1 ASP 69 HA 0.02 0.25 0.20 -0.75 4.63 4.35 1w2mC1 ASP 69 HB2 0.02 -0.03 0.13 -0.04 2.71 2.79 1w2mC1 ASP 69 HB3 0.01 -0.03 0.05 -0.04 2.70 2.70 1w2mC1 THR 70 H 0.05 -0.14 -0.23 -0.55 8.28 7.40 1w2mC1 THR 70 HA -0.06 0.30 0.96 -0.75 4.39 4.84 1w2mC1 THR 70 HB -0.20 0.02 0.02 -0.04 4.32 4.12 1w2mC1 THR 70 HG23 -0.04 -0.00 -0.11 -0.04 1.22 1.03 1w2mC1 HIS 71 H 0.13 -0.09 -0.02 -0.55 8.41 7.89 1w2mC1 HIS 71 HA 0.01 0.17 0.72 -0.75 4.63 4.77 1w2mC1 HIS 71 HB2 0.02 -0.10 0.13 -0.04 3.26 3.27 1w2mC1 HIS 71 HB3 0.02 0.07 0.01 -0.04 3.20 3.25 1w2mC1 HIS 71 HD2 -0.01 0.04 -0.00 -0.04 6.97 6.95 1w2mC1 HIS 71 HE1 -0.00 0.01 -0.02 -0.04 7.75 7.69 1w2mC1 ASN 72 H 0.07 0.32 0.29 -0.55 8.53 8.66 1w2mC1 ASN 72 HA 0.11 0.10 0.72 -0.75 4.76 4.94 1w2mC1 ASN 72 HB2 -0.01 0.04 0.12 -0.04 2.88 2.98 1w2mC1 ASN 72 HB3 0.02 0.07 0.01 -0.04 2.79 2.85 1w2mC1 ASN 72 HD21 -0.02 0.01 -0.09 -0.04 7.03 6.89 1w2mC1 ASN 72 HD22 -0.00 0.00 -0.48 -0.04 7.74 7.22 1w2mC1 HIS 73 H -0.05 0.65 0.42 -0.55 8.41 8.89 1w2mC1 HIS 73 HA -0.03 0.10 0.61 -0.75 4.63 4.56 1w2mC1 HIS 73 HB2 -0.03 -0.05 0.19 -0.04 3.26 3.33 1w2mC1 HIS 73 HB3 -0.01 0.09 -0.19 -0.04 3.20 3.05 1w2mC1 HIS 73 HD2 -0.04 0.02 -0.20 -0.04 6.97 6.70 1w2mC1 HIS 73 HE1 -0.01 0.05 -0.07 -0.04 7.75 7.67 1w2mC1 SER 74 H 0.03 0.12 0.30 -0.55 8.46 8.37 1w2mC1 SER 74 HA -0.16 0.37 1.26 -0.75 4.49 5.21 1w2mC1 SER 74 HB2 -0.10 0.04 0.03 -0.04 3.95 3.87 1w2mC1 SER 74 HB3 -0.10 0.07 0.05 -0.04 3.93 3.91 1w2mC1 VAL 75 H -0.11 0.79 0.42 -0.55 8.24 8.79 1w2mC1 VAL 75 HA -0.10 0.23 0.91 -0.75 4.13 4.41 1w2mC1 VAL 75 HB -0.08 -0.03 0.09 -0.04 2.12 2.05 1w2mC1 VAL 75 HG13 -0.36 -0.02 -0.28 -0.04 0.97 0.27 1w2mC1 VAL 75 HG23 -0.03 0.01 -0.20 -0.04 0.95 0.69 1w2mC1 LEU 76 H -0.15 0.66 0.32 -0.55 8.37 8.66 1w2mC1 LEU 76 HA 0.02 0.26 1.08 -0.75 4.35 4.95 1w2mC1 LEU 76 HB2 -0.09 0.02 -0.02 -0.04 1.64 1.51 1w2mC1 LEU 76 HB3 -0.11 -0.02 0.12 -0.04 1.64 1.60 1w2mC1 LEU 76 HG 0.06 -0.05 -0.51 -0.04 1.64 1.10 1w2mC1 LEU 76 HD13 0.19 0.04 -0.11 -0.04 0.93 1.00 1w2mC1 LEU 76 HD23 -0.29 -0.01 -0.15 -0.04 0.89 0.40 1w2mC1 PHE 77 H 0.30 0.69 0.35 -0.55 8.34 9.13 1w2mC1 PHE 77 HA 0.09 0.31 0.81 -0.75 4.62 5.08 1w2mC1 PHE 77 HB2 0.15 -0.07 0.15 -0.04 3.15 3.34 1w2mC1 PHE 77 HB3 0.19 -0.06 -0.10 -0.04 3.06 3.04 1w2mC1 PHE 77 HD2 0.00 0.12 -0.22 -0.04 7.28 7.14 1w2mC1 PHE 77 HE2 -0.03 0.03 -0.22 -0.04 7.38 7.12 1w2mC1 PHE 77 HZ -0.03 0.01 -0.24 -0.04 7.32 7.03 1w2mC1 ASN 78 H 0.23 0.57 0.25 -0.55 8.53 9.04 1w2mC1 ASN 78 HA 0.28 0.36 0.72 -0.75 4.76 5.36 1w2mC1 ASN 78 HB2 0.36 -0.04 0.08 -0.04 2.88 3.25 1w2mC1 ASN 78 HB3 0.27 0.08 -0.20 -0.04 2.79 2.91 1w2mC1 ASN 78 HD21 0.02 0.29 -0.35 -0.04 7.03 6.95 1w2mC1 ASN 78 HD22 0.16 -0.09 -0.11 -0.04 7.74 7.66 1w2mC1 ARG 79 H 0.14 0.26 0.16 -0.55 8.46 8.47 1w2mC1 ARG 79 HA 0.14 -0.12 0.43 -0.75 4.34 4.03 1w2mC1 ARG 79 HB2 0.06 -0.03 0.10 -0.04 1.90 1.99 1w2mC1 ARG 79 HB3 0.05 0.12 -0.02 -0.04 1.80 1.92 1w2mC1 ARG 79 HG2 -0.02 -0.05 0.04 -0.04 1.67 1.60 1w2mC1 ARG 79 HG3 -0.06 0.08 0.11 -0.04 1.67 1.76 1w2mC1 ARG 79 HD2 -0.13 0.19 -0.00 -0.04 3.22 3.23 1w2mC1 ARG 79 HD3 -0.04 0.00 -0.01 -0.04 3.22 3.13 1w2mC1 VAL 80 H 0.10 0.03 0.22 -0.55 8.24 8.04 1w2mC1 VAL 80 HA 0.07 -0.03 0.54 -0.75 4.13 3.95 1w2mC1 VAL 80 HB 0.08 -0.09 0.19 -0.04 2.12 2.25 1w2mC1 VAL 80 HG13 0.06 0.02 -0.06 -0.04 0.97 0.95 1w2mC1 VAL 80 HG23 0.05 0.06 0.12 -0.04 0.95 1.13 1w2mC1 ARG 81 H 0.05 0.00 0.18 -0.55 8.46 8.14 1w2mC1 ARG 81 HA 0.05 0.11 0.53 -0.75 4.34 4.28 1w2mC1 ARG 81 HB2 0.03 -0.03 0.14 -0.04 1.90 2.00 1w2mC1 ARG 81 HB3 0.04 0.03 -0.02 -0.04 1.80 1.80 1w2mC1 ARG 81 HG2 0.03 -0.20 0.12 -0.04 1.67 1.58 1w2mC1 ARG 81 HG3 0.03 0.05 0.04 -0.04 1.67 1.75 1w2mC1 ARG 81 HD2 0.05 -0.07 -0.23 -0.04 3.22 2.93 1w2mC1 ARG 81 HD3 0.04 0.21 -0.18 -0.04 3.22 3.25 1w2mC1 ASP 82 H 0.05 0.27 0.01 -0.55 8.40 8.18 1w2mC1 ASP 82 HA 0.04 0.09 0.60 -0.75 4.63 4.61 1w2mC1 ASP 82 HB2 0.05 0.14 -0.26 -0.04 2.71 2.60 1w2mC1 ASP 82 HB3 0.07 0.02 0.08 -0.04 2.70 2.83 1w2mC1 LEU 83 H 0.04 0.22 0.07 -0.55 8.37 8.16 1w2mC1 LEU 83 HA 0.04 0.10 0.35 -0.75 4.35 4.09 1w2mC1 LEU 83 HB2 0.03 0.04 0.12 -0.04 1.64 1.79 1w2mC1 LEU 83 HB3 0.04 -0.04 0.15 -0.04 1.64 1.75 1w2mC1 LEU 83 HG 0.04 0.02 -0.17 -0.04 1.64 1.48 1w2mC1 LEU 83 HD13 0.02 0.01 0.04 -0.04 0.93 0.95 1w2mC1 LEU 83 HD23 0.02 0.02 -0.00 -0.04 0.89 0.89 1w2mC1 THR 84 H 0.06 0.08 -0.09 -0.55 8.28 7.77 1w2mC1 THR 84 HA 0.14 0.13 0.41 -0.75 4.39 4.32 1w2mC1 THR 84 HB 0.05 -0.07 0.08 -0.04 4.32 4.34 1w2mC1 THR 84 HG23 0.05 0.03 -0.09 -0.04 1.22 1.17 1w2mC1 ALA 85 H 0.08 0.04 -0.16 -0.55 8.40 7.81 1w2mC1 ALA 85 HA 0.13 0.09 0.41 -0.75 4.34 4.21 1w2mC1 ALA 85 HB3 0.13 0.02 0.05 -0.04 1.41 1.58 1w2mC1 GLU 86 H 0.09 0.29 -0.43 -0.55 8.60 8.01 1w2mC1 GLU 86 HA 0.10 0.29 0.53 -0.75 4.29 4.46 1w2mC1 GLU 86 HB2 0.06 0.03 0.07 -0.04 2.09 2.20 1w2mC1 GLU 86 HB3 0.05 -0.05 -0.15 -0.04 1.99 1.80 1w2mC1 GLU 86 HG2 0.07 0.32 0.02 -0.04 2.34 2.71 1w2mC1 GLU 86 HG3 0.08 -0.01 -0.01 -0.04 2.34 2.35 1w2mC1 ILE 87 H 0.06 0.51 0.07 -0.55 8.25 8.34 1w2mC1 ILE 87 HA -0.05 0.03 0.50 -0.75 4.18 3.90 1w2mC1 ILE 87 HB 0.06 0.06 0.21 -0.04 1.89 2.17 1w2mC1 ILE 87 HG12 -0.04 -0.01 0.06 -0.04 1.49 1.46 1w2mC1 ILE 87 HG13 0.01 0.00 0.10 -0.04 1.21 1.28 1w2mC1 ILE 87 HG23 -0.24 -0.00 -0.10 -0.04 0.93 0.54 1w2mC1 ILE 87 HD13 0.01 -0.03 -0.04 -0.04 0.88 0.77 1w2mC1 TRP 88 H 0.14 0.27 -0.37 -0.55 7.97 7.46 1w2mC1 TRP 88 HA -0.32 0.06 0.38 -0.75 4.62 3.99 1w2mC1 TRP 88 HB2 -0.59 0.02 0.14 -0.04 3.23 2.76 1w2mC1 TRP 88 HB3 -1.76 -0.01 -0.02 -0.04 3.23 1.41 1w2mC1 TRP 88 HD1 -0.16 0.19 0.06 -0.04 7.22 7.27 1w2mC1 TRP 88 HE1 -0.09 -0.05 -0.02 -0.04 10.20 10.00 1w2mC1 TRP 88 HE3 -0.46 0.04 -0.00 -0.04 7.59 7.13 1w2mC1 TRP 88 HZ2 -0.06 -0.02 -0.01 -0.04 7.44 7.30 1w2mC1 TRP 88 HZ3 -0.04 0.00 -0.00 -0.04 7.13 7.05 1w2mC1 TRP 88 HH2 -0.04 -0.01 -0.01 -0.04 7.19 7.09 1w2mC1 PHE 89 H 0.09 0.34 -0.01 -0.55 8.34 8.21 1w2mC1 PHE 89 HA 0.10 0.18 0.70 -0.75 4.62 4.84 1w2mC1 PHE 89 HB2 0.06 0.12 0.10 -0.04 3.15 3.39 1w2mC1 PHE 89 HB3 0.04 -0.05 0.12 -0.04 3.06 3.12 1w2mC1 PHE 89 HD2 0.08 0.04 -0.01 -0.04 7.28 7.36 1w2mC1 PHE 89 HE2 0.02 -0.03 -0.02 -0.04 7.38 7.32 1w2mC1 PHE 89 HZ -0.10 -0.03 -0.02 -0.04 7.32 7.14 1w2mC1 GLY 90 H 0.10 0.28 0.07 -0.55 8.43 8.34 1w2mC1 GLY 90 HA2 0.06 -0.01 0.33 -0.51 4.01 3.88 1w2mC1 GLY 90 HA3 0.08 0.21 0.89 -0.51 4.01 4.68 1w2mC1 ARG 91 H 0.05 0.11 0.13 -0.55 8.46 8.19 1w2mC1 ARG 91 HA 0.05 -0.03 0.41 -0.75 4.34 4.02 1w2mC1 ARG 91 HB2 0.05 0.02 0.09 -0.04 1.90 2.02 1w2mC1 ARG 91 HB3 0.06 0.03 -0.11 -0.04 1.80 1.74 1w2mC1 ARG 91 HG2 0.04 -0.03 0.03 -0.04 1.67 1.66 1w2mC1 ARG 91 HG3 0.03 0.01 0.03 -0.04 1.67 1.70 1w2mC1 ARG 91 HD2 0.04 0.02 -0.01 -0.04 3.22 3.22 1w2mC1 ARG 91 HD3 0.03 -0.00 -0.02 -0.04 3.22 3.19 1w2mC1 ARG 92 H 0.06 0.13 0.17 -0.55 8.46 8.27 1w2mC1 ARG 92 HA 0.08 0.20 0.78 -0.75 4.34 4.65 1w2mC1 ARG 92 HB2 0.07 -0.10 -0.03 -0.04 1.90 1.79 1w2mC1 ARG 92 HB3 0.09 -0.06 -0.11 -0.04 1.80 1.68 1w2mC1 ARG 92 HG2 0.04 0.01 -0.07 -0.04 1.67 1.61 1w2mC1 ARG 92 HG3 0.06 0.20 -0.31 -0.04 1.67 1.58 1w2mC1 ARG 92 HD2 0.07 -0.14 -0.04 -0.04 3.22 3.07 1w2mC1 ARG 92 HD3 0.06 0.15 -0.14 -0.04 3.22 3.25 1w2mC1 LEU 93 H 0.20 0.16 0.05 -0.55 8.37 8.24 1w2mC1 LEU 93 HA 0.09 0.09 0.33 -0.75 4.35 4.10 1w2mC1 LEU 93 HB2 0.27 0.03 0.05 -0.04 1.64 1.94 1w2mC1 LEU 93 HB3 0.16 -0.05 0.07 -0.04 1.64 1.78 1w2mC1 LEU 93 HG -0.04 0.05 -0.31 -0.04 1.64 1.30 1w2mC1 LEU 93 HD13 0.01 0.02 -0.11 -0.04 0.93 0.80 1w2mC1 LEU 93 HD23 -0.32 0.00 -0.10 -0.04 0.89 0.44 1w2mC1 GLY 94 H 0.11 0.08 -0.15 -0.55 8.43 7.93 1w2mC1 GLY 94 HA2 0.07 0.25 0.25 -0.51 4.01 4.07 1w2mC1 GLY 94 HA3 0.04 0.01 0.43 -0.51 4.01 3.98 1w2mC1 GLN 95 H 0.02 0.03 0.13 -0.55 8.47 8.11 1w2mC1 GLN 95 HA -0.02 0.15 0.31 -0.75 4.36 4.05 1w2mC1 GLN 95 HB2 0.01 -0.07 0.10 -0.04 2.15 2.14 1w2mC1 GLN 95 HB3 -0.02 0.15 -0.09 -0.04 2.02 2.03 1w2mC1 GLN 95 HG2 -0.00 0.00 -0.17 -0.04 2.40 2.19 1w2mC1 GLN 95 HG3 -0.02 0.03 -0.52 -0.04 2.39 1.84 1w2mC1 GLN 95 HE21 0.10 0.12 -0.66 -0.04 6.97 6.49 1w2mC1 GLN 95 HE22 0.05 0.07 -0.45 -0.04 7.69 7.32 1w2mC1 ASP 96 H -0.00 0.03 0.05 -0.55 8.40 7.93 1w2mC1 ASP 96 HA -0.02 0.14 0.39 -0.75 4.63 4.38 1w2mC1 ASP 96 HB2 -0.00 -0.03 0.12 -0.04 2.71 2.76 1w2mC1 ASP 96 HB3 -0.01 0.08 0.01 -0.04 2.70 2.74 1w2mC1 ALA 97 H -0.01 0.11 -0.21 -0.55 8.40 7.74 1w2mC1 ALA 97 HA -0.02 0.11 0.45 -0.75 4.34 4.12 1w2mC1 ALA 97 HB3 -0.01 0.06 0.03 -0.04 1.41 1.45 1w2mC1 ALA 98 H -0.05 0.17 -0.53 -0.55 8.40 7.44 1w2mC1 ALA 98 HA -0.13 -0.00 0.14 -0.75 4.34 3.59 1w2mC1 ALA 98 HB3 -0.14 0.07 -0.04 -0.04 1.41 1.27 1w2mC1 PRO 99 HA -0.08 0.06 0.41 -0.51 4.44 4.32 1w2mC1 PRO 99 HB2 -0.04 -0.04 0.04 -0.04 2.28 2.19 1w2mC1 PRO 99 HB3 -0.05 0.23 0.01 -0.04 2.02 2.17 1w2mC1 PRO 99 HG2 -0.05 0.06 0.04 -0.04 2.03 2.04 1w2mC1 PRO 99 HG3 -0.06 -0.09 -0.17 -0.04 2.03 1.66 1w2mC1 PRO 99 HD2 -0.05 0.23 -0.33 -0.04 3.68 3.49 1w2mC1 PRO 99 HD3 -0.07 0.14 0.02 -0.04 3.65 3.70 1w2mC1 GLU 100 H -0.05 0.19 -0.17 -0.55 8.60 8.02 1w2mC1 GLU 100 HA -0.04 0.08 0.44 -0.75 4.29 4.02 1w2mC1 GLU 100 HB2 -0.03 -0.02 0.10 -0.04 2.09 2.10 1w2mC1 GLU 100 HB3 -0.03 0.05 0.08 -0.04 1.99 2.05 1w2mC1 GLU 100 HG2 -0.02 0.02 0.08 -0.04 2.34 2.37 1w2mC1 GLU 100 HG3 -0.02 -0.03 0.03 -0.04 2.34 2.28 1w2mC1 LYS 101 H -0.06 0.37 -0.21 -0.55 8.42 7.96 1w2mC1 LYS 101 HA -0.04 0.03 0.25 -0.75 4.32 3.80 1w2mC1 LYS 101 HB2 -0.04 0.00 0.06 -0.04 1.87 1.85 1w2mC1 LYS 101 HB3 -0.09 -0.02 0.05 -0.04 1.79 1.69 1w2mC1 LYS 101 HG2 -0.02 -0.08 -0.08 -0.04 1.46 1.23 1w2mC1 LYS 101 HG3 -0.06 0.05 -0.20 -0.04 1.46 1.21 1w2mC1 LYS 101 HD2 -0.01 0.02 0.04 -0.04 1.69 1.70 1w2mC1 LYS 101 HD3 -0.00 -0.04 -0.02 -0.04 1.68 1.58 1w2mC1 LYS 101 HE2 0.01 0.01 0.00 -0.04 2.99 2.98 1w2mC1 LYS 101 HE3 0.03 -0.03 -0.02 -0.04 2.99 2.93 1w2mC1 LEU 102 H -0.13 0.64 0.03 -0.55 8.37 8.36 1w2mC1 LEU 102 HA -0.17 0.18 0.70 -0.75 4.35 4.30 1w2mC1 LEU 102 HB2 -0.22 0.02 0.00 -0.04 1.64 1.39 1w2mC1 LEU 102 HB3 -0.25 0.01 0.06 -0.04 1.64 1.42 1w2mC1 LEU 102 HG -0.29 -0.07 -0.09 -0.04 1.64 1.15 1w2mC1 LEU 102 HD13 -0.79 -0.04 -0.08 -0.04 0.93 -0.03 1w2mC1 LEU 102 HD23 -0.24 0.04 -0.12 -0.04 0.89 0.52 1w2mC1 GLY 103 H -0.08 0.27 -0.31 -0.55 8.43 7.76 1w2mC1 GLY 103 HA2 -0.05 0.08 0.32 -0.51 4.01 3.84 1w2mC1 GLY 103 HA3 -0.05 0.00 0.50 -0.51 4.01 3.95 1w2mC1 VAL 104 H -0.09 0.16 0.02 -0.55 8.24 7.78 1w2mC1 VAL 104 HA -0.07 0.17 0.86 -0.75 4.13 4.34 1w2mC1 VAL 104 HB -0.09 -0.08 -0.08 -0.04 2.12 1.83 1w2mC1 VAL 104 HG13 -0.13 0.02 -0.24 -0.04 0.97 0.58 1w2mC1 VAL 104 HG23 -0.12 -0.01 -0.33 -0.04 0.95 0.46 1w2mC1 ASP 105 H -0.03 0.12 0.25 -0.55 8.40 8.19 1w2mC1 ASP 105 HA -0.03 0.12 0.46 -0.75 4.63 4.43 1w2mC1 ASP 105 HB2 0.06 0.14 0.30 -0.04 2.71 3.16 1w2mC1 ASP 105 HB3 0.01 -0.00 0.07 -0.04 2.70 2.73 1w2mC1 ARG 106 H -0.04 0.39 0.26 -0.55 8.46 8.51 1w2mC1 ARG 106 HA -0.06 0.19 0.87 -0.75 4.34 4.59 1w2mC1 ARG 106 HB2 -0.02 0.04 0.11 -0.04 1.90 1.98 1w2mC1 ARG 106 HB3 -0.09 -0.02 -0.09 -0.04 1.80 1.56 1w2mC1 ARG 106 HG2 -0.04 0.09 0.08 -0.04 1.67 1.75 1w2mC1 ARG 106 HG3 -0.02 -0.01 -0.13 -0.04 1.67 1.47 1w2mC1 ARG 106 HD2 -0.06 -0.01 -0.03 -0.04 3.22 3.08 1w2mC1 ARG 106 HD3 -0.05 0.00 -0.02 -0.04 3.22 3.12 1w2mC1 ALA 107 H -0.08 0.28 0.20 -0.55 8.40 8.24 1w2mC1 ALA 107 HA -0.15 0.29 0.92 -0.75 4.34 4.64 1w2mC1 ALA 107 HB3 -0.08 0.02 0.02 -0.04 1.41 1.34 1w2mC1 LEU 108 H -0.25 0.78 0.39 -0.55 8.37 8.74 1w2mC1 LEU 108 HA -0.07 0.12 0.78 -0.75 4.35 4.42 1w2mC1 LEU 108 HB2 -0.76 0.01 -0.06 -0.04 1.64 0.79 1w2mC1 LEU 108 HB3 -0.08 -0.03 0.03 -0.04 1.64 1.52 1w2mC1 LEU 108 HG -0.27 -0.04 -0.44 -0.04 1.64 0.86 1w2mC1 LEU 108 HD13 -0.26 0.01 -0.14 -0.04 0.93 0.49 1w2mC1 LEU 108 HD23 -0.07 0.03 0.02 -0.04 0.89 0.84 1w2mC1 ALA 109 H 0.05 0.14 0.14 -0.55 8.40 8.19 1w2mC1 ALA 109 HA 0.14 0.30 0.57 -0.75 4.34 4.60 1w2mC1 ALA 109 HB3 0.10 -0.01 0.13 -0.04 1.41 1.59 1w2mC1 PHE 110 H 0.32 0.45 0.14 -0.55 8.34 8.71 1w2mC1 PHE 110 HA 0.26 0.08 0.32 -0.75 4.62 4.53 1w2mC1 PHE 110 HB2 0.14 0.18 -0.17 -0.04 3.15 3.27 1w2mC1 PHE 110 HB3 0.09 -0.06 -0.05 -0.04 3.06 3.00 1w2mC1 PHE 110 HD2 0.09 0.02 -0.35 -0.04 7.28 6.99 1w2mC1 PHE 110 HE2 0.13 0.03 -0.15 -0.04 7.38 7.36 1w2mC1 PHE 110 HZ 0.20 0.01 -0.08 -0.04 7.32 7.41 1w2mC1 SER 111 H 0.21 0.07 -0.16 -0.55 8.46 8.02 1w2mC1 SER 111 HA 0.05 0.11 0.39 -0.75 4.49 4.28 1w2mC1 SER 111 HB2 0.06 0.07 0.08 -0.04 3.95 4.12 1w2mC1 SER 111 HB3 0.12 0.00 0.08 -0.04 3.93 4.10 1w2mC1 GLU 112 H 0.08 0.33 -0.67 -0.55 8.60 7.79 1w2mC1 GLU 112 HA 0.02 0.17 0.74 -0.75 4.29 4.46 1w2mC1 GLU 112 HB2 0.15 0.18 0.03 -0.04 2.09 2.41 1w2mC1 GLU 112 HB3 0.10 -0.01 0.09 -0.04 1.99 2.14 1w2mC1 GLU 112 HG2 0.07 -0.11 -0.12 -0.04 2.34 2.14 1w2mC1 GLU 112 HG3 0.06 0.01 0.01 -0.04 2.34 2.37 1w2mC1 ILE 113 H -0.25 0.53 -0.27 -0.55 8.25 7.71 1w2mC1 ILE 113 HA -0.51 0.06 0.22 -0.75 4.18 3.20 1w2mC1 ILE 113 HB -0.82 0.06 0.10 -0.04 1.89 1.19 1w2mC1 ILE 113 HG12 -0.42 -0.00 -0.15 -0.04 1.49 0.87 1w2mC1 ILE 113 HG13 -1.23 -0.03 0.04 -0.04 1.21 -0.05 1w2mC1 ILE 113 HG23 -0.55 0.03 -0.04 -0.04 0.93 0.32 1w2mC1 ILE 113 HD13 -0.54 0.00 -0.08 -0.04 0.88 0.22 1w2mC1 ASN 114 H -0.14 0.17 -0.21 -0.55 8.53 7.81 1w2mC1 ASN 114 HA -0.03 0.11 0.59 -0.75 4.76 4.67 1w2mC1 ASN 114 HB2 -0.03 0.03 0.00 -0.04 2.88 2.84 1w2mC1 ASN 114 HB3 -0.01 0.06 0.01 -0.04 2.79 2.81 1w2mC1 ASN 114 HD21 -0.03 -0.00 -0.03 -0.04 7.03 6.92 1w2mC1 ASN 114 HD22 -0.04 0.04 -0.01 -0.04 7.74 7.69 1w2mC1 GLN 115 H 0.02 0.17 -0.29 -0.55 8.47 7.83 1w2mC1 GLN 115 HA 0.21 0.16 0.65 -0.75 4.36 4.62 1w2mC1 GLN 115 HB2 0.06 0.02 0.10 -0.04 2.15 2.28 1w2mC1 GLN 115 HB3 0.08 0.03 0.06 -0.04 2.02 2.15 1w2mC1 GLN 115 HG2 0.05 0.01 0.01 -0.04 2.40 2.42 1w2mC1 GLN 115 HG3 0.08 0.05 -0.00 -0.04 2.39 2.47 1w2mC1 GLN 115 HE21 0.01 -0.01 -0.09 -0.04 6.97 6.84 1w2mC1 GLN 115 HE22 0.02 0.06 -0.11 -0.04 7.69 7.62 1w2mC1 GLN 116 H 0.04 0.15 -0.31 -0.55 8.47 7.80 1w2mC1 GLN 116 HA -0.05 0.23 0.81 -0.75 4.36 4.59 1w2mC1 GLN 116 HB2 0.34 0.01 -0.04 -0.04 2.15 2.42 1w2mC1 GLN 116 HB3 0.20 -0.01 -0.07 -0.04 2.02 2.10 1w2mC1 GLN 116 HG2 0.10 0.00 -0.17 -0.04 2.40 2.29 1w2mC1 GLN 116 HG3 0.18 -0.08 -0.10 -0.04 2.39 2.35 1w2mC1 GLN 116 HE21 0.02 0.03 -0.06 -0.04 6.97 6.91 1w2mC1 GLN 116 HE22 0.05 -0.06 -0.08 -0.04 7.69 7.56 1w2mC1 LEU 117 H -0.02 0.58 0.13 -0.55 8.37 8.51 1w2mC1 LEU 117 HA 0.07 0.04 0.21 -0.75 4.35 3.92 1w2mC1 LEU 117 HB2 -0.24 -0.02 0.10 -0.04 1.64 1.44 1w2mC1 LEU 117 HB3 -0.04 0.04 0.13 -0.04 1.64 1.73 1w2mC1 LEU 117 HG 0.03 0.02 -0.26 -0.04 1.64 1.39 1w2mC1 LEU 117 HD13 0.02 -0.01 -0.06 -0.04 0.93 0.85 1w2mC1 LEU 117 HD23 0.01 -0.00 -0.15 -0.04 0.89 0.71 1w2mC1 TYR 118 H 0.21 0.17 -0.20 -0.55 8.29 7.91 1w2mC1 TYR 118 HA 0.01 0.06 0.37 -0.75 4.56 4.25 1w2mC1 TYR 118 HB2 0.00 0.10 0.05 -0.04 3.06 3.17 1w2mC1 TYR 118 HB3 -0.01 -0.05 0.11 -0.04 2.98 3.00 1w2mC1 TYR 118 HD2 -0.00 0.02 -0.20 -0.04 7.15 6.93 1w2mC1 TYR 118 HE2 0.00 0.03 -0.05 -0.04 6.85 6.79 1w2mC1 GLN 119 H -0.61 0.16 -0.47 -0.55 8.47 7.00 1w2mC1 GLN 119 HA -0.29 0.08 0.43 -0.75 4.36 3.83 1w2mC1 GLN 119 HB2 -0.23 0.14 0.10 -0.04 2.15 2.11 1w2mC1 GLN 119 HB3 -0.18 -0.01 0.02 -0.04 2.02 1.81 1w2mC1 GLN 119 HG2 -0.63 -0.00 -0.01 -0.04 2.40 1.71 1w2mC1 GLN 119 HG3 -1.09 0.01 0.01 -0.04 2.39 1.28 1w2mC1 GLN 119 HE21 -0.06 -0.11 0.02 -0.04 6.97 6.79 1w2mC1 GLN 119 HE22 -0.18 0.45 0.21 -0.04 7.69 8.13 1w2mC1 LEU 120 H -0.05 0.29 -0.22 -0.55 8.37 7.84 1w2mC1 LEU 120 HA 0.01 0.07 0.50 -0.75 4.35 4.18 1w2mC1 LEU 120 HB2 0.05 0.11 0.06 -0.04 1.64 1.82 1w2mC1 LEU 120 HB3 0.04 -0.04 -0.05 -0.04 1.64 1.54 1w2mC1 LEU 120 HG 0.07 0.15 -0.06 -0.04 1.64 1.76 1w2mC1 LEU 120 HD13 0.18 -0.04 -0.13 -0.04 0.93 0.89 1w2mC1 LEU 120 HD23 0.04 -0.00 -0.10 -0.04 0.89 0.79 1w2mC1 LEU 121 H 0.02 0.27 -0.27 -0.55 8.37 7.84 1w2mC1 LEU 121 HA 0.03 0.09 0.53 -0.75 4.35 4.25 1w2mC1 LEU 121 HB2 0.06 0.04 0.01 -0.04 1.64 1.70 1w2mC1 LEU 121 HB3 0.04 -0.03 0.02 -0.04 1.64 1.63 1w2mC1 LEU 121 HG 0.05 0.12 -0.08 -0.04 1.64 1.69 1w2mC1 LEU 121 HD13 0.04 -0.05 -0.12 -0.04 0.93 0.77 1w2mC1 LEU 121 HD23 0.05 -0.00 -0.11 -0.04 0.89 0.79 1w2mC1 ASN 122 H 0.01 0.20 -0.29 -0.55 8.53 7.91 1w2mC1 ASN 122 HA 0.05 0.14 0.48 -0.75 4.76 4.67 1w2mC1 ASN 122 HB2 0.05 0.03 0.14 -0.04 2.88 3.05 1w2mC1 ASN 122 HB3 0.00 0.13 0.15 -0.04 2.79 3.03 1w2mC1 ASN 122 HD21 0.02 0.09 0.00 -0.04 7.03 7.11 1w2mC1 ASN 122 HD22 0.01 -0.01 0.00 -0.04 7.74 7.70 1w2mC1 GLY 123 H 0.03 0.42 0.25 -0.55 8.43 8.58 1w2mC1 GLY 123 HA2 0.02 -0.05 0.30 -0.51 4.01 3.76 1w2mC1 GLY 123 HA3 0.02 0.05 0.44 -0.51 4.01 4.01 1w2mC1 LEU 124 H 0.02 0.45 -0.43 -0.55 8.37 7.87 1w2mC1 LEU 124 HA 0.02 0.06 0.58 -0.75 4.35 4.26 1w2mC1 LEU 124 HB2 0.03 0.03 -0.03 -0.04 1.64 1.63 1w2mC1 LEU 124 HB3 0.03 0.00 -0.08 -0.04 1.64 1.55 1w2mC1 LEU 124 HG 0.03 0.14 -0.29 -0.04 1.64 1.48 1w2mC1 LEU 124 HD13 0.04 -0.05 -0.20 -0.04 0.93 0.68 1w2mC1 LEU 124 HD23 0.03 -0.03 -0.22 -0.04 0.89 0.62 1w2mC1 ASP 125 H 0.02 0.55 0.36 -0.55 8.40 8.78 1w2mC1 ASP 125 HA 0.00 0.08 0.84 -0.75 4.63 4.79 1w2mC1 ASP 125 HB2 0.01 0.18 0.19 -0.04 2.71 3.05 1w2mC1 ASP 125 HB3 -0.00 -0.12 0.09 -0.04 2.70 2.63 1w2mC1 VAL 126 H 0.00 0.42 0.25 -0.55 8.24 8.36 1w2mC1 VAL 126 HA -0.09 0.28 1.02 -0.75 4.13 4.59 1w2mC1 VAL 126 HB -0.06 0.02 0.02 -0.04 2.12 2.06 1w2mC1 VAL 126 HG13 -0.57 -0.04 -0.24 -0.04 0.97 0.08 1w2mC1 VAL 126 HG23 -0.05 -0.01 -0.20 -0.04 0.95 0.65 1w2mC1 VAL 127 H -0.09 0.68 0.39 -0.55 8.24 8.67 1w2mC1 VAL 127 HA 0.06 0.28 1.04 -0.75 4.13 4.75 1w2mC1 VAL 127 HB 0.03 0.06 0.04 -0.04 2.12 2.22 1w2mC1 VAL 127 HG13 0.01 -0.00 0.05 -0.04 0.97 0.98 1w2mC1 VAL 127 HG23 0.11 -0.02 -0.12 -0.04 0.95 0.87 1w2mC1 TYR 128 H 0.31 0.79 0.43 -0.55 8.29 9.27 1w2mC1 TYR 128 HA 0.16 0.28 1.12 -0.75 4.56 5.36 1w2mC1 TYR 128 HB2 0.25 -0.08 0.26 -0.04 3.06 3.45 1w2mC1 TYR 128 HB3 0.48 -0.10 0.06 -0.04 2.98 3.39 1w2mC1 TYR 128 HD2 0.12 0.02 -0.26 -0.04 7.15 6.99 1w2mC1 TYR 128 HE2 0.06 0.05 -0.10 -0.04 6.85 6.81 1w2mC1 HIS 129 H 0.14 0.56 0.25 -0.55 8.41 8.82 1w2mC1 HIS 129 HA 0.33 0.17 0.84 -0.75 4.63 5.21 1w2mC1 HIS 129 HB2 0.19 0.12 -0.21 -0.04 3.26 3.32 1w2mC1 HIS 129 HB3 0.04 0.03 -0.11 -0.04 3.20 3.12 1w2mC1 HIS 129 HD2 -0.04 0.03 -0.18 -0.04 6.97 6.74 1w2mC1 HIS 129 HE1 -0.29 -0.09 -0.19 -0.04 7.75 7.14 1w2mC1 ALA 130 H -0.43 0.26 0.15 -0.55 8.40 7.84 1w2mC1 ALA 130 HA -0.73 0.08 0.84 -0.75 4.34 3.78 1w2mC1 ALA 130 HB3 -1.02 0.01 0.16 -0.04 1.41 0.52 1w2mC1 GLN 131 H -0.43 0.29 0.10 -0.55 8.47 7.89 1w2mC1 GLN 131 HA -0.32 -0.03 0.37 -0.75 4.36 3.63 1w2mC1 GLN 131 HB2 -0.11 0.07 0.05 -0.04 2.15 2.12 1w2mC1 GLN 131 HB3 -0.15 0.03 0.11 -0.04 2.02 1.97 1w2mC1 GLN 131 HG2 -0.06 0.03 -0.13 -0.04 2.40 2.21 1w2mC1 GLN 131 HG3 0.00 -0.07 0.02 -0.04 2.39 2.30 1w2mC1 GLN 131 HE21 0.02 0.06 -0.03 -0.04 6.97 6.98 1w2mC1 GLN 131 HE22 0.05 -0.05 -0.02 -0.04 7.69 7.63 1w2mC1 GLY 132 H -0.11 0.09 0.16 -0.55 8.43 8.02 1w2mC1 GLY 132 HA2 -0.07 0.01 0.24 -0.51 4.01 3.68 1w2mC1 GLY 132 HA3 -0.10 0.18 0.39 -0.51 4.01 3.98 1w2mC1 GLU 133 H -0.23 0.18 -0.21 -0.55 8.60 7.79 1w2mC1 GLU 133 HA -0.22 0.18 0.63 -0.75 4.29 4.12 1w2mC1 GLU 133 HB2 -0.29 0.03 -0.00 -0.04 2.09 1.78 1w2mC1 GLU 133 HB3 -0.37 -0.05 0.13 -0.04 1.99 1.66 1w2mC1 GLU 133 HG2 -0.41 -0.05 0.01 -0.04 2.34 1.84 1w2mC1 GLU 133 HG3 -0.96 0.02 -0.09 -0.04 2.34 1.26 1w2mC1 TYR 134 H -0.13 0.12 0.10 -0.55 8.29 7.83 1w2mC1 TYR 134 HA 0.02 0.29 0.88 -0.75 4.56 5.00 1w2mC1 TYR 134 HB2 -0.20 -0.10 0.13 -0.04 3.06 2.84 1w2mC1 TYR 134 HB3 0.16 -0.07 0.08 -0.04 2.98 3.12 1w2mC1 TYR 134 HD2 0.10 0.01 0.05 -0.04 7.15 7.27 1w2mC1 TYR 134 HE2 0.15 0.08 -0.06 -0.04 6.85 6.97 1w2mC1 ALA 135 H 0.15 0.31 0.10 -0.55 8.40 8.41 1w2mC1 ALA 135 HA 0.01 0.07 0.40 -0.75 4.34 4.07 1w2mC1 ALA 135 HB3 0.06 0.06 0.08 -0.04 1.41 1.57 1w2mC1 TYR 136 H 0.24 0.13 -0.13 -0.55 8.29 7.99 1w2mC1 TYR 136 HA 0.01 0.12 0.38 -0.75 4.56 4.32 1w2mC1 TYR 136 HB2 0.04 0.06 0.07 -0.04 3.06 3.19 1w2mC1 TYR 136 HB3 0.01 0.03 0.10 -0.04 2.98 3.08 1w2mC1 TYR 136 HD2 0.06 -0.03 -0.07 -0.04 7.15 7.07 1w2mC1 TYR 136 HE2 0.08 0.07 -0.04 -0.04 6.85 6.92 1w2mC1 ALA 137 H -0.64 0.10 -0.31 -0.55 8.40 7.01 1w2mC1 ALA 137 HA -1.07 0.09 0.46 -0.75 4.34 3.07 1w2mC1 ALA 137 HB3 -1.03 0.04 0.08 -0.04 1.41 0.45 1w2mC1 ASP 138 H -0.18 0.41 -0.07 -0.55 8.40 8.02 1w2mC1 ASP 138 HA -0.06 0.02 0.45 -0.75 4.63 4.28 1w2mC1 ASP 138 HB2 -0.03 0.14 0.15 -0.04 2.71 2.93 1w2mC1 ASP 138 HB3 -0.01 0.04 0.02 -0.04 2.70 2.71 1w2mC1 VAL 139 H -0.07 0.43 -0.23 -0.55 8.24 7.82 1w2mC1 VAL 139 HA -0.03 0.05 0.40 -0.75 4.13 3.80 1w2mC1 VAL 139 HB 0.02 0.10 0.14 -0.04 2.12 2.33 1w2mC1 VAL 139 HG13 0.01 -0.00 -0.12 -0.04 0.97 0.82 1w2mC1 VAL 139 HG23 0.01 0.05 0.03 -0.04 0.95 1.00 1w2mC1 ILE 140 H -0.08 0.39 -0.17 -0.55 8.25 7.85 1w2mC1 ILE 140 HA -0.01 0.02 0.38 -0.75 4.18 3.82 1w2mC1 ILE 140 HB -0.01 0.10 0.17 -0.04 1.89 2.10 1w2mC1 ILE 140 HG12 0.02 -0.05 -0.01 -0.04 1.49 1.41 1w2mC1 ILE 140 HG13 0.08 0.08 0.07 -0.04 1.21 1.41 1w2mC1 ILE 140 HG23 0.11 -0.01 -0.20 -0.04 0.93 0.78 1w2mC1 ILE 140 HD13 0.29 -0.02 -0.07 -0.04 0.88 1.04 1w2mC1 VAL 141 H -0.15 0.55 -0.12 -0.55 8.24 7.97 1w2mC1 VAL 141 HA -0.03 0.04 0.34 -0.75 4.13 3.72 1w2mC1 VAL 141 HB -0.37 0.02 0.11 -0.04 2.12 1.84 1w2mC1 VAL 141 HG13 -0.23 0.00 -0.18 -0.04 0.97 0.52 1w2mC1 VAL 141 HG23 -0.40 0.02 -0.03 -0.04 0.95 0.50 1w2mC1 ASN 142 H -0.08 0.65 -0.06 -0.55 8.53 8.49 1w2mC1 ASN 142 HA -0.04 0.02 0.41 -0.75 4.76 4.41 1w2mC1 ASN 142 HB2 -0.03 0.08 0.10 -0.04 2.88 2.99 1w2mC1 ASN 142 HB3 -0.02 -0.03 0.03 -0.04 2.79 2.73 1w2mC1 ASN 142 HD21 -0.01 -0.09 -0.03 -0.04 7.03 6.86 1w2mC1 ASN 142 HD22 -0.02 -0.02 -0.08 -0.04 7.74 7.58 1w2mC1 SER 143 H -0.03 0.49 -0.29 -0.55 8.46 8.08 1w2mC1 SER 143 HA -0.03 0.03 0.47 -0.75 4.49 4.21 1w2mC1 SER 143 HB2 -0.02 0.08 0.13 -0.04 3.95 4.09 1w2mC1 SER 143 HB3 -0.03 -0.04 -0.02 -0.04 3.93 3.79 1w2mC1 ALA 144 H -0.01 0.51 -0.08 -0.55 8.40 8.27 1w2mC1 ALA 144 HA 0.05 -0.01 0.48 -0.75 4.34 4.10 1w2mC1 ALA 144 HB3 0.05 0.04 0.04 -0.04 1.41 1.50 1w2mC1 LEU 145 H -0.01 0.56 -0.14 -0.55 8.37 8.23 1w2mC1 LEU 145 HA 0.02 0.05 0.32 -0.75 4.35 3.99 1w2mC1 LEU 145 HB2 -0.01 0.04 0.09 -0.04 1.64 1.71 1w2mC1 LEU 145 HB3 -0.00 0.00 -0.03 -0.04 1.64 1.57 1w2mC1 LEU 145 HG -0.01 0.13 0.01 -0.04 1.64 1.73 1w2mC1 LEU 145 HD13 -0.01 -0.02 -0.10 -0.04 0.93 0.75 1w2mC1 LEU 145 HD23 0.01 0.01 -0.04 -0.04 0.89 0.83 1w2mC1 GLU 146 H -0.02 0.44 -0.30 -0.55 8.60 8.18 1w2mC1 GLU 146 HA -0.02 0.01 0.49 -0.75 4.29 4.00 1w2mC1 GLU 146 HB2 -0.03 0.17 0.16 -0.04 2.09 2.35 1w2mC1 GLU 146 HB3 -0.04 0.05 0.14 -0.04 1.99 2.10 1w2mC1 GLU 146 HG2 -0.03 -0.03 -0.01 -0.04 2.34 2.23 1w2mC1 GLU 146 HG3 -0.03 -0.02 -0.03 -0.04 2.34 2.21 1w2mC1 LYS 147 H -0.07 0.57 -0.11 -0.55 8.42 8.26 1w2mC1 LYS 147 HA -0.12 -0.00 0.34 -0.75 4.32 3.79 1w2mC1 LYS 147 HB2 -0.25 0.11 0.15 -0.04 1.87 1.83 1w2mC1 LYS 147 HB3 -0.47 -0.03 -0.05 -0.04 1.79 1.20 1w2mC1 LYS 147 HG2 -0.22 -0.05 0.01 -0.04 1.46 1.16 1w2mC1 LYS 147 HG3 -0.15 0.07 0.05 -0.04 1.46 1.39 1w2mC1 LYS 147 HD2 -0.40 -0.01 0.00 -0.04 1.69 1.24 1w2mC1 LYS 147 HD3 -0.50 -0.02 -0.02 -0.04 1.68 1.10 1w2mC1 LYS 147 HE2 -0.11 -0.04 -0.04 -0.04 2.99 2.76 1w2mC1 LYS 147 HE3 -0.09 -0.03 -0.08 -0.04 2.99 2.74 1w2mC1 LEU 148 H -0.01 0.42 -0.34 -0.55 8.37 7.89 1w2mC1 LEU 148 HA 0.04 0.02 0.18 -0.75 4.35 3.84 1w2mC1 LEU 148 HB2 0.03 0.11 0.03 -0.04 1.64 1.76 1w2mC1 LEU 148 HB3 0.04 -0.06 -0.56 -0.04 1.64 1.02 1w2mC1 LEU 148 HG 0.13 0.10 -0.01 -0.04 1.64 1.82 1w2mC1 LEU 148 HD13 0.08 0.02 -0.16 -0.04 0.93 0.83 1w2mC1 LEU 148 HD23 0.19 0.04 -0.11 -0.04 0.89 0.96 1w2mC1 ARG 149 H -0.01 0.56 -0.12 -0.55 8.46 8.34 1w2mC1 ARG 149 HA 0.00 -0.00 0.38 -0.75 4.34 3.96 1w2mC1 ARG 149 HB2 -0.01 0.09 0.19 -0.04 1.90 2.12 1w2mC1 ARG 149 HB3 -0.01 -0.05 -0.10 -0.04 1.80 1.60 1w2mC1 ARG 149 HG2 -0.00 -0.04 0.02 -0.04 1.67 1.61 1w2mC1 ARG 149 HG3 -0.00 0.06 0.02 -0.04 1.67 1.70 1w2mC1 ARG 149 HD2 -0.01 -0.02 -0.05 -0.04 3.22 3.10 1w2mC1 ARG 149 HD3 -0.01 -0.04 -0.03 -0.04 3.22 3.10 1w2mC1 LYS 150 H -0.03 0.57 -0.20 -0.55 8.42 8.20 1w2mC1 LYS 150 HA -0.02 0.05 0.51 -0.75 4.32 4.11 1w2mC1 LYS 150 HB2 -0.04 0.09 0.04 -0.04 1.87 1.92 1w2mC1 LYS 150 HB3 -0.03 -0.09 0.15 -0.04 1.79 1.78 1w2mC1 LYS 150 HG2 -0.02 0.11 0.06 -0.04 1.46 1.56 1w2mC1 LYS 150 HG3 -0.03 -0.07 -0.00 -0.04 1.46 1.32 1w2mC1 LYS 150 HD2 -0.02 -0.03 0.03 -0.04 1.69 1.64 1w2mC1 LYS 150 HD3 -0.01 0.01 -0.08 -0.04 1.68 1.56 1w2mC1 LYS 150 HE2 -0.01 -0.01 -0.02 -0.04 2.99 2.91 1w2mC1 LYS 150 HE3 -0.02 -0.01 -0.01 -0.04 2.99 2.91 1w2mC1 GLY 151 H -0.01 0.35 -0.75 -0.55 8.43 7.47 1w2mC1 GLY 151 HA2 -0.01 0.04 0.70 -0.51 4.01 4.23 1w2mC1 GLY 151 HA3 -0.01 0.11 0.31 -0.51 4.01 3.91 1w2mC1 SER 152 H -0.00 0.23 -0.20 -0.55 8.46 7.94 1w2mC1 SER 152 HA 0.01 0.28 0.54 -0.75 4.49 4.57 1w2mC1 SER 152 HB2 0.00 -0.02 0.10 -0.04 3.95 3.99 1w2mC1 SER 152 HB3 0.00 0.11 0.13 -0.04 3.93 4.13 1w2mC1 ARG 153 H 0.00 0.12 -0.23 -0.55 8.46 7.79 1w2mC1 ARG 153 HA 0.00 0.13 0.53 -0.75 4.34 4.24 1w2mC1 ARG 153 HB2 -0.00 0.02 0.02 -0.04 1.90 1.89 1w2mC1 ARG 153 HB3 0.00 0.01 0.03 -0.04 1.80 1.80 1w2mC1 ARG 153 HG2 0.00 0.02 0.02 -0.04 1.67 1.66 1w2mC1 ARG 153 HG3 -0.00 -0.02 0.03 -0.04 1.67 1.64 1w2mC1 ARG 153 HD2 -0.00 0.02 0.02 -0.04 3.22 3.21 1w2mC1 ARG 153 HD3 -0.00 -0.01 0.01 -0.04 3.22 3.18 1w2mC1 GLN 154 H 0.01 0.24 -0.26 -0.55 8.47 7.92 1w2mC1 GLN 154 HA 0.02 0.15 0.71 -0.75 4.36 4.48 1w2mC1 GLN 154 HB2 0.03 0.07 0.06 -0.04 2.15 2.27 1w2mC1 GLN 154 HB3 0.04 0.01 0.14 -0.04 2.02 2.17 1w2mC1 GLN 154 HG2 0.02 -0.01 0.00 -0.04 2.40 2.37 1w2mC1 GLN 154 HG3 0.02 0.04 -0.02 -0.04 2.39 2.38 1w2mC1 GLN 154 HE21 -0.00 -0.01 -0.08 -0.04 6.97 6.83 1w2mC1 GLN 154 HE22 0.00 0.05 -0.15 -0.04 7.69 7.55 1w2mC1 ASN 155 H 0.02 0.25 -0.46 -0.55 8.53 7.79 1w2mC1 ASN 155 HA 0.02 0.10 0.28 -0.75 4.76 4.40 1w2mC1 ASN 155 HB2 0.02 0.10 -0.06 -0.04 2.88 2.90 1w2mC1 ASN 155 HB3 0.01 -0.04 0.14 -0.04 2.79 2.86 1w2mC1 ASN 155 HD21 0.01 -0.01 -0.10 -0.04 7.03 6.89 1w2mC1 ASN 155 HD22 0.01 0.02 -0.25 -0.04 7.74 7.49 1w2mC1 LEU 156 H 0.03 0.35 -0.15 -0.55 8.37 8.06 1w2mC1 LEU 156 HA 0.05 0.10 0.76 -0.75 4.35 4.51 1w2mC1 LEU 156 HB2 0.04 0.06 0.01 -0.04 1.64 1.71 1w2mC1 LEU 156 HB3 0.09 -0.06 -0.04 -0.04 1.64 1.59 1w2mC1 LEU 156 HG 0.07 0.00 -0.23 -0.04 1.64 1.44 1w2mC1 LEU 156 HD13 0.10 -0.03 -0.10 -0.04 0.93 0.86 1w2mC1 LEU 156 HD23 0.15 0.01 -0.11 -0.04 0.89 0.90 1w2mC1 THR 157 H 0.04 0.17 0.17 -0.55 8.28 8.11 1w2mC1 THR 157 HA 0.02 0.21 0.57 -0.75 4.39 4.44 1w2mC1 THR 157 HB 0.01 0.04 0.05 -0.04 4.32 4.37 1w2mC1 THR 157 HG23 0.01 0.02 -0.25 -0.04 1.22 0.97 1w2mC1 ALA 158 H 0.01 0.15 -0.04 -0.55 8.40 7.98 1w2mC1 ALA 158 HA 0.03 0.15 0.64 -0.75 4.34 4.40 1w2mC1 ALA 158 HB3 0.01 -0.01 -0.06 -0.04 1.41 1.32 1w2mC1 PRO 159 HA 0.00 0.22 0.59 -0.51 4.44 4.74 1w2mC1 PRO 159 HB2 -0.01 -0.03 -0.22 -0.04 2.28 1.97 1w2mC1 PRO 159 HB3 -0.00 -0.01 -0.62 -0.04 2.02 1.35 1w2mC1 PRO 159 HG2 0.01 -0.09 -0.04 -0.04 2.03 1.87 1w2mC1 PRO 159 HG3 0.02 0.08 -0.09 -0.04 2.03 2.00 1w2mC1 PRO 159 HD2 0.02 -0.04 0.14 -0.04 3.68 3.76 1w2mC1 PRO 159 HD3 0.03 0.33 0.13 -0.04 3.65 4.09 1w2mC1 ALA 160 H -0.01 0.23 0.26 -0.55 8.40 8.33 1w2mC1 ALA 160 HA -0.01 0.09 0.58 -0.75 4.34 4.25 1w2mC1 ALA 160 HB3 -0.01 -0.00 0.12 -0.04 1.41 1.48 1w2mC1 THR 161 H -0.03 0.35 -0.04 -0.55 8.28 8.02 1w2mC1 THR 161 HA -0.03 0.15 1.01 -0.75 4.39 4.76 1w2mC1 THR 161 HB -0.06 0.13 0.19 -0.04 4.32 4.54 1w2mC1 THR 161 HG23 -0.08 -0.02 -0.17 -0.04 1.22 0.91 1w2mC1 MET 162 H -0.04 0.22 0.17 -0.55 8.47 8.28 1w2mC1 MET 162 HA -0.07 0.37 1.06 -0.75 4.52 