============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. TRP 22 1.040 17.836 17.676 62.153 -99.200 -91.000 TRP6 22 1.020 19.310 18.928 63.510 -99.200 -91.000 HIS 24 0.900 12.959 22.429 58.817 -99.200 -91.000 HIS 39 0.900 4.803 6.223 67.536 -99.200 -91.000 HIS 52 0.900 15.836 28.991 70.252 -99.200 -91.000 HIS 61 0.900 3.865 16.120 80.863 -99.200 -91.000 HIS 67 0.900 8.303 6.499 77.977 -99.200 -91.000 HIS 70 0.900 13.931 17.074 74.459 -99.200 -91.000 PHE 73 1.000 24.281 18.668 67.691 -99.200 -91.000 PHE 74 1.000 21.901 28.395 70.540 -99.200 -91.000 TYR 90 0.840 25.961 22.969 75.406 -99.200 -91.000 PHE 94 1.000 33.710 26.257 66.914 -99.200 -91.000 PHE 102 1.000 23.604 16.256 61.841 -99.200 -91.000 HIS 122 0.900 9.301 21.717 37.696 -99.200 -91.000 HIS 146 0.900 3.416 20.396 59.190 -99.200 -91.000 HIS 154 0.900 13.926 31.956 44.901 -99.200 -91.000 PHE 158 1.000 13.708 25.622 46.203 -99.200 -91.000 HIS 160 0.900 10.978 14.878 43.670 -99.200 -91.000 PHE 164 1.000 10.009 15.226 51.856 -99.200 -91.000 TYR 168 0.840 -1.160 15.820 59.249 -99.200 -91.000 HIS 177 0.900 11.621 35.203 68.992 -99.200 -91.000 PHE 179 1.000 8.575 34.627 72.704 -99.200 -91.000 HIS 192 0.900 27.181 54.375 73.622 -99.200 -91.000 HIS 220 0.900 24.840 54.125 59.099 -99.200 -91.000 HIS 226 0.900 27.525 35.795 54.156 -99.200 -91.000 PHE 230 1.000 16.145 38.061 56.798 -99.200 -91.000 PHE 250 1.000 29.293 33.536 49.241 -99.200 -91.000 TYR 251 0.840 25.286 33.174 46.553 -99.200 -91.000 PHE 259 1.000 19.104 30.372 61.952 -99.200 -91.000 TYR 267 0.840 7.846 33.911 59.595 -99.200 -91.000 TYR 269 0.840 12.051 41.064 51.769 -99.200 -91.000 PHE 278 1.000 15.586 32.129 54.335 -99.200 -91.000 TYR 319 0.840 19.730 31.810 78.567 -99.200 -91.000 PHE 327 1.000 28.255 35.130 60.834 -99.200 -91.000 HIS 371 0.900 38.274 33.944 68.347 -99.200 -91.000 HIS 373 0.900 37.586 45.560 66.055 -99.200 -91.000 TYR 374 0.840 35.337 48.931 68.179 -99.200 -91.000 TYR 379 0.840 26.342 52.840 82.230 -99.200 -91.000 HIS 401 0.900 24.944 50.537 87.063 -99.200 -91.000 PHE 404 1.000 27.525 45.733 89.686 -99.200 -91.000 PHE 413 1.000 47.751 45.506 93.271 -99.200 -91.000 TRP 416 1.040 42.090 39.711 86.119 -99.200 -91.000 TRP6 416 1.020 42.309 37.973 84.527 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2oasA1 PRO 2 HA 0.02 -0.07 0.13 -0.51 4.44 4.01 2oasA1 PRO 2 HB2 0.02 0.00 0.15 -0.04 2.28 2.41 2oasA1 PRO 2 HB3 0.02 -0.08 0.08 -0.04 2.02 2.00 2oasA1 PRO 2 HG2 0.03 0.15 -0.00 -0.04 2.03 2.16 2oasA1 PRO 2 HG3 0.01 -0.05 0.04 -0.04 2.03 2.00 2oasA1 PRO 2 HD2 0.02 -0.02 0.08 -0.04 3.68 3.72 2oasA1 PRO 2 HD3 0.02 -0.06 0.05 -0.04 3.65 3.62 2oasA1 ALA 3 H 0.04 0.06 0.08 -0.55 8.40 8.03 2oasA1 ALA 3 HA 0.07 0.28 0.59 -0.75 4.34 4.53 2oasA1 ALA 3 HB3 0.10 -0.01 -0.10 -0.04 1.41 1.36 2oasA1 ILE 4 H 0.06 0.49 0.12 -0.55 8.25 8.37 2oasA1 ILE 4 HA 0.04 0.09 0.71 -0.75 4.18 4.26 2oasA1 ILE 4 HB 0.03 -0.07 0.28 -0.04 1.89 2.09 2oasA1 ILE 4 HG12 0.03 -0.02 -0.01 -0.04 1.49 1.44 2oasA1 ILE 4 HG13 0.04 0.26 0.21 -0.04 1.21 1.67 2oasA1 ILE 4 HG23 0.02 -0.02 -0.11 -0.04 0.93 0.78 2oasA1 ILE 4 HD13 0.02 -0.02 0.06 -0.04 0.88 0.89 2oasA1 VAL 5 H 0.04 0.19 0.12 -0.55 8.24 8.04 2oasA1 VAL 5 HA 0.06 0.17 0.66 -0.75 4.13 4.26 2oasA1 VAL 5 HB 0.03 -0.05 0.22 -0.04 2.12 2.28 2oasA1 VAL 5 HG13 0.04 0.01 -0.05 -0.04 0.97 0.92 2oasA1 VAL 5 HG23 0.03 0.02 -0.00 -0.04 0.95 0.96 2oasA1 CYS 6 H 0.08 0.44 0.33 -0.55 8.50 8.81 2oasA1 CYS 6 HA 0.04 0.03 0.42 -0.75 4.58 4.32 2oasA1 CYS 6 HB2 0.12 0.03 -0.02 -0.04 2.97 3.07 2oasA1 CYS 6 HB3 0.01 -0.18 0.06 -0.04 2.97 2.82 2oasA1 GLN 7 H 0.04 0.08 0.22 -0.55 8.47 8.26 2oasA1 GLN 7 HA 0.14 0.25 0.84 -0.75 4.36 4.83 2oasA1 GLN 7 HB2 0.03 0.02 0.14 -0.04 2.15 2.30 2oasA1 GLN 7 HB3 0.03 -0.04 0.04 -0.04 2.02 2.01 2oasA1 GLN 7 HG2 0.03 -0.02 0.06 -0.04 2.40 2.44 2oasA1 GLN 7 HG3 0.06 -0.01 0.15 -0.04 2.39 2.55 2oasA1 GLN 7 HE21 0.03 0.03 -0.00 -0.04 6.97 6.99 2oasA1 GLN 7 HE22 0.04 -0.04 0.05 -0.04 7.69 7.70 2oasA1 SER 8 H -0.05 0.12 0.04 -0.55 8.46 8.03 2oasA1 SER 8 HA -0.42 0.24 0.64 -0.75 4.49 4.21 2oasA1 SER 8 HB2 -0.20 -0.01 0.13 -0.04 3.95 3.82 2oasA1 SER 8 HB3 -0.09 0.18 -0.14 -0.04 3.93 3.84 2oasA1 ALA 9 H -0.84 0.25 0.11 -0.55 8.40 7.38 2oasA1 ALA 9 HA -0.54 0.11 0.36 -0.75 4.34 3.51 2oasA1 ALA 9 HB3 -0.33 0.03 0.05 -0.04 1.41 1.13 2oasA1 LEU 10 H -0.24 0.08 -0.17 -0.55 8.37 7.50 2oasA1 LEU 10 HA -0.14 0.12 0.39 -0.75 4.35 3.96 2oasA1 LEU 10 HB2 -0.11 -0.03 0.09 -0.04 1.64 1.55 2oasA1 LEU 10 HB3 -0.11 0.01 -0.03 -0.04 1.64 1.48 2oasA1 LEU 10 HG -0.05 0.04 0.05 -0.04 1.64 1.64 2oasA1 LEU 10 HD13 -0.04 0.01 -0.02 -0.04 0.93 0.84 2oasA1 LEU 10 HD23 -0.07 0.01 -0.07 -0.04 0.89 0.72 2oasA1 GLU 11 H -0.16 0.04 -0.36 -0.55 8.60 7.57 2oasA1 GLU 11 HA -0.10 0.13 0.38 -0.75 4.29 3.95 2oasA1 GLU 11 HB2 -0.07 -0.05 0.11 -0.04 2.09 2.04 2oasA1 GLU 11 HB3 -0.07 0.02 0.16 -0.04 1.99 2.06 2oasA1 GLU 11 HG2 -0.03 0.08 -0.11 -0.04 2.34 2.24 2oasA1 GLU 11 HG3 -0.04 0.07 0.06 -0.04 2.34 2.38 2oasA1 ALA 12 H -0.13 0.25 -0.27 -0.55 8.40 7.70 2oasA1 ALA 12 HA -0.03 0.08 0.41 -0.75 4.34 4.05 2oasA1 ALA 12 HB3 -0.01 0.02 -0.02 -0.04 1.41 1.35 2oasA1 VAL 13 H -0.14 0.46 -0.10 -0.55 8.24 7.91 2oasA1 VAL 13 HA -0.09 0.04 0.35 -0.75 4.13 3.68 2oasA1 VAL 13 HB -0.18 0.03 -0.01 -0.04 2.12 1.93 2oasA1 VAL 13 HG13 -0.03 -0.01 -0.13 -0.04 0.97 0.76 2oasA1 VAL 13 HG23 -0.08 0.03 -0.01 -0.04 0.95 0.85 2oasA1 SER 14 H -0.27 0.27 -0.54 -0.55 8.46 7.37 2oasA1 SER 14 HA -1.12 0.02 0.28 -0.75 4.49 2.92 2oasA1 SER 14 HB2 -0.14 0.21 0.08 -0.04 3.95 4.05 2oasA1 SER 14 HB3 -0.11 -0.03 -0.05 -0.04 3.93 3.70 2oasA1 LEU 15 H -0.09 0.24 -0.39 -0.55 8.37 7.58 2oasA1 LEU 15 HA -0.01 -0.00 0.30 -0.75 4.35 3.89 2oasA1 LEU 15 HB2 -0.02 0.05 -0.01 -0.04 1.64 1.62 2oasA1 LEU 15 HB3 0.00 -0.03 -0.05 -0.04 1.64 1.52 2oasA1 LEU 15 HG -0.00 -0.02 0.01 -0.04 1.64 1.58 2oasA1 LEU 15 HD13 -0.03 0.01 0.03 -0.04 0.93 0.90 2oasA1 LEU 15 HD23 0.01 0.00 -0.07 -0.04 0.89 0.79 2oasA1 ILE 16 H -0.02 0.39 -0.37 -0.55 8.25 7.70 2oasA1 ILE 16 HA 0.04 -0.08 0.34 -0.75 4.18 3.73 2oasA1 ILE 16 HB 0.15 0.09 0.03 -0.04 1.89 2.12 2oasA1 ILE 16 HG12 0.02 -0.05 -0.07 -0.04 1.49 1.36 2oasA1 ILE 16 HG13 -0.00 0.04 0.03 -0.04 1.21 1.24 2oasA1 ILE 16 HG23 0.05 -0.02 -0.17 -0.04 0.93 0.75 2oasA1 ILE 16 HD13 0.02 -0.04 -0.07 -0.04 0.88 0.75 2oasA1 ARG 17 H 0.04 0.05 0.20 -0.55 8.46 8.20 2oasA1 ARG 17 HA 0.05 0.19 0.82 -0.75 4.34 4.65 2oasA1 ARG 17 HB2 0.02 -0.03 0.10 -0.04 1.90 1.94 2oasA1 ARG 17 HB3 0.02 -0.05 0.13 -0.04 1.80 1.86 2oasA1 ARG 17 HG2 0.04 0.30 -0.17 -0.04 1.67 1.79 2oasA1 ARG 17 HG3 0.02 -0.06 0.02 -0.04 1.67 1.61 2oasA1 ARG 17 HD2 0.02 -0.08 0.03 -0.04 3.22 3.15 2oasA1 ARG 17 HD3 0.03 -0.05 0.10 -0.04 3.22 3.26 2oasA1 SER 18 H 0.00 0.10 0.16 -0.55 8.46 8.18 2oasA1 SER 18 HA -0.01 0.06 0.50 -0.75 4.49 4.29 2oasA1 SER 18 HB2 -0.01 -0.03 0.14 -0.04 3.95 4.01 2oasA1 SER 18 HB3 -0.02 0.13 0.14 -0.04 3.93 4.14 2oasA1 GLY 19 H -0.01 0.61 0.22 -0.55 8.43 8.69 2oasA1 GLY 19 HA2 -0.01 0.22 0.51 -0.51 4.01 4.22 2oasA1 GLY 19 HA3 -0.01 -0.04 0.51 -0.51 4.01 3.96 2oasA1 GLU 20 H 0.00 0.18 -0.41 -0.55 8.60 7.83 2oasA1 GLU 20 HA 0.01 0.06 0.51 -0.75 4.29 4.12 2oasA1 GLU 20 HB2 0.01 0.04 0.05 -0.04 2.09 2.15 2oasA1 GLU 20 HB3 0.01 -0.08 0.00 -0.04 1.99 1.88 2oasA1 GLU 20 HG2 0.01 -0.02 -0.01 -0.04 2.34 2.27 2oasA1 GLU 20 HG3 0.01 0.22 -0.14 -0.04 2.34 2.39 2oasA1 THR 21 H 0.01 0.09 0.26 -0.55 8.28 8.10 2oasA1 THR 21 HA 0.01 0.20 1.01 -0.75 4.39 4.86 2oasA1 THR 21 HB 0.02 -0.14 0.21 -0.04 4.32 4.36 2oasA1 THR 21 HG23 0.06 0.02 -0.02 -0.04 1.22 1.23 2oasA1 LEU 22 H 0.02 0.91 0.46 -0.55 8.37 9.22 2oasA1 LEU 22 HA 0.05 0.25 1.16 -0.75 4.35 5.05 2oasA1 LEU 22 HB2 -0.01 -0.03 0.09 -0.04 1.64 1.65 2oasA1 LEU 22 HB3 0.00 0.00 0.05 -0.04 1.64 1.66 2oasA1 LEU 22 HG 0.00 0.05 -0.24 -0.04 1.64 1.41 2oasA1 LEU 22 HD13 -0.01 -0.01 -0.13 -0.04 0.93 0.74 2oasA1 LEU 22 HD23 0.02 -0.01 -0.11 -0.04 0.89 0.75 2oasA1 TRP 23 H 0.15 0.59 0.50 -0.55 7.97 8.66 2oasA1 TRP 23 HA 0.01 0.29 0.99 -0.75 4.62 5.16 2oasA1 TRP 23 HB2 -0.14 0.04 -0.06 -0.04 3.23 3.03 2oasA1 TRP 23 HB3 -0.11 0.00 0.05 -0.04 3.23 3.13 2oasA1 TRP 23 HD1 -0.05 -0.03 -0.31 -0.04 7.22 6.79 2oasA1 TRP 23 HE1 0.03 -0.13 -0.23 -0.04 10.20 9.84 2oasA1 TRP 23 HE3 0.27 0.05 -0.13 -0.04 7.59 7.74 2oasA1 TRP 23 HZ2 0.15 -0.20 -0.11 -0.04 7.44 7.24 2oasA1 TRP 23 HZ3 0.65 0.00 -0.19 -0.04 7.13 7.56 2oasA1 TRP 23 HH2 0.26 -0.10 -0.15 -0.04 7.19 7.15 2oasA1 THR 24 H -1.33 0.35 0.22 -0.55 8.28 6.97 2oasA1 THR 24 HA -0.28 0.24 1.16 -0.75 4.39 4.76 2oasA1 THR 24 HB -0.22 -0.01 -0.06 -0.04 4.32 3.99 2oasA1 THR 24 HG23 -0.40 0.03 -0.03 -0.04 1.22 0.78 2oasA1 HIS 25 H -0.04 0.55 0.32 -0.55 8.41 8.70 2oasA1 HIS 25 HA 0.10 -0.04 0.43 -0.75 4.63 4.36 2oasA1 HIS 25 HB2 -0.02 0.06 0.34 -0.04 3.26 3.60 2oasA1 HIS 25 HB3 -0.05 0.04 -0.22 -0.04 3.20 2.94 2oasA1 HIS 25 HD2 0.11 -0.22 0.12 -0.04 6.97 6.93 2oasA1 HIS 25 HE1 -0.02 0.19 0.29 -0.04 7.75 8.16 2oasA1 SER 26 H 0.18 0.06 0.11 -0.55 8.46 8.26 2oasA1 SER 26 HA -0.12 0.25 0.83 -0.75 4.49 4.69 2oasA1 SER 26 HB2 -0.01 -0.08 0.11 -0.04 3.95 3.93 2oasA1 SER 26 HB3 -0.10 0.21 0.05 -0.04 3.93 4.05 2oasA1 GLY 28 HA2 -0.03 -0.10 0.26 -0.51 4.01 3.64 2oasA1 GLY 28 HA3 -0.06 0.07 0.32 -0.51 4.01 3.84 2oasA1 ALA 29 H -0.20 0.46 -0.46 -0.55 8.40 7.65 2oasA1 ALA 29 HA -0.24 0.16 0.69 -0.75 4.34 4.20 2oasA1 ALA 29 HB3 -0.79 -0.00 0.14 -0.04 1.41 0.72 2oasA1 THR 30 H -0.11 0.02 -0.49 -0.55 8.28 7.15 2oasA1 THR 30 HA -0.06 0.38 0.28 -0.75 4.39 4.23 2oasA1 THR 30 HB -0.04 0.09 0.09 -0.04 4.32 4.42 2oasA1 THR 30 HG23 -0.06 -0.03 -0.20 -0.04 1.22 0.90 2oasA1 PRO 31 HA 0.07 0.14 0.49 -0.51 4.44 4.62 2oasA1 PRO 31 HB2 0.00 -0.10 0.15 -0.04 2.28 2.29 2oasA1 PRO 31 HB3 0.08 0.08 -0.01 -0.04 2.02 2.13 2oasA1 PRO 31 HG2 0.03 0.08 -0.29 -0.04 2.03 1.81 2oasA1 PRO 31 HG3 0.12 0.09 -0.08 -0.04 2.03 2.12 2oasA1 PRO 31 HD2 -0.04 0.03 0.12 -0.04 3.68 3.76 2oasA1 PRO 31 HD3 0.02 0.24 0.18 -0.04 3.65 4.04 2oasA1 LYS 32 H -0.01 0.71 0.10 -0.55 8.42 8.66 2oasA1 LYS 32 HA -0.03 0.02 0.26 -0.75 4.32 3.81 2oasA1 LYS 32 HB2 -0.01 0.15 0.10 -0.04 1.87 2.07 2oasA1 LYS 32 HB3 -0.01 -0.02 0.10 -0.04 1.79 1.81 2oasA1 LYS 32 HG2 -0.02 -0.08 -0.14 -0.04 1.46 1.18 2oasA1 LYS 32 HG3 -0.01 0.22 0.12 -0.04 1.46 1.75 2oasA1 LYS 32 HD2 0.01 -0.01 0.07 -0.04 1.69 1.71 2oasA1 LYS 32 HD3 0.00 -0.01 -0.00 -0.04 1.68 1.64 2oasA1 LYS 32 HE2 0.00 0.02 0.07 -0.04 2.99 3.04 2oasA1 LYS 32 HE3 0.01 -0.04 0.01 -0.04 2.99 2.93 2oasA1 VAL 33 H -0.10 0.19 -0.17 -0.55 8.24 7.60 2oasA1 VAL 33 HA -0.09 0.06 0.33 -0.75 4.13 3.67 2oasA1 VAL 33 HB -0.62 0.02 -0.03 -0.04 2.12 1.46 2oasA1 VAL 33 HG13 -0.04 0.00 -0.14 -0.04 0.97 0.75 2oasA1 VAL 33 HG23 -0.15 0.03 -0.03 -0.04 0.95 0.76 2oasA1 LEU 34 H -0.11 0.20 -0.33 -0.55 8.37 7.59 2oasA1 LEU 34 HA -0.09 0.05 0.56 -0.75 4.35 4.11 2oasA1 LEU 34 HB2 -0.02 0.02 0.07 -0.04 1.64 1.67 2oasA1 LEU 34 HB3 -0.03 0.06 -0.10 -0.04 1.64 1.52 2oasA1 LEU 34 HG -0.03 0.01 -0.08 -0.04 1.64 1.51 2oasA1 LEU 34 HD13 0.01 -0.02 -0.11 -0.04 0.93 0.77 2oasA1 LEU 34 HD23 0.05 0.02 -0.19 -0.04 0.89 0.73 2oasA1 LEU 35 H -0.05 0.76 0.02 -0.55 8.37 8.56 2oasA1 LEU 35 HA -0.03 0.07 0.35 -0.75 4.35 3.98 2oasA1 LEU 35 HB2 -0.03 0.02 -0.03 -0.04 1.64 1.55 2oasA1 LEU 35 HB3 -0.02 -0.05 -0.06 -0.04 1.64 1.47 2oasA1 LEU 35 HG -0.04 0.11 -0.09 -0.04 1.64 1.57 2oasA1 LEU 35 HD13 -0.05 -0.01 -0.19 -0.04 0.93 0.63 2oasA1 LEU 35 HD23 -0.05 0.01 -0.09 -0.04 0.89 0.72 2oasA1 ASP 36 H -0.05 0.62 -0.29 -0.55 8.40 8.13 2oasA1 ASP 36 HA -0.03 0.02 0.42 -0.75 4.63 4.28 2oasA1 ASP 36 HB2 -0.05 0.12 0.07 -0.04 2.71 2.80 2oasA1 ASP 36 HB3 -0.04 -0.03 -0.03 -0.04 2.70 2.55 2oasA1 ALA 37 H -0.07 0.31 -0.36 -0.55 8.40 7.73 2oasA1 ALA 37 HA -0.06 0.05 0.42 -0.75 4.34 3.99 2oasA1 ALA 37 HB3 -0.11 0.03 -0.07 -0.04 1.41 1.22 2oasA1 LEU 38 H -0.03 0.38 -0.36 -0.55 8.37 7.80 2oasA1 LEU 38 HA 0.05 0.03 0.41 -0.75 4.35 4.08 2oasA1 LEU 38 HB2 -0.01 0.03 0.01 -0.04 1.64 1.63 2oasA1 LEU 38 HB3 -0.02 0.12 0.04 -0.04 1.64 1.73 2oasA1 LEU 38 HG -0.01 0.01 -0.17 -0.04 1.64 1.43 2oasA1 LEU 38 HD13 0.07 -0.01 -0.06 -0.04 0.93 0.89 2oasA1 LEU 38 HD23 -0.02 -0.00 -0.11 -0.04 0.89 0.71 2oasA1 ALA 39 H -0.03 0.23 -0.61 -0.55 8.40 7.45 2oasA1 ALA 39 HA -0.03 0.06 0.27 -0.75 4.34 3.89 2oasA1 ALA 39 HB3 -0.04 0.05 -0.01 -0.04 1.41 1.37 2oasA1 LYS 40 H -0.02 0.19 -0.64 -0.55 8.42 7.39 2oasA1 LYS 40 HA -0.07 0.21 0.87 -0.75 4.32 4.58 2oasA1 LYS 40 HB2 -0.03 0.05 0.11 -0.04 1.87 1.95 2oasA1 LYS 40 HB3 -0.03 -0.01 -0.05 -0.04 1.79 1.66 2oasA1 LYS 40 HG2 -0.05 -0.03 -0.03 -0.04 1.46 1.31 2oasA1 LYS 40 HG3 -0.07 0.07 -0.11 -0.04 1.46 1.31 2oasA1 LYS 40 HD2 -0.06 -0.03 -0.08 -0.04 1.69 1.47 2oasA1 LYS 40 HD3 -0.05 0.11 -0.08 -0.04 1.68 1.62 2oasA1 LYS 40 HE2 -0.05 -0.00 0.01 -0.04 2.99 2.91 2oasA1 LYS 40 HE3 -0.05 -0.02 -0.03 -0.04 2.99 2.86 2oasA1 HIS 41 H 0.07 0.48 0.14 -0.55 8.41 8.55 2oasA1 HIS 41 HA -0.04 0.03 0.33 -0.75 4.63 4.19 2oasA1 HIS 41 HB2 -0.05 -0.04 0.06 -0.04 3.26 3.19 2oasA1 HIS 41 HB3 -0.05 -0.03 0.04 -0.04 3.20 3.12 2oasA1 HIS 41 HD2 -0.03 -0.05 -0.23 -0.04 6.97 6.61 2oasA1 HIS 41 HE1 -0.02 -0.01 0.02 -0.04 7.75 7.70 2oasA1 ALA 42 H -0.02 0.44 -0.33 -0.55 8.40 7.94 2oasA1 ALA 42 HA -0.15 0.03 0.28 -0.75 4.34 3.75 2oasA1 ALA 42 HB3 -0.04 0.01 -0.08 -0.04 1.41 1.26 2oasA1 LEU 43 H -0.14 0.48 -0.60 -0.55 8.37 7.56 2oasA1 LEU 43 HA -0.61 0.07 0.35 -0.75 4.35 3.41 2oasA1 LEU 43 HB2 -0.13 0.12 0.08 -0.04 1.64 1.66 2oasA1 LEU 43 HB3 -0.20 -0.08 0.06 -0.04 1.64 1.37 2oasA1 LEU 43 HG -0.15 0.09 0.07 -0.04 1.64 1.62 2oasA1 LEU 43 HD13 -0.11 -0.05 0.05 -0.04 0.93 0.77 2oasA1 LEU 43 HD23 -0.31 -0.04 -0.07 -0.04 0.89 0.43 2oasA1 THR 44 H -0.16 0.42 -0.43 -0.55 8.28 7.56 2oasA1 THR 44 HA -0.01 0.09 0.70 -0.75 4.39 4.41 2oasA1 THR 44 HB -0.05 -0.09 0.13 -0.04 4.32 4.27 2oasA1 THR 44 HG23 -0.06 -0.01 -0.03 -0.04 1.22 1.07 2oasA1 LEU 45 H -0.04 0.44 -0.31 -0.55 8.37 7.92 2oasA1 LEU 45 HA -0.04 0.11 0.87 -0.75 4.35 4.54 2oasA1 LEU 45 HB2 -0.05 0.08 0.01 -0.04 1.64 1.64 2oasA1 LEU 45 HB3 -0.04 -0.17 0.10 -0.04 1.64 1.49 2oasA1 LEU 45 HG -0.37 0.09 -0.14 -0.04 1.64 1.19 2oasA1 LEU 45 HD13 -0.08 0.01 -0.32 -0.04 0.93 0.50 2oasA1 LEU 45 HD23 -0.13 0.01 -0.16 -0.04 0.89 0.56 2oasA1 ASP 46 H -0.02 0.15 0.28 -0.55 8.40 8.26 2oasA1 ASP 46 HA -0.04 0.19 0.63 -0.75 4.63 4.66 2oasA1 ASP 46 HB2 -0.11 0.04 0.25 -0.04 2.71 2.85 2oasA1 ASP 46 HB3 -0.10 0.20 -0.02 -0.04 2.70 2.73 2oasA1 ASN 47 H -0.05 0.30 0.16 -0.55 8.53 8.39 2oasA1 ASN 47 HA -0.03 0.03 0.27 -0.75 4.76 4.27 2oasA1 ASN 47 HB2 -0.02 0.05 0.17 -0.04 2.88 3.03 2oasA1 ASN 47 HB3 -0.02 0.02 0.21 -0.04 2.79 2.96 2oasA1 ASN 47 HD21 -0.03 -0.00 -0.07 -0.04 7.03 6.89 2oasA1 ASN 47 HD22 -0.02 0.02 -0.14 -0.04 7.74 7.56 2oasA1 ILE 48 H -0.02 0.59 -0.08 -0.55 8.25 8.19 2oasA1 ILE 48 HA -0.02 0.26 0.79 -0.75 4.18 4.46 2oasA1 ILE 48 HB -0.03 0.06 0.15 -0.04 1.89 2.03 2oasA1 ILE 48 HG12 -0.01 -0.02 -0.17 -0.04 1.49 1.24 2oasA1 ILE 48 HG13 -0.02 -0.03 -0.12 -0.04 1.21 1.00 2oasA1 ILE 48 HG23 -0.03 -0.02 -0.23 -0.04 0.93 0.60 2oasA1 ILE 48 HD13 -0.01 0.00 -0.05 -0.04 0.88 0.79 2oasA1 THR 49 H -0.02 0.61 0.31 -0.55 8.28 8.63 2oasA1 THR 49 HA -0.06 0.22 0.96 -0.75 4.39 4.76 2oasA1 THR 49 HB -0.00 -0.03 0.17 -0.04 4.32 4.42 2oasA1 THR 49 HG23 -0.01 -0.01 -0.15 -0.04 1.22 1.00 2oasA1 LEU 50 H -0.09 0.54 0.29 -0.55 8.37 8.56 2oasA1 LEU 50 HA -0.03 0.21 1.08 -0.75 4.35 4.85 2oasA1 LEU 50 HB2 -0.12 0.02 -0.17 -0.04 1.64 1.33 2oasA1 LEU 50 HB3 -0.16 -0.07 0.09 -0.04 1.64 1.47 2oasA1 LEU 50 HG -0.09 0.04 -0.19 -0.04 1.64 1.36 2oasA1 LEU 50 HD13 -0.07 -0.02 -0.15 -0.04 0.93 0.66 2oasA1 LEU 50 HD23 -0.06 -0.00 -0.42 -0.04 0.89 0.37 2oasA1 LEU 51 H 0.07 0.85 0.37 -0.55 8.37 9.11 2oasA1 LEU 51 HA -0.07 0.26 0.74 -0.75 4.35 4.52 2oasA1 LEU 51 HB2 0.47 0.07 0.19 -0.04 1.64 2.34 2oasA1 LEU 51 HB3 0.64 -0.07 0.05 -0.04 1.64 2.22 2oasA1 LEU 51 HG 0.12 -0.02 -0.02 -0.04 1.64 1.68 2oasA1 LEU 51 HD13 0.37 0.00 -0.10 -0.04 0.93 1.16 2oasA1 LEU 51 HD23 -0.07 0.00 -0.02 -0.04 0.89 0.76 2oasA1 GLN 52 H -0.09 0.39 0.42 -0.55 8.47 8.64 2oasA1 GLN 52 HA -0.75 0.07 0.54 -0.75 4.36 3.47 2oasA1 GLN 52 HB2 -0.26 -0.08 0.05 -0.04 2.15 1.82 2oasA1 GLN 52 HB3 -0.21 0.13 -0.49 -0.04 2.02 1.40 2oasA1 GLN 52 HG2 -0.05 -0.05 -0.15 -0.04 2.40 2.11 2oasA1 GLN 52 HG3 -0.05 0.34 -0.20 -0.04 2.39 2.44 2oasA1 GLN 52 HE21 -0.13 -0.06 -0.15 -0.04 6.97 6.59 2oasA1 GLN 52 HE22 -0.11 0.06 -0.08 -0.04 7.69 7.53 2oasA1 LEU 53 H -0.14 0.18 0.01 -0.55 8.37 7.87 2oasA1 LEU 53 HA 0.29 0.08 0.77 -0.75 4.35 4.73 2oasA1 LEU 53 HB2 0.09 0.02 0.08 -0.04 1.64 1.78 2oasA1 LEU 53 HB3 0.01 -0.21 0.23 -0.04 1.64 1.63 2oasA1 LEU 53 HG 0.22 0.00 0.03 -0.04 1.64 1.85 2oasA1 LEU 53 HD13 0.69 0.05 -0.17 -0.04 0.93 1.46 2oasA1 LEU 53 HD23 0.25 -0.00 0.02 -0.04 0.89 1.12 2oasA1 HIS 54 H -0.01 0.06 0.10 -0.55 8.41 8.02 2oasA1 HIS 54 HA 0.07 0.11 0.31 -0.75 4.63 4.37 2oasA1 HIS 54 HB2 -0.27 0.01 0.07 -0.04 3.26 3.03 2oasA1 HIS 54 HB3 -0.25 -0.04 0.11 -0.04 3.20 2.98 2oasA1 HIS 54 HD2 0.28 0.11 0.07 -0.04 6.97 7.39 2oasA1 HIS 54 HE1 -0.10 -0.05 -0.00 -0.04 7.75 7.55 2oasA1 THR 55 H -0.32 0.10 0.19 -0.55 8.28 7.70 2oasA1 THR 55 HA -0.06 0.20 1.00 -0.75 4.39 4.77 2oasA1 THR 55 HB -0.13 0.14 -0.09 -0.04 4.32 4.21 2oasA1 THR 55 HG23 -0.16 -0.03 -0.13 -0.04 1.22 0.86 2oasA1 GLU 56 H -0.04 0.29 0.13 -0.55 8.60 8.43 2oasA1 GLU 56 HA 0.00 0.10 0.98 -0.75 4.29 4.62 2oasA1 GLU 56 HB2 0.02 0.08 0.08 -0.04 2.09 2.23 2oasA1 GLU 56 HB3 0.08 -0.03 0.03 -0.04 1.99 2.03 2oasA1 GLU 56 HG2 0.12 -0.06 -0.59 -0.04 2.34 1.78 2oasA1 GLU 56 HG3 0.02 0.18 -0.03 -0.04 2.34 2.47 2oasA1 GLY 57 H 0.02 0.14 0.13 -0.55 8.43 8.17 2oasA1 GLY 57 HA2 0.02 0.01 0.34 -0.51 4.01 3.87 2oasA1 GLY 57 HA3 0.02 0.16 0.43 -0.51 4.01 4.11 2oasA1 ALA 58 H -0.04 0.07 -0.35 -0.55 8.40 7.53 2oasA1 ALA 58 HA -0.02 0.26 0.81 -0.75 4.34 4.63 2oasA1 ALA 58 HB3 -0.04 0.04 -0.10 -0.04 1.41 1.27 2oasA1 GLU 59 H -0.02 0.12 -0.30 -0.55 8.60 7.85 2oasA1 GLU 59 HA -0.05 0.15 0.36 -0.75 4.29 4.00 2oasA1 GLU 59 HB2 -0.01 0.10 0.03 -0.04 2.09 2.18 2oasA1 GLU 59 HB3 -0.03 -0.02 0.04 -0.04 1.99 1.94 2oasA1 GLU 59 HG2 0.01 0.05 -0.13 -0.04 2.34 2.23 2oasA1 GLU 59 HG3 0.01 0.07 -0.06 -0.04 2.34 2.32 2oasA1 SER 60 H -0.00 0.07 -0.55 -0.55 8.46 7.43 2oasA1 SER 60 HA 0.03 0.12 0.44 -0.75 4.49 4.32 2oasA1 SER 60 HB2 -0.03 0.08 0.03 -0.04 3.95 3.99 2oasA1 SER 60 HB3 -0.01 -0.03 0.01 -0.04 3.93 3.85 2oasA1 LEU 61 H 0.02 0.29 -0.32 -0.55 8.37 7.82 2oasA1 LEU 61 HA 0.06 0.18 0.50 -0.75 4.35 4.33 2oasA1 LEU 61 HB2 0.12 0.09 -0.01 -0.04 1.64 1.80 2oasA1 LEU 61 HB3 0.21 0.03 0.01 -0.04 1.64 1.85 2oasA1 LEU 61 HG 0.01 -0.10 -0.14 -0.04 1.64 1.38 2oasA1 LEU 61 HD13 0.01 -0.02 -0.09 -0.04 0.93 0.80 2oasA1 LEU 61 HD23 -0.00 0.03 -0.18 -0.04 0.89 0.69 2oasA1 SER 62 H 0.04 0.21 -0.71 -0.55 8.46 7.46 2oasA1 SER 62 HA 0.12 0.22 0.77 -0.75 4.49 4.84 2oasA1 SER 62 HB2 -0.08 0.02 0.16 -0.04 3.95 4.02 2oasA1 SER 62 HB3 -0.15 -0.07 -0.05 -0.04 3.93 3.62 2oasA1 HIS 63 H 0.14 0.22 -0.35 -0.55 8.41 7.88 2oasA1 HIS 63 HA -0.00 0.10 0.51 -0.75 4.63 4.48 2oasA1 HIS 63 HB2 -0.01 0.06 0.14 -0.04 3.26 3.42 2oasA1 HIS 63 HB3 -0.01 0.04 0.10 -0.04 