5.12 1w2mC1 MET 162 HB2 -0.00 0.04 -0.01 -0.04 2.15 2.14 1w2mC1 MET 162 HB3 -0.01 -0.04 0.12 -0.04 2.03 2.06 1w2mC1 MET 162 HG2 -0.00 -0.07 -0.28 -0.04 2.63 2.24 1w2mC1 MET 162 HG3 0.06 0.08 0.01 -0.04 2.56 2.67 1w2mC1 MET 162 HE3 0.04 0.01 -0.10 -0.04 2.10 2.01 1w2mC1 ILE 163 H -0.16 0.64 0.35 -0.55 8.25 8.52 1w2mC1 ILE 163 HA -0.04 0.16 1.02 -0.75 4.18 4.56 1w2mC1 ILE 163 HB -0.46 -0.01 0.00 -0.04 1.89 1.38 1w2mC1 ILE 163 HG12 -0.04 0.04 -0.04 -0.04 1.49 1.40 1w2mC1 ILE 163 HG13 -0.17 -0.06 -0.44 -0.04 1.21 0.50 1w2mC1 ILE 163 HG23 0.18 0.01 -0.17 -0.04 0.93 0.91 1w2mC1 ILE 163 HD13 -0.06 0.01 -0.08 -0.04 0.88 0.72 1w2mC1 ASP 164 H -0.03 0.19 0.17 -0.55 8.40 8.19 1w2mC1 ASP 164 HA -0.25 0.19 0.65 -0.75 4.63 4.45 1w2mC1 ASP 164 HB2 -0.14 0.08 0.22 -0.04 2.71 2.82 1w2mC1 ASP 164 HB3 -0.09 0.04 0.23 -0.04 2.70 2.84 1w2mC1 TRP 165 H -0.44 0.14 0.05 -0.55 7.97 7.16 1w2mC1 TRP 165 HA 0.08 0.21 0.59 -0.75 4.62 4.76 1w2mC1 TRP 165 HB2 -0.00 0.00 0.06 -0.04 3.23 3.25 1w2mC1 TRP 165 HB3 0.04 0.10 0.02 -0.04 3.23 3.34 1w2mC1 TRP 165 HD1 0.18 0.01 -0.28 -0.04 7.22 7.09 1w2mC1 TRP 165 HE1 0.19 0.45 0.15 -0.04 10.20 10.96 1w2mC1 TRP 165 HE3 0.01 -0.05 -0.58 -0.04 7.59 6.93 1w2mC1 TRP 165 HZ2 0.21 -0.03 0.14 -0.04 7.44 7.72 1w2mC1 TRP 165 HZ3 0.12 -0.01 -0.08 -0.04 7.13 7.12 1w2mC1 TRP 165 HH2 0.19 -0.06 -0.01 -0.04 7.19 7.27 1w2mC1 ARG 166 H -0.43 0.04 -0.28 -0.55 8.46 7.24 1w2mC1 ARG 166 HA -0.10 0.03 0.33 -0.75 4.34 3.85 1w2mC1 ARG 166 HB2 -0.37 0.04 0.08 -0.04 1.90 1.61 1w2mC1 ARG 166 HB3 -0.52 0.04 -0.04 -0.04 1.80 1.24 1w2mC1 ARG 166 HG2 -0.43 0.01 0.01 -0.04 1.67 1.22 1w2mC1 ARG 166 HG3 -1.24 -0.09 0.02 -0.04 1.67 0.31 1w2mC1 ARG 166 HD2 -0.14 0.06 -0.01 -0.04 3.22 3.09 1w2mC1 ARG 166 HD3 -0.39 -0.02 0.01 -0.04 3.22 2.77 1w2mC1 PRO 167 HA 0.02 0.02 0.42 -0.51 4.44 4.40 1w2mC1 PRO 167 HB2 0.04 0.08 0.03 -0.04 2.28 2.38 1w2mC1 PRO 167 HB3 0.03 0.04 0.05 -0.04 2.02 2.11 1w2mC1 PRO 167 HG2 -0.00 0.10 0.06 -0.04 2.03 2.14 1w2mC1 PRO 167 HG3 -0.01 0.02 0.04 -0.04 2.03 2.04 1w2mC1 PRO 167 HD2 -0.04 0.35 -0.17 -0.04 3.68 3.78 1w2mC1 PRO 167 HD3 -0.13 0.01 0.04 -0.04 3.65 3.53 1w2mC1 VAL 168 H 0.10 0.19 -0.30 -0.55 8.24 7.67 1w2mC1 VAL 168 HA 0.08 0.10 0.45 -0.75 4.13 4.01 1w2mC1 VAL 168 HB 0.12 0.02 0.09 -0.04 2.12 2.31 1w2mC1 VAL 168 HG13 0.07 0.02 -0.18 -0.04 0.97 0.84 1w2mC1 VAL 168 HG23 0.07 0.02 -0.01 -0.04 0.95 0.98 1w2mC1 VAL 169 H 0.21 0.57 0.01 -0.55 8.24 8.48 1w2mC1 VAL 169 HA 0.22 0.11 0.45 -0.75 4.13 4.16 1w2mC1 VAL 169 HB 0.47 -0.02 0.05 -0.04 2.12 2.58 1w2mC1 VAL 169 HG13 0.28 -0.01 -0.13 -0.04 0.97 1.07 1w2mC1 VAL 169 HG23 0.23 0.02 -0.02 -0.04 0.95 1.14 1w2mC1 HIS 170 H 0.10 0.74 -0.07 -0.55 8.41 8.63 1w2mC1 HIS 170 HA -0.03 0.02 0.44 -0.75 4.63 4.31 1w2mC1 HIS 170 HB2 0.05 0.12 0.05 -0.04 3.26 3.44 1w2mC1 HIS 170 HB3 -0.00 -0.12 -0.04 -0.04 3.20 3.00 1w2mC1 HIS 170 HD2 0.12 0.00 -0.22 -0.04 6.97 6.83 1w2mC1 HIS 170 HE1 0.02 0.01 -0.03 -0.04 7.75 7.71 1w2mC1 GLU 171 H 0.11 0.38 -0.32 -0.55 8.60 8.22 1w2mC1 GLU 171 HA 0.02 -0.01 0.50 -0.75 4.29 4.05 1w2mC1 GLU 171 HB2 0.07 0.00 0.17 -0.04 2.09 2.29 1w2mC1 GLU 171 HB3 0.08 0.16 0.19 -0.04 1.99 2.38 1w2mC1 GLU 171 HG2 0.06 -0.01 -0.01 -0.04 2.34 2.34 1w2mC1 GLU 171 HG3 0.12 0.04 -0.16 -0.04 2.34 2.30 1w2mC1 MET 172 H 0.10 0.42 -0.17 -0.55 8.47 8.27 1w2mC1 MET 172 HA 0.12 0.06 0.53 -0.75 4.52 4.47 1w2mC1 MET 172 HB2 0.12 0.10 0.18 -0.04 2.15 2.51 1w2mC1 MET 172 HB3 0.20 -0.03 -0.01 -0.04 2.03 2.15 1w2mC1 MET 172 HG2 0.10 -0.02 0.01 -0.04 2.63 2.68 1w2mC1 MET 172 HG3 0.11 0.10 0.05 -0.04 2.56 2.77 1w2mC1 MET 172 HE3 0.24 0.04 -0.01 -0.04 2.10 2.32 1w2mC1 ARG 173 H -0.07 0.37 -0.23 -0.55 8.46 7.98 1w2mC1 ARG 173 HA -0.18 0.05 0.33 -0.75 4.34 3.79 1w2mC1 ARG 173 HB2 -0.17 0.01 0.08 -0.04 1.90 1.78 1w2mC1 ARG 173 HB3 -0.21 -0.08 -0.02 -0.04 1.80 1.45 1w2mC1 ARG 173 HG2 -1.04 -0.02 -0.00 -0.04 1.67 0.57 1w2mC1 ARG 173 HG3 -1.01 0.10 -0.01 -0.04 1.67 0.71 1w2mC1 ARG 173 HD2 -0.41 -0.03 -0.11 -0.04 3.22 2.62 1w2mC1 ARG 173 HD3 -0.09 -0.05 -0.14 -0.04 3.22 2.90 1w2mC1 LEU 174 H -0.11 0.28 -0.44 -0.55 8.37 7.55 1w2mC1 LEU 174 HA -0.44 0.04 0.45 -0.75 4.35 3.64 1w2mC1 LEU 174 HB2 -0.45 -0.03 0.13 -0.04 1.64 1.24 1w2mC1 LEU 174 HB3 -0.27 0.19 0.11 -0.04 1.64 1.63 1w2mC1 LEU 174 HG -1.20 0.00 -0.14 -0.04 1.64 0.26 1w2mC1 LEU 174 HD13 -2.00 -0.01 0.07 -0.04 0.93 -1.04 1w2mC1 LEU 174 HD23 -0.51 -0.05 0.01 -0.04 0.89 0.30 1w2mC1 PHE 175 H 0.08 0.32 -0.44 -0.55 8.34 7.75 1w2mC1 PHE 175 HA -0.10 0.12 0.68 -0.75 4.62 4.56 1w2mC1 PHE 175 HB2 -0.05 0.05 0.15 -0.04 3.15 3.26 1w2mC1 PHE 175 HB3 -0.04 -0.02 -0.02 -0.04 3.06 2.93 1w2mC1 PHE 175 HD2 -0.08 0.23 0.01 -0.04 7.28 7.40 1w2mC1 PHE 175 HE2 -0.08 -0.05 -0.07 -0.04 7.38 7.15 1w2mC1 PHE 175 HZ -0.07 -0.04 -0.05 -0.04 7.32 7.12 1w2mC1 LYS 176 H -0.02 0.64 0.21 -0.55 8.42 8.69 1w2mC1 LYS 176 HA 0.06 0.01 0.42 -0.75 4.32 4.05 1w2mC1 LYS 176 HB2 -0.01 0.18 0.19 -0.04 1.87 2.18 1w2mC1 LYS 176 HB3 -0.01 -0.09 -0.03 -0.04 1.79 1.61 1w2mC1 LYS 176 HG2 0.00 -0.04 -0.03 -0.04 1.46 1.36 1w2mC1 LYS 176 HG3 0.04 -0.12 0.01 -0.04 1.46 1.35 1w2mC1 LYS 176 HD2 -0.01 0.10 -0.19 -0.04 1.69 1.55 1w2mC1 LYS 176 HD3 -0.06 0.13 0.12 -0.04 1.68 1.83 1w2mC1 LYS 176 HE2 0.06 0.06 0.21 -0.04 2.99 3.28 1w2mC1 LYS 176 HE3 0.14 -0.23 0.13 -0.04 2.99 2.98 1w2mC1 SER 177 H 0.03 0.06 0.22 -0.55 8.46 8.23 1w2mC1 SER 177 HA 0.01 0.23 0.68 -0.75 4.49 4.66 1w2mC1 SER 177 HB2 -0.03 0.03 0.18 -0.04 3.95 4.09 1w2mC1 SER 177 HB3 -0.01 0.16 0.17 -0.04 3.93 4.21 1w2mC1 PRO 178 HA -0.02 0.11 0.49 -0.51 4.44 4.51 1w2mC1 PRO 178 HB2 -0.03 0.00 0.07 -0.04 2.28 2.28 1w2mC1 PRO 178 HB3 -0.02 0.06 0.10 -0.04 2.02 2.13 1w2mC1 PRO 178 HG2 -0.02 0.06 0.10 -0.04 2.03 2.13 1w2mC1 PRO 178 HG3 -0.01 0.10 0.09 -0.04 2.03 2.17 1w2mC1 PRO 178 HD2 -0.03 0.06 0.24 -0.04 3.68 3.91 1w2mC1 PRO 178 HD3 -0.01 0.24 0.24 -0.04 3.65 4.08 1w2mC1 GLU 179 H -0.06 0.13 -0.11 -0.55 8.60 8.02 1w2mC1 GLU 179 HA -0.05 0.12 0.47 -0.75 4.29 4.07 1w2mC1 GLU 179 HB2 -0.10 -0.04 0.11 -0.04 2.09 2.02 1w2mC1 GLU 179 HB3 -0.10 0.09 0.05 -0.04 1.99 1.99 1w2mC1 GLU 179 HG2 -0.05 0.08 0.10 -0.04 2.34 2.42 1w2mC1 GLU 179 HG3 -0.06 -0.02 0.08 -0.04 2.34 2.30 1w2mC1 GLU 180 H -0.09 0.08 -0.28 -0.55 8.60 7.76 1w2mC1 GLU 180 HA -0.36 0.08 0.38 -0.75 4.29 3.64 1w2mC1 GLU 180 HB2 -0.06 0.06 0.16 -0.04 2.09 2.21 1w2mC1 GLU 180 HB3 -0.20 0.07 0.02 -0.04 1.99 1.84 1w2mC1 GLU 180 HG2 -0.04 0.05 0.01 -0.04 2.34 2.32 1w2mC1 GLU 180 HG3 -0.04 -0.11 0.05 -0.04 2.34 2.19 1w2mC1 ILE 181 H -0.07 0.50 -0.18 -0.55 8.25 7.95 1w2mC1 ILE 181 HA -0.06 0.06 0.40 -0.75 4.18 3.83 1w2mC1 ILE 181 HB -0.03 0.05 0.12 -0.04 1.89 1.99 1w2mC1 ILE 181 HG12 -0.02 -0.01 -0.03 -0.04 1.49 1.39 1w2mC1 ILE 181 HG13 -0.03 -0.01 -0.08 -0.04 1.21 1.05 1w2mC1 ILE 181 HG23 -0.01 -0.01 -0.14 -0.04 0.93 0.72 1w2mC1 ILE 181 HD13 -0.00 -0.01 -0.16 -0.04 0.88 0.67 1w2mC1 ALA 182 H -0.05 0.47 -0.21 -0.55 8.40 8.06 1w2mC1 ALA 182 HA -0.02 0.01 0.40 -0.75 4.34 3.98 1w2mC1 ALA 182 HB3 -0.01 0.02 0.09 -0.04 1.41 1.46 1w2mC1 VAL 183 H -0.09 0.40 -0.29 -0.55 8.24 7.71 1w2mC1 VAL 183 HA 0.13 0.10 0.39 -0.75 4.13 4.00 1w2mC1 VAL 183 HB -0.34 0.04 0.09 -0.04 2.12 1.86 1w2mC1 VAL 183 HG13 0.15 -0.00 -0.15 -0.04 0.97 0.92 1w2mC1 VAL 183 HG23 -0.01 0.06 -0.26 -0.04 0.95 0.70 1w2mC1 LEU 184 H -0.13 0.66 -0.10 -0.55 8.37 8.25 1w2mC1 LEU 184 HA 0.06 0.02 0.29 -0.75 4.35 3.97 1w2mC1 LEU 184 HB2 -0.04 0.08 0.11 -0.04 1.64 1.75 1w2mC1 LEU 184 HB3 0.02 -0.05 -0.06 -0.04 1.64 1.51 1w2mC1 LEU 184 HG -0.12 -0.04 -0.06 -0.04 1.64 1.37 1w2mC1 LEU 184 HD13 0.02 -0.01 -0.10 -0.04 0.93 0.79 1w2mC1 LEU 184 HD23 0.17 -0.03 -0.13 -0.04 0.89 0.86 1w2mC1 ARG 185 H -0.02 0.56 -0.29 -0.55 8.46 8.16 1w2mC1 ARG 185 HA -0.01 -0.02 0.44 -0.75 4.34 4.00 1w2mC1 ARG 185 HB2 -0.01 0.09 0.11 -0.04 1.90 2.05 1w2mC1 ARG 185 HB3 -0.01 0.11 0.12 -0.04 1.80 1.98 1w2mC1 ARG 185 HG2 -0.02 -0.02 -0.05 -0.04 1.67 1.55 1w2mC1 ARG 185 HG3 -0.01 -0.04 0.05 -0.04 1.67 1.63 1w2mC1 ARG 185 HD2 -0.01 0.02 -0.02 -0.04 3.22 3.17 1w2mC1 ARG 185 HD3 -0.01 -0.03 -0.02 -0.04 3.22 3.12 1w2mC1 ARG 186 H -0.01 0.55 -0.12 -0.55 8.46 8.33 1w2mC1 ARG 186 HA -0.12 -0.04 0.47 -0.75 4.34 3.90 1w2mC1 ARG 186 HB2 -0.03 0.04 0.15 -0.04 1.90 2.01 1w2mC1 ARG 186 HB3 -0.06 0.14 0.14 -0.04 1.80 1.98 1w2mC1 ARG 186 HG2 -0.34 0.12 0.03 -0.04 1.67 1.44 1w2mC1 ARG 186 HG3 -0.74 -0.05 -0.07 -0.04 1.67 0.77 1w2mC1 ARG 186 HD2 -0.18 -0.11 0.10 -0.04 3.22 2.99 1w2mC1 ARG 186 HD3 -0.10 0.00 0.04 -0.04 3.22 3.12 1w2mC1 ALA 187 H 0.02 0.54 -0.24 -0.55 8.40 8.18 1w2mC1 ALA 187 HA -0.09 -0.02 0.32 -0.75 4.34 3.80 1w2mC1 ALA 187 HB3 0.11 0.03 -0.08 -0.04 1.41 1.43 1w2mC1 GLY 188 H -0.00 0.69 -0.14 -0.55 8.43 8.44 1w2mC1 GLY 188 HA2 0.02 -0.13 0.44 -0.51 4.01 3.83 1w2mC1 GLY 188 HA3 0.01 0.14 0.29 -0.51 4.01 3.94 1w2mC1 GLU 189 H -0.05 0.60 -0.05 -0.55 8.60 8.55 1w2mC1 GLU 189 HA -0.03 -0.02 0.54 -0.75 4.29 4.03 1w2mC1 GLU 189 HB2 -0.11 0.12 0.17 -0.04 2.09 2.23 1w2mC1 GLU 189 HB3 -0.10 -0.05 -0.00 -0.04 1.99 1.80 1w2mC1 GLU 189 HG2 -0.03 -0.09 0.04 -0.04 2.34 2.21 1w2mC1 GLU 189 HG3 -0.03 0.15 0.10 -0.04 2.34 2.51 1w2mC1 ILE 190 H -0.14 0.70 -0.04 -0.55 8.25 8.22 1w2mC1 ILE 190 HA -0.19 0.03 0.45 -0.75 4.18 3.71 1w2mC1 ILE 190 HB -0.14 0.06 0.14 -0.04 1.89 1.92 1w2mC1 ILE 190 HG12 -0.29 -0.04 0.04 -0.04 1.49 1.17 1w2mC1 ILE 190 HG13 -0.30 0.07 0.09 -0.04 1.21 1.03 1w2mC1 ILE 190 HG23 0.13 -0.01 -0.13 -0.04 0.93 0.88 1w2mC1 ILE 190 HD13 -0.43 -0.00 -0.11 -0.04 0.88 0.29 1w2mC1 THR 191 H 0.01 0.62 -0.16 -0.55 8.28 8.19 1w2mC1 THR 191 HA 0.41 -0.02 0.29 -0.75 4.39 4.33 1w2mC1 THR 191 HB 0.09 0.15 0.18 -0.04 4.32 4.70 1w2mC1 THR 191 HG23 0.30 -0.05 -0.04 -0.04 1.22 1.39 1w2mC1 ALA 192 H 0.07 0.59 -0.19 -0.55 8.40 8.33 1w2mC1 ALA 192 HA 0.12 -0.00 0.41 -0.75 4.34 4.12 1w2mC1 ALA 192 HB3 0.04 0.02 0.03 -0.04 1.41 1.45 1w2mC1 MET 193 H 0.06 0.59 -0.21 -0.55 8.47 8.36 1w2mC1 MET 193 HA 0.07 -0.00 0.46 -0.75 4.52 4.29 1w2mC1 MET 193 HB2 0.03 0.17 0.16 -0.04 2.15 2.47 1w2mC1 MET 193 HB3 0.12 -0.05 0.01 -0.04 2.03 2.06 1w2mC1 MET 193 HG2 0.02 -0.06 0.03 -0.04 2.63 2.58 1w2mC1 MET 193 HG3 -0.03 0.09 0.04 -0.04 2.56 2.62 1w2mC1 MET 193 HE3 -0.49 0.02 -0.13 -0.04 2.10 1.46 1w2mC1 ALA 194 H 0.21 0.47 -0.27 -0.55 8.40 8.27 1w2mC1 ALA 194 HA 0.07 0.03 0.41 -0.75 4.34 4.09 1w2mC1 ALA 194 HB3 0.13 0.02 0.07 -0.04 1.41 1.59 1w2mC1 HIS 195 H 0.30 0.51 -0.13 -0.55 8.41 8.55 1w2mC1 HIS 195 HA 0.09 -0.00 0.43 -0.75 4.63 4.39 1w2mC1 HIS 195 HB2 0.10 0.11 0.13 -0.04 3.26 3.56 1w2mC1 HIS 195 HB3 0.10 -0.03 -0.05 -0.04 3.20 3.18 1w2mC1 HIS 195 HD2 0.20 0.23 -0.02 -0.04 6.97 7.34 1w2mC1 HIS 195 HE1 0.19 0.23 -0.17 -0.04 7.75 7.96 1w2mC1 THR 196 H 0.12 0.56 -0.19 -0.55 8.28 8.22 1w2mC1 THR 196 HA -0.00 -0.00 0.49 -0.75 4.39 4.12 1w2mC1 THR 196 HB 0.05 0.14 0.20 -0.04 4.32 4.67 1w2mC1 THR 196 HG23 0.00 -0.02 -0.05 -0.04 1.22 1.11 1w2mC1 ARG 197 H 0.03 0.56 -0.20 -0.55 8.46 8.30 1w2mC1 ARG 197 HA -0.01 0.02 0.35 -0.75 4.34 3.94 1w2mC1 ARG 197 HB2 0.04 0.06 0.11 -0.04 1.90 2.07 1w2mC1 ARG 197 HB3 0.01 0.14 0.12 -0.04 1.80 2.03 1w2mC1 ARG 197 HG2 -0.01 -0.05 -0.20 -0.04 1.67 1.37 1w2mC1 ARG 197 HG3 0.01 -0.03 0.01 -0.04 1.67 1.61 1w2mC1 ARG 197 HD2 0.06 -0.02 -0.02 -0.04 3.22 3.19 1w2mC1 ARG 197 HD3 0.04 0.07 -0.04 -0.04 3.22 3.25 1w2mC1 ALA 198 H -0.02 0.48 -0.22 -0.55 8.40 8.09 1w2mC1 ALA 198 HA -0.01 -0.02 0.36 -0.75 4.34 3.92 1w2mC1 ALA 198 HB3 0.03 0.03 0.04 -0.04 1.41 1.46 1w2mC1 MET 199 H -0.16 0.49 -0.29 -0.55 8.47 7.96 1w2mC1 MET 199 HA -0.83 -0.01 0.43 -0.75 4.52 3.36 1w2mC1 MET 199 HB2 -0.26 0.17 0.15 -0.04 2.15 2.17 1w2mC1 MET 199 HB3 -0.41 -0.05 -0.06 -0.04 2.03 1.47 1w2mC1 MET 199 HG2 -2.13 -0.08 -0.05 -0.04 2.63 0.34 1w2mC1 MET 199 HG3 -0.55 0.11 0.01 -0.04 2.56 2.08 1w2mC1 MET 199 HE3 -0.04 0.03 -0.07 -0.04 2.10 1.98 1w2mC1 GLU 200 H -0.11 0.43 -0.17 -0.55 8.60 8.21 1w2mC1 GLU 200 HA -0.08 0.05 0.42 -0.75 4.29 3.92 1w2mC1 GLU 200 HB2 -0.04 0.03 0.12 -0.04 2.09 2.17 1w2mC1 GLU 200 HB3 -0.04 -0.04 0.04 -0.04 1.99 1.92 1w2mC1 GLU 200 HG2 -0.05 0.05 -0.00 -0.04 2.34 2.30 1w2mC1 GLU 200 HG3 -0.06 0.07 0.00 -0.04 2.34 2.32 1w2mC1 LYS 201 H -0.05 0.33 -0.31 -0.55 8.42 7.84 1w2mC1 LYS 201 HA -0.03 0.13 0.62 -0.75 4.32 4.29 1w2mC1 LYS 201 HB2 -0.01 0.01 0.02 -0.04 1.87 1.85 1w2mC1 LYS 201 HB3 -0.03 -0.12 0.00 -0.04 1.79 1.61 1w2mC1 LYS 201 HG2 -0.03 0.10 -0.07 -0.04 1.46 1.43 1w2mC1 LYS 201 HG3 -0.03 -0.10 -0.06 -0.04 1.46 1.23 1w2mC1 LYS 201 HD2 -0.04 -0.06 -0.02 -0.04 1.69 1.53 1w2mC1 LYS 201 HD3 -0.03 0.10 -0.10 -0.04 1.68 1.61 1w2mC1 LYS 201 HE2 -0.03 -0.00 -0.05 -0.04 2.99 2.87 1w2mC1 LYS 201 HE3 -0.04 -0.06 -0.03 -0.04 2.99 2.81 1w2mC1 CYS 202 H -0.01 0.29 -0.23 -0.55 8.50 8.00 1w2mC1 CYS 202 HA 0.05 -0.14 0.26 -0.75 4.58 3.99 1w2mC1 CYS 202 HB2 0.24 0.08 0.08 -0.04 2.97 3.33 1w2mC1 CYS 202 HB3 0.15 0.10 0.08 -0.04 2.97 3.27 1w2mC1 ARG 203 H 0.00 0.09 0.22 -0.55 8.46 8.22 1w2mC1 ARG 203 HA -0.01 0.24 0.61 -0.75 4.34 4.44 1w2mC1 ARG 203 HB2 -0.03 -0.12 -0.01 -0.04 1.90 1.70 1w2mC1 ARG 203 HB3 -0.02 -0.01 0.10 -0.04 1.80 1.83 1w2mC1 ARG 203 HG2 -0.02 0.21 -0.35 -0.04 1.67 1.47 1w2mC1 ARG 203 HG3 -0.03 -0.10 -0.04 -0.04 1.67 1.47 1w2mC1 ARG 203 HD2 -0.02 -0.11 0.04 -0.04 3.22 3.09 1w2mC1 ARG 203 HD3 -0.02 0.26 -0.03 -0.04 3.22 3.39 1w2mC1 PRO 204 HA -0.05 0.14 0.44 -0.51 4.44 4.45 1w2mC1 PRO 204 HB2 -0.04 0.03 0.03 -0.04 2.28 2.26 1w2mC1 PRO 204 HB3 -0.04 -0.16 0.06 -0.04 2.02 1.83 1w2mC1 PRO 204 HG2 -0.03 0.04 0.07 -0.04 2.03 2.07 1w2mC1 PRO 204 HG3 -0.03 -0.09 -0.10 -0.04 2.03 1.76 1w2mC1 PRO 204 HD2 -0.02 0.14 0.20 -0.04 3.68 3.96 1w2mC1 PRO 204 HD3 -0.02 0.38 -0.00 -0.04 3.65 3.97 1w2mC1 GLY 205 H -0.10 0.58 0.27 -0.55 8.43 8.64 1w2mC1 GLY 205 HA2 -0.13 -0.05 0.37 -0.51 4.01 3.69 1w2mC1 GLY 205 HA3 -0.06 0.14 0.68 -0.51 4.01 4.26 1w2mC1 MET 206 H -0.04 0.43 -0.38 -0.55 8.47 7.92 1w2mC1 MET 206 HA 0.12 0.04 0.64 -0.75 4.52 4.57 1w2mC1 MET 206 HB2 0.00 0.12 0.11 -0.04 2.15 2.34 1w2mC1 MET 206 HB3 0.10 -0.03 0.05 -0.04 2.03 2.10 1w2mC1 MET 206 HG2 -0.11 -0.05 0.05 -0.04 2.63 2.47 1w2mC1 MET 206 HG3 -0.04 0.04 -0.00 -0.04 2.56 2.52 1w2mC1 MET 206 HE3 -0.04 -0.03 -0.11 -0.04 2.10 1.88 1w2mC1 PHE 207 H 0.52 0.10 0.17 -0.55 8.34 8.58 1w2mC1 PHE 207 HA -0.15 0.17 0.73 -0.75 4.62 4.62 1w2mC1 PHE 207 HB2 -1.25 -0.04 0.11 -0.04 3.15 1.93 1w2mC1 PHE 207 HB3 -0.83 -0.06 0.04 -0.04 3.06 2.16 1w2mC1 PHE 207 HD2 -0.06 -0.03 -0.20 -0.04 7.28 6.94 1w2mC1 PHE 207 HE2 0.04 0.04 0.12 -0.04 7.38 7.53 1w2mC1 PHE 207 HZ 0.03 -0.03 0.05 -0.04 7.32 7.32 1w2mC1 GLU 208 H 0.03 0.20 0.04 -0.55 8.60 8.33 1w2mC1 GLU 208 HA 0.02 0.07 0.34 -0.75 4.29 3.97 1w2mC1 GLU 208 HB2 0.15 -0.05 -0.11 -0.04 2.09 2.04 1w2mC1 GLU 208 HB3 0.13 0.10 0.07 -0.04 1.99 2.25 1w2mC1 GLU 208 HG2 0.06 0.00 -0.06 -0.04 2.34 2.30 1w2mC1 GLU 208 HG3 0.02 -0.01 -0.01 -0.04 2.34 2.30 1w2mC1 TYR 209 H -0.10 0.21 -0.11 -0.55 8.29 7.74 1w2mC1 TYR 209 HA -0.03 0.04 0.32 -0.75 4.56 4.13 1w2mC1 TYR 209 HB2 -0.08 -0.03 0.09 -0.04 3.06 3.00 1w2mC1 TYR 209 HB3 -0.05 0.27 0.18 -0.04 2.98 3.34 1w2mC1 TYR 209 HD2 -0.17 0.08 -0.12 -0.04 7.15 6.91 1w2mC1 TYR 209 HE2 -0.58 0.03 0.00 -0.04 6.85 6.27 1w2mC1 HIS 210 H -0.35 0.23 -0.41 -0.55 8.41 7.33 1w2mC1 HIS 210 HA 0.08 0.05 0.56 -0.75 4.63 4.56 1w2mC1 HIS 210 HB2 -0.06 0.21 0.13 -0.04 3.26 3.49 1w2mC1 HIS 210 HB3 -0.01 0.05 -0.02 -0.04 3.20 3.18 1w2mC1 HIS 210 HD2 0.10 0.01 0.03 -0.04 6.97 7.07 1w2mC1 HIS 210 HE1 0.13 0.06 0.06 -0.04 7.75 7.96 1w2mC1 LEU 211 H 0.06 0.38 -0.15 -0.55 8.37 8.11 1w2mC1 LEU 211 HA 0.02 0.08 0.50 -0.75 4.35 4.20 1w2mC1 LEU 211 HB2 0.03 0.11 0.09 -0.04 1.64 1.84 1w2mC1 LEU 211 HB3 0.04 -0.01 -0.01 -0.04 1.64 1.62 1w2mC1 LEU 211 HG 0.06 0.01 -0.02 -0.04 1.64 1.64 1w2mC1 LEU 211 HD13 0.14 -0.01 -0.10 -0.04 0.93 0.92 1w2mC1 LEU 211 HD23 0.07 0.01 -0.09 -0.04 0.89 0.83 1w2mC1 GLU 212 H -0.01 0.30 -0.17 -0.55 8.60 8.18 1w2mC1 GLU 212 HA -0.26 0.02 0.39 -0.75 4.29 3.69 1w2mC1 GLU 212 HB2 -0.06 -0.00 0.02 -0.04 2.09 2.00 1w2mC1 GLU 212 HB3 -0.03 0.19 0.17 -0.04 1.99 2.27 1w2mC1 GLU 212 HG2 -0.51 -0.01 -0.23 -0.04 2.34 1.55 1w2mC1 GLU 212 HG3 -0.44 -0.06 0.01 -0.04 2.34 1.81 1w2mC1 GLY 213 H -0.01 0.49 -0.27 -0.55 8.43 8.10 1w2mC1 GLY 213 HA2 -0.03 -0.01 0.34 -0.51 4.01 3.80 1w2mC1 GLY 213 HA3 0.04 0.07 0.31 -0.51 4.01 3.92 1w2mC1 GLU 214 H -0.02 0.45 -0.17 -0.55 8.60 8.31 1w2mC1 GLU 214 HA -0.02 0.01 0.42 -0.75 4.29 3.94 1w2mC1 GLU 214 HB2 -0.04 0.11 0.11 -0.04 2.09 2.23 1w2mC1 GLU 214 HB3 -0.03 -0.03 -0.06 -0.04 1.99 1.84 1w2mC1 GLU 214 HG2 0.00 0.24 0.08 -0.04 2.34 2.62 1w2mC1 GLU 214 HG3 -0.01 0.00 -0.05 -0.04 2.34 2.24 1w2mC1 ILE 215 H -0.16 0.55 -0.20 -0.55 8.25 7.89 1w2mC1 ILE 215 HA -0.23 0.02 0.35 -0.75 4.18 3.58 1w2mC1 ILE 215 HB -0.35 0.10 0.16 -0.04 1.89 1.76 1w2mC1 ILE 215 HG12 -0.27 -0.04 -0.21 -0.04 1.49 0.93 1w2mC1 ILE 215 HG13 -0.16 0.04 -0.00 -0.04 1.21 1.05 1w2mC1 ILE 215 HG23 -0.64 -0.03 -0.21 -0.04 0.93 0.01 1w2mC1 ILE 215 HD13 -0.17 -0.03 -0.20 -0.04 0.88 0.43 1w2mC1 HIS 216 H -0.24 0.65 -0.08 -0.55 8.41 8.19 1w2mC1 HIS 216 HA -0.36 -0.00 0.31 -0.75 4.63 3.82 1w2mC1 HIS 216 HB2 -0.02 0.07 0.12 -0.04 3.26 3.39 1w2mC1 HIS 216 HB3 0.01 0.00 0.03 -0.04 3.20 3.20 1w2mC1 HIS 216 HD2 -0.35 -0.07 -0.11 -0.04 6.97 6.39 1w2mC1 HIS 216 HE1 0.02 -0.03 0.03 -0.04 7.75 7.72 1w2mC1 HIS 217 H 0.11 0.52 -0.20 -0.55 8.41 8.29 1w2mC1 HIS 217 HA 0.03 -0.00 0.46 -0.75 4.63 4.36 1w2mC1 HIS 217 HB2 0.01 0.03 0.12 -0.04 3.26 3.38 1w2mC1 HIS 217 HB3 -0.01 0.13 0.14 -0.04 3.20 3.41 1w2mC1 HIS 217 HD2 0.01 -0.02 0.01 -0.04 6.97 6.92 1w2mC1 HIS 217 HE1 -0.02 -0.01 -0.05 -0.04 7.75 7.63 1w2mC1 GLU 218 H 0.06 0.51 -0.18 -0.55 8.60 8.45 1w2mC1 GLU 218 HA 0.06 -0.00 0.39 -0.75 4.29 3.98 1w2mC1 GLU 218 HB2 0.08 0.07 0.10 -0.04 2.09 2.31 1w2mC1 GLU 218 HB3 0.06 0.08 0.12 -0.04 1.99 2.21 1w2mC1 GLU 218 HG2 0.16 -0.02 -0.40 -0.04 2.34 2.03 1w2mC1 GLU 218 HG3 0.30 -0.00 -0.16 -0.04 2.34 2.44 1w2mC1 PHE 219 H 0.04 0.55 -0.09 -0.55 8.34 8.29 1w2mC1 PHE 219 HA 0.10 -0.07 0.35 -0.75 4.62 4.24 1w2mC1 PHE 219 HB2 0.04 0.14 0.12 -0.04 3.15 3.41 1w2mC1 PHE 219 HB3 0.03 0.16 -0.07 -0.04 3.06 3.14 1w2mC1 PHE 219 HD2 0.04 0.02 -0.17 -0.04 7.28 7.13 1w2mC1 PHE 219 HE2 0.07 0.01 -0.15 -0.04 7.38 7.27 1w2mC1 PHE 219 HZ 0.08 -0.08 -0.42 -0.04 7.32 6.86 1w2mC1 ASN 220 H 0.10 0.61 -0.14 -0.55 8.53 8.55 1w2mC1 ASN 220 HA 0.00 -0.03 0.00 -0.75 4.76 3.98 1w2mC1 ASN 220 HB2 -0.03 0.06 0.11 -0.04 2.88 2.98 1w2mC1 ASN 220 HB3 -0.11 0.10 0.17 -0.04 2.79 2.90 1w2mC1 ASN 220 HD21 -0.06 -0.06 -0.02 -0.04 7.03 6.85 1w2mC1 ASN 220 HD22 -0.08 0.04 0.03 -0.04 7.74 7.68 1w2mC1 ARG 221 H -0.14 0.55 -0.30 -0.55 8.46 8.01 1w2mC1 ARG 221 HA -0.20 -0.05 0.33 -0.75 4.34 3.66 1w2mC1 ARG 221 HB2 -0.32 0.13 0.13 -0.04 1.90 1.80 1w2mC1 ARG 221 HB3 -0.37 0.20 0.13 -0.04 1.80 1.72 1w2mC1 ARG 221 HG2 -0.51 -0.02 -0.12 -0.04 1.67 0.99 1w2mC1 ARG 221 HG3 -0.21 -0.07 0.06 -0.04 1.67 1.41 1w2mC1 ARG 221 HD2 -0.03 -0.06 -0.02 -0.04 3.22 3.07 1w2mC1 ARG 221 HD3 -0.05 0.03 -0.06 -0.04 3.22 3.10 1w2mC1 HIS 222 H -0.01 0.46 -0.30 -0.55 8.41 8.03 1w2mC1 HIS 222 HA 0.01 0.11 0.73 -0.75 4.63 4.73 1w2mC1 HIS 222 HB2 -0.01 0.07 0.08 -0.04 3.26 3.37 1w2mC1 HIS 222 HB3 -0.06 -0.05 0.15 -0.04 3.20 3.20 1w2mC1 HIS 222 HD2 0.07 0.20 0.01 -0.04 6.97 7.20 1w2mC1 HIS 222 HE1 0.02 -0.04 -0.04 -0.04 7.75 7.64 1w2mC1 GLY 223 H 0.04 0.56 -0.33 -0.55 8.43 8.15 1w2mC1 GLY 223 HA2 0.05 0.00 0.28 -0.51 4.01 3.84 1w2mC1 GLY 223 HA3 0.16 0.07 0.56 -0.51 4.01 4.28 1w2mC1 ALA 224 H 0.12 0.50 -0.19 -0.55 8.40 8.28 1w2mC1 ALA 224 HA 0.10 0.11 0.89 -0.75 4.34 4.69 1w2mC1 ALA 224 HB3 0.07 0.01 -0.06 -0.04 1.41 1.39 1w2mC1 ARG 225 H -0.13 0.17 -0.04 -0.55 8.46 7.91 1w2mC1 ARG 225 HA -0.17 0.05 0.28 -0.75 4.34 3.74 1w2mC1 ARG 225 HB2 -0.70 -0.03 0.10 -0.04 1.90 1.24 1w2mC1 ARG 225 HB3 -1.04 -0.00 -0.04 -0.04 1.80 0.67 1w2mC1 ARG 225 HG2 -0.21 0.01 0.02 -0.04 1.67 1.45 1w2mC1 ARG 225 HG3 -0.16 0.02 -0.02 -0.04 1.67 1.47 1w2mC1 ARG 225 HD2 -0.10 0.00 0.01 -0.04 3.22 3.10 1w2mC1 ARG 225 HD3 -0.27 -0.01 0.02 -0.04 3.22 2.92 1w2mC1 TYR 226 H -0.10 0.14 -0.12 -0.55 8.29 7.65 1w2mC1 TYR 226 HA -0.05 0.20 0.86 -0.75 4.56 4.82 1w2mC1 TYR 226 HB2 -0.07 -0.04 -0.01 -0.04 3.06 2.90 1w2mC1 TYR 226 HB3 -0.07 0.10 0.02 -0.04 2.98 2.99 1w2mC1 TYR 226 HD2 -0.05 0.03 -0.05 -0.04 7.15 7.04 1w2mC1 TYR 226 HE2 -0.01 -0.00 -0.03 -0.04 6.85 6.76 1w2mC1 PRO 227 HA -0.05 0.10 0.79 -0.51 4.44 4.77 1w2mC1 PRO 227 HB2 -0.07 0.04 -0.01 -0.04 2.28 2.20 1w2mC1 PRO 227 HB3 0.06 0.05 0.22 -0.04 2.02 2.31 1w2mC1 PRO 227 HG2 -0.28 -0.01 0.09 -0.04 2.03 1.79 1w2mC1 PRO 227 HG3 -0.39 0.04 0.08 -0.04 2.03 1.72 1w2mC1 PRO 227 HD2 0.01 0.07 0.20 -0.04 3.68 3.92 1w2mC1 PRO 227 HD3 -0.07 0.23 0.24 -0.04 3.65 4.02 1w2mC1 SER 228 H -0.15 0.56 -0.00 -0.55 8.46 8.32 1w2mC1 SER 228 HA -0.01 0.11 0.49 -0.75 4.49 4.33 1w2mC1 SER 228 HB2 0.12 -0.12 -0.04 -0.04 3.95 3.87 1w2mC1 SER 228 HB3 0.02 0.09 -0.20 -0.04 3.93 3.80 1w2mC1 TYR 229 H -0.32 0.26 -0.09 -0.55 8.29 7.59 1w2mC1 TYR 229 HA -0.03 0.08 0.25 -0.75 4.56 4.10 1w2mC1 TYR 229 HB2 -0.02 -0.03 0.03 -0.04 3.06 2.99 1w2mC1 TYR 229 HB3 -0.07 0.07 -0.04 -0.04 2.98 2.90 1w2mC1 TYR 229 HD2 0.05 0.12 -0.42 -0.04 7.15 6.86 1w2mC1 TYR 229 HE2 0.12 0.17 -0.21 -0.04 6.85 6.89 1w2mC1 ASN 230 H 0.16 0.10 0.05 -0.55 8.53 8.30 1w2mC1 ASN 230 HA 0.06 0.01 0.43 -0.75 4.76 4.50 1w2mC1 ASN 230 HB2 0.09 -0.01 0.08 -0.04 2.88 3.00 1w2mC1 ASN 230 HB3 0.06 0.10 0.02 -0.04 2.79 2.92 1w2mC1 ASN 230 HD21 -0.03 -0.00 0.00 -0.04 7.03 6.95 1w2mC1 ASN 230 HD22 0.01 0.00 0.02 -0.04 7.74 7.72 1w2mC1 THR 231 H 0.12 0.06 0.24 -0.55 8.28 8.16 1w2mC1 THR 231 HA 0.12 0.17 0.56 -0.75 4.39 4.48 1w2mC1 THR 231 HB 0.13 -0.05 0.15 -0.04 4.32 4.51 1w2mC1 THR 231 HG23 -0.02 -0.01 -0.17 -0.04 1.22 0.98 1w2mC1 ILE 232 H 0.19 0.66 0.36 -0.55 8.25 8.91 1w2mC1 ILE 232 HA 0.12 0.22 0.86 -0.75 4.18 4.64 1w2mC1 ILE 232 HB 0.22 -0.02 0.31 -0.04 1.89 2.36 1w2mC1 ILE 232 HG12 0.17 -0.08 -0.38 -0.04 1.49 1.16 1w2mC1 ILE 232 HG13 0.21 0.10 -0.33 -0.04 1.21 1.15 1w2mC1 ILE 232 HG23 0.19 0.04 -0.08 -0.04 0.93 1.03 1w2mC1 ILE 232 HD13 0.21 0.02 0.02 -0.04 0.88 1.09 1w2mC1 VAL 233 H 0.17 0.18 0.02 -0.55 8.24 8.06 1w2mC1 VAL 233 HA 0.10 0.32 0.82 -0.75 4.13 4.62 1w2mC1 VAL 233 HB 0.11 -0.12 0.08 -0.04 2.12 2.15 1w2mC1 VAL 233 HG13 0.04 0.02 -0.06 -0.04 0.97 0.93 1w2mC1 VAL 233 HG23 0.04 0.00 -0.27 -0.04 0.95 0.68 1w2mC1 GLY 234 H 0.10 0.75 0.11 -0.55 8.43 8.84 1w2mC1 GLY 234 HA2 -0.13 0.03 0.73 -0.51 4.01 4.13 1w2mC1 GLY 234 HA3 -0.05 0.17 0.01 -0.51 4.01 3.64 1w2mC1 SER 235 H -0.08 0.16 0.14 -0.55 8.46 8.14 1w2mC1 SER 235 HA -0.10 0.35 1.04 -0.75 4.49 5.03 1w2mC1 SER 235 HB2 -0.08 0.02 0.10 -0.04 3.95 3.95 1w2mC1 SER 235 HB3 -0.07 -0.01 0.03 -0.04 3.93 3.84 1w2mC1 GLY 236 H -0.07 0.57 0.38 -0.55 8.43 8.77 1w2mC1 GLY 236 HA2 -0.04 0.05 0.50 -0.51 4.01 4.01 1w2mC1 GLY 236 HA3 -0.05 -0.01 0.55 -0.51 4.01 3.99 1w2mC1 GLU 237 H -0.05 0.13 0.28 -0.55 8.60 8.41 1w2mC1 GLU 237 HA -0.01 0.19 0.45 -0.75 4.29 4.16 1w2mC1 GLU 237 HB2 -0.04 -0.00 0.11 -0.04 2.09 2.12 1w2mC1 GLU 237 HB3 -0.02 -0.01 0.08 -0.04 1.99 2.00 1w2mC1 GLU 237 HG2 0.01 -0.01 0.12 -0.04 2.34 2.42 1w2mC1 GLU 237 HG3 -0.01 -0.00 0.16 -0.04 2.34 2.45 1w2mC1 ASN 238 H -0.17 0.39 -0.25 -0.55 8.53 7.96 1w2mC1 ASN 238 HA -0.34 0.03 0.48 -0.75 4.76 4.18 1w2mC1 ASN 238 HB2 -0.48 0.03 0.03 -0.04 2.88 2.42 1w2mC1 ASN 238 HB3 -1.80 -0.05 0.09 -0.04 2.79 0.98 1w2mC1 ASN 238 HD21 -0.06 0.00 0.06 -0.04 7.03 6.99 1w2mC1 ASN 238 HD22 -0.21 -0.06 0.13 -0.04 7.74 7.56 1w2mC1 GLY 239 H -0.10 0.35 -0.63 -0.55 8.43 7.51 1w2mC1 GLY 239 HA2 0.02 0.06 0.45 -0.51 4.01 4.03 1w2mC1 GLY 239 HA3 0.03 0.12 0.21 -0.51 4.01 3.86 1w2mC1 CYS 240 H 0.01 0.35 -0.52 -0.55 8.50 7.79 1w2mC1 CYS 240 HA 0.18 0.08 0.41 -0.75 4.58 4.50 1w2mC1 CYS 240 HB2 0.03 0.13 -0.04 -0.04 2.97 3.05 1w2mC1 CYS 240 HB3 0.08 -0.06 -0.05 -0.04 2.97 2.90 1w2mC1 ILE 241 H -0.03 0.40 -0.50 -0.55 8.25 7.56 1w2mC1 ILE 241 HA -0.04 0.07 0.76 -0.75 4.18 4.22 1w2mC1 ILE 241 HB 0.05 0.16 0.16 -0.04 1.89 2.22 1w2mC1 ILE 241 HG12 0.04 -0.01 -0.03 -0.04 1.49 1.45 1w2mC1 ILE 241 HG13 0.00 0.03 -0.21 -0.04 1.21 0.99 1w2mC1 ILE 241 HG23 0.15 -0.06 -0.19 -0.04 0.93 0.78 1w2mC1 ILE 241 HD13 0.05 -0.02 -0.02 -0.04 0.88 0.85 1w2mC1 LEU 242 H -0.12 0.14 0.00 -0.55 8.37 7.85 1w2mC1 LEU 242 HA -0.22 0.16 0.05 -0.75 4.35 3.58 1w2mC1 LEU 242 HB2 -0.20 -0.08 0.02 -0.04 1.64 1.34 1w2mC1 LEU 242 HB3 -0.43 0.04 -0.08 -0.04 1.64 1.13 1w2mC1 LEU 242 HG -0.22 -0.00 0.01 -0.04 1.64 1.38 1w2mC1 LEU 242 HD13 -0.11 -0.00 -0.09 -0.04 0.93 0.68 1w2mC1 LEU 242 HD23 -0.68 0.02 -0.16 -0.04 0.89 0.02 1w2mC1 HIS 243 H 0.05 0.03 -0.19 -0.55 8.41 7.75 1w2mC1 HIS 243 HA 0.06 0.30 0.75 -0.75 4.63 4.99 1w2mC1 HIS 243 HB2 0.01 -0.06 0.05 -0.04 3.26 3.23 1w2mC1 HIS 243 HB3 0.03 0.02 0.10 -0.04 3.20 3.30 1w2mC1 HIS 243 HD2 -0.01 0.07 -0.08 -0.04 6.97 6.90 1w2mC1 HIS 243 HE1 -0.06 -0.01 -0.10 -0.04 7.75 7.54 1w2mC1 TYR 244 H 0.19 0.49 -0.45 -0.55 8.29 7.97 1w2mC1 TYR 244 HA 0.05 -0.07 0.49 -0.75 4.56 4.28 1w2mC1 TYR 244 HB2 0.03 0.10 0.11 -0.04 3.06 3.25 1w2mC1 TYR 244 HB3 0.04 0.11 0.09 -0.04 2.98 3.17 1w2mC1 TYR 244 HD2 0.04 0.03 -0.18 -0.04 7.15 7.00 1w2mC1 TYR 244 HE2 0.04 0.16 0.06 -0.04 6.85 7.07 1w2mC1 THR 245 H -0.22 0.08 0.22 -0.55 8.28 7.82 1w2mC1 THR 245 HA -0.11 0.31 1.01 -0.75 4.39 4.84 1w2mC1 THR 245 HB -0.02 0.03 0.08 -0.04 4.32 4.37 1w2mC1 THR 245 HG23 0.07 0.09 -0.31 -0.04 1.22 1.03 1w2mC1 GLU 246 H -0.76 0.01 0.07 -0.55 8.60 7.38 1w2mC1 GLU 246 HA -0.14 0.13 0.42 -0.75 4.29 3.95 1w2mC1 GLU 246 HB2 -0.40 -0.06 0.15 -0.04 2.09 1.74 1w2mC1 GLU 246 HB3 -0.05 -0.01 0.01 -0.04 1.99 1.90 1w2mC1 GLU 246 HG2 0.00 0.02 0.04 -0.04 2.34 2.36 1w2mC1 GLU 246 HG3 -0.05 0.06 0.06 -0.04 2.34 2.37 1w2mC1 ASN 247 H -0.71 0.04 -0.18 -0.55 8.53 7.13 1w2mC1 ASN 247 HA 0.23 0.12 0.28 -0.75 4.76 4.63 1w2mC1 ASN 247 HB2 0.05 0.21 -0.23 -0.04 2.88 2.87 1w2mC1 ASN 247 HB3 0.11 -0.14 -0.04 -0.04 2.79 2.69 1w2mC1 ASN 247 HD21 0.04 0.33 -0.18 -0.04 7.03 7.18 1w2mC1 ASN 247 HD22 0.03 -0.07 -0.12 -0.04 7.74 7.54 1w2mC1 GLU 248 H 0.23 0.02 -0.22 -0.55 8.60 8.08 1w2mC1 GLU 248 HA 0.32 0.22 0.53 -0.75 4.29 4.60 1w2mC1 GLU 248 HB2 0.14 0.03 0.05 -0.04 2.09 2.26 1w2mC1 GLU 248 HB3 0.09 0.15 -0.14 -0.04 1.99 2.05 1w2mC1 GLU 248 HG2 0.19 -0.09 0.01 -0.04 2.34 2.41 1w2mC1 GLU 248 HG3 0.16 0.05 0.04 -0.04 2.34 2.54 1w2mC1 GLU 250 HA -0.77 -0.00 0.18 -0.75 4.29 2.94 1w2mC1 GLU 250 HB2 -0.62 -0.01 0.13 -0.04 2.09 1.55 1w2mC1 GLU 250 HB3 -0.26 -0.06 0.03 -0.04 1.99 1.65 1w2mC1 GLU 250 HG2 -0.30 -0.01 -0.12 -0.04 2.34 1.88 1w2mC1 GLU 250 HG3 -0.70 0.18 -0.09 -0.04 2.34 1.69 1w2mC1 MET 251 H -0.22 0.71 0.19 -0.55 8.47 8.60 1w2mC1 MET 251 HA -0.09 0.01 0.65 -0.75 4.52 4.33 1w2mC1 MET 251 HB2 -0.08 0.12 0.07 -0.04 2.15 2.23 1w2mC1 MET 251 HB3 -0.07 -0.02 -0.08 -0.04 2.03 1.82 1w2mC1 MET 251 HG2 -0.06 -0.08 -0.08 -0.04 2.63 2.38 1w2mC1 MET 251 HG3 -0.07 -0.06 -0.19 -0.04 2.56 2.20 1w2mC1 MET 251 HE3 0.01 0.04 -0.27 -0.04 2.10 1.83 1w2mC1 ARG 252 H -0.08 0.10 0.17 -0.55 8.46 8.10 1w2mC1 ARG 252 HA -0.07 0.11 0.51 -0.75 4.34 4.14 1w2mC1 ARG 252 HB2 -0.05 -0.10 0.00 -0.04 1.90 1.72 1w2mC1 ARG 252 HB3 -0.05 0.10 0.04 -0.04 1.80 1.85 1w2mC1 ARG 252 HG2 -0.07 0.04 0.08 -0.04 1.67 1.68 1w2mC1 ARG 252 HG3 -0.05 -0.01 0.03 -0.04 1.67 1.60 1w2mC1 ARG 252 HD2 -0.05 -0.02 -0.01 -0.04 3.22 3.10 1w2mC1 ARG 252 HD3 -0.08 -0.01 -0.24 -0.04 3.22 2.85 1w2mC1 ASP 253 H -0.05 0.16 0.18 -0.55 8.40 8.14 1w2mC1 ASP 253 HA -0.04 0.03 0.60 -0.75 4.63 4.47 1w2mC1 ASP 253 HB2 -0.03 0.06 0.17 -0.04 2.71 2.86 