3.20 3.28 2oasA1 HIS 63 HD2 -0.01 -0.02 0.03 -0.04 6.97 6.93 2oasA1 HIS 63 HE1 -0.01 0.03 0.01 -0.04 7.75 7.74 2oasA1 PRO 64 HA -0.03 0.10 0.38 -0.51 4.44 4.38 2oasA1 PRO 64 HB2 -0.16 0.00 0.05 -0.04 2.28 2.14 2oasA1 PRO 64 HB3 -0.08 0.05 0.11 -0.04 2.02 2.07 2oasA1 PRO 64 HG2 -0.22 0.01 0.10 -0.04 2.03 1.88 2oasA1 PRO 64 HG3 -0.14 0.09 0.12 -0.04 2.03 2.06 2oasA1 PRO 64 HD2 -1.19 0.05 0.21 -0.04 3.68 2.71 2oasA1 PRO 64 HD3 -0.34 0.19 0.29 -0.04 3.65 3.75 2oasA1 SER 65 H 0.36 0.03 -0.43 -0.55 8.46 7.87 2oasA1 SER 65 HA 0.09 0.09 0.39 -0.75 4.49 4.30 2oasA1 SER 65 HB2 0.02 0.06 0.07 -0.04 3.95 4.05 2oasA1 SER 65 HB3 0.20 -0.07 0.07 -0.04 3.93 4.09 2oasA1 LEU 66 H 0.09 0.62 -0.31 -0.55 8.37 8.22 2oasA1 LEU 66 HA -0.01 0.16 0.62 -0.75 4.35 4.36 2oasA1 LEU 66 HB2 0.06 0.17 -0.02 -0.04 1.64 1.81 2oasA1 LEU 66 HB3 0.02 -0.08 0.05 -0.04 1.64 1.60 2oasA1 LEU 66 HG 0.01 -0.04 -0.02 -0.04 1.64 1.55 2oasA1 LEU 66 HD13 -0.07 0.01 -0.11 -0.04 0.93 0.72 2oasA1 LEU 66 HD23 0.01 -0.02 -0.06 -0.04 0.89 0.79 2oasA1 LEU 67 H 0.08 0.44 -0.26 -0.55 8.37 8.08 2oasA1 LEU 67 HA 0.04 0.06 0.50 -0.75 4.35 4.20 2oasA1 LEU 67 HB2 0.04 0.09 0.19 -0.04 1.64 1.92 2oasA1 LEU 67 HB3 0.02 -0.04 0.05 -0.04 1.64 1.63 2oasA1 LEU 67 HG 0.02 -0.03 0.11 -0.04 1.64 1.70 2oasA1 LEU 67 HD13 -0.00 -0.02 0.06 -0.04 0.93 0.93 2oasA1 LEU 67 HD23 0.02 0.01 0.01 -0.04 0.89 0.89 2oasA1 GLY 68 H 0.00 0.19 0.18 -0.55 8.43 8.26 2oasA1 GLY 68 HA2 -0.07 -0.05 0.36 -0.51 4.01 3.74 2oasA1 GLY 68 HA3 -0.12 0.20 0.79 -0.51 4.01 4.37 2oasA1 HIS 69 H 0.15 0.49 -0.29 -0.55 8.41 8.21 2oasA1 HIS 69 HA -0.04 0.10 0.98 -0.75 4.63 4.92 2oasA1 HIS 69 HB2 -0.04 -0.03 0.02 -0.04 3.26 3.18 2oasA1 HIS 69 HB3 -0.05 0.14 -0.10 -0.04 3.20 3.15 2oasA1 HIS 69 HD2 -0.05 0.27 -0.02 -0.04 6.97 7.13 2oasA1 HIS 69 HE1 -0.01 -0.07 0.00 -0.04 7.75 7.63 2oasA1 LEU 70 H 0.06 0.66 0.29 -0.55 8.37 8.83 2oasA1 LEU 70 HA -0.05 0.31 0.98 -0.75 4.35 4.84 2oasA1 LEU 70 HB2 -0.05 -0.01 -0.17 -0.04 1.64 1.37 2oasA1 LEU 70 HB3 -0.05 0.01 0.01 -0.04 1.64 1.56 2oasA1 LEU 70 HG -0.36 -0.04 -0.34 -0.04 1.64 0.86 2oasA1 LEU 70 HD13 -0.17 -0.11 -0.12 -0.04 0.93 0.49 2oasA1 LEU 70 HD23 -0.11 -0.02 -0.16 -0.04 0.89 0.55 2oasA1 ARG 71 H -0.12 0.68 0.34 -0.55 8.46 8.81 2oasA1 ARG 71 HA -0.08 0.16 0.85 -0.75 4.34 4.51 2oasA1 ARG 71 HB2 -0.03 0.02 -0.08 -0.04 1.90 1.76 2oasA1 ARG 71 HB3 -0.05 -0.01 0.01 -0.04 1.80 1.71 2oasA1 ARG 71 HG2 -0.02 -0.04 -0.28 -0.04 1.67 1.29 2oasA1 ARG 71 HG3 0.00 0.16 0.15 -0.04 1.67 1.94 2oasA1 ARG 71 HD2 -0.02 -0.04 -0.10 -0.04 3.22 3.02 2oasA1 ARG 71 HD3 -0.01 -0.06 -0.14 -0.04 3.22 2.98 2oasA1 HIS 72 H 0.04 0.19 0.16 -0.55 8.41 8.25 2oasA1 HIS 72 HA -0.05 0.19 0.81 -0.75 4.63 4.82 2oasA1 HIS 72 HB2 -0.04 -0.06 0.09 -0.04 3.26 3.21 2oasA1 HIS 72 HB3 -0.06 -0.01 -0.06 -0.04 3.20 3.03 2oasA1 HIS 72 HD2 -0.03 0.02 -0.03 -0.04 6.97 6.88 2oasA1 HIS 72 HE1 -0.05 -0.09 -0.21 -0.04 7.75 7.37 2oasA1 ARG 73 H -0.02 0.78 0.20 -0.55 8.46 8.86 2oasA1 ARG 73 HA -0.05 0.15 0.84 -0.75 4.34 4.53 2oasA1 ARG 73 HB2 -0.05 0.01 -0.13 -0.04 1.90 1.69 2oasA1 ARG 73 HB3 -0.12 -0.05 0.05 -0.04 1.80 1.64 2oasA1 ARG 73 HG2 -0.25 -0.03 -0.19 -0.04 1.67 1.16 2oasA1 ARG 73 HG3 -0.07 0.01 -0.09 -0.04 1.67 1.47 2oasA1 ARG 73 HD2 -0.02 0.02 -0.09 -0.04 3.22 3.09 2oasA1 ARG 73 HD3 -0.02 -0.01 -0.08 -0.04 3.22 3.07 2oasA1 CYS 74 H -0.02 0.83 0.23 -0.55 8.50 9.00 2oasA1 CYS 74 HA -0.09 0.19 0.99 -0.75 4.58 4.92 2oasA1 CYS 74 HB2 0.12 -0.00 -0.04 -0.04 2.97 3.01 2oasA1 CYS 74 HB3 0.09 0.01 -0.32 -0.04 2.97 2.71 2oasA1 PHE 75 H 0.11 0.67 0.42 -0.55 8.34 9.00 2oasA1 PHE 75 HA 0.05 0.32 0.76 -0.75 4.62 5.00 2oasA1 PHE 75 HB2 0.24 0.05 0.21 -0.04 3.15 3.61 2oasA1 PHE 75 HB3 0.15 -0.06 0.16 -0.04 3.06 3.27 2oasA1 PHE 75 HD2 0.25 0.09 0.00 -0.04 7.28 7.58 2oasA1 PHE 75 HE2 0.31 0.01 -0.08 -0.04 7.38 7.58 2oasA1 PHE 75 HZ 0.20 0.05 -0.08 -0.04 7.32 7.45 2oasA1 PHE 76 H 0.31 0.18 -0.10 -0.55 8.34 8.18 2oasA1 PHE 76 HA 0.25 0.14 0.51 -0.75 4.62 4.77 2oasA1 PHE 76 HB2 0.21 0.04 -0.25 -0.04 3.15 3.11 2oasA1 PHE 76 HB3 0.15 -0.18 -0.06 -0.04 3.06 2.92 2oasA1 PHE 76 HD2 0.15 0.06 -0.16 -0.04 7.28 7.28 2oasA1 PHE 76 HE2 0.19 0.04 -0.08 -0.04 7.38 7.49 2oasA1 PHE 76 HZ 0.13 0.03 0.01 -0.04 7.32 7.45 2oasA1 GLY 77 H -0.28 0.98 0.12 -0.55 8.43 8.71 2oasA1 GLY 77 HA2 -0.06 0.03 0.42 -0.51 4.01 3.89 2oasA1 GLY 77 HA3 -0.20 0.13 0.17 -0.51 4.01 3.60 2oasA1 GLY 78 H -0.19 0.09 0.17 -0.55 8.43 7.96 2oasA1 GLY 78 HA2 -0.28 0.23 0.81 -0.51 4.01 4.26 2oasA1 GLY 78 HA3 -0.43 -0.01 0.38 -0.51 4.01 3.44 2oasA1 VAL 79 H -0.25 0.17 0.20 -0.55 8.24 7.81 2oasA1 VAL 79 HA -0.17 0.11 0.45 -0.75 4.13 3.77 2oasA1 VAL 79 HB -0.12 -0.02 0.16 -0.04 2.12 2.10 2oasA1 VAL 79 HG13 -0.07 0.01 -0.07 -0.04 0.97 0.81 2oasA1 VAL 79 HG23 -0.13 0.01 0.11 -0.04 0.95 0.90 2oasA1 PRO 80 HA -0.11 0.19 0.53 -0.51 4.44 4.54 2oasA1 PRO 80 HB2 -0.15 0.14 -0.13 -0.04 2.28 2.10 2oasA1 PRO 80 HB3 -0.09 -0.08 -0.04 -0.04 2.02 1.76 2oasA1 PRO 80 HG2 -0.20 0.11 -0.19 -0.04 2.03 1.71 2oasA1 PRO 80 HG3 -0.14 -0.08 -0.19 -0.04 2.03 1.58 2oasA1 PRO 80 HD2 -0.23 -0.04 -0.02 -0.04 3.68 3.35 2oasA1 PRO 80 HD3 -0.14 0.06 0.10 -0.04 3.65 3.63 2oasA1 THR 81 H -0.19 0.15 -0.48 -0.55 8.28 7.21 2oasA1 THR 81 HA -0.21 0.29 0.97 -0.75 4.39 4.68 2oasA1 THR 81 HB -0.14 0.03 -0.04 -0.04 4.32 4.12 2oasA1 THR 81 HG23 -0.33 0.02 -0.19 -0.04 1.22 0.68 2oasA1 ARG 82 H -0.18 0.48 0.10 -0.55 8.46 8.31 2oasA1 ARG 82 HA -0.15 0.06 0.38 -0.75 4.34 3.88 2oasA1 ARG 82 HB2 -0.15 0.07 0.17 -0.04 1.90 1.94 2oasA1 ARG 82 HB3 -0.12 -0.03 0.00 -0.04 1.80 1.61 2oasA1 ARG 82 HG2 -0.33 0.10 0.12 -0.04 1.67 1.53 2oasA1 ARG 82 HG3 -0.30 0.13 0.08 -0.04 1.67 1.55 2oasA1 ARG 82 HD2 -0.26 -0.03 -0.01 -0.04 3.22 2.88 2oasA1 ARG 82 HD3 -0.52 -0.06 -0.00 -0.04 3.22 2.59 2oasA1 PRO 83 HA -0.04 0.06 0.44 -0.51 4.44 4.38 2oasA1 PRO 83 HB2 -0.04 0.07 -0.05 -0.04 2.28 2.22 2oasA1 PRO 83 HB3 -0.04 0.00 0.07 -0.04 2.02 2.00 2oasA1 PRO 83 HG2 -0.08 0.07 -0.13 -0.04 2.03 1.86 2oasA1 PRO 83 HG3 -0.07 0.06 -0.02 -0.04 2.03 1.97 2oasA1 PRO 83 HD2 -0.12 -0.07 -0.42 -0.04 3.68 3.03 2oasA1 PRO 83 HD3 -0.09 0.15 0.09 -0.04 3.65 3.77 2oasA1 LEU 84 H -0.08 0.22 -0.45 -0.55 8.37 7.51 2oasA1 LEU 84 HA -0.03 0.11 0.49 -0.75 4.35 4.17 2oasA1 LEU 84 HB2 -0.08 0.08 0.13 -0.04 1.64 1.72 2oasA1 LEU 84 HB3 -0.01 -0.05 -0.13 -0.04 1.64 1.41 2oasA1 LEU 84 HG 0.01 0.01 -0.03 -0.04 1.64 1.58 2oasA1 