1w2mC1 ASP 253 HB3 -0.03 -0.00 0.14 -0.04 2.70 2.77 1w2mC1 GLY 254 H -0.04 0.08 0.21 -0.55 8.43 8.14 1w2mC1 GLY 254 HA2 -0.03 -0.02 0.38 -0.51 4.01 3.84 1w2mC1 GLY 254 HA3 -0.03 0.15 0.62 -0.51 4.01 4.25 1w2mC1 ASP 255 H -0.05 0.44 -0.21 -0.55 8.40 8.03 1w2mC1 ASP 255 HA -0.03 0.20 0.98 -0.75 4.63 5.02 1w2mC1 ASP 255 HB2 -0.06 0.05 0.15 -0.04 2.71 2.80 1w2mC1 ASP 255 HB3 -0.06 -0.02 0.25 -0.04 2.70 2.83 1w2mC1 LEU 256 H -0.04 0.17 0.26 -0.55 8.37 8.22 1w2mC1 LEU 256 HA -0.14 0.11 0.90 -0.75 4.35 4.46 1w2mC1 LEU 256 HB2 -0.01 0.02 0.14 -0.04 1.64 1.75 1w2mC1 LEU 256 HB3 -0.04 0.10 0.00 -0.04 1.64 1.66 1w2mC1 LEU 256 HG 0.02 -0.06 -0.01 -0.04 1.64 1.56 1w2mC1 LEU 256 HD13 0.15 0.00 -0.06 -0.04 0.93 0.99 1w2mC1 LEU 256 HD23 -0.04 -0.02 -0.22 -0.04 0.89 0.56 1w2mC1 VAL 257 H -0.37 0.78 0.34 -0.55 8.24 8.44 1w2mC1 VAL 257 HA -0.16 0.14 0.74 -0.75 4.13 4.10 1w2mC1 VAL 257 HB -0.21 -0.07 -0.10 -0.04 2.12 1.70 1w2mC1 VAL 257 HG13 -0.91 0.03 -0.11 -0.04 0.97 -0.05 1w2mC1 VAL 257 HG23 -0.13 -0.01 -0.34 -0.04 0.95 0.44 1w2mC1 LEU 258 H -0.07 0.49 0.08 -0.55 8.37 8.32 1w2mC1 LEU 258 HA 0.01 0.20 1.03 -0.75 4.35 4.84 1w2mC1 LEU 258 HB2 0.06 0.06 0.07 -0.04 1.64 1.79 1w2mC1 LEU 258 HB3 0.06 -0.02 0.22 -0.04 1.64 1.85 1w2mC1 LEU 258 HG 0.14 0.05 -0.09 -0.04 1.64 1.70 1w2mC1 LEU 258 HD13 0.21 0.02 -0.18 -0.04 0.93 0.94 1w2mC1 LEU 258 HD23 0.13 0.00 -0.37 -0.04 0.89 0.61 1w2mC1 ILE 259 H 0.15 0.89 0.38 -0.55 8.25 9.12 1w2mC1 ILE 259 HA 0.13 0.33 1.12 -0.75 4.18 5.01 1w2mC1 ILE 259 HB 0.30 0.00 0.18 -0.04 1.89 2.33 1w2mC1 ILE 259 HG12 0.06 -0.02 -0.11 -0.04 1.49 1.39 1w2mC1 ILE 259 HG13 0.02 -0.06 -0.35 -0.04 1.21 0.78 1w2mC1 ILE 259 HG23 -0.01 -0.00 -0.20 -0.04 0.93 0.68 1w2mC1 ILE 259 HD13 0.26 0.00 -0.13 -0.04 0.88 0.98 1w2mC1 ASP 260 H 0.21 0.55 0.24 -0.55 8.40 8.85 1w2mC1 ASP 260 HA 0.34 0.30 1.03 -0.75 4.63 5.55 1w2mC1 ASP 260 HB2 0.18 -0.01 -0.03 -0.04 2.71 2.81 1w2mC1 ASP 260 HB3 0.24 -0.03 0.20 -0.04 2.70 3.07 1w2mC1 ALA 261 H 0.53 0.67 0.23 -0.55 8.40 9.29 1w2mC1 ALA 261 HA 0.10 0.09 0.61 -0.75 4.34 4.39 1w2mC1 ALA 261 HB3 0.14 0.01 -0.10 -0.04 1.41 1.41 1w2mC1 GLY 262 H -0.13 0.28 0.16 -0.55 8.43 8.18 1w2mC1 GLY 262 HA2 0.17 0.02 0.61 -0.51 4.01 4.30 1w2mC1 GLY 262 HA3 0.18 0.35 0.12 -0.51 4.01 4.16 1w2mC1 CYS 263 H -0.37 0.11 0.15 -0.55 8.50 7.84 1w2mC1 CYS 263 HA -0.87 0.14 0.69 -0.75 4.58 3.79 1w2mC1 CYS 263 HB2 -0.62 0.12 -0.01 -0.04 2.97 2.42 1w2mC1 CYS 263 HB3 -1.76 -0.01 -0.01 -0.04 2.97 1.14 1w2mC1 GLU 264 H -0.15 0.67 0.19 -0.55 8.60 8.77 1w2mC1 GLU 264 HA 0.00 0.31 0.64 -0.75 4.29 4.49 1w2mC1 GLU 264 HB2 -0.03 0.00 -0.38 -0.04 2.09 1.64 1w2mC1 GLU 264 HB3 0.01 0.05 -0.03 -0.04 1.99 1.97 1w2mC1 GLU 264 HG2 -0.07 -0.21 -0.31 -0.04 2.34 1.70 1w2mC1 GLU 264 HG3 -0.06 0.09 -0.46 -0.04 2.34 1.87 1w2mC1 TYR 265 H 0.15 0.75 0.04 -0.55 8.29 8.68 1w2mC1 TYR 265 HA 0.01 0.15 0.90 -0.75 4.56 4.87 1w2mC1 TYR 265 HB2 -0.02 -0.02 -0.19 -0.04 3.06 2.79 1w2mC1 TYR 265 HB3 0.04 0.01 0.03 -0.04 2.98 3.02 1w2mC1 TYR 265 HD2 0.04 0.01 -0.14 -0.04 7.15 7.02 1w2mC1 TYR 265 HE2 0.04 0.07 0.01 -0.04 6.85 6.93 1w2mC1 LYS 266 H -0.22 0.24 0.15 -0.55 8.42 8.03 1w2mC1 LYS 266 HA -0.00 0.04 0.33 -0.75 4.32 3.94 1w2mC1 LYS 266 HB2 0.09 0.11 0.19 -0.04 1.87 2.21 1w2mC1 LYS 266 HB3 0.19 -0.07 0.24 -0.04 1.79 2.10 1w2mC1 LYS 266 HG2 -1.31 -0.02 -0.20 -0.04 1.46 -0.12 1w2mC1 LYS 266 HG3 -0.31 0.14 0.07 -0.04 1.46 1.32 1w2mC1 LYS 266 HD2 0.01 -0.08 0.11 -0.04 1.69 1.69 1w2mC1 LYS 266 HD3 -0.19 -0.02 0.12 -0.04 1.68 1.55 1w2mC1 LYS 266 HE2 -0.34 0.09 0.05 -0.04 2.99 2.75 1w2mC1 LYS 266 HE3 -0.07 0.05 0.06 -0.04 2.99 2.98 1w2mC1 GLY 267 H -0.12 0.10 -0.43 -0.55 8.43 7.44 1w2mC1 GLY 267 HA2 -0.39 0.00 0.21 -0.51 4.01 3.32 1w2mC1 GLY 267 HA3 -0.38 0.10 0.50 -0.51 4.01 3.72 1w2mC1 TYR 268 H 0.22 0.44 -0.57 -0.55 8.29 7.84 1w2mC1 TYR 268 HA 0.06 0.18 0.45 -0.75 4.56 4.50 1w2mC1 TYR 268 HB2 0.11 0.13 -0.09 -0.04 3.06 3.16 1w2mC1 TYR 268 HB3 0.08 0.03 -0.19 -0.04 2.98 2.87 1w2mC1 TYR 268 HD2 0.10 0.09 -0.16 -0.04 7.15 7.14 1w2mC1 TYR 268 HE2 0.16 0.00 -0.02 -0.04 6.85 6.94 1w2mC1 ALA 269 H 0.15 0.60 0.16 -0.55 8.40 8.77 1w2mC1 ALA 269 HA 0.07 0.25 0.74 -0.75 4.34 4.65 1w2mC1 ALA 269 HB3 0.12 0.00 -0.10 -0.04 1.41 1.39 1w2mC1 GLY 270 H 0.03 0.54 0.27 -0.55 8.43 8.72 1w2mC1 GLY 270 HA2 0.09 0.14 0.59 -0.51 4.01 4.32 1w2mC1 GLY 270 HA3 0.05 0.01 0.24 -0.51 4.01 3.80 1w2mC1 ASP 271 H 0.12 0.17 -0.13 -0.55 8.40 8.01 1w2mC1 ASP 271 HA 0.37 0.07 0.36 -0.75 4.63 4.68 1w2mC1 ASP 271 HB2 0.24 0.07 -0.36 -0.04 2.71 2.62 1w2mC1 ASP 271 HB3 0.16 -0.01 -0.08 -0.04 2.70 2.72 1w2mC1 ILE 272 H 0.24 0.49 0.11 -0.55 8.25 8.55 1w2mC1 ILE 272 HA 0.02 0.25 0.90 -0.75 4.18 4.59 1w2mC1 ILE 272 HB -0.38 0.04 0.08 -0.04 1.89 1.59 1w2mC1 ILE 272 HG12 -0.02 0.03 -0.01 -0.04 1.49 1.46 1w2mC1 ILE 272 HG13 0.04 -0.19 -0.17 -0.04 1.21 0.85 1w2mC1 ILE 272 HG23 -0.39 0.04 -0.09 -0.04 0.93 0.46 1w2mC1 ILE 272 HD13 -0.01 0.03 -0.09 -0.04 0.88 0.77 1w2mC1 THR 273 H 0.03 0.33 0.30 -0.55 8.28 8.39 1w2mC1 THR 273 HA 0.23 0.41 0.92 -0.75 4.39 5.20 1w2mC1 THR 273 HB 0.11 -0.14 -0.12 -0.04 4.32 4.14 1w2mC1 THR 273 HG23 0.17 0.03 -0.25 -0.04 1.22 1.13 1w2mC1 ARG 274 H 0.31 0.60 0.34 -0.55 8.46 9.16 1w2mC1 ARG 274 HA 0.22 0.09 0.75 -0.75 4.34 4.64 1w2mC1 ARG 274 HB2 0.46 -0.04 0.11 -0.04 1.90 2.39 1w2mC1 ARG 274 HB3 0.37 0.03 0.03 -0.04 1.80 2.20 1w2mC1 ARG 274 HG2 0.02 -0.04 -0.26 -0.04 1.67 1.34 1w2mC1 ARG 274 HG3 0.16 -0.01 -0.06 -0.04 1.67 1.72 1w2mC1 ARG 274 HD2 0.19 0.02 0.15 -0.04 3.22 3.55 1w2mC1 ARG 274 HD3 0.15 -0.01 0.28 -0.04 3.22 3.60 1w2mC1 THR 275 H 0.34 0.21 0.24 -0.55 8.28 8.52 1w2mC1 THR 275 HA 0.04 0.35 1.02 -0.75 4.39 5.04 1w2mC1 THR 275 HB 0.36 -0.05 0.12 -0.04 4.32 4.70 1w2mC1 THR 275 HG23 0.09 0.00 -0.04 -0.04 1.22 1.23 1w2mC1 PHE 276 H -0.36 0.57 0.31 -0.55 8.34 8.31 1w2mC1 PHE 276 HA -0.28 0.09 0.60 -0.75 4.62 4.28 1w2mC1 PHE 276 HB2 -0.17 0.05 -0.00 -0.04 3.15 2.99 1w2mC1 PHE 276 HB3 -0.02 0.07 -0.15 -0.04 3.06 2.92 1w2mC1 PHE 276 HD2 -0.00 0.08 -0.40 -0.04 7.28 6.91 1w2mC1 PHE 276 HE2 0.02 0.02 -0.15 -0.04 7.38 7.24 1w2mC1 PHE 276 HZ 0.00 -0.01 -0.26 -0.04 7.32 7.01 1w2mC1 PRO 277 HA -0.20 0.12 0.69 -0.51 4.44 4.54 1w2mC1 PRO 277 HB2 -0.18 -0.17 -0.16 -0.04 2.28 1.73 1w2mC1 PRO 277 HB3 -0.37 0.08 -0.26 -0.04 2.02 1.43 1w2mC1 PRO 277 HG2 -0.25 0.04 -0.21 -0.04 2.03 1.57 1w2mC1 PRO 277 HG3 -0.65 -0.06 -0.42 -0.04 2.03 0.85 1w2mC1 PRO 277 HD2 -0.50 0.19 0.11 -0.04 3.68 3.43 1w2mC1 PRO 277 HD3 -2.05 0.10 0.00 -0.04 3.65 1.66 1w2mC1 VAL 278 H -0.10 0.61 0.32 -0.55 8.24 8.52 1w2mC1 VAL 278 HA 0.03 0.12 0.27 -0.75 4.13 3.79 1w2mC1 VAL 278 HB -0.06 0.03 0.11 -0.04 2.12 2.15 1w2mC1 VAL 278 HG13 -0.04 -0.02 -0.47 -0.04 0.97 0.40 1w2mC1 VAL 278 HG23 -0.10 -0.03 -0.19 -0.04 0.95 0.59 1w2mC1 ASN 279 H -0.05 -0.01 -0.20 -0.55 8.53 7.73 1w2mC1 ASN 279 HA -0.02 0.28 0.59 -0.75 4.76 4.85 1w2mC1 ASN 279 HB2 -0.03 0.09 0.17 -0.04 2.88 3.07 1w2mC1 ASN 279 HB3 -0.03 -0.11 0.13 -0.04 2.79 2.73 1w2mC1 ASN 279 HD21 -0.03 0.08 0.05 -0.04 7.03 7.10 1w2mC1 ASN 279 HD22 -0.03 -0.01 0.07 -0.04 7.74 7.73 1w2mC1 GLY 280 H -0.03 0.36 -0.51 -0.55 8.43 7.70 1w2mC1 GLY 280 HA2 -0.05 0.10 0.23 -0.51 4.01 3.78 1w2mC1 GLY 280 HA3 -0.03 0.17 0.53 -0.51 4.01 4.16 1w2mC1 LYS 281 H -0.08 0.03 -0.34 -0.55 8.42 7.48 1w2mC1 LYS 281 HA -0.02 0.13 0.77 -0.75 4.32 4.44 1w2mC1 LYS 281 HB2 -0.01 0.10 -0.21 -0.04 1.87 1.70 1w2mC1 LYS 281 HB3 -0.01 -0.06 -0.06 -0.04 1.79 1.61 1w2mC1 LYS 281 HG2 0.02 -0.03 -0.12 -0.04 1.46 1.29 1w2mC1 LYS 281 HG3 0.05 0.01 -0.00 -0.04 1.46 1.48 1w2mC1 LYS 281 HD2 0.02 0.05 0.03 -0.04 1.69 1.75 1w2mC1 LYS 281 HD3 0.01 0.01 -0.04 -0.04 1.68 1.62 1w2mC1 LYS 281 HE2 0.03 -0.02 0.00 -0.04 2.99 2.96 1w2mC1 LYS 281 HE3 0.01 -0.00 -0.01 -0.04 2.99 2.95 1w2mC1 PHE 282 H 0.17 0.17 0.07 -0.55 8.34 8.19 1w2mC1 PHE 282 HA -0.01 0.04 0.58 -0.75 4.62 4.47 1w2mC1 PHE 282 HB2 -0.04 -0.00 0.08 -0.04 3.15 3.15 1w2mC1 PHE 282 HB3 -0.02 0.01 -0.06 -0.04 3.06 2.94 1w2mC1 PHE 282 HD2 -0.06 -0.03 -0.09 -0.04 7.28 7.06 1w2mC1 PHE 282 HE2 -0.18 0.04 -0.04 -0.04 7.38 7.16 1w2mC1 PHE 282 HZ -0.75 0.19 0.02 -0.04 7.32 6.74 1w2mC1 THR 283 H 0.09 0.14 0.16 -0.55 8.28 8.12 1w2mC1 THR 283 HA 0.04 0.17 0.65 -0.75 4.39 4.50 1w2mC1 THR 283 HB 0.01 -0.02 0.17 -0.04 4.32 4.44 1w2mC1 THR 283 HG23 0.01 0.06 0.11 -0.04 1.22 1.35 1w2mC1 GLN 284 H 0.02 0.22 0.14 -0.55 8.47 8.30 1w2mC1 GLN 284 HA 0.02 0.10 0.34 -0.75 4.36 4.07 1w2mC1 GLN 284 HB2 0.00 0.07 0.13 -0.04 2.15 2.31 1w2mC1 GLN 284 HB3 -0.01 -0.06 0.16 -0.04 2.02 2.07 1w2mC1 GLN 284 HG2 -0.00 0.01 -0.34 -0.04 2.40 2.03 1w2mC1 GLN 284 HG3 0.01 0.02 -0.04 -0.04 2.39 2.33 1w2mC1 GLN 284 HE21 -0.01 0.02 -0.02 -0.04 6.97 6.92 1w2mC1 GLN 284 HE22 0.01 0.02 -0.05 -0.04 7.69 7.62 1w2mC1 ALA 285 H -0.01 0.09 -0.20 -0.55 8.40 7.74 1w2mC1 ALA 285 HA 0.09 0.09 0.25 -0.75 4.34 4.01 1w2mC1 ALA 285 HB3 -0.13 0.03 -0.06 -0.04 1.41 1.21 1w2mC1 GLN 286 H 0.09 0.06 -0.32 -0.55 8.47 7.76 1w2mC1 GLN 286 HA 0.16 0.13 0.53 -0.75 4.36 4.42 1w2mC1 GLN 286 HB2 0.25 -0.05 0.14 -0.04 2.15 2.44 1w2mC1 GLN 286 HB3 0.38 0.02 -0.02 -0.04 2.02 2.35 1w2mC1 GLN 286 HG2 0.12 0.04 0.01 -0.04 2.40 2.53 1w2mC1 GLN 286 HG3 0.09 0.02 0.01 -0.04 2.39 2.46 1w2mC1 GLN 286 HE21 -0.00 0.38 0.04 -0.04 6.97 7.34 1w2mC1 GLN 286 HE22 0.02 0.02 0.07 -0.04 7.69 7.77 1w2mC1 ARG 287 H 0.09 0.63 -0.15 -0.55 8.46 8.48 1w2mC1 ARG 287 HA -0.38 -0.00 0.39 -0.75 4.34 3.60 1w2mC1 ARG 287 HB2 -0.04 0.00 -0.01 -0.04 1.90 1.81 1w2mC1 ARG 287 HB3 -0.01 0.18 0.08 -0.04 1.80 2.01 1w2mC1 ARG 287 HG2 -0.07 0.00 -0.04 -0.04 1.67 1.52 1w2mC1 ARG 287 HG3 -0.08 0.01 -0.21 -0.04 1.67 1.35 1w2mC1 ARG 287 HD2 -0.33 -0.05 0.11 -0.04 3.22 2.91 1w2mC1 ARG 287 HD3 -0.42 -0.01 0.02 -0.04 3.22 2.77 1w2mC1 GLU 288 H 0.06 0.39 -0.35 -0.55 8.60 8.15 1w2mC1 GLU 288 HA -0.01 0.02 0.31 -0.75 4.29 3.86 1w2mC1 GLU 288 HB2 0.18 0.09 0.11 -0.04 2.09 2.42 1w2mC1 GLU 288 HB3 0.05 0.00 -0.04 -0.04 1.99 1.96 1w2mC1 GLU 288 HG2 0.03 -0.02 -0.01 -0.04 2.34 2.30 1w2mC1 GLU 288 HG3 0.03 0.00 -0.02 -0.04 2.34 2.32 1w2mC1 ILE 289 H 0.07 0.39 -0.16 -0.55 8.25 7.99 1w2mC1 ILE 289 HA -0.10 0.06 0.51 -0.75 4.18 3.90 1w2mC1 ILE 289 HB 0.05 0.06 0.08 -0.04 1.89 2.03 1w2mC1 ILE 289 HG12 0.10 0.14 0.08 -0.04 1.49 1.77 1w2mC1 ILE 289 HG13 0.05 0.03 0.00 -0.04 1.21 1.26 1w2mC1 ILE 289 HG23 -0.09 -0.00 -0.10 -0.04 0.93 0.69 1w2mC1 ILE 289 HD13 -0.38 -0.01 -0.07 -0.04 0.88 0.38 1w2mC1 TYR 290 H 0.08 0.54 -0.20 -0.55 8.29 8.16 1w2mC1 TYR 290 HA -0.06 0.02 0.26 -0.75 4.56 4.02 1w2mC1 TYR 290 HB2 -0.10 0.09 0.07 -0.04 3.06 3.07 1w2mC1 TYR 290 HB3 -0.38 0.02 0.13 -0.04 2.98 2.71 1w2mC1 TYR 290 HD2 -0.01 -0.03 -0.16 -0.04 7.15 6.92 1w2mC1 TYR 290 HE2 0.09 0.08 0.08 -0.04 6.85 7.05 1w2mC1 ASP 291 H -0.00 0.61 -0.19 -0.55 8.40 8.27 1w2mC1 ASP 291 HA -0.00 -0.03 0.32 -0.75 4.63 4.16 1w2mC1 ASP 291 HB2 -0.04 0.15 0.09 -0.04 2.71 2.86 1w2mC1 ASP 291 HB3 -0.04 -0.05 -0.01 -0.04 2.70 2.55 1w2mC1 ILE 292 H -0.10 0.38 -0.34 -0.55 8.25 7.64 1w2mC1 ILE 292 HA -0.11 0.03 0.53 -0.75 4.18 3.87 1w2mC1 ILE 292 HB -0.15 0.18 0.12 -0.04 1.89 2.00 1w2mC1 ILE 292 HG12 -0.10 -0.06 0.05 -0.04 1.49 1.34 1w2mC1 ILE 292 HG13 -0.10 0.08 0.07 -0.04 1.21 1.23 1w2mC1 ILE 292 HG23 -0.15 0.00 -0.14 -0.04 0.93 0.60 1w2mC1 ILE 292 HD13 -0.14 0.01 -0.09 -0.04 0.88 0.62 1w2mC1 VAL 293 H -0.21 0.46 -0.13 -0.55 8.24 7.81 1w2mC1 VAL 293 HA -0.24 0.02 0.32 -0.75 4.13 3.47 1w2mC1 VAL 293 HB -0.39 0.09 0.04 -0.04 2.12 1.83 1w2mC1 VAL 293 HG13 -0.22 -0.03 -0.29 -0.04 0.97 0.38 1w2mC1 VAL 293 HG23 -0.24 0.04 -0.12 -0.04 0.95 0.59 1w2mC1 LEU 294 H -0.31 0.65 -0.07 -0.55 8.37 8.09 1w2mC1 LEU 294 HA -0.18 0.04 0.36 -0.75 4.35 3.83 1w2mC1 LEU 294 HB2 -0.23 0.07 0.06 -0.04 1.64 1.50 1w2mC1 LEU 294 HB3 -0.09 0.04 0.13 -0.04 1.64 1.69 1w2mC1 LEU 294 HG -0.02 -0.02 -0.28 -0.04 1.64 1.27 1w2mC1 LEU 294 HD13 0.03 0.01 -0.04 -0.04 0.93 0.89 1w2mC1 LEU 294 HD23 0.09 -0.01 0.02 -0.04 0.89 0.94 1w2mC1 GLU 295 H -0.11 0.63 -0.16 -0.55 8.60 8.41 1w2mC1 GLU 295 HA -0.06 -0.03 0.43 -0.75 4.29 3.88 1w2mC1 GLU 295 HB2 -0.07 0.02 0.15 -0.04 2.09 2.16 1w2mC1 GLU 295 HB3 -0.09 0.14 0.17 -0.04 1.99 2.17 1w2mC1 GLU 295 HG2 -0.08 -0.00 -0.20 -0.04 2.34 2.02 1w2mC1 GLU 295 HG3 -0.06 -0.06 0.04 -0.04 2.34 2.22 1w2mC1 SER 296 H -0.14 0.49 -0.34 -0.55 8.46 7.92 1w2mC1 SER 296 HA -0.12 -0.02 0.46 -0.75 4.49 4.05 1w2mC1 SER 296 HB2 -0.20 0.20 0.17 -0.04 3.95 4.07 1w2mC1 SER 296 HB3 -0.20 -0.09 0.06 -0.04 3.93 3.65 1w2mC1 LEU 297 H -0.11 0.51 -0.10 -0.55 8.37 8.12 1w2mC1 LEU 297 HA -0.03 0.02 0.44 -0.75 4.35 4.02 1w2mC1 LEU 297 HB2 -0.06 0.12 0.11 -0.04 1.64 1.76 1w2mC1 LEU 297 HB3 -0.06 0.05 0.17 -0.04 1.64 1.76 1w2mC1 LEU 297 HG -0.00 -0.06 -0.29 -0.04 1.64 1.25 1w2mC1 LEU 297 HD13 0.02 0.01 0.03 -0.04 0.93 0.95 1w2mC1 LEU 297 HD23 0.00 0.02 -0.17 -0.04 0.89 0.70 1w2mC1 GLU 298 H -0.05 0.76 -0.02 -0.55 8.60 8.75 1w2mC1 GLU 298 HA -0.01 0.00 0.35 -0.75 4.29 3.88 1w2mC1 GLU 298 HB2 -0.03 0.10 0.15 -0.04 2.09 2.26 1w2mC1 GLU 298 HB3 -0.02 -0.04 0.00 -0.04 1.99 1.89 1w2mC1 GLU 298 HG2 0.00 -0.04 0.01 -0.04 2.34 2.28 1w2mC1 GLU 298 HG3 -0.01 0.05 0.02 -0.04 2.34 2.36 1w2mC1 THR 299 H -0.05 0.58 -0.23 -0.55 8.28 8.03 1w2mC1 THR 299 HA -0.04 0.00 0.44 -0.75 4.39 4.03 1w2mC1 THR 299 HB -0.08 0.13 0.10 -0.04 4.32 4.43 1w2mC1 THR 299 HG23 -0.07 -0.03 -0.09 -0.04 1.22 0.99 1w2mC1 SER 300 H -0.06 0.47 -0.21 -0.55 8.46 8.11 1w2mC1 SER 300 HA -0.22 -0.02 0.44 -0.75 4.49 3.94 1w2mC1 SER 300 HB2 0.01 0.13 0.17 -0.04 3.95 4.22 1w2mC1 SER 300 HB3 -0.01 -0.07 0.01 -0.04 3.93 3.82 1w2mC1 LEU 301 H 0.02 0.52 -0.19 -0.55 8.37 8.17 1w2mC1 LEU 301 HA 0.13 0.01 0.34 -0.75 4.35 4.07 1w2mC1 LEU 301 HB2 0.02 0.15 0.09 -0.04 1.64 1.86 1w2mC1 LEU 301 HB3 0.04 -0.06 -0.04 -0.04 1.64 1.54 1w2mC1 LEU 301 HG 0.05 0.23 0.03 -0.04 1.64 1.91 1w2mC1 LEU 301 HD13 0.02 -0.04 -0.08 -0.04 0.93 0.80 1w2mC1 LEU 301 HD23 0.07 -0.03 -0.11 -0.04 0.89 0.78 1w2mC1 ARG 302 H -0.01 0.32 -0.25 -0.55 8.46 7.97 1w2mC1 ARG 302 HA 0.01 0.02 0.50 -0.75 4.34 4.12 1w2mC1 ARG 302 HB2 -0.02 0.07 0.16 -0.04 1.90 2.07 1w2mC1 ARG 302 HB3 -0.01 -0.06 0.03 -0.04 1.80 1.72 1w2mC1 ARG 302 HG2 0.00 -0.04 0.03 -0.04 1.67 1.61 1w2mC1 ARG 302 HG3 -0.01 0.21 0.08 -0.04 1.67 1.91 1w2mC1 ARG 302 HD2 -0.01 -0.02 0.00 -0.04 3.22 3.14 1w2mC1 ARG 302 HD3 -0.01 -0.06 -0.01 -0.04 3.22 3.10 1w2mC1 LEU 303 H -0.06 0.39 -0.23 -0.55 8.37 7.93 1w2mC1 LEU 303 HA -0.03 0.03 0.21 -0.75 4.35 3.80 1w2mC1 LEU 303 HB2 -0.21 0.05 0.12 -0.04 1.64 1.56 1w2mC1 LEU 303 HB3 -0.14 -0.12 -0.05 -0.04 1.64 1.30 1w2mC1 LEU 303 HG -0.07 0.06 0.02 -0.04 1.64 1.61 1w2mC1 LEU 303 HD13 -0.12 -0.04 -0.08 -0.04 0.93 0.65 1w2mC1 LEU 303 HD23 -0.05 -0.02 -0.04 -0.04 0.89 0.74 1w2mC1 TYR 304 H 0.04 0.52 -0.13 -0.55 8.29 8.16 1w2mC1 TYR 304 HA 0.02 -0.12 0.21 -0.75 4.56 3.93 1w2mC1 TYR 304 HB2 0.02 0.10 0.02 -0.04 3.06 3.15 1w2mC1 TYR 304 HB3 0.03 -0.05 -0.20 -0.04 2.98 2.72 1w2mC1 TYR 304 HD2 0.02 0.01 -0.19 -0.04 7.15 6.95 1w2mC1 TYR 304 HE2 0.00 -0.06 -0.21 -0.04 6.85 6.54 1w2mC1 ARG 305 H 0.20 0.18 0.18 -0.55 8.46 8.47 1w2mC1 ARG 305 HA 0.09 0.20 0.50 -0.75 4.34 4.38 1w2mC1 ARG 305 HB2 0.05 -0.01 -0.03 -0.04 1.90 1.87 1w2mC1 ARG 305 HB3 0.06 0.14 -0.32 -0.04 1.80 1.64 1w2mC1 ARG 305 HG2 0.06 -0.02 -0.07 -0.04 1.67 1.60 1w2mC1 ARG 305 HG3 0.05 0.20 -0.27 -0.04 1.67 1.61 1w2mC1 ARG 305 HD2 0.02 -0.12 -0.06 -0.04 3.22 3.03 1w2mC1 ARG 305 HD3 0.03 -0.03 -0.06 -0.04 3.22 3.12 1w2mC1 PRO 306 HA 0.08 0.19 0.49 -0.51 4.44 4.70 1w2mC1 PRO 306 HB2 0.05 -0.01 0.08 -0.04 2.28 2.36 1w2mC1 PRO 306 HB3 0.06 0.00 0.16 -0.04 2.02 2.20 1w2mC1 PRO 306 HG2 0.05 0.14 0.13 -0.04 2.03 2.30 1w2mC1 PRO 306 HG3 0.06 -0.05 -0.02 -0.04 2.03 1.98 1w2mC1 PRO 306 HD2 0.05 0.07 0.08 -0.04 3.68 3.84 1w2mC1 PRO 306 HD3 0.06 0.25 0.18 -0.04 3.65 4.10 1w2mC1 GLY 307 H 0.08 0.39 0.33 -0.55 8.43 8.69 1w2mC1 GLY 307 HA2 0.06 -0.05 0.38 -0.51 4.01 3.89 1w2mC1 GLY 307 HA3 0.05 0.14 0.58 -0.51 4.01 4.27 1w2mC1 THR 308 H 0.09 0.35 -0.19 -0.55 8.28 7.98 1w2mC1 THR 308 HA 0.05 0.14 0.84 -0.75 4.39 4.67 1w2mC1 THR 308 HB 0.04 0.08 -0.00 -0.04 4.32 4.39 1w2mC1 THR 308 HG23 0.09 0.09 -0.05 -0.04 1.22 1.31 1w2mC1 SER 309 H 0.06 0.14 0.21 -0.55 8.46 8.32 1w2mC1 SER 309 HA 0.16 0.27 0.65 -0.75 4.49 4.82 1w2mC1 SER 309 HB2 0.10 0.14 0.04 -0.04 3.95 4.19 1w2mC1 SER 309 HB3 0.09 0.17 -0.35 -0.04 3.93 3.81 1w2mC1 ILE 310 H 0.13 0.37 0.19 -0.55 8.25 8.39 1w2mC1 ILE 310 HA 0.27 0.05 0.50 -0.75 4.18 4.26 1w2mC1 ILE 310 HB 0.01 0.21 0.25 -0.04 1.89 2.32 1w2mC1 ILE 310 HG12 -0.00 0.01 -0.01 -0.04 1.49 1.44 1w2mC1 ILE 310 HG13 0.05 -0.03 0.03 -0.04 1.21 1.22 1w2mC1 ILE 310 HG23 0.01 0.01 -0.02 -0.04 0.93 0.88 1w2mC1 ILE 310 HD13 -0.42 0.04 -0.05 -0.04 0.88 0.41 1w2mC1 LEU 311 H 0.05 0.44 -0.06 -0.55 8.37 8.26 1w2mC1 LEU 311 HA 0.01 0.07 0.45 -0.75 4.35 4.14 1w2mC1 LEU 311 HB2 0.02 0.30 -0.16 -0.04 1.64 1.77 1w2mC1 LEU 311 HB3 0.03 -0.08 -0.04 -0.04 1.64 1.52 1w2mC1 LEU 311 HG 0.01 -0.04 -0.29 -0.04 1.64 1.27 1w2mC1 LEU 311 HD13 0.00 0.01 0.03 -0.04 0.93 0.94 1w2mC1 LEU 311 HD23 0.02 0.00 -0.08 -0.04 0.89 0.80 1w2mC1 GLU 312 H 0.03 0.10 -0.23 -0.55 8.60 7.95 1w2mC1 GLU 312 HA -0.01 0.06 0.36 -0.75 4.29 3.94 1w2mC1 GLU 312 HB2 0.01 0.03 0.10 -0.04 2.09 2.19 1w2mC1 GLU 312 HB3 0.01 -0.07 0.18 -0.04 1.99 2.06 1w2mC1 GLU 312 HG2 -0.03 0.04 -0.15 -0.04 2.34 2.16 1w2mC1 GLU 312 HG3 -0.02 -0.03 0.03 -0.04 2.34 2.29 1w2mC1 VAL 313 H -0.05 0.47 -0.14 -0.55 8.24 7.97 1w2mC1 VAL 313 HA -0.15 0.03 0.37 -0.75 4.13 3.63 1w2mC1 VAL 313 HB -0.31 0.07 0.12 -0.04 2.12 1.96 1w2mC1 VAL 313 HG13 -0.49 0.00 -0.05 -0.04 0.97 0.39 1w2mC1 VAL 313 HG23 -0.49 0.02 -0.04 -0.04 0.95 0.40 1w2mC1 THR 314 H -0.02 0.60 -0.15 -0.55 8.28 8.16 1w2mC1 THR 314 HA 0.01 -0.02 0.46 -0.75 4.39 4.08 1w2mC1 THR 314 HB 0.01 0.19 0.24 -0.04 4.32 4.72 1w2mC1 THR 314 HG23 0.07 -0.02 -0.05 -0.04 1.22 1.18 1w2mC1 GLY 315 H -0.03 0.53 -0.20 -0.55 8.43 8.18 1w2mC1 GLY 315 HA2 -0.04 -0.03 0.41 -0.51 4.01 3.85 1w2mC1 GLY 315 HA3 -0.03 0.09 0.31 -0.51 4.01 3.86 1w2mC1 GLU 316 H -0.07 0.40 -0.18 -0.55 8.60 8.21 1w2mC1 GLU 316 HA -0.06 0.01 0.60 -0.75 4.29 4.08 1w2mC1 GLU 316 HB2 -0.10 0.17 0.11 -0.04 2.09 2.24 1w2mC1 GLU 316 HB3 -0.08 -0.06 0.03 -0.04 1.99 1.84 1w2mC1 GLU 316 HG2 -0.06 0.12 0.08 -0.04 2.34 2.44 1w2mC1 GLU 316 HG3 -0.08 0.01 0.01 -0.04 2.34 2.24 1w2mC1 VAL 317 H -0.09 0.52 -0.06 -0.55 8.24 8.06 1w2mC1 VAL 317 HA -0.13 0.02 0.51 -0.75 4.13 3.77 1w2mC1 VAL 317 HB -0.08 0.13 0.21 -0.04 2.12 2.34 1w2mC1 VAL 317 HG13 -0.30 -0.02 -0.09 -0.04 0.97 0.52 1w2mC1 VAL 317 HG23 -0.11 0.03 0.05 -0.04 0.95 0.88 1w2mC1 VAL 318 H -0.11 0.63 -0.05 -0.55 8.24 8.16 1w2mC1 VAL 318 HA -0.26 0.03 0.39 -0.75 4.13 3.53 1w2mC1 VAL 318 HB -0.16 0.12 0.16 -0.04 2.12 2.20 1w2mC1 VAL 318 HG13 -0.38 -0.02 -0.08 -0.04 0.97 0.45 1w2mC1 VAL 318 HG23 -0.34 0.04 0.02 -0.04 0.95 0.63 1w2mC1 ARG 319 H -0.10 0.45 -0.27 -0.55 8.46 7.99 1w2mC1 ARG 319 HA -0.06 -0.05 0.39 -0.75 4.34 3.86 1w2mC1 ARG 319 HB2 -0.05 -0.01 0.12 -0.04 1.90 1.92 1w2mC1 ARG 319 HB3 -0.06 0.20 0.21 -0.04 1.80 2.11 1w2mC1 ARG 319 HG2 -0.05 0.04 -0.21 -0.04 1.67 1.41 1w2mC1 ARG 319 HG3 -0.04 -0.12 -0.03 -0.04 1.67 1.44 1w2mC1 ARG 319 HD2 -0.04 0.05 0.01 -0.04 3.22 3.20 1w2mC1 ARG 319 HD3 -0.03 -0.03 -0.02 -0.04 3.22 3.09 1w2mC1 ILE 320 H -0.09 0.53 -0.14 -0.55 8.25 7.99 1w2mC1 ILE 320 HA -0.07 -0.03 0.42 -0.75 4.18 3.74 1w2mC1 ILE 320 HB -0.12 0.15 0.19 -0.04 1.89 2.08 1w2mC1 ILE 320 HG12 -0.07 -0.06 0.01 -0.04 1.49 1.32 1w2mC1 ILE 320 HG13 -0.07 -0.03 0.05 -0.04 1.21 1.12 1w2mC1 ILE 320 HG23 -0.11 -0.02 -0.15 -0.04 0.93 0.61 1w2mC1 ILE 320 HD13 -0.09 0.02 -0.09 -0.04 0.88 0.67 1w2mC1 MET 321 H -0.13 0.63 -0.17 -0.55 8.47 8.25 1w2mC1 MET 321 HA -0.12 0.01 0.35 -0.75 4.52 4.00 1w2mC1 MET 321 HB2 -0.13 0.09 0.17 -0.04 2.15 2.25 1w2mC1 MET 321 HB3 -0.06 -0.05 -0.03 -0.04 2.03 1.85 1w2mC1 MET 321 HG2 -0.23 -0.05 -0.07 -0.04 2.63 2.24 1w2mC1 MET 321 HG3 -0.24 0.06 -0.01 -0.04 2.56 2.33 1w2mC1 MET 321 HE3 -1.05 -0.01 -0.03 -0.04 2.10 0.98 1w2mC1 VAL 322 H -0.07 0.72 -0.04 -0.55 8.24 8.31 1w2mC1 VAL 322 HA 0.01 0.02 0.33 -0.75 4.13 3.73 1w2mC1 VAL 322 HB -0.03 0.10 0.11 -0.04 2.12 2.26 1w2mC1 VAL 322 HG13 0.02 -0.02 -0.17 -0.04 0.97 0.76 1w2mC1 VAL 322 HG23 0.05 0.02 -0.07 -0.04 0.95 0.91 1w2mC1 SER 323 H -0.05 0.68 -0.09 -0.55 8.46 8.45 1w2mC1 SER 323 HA -0.03 -0.06 0.40 -0.75 4.49 4.04 1w2mC1 SER 323 HB2 -0.05 0.12 0.12 -0.04 3.95 4.09 1w2mC1 SER 323 HB3 -0.04 -0.07 0.04 -0.04 3.93 3.82 1w2mC1 GLY 324 H -0.07 0.61 -0.19 -0.55 8.43 8.23 1w2mC1 GLY 324 HA2 -0.07 -0.02 0.35 -0.51 4.01 3.76 1w2mC1 GLY 324 HA3 -0.10 0.10 0.33 -0.51 4.01 3.83 1w2mC1 LEU 325 H -0.09 0.63 -0.16 -0.55 8.37 8.20 1w2mC1 LEU 325 HA -0.21 0.00 0.34 -0.75 4.35 3.73 1w2mC1 LEU 325 HB2 -0.07 0.10 0.08 -0.04 1.64 1.71 1w2mC1 LEU 325 HB3 -0.18 -0.12 -0.05 -0.04 1.64 1.24 1w2mC1 LEU 325 HG -0.12 0.26 0.05 -0.04 1.64 1.79 1w2mC1 LEU 325 HD13 -0.04 -0.01 -0.11 -0.04 0.93 0.72 1w2mC1 LEU 325 HD23 -0.33 -0.02 -0.06 -0.04 0.89 0.44 1w2mC1 VAL 326 H -0.06 0.53 -0.22 -0.55 8.24 7.94 1w2mC1 VAL 326 HA -0.04 0.26 0.58 -0.75 4.13 4.18 1w2mC1 VAL 326 HB -0.03 0.10 0.13 -0.04 2.12 2.28 1w2mC1 VAL 326 HG13 -0.01 -0.02 -0.07 -0.04 0.97 0.82 1w2mC1 VAL 326 HG23 -0.01 0.01 -0.21 -0.04 0.95 0.70 1w2mC1 LYS 327 H -0.05 0.51 -0.04 -0.55 8.42 8.29 1w2mC1 LYS 327 HA -0.02 -0.01 0.43 -0.75 4.32 3.96 1w2mC1 LYS 327 HB2 -0.05 0.13 0.16 -0.04 1.87 2.07 1w2mC1 LYS 327 HB3 -0.03 -0.07 0.06 -0.04 1.79 1.71 1w2mC1 LYS 327 HG2 -0.03 -0.06 0.08 -0.04 1.46 1.42 1w2mC1 LYS 327 HG3 -0.04 0.08 0.04 -0.04 1.46 1.50 1w2mC1 LYS 327 HD2 -0.03 -0.01 0.01 -0.04 1.69 1.62 1w2mC1 LYS 327 HD3 -0.02 -0.03 0.03 -0.04 1.68 1.61 1w2mC1 LYS 327 HE2 -0.03 -0.01 -0.01 -0.04 2.99 2.91 1w2mC1 LYS 327 HE3 -0.03 -0.01 -0.03 -0.04 2.99 2.88 1w2mC1 LEU 328 H -0.09 0.36 -0.26 -0.55 8.37 7.83 1w2mC1 LEU 328 HA 0.01 0.04 0.30 -0.75 4.35 3.94 1w2mC1 LEU 328 HB2 -0.29 0.01 0.07 -0.04 1.64 1.39 1w2mC1 LEU 328 HB3 -0.25 -0.07 0.08 -0.04 1.64 1.36 1w2mC1 LEU 328 HG -0.12 0.25 0.05 -0.04 1.64 1.78 1w2mC1 LEU 328 HD13 -0.29 -0.01 -0.15 -0.04 0.93 0.44 1w2mC1 LEU 328 HD23 0.03 -0.02 -0.07 -0.04 0.89 0.78 1w2mC1 GLY 329 H -0.05 0.38 -0.55 -0.55 8.43 7.67 1w2mC1 GLY 329 HA2 -0.01 0.10 0.32 -0.51 4.01 3.91 1w2mC1 GLY 329 HA3 0.02 0.00 0.56 -0.51 4.01 4.08 1w2mC1 ILE 330 H -0.15 0.25 -0.11 -0.55 8.25 7.69 1w2mC1 ILE 330 HA -0.10 0.04 0.52 -0.75 4.18 3.90 1w2mC1 ILE 330 HB -0.34 -0.00 0.10 -0.04 1.89 1.60 1w2mC1 ILE 330 HG12 -0.33 -0.01 -0.05 -0.04 1.49 1.06 1w2mC1 ILE 330 HG13 -0.45 0.03 -0.15 -0.04 1.21 0.61 1w2mC1 ILE 330 HG23 -0.63 -0.01 -0.14 -0.04 0.93 0.11 1w2mC1 ILE 330 HD13 -0.94 -0.01 -0.05 -0.04 0.88 -0.17 1w2mC1 LEU 331 H -0.09 0.33 -0.20 -0.55 8.37 7.86 1w2mC1 LEU 331 HA 0.04 0.20 0.70 -0.75 4.35 4.54 1w2mC1 LEU 331 HB2 -0.01 -0.06 -0.23 -0.04 1.64 1.30 1w2mC1 LEU 331 HB3 0.04 -0.03 -0.15 -0.04 1.64 1.45 1w2mC1 LEU 331 HG 0.05 -0.02 -0.25 -0.04 1.64 1.38 1w2mC1 LEU 331 HD13 0.10 -0.01 -0.21 -0.04 0.93 0.76 1w2mC1 LEU 331 HD23 0.21 0.08 -0.01 -0.04 0.89 1.13 1w2mC1 LYS 332 H 0.03 0.23 0.06 -0.55 8.42 8.18 1w2mC1 LYS 332 HA 0.00 0.19 0.90 -0.75 4.32 4.66 1w2mC1 LYS 332 HB2 0.02 -0.01 0.07 -0.04 1.87 1.90 1w2mC1 LYS 332 HB3 0.01 -0.04 -0.03 -0.04 1.79 1.69 1w2mC1 LYS 332 HG2 0.01 0.16 -0.35 -0.04 1.46 1.23 1w2mC1 LYS 332 HG3 0.02 0.05 -0.13 -0.04 1.46 1.35 1w2mC1 LYS 332 HD2 0.01 -0.05 -0.02 -0.04 1.69 1.58 1w2mC1 LYS 332 HD3 0.01 -0.04 0.01 -0.04 1.68 1.62 1w2mC1 LYS 332 HE2 0.01 -0.01 0.01 -0.04 2.99 2.96 1w2mC1 LYS 332 HE3 0.02 0.15 -0.02 -0.04 2.99 3.10 1w2mC1 GLY 333 H 0.00 0.26 0.13 -0.55 8.43 8.27 1w2mC1 GLY 333 HA2 0.01 0.02 0.24 -0.51 4.01 3.76 1w2mC1 GLY 333 HA3 0.01 0.20 0.88 -0.51 4.01 4.58 1w2mC1 ASP 334 H 0.01 0.15 0.13 -0.55 8.40 8.14 1w2mC1 ASP 334 HA -0.00 0.16 0.69 -0.75 4.63 4.73 1w2mC1 ASP 334 HB2 0.00 0.10 0.10 -0.04 2.71 2.87 1w2mC1 ASP 334 HB3 0.00 -0.02 0.15 -0.04 2.70 2.80 1w2mC1 VAL 335 H -0.00 0.21 0.15 -0.55 8.24 8.05 1w2mC1 VAL 335 HA 0.00 0.13 0.15 -0.75 4.13 3.66 1w2mC1 VAL 335 HB -0.01 -0.04 0.14 -0.04 2.12 2.17 1w2mC1 VAL 335 HG13 -0.02 0.02 -0.16 -0.04 0.97 0.77 1w2mC1 VAL 335 HG23 -0.02 0.04 -0.01 -0.04 0.95 0.92 1w2mC1 ASP 336 H -0.00 0.10 -0.08 -0.55 8.40 7.87 1w2mC1 ASP 336 HA -0.00 0.13 0.42 -0.75 4.63 4.42 1w2mC1 ASP 336 HB2 -0.00 -0.04 0.06 -0.04 2.71 2.69 1w2mC1 ASP 336 HB3 -0.00 0.07 -0.01 -0.04 2.70 2.72 1w2mC1 GLU 337 H 0.01 0.07 -0.26 -0.55 8.60 7.87 1w2mC1 GLU 337 HA 0.01 0.11 0.50 -0.75 4.29 4.15 1w2mC1 GLU 337 HB2 0.01 -0.04 0.11 -0.04 2.09 2.12 1w2mC1 GLU 337 HB3 0.01 0.07 -0.05 -0.04 1.99 1.98 1w2mC1 GLU 337 HG2 0.01 0.05 0.03 -0.04 2.34 2.39 1w2mC1 GLU 337 HG3 0.00 -0.03 -0.00 -0.04 2.34 2.27 1w2mC1 LEU 338 H 0.02 0.46 -0.18 -0.55 8.37 8.12 1w2mC1 LEU 338 HA 0.03 0.08 0.42 -0.75 4.35 4.12 1w2mC1 LEU 338 HB2 0.03 0.10 0.00 -0.04 1.64 1.73 1w2mC1 LEU 338 HB3 0.05 -0.05 -0.10 -0.04 1.64 1.50 1w2mC1 LEU 338 HG 0.02 -0.02 -0.10 -0.04 1.64 1.50 1w2mC1 LEU 338 HD13 0.02 -0.02 -0.57 -0.04 0.93 0.32 1w2mC1 LEU 338 HD23 0.04 0.05 -0.05 -0.04 0.89 0.89 1w2mC1 ILE 339 H 0.02 0.50 -0.14 -0.55 8.25 8.09 1w2mC1 ILE 339 HA 0.08 -0.02 0.46 -0.75 4.18 3.95 1w2mC1 ILE 339 HB 0.01 0.09 0.14 -0.04 1.89 2.09 1w2mC1 ILE 339 HG12 -0.03 -0.02 -0.08 -0.04 1.49 1.32 1w2mC1 ILE 339 HG13 0.00 0.07 0.03 -0.04 1.21 1.27 1w2mC1 ILE 339 HG23 0.00 -0.00 -0.13 -0.04 0.93 0.76 1w2mC1 ILE 339 HD13 -0.02 -0.02 -0.05 -0.04 0.88 0.74 1w2mC1 ALA 340 H 0.02 0.33 -0.31 -0.55 8.40 7.90 1w2mC1 ALA 340 HA 0.02 0.05 0.41 -0.75 4.34 4.06 1w2mC1 ALA 340 HB3 0.01 0.02 0.12 -0.04 1.41 1.52 1w2mC1 GLN 341 H 0.03 0.28 -0.35 -0.55 8.47 7.88 1w2mC1 GLN 341 HA 0.01 0.13 0.69 -0.75 4.36 4.43 1w2mC1 GLN 341 HB2 0.02 -0.00 0.07 -0.04 2.15 2.20 1w2mC1 GLN 341 HB3 0.00 -0.02 0.14 -0.04 2.02 2.09 1w2mC1 GLN 341 HG2 0.00 -0.03 -0.00 -0.04 2.40 2.33 1w2mC1 GLN 341 HG3 0.01 0.04 -0.03 -0.04 2.39 2.36 1w2mC1 GLN 341 HE21 0.01 -0.06 -0.05 -0.04 6.97 6.82 1w2mC1 GLN 341 HE22 0.01 -0.02 -0.03 -0.04 7.69 7.61 1w2mC1 ASN 342 H 0.06 0.38 -0.52 -0.55 8.53 7.90 1w2mC1 ASN 342 HA 0.18 0.02 0.35 -0.75 4.76 4.55 1w2mC1 ASN 342 HB2 -0.05 0.09 -0.03 -0.04 2.88 2.85 1w2mC1 ASN 342 HB3 -0.15 -0.07 0.20 -0.04 2.79 2.73 1w2mC1 ASN 342 HD21 0.02 -0.03 -0.02 -0.04 7.03 6.96 1w2mC1 ASN 342 HD22 -0.01 -0.00 -0.11 -0.04 7.74 7.58 1w2mC1 ALA 343 H 0.09 0.54 -0.07 -0.55 8.40 8.41 1w2mC1 ALA 343 HA -0.02 0.14 0.28 -0.75 4.34 4.00 1w2mC1 ALA 343 HB3 0.07 -0.02 0.02 -0.04 1.41 1.44 1w2mC1 HIS 344 H 0.24 0.05 -0.39 -0.55 8.41 7.77 1w2mC1 HIS 344 HA 0.22 0.10 0.55 -0.75 4.63 4.75 1w2mC1 HIS 344 HB2 0.14 0.01 0.05 -0.04 3.26 3.43 1w2mC1 HIS 344 HB3 0.08 -0.05 0.01 -0.04 3.20 3.20 1w2mC1 HIS 344 HD2 0.30 0.09 -0.09 -0.04 6.97 7.22 1w2mC1 HIS 344 HE1 0.01 0.01 0.02 -0.04 7.75 7.75 1w2mC1 ARG 345 H -0.36 0.44 -0.29 -0.55 8.46 7.70 1w2mC1 ARG 345 HA -0.30 0.23 0.10 -0.75 4.34 3.62 1w2mC1 ARG 345 HB2 -0.29 0.27 0.18 -0.04 1.90 2.02 1w2mC1 ARG 345 HB3 -0.21 -0.05 -0.07 -0.04 1.80 1.43 1w2mC1 ARG 345 HG2 -0.26 0.01 0.05 -0.04 1.67 1.43 1w2mC1 ARG 345 HG3 -0.65 -0.07 0.02 -0.04 1.67 0.93 1w2mC1 ARG 345 HD2 -0.19 0.09 0.08 -0.04 3.22 3.16 1w2mC1 ARG 345 HD3 -0.15 -0.04 0.02 -0.04 3.22 3.01 1w2mC1 PRO 346 HA -0.26 0.05 0.55 -0.51 4.44 4.27 1w2mC1 PRO 346 HB2 -1.54 0.05 -0.05 -0.04 2.28 0.70 1w2mC1 PRO 346 HB3 -0.47 -0.03 0.09 -0.04 2.02 1.56 1w2mC1 PRO 346 HG2 -0.35 0.08 0.04 -0.04 2.03 1.76 1w2mC1 PRO 346 HG3 -0.25 -0.01 0.04 -0.04 2.03 1.78 1w2mC1 PRO 346 HD2 -0.27 0.26 -0.30 -0.04 3.68 3.33 1w2mC1 PRO 346 HD3 -0.22 0.11 0.05 -0.04 3.65 3.54 1w2mC1 PHE 