LEU 84 HD13 -0.05 0.04 -0.06 -0.04 0.93 0.82 2oasA1 LEU 84 HD23 0.01 0.02 -0.01 -0.04 0.89 0.87 2oasA1 LEU 85 H -0.07 0.59 -0.01 -0.55 8.37 8.34 2oasA1 LEU 85 HA -0.01 0.09 0.42 -0.75 4.35 4.09 2oasA1 LEU 85 HB2 -0.09 0.10 0.14 -0.04 1.64 1.74 2oasA1 LEU 85 HB3 -0.06 -0.04 -0.04 -0.04 1.64 1.46 2oasA1 LEU 85 HG -0.06 0.05 -0.13 -0.04 1.64 1.46 2oasA1 LEU 85 HD13 -0.12 -0.03 -0.22 -0.04 0.93 0.52 2oasA1 LEU 85 HD23 0.04 0.03 -0.44 -0.04 0.89 0.48 2oasA1 GLN 86 H -0.05 0.67 -0.00 -0.55 8.47 8.54 2oasA1 GLN 86 HA -0.03 0.01 0.43 -0.75 4.36 4.02 2oasA1 GLN 86 HB2 -0.03 0.06 0.08 -0.04 2.15 2.23 2oasA1 GLN 86 HB3 -0.02 -0.05 0.05 -0.04 2.02 1.96 2oasA1 GLN 86 HG2 -0.03 -0.15 0.01 -0.04 2.40 2.19 2oasA1 GLN 86 HG3 -0.05 0.23 0.11 -0.04 2.39 2.64 2oasA1 GLN 86 HE21 -0.00 -0.06 -0.08 -0.04 6.97 6.78 2oasA1 GLN 86 HE22 -0.03 0.05 -0.13 -0.04 7.69 7.54 2oasA1 SER 87 H -0.02 0.23 -0.54 -0.55 8.46 7.59 2oasA1 SER 87 HA -0.01 0.09 0.65 -0.75 4.49 4.47 2oasA1 SER 87 HB2 -0.01 -0.06 0.16 -0.04 3.95 4.00 2oasA1 SER 87 HB3 -0.02 -0.02 0.11 -0.04 3.93 3.96 2oasA1 GLY 88 H -0.01 0.39 -0.56 -0.55 8.43 7.70 2oasA1 GLY 88 HA2 0.00 0.09 0.38 -0.51 4.01 3.97 2oasA1 GLY 88 HA3 -0.00 -0.01 0.40 -0.51 4.01 3.89 2oasA1 ASP 89 H -0.00 0.58 -0.04 -0.55 8.40 8.39 2oasA1 ASP 89 HA 0.01 0.16 0.76 -0.75 4.63 4.80 2oasA1 ASP 89 HB2 0.01 -0.08 0.06 -0.04 2.71 2.65 2oasA1 ASP 89 HB3 0.02 -0.04 0.10 -0.04 2.70 2.73 2oasA1 ALA 90 H 0.01 0.24 -0.09 -0.55 8.40 8.01 2oasA1 ALA 90 HA 0.04 0.21 0.86 -0.75 4.34 4.70 2oasA1 ALA 90 HB3 0.04 -0.02 -0.12 -0.04 1.41 1.27 2oasA1 ASP 91 H 0.03 0.67 0.31 -0.55 8.40 8.85 2oasA1 ASP 91 HA 0.04 0.20 0.97 -0.75 4.63 5.08 2oasA1 ASP 91 HB2 -0.01 -0.02 0.12 -0.04 2.71 2.76 2oasA1 ASP 91 HB3 0.00 0.02 -0.06 -0.04 2.70 2.62 2oasA1 TYR 92 H 0.12 0.25 0.14 -0.55 8.29 8.26 2oasA1 TYR 92 HA -0.03 0.23 0.95 -0.75 4.56 4.96 2oasA1 TYR 92 HB2 -0.03 -0.05 -0.08 -0.04 3.06 2.86 2oasA1 TYR 92 HB3 -0.02 0.02 0.11 -0.04 2.98 3.05 2oasA1 TYR 92 HD2 -0.01 0.04 -0.14 -0.04 7.15 7.00 2oasA1 TYR 92 HE2 -0.02 -0.01 -0.13 -0.04 6.85 6.66 2oasA1 VAL 93 H -0.18 0.81 0.17 -0.55 8.24 8.49 2oasA1 VAL 93 HA -0.21 0.21 0.89 -0.75 4.13 4.26 2oasA1 VAL 93 HB 0.10 -0.04 -0.00 -0.04 2.12 2.13 2oasA1 VAL 93 HG13 0.14 0.01 -0.18 -0.04 0.97 0.89 2oasA1 VAL 93 HG23 -0.04 -0.00 -0.24 -0.04 0.95 0.62 2oasA1 PRO 94 HA -0.34 -0.04 0.56 -0.51 4.44 4.11 2oasA1 PRO 94 HB2 -0.14 -0.00 0.01 -0.04 2.28 2.11 2oasA1 PRO 94 HB3 -0.16 -0.02 0.06 -0.04 2.02 1.85 2oasA1 PRO 94 HG2 -0.14 0.03 0.14 -0.04 2.03 2.02 2oasA1 PRO 94 HG3 -0.09 0.04 0.07 -0.04 2.03 2.00 2oasA1 PRO 94 HD2 -0.20 0.12 0.25 -0.04 3.68 3.81 2oasA1 PRO 94 HD3 -0.45 0.20 0.06 -0.04 3.65 3.41 2oasA1 ILE 95 H -0.08 0.13 0.28 -0.55 8.25 8.03 2oasA1 ILE 95 HA -0.33 0.05 0.54 -0.75 4.18 3.69 2oasA1 ILE 95 HB -0.13 0.18 -0.20 -0.04 1.89 1.69 2oasA1 ILE 95 HG12 -0.18 0.27 -0.26 -0.04 1.49 1.27 2oasA1 ILE 95 HG13 -0.18 -0.09 0.06 -0.04 1.21 0.96 2oasA1 ILE 95 HG23 -0.20 0.03 -0.05 -0.04 0.93 0.66 2oasA1 ILE 95 HD13 -0.33 0.00 -0.21 -0.04 0.88 0.30 2oasA1 PHE 96 H -0.54 0.15 0.14 -0.55 8.34 7.54 2oasA1 PHE 96 HA 0.04 0.12 0.50 -0.75 4.62 4.52 2oasA1 PHE 96 HB2 -0.04 -0.06 0.11 -0.04 3.15 3.12 2oasA1 PHE 96 HB3 -0.02 0.02 0.16 -0.04 3.06 3.18 2oasA1 PHE 96 HD2 -0.00 0.01 0.04 -0.04 7.28 7.29 2oasA1 PHE 96 HE2 0.00 0.05 0.02 -0.04 7.38 7.42 2oasA1 PHE 96 HZ 0.02 0.03 0.01 -0.04 7.32 7.35 2oasA1 LEU 97 H 0.20 0.77 0.39 -0.55 8.37 9.18 2oasA1 LEU 97 HA 0.05 0.09 0.46 -0.75 4.35 4.20 2oasA1 LEU 97 HB2 0.17 0.13 0.04 -0.04 1.64 1.95 2oasA1 LEU 97 HB3 0.12 0.02 -0.02 -0.04 1.64 1.71 2oasA1 LEU 97 HG 0.12 0.04 0.11 -0.04 1.64 1.87 2oasA1 LEU 97 HD13 0.13 -0.02 0.05 -0.04 0.93 1.04 2oasA1 LEU 97 HD23 0.16 -0.01 -0.01 -0.04 0.89 0.99 2oasA1 SER 98 H 0.07 0.17 -0.08 -0.55 8.46 8.07 2oasA1 SER 98 HA -0.01 0.01 0.12 -0.75 4.49 3.86 2oasA1 SER 98 HB2 -0.05 0.07 -0.01 -0.04 3.95 3.92 2oasA1 SER 98 HB3 -0.05 0.08 -0.01 -0.04 3.93 3.91 2oasA1 GLU 99 H 0.03 0.25 -0.71 -0.55 8.60 7.63 2oasA1 GLU 99 HA -0.05 0.13 0.60 -0.75 4.29 4.21 2oasA1 GLU 99 HB2 -0.04 0.16 0.02 -0.04 2.09 2.19 2oasA1 GLU 99 HB3 -0.05 0.00 0.08 -0.04 1.99 1.98 2oasA1 GLU 99 HG2 0.26 -0.10 -0.02 -0.04 2.34 2.44 2oasA1 GLU 99 HG3 0.30 -0.04 0.06 -0.04 2.34 2.62 2oasA1 VAL 100 H -0.19 0.45 -0.22 -0.55 8.24 7.73 2oasA1 VAL 100 HA -0.62 0.06 0.36 -0.75 4.13 3.18 2oasA1 VAL 100 HB -0.31 0.03 0.12 -0.04 2.12 1.91 2oasA1 VAL 100 HG13 -0.92 -0.01 -0.10 -0.04 0.97 -0.10 2oasA1 VAL 100 HG23 -0.36 0.02 0.07 -0.04 0.95 0.64 2oasA1 PRO 101 HA -0.23 0.07 0.43 -0.51 4.44 4.20 2oasA1 PRO 101 HB2 -0.08 0.10 0.01 -0.04 2.28 2.28 2oasA1 PRO 101 HB3 -0.06 0.03 0.08 -0.04 2.02 2.04 2oasA1 PRO 101 HG2 -0.05 -0.08 0.01 -0.04 2.03 1.87 2oasA1 PRO 101 HG3 -0.10 -0.04 0.07 -0.04 2.03 1.92 2oasA1 PRO 101 HD2 -0.13 0.35 -0.33 -0.04 3.68 3.53 2oasA1 PRO 101 HD3 -0.18 0.19 0.09 -0.04 3.65 3.71 2oasA1 LYS 102 H -0.16 0.23 -0.41 -0.55 8.42 7.53 2oasA1 LYS 102 HA -0.05 0.06 0.43 -0.75 4.32 3.99 2oasA1 LYS 102 HB2 -0.05 0.01 0.08 -0.04 1.87 1.86 2oasA1 LYS 102 HB3 -0.09 0.14 0.11 -0.04 1.79 1.91 2oasA1 LYS 102 HG2 -0.04 -0.04 -0.16 -0.04 1.46 1.17 2oasA1 LYS 102 HG3 -0.03 0.00 0.01 -0.04 1.46 1.40 2oasA1 LYS 102 HD2 -0.02 -0.02 -0.01 -0.04 1.69 1.59 2oasA1 LYS 102 HD3 -0.05 0.05 -0.06 -0.04 1.68 1.57 2oasA1 LYS 102 HE2 -0.02 0.00 -0.09 -0.04 2.99 2.84 2oasA1 LYS 102 HE3 -0.01 0.00 -0.03 -0.04 2.99 2.91 2oasA1 LEU 103 H -0.27 0.44 -0.16 -0.55 8.37 7.84 2oasA1 LEU 103 HA -0.07 0.00 0.38 -0.75 4.35 3.91 2oasA1 LEU 103 HB2 -0.26 0.04 0.10 -0.04 1.64 1.47 2oasA1 LEU 103 HB3 -0.49 0.12 0.06 -0.04 1.64 1.29 2oasA1 LEU 103 HG 0.04 -0.04 -0.11 -0.04 1.64 1.49 2oasA1 LEU 103 HD13 -0.03 -0.00 -0.03 -0.04 0.93 0.81 2oasA1 LEU 103 HD23 -0.04 -0.00 -0.09 -0.04 0.89 0.72 2oasA1 PHE 104 H -0.26 0.29 -0.36 -0.55 8.34 7.46 2oasA1 PHE 104 HA -0.06 0.25 0.56 -0.75 4.62 4.61 2oasA1 PHE 104 HB2 -0.15 0.02 0.08 -0.04 3.15 3.07 2oasA1 PHE 104 HB3 -0.13 0.06 -0.08 -0.04 3.06 2.87 2oasA1 PHE 104 HD2 -0.22 0.02 -0.21 -0.04 7.28 6.83 2oasA1 PHE 104 HE2 -0.61 -0.04 -0.14 -0.04 7.38 6.55 2oasA1 PHE 104 HZ -0.12 -0.07 -0.12 -0.04 7.32 6.97 2oasA1 ARG 105 H 0.05 0.61 0.11 -0.55 8.46 8.67 2oasA1 ARG 105 HA 0.04 0.10 0.38 -0.75 4.34 4.11 2oasA1 ARG 105 HB2 0.00 -0.00 0.16 -0.04 1.90 2.02 2oasA1 ARG 105 HB3 0.01 -0.02 -0.01 -0.04 1.80 1.74 2oasA1 ARG 105 HG2 0.02 