347 H -0.17 0.34 -0.41 -0.55 8.34 7.55 1w2mC1 PHE 347 HA 0.12 0.35 0.84 -0.75 4.62 5.18 1w2mC1 PHE 347 HB2 0.06 0.08 0.04 -0.04 3.15 3.29 1w2mC1 PHE 347 HB3 0.02 -0.13 0.03 -0.04 3.06 2.94 1w2mC1 PHE 347 HD2 0.04 0.12 -0.03 -0.04 7.28 7.37 1w2mC1 PHE 347 HE2 0.01 -0.02 -0.05 -0.04 7.38 7.27 1w2mC1 PHE 347 HZ 0.01 0.04 -0.06 -0.04 7.32 7.26 1w2mC1 PHE 348 H 0.19 0.40 -0.01 -0.55 8.34 8.37 1w2mC1 PHE 348 HA 0.13 0.09 0.76 -0.75 4.62 4.85 1w2mC1 PHE 348 HB2 0.04 0.10 0.04 -0.04 3.15 3.29 1w2mC1 PHE 348 HB3 0.20 -0.06 0.12 -0.04 3.06 3.28 1w2mC1 PHE 348 HD2 -0.03 -0.01 0.05 -0.04 7.28 7.25 1w2mC1 PHE 348 HE2 -0.26 0.02 -0.04 -0.04 7.38 7.05 1w2mC1 PHE 348 HZ -0.09 -0.10 -0.23 -0.04 7.32 6.86 1w2mC1 MET 349 H 0.03 0.12 -0.00 -0.55 8.47 8.07 1w2mC1 MET 349 HA -0.21 0.19 0.66 -0.75 4.52 4.40 1w2mC1 MET 349 HB2 -0.09 -0.06 0.11 -0.04 2.15 2.06 1w2mC1 MET 349 HB3 -0.06 0.23 -0.06 -0.04 2.03 2.11 1w2mC1 MET 349 HG2 -0.02 -0.05 -0.23 -0.04 2.63 2.29 1w2mC1 MET 349 HG3 -0.04 -0.03 -0.04 -0.04 2.56 2.40 1w2mC1 MET 349 HE3 0.11 -0.01 -0.17 -0.04 2.10 1.98 1w2mC1 HIS 350 H -0.75 0.11 -0.07 -0.55 8.41 7.15 1w2mC1 HIS 350 HA -0.20 0.18 0.85 -0.75 4.63 4.72 1w2mC1 HIS 350 HB2 -0.09 -0.07 0.10 -0.04 3.26 3.17 1w2mC1 HIS 350 HB3 -0.10 -0.02 -0.08 -0.04 3.20 2.96 1w2mC1 HIS 350 HD2 0.03 -0.07 -0.10 -0.04 6.97 6.78 1w2mC1 HIS 350 HE1 0.30 0.52 0.00 -0.04 7.75 8.53 1w2mC1 GLY 351 H 0.00 0.07 0.06 -0.55 8.43 8.02 1w2mC1 GLY 351 HA2 -0.11 0.07 0.48 -0.51 4.01 3.94 1w2mC1 GLY 351 HA3 -0.05 0.02 0.27 -0.51 4.01 3.74 1w2mC1 LEU 352 H 0.07 0.10 0.14 -0.55 8.37 8.13 1w2mC1 LEU 352 HA 0.30 0.17 0.43 -0.75 4.35 4.49 1w2mC1 LEU 352 HB2 0.20 0.01 0.09 -0.04 1.64 1.90 1w2mC1 LEU 352 HB3 0.12 -0.00 0.09 -0.04 1.64 1.81 1w2mC1 LEU 352 HG 0.16 0.00 -0.16 -0.04 1.64 1.60 1w2mC1 LEU 352 HD13 0.05 -0.00 -0.03 -0.04 0.93 0.91 1w2mC1 LEU 352 HD23 0.05 0.00 -0.09 -0.04 0.89 0.81 1w2mC1 SER 353 H 0.01 0.09 -0.06 -0.55 8.46 7.95 1w2mC1 SER 353 HA -0.07 0.19 0.75 -0.75 4.49 4.61 1w2mC1 SER 353 HB2 -0.03 -0.16 0.01 -0.04 3.95 3.73 1w2mC1 SER 353 HB3 -0.17 0.04 -0.02 -0.04 3.93 3.75 1w2mC1 HIS 354 H -0.39 0.20 0.17 -0.55 8.41 7.85 1w2mC1 HIS 354 HA -0.12 0.13 0.67 -0.75 4.63 4.55 1w2mC1 HIS 354 HB2 0.09 0.04 0.14 -0.04 3.26 3.50 1w2mC1 HIS 354 HB3 -0.11 -0.04 0.02 -0.04 3.20 3.02 1w2mC1 HIS 354 HD2 0.01 -0.02 -0.18 -0.04 6.97 6.74 1w2mC1 HIS 354 HE1 0.11 0.03 -0.10 -0.04 7.75 7.74 1w2mC1 TRP 355 H -0.06 0.10 0.11 -0.55 7.97 7.58 1w2mC1 TRP 355 HA -0.01 0.23 0.74 -0.75 4.62 4.82 1w2mC1 TRP 355 HB2 -0.01 0.01 -0.10 -0.04 3.23 3.09 1w2mC1 TRP 355 HB3 -0.08 0.10 0.09 -0.04 3.23 3.30 1w2mC1 TRP 355 HD1 -0.48 0.15 -0.31 -0.04 7.22 6.54 1w2mC1 TRP 355 HE1 -1.11 -0.02 -0.59 -0.04 10.20 8.44 1w2mC1 TRP 355 HE3 -0.12 0.19 -0.05 -0.04 7.59 7.56 1w2mC1 TRP 355 HZ2 -0.22 0.06 -0.06 -0.04 7.44 7.17 1w2mC1 TRP 355 HZ3 -0.13 -0.03 -0.13 -0.04 7.13 6.80 1w2mC1 TRP 355 HH2 -0.07 0.01 -0.09 -0.04 7.19 7.00 1w2mC1 LEU 356 H 0.26 0.59 0.32 -0.55 8.37 8.99 1w2mC1 LEU 356 HA 0.25 0.28 0.92 -0.75 4.35 5.05 1w2mC1 LEU 356 HB2 0.13 0.00 -0.22 -0.04 1.64 1.52 1w2mC1 LEU 356 HB3 0.12 -0.07 -0.13 -0.04 1.64 1.52 1w2mC1 LEU 356 HG 0.15 0.04 -0.14 -0.04 1.64 1.65 1w2mC1 LEU 356 HD13 0.19 0.00 -0.12 -0.04 0.93 0.96 1w2mC1 LEU 356 HD23 0.09 0.00 -0.11 -0.04 0.89 0.83 1w2mC1 GLY 357 H 0.14 0.43 0.07 -0.55 8.43 8.52 1w2mC1 GLY 357 HA2 0.26 0.09 0.31 -0.51 4.01 4.16 1w2mC1 GLY 357 HA3 0.13 0.03 0.52 -0.51 4.01 4.18 1w2mC1 LEU 358 H -0.02 0.15 0.11 -0.55 8.37 8.06 1w2mC1 LEU 358 HA -0.30 0.28 0.46 -0.75 4.35 4.04 1w2mC1 LEU 358 HB2 -0.09 -0.11 0.05 -0.04 1.64 1.46 1w2mC1 LEU 358 HB3 -0.12 -0.00 0.07 -0.04 1.64 1.55 1w2mC1 LEU 358 HG -0.32 -0.02 0.00 -0.04 1.64 1.26 1w2mC1 LEU 358 HD13 0.19 -0.00 -0.00 -0.04 0.93 1.08 1w2mC1 LEU 358 HD23 -0.70 0.02 -0.18 -0.04 0.89 -0.01 1w2mC1 ASP 359 H -0.01 0.02 -0.25 -0.55 8.40 7.62 1w2mC1 ASP 359 HA -0.02 0.24 0.63 -0.75 4.63 4.72 1w2mC1 ASP 359 HB2 -0.01 -0.10 -0.15 -0.04 2.71 2.42 1w2mC1 ASP 359 HB3 -0.01 0.04 -0.17 -0.04 2.70 2.52 1w2mC1 VAL 360 H -0.03 0.20 0.00 -0.55 8.24 7.87 1w2mC1 VAL 360 HA 0.10 0.08 0.32 -0.75 4.13 3.87 1w2mC1 VAL 360 HB 0.10 0.07 -0.05 -0.04 2.12 2.20 1w2mC1 VAL 360 HG13 -0.43 -0.00 -0.07 -0.04 0.97 0.43 1w2mC1 VAL 360 HG23 -0.03 0.01 -0.18 -0.04 0.95 0.71 1w2mC1 HIS 361 H -0.18 0.04 -0.18 -0.55 8.41 7.54 1w2mC1 HIS 361 HA -0.15 0.22 0.70 -0.75 4.63 4.64 1w2mC1 HIS 361 HB2 -0.09 -0.08 0.12 -0.04 3.26 3.17 1w2mC1 HIS 361 HB3 -0.09 0.02 0.04 -0.04 3.20 3.13 1w2mC1 HIS 361 HD2 -0.15 -0.03 -0.03 -0.04 6.97 6.72 1w2mC1 HIS 361 HE1 -0.30 0.04 -0.14 -0.04 7.75 7.30 1w2mC1 ASP 362 H 0.31 0.73 -0.25 -0.55 8.40 8.65 1w2mC1 ASP 362 HA 0.07 -0.14 -0.01 -0.75 4.63 3.79 1w2mC1 ASP 362 HB2 0.18 0.08 -0.39 -0.04 2.71 2.54 1w2mC1 ASP 362 HB3 0.21 0.07 -0.38 -0.04 2.70 2.55 1w2mC1 VAL 363 H -0.07 -0.03 0.05 -0.55 8.24 7.64 1w2mC1 VAL 363 HA 0.00 0.10 0.44 -0.75 4.13 3.91 1w2mC1 VAL 363 HB -0.43 -0.09 0.07 -0.04 2.12 1.62 1w2mC1 VAL 363 HG13 -0.57 -0.01 0.01 -0.04 0.97 0.35 1w2mC1 VAL 363 HG23 -0.22 0.03 -0.12 -0.04 0.95 0.60 1w2mC1 GLY 364 H 0.04 -0.00 0.02 -0.55 8.43 7.95 1w2mC1 GLY 364 HA2 -0.08 -0.05 0.19 -0.51 4.01 3.55 1w2mC1 GLY 364 HA3 -0.47 0.28 0.68 -0.51 4.01 3.99 1w2mC1 VAL 365 H -0.01 0.15 0.08 -0.55 8.24 7.91 1w2mC1 VAL 365 HA 0.18 0.01 0.51 -0.75 4.13 4.07 1w2mC1 VAL 365 HB 0.07 0.08 0.14 -0.04 2.12 2.37 1w2mC1 VAL 365 HG13 0.12 -0.01 -0.10 -0.04 0.97 0.95 1w2mC1 VAL 365 HG23 0.09 0.01 0.02 -0.04 0.95 1.03 1w2mC1 TYR 366 H 0.37 0.11 0.22 -0.55 8.29 8.43 1w2mC1 TYR 366 HA 0.43 0.22 0.62 -0.75 4.56 5.08 1w2mC1 TYR 366 HB2 0.06 -0.03 0.15 -0.04 3.06 3.20 1w2mC1 TYR 366 HB3 -0.02 -0.09 0.11 -0.04 2.98 2.94 1w2mC1 TYR 366 HD2 -0.24 -0.05 0.07 -0.04 7.15 6.89 1w2mC1 TYR 366 HE2 -0.60 0.02 -0.00 -0.04 6.85 6.23 1w2mC1 GLY 367 H 0.20 -0.01 -0.11 -0.55 8.43 7.97 1w2mC1 GLY 367 HA2 0.11 0.04 0.31 -0.51 4.01 3.96 1w2mC1 GLY 367 HA3 0.13 0.15 0.56 -0.51 4.01 4.35 1w2mC1 GLN 368 H 0.07 0.16 0.09 -0.55 8.47 8.24 1w2mC1 GLN 368 HA 0.04 0.03 0.47 -0.75 4.36 4.15 1w2mC1 GLN 368 HB2 0.04 0.02 0.13 -0.04 2.15 2.30 1w2mC1 GLN 368 HB3 0.04 0.02 0.13 -0.04 2.02 2.17 1w2mC1 GLN 368 HG2 0.02 0.05 -0.21 -0.04 2.40 2.22 1w2mC1 GLN 368 HG3 0.02 -0.00 0.04 -0.04 2.39 2.40 1w2mC1 GLN 368 HE21 0.01 0.02 -0.02 -0.04 6.97 6.94 1w2mC1 GLN 368 HE22 0.01 0.01 -0.04 -0.04 7.69 7.63 1w2mC1 ASP 369 H 0.00 0.14 0.19 -0.55 8.40 8.19 1w2mC1 ASP 369 HA -0.03 0.05 0.31 -0.75 4.63 4.20 1w2mC1 ASP 369 HB2 0.01 0.13 -0.14 -0.04 2.71 2.67 1w2mC1 ASP 369 HB3 -0.01 0.03 0.16 -0.04 2.70 2.84 1w2mC1 ARG 370 H 0.03 0.37 -0.43 -0.55 8.46 7.88 1w2mC1 ARG 370 HA 0.12 0.19 0.23 -0.75 4.34 4.14 1w2mC1 ARG 370 HB2 -0.04 0.08 0.19 -0.04 1.90 2.09 1w2mC1 ARG 370 HB3 -0.04 -0.01 0.21 -0.04 1.80 1.92 1w2mC1 ARG 370 HG2 -0.28 0.00 -0.03 -0.04 1.67 1.32 1w2mC1 ARG 370 HG3 -0.15 -0.06 -0.46 -0.04 1.67 0.96 1w2mC1 ARG 370 HD2 -0.20 -0.05 0.02 -0.04 3.22 2.95 1w2mC1 ARG 370 HD3 -0.60 0.08 0.06 -0.04 3.22 2.72 1w2mC1 SER 371 H 0.08 0.26 -0.41 -0.55 8.46 7.85 1w2mC1 SER 371 HA 0.07 -0.06 0.43 -0.75 4.49 4.18 1w2mC1 SER 371 HB2 0.05 -0.05 0.09 -0.04 3.95 4.01 1w2mC1 SER 371 HB3 0.04 0.05 0.00 -0.04 3.93 3.99 1w2mC1 ARG 372 H 0.16 0.42 -0.26 -0.55 8.46 8.23 1w2mC1 ARG 372 HA 0.12 -0.05 0.36 -0.75 4.34 4.02 1w2mC1 ARG 372 HB2 0.21 -0.10 -0.34 -0.04 1.90 1.63 1w2mC1 ARG 372 HB3 0.31 0.01 -0.04 -0.04 1.80 2.04 1w2mC1 ARG 372 HG2 0.16 0.28 -0.24 -0.04 1.67 1.82 1w2mC1 ARG 372 HG3 0.13 -0.13 -0.00 -0.04 1.67 1.63 1w2mC1 ARG 372 HD2 0.14 -0.13 -0.14 -0.04 3.22 3.05 1w2mC1 ARG 372 HD3 0.18 0.10 -0.05 -0.04 3.22 3.41 1w2mC1 ILE 373 H 0.11 0.02 0.17 -0.55 8.25 8.00 1w2mC1 ILE 373 HA 0.11 0.20 0.41 -0.75 4.18 4.14 1w2mC1 ILE 373 HB 0.09 -0.07 0.11 -0.04 1.89 1.98 1w2mC1 ILE 373 HG12 0.07 -0.08 0.10 -0.04 1.49 1.55 1w2mC1 ILE 373 HG13 0.06 -0.02 0.04 -0.04 1.21 1.26 1w2mC1 ILE 373 HG23 0.08 0.04 -0.05 -0.04 0.93 0.95 1w2mC1 ILE 373 HD13 0.07 0.05 -0.08 -0.04 0.88 0.87 1w2mC1 LEU 374 H 0.13 0.55 0.34 -0.55 8.37 8.84 1w2mC1 LEU 374 HA 0.13 0.08 0.52 -0.75 4.35 4.33 1w2mC1 LEU 374 HB2 0.14 0.06 0.08 -0.04 1.64 1.88 1w2mC1 LEU 374 HB3 0.12 0.01 -0.07 -0.04 1.64 1.65 1w2mC1 LEU 374 HG 0.19 0.09 0.04 -0.04 1.64 1.92 1w2mC1 LEU 374 HD13 0.24 -0.02 -0.21 -0.04 0.93 0.90 1w2mC1 LEU 374 HD23 0.27 -0.00 -0.10 -0.04 0.89 1.02 1w2mC1 GLU 375 H 0.04 0.22 0.20 -0.55 8.60 8.51 1w2mC1 GLU 375 HA 0.09 0.15 0.83 -0.75 4.29 4.61 1w2mC1 GLU 375 HB2 0.35 0.01 -0.02 -0.04 2.09 2.39 1w2mC1 GLU 375 HB3 0.19 0.04 0.08 -0.04 1.99 2.26 1w2mC1 GLU 375 HG2 0.11 0.01 -0.10 -0.04 2.34 2.32 1w2mC1 GLU 375 HG3 0.14 0.04 -0.43 -0.04 2.34 2.05 1w2mC1 PRO 376 HA 0.05 0.14 0.16 -0.51 4.44 4.28 1w2mC1 PRO 376 HB2 0.07 0.02 -0.02 -0.04 2.28 2.31 1w2mC1 PRO 376 HB3 0.05 -0.08 -0.07 -0.04 2.02 1.87 1w2mC1 PRO 376 HG2 0.05 0.01 0.02 -0.04 2.03 2.07 1w2mC1 PRO 376 HG3 0.05 0.11 -0.21 -0.04 2.03 1.95 1w2mC1 PRO 376 HD2 0.10 0.09 0.16 -0.04 3.68 3.99 1w2mC1 PRO 376 HD3 0.07 0.15 0.19 -0.04 3.65 4.03 1w2mC1 GLY 377 H 0.02 0.58 0.29 -0.55 8.43 8.77 1w2mC1 GLY 377 HA2 0.03 -0.01 0.41 -0.51 4.01 3.92 1w2mC1 GLY 377 HA3 0.12 0.16 0.80 -0.51 4.01 4.58 1w2mC1 MET 378 H -0.11 0.34 -0.07 -0.55 8.47 8.07 1w2mC1 MET 378 HA -0.38 0.38 0.82 -0.75 4.52 4.59 1w2mC1 MET 378 HB2 -0.09 -0.04 0.17 -0.04 2.15 2.16 1w2mC1 MET 378 HB3 -0.14 -0.01 0.03 -0.04 2.03 1.86 1w2mC1 MET 378 HG2 -0.96 0.10 0.01 -0.04 2.63 1.74 1w2mC1 MET 378 HG3 -0.57 0.06 -0.01 -0.04 2.56 1.99 1w2mC1 MET 378 HE3 -0.33 0.02 -0.02 -0.04 2.10 1.73 1w2mC1 VAL 379 H -0.08 0.31 0.38 -0.55 8.24 8.29 1w2mC1 VAL 379 HA 0.02 0.24 1.18 -0.75 4.13 4.81 1w2mC1 VAL 379 HB 0.04 0.17 0.29 -0.04 2.12 2.58 1w2mC1 VAL 379 HG13 0.05 -0.01 -0.07 -0.04 0.97 0.89 1w2mC1 VAL 379 HG23 -0.01 0.01 -0.05 -0.04 0.95 0.86 1w2mC1 LEU 380 H 0.01 0.65 0.39 -0.55 8.37 8.87 1w2mC1 LEU 380 HA 0.08 0.19 0.91 -0.75 4.35 4.78 1w2mC1 LEU 380 HB2 -0.14 0.04 -0.05 -0.04 1.64 1.45 1w2mC1 LEU 380 HB3 0.21 -0.02 -0.31 -0.04 1.64 1.47 1w2mC1 LEU 380 HG -0.21 -0.02 -0.18 -0.04 1.64 1.19 1w2mC1 LEU 380 HD13 -0.63 0.02 -0.17 -0.04 0.93 0.11 1w2mC1 LEU 380 HD23 -0.02 -0.01 -0.27 -0.04 0.89 0.54 1w2mC1 THR 381 H -0.25 0.48 0.33 -0.55 8.28 8.29 1w2mC1 THR 381 HA -0.08 0.23 1.08 -0.75 4.39 4.87 1w2mC1 THR 381 HB -0.11 0.06 0.07 -0.04 4.32 4.29 1w2mC1 THR 381 HG23 -0.21 0.02 -0.06 -0.04 1.22 0.93 1w2mC1 VAL 382 H -0.01 0.59 0.31 -0.55 8.24 8.58 1w2mC1 VAL 382 HA 0.07 0.19 0.78 -0.75 4.13 4.42 1w2mC1 VAL 382 HB 0.06 -0.10 0.21 -0.04 2.12 2.25 1w2mC1 VAL 382 HG13 0.15 -0.00 -0.02 -0.04 0.97 1.05 1w2mC1 VAL 382 HG23 0.07 0.02 -0.30 -0.04 0.95 0.69 1w2mC1 GLU 383 H 0.11 0.58 0.19 -0.55 8.60 8.93 1w2mC1 GLU 383 HA 0.08 0.39 1.06 -0.75 4.29 5.07 1w2mC1 GLU 383 HB2 0.16 -0.02 -0.06 -0.04 2.09 2.13 1w2mC1 GLU 383 HB3 0.08 -0.07 -0.28 -0.04 1.99 1.68 1w2mC1 GLU 383 HG2 0.15 0.16 -0.20 -0.04 2.34 2.40 1w2mC1 GLU 383 HG3 0.31 0.04 -0.02 -0.04 2.34 2.63 1w2mC1 PRO 384 HA -0.17 0.05 0.52 -0.51 4.44 4.32 1w2mC1 PRO 384 HB2 -0.30 0.02 0.03 -0.04 2.28 1.98 1w2mC1 PRO 384 HB3 -0.25 -0.03 0.07 -0.04 2.02 1.76 1w2mC1 PRO 384 HG2 -0.11 0.05 0.11 -0.04 2.03 2.04 1w2mC1 PRO 384 HG3 -0.10 -0.06 -0.08 -0.04 2.03 1.76 1w2mC1 PRO 384 HD2 0.01 0.44 0.13 -0.04 3.68 4.22 1w2mC1 PRO 384 HD3 0.02 -0.01 -0.04 -0.04 3.65 3.57 1w2mC1 GLY 385 H -0.46 0.23 0.25 -0.55 8.43 7.91 1w2mC1 GLY 385 HA2 -0.20 0.15 0.72 -0.51 4.01 4.17 1w2mC1 GLY 385 HA3 0.02 0.03 0.39 -0.51 4.01 3.94 1w2mC1 LEU 386 H -0.50 0.56 0.32 -0.55 8.37 8.21 1w2mC1 LEU 386 HA -0.18 0.40 0.69 -0.75 4.35 4.51 1w2mC1 LEU 386 HB2 -0.21 -0.07 0.06 -0.04 1.64 1.39 1w2mC1 LEU 386 HB3 -0.13 -0.01 -0.04 -0.04 1.64 1.42 1w2mC1 LEU 386 HG -0.23 -0.04 -0.31 -0.04 1.64 1.02 1w2mC1 LEU 386 HD13 -0.17 -0.01 -0.05 -0.04 0.93 0.66 1w2mC1 LEU 386 HD23 -0.01 0.04 -0.02 -0.04 0.89 0.85 1w2mC1 TYR 387 H 0.14 0.56 0.25 -0.55 8.29 8.69 1w2mC1 TYR 387 HA 0.10 0.16 1.00 -0.75 4.56 5.06 1w2mC1 TYR 387 HB2 0.12 0.04 0.14 -0.04 3.06 3.31 1w2mC1 TYR 387 HB3 0.09 -0.02 0.03 -0.04 2.98 3.03 1w2mC1 TYR 387 HD2 0.12 0.06 -0.13 -0.04 7.15 7.15 1w2mC1 TYR 387 HE2 0.22 -0.02 -0.22 -0.04 6.85 6.78 1w2mC1 ILE 388 H 0.14 0.81 0.24 -0.55 8.25 8.90 1w2mC1 ILE 388 HA 0.32 0.11 0.85 -0.75 4.18 4.70 1w2mC1 ILE 388 HB 0.10 0.06 0.22 -0.04 1.89 2.22 1w2mC1 ILE 388 HG12 0.02 0.08 -0.03 -0.04 1.49 1.52 1w2mC1 ILE 388 HG13 -0.05 -0.02 -0.03 -0.04 1.21 1.08 1w2mC1 ILE 388 HG23 0.07 -0.01 -0.14 -0.04 0.93 0.81 1w2mC1 ILE 388 HD13 -0.21 0.00 -0.24 -0.04 0.88 0.39 1w2mC1 ALA 389 H 0.20 0.19 0.10 -0.55 8.40 8.34 1w2mC1 ALA 389 HA 0.09 0.14 0.34 -0.75 4.34 4.16 1w2mC1 ALA 389 HB3 0.07 0.02 0.08 -0.04 1.41 1.54 1w2mC1 PRO 390 HA 0.04 0.08 0.39 -0.51 4.44 4.44 1w2mC1 PRO 390 HB2 0.02 0.05 -0.03 -0.04 2.28 2.29 1w2mC1 PRO 390 HB3 0.02 0.04 0.11 -0.04 2.02 2.15 1w2mC1 PRO 390 HG2 0.02 0.05 0.07 -0.04 2.03 2.13 1w2mC1 PRO 390 HG3 0.02 0.04 0.12 -0.04 2.03 2.18 1w2mC1 PRO 390 HD2 0.04 0.08 0.19 -0.04 3.68 3.94 1w2mC1 PRO 390 HD3 0.05 0.18 0.24 -0.04 3.65 4.07 1w2mC1 ASP 391 H 0.05 0.03 -0.33 -0.55 8.40 7.59 1w2mC1 ASP 391 HA 0.04 0.26 0.81 -0.75 4.63 4.99 1w2mC1 ASP 391 HB2 0.03 0.02 0.13 -0.04 2.71 2.84 1w2mC1 ASP 391 HB3 0.02 0.00 -0.04 -0.04 2.70 2.64 1w2mC1 ALA 392 H 0.08 0.34 -0.33 -0.55 8.40 7.94 1w2mC1 ALA 392 HA 0.09 0.01 0.40 -0.75 4.34 4.08 1w2mC1 ALA 392 HB3 0.19 0.00 0.01 -0.04 1.41 1.57 1w2mC1 GLU 393 H 0.08 0.10 0.12 -0.55 8.60 8.36 1w2mC1 GLU 393 HA 0.05 0.11 0.56 -0.75 4.29 4.26 1w2mC1 GLU 393 HB2 0.06 -0.02 0.23 -0.04 2.09 2.33 1w2mC1 GLU 393 HB3 0.05 -0.00 0.14 -0.04 1.99 2.14 1w2mC1 GLU 393 HG2 0.04 0.04 0.07 -0.04 2.34 2.45 1w2mC1 GLU 393 HG3 0.03 -0.03 0.07 -0.04 2.34 2.36 1w2mC1 VAL 394 H 0.07 0.60 0.05 -0.55 8.24 8.41 1w2mC1 VAL 394 HA 0.06 0.21 0.69 -0.75 4.13 4.33 1w2mC1 VAL 394 HB 0.01 0.02 