0.01 0.03 -0.04 1.67 1.69 2oasA1 ARG 105 HG3 0.03 0.01 0.07 -0.04 1.67 1.75 2oasA1 ARG 105 HD2 -0.01 0.01 -0.08 -0.04 3.22 3.10 2oasA1 ARG 105 HD3 0.00 -0.03 -0.04 -0.04 3.22 3.12 2oasA1 SER 106 H 0.01 0.66 -0.17 -0.55 8.46 8.41 2oasA1 SER 106 HA 0.01 0.03 0.40 -0.75 4.49 4.18 2oasA1 SER 106 HB2 0.00 -0.06 0.11 -0.04 3.95 3.96 2oasA1 SER 106 HB3 -0.01 -0.00 0.11 -0.04 3.93 3.99 2oasA1 GLY 107 H 0.05 0.41 -0.87 -0.55 8.43 7.47 2oasA1 GLY 107 HA2 0.04 0.13 0.20 -0.51 4.01 3.87 2oasA1 GLY 107 HA3 0.03 0.03 0.36 -0.51 4.01 3.92 2oasA1 GLU 108 H 0.04 0.08 -0.43 -0.55 8.60 7.74 2oasA1 GLU 108 HA 0.03 0.04 0.38 -0.75 4.29 3.99 2oasA1 GLU 108 HB2 0.03 0.04 0.11 -0.04 2.09 2.23 2oasA1 GLU 108 HB3 0.03 -0.06 0.00 -0.04 1.99 1.92 2oasA1 GLU 108 HG2 0.01 -0.01 -0.01 -0.04 2.34 2.29 2oasA1 GLU 108 HG3 0.01 0.06 -0.09 -0.04 2.34 2.28 2oasA1 GLN 109 H 0.12 0.50 -0.13 -0.55 8.47 8.41 2oasA1 GLN 109 HA 0.11 0.11 0.85 -0.75 4.36 4.68 2oasA1 GLN 109 HB2 0.20 -0.05 -0.12 -0.04 2.15 2.14 2oasA1 GLN 109 HB3 0.35 -0.03 -0.10 -0.04 2.02 2.19 2oasA1 GLN 109 HG2 0.53 -0.11 -0.13 -0.04 2.40 2.65 2oasA1 GLN 109 HG3 0.25 0.12 -0.38 -0.04 2.39 2.33 2oasA1 GLN 109 HE21 0.09 -0.08 0.02 -0.04 6.97 6.95 2oasA1 GLN 109 HE22 0.10 0.48 -0.02 -0.04 7.69 8.20 2oasA1 LYS 110 H 0.06 0.12 0.04 -0.55 8.42 8.08 2oasA1 LYS 110 HA 0.01 0.15 0.48 -0.75 4.32 4.21 2oasA1 LYS 110 HB2 0.03 0.01 0.10 -0.04 1.87 1.96 2oasA1 LYS 110 HB3 0.01 -0.05 -0.08 -0.04 1.79 1.63 2oasA1 LYS 110 HG2 0.01 -0.03 -0.00 -0.04 1.46 1.39 2oasA1 LYS 110 HG3 0.00 0.02 0.03 -0.04 1.46 1.47 2oasA1 LYS 110 HD2 0.02 0.05 -0.06 -0.04 1.69 1.66 2oasA1 LYS 110 HD3 0.02 0.02 -0.02 -0.04 1.68 1.66 2oasA1 LYS 110 HE2 0.01 -0.06 0.01 -0.04 2.99 2.91 2oasA1 LYS 110 HE3 0.01 0.06 0.02 -0.04 2.99 3.03 2oasA1 ILE 111 H -0.05 0.33 0.09 -0.55 8.25 8.07 2oasA1 ILE 111 HA -0.03 0.15 0.80 -0.75 4.18 4.35 2oasA1 ILE 111 HB -0.20 0.07 -0.05 -0.04 1.89 1.67 2oasA1 ILE 111 HG12 -0.21 0.03 -0.24 -0.04 1.49 1.03 2oasA1 ILE 111 HG13 -0.35 0.11 -0.57 -0.04 1.21 0.35 2oasA1 ILE 111 HG23 -0.06 -0.03 -0.27 -0.04 0.93 0.53 2oasA1 ILE 111 HD13 -1.42 -0.03 -0.11 -0.04 0.88 -0.72 2oasA1 ASP 112 H 0.00 0.51 0.34 -0.55 8.40 8.71 2oasA1 ASP 112 HA -0.00 0.10 0.74 -0.75 4.63 4.72 2oasA1 ASP 112 HB2 0.01 0.03 0.21 -0.04 2.71 2.92 2oasA1 ASP 112 HB3 0.01 0.02 0.11 -0.04 2.70 2.80 2oasA1 THR 113 H 0.02 0.35 0.23 -0.55 8.28 8.33 2oasA1 THR 113 HA 0.01 0.38 0.76 -0.75 4.39 4.79 2oasA1 THR 113 HB 0.01 0.07 -0.00 -0.04 4.32 4.35 2oasA1 THR 113 HG23 0.02 0.02 -0.34 -0.04 1.22 0.87 2oasA1 ALA 114 H 0.03 0.51 0.32 -0.55 8.40 8.71 2oasA1 ALA 114 HA 0.16 0.17 1.08 -0.75 4.34 5.00 2oasA1 ALA 114 HB3 0.12 0.01 -0.09 -0.04 1.41 1.41 2oasA1 ILE 115 H 0.02 0.84 0.44 -0.55 8.25 9.00 2oasA1 ILE 115 HA -0.03 0.27 0.92 -0.75 4.18 4.59 2oasA1 ILE 115 HB -0.06 -0.12 0.25 -0.04 1.89 1.92 2oasA1 ILE 115 HG12 -0.03 0.14 0.06 -0.04 1.49 1.63 2oasA1 ILE 115 HG13 -0.04 -0.05 -0.04 -0.04 1.21 1.04 2oasA1 ILE 115 HG23 -0.02 -0.01 -0.03 -0.04 0.93 0.83 2oasA1 ILE 115 HD13 -0.01 -0.00 -0.18 -0.04 0.88 0.64 2oasA1 ILE 116 H -0.07 0.64 0.43 -0.55 8.25 8.70 2oasA1 ILE 116 HA 0.06 0.09 1.04 -0.75 4.18 4.61 2oasA1 ILE 116 HB -0.27 0.04 0.03 -0.04 1.89 1.64 2oasA1 ILE 116 HG12 -0.24 0.08 -0.15 -0.04 1.49 1.13 2oasA1 ILE 116 HG13 -0.24 -0.10 -0.28 -0.04 1.21 0.55 2oasA1 ILE 116 HG23 -0.10 0.00 -0.45 -0.04 0.93 0.34 2oasA1 ILE 116 HD13 -0.25 0.02 -0.22 -0.04 0.88 0.40 2oasA1 GLN 117 H 0.65 0.26 0.23 -0.55 8.47 9.06 2oasA1 GLN 117 HA 0.02 0.15 1.12 -0.75 4.36 4.90 2oasA1 GLN 117 HB2 0.12 -0.10 0.03 -0.04 2.15 2.16 2oasA1 GLN 117 HB3 0.01 0.06 0.22 -0.04 2.02 2.27 2oasA1 GLN 117 HG2 -0.11 0.06 -0.14 -0.04 2.40 2.17 2oasA1 GLN 117 HG3 -0.09 0.00 0.08 -0.04 2.39 2.33 2oasA1 GLN 117 HE21 -0.02 0.01 -0.14 -0.04 6.97 6.78 2oasA1 GLN 117 HE22 -0.03 0.36 -0.10 -0.04 7.69 7.88 2oasA1 VAL 118 H -0.10 0.49 0.26 -0.55 8.24 8.34 2oasA1 VAL 118 HA -0.00 0.37 1.17 -0.75 4.13 4.92 2oasA1 VAL 118 HB 0.06 -0.08 0.08 -0.04 2.12 2.13 2oasA1 VAL 118 HG13 0.07 -0.03 -0.40 -0.04 0.97 0.57 2oasA1 VAL 118 HG23 0.09 -0.01 -0.28 -0.04 0.95 0.71 2oasA1 SER 119 H -0.03 0.20 0.30 -0.55 8.46 8.39 2oasA1 SER 119 HA -0.06 0.24 0.55 -0.75 4.49 4.47 2oasA1 SER 119 HB2 -0.02 0.06 0.02 -0.04 3.95 3.97 2oasA1 SER 119 HB3 -0.05 0.04 -0.05 -0.04 3.93 3.82 2oasA1 PRO 120 HA -0.01 0.06 0.34 -0.51 4.44 4.32 2oasA1 PRO 120 HB2 -0.02 0.13 -0.04 -0.04 2.28 2.31 2oasA1 PRO 120 HB3 -0.03 -0.05 -0.00 -0.04 2.02 1.89 2oasA1 PRO 120 HG2 -0.01 0.03 -0.02 -0.04 2.03 1.99 2oasA1 PRO 120 HG3 -0.02 -0.00 0.02 -0.04 2.03 1.98 2oasA1 PRO 120 HD2 -0.03 0.08 0.14 -0.04 3.68 3.83 2oasA1 PRO 120 HD3 -0.05 0.05 -0.16 -0.04 3.65 3.45 2oasA1 PRO 121 HA -0.02 0.14 0.43 -0.51 4.44 4.48 2oasA1 PRO 121 HB2 -0.09 -0.00 0.02 -0.04 2.28 2.17 2oasA1 PRO 121 HB3 -0.09 0.09 0.01 -0.04 2.02 1.99 2oasA1 PRO 121 HG2 -0.03 0.01 0.03 -0.04 2.03 2.00 2oasA1 PRO 121 HG3 -0.03 0.03 0.02 -0.04 2.03 2.01 2oasA1 PRO 121 HD2 -0.01 0.02 0.15 -0.04 3.68 3.80 2oasA1 PRO 121 HD3 0.01 0.15 0.09 -0.04 3.65 3.86 2oasA1 ASP 122 H -0.02 0.08 0.18 -0.55 8.40 8.10 2oasA1 ASP 122 HA -0.03 0.26 0.72 -0.75 4.63 4.82 2oasA1 ASP 122 HB2 -0.05 -0.12 0.19 -0.04 2.71 2.69 2oasA1 ASP 122 HB3 0.01 0.15 0.07 -0.04 2.70 2.89 2oasA1 LYS 123 H -0.14 0.19 0.14 -0.55 8.42 8.05 2oasA1 LYS 123 HA -0.12 0.10 0.34 -0.75 4.32 3.89 2oasA1 LYS 123 HB2 -0.27 0.04 0.05 -0.04 1.87 1.66 2oasA1 LYS 123 HB3 -0.16 0.02 0.13 -0.04 1.79 1.74 2oasA1 LYS 123 HG2 -0.29 -0.08 0.13 -0.04 1.46 1.18 2oasA1 LYS 123 HG3 -1.15 0.03 -0.06 -0.04 1.46 0.25 2oasA1 LYS 123 HD2 -0.13 0.01 0.03 -0.04 1.69 1.56 2oasA1 LYS 123 HD3 -0.14 0.02 0.01 -0.04 1.68 1.53 2oasA1 LYS 123 HE2 -0.26 0.01 -0.04 -0.04 2.99 2.66 2oasA1 LYS 123 HE3 -0.15 0.00 -0.01 -0.04 2.99 2.79 2oasA1 HIS 124 H -0.20 -0.02 -0.51 -0.55 8.41 7.13 2oasA1 HIS 124 HA 0.01 0.19 0.67 -0.75 4.63 4.75 2oasA1 HIS 124 HB2 -0.02 -0.00 -0.06 -0.04 3.26 3.13 2oasA1 HIS 124 HB3 0.01 0.04 0.11 -0.04 3.20 3.32 2oasA1 HIS 124 HD2 -0.06 0.02 -0.03 -0.04 6.97 6.85 2oasA1 HIS 124 HE1 -0.02 0.01 -0.05 -0.04 7.75 7.65 2oasA1 GLY 125 H -0.05 0.86 -0.30 -0.55 8.43 8.39 2oasA1 GLY 125 HA2 -0.15 0.09 0.19 -0.51 4.01 3.63 2oasA1 GLY 125 HA3 -0.26 0.08 0.31 -0.51 4.01 3.64 2oasA1 CYS 127 HA 0.08 0.01 0.09 -0.75 4.58 4.00 2oasA1 CYS 127 HB2 0.17 0.03 -0.07 -0.04 2.97 3.06 2oasA1 CYS 127 HB3 0.12 -0.03 -0.02 -0.04 2.97 3.00 2oasA1 SER 128 H 0.02 0.06 0.20 -0.55 8.46 8.20 2oasA1 SER 128 HA -0.20 0.45 1.00 -0.75 4.49 4.99 2oasA1 SER 128 HB2 -0.30 0.10 -0.11 -0.04 3.95 3.59 2oasA1 SER 128 HB3 -0.12 -0.04 0.17 -0.04 3.93 3.90 2oasA1 LEU 129 H -0.11 0.62 0.29 -0.55 8.37 8.62 2oasA1 LEU 129 HA 0.15 0.11 0.57 -0.75 4.35 4.43 2oasA1 LEU 129 HB2 0.03 -0.09 0.07 -0.04 1.64 1.61 2oasA1 LEU 129 HB3 0.27 0.12 0.19 -0.04 1.64 2.18 2oasA1 LEU 129 HG 0.02 0.32 0.04 -0.04 1.64 1.99 2oasA1 LEU 129 HD13 0.04 -0.03 -0.02 -0.04 0.93 0.89 2oasA1 LEU 129 HD23 -0.08 -0.02 -0.10 -0.04 0.89 0.65 2oasA1 GLY 130 H -0.18 -0.07 -0.45 -0.55 8.43 7.18 2oasA1 GLY 130 HA2 -0.27 0.10 0.37 -0.51 4.01 3.69 2oasA1 GLY 130 HA3 -0.20 0.07 0.35 -0.51 4.01 3.72 2oasA1 ILE 131 H -0.27 0.20 0.14 -0.55 8.25 7.78 2oasA1 ILE 131 HA -0.53 0.07 0.35 -0.75 4.18 3.31 2oasA1 ILE 131 HB 0.01 -0.01 0.19 -0.04 1.89 2.03 2oasA1 ILE 131 HG12 -0.28 0.04 0.00 -0.04 1.49 1.21 2oasA1 ILE 131 HG13 -0.17 0.00 -0.19 -0.04 1.21 0.82 2oasA1 ILE 131 HG23 -0.27 0.00 -0.03 -0.04 0.93 0.59 2oasA1 ILE 131 HD13 -0.37 0.06 -0.08 -0.04 0.88 0.45 2oasA1 SER 132 H -0.12 0.44 -0.47 -0.55 8.46 7.76 2oasA1 SER 132 HA 0.24 0.10 1.05 -0.75 4.49 5.12 2oasA1 SER 132 HB2 -0.33 0.04 0.21 -0.04 3.95 3.82 2oasA1 SER 132 HB3 0.04 -0.16 0.04 -0.04 3.93 3.80 2oasA1 VAL 133 H 0.33 0.49 0.23 -0.55 8.24 8.74 2oasA1 VAL 133 HA 0.19 0.16 0.75 -0.75 4.13 4.47 2oasA1 VAL 133 HB 0.23 0.03 0.11 -0.04 2.12 2.46 2oasA1 VAL 133 HG13 0.12 0.02 -0.26 -0.04 0.97 0.81 2oasA1 VAL 133 HG23 0.16 0.04 -0.14 -0.04 0.95 0.96 2oasA1 GLU 134 H 0.33 0.45 0.25 -0.55 8.60 9.08 2oasA1 GLU 134 HA 0.26 -0.03 0.44 -0.75 4.29 4.20 2oasA1 GLU 134 HB2 0.21 -0.27 0.25 -0.04 2.09 2.24 2oasA1 GLU 134 HB3 0.20 0.06 0.11 -0.04 1.99 2.31 2oasA1 GLU 134 HG2 -0.06 0.09 -0.08 -0.04 2.34 2.25 2oasA1 GLU 134 HG3 0.23 -0.07 -0.92 -0.04 2.34 1.54 2oasA1 ALA 135 H 0.23 0.12 0.19 -0.55 8.40 8.40 2oasA1 ALA 135 HA 0.01 0.17 0.94 -0.75 4.34 4.71 2oasA1 ALA 135 HB3 -0.10 0.03 0.03 -0.04 1.41 1.32 2oasA1 THR 136 H 0.24 0.33 0.03 -0.55 8.28 8.33 2oasA1 THR 136 HA 0.01 0.06 0.39 -0.75 4.39 4.11 2oasA1 THR 136 HB 0.60 -0.10 0.05 -0.04 4.32 4.83 2oasA1 THR 136 HG23 0.20 0.07 0.05 -0.04 1.22 1.51 2oasA1 LEU 137 H 0.07 0.30 -0.17 -0.55 8.37 8.02 2oasA1 LEU 137 HA 0.03 0.13 0.31 -0.75 4.35 4.06 2oasA1 LEU 137 HB2 0.07 0.03 0.05 -0.04 1.64 1.75 2oasA1 LEU 137 HB3 0.05 -0.09 0.02 -0.04 1.64 1.58 2oasA1 LEU 137 HG 0.06 0.11 0.03 -0.04 1.64 1.80 2oasA1 LEU 137 HD13 0.04 -0.02 -0.20 -0.04 0.93 0.71 2oasA1 LEU 137 HD23 0.06 0.01 0.02 -0.04 0.89 0.93 2oasA1 ALA 138 H -0.00 0.05 -0.36 -0.55 8.40 7.54 2oasA1 ALA 138 HA 0.01 0.12 0.42 -0.75 4.34 4.14 2oasA1 ALA 138 HB3 0.02 0.04 0.12 -0.04 1.41 1.55 2oasA1 ALA 139 H -0.17 0.29 -0.25 -0.55 8.40 7.73 2oasA1 ALA 139 HA -0.55 0.05 0.39 -0.75 4.34 3.48 2oasA1 ALA 139 HB3 -0.89 0.01 0.03 -0.04 1.41 0.52 2oasA1 CYS 140 H -0.08 0.68 -0.13 -0.55 8.50 8.42 2oasA1 CYS 140 HA -0.01 -0.00 0.34 -0.75 4.58 4.15 2oasA1 CYS 140 HB2 0.02 0.12 0.05 -0.04 2.97 3.11 2oasA1 CYS 140 HB3 0.06 0.01 -0.03 -0.04 2.97 2.98 2oasA1 GLN 141 H -0.03 0.14 -0.68 -0.55 8.47 7.36 2oasA1 GLN 141 HA 0.01 0.06 0.45 -0.75 4.36 4.13 2oasA1 GLN 141 HB2 0.00 0.02 0.19 -0.04 2.15 2.32 2oasA1 GLN 141 HB3 0.01 0.00 -0.02 -0.04 2.02 1.96 2oasA1 GLN 141 HG2 0.02 -0.07 0.01 -0.04 2.40 2.31 2oasA1 GLN 141 HG3 0.02 0.01 0.05 -0.04 2.39 2.42 2oasA1 GLN 141 HE21 0.04 -0.03 -0.04 -0.04 6.97 6.91 2oasA1 GLN 141 HE22 0.03 0.02 -0.12 -0.04 7.69 7.58 2oasA1 VAL 142 H -0.06 0.24 -0.09 -0.55 8.24 7.79 2oasA1 VAL 142 HA -0.02 0.17 0.73 -0.75 4.13 4.27 2oasA1 VAL 142 HB -0.03 -0.03 0.09 -0.04 2.12 2.11 2oasA1 VAL 142 HG13 0.01 0.03 -0.17 -0.04 0.97 0.81 2oasA1 VAL 142 HG23 -0.14 0.02 -0.05 -0.04 0.95 0.74 2oasA1 ALA 143 H -0.07 0.29 -0.25 -0.55 8.40 7.83 2oasA1 ALA 143 HA -0.06 0.11 0.33 -0.75 4.34 3.96 2oasA1 ALA 143 HB3 -0.03 -0.01 -0.10 -0.04 1.41 1.23 2oasA1 GLY 144 H -0.01 0.31 0.29 -0.55 8.43 8.47 2oasA1 GLY 144 HA2 0.00 0.02 0.50 -0.51 4.01 4.02 2oasA1 GLY 144 HA3 0.00 -0.06 0.51 -0.51 4.01 3.96 2oasA1 LYS 145 H 0.01 0.35 0.14 -0.55 8.42 8.36 2oasA1 LYS 145 HA 0.04 0.21 0.66 -0.75 4.32 4.48 2oasA1 LYS 145 HB2 0.03 -0.08 0.10 -0.04 1.87 1.87 2oasA1 LYS 145 HB3 0.02 0.08 -0.08 -0.04 1.79 1.77 2oasA1 LYS 145 HG2 0.02 0.16 0.03 -0.04 1.46 1.63 2oasA1 LYS 145 HG3 0.02 -0.14 -0.18 -0.04 1.46 1.12 2oasA1 LYS 145 HD2 0.02 -0.04 -0.12 -0.04 1.69 1.51 2oasA1 LYS 145 HD3 0.02 0.03 -0.07 -0.04 1.68 1.62 2oasA1 LYS 145 HE2 0.01 -0.10 -0.23 -0.04 2.99 2.63 2oasA1 LYS 145 HE3 0.01 0.08 -0.32 -0.04 2.99 2.72 2oasA1 ILE 146 H 0.07 0.18 0.24 -0.55 8.25 8.19 2oasA1 ILE 146 HA -0.00 0.13 1.17 -0.75 4.18 4.72 2oasA1 ILE 146 HB 0.16 0.13 0.20 -0.04 1.89 2.33 2oasA1 ILE 146 HG12 0.03 -0.09 -0.05 -0.04 1.49 1.34 2oasA1 ILE 146 HG13 0.06 0.00 -0.41 -0.04 1.21 0.82 2oasA1 ILE 146 HG23 -0.21 -0.01 -0.20 -0.04 0.93 0.47 2oasA1 ILE 146 HD13 0.14 0.11 -0.02 -0.04 0.88 1.07 2oasA1 ILE 147 H -0.06 0.64 0.26 -0.55 8.25 8.55 2oasA1 ILE 147 HA -0.05 0.14 0.95 -0.75 4.18 4.47 2oasA1 ILE 147 HB -0.03 -0.02 0.10 -0.04 1.89 1.89 2oasA1 ILE 147 HG12 -0.01 0.03 -0.07 -0.04 1.49 1.40 2oasA1 ILE 147 HG13 -0.01 -0.07 -0.38 -0.04 1.21 0.71 2oasA1 ILE 147 HG23 -0.02 -0.03 -0.23 -0.04 0.93 0.61 2oasA1 ILE 147 HD13 -0.02 0.01 -0.13 -0.04 0.88 0.70 2oasA1 ALA 148 H -0.19 0.51 0.24 -0.55 8.40 8.41 2oasA1 ALA 148 HA -0.20 0.24 1.09 -0.75 4.34 4.71 2oasA1 ALA 148 HB3 -0.77 0.02 -0.08 -0.04 1.41 0.53 2oasA1 HIS 149 H 0.01 0.63 0.42 -0.55 8.41 8.93 2oasA1 HIS 149 HA 0.02 0.21 1.06 -0.75 4.63 5.16 2oasA1 HIS 149 HB2 0.05 -0.08 0.03 -0.04 3.26 3.22 2oasA1 HIS 149 HB3 -0.00 0.09 0.28 -0.04 3.20 3.53 2oasA1 HIS 149 HD2 -0.04 0.25 0.01 -0.04 6.97 7.14 2oasA1 HIS 149 HE1 -0.01 -0.06 -0.08 -0.04 7.75 7.56 2oasA1 ILE 150 H -0.05 0.49 0.20 -0.55 8.25 8.34 2oasA1 ILE 150 HA -0.18 0.26 0.68 -0.75 4.18 4.19 2oasA1 ILE 150 HB -0.09 -0.10 0.04 -0.04 1.89 1.70 2oasA1 ILE 150 HG12 0.03 0.10 -0.21 -0.04 1.49 1.37 2oasA1 ILE 150 HG13 0.01 -0.05 -0.19 -0.04 1.21 0.95 2oasA1 ILE 150 HG23 -0.07 0.00 -0.30 -0.04 0.93 0.53 2oasA1 ILE 150 HD13 0.04 -0.00 -0.12 -0.04 0.88 0.76 2oasA1 ASN 151 H -0.26 0.85 0.30 -0.55 8.53 8.87 2oasA1 ASN 151 HA -0.18 0.26 1.00 -0.75 4.76 5.09 2oasA1 ASN 151 HB2 -0.53 0.02 -0.07 -0.04 2.88 2.27 2oasA1 ASN 151 HB3 -0.23 0.09 0.12 -0.04 2.79 2.73 2oasA1 ASN 151 