0.05 -0.04 2.12 2.16 1w2mC1 VAL 394 HG13 0.11 -0.02 -0.36 -0.04 0.97 0.66 1w2mC1 VAL 394 HG23 0.10 0.08 -0.28 -0.04 0.95 0.81 1w2mC1 PRO 395 HA 0.04 0.01 0.49 -0.51 4.44 4.48 1w2mC1 PRO 395 HB2 0.22 -0.06 -0.00 -0.04 2.28 2.39 1w2mC1 PRO 395 HB3 0.05 -0.02 0.11 -0.04 2.02 2.12 1w2mC1 PRO 395 HG2 0.18 0.20 -0.02 -0.04 2.03 2.34 1w2mC1 PRO 395 HG3 0.08 0.04 0.07 -0.04 2.03 2.17 1w2mC1 PRO 395 HD2 0.09 0.05 0.05 -0.04 3.68 3.82 1w2mC1 PRO 395 HD3 0.06 0.28 0.14 -0.04 3.65 4.08 1w2mC1 GLU 396 H -0.02 0.10 0.20 -0.55 8.60 8.33 1w2mC1 GLU 396 HA 0.01 0.21 0.20 -0.75 4.29 3.96 1w2mC1 GLU 396 HB2 -0.01 0.02 0.17 -0.04 2.09 2.23 1w2mC1 GLU 396 HB3 -0.04 -0.05 0.09 -0.04 1.99 1.95 1w2mC1 GLU 396 HG2 -0.01 0.03 0.09 -0.04 2.34 2.42 1w2mC1 GLU 396 HG3 -0.00 0.03 0.06 -0.04 2.34 2.39 1w2mC1 GLN 397 H -0.18 0.06 -0.07 -0.55 8.47 7.73 1w2mC1 GLN 397 HA -0.12 0.10 0.45 -0.75 4.36 4.04 1w2mC1 GLN 397 HB2 -0.24 -0.07 0.09 -0.04 2.15 1.89 1w2mC1 GLN 397 HB3 -0.21 -0.01 0.10 -0.04 2.02 1.86 1w2mC1 GLN 397 HG2 -1.33 0.11 -0.26 -0.04 2.40 0.88 1w2mC1 GLN 397 HG3 -0.64 -0.06 -0.08 -0.04 2.39 1.57 1w2mC1 GLN 397 HE21 -0.11 0.05 -0.00 -0.04 6.97 6.87 1w2mC1 GLN 397 HE22 -0.30 -0.02 -0.03 -0.04 7.69 7.30 1w2mC1 TYR 398 H -0.12 0.28 -0.46 -0.55 8.29 7.44 1w2mC1 TYR 398 HA -0.01 0.07 0.57 -0.75 4.56 4.44 1w2mC1 TYR 398 HB2 -0.04 0.18 -0.08 -0.04 3.06 3.09 1w2mC1 TYR 398 HB3 -0.05 -0.04 0.01 -0.04 2.98 2.86 1w2mC1 TYR 398 HD2 -0.04 0.09 -0.07 -0.04 7.15 7.10 1w2mC1 TYR 398 HE2 -0.03 0.08 -0.01 -0.04 6.85 6.85 1w2mC1 ARG 399 H 0.05 0.28 -0.21 -0.55 8.46 8.03 1w2mC1 ARG 399 HA 0.09 0.08 0.29 -0.75 4.34 4.05 1w2mC1 ARG 399 HB2 0.03 0.13 0.17 -0.04 1.90 2.18 1w2mC1 ARG 399 HB3 0.04 -0.05 0.00 -0.04 1.80 1.75 1w2mC1 ARG 399 HG2 0.06 -0.06 -0.10 -0.04 1.67 1.53 1w2mC1 ARG 399 HG3 0.07 -0.03 -0.04 -0.04 1.67 1.63 1w2mC1 ARG 399 HD2 0.03 -0.08 0.08 -0.04 3.22 3.20 1w2mC1 ARG 399 HD3 0.03 0.17 0.07 -0.04 3.22 3.45 1w2mC1 GLY 400 H 0.08 0.43 -0.12 -0.55 8.43 8.26 1w2mC1 GLY 400 HA2 0.05 -0.06 0.27 -0.51 4.01 3.76 1w2mC1 GLY 400 HA3 0.03 -0.00 0.43 -0.51 4.01 3.96 1w2mC1 ILE 401 H 0.08 0.36 -0.09 -0.55 8.25 8.05 1w2mC1 ILE 401 HA 0.06 0.02 0.68 -0.75 4.18 4.19 1w2mC1 ILE 401 HB 0.09 0.16 0.13 -0.04 1.89 2.23 1w2mC1 ILE 401 HG12 0.08 -0.11 -0.08 -0.04 1.49 1.34 1w2mC1 ILE 401 HG13 0.07 0.12 -0.36 -0.04 1.21 0.99 1w2mC1 ILE 401 HG23 0.08 -0.03 -0.20 -0.04 0.93 0.74 1w2mC1 ILE 401 HD13 0.14 -0.02 -0.08 -0.04 0.88 0.88 1w2mC1 GLY 402 H 0.08 0.23 0.07 -0.55 8.43 8.26 1w2mC1 GLY 402 HA2 0.16 0.23 0.89 -0.51 4.01 4.78 1w2mC1 GLY 402 HA3 0.22 -0.01 -0.14 -0.51 4.01 3.57 1w2mC1 ILE 403 H -0.16 0.77 0.22 -0.55 8.25 8.53 1w2mC1 ILE 403 HA 0.09 0.11 0.87 -0.75 4.18 4.49 1w2mC1 ILE 403 HB -0.07 0.01 0.01 -0.04 1.89 1.80 1w2mC1 ILE 403 HG12 0.24 0.01 -0.11 -0.04 1.49 1.59 1w2mC1 ILE 403 HG13 0.10 -0.05 -0.61 -0.04 1.21 0.61 1w2mC1 ILE 403 HG23 -0.04 -0.01 -0.22 -0.04 0.93 0.61 1w2mC1 ILE 403 HD13 0.18 -0.03 -0.13 -0.04 0.88 0.86 1w2mC1 ARG 404 H 0.11 0.25 0.09 -0.55 8.46 8.37 1w2mC1 ARG 404 HA 0.00 0.25 0.64 -0.75 4.34 4.48 1w2mC1 ARG 404 HB2 0.34 0.01 -0.06 -0.04 1.90 2.15 1w2mC1 ARG 404 HB3 0.22 -0.06 -0.08 -0.04 1.80 1.84 1w2mC1 ARG 404 HG2 0.14 -0.11 -0.37 -0.04 1.67 1.30 1w2mC1 ARG 404 HG3 0.18 0.25 -0.22 -0.04 1.67 1.85 1w2mC1 ARG 404 HD2 0.15 0.03 -0.17 -0.04 3.22 3.19 1w2mC1 ARG 404 HD3 0.32 -0.03 -0.16 -0.04 3.22 3.31 1w2mC1 ILE 405 H 0.00 0.59 0.13 -0.55 8.25 8.43 1w2mC1 ILE 405 HA 0.08 0.23 0.73 -0.75 4.18 4.46 1w2mC1 ILE 405 HB -0.06 -0.01 0.03 -0.04 1.89 1.80 1w2mC1 ILE 405 HG12 -0.03 0.03 -0.13 -0.04 1.49 1.31 1w2mC1 ILE 405 HG13 -0.18 -0.11 -0.42 -0.04 1.21 0.46 1w2mC1 ILE 405 HG23 0.07 -0.00 0.05 -0.04 0.93 1.00 1w2mC1 ILE 405 HD13 -0.66 -0.00 -0.16 -0.04 0.88 0.02 1w2mC1 GLU 406 H 0.05 0.65 0.35 -0.55 8.60 9.11 1w2mC1 GLU 406 HA 0.04 0.53 1.29 -0.75 4.29 5.40 1w2mC1 GLU 406 HB2 0.09 0.03 -0.19 -0.04 2.09 1.98 1w2mC1 GLU 406 HB3 0.08 -0.20 0.04 -0.04 1.99 1.88 1w2mC1 GLU 406 HG2 0.05 0.07 -0.32 -0.04 2.34 2.09 1w2mC1 GLU 406 HG3 0.03 -0.02 -0.17 -0.04 2.34 2.14 1w2mC1 ASP 407 H 0.03 0.43 0.38 -0.55 8.40 8.69 1w2mC1 ASP 407 HA 0.01 0.17 0.90 -0.75 4.63 4.96 1w2mC1 ASP 407 HB2 0.03 0.03 0.05 -0.04 2.71 2.78 1w2mC1 ASP 407 HB3 0.02 -0.07 0.02 -0.04 2.70 2.63 1w2mC1 ASP 408 H 0.02 0.07 0.20 -0.55 8.40 8.14 1w2mC1 ASP 408 HA -0.01 0.29 1.04 -0.75 4.63 5.21 1w2mC1 ASP 408 HB2 0.03 -0.12 0.08 -0.04 2.71 2.66 1w2mC1 ASP 408 HB3 0.03 0.11 0.00 -0.04 2.70 2.80 1w2mC1 ILE 409 H -0.02 0.86 0.39 -0.55 8.25 8.93 1w2mC1 ILE 409 HA 0.01 0.17 1.13 -0.75 4.18 4.74 1w2mC1 ILE 409 HB 0.01 0.03 -0.09 -0.04 1.89 1.79 1w2mC1 ILE 409 HG12 -0.09 0.10 -0.11 -0.04 1.49 1.35 1w2mC1 ILE 409 HG13 -0.08 -0.06 -0.30 -0.04 1.21 0.73 1w2mC1 ILE 409 HG23 0.02 -0.03 -0.32 -0.04 0.93 0.56 1w2mC1 ILE 409 HD13 -0.13 0.00 -0.23 -0.04 0.88 0.48 1w2mC1 VAL 410 H 0.00 0.50 0.33 -0.55 8.24 8.53 1w2mC1 VAL 410 HA -0.00 0.32 1.02 -0.75 4.13 4.72 1w2mC1 VAL 410 HB -0.00 0.03 0.03 -0.04 2.12 2.13 1w2mC1 VAL 410 HG13 0.00 -0.04 0.05 -0.04 0.97 0.95 1w2mC1 VAL 410 HG23 -0.00 0.02 -0.16 -0.04 0.95 0.76 1w2mC1 ILE 411 H -0.01 0.72 0.24 -0.55 8.25 8.66 1w2mC1 ILE 411 HA 0.03 0.20 0.67 -0.75 4.18 4.32 1w2mC1 ILE 411 HB 0.01 -0.04 0.15 -0.04 1.89 1.97 1w2mC1 ILE 411 HG12 -0.00 0.11 -0.03 -0.04 1.49 1.53 1w2mC1 ILE 411 HG13 0.04 -0.07 -0.12 -0.04 1.21 1.03 1w2mC1 ILE 411 HG23 0.06 0.00 -0.36 -0.04 0.93 0.59 1w2mC1 ILE 411 HD13 -0.01 -0.01 -0.27 -0.04 0.88 0.55 1w2mC1 THR 412 H 0.03 0.50 0.08 -0.55 8.28 8.34 1w2mC1 THR 412 HA 0.03 0.16 0.79 -0.75 4.39 4.62 1w2mC1 THR 412 HB 0.02 -0.11 0.12 -0.04 4.32 4.31 1w2mC1 THR 412 HG23 0.02 0.05 -0.18 -0.04 1.22 1.06 1w2mC1 GLU 413 H 0.02 0.14 0.13 -0.55 8.60 8.34 1w2mC1 GLU 413 HA 0.03 0.11 0.37 -0.75 4.29 4.05 1w2mC1 GLU 413 HB2 0.02 -0.02 0.08 -0.04 2.09 2.13 1w2mC1 GLU 413 HB3 0.02 0.05 0.09 -0.04 1.99 2.11 1w2mC1 GLU 413 HG2 0.02 -0.06 0.11 -0.04 2.34 2.37 1w2mC1 GLU 413 HG3 0.02 0.00 0.07 -0.04 2.34 2.39 1w2mC1 THR 414 H 0.03 -0.05 -0.27 -0.55 8.28 7.44 1w2mC1 THR 414 HA 0.03 0.24 0.80 -0.75 4.39 4.70 1w2mC1 THR 414 HB 0.02 0.05 0.12 -0.04 4.32 4.46 1w2mC1 THR 414 HG23 0.02 -0.02 -0.09 -0.04 1.22 1.08 1w2mC1 GLY 415 H 0.04 0.14 -0.27 -0.55 8.43 7.79 1w2mC1 GLY 415 HA2 0.05 0.15 0.40 -0.51 4.01 4.11 1w2mC1 GLY 415 HA3 0.04 0.08 0.65 -0.51 4.01 4.27 1w2mC1 ASN 416 H 0.04 0.32 0.21 -0.55 8.53 8.55 1w2mC1 ASN 416 HA 0.03 0.05 0.69 -0.75 4.76 4.77 1w2mC1 ASN 416 HB2 0.03 -0.04 -0.14 -0.04 2.88 2.69 1w2mC1 ASN 416 HB3 0.07 0.12 -0.34 -0.04 2.79 2.60 1w2mC1 ASN 416 HD21 0.10 0.45 0.09 -0.04 7.03 7.63 1w2mC1 ASN 416 HD22 0.13 0.47 -0.10 -0.04 7.74 8.20 1w2mC1 GLU 417 H 0.02 0.61 0.29 -0.55 8.60 8.97 1w2mC1 GLU 417 HA 0.02 0.14 0.90 -0.75 4.29 4.59 1w2mC1 GLU 417 HB2 0.01 -0.02 0.02 -0.04 2.09 2.06 1w2mC1 GLU 417 HB3 0.01 -0.03 0.11 -0.04 1.99 2.04 1w2mC1 GLU 417 HG2 0.01 0.09 -0.23 -0.04 2.34 2.17 1w2mC1 GLU 417 HG3 0.01 -0.00 0.02 -0.04 2.34 2.33 1w2mC1 ASN 418 H 0.02 0.19 0.10 -0.55 8.53 8.29 1w2mC1 ASN 418 HA 0.02 0.18 0.77 -0.75 4.76 4.98 1w2mC1 ASN 418 HB2 0.02 0.09 0.08 -0.04 2.88 3.03 1w2mC1 ASN 418 HB3 0.02 -0.03 0.18 -0.04 2.79 2.91 1w2mC1 ASN 418 HD21 0.02 0.04 -0.07 -0.04 7.03 6.98 1w2mC1 ASN 418 HD22 0.03 0.05 -0.03 -0.04 7.74 7.74 1w2mC1 LEU 419 H 0.01 0.82 0.43 -0.55 8.37 9.09 1w2mC1 LEU 419 HA 0.00 0.11 0.52 -0.75 4.35 4.23 1w2mC1 LEU 419 HB2 0.02 0.03 0.03 -0.04 1.64 1.68 1w2mC1 LEU 419 HB3 0.01 0.01 0.08 -0.04 1.64 1.71 1w2mC1 LEU 419 HG 0.01 0.04 -0.08 -0.04 1.64 1.57 1w2mC1 LEU 419 HD13 0.01 0.01 -0.26 -0.04 0.93 0.64 1w2mC1 LEU 419 HD23 0.00 -0.02 -0.13 -0.04 0.89 0.70 1w2mC1 THR 420 H 0.01 0.09 -0.13 -0.55 8.28 7.70 1w2mC1 THR 420 HA 0.01 0.28 0.87 -0.75 4.39 4.79 1w2mC1 THR 420 HB 0.01 0.08 0.24 -0.04 4.32 4.61 1w2mC1 THR 420 HG23 0.02 0.04 -0.08 -0.04 1.22 1.16 1w2mC1 ALA 421 H 0.01 0.21 -0.19 -0.55 8.40 7.88 1w2mC1 ALA 421 HA 0.02 0.17 0.45 -0.75 4.34 4.23 1w2mC1 ALA 421 HB3 0.02 0.01 0.05 -0.04 1.41 1.44 1w2mC1 SER 422 H 0.01 0.07 -0.40 -0.55 8.46 7.60 1w2mC1 SER 422 HA 0.01 0.07 0.42 -0.75 4.49 4.24 1w2mC1 SER 422 HB2 0.01 0.01 0.08 -0.04 3.95 4.00 1w2mC1 SER 422 HB3 0.00 -0.02 0.02 -0.04 3.93 3.89 1w2mC1 VAL 423 H 0.03 0.31 -0.40 -0.55 8.24 7.63 1w2mC1 VAL 423 HA 0.03 0.14 0.89 -0.75 4.13 4.44 1w2mC1 VAL 423 HB 0.07 0.09 0.09 -0.04 2.12 2.33 1w2mC1 VAL 423 HG13 0.02 -0.00 0.06 -0.04 0.97 1.01 1w2mC1 VAL 423 HG23 0.08 0.02 -0.13 -0.04 0.95 0.89 1w2mC1 VAL 424 H 0.03 0.11 0.03 -0.55 8.24 7.86 1w2mC1 VAL 424 HA 0.04 0.05 0.28 -0.75 4.13 3.74 1w2mC1 VAL 424 HB 0.04 -0.16 0.00 -0.04 2.12 1.96 1w2mC1 VAL 424 HG13 0.02 0.03 -0.01 -0.04 0.97 0.96 1w2mC1 VAL 424 HG23 0.02 0.03 -0.20 -0.04 0.95 0.76 1w2mC1 LYS 425 H 0.07 -0.11 0.23 -0.55 8.42 8.05 1w2mC1 LYS 425 HA 0.18 0.21 0.61 -0.75 4.32 4.57 1w2mC1 LYS 425 HB2 0.16 -0.03 0.09 -0.04 1.87 2.05 1w2mC1 LYS 425 HB3 0.11 0.17 -0.02 -0.04 1.79 2.01 1w2mC1 LYS 425 HG2 0.06 0.03 0.02 -0.04 1.46 1.53 1w2mC1 LYS 425 HG3 0.08 -0.07 -0.10 -0.04 1.46 1.32 1w2mC1 LYS 425 HD2 0.04 -0.03 -0.07 -0.04 1.69 1.58 1w2mC1 LYS 425 HD3 0.05 0.08 -0.08 -0.04 1.68 1.68 1w2mC1 LYS 425 HE2 0.03 -0.05 -0.04 -0.04 2.99 2.89 1w2mC1 LYS 425 HE3 0.02 -0.01 -0.09 -0.04 2.99 2.88 1w2mC1 LYS 426 H 0.07 -0.04 0.18 -0.55 8.42 8.08 1w2mC1 LYS 426 HA 0.10 0.21 0.68 -0.75 4.32 4.56 1w2mC1 LYS 426 HB2 0.04 -0.02 0.20 -0.04 1.87 2.05 1w2mC1 LYS 426 HB3 0.03 -0.09 0.08 -0.04 1.79 1.76 1w2mC1 LYS 426 HG2 0.04 0.05 0.08 -0.04 1.46 1.59 1w2mC1 LYS 426 HG3 0.04 0.02 0.06 -0.04 1.46 1.54 1w2mC1 LYS 426 HD2 0.02 -0.01 0.05 -0.04 1.69 1.71 1w2mC1 LYS 426 HD3 0.02 -0.01 0.03 -0.04 1.68 1.68 1w2mC1 LYS 426 HE2 0.02 0.03 0.01 -0.04 2.99 3.01 1w2mC1 LYS 426 HE3 0.01 0.02 0.01 -0.04 2.99 2.99 1w2mC1 PRO 427 HA 0.04 0.14 0.34 -0.51 4.44 4.44 1w2mC1 PRO 427 HB2 -0.22 0.02 0.00 -0.04 2.28 2.04 1w2mC1 PRO 427 HB3 -0.91 0.07 0.11 -0.04 2.02 1.25 1w2mC1 PRO 427 HG2 -0.10 0.01 0.11 -0.04 2.03 2.01 1w2mC1 PRO 427 HG3 -0.16 0.09 0.09 -0.04 2.03 2.00 1w2mC1 PRO 427 HD2 0.02 0.05 0.26 -0.04 3.68 3.97 1w2mC1 PRO 427 HD3 0.16 0.30 0.29 -0.04 3.65 4.35 1w2mC1 GLU 428 H 0.00 0.13 -0.15 -0.55 8.60 8.03 1w2mC1 GLU 428 HA 0.03 0.12 0.55 -0.75 4.29 4.25 1w2mC1 GLU 428 HB2 0.01 0.06 0.06 -0.04 2.09 2.18 1w2mC1 GLU 428 HB3 0.01 0.02 0.08 -0.04 1.99 2.05 1w2mC1 GLU 428 HG2 0.01 0.02 -0.09 -0.04 2.34 2.24 1w2mC1 GLU 428 HG3 0.01 0.06 -0.02 -0.04 2.34 2.34 1w2mC1 GLU 429 H 0.03 0.10 -0.27 -0.55 8.60 7.91 1w2mC1 GLU 429 HA 0.01 0.09 0.50 -0.75 4.29 4.13 1w2mC1 GLU 429 HB2 0.03 0.02 0.12 -0.04 2.09 2.22 1w2mC1 GLU 429 HB3 0.02 0.05 0.04 -0.04 1.99 2.06 1w2mC1 GLU 429 HG2 0.01 0.06 0.00 -0.04 2.34 2.37 1w2mC1 GLU 429 HG3 0.02 -0.10 0.02 -0.04 2.34 2.24 1w2mC1 ILE 430 H 0.05 0.45 -0.18 -0.55 8.25 8.02 1w2mC1 ILE 430 HA -0.02 0.07 0.38 -0.75 4.18 3.85 1w2mC1 ILE 430 HB 0.12 0.06 0.11 -0.04 1.89 2.14 1w2mC1 ILE 430 HG12 0.04 0.06 -0.11 -0.04 1.49 1.44 1w2mC1 ILE 430 HG13 0.07 -0.11 -0.29 -0.04 1.21 0.84 1w2mC1 ILE 430 HG23 -0.03 0.01 -0.13 -0.04 0.93 0.75 1w2mC1 ILE 430 HD13 0.16 0.01 -0.12 -0.04 0.88 0.89 1w2mC1 GLU 431 H 0.05 0.47 -0.10 -0.55 8.60 8.48 1w2mC1 GLU 431 HA -0.02 0.14 0.48 -0.75 4.29 4.15 1w2mC1 GLU 431 HB2 0.04 0.00 0.19 -0.04 2.09 2.28 1w2mC1 GLU 431 HB3 0.02 0.00 0.16 -0.04 1.99 2.13 1w2mC1 GLU 431 HG2 0.02 0.19 0.12 -0.04 2.34 2.63 1w2mC1 GLU 431 HG3 0.15 0.11 0.13 -0.04 2.34 2.69 1w2mC1 ALA 432 H 0.01 0.37 -0.26 -0.55 8.40 7.97 1w2mC1 ALA 432 HA -0.00 0.02 0.44 -0.75 4.34 4.04 1w2mC1 ALA 432 HB3 0.00 0.00 0.09 -0.04 1.41 1.46 1w2mC1 LEU 433 H -0.02 0.47 -0.17 -0.55 8.37 8.10 1w2mC1 LEU 433 HA -0.02 0.01 0.50 -0.75 4.35 4.08 1w2mC1 LEU 433 HB2 -0.02 0.03 0.15 -0.04 1.64 1.75 1w2mC1 LEU 433 HB3 -0.06 0.11 0.16 -0.04 1.64 1.81 1w2mC1 LEU 433 HG -0.05 0.03 -0.06 -0.04 1.64 1.52 1w2mC1 LEU 433 HD13 -0.02 -0.02 0.04 -0.04 0.93 0.89 1w2mC1 LEU 433 HD23 -0.07 -0.01 0.01 -0.04 0.89 0.78 1w2mC1 MET 434 H -0.05 0.42 -0.16 -0.55 8.47 8.14 1w2mC1 MET 434 HA -0.07 0.14 0.28 -0.75 4.52 4.12 1w2mC1 MET 434 HB2 -0.05 -0.02 0.20 -0.04 2.15 2.23 1w2mC1 MET 434 HB3 -0.06 0.04 -0.06 -0.04 2.03 1.92 1w2mC1 MET 434 HG2 -0.19 0.18 -0.08 -0.04 2.63 2.51 1w2mC1 MET 434 HG3 -0.14 0.12 0.03 -0.04 2.56 2.54 1w2mC1 MET 434 HE3 0.04 -0.00 -0.07 -0.04 2.10 2.03 1w2mC1 VAL 435 H -0.03 0.55 0.18 -0.55 8.24 8.40 1w2mC1 VAL 435 HA -0.02 0.04 0.58 -0.75 4.13 3.97 1w2mC1 VAL 435 HB -0.01 0.13 0.20 -0.04 2.12 2.40 1w2mC1 VAL 435 HG13 -0.01 -0.02 -0.09 -0.04 0.97 0.81 1w2mC1 VAL 435 HG23 -0.01 -0.03 0.04 -0.04 0.95 0.92 1w2mC1 ALA 436 H -0.02 0.35 -0.47 -0.55 8.40 7.71 1w2mC1 ALA 436 HA -0.01 -0.01 0.52 -0.75 4.34 4.08 1w2mC1 ALA 436 HB3 -0.01 0.03 0.11 -0.04 1.41 1.49 1w2mC1 ALA 437 H -0.03 0.35 -0.16 -0.55 8.40 8.01 1w2mC1 ALA 437 HA -0.02 -0.04 0.48 -0.75 4.34 4.01 1w2mC1 ALA 437 HB3 -0.04 0.07 0.21 -0.04 1.41 1.61 1w2mC1 ARG 438 H -0.02 0.32 -0.27 -0.55 8.46 7.93 1w2mC1 ARG 438 HA -0.02 0.08 0.49 -0.75 4.34 4.13 1w2mC1 ARG 438 HB2 -0.02 0.12 0.08 -0.04 1.90 2.05 1w2mC1 ARG 438 HB3 -0.02 -0.11 0.06 -0.04 1.80 1.70 1w2mC1 ARG 438 HG2 -0.02 0.13 -0.01 -0.04 1.67 1.73 1w2mC1 ARG 438 HG3 -0.02 -0.06 0.01 -0.04 1.67 1.56 1w2mC1 ARG 438 HD2 -0.02 -0.09 0.05 -0.04 3.22 3.12 1w2mC1 ARG 438 HD3 -0.02 0.05 0.02 -0.04 3.22 3.23 1w2mC1 LYS 439 H -0.01 0.30 -0.54 -0.55 8.42 7.62 1w2mC1 LYS 439 HA -0.01 0.12 0.47 -0.75 4.32 4.15 1w2mC1 LYS 439 HB2 -0.01 -0.08 0.07 -0.04 1.87 1.81 1w2mC1 LYS 439 HB3 -0.01 -0.01 -0.07 -0.04 1.79 1.66 1w2mC1 LYS 439 HG2 -0.01 0.19 0.09 -0.04 1.46 1.70 1w2mC1 LYS 439 HG3 -0.01 -0.02 0.08 -0.04 1.46 1.47 1w2mC1 LYS 439 HD2 -0.01 -0.06 0.01 -0.04 1.69 1.59 1w2mC1 LYS 439 HD3 -0.01 -0.07 0.00 -0.04 1.68 1.56 1w2mC1 LYS 439 HE2 -0.01 -0.02 -0.05 -0.04 2.99 2.87 1w2mC1 LYS 439 HE3 -0.01 0.26 -0.00 -0.04 2.99 3.20