HD21 -0.00 0.26 -0.02 -0.04 7.03 7.23 2oasA1 ASN 151 HD22 -0.01 0.07 -0.07 -0.04 7.74 7.69 2oasA1 PRO 152 HA -0.04 0.11 0.42 -0.51 4.44 4.42 2oasA1 PRO 152 HB2 -0.02 -0.03 -0.01 -0.04 2.28 2.18 2oasA1 PRO 152 HB3 -0.02 0.06 0.09 -0.04 2.02 2.10 2oasA1 PRO 152 HG2 -0.04 0.00 -0.00 -0.04 2.03 1.95 2oasA1 PRO 152 HG3 -0.05 0.08 -0.01 -0.04 2.03 2.01 2oasA1 PRO 152 HD2 -0.05 -0.00 0.02 -0.04 3.68 3.60 2oasA1 PRO 152 HD3 -0.09 0.28 -0.09 -0.04 3.65 3.71 2oasA1 GLN 153 H -0.05 -0.01 -0.62 -0.55 8.47 7.24 2oasA1 GLN 153 HA -0.01 0.14 0.46 -0.75 4.36 4.19 2oasA1 GLN 153 HB2 -0.03 0.07 0.10 -0.04 2.15 2.25 2oasA1 GLN 153 HB3 -0.01 -0.05 0.11 -0.04 2.02 2.03 2oasA1 GLN 153 HG2 -0.01 -0.17 0.03 -0.04 2.40 2.21 2oasA1 GLN 153 HG3 0.01 0.15 -0.01 -0.04 2.39 2.51 2oasA1 GLN 153 HE21 0.01 0.03 -0.09 -0.04 6.97 6.87 2oasA1 GLN 153 HE22 0.00 -0.07 -0.10 -0.04 7.69 7.49 2oasA1 PRO 155 HA -0.02 -0.03 0.04 -0.51 4.44 3.91 2oasA1 PRO 155 HB2 -0.04 -0.09 -0.16 -0.04 2.28 1.95 2oasA1 PRO 155 HB3 0.01 0.18 0.12 -0.04 2.02 2.29 2oasA1 PRO 155 HG2 -0.18 -0.15 -0.00 -0.04 2.03 1.65 2oasA1 PRO 155 HG3 -0.06 -0.05 0.07 -0.04 2.03 1.94 2oasA1 PRO 155 HD2 -0.23 -0.12 -0.49 -0.04 3.68 2.81 2oasA1 PRO 155 HD3 -0.12 0.19 0.25 -0.04 3.65 3.93 2oasA1 ARG 156 H 0.01 0.18 0.00 -0.55 8.46 8.09 2oasA1 ARG 156 HA -0.06 0.08 0.61 -0.75 4.34 4.22 2oasA1 ARG 156 HB2 0.05 0.03 0.08 -0.04 1.90 2.01 2oasA1 ARG 156 HB3 0.09 -0.02 0.20 -0.04 1.80 2.03 2oasA1 ARG 156 HG2 0.26 0.03 -0.05 -0.04 1.67 1.87 2oasA1 ARG 156 HG3 0.21 0.03 -0.05 -0.04 1.67 1.82 2oasA1 ARG 156 HD2 0.10 0.01 -0.01 -0.04 3.22 3.28 2oasA1 ARG 156 HD3 0.14 -0.00 0.01 -0.04 3.22 3.32 2oasA1 THR 157 H -0.21 0.24 -0.02 -0.55 8.28 7.74 2oasA1 THR 157 HA 0.02 0.11 0.33 -0.75 4.39 4.09 2oasA1 THR 157 HB -0.41 0.08 -0.05 -0.04 4.32 3.89 2oasA1 THR 157 HG23 -0.75 0.04 -0.34 -0.04 1.22 0.12 2oasA1 HIS 158 H 0.32 0.27 0.21 -0.55 8.41 8.66 2oasA1 HIS 158 HA 0.27 0.13 0.73 -0.75 4.63 5.01 2oasA1 HIS 158 HB2 0.15 0.37 0.12 -0.04 3.26 3.86 2oasA1 HIS 158 HB3 0.18 -0.03 0.01 -0.04 3.20 3.31 2oasA1 HIS 158 HD2 0.14 0.01 -0.18 -0.04 6.97 6.89 2oasA1 HIS 158 HE1 0.07 -0.03 -0.06 -0.04 7.75 7.69 2oasA1 GLY 159 H 0.29 0.22 0.19 -0.55 8.43 8.58 2oasA1 GLY 159 HA2 0.19 0.04 0.30 -0.51 4.01 4.03 2oasA1 GLY 159 HA3 0.18 0.27 0.98 -0.51 4.01 4.93 2oasA1 ASP 160 H 0.12 0.52 0.25 -0.55 8.40 8.74 2oasA1 ASP 160 HA 0.15 0.21 0.87 -0.75 4.63 5.09 2oasA1 ASP 160 HB2 0.09 0.01 0.23 -0.04 2.71 3.00 2oasA1 ASP 160 HB3 0.09 -0.00 0.22 -0.04 2.70 2.97 2oasA1 GLY 161 H -0.06 0.16 -0.39 -0.55 8.43 7.59 2oasA1 GLY 161 HA2 -0.01 0.09 0.43 -0.51 4.01 4.01 2oasA1 GLY 161 HA3 -0.16 -0.06 0.27 -0.51 4.01 3.55 2oasA1 PHE 162 H 0.05 0.08 -0.47 -0.55 8.34 7.45 2oasA1 PHE 162 HA 0.03 0.38 0.81 -0.75 4.62 5.08 2oasA1 PHE 162 HB2 0.01 -0.03 0.05 -0.04 3.15 3.14 2oasA1 PHE 162 HB3 0.01 0.01 -0.07 -0.04 3.06 2.98 2oasA1 PHE 162 HD2 -0.01 0.18 -0.01 -0.04 7.28 7.39 2oasA1 PHE 162 HE2 -0.10 -0.11 -0.03 -0.04 7.38 7.10 2oasA1 PHE 162 HZ -0.20 0.00 -0.13 -0.04 7.32 6.95 2oasA1 ILE 163 H 0.19 0.75 0.27 -0.55 8.25 8.90 2oasA1 ILE 163 HA 0.11 0.03 0.59 -0.75 4.18 4.16 2oasA1 ILE 163 HB 0.13 0.07 -0.22 -0.04 1.89 1.83 2oasA1 ILE 163 HG12 0.32 -0.04 -0.16 -0.04 1.49 1.56 2oasA1 ILE 163 HG13 0.05 0.10 -0.34 -0.04 1.21 0.97 2oasA1 ILE 163 HG23 0.22 -0.00 -0.24 -0.04 0.93 0.86 2oasA1 ILE 163 HD13 0.09 -0.06 0.04 -0.04 0.88 0.91 2oasA1 HIS 164 H 0.08 0.11 0.10 -0.55 8.41 8.15 2oasA1 HIS 164 HA -0.10 0.36 0.69 -0.75 4.63 4.82 2oasA1 HIS 164 HB2 -0.05 0.02 0.07 -0.04 3.26 3.26 2oasA1 HIS 164 HB3 -0.10 -0.06 0.09 -0.04 3.20 3.08 2oasA1 HIS 164 HD2 -0.02 -0.00 0.06 -0.04 6.97 6.96 2oasA1 HIS 164 HE1 -0.05 -0.01 0.03 -0.04 7.75 7.67 2oasA1 ILE 165 H -0.74 0.60 0.34 -0.55 8.25 7.90 2oasA1 ILE 165 HA -1.48 0.08 0.31 -0.75 4.18 2.34 2oasA1 ILE 165 HB -0.30 0.07 0.10 -0.04 1.89 1.72 2oasA1 ILE 165 HG12 -0.08 -0.01 0.03 -0.04 1.49 1.39 2oasA1 ILE 165 HG13 0.03 -0.01 0.01 -0.04 1.21 1.20 2oasA1 ILE 165 HG23 -0.26 0.01 -0.06 -0.04 0.93 0.58 2oasA1 ILE 165 HD13 0.01 -0.01 -0.05 -0.04 0.88 0.78 2oasA1 ASP 166 H 0.27 0.09 -0.33 -0.55 8.40 7.88 2oasA1 ASP 166 HA -0.00 0.14 0.59 -0.75 4.63 4.60 2oasA1 ASP 166 HB2 0.12 -0.02 0.02 -0.04 2.71 2.78 2oasA1 ASP 166 HB3 0.02 0.05 0.10 -0.04 2.70 2.82 2oasA1 ARG 167 H -0.24 0.44 -0.40 -0.55 8.46 7.71 2oasA1 ARG 167 HA 0.04 0.13 0.59 -0.75 4.34 4.35 2oasA1 ARG 167 HB2 -0.04 0.16 0.04 -0.04 1.90 2.02 2oasA1 ARG 167 HB3 0.12 0.03 0.11 -0.04 1.80 2.01 2oasA1 ARG 167 HG2 0.01 -0.07 -0.09 -0.04 1.67 1.47 2oasA1 ARG 167 HG3 0.02 -0.11 0.05 -0.04 1.67 1.59 2oasA1 ARG 167 HD2 0.04 0.07 0.03 -0.04 3.22 3.33 2oasA1 ARG 167 HD3 0.02 -0.06 0.00 -0.04 3.22 3.15 2oasA1 PHE 168 H 0.01 0.26 -0.55 -0.55 8.34 7.51 2oasA1 PHE 168 HA 0.02 0.09 0.84 -0.75 4.62 4.82 2oasA1 PHE 168 HB2 0.02 0.11 0.05 -0.04 3.15 3.29 2oasA1 PHE 168 HB3 0.02 0.06 0.03 -0.04 3.06 3.13 2oasA1 PHE 168 HD2 0.01 0.04 -0.41 -0.04 7.28 6.88 2oasA1 PHE 168 HE2 0.00 -0.00 -0.22 -0.04 7.38 7.12 2oasA1 PHE 168 HZ 0.00 0.02 -0.28 -0.04 7.32 7.02 2oasA1 ALA 169 H 0.12 0.57 0.44 -0.55 8.40 8.99 2oasA1 ALA 169 HA 0.08 0.18 0.69 -0.75 4.34 4.54 2oasA1 ALA 169 HB3 0.05 -0.00 0.13 -0.04 1.41 1.54 2oasA1 ALA 170 H 0.08 0.35 0.33 -0.55 8.40 8.61 2oasA1 ALA 170 HA 0.06 0.16 0.92 -0.75 4.34 4.73 2oasA1 ALA 170 HB3 0.02 -0.01 0.05 -0.04 1.41 1.43 2oasA1 VAL 171 H 0.08 0.52 0.35 -0.55 8.24 8.64 2oasA1 VAL 171 HA 0.07 0.28 0.87 -0.75 4.13 4.59 2oasA1 VAL 171 HB 0.11 0.01 -0.15 -0.04 2.12 2.06 2oasA1 VAL 171 HG13 0.07 -0.02 -0.24 -0.04 0.97 0.73 2oasA1 VAL 171 HG23 0.25 0.03 -0.18 -0.04 0.95 1.01 2oasA1 TYR 172 H 0.15 0.54 0.33 -0.55 8.29 8.76 2oasA1 TYR 172 HA 0.03 0.29 0.87 -0.75 4.56 5.00 2oasA1 TYR 172 HB2 0.00 -0.02 -0.18 -0.04 3.06 2.83 2oasA1 TYR 172 HB3 0.03 -0.01 0.04 -0.04 2.98 3.00 2oasA1 TYR 172 HD2 -0.02 0.08 -0.29 -0.04 7.15 6.88 2oasA1 TYR 172 HE2 -0.04 0.11 -0.22 -0.04 6.85 6.66 2oasA1 GLU 173 H -0.36 0.27 0.10 -0.55 8.60 8.07 2oasA1 GLU 173 HA -0.22 0.31 1.27 -0.75 4.29 4.90 2oasA1 GLU 173 HB2 -0.09 -0.02 -0.07 -0.04 2.09 1.86 2oasA1 GLU 173 HB3 -0.13 -0.00 0.11 -0.04 1.99 1.92 2oasA1 GLU 173 HG2 -0.12 -0.05 -0.34 -0.04 2.34 1.79 2oasA1 GLU 173 HG3 -0.11 0.11 -0.06 -0.04 2.34 2.24 2oasA1 GLN 174 H -0.10 0.68 0.28 -0.55 8.47 8.79 2oasA1 GLN 174 HA -0.10 0.03 0.47 -0.75 4.36 4.01 2oasA1 GLN 174 HB2 -0.03 0.01 0.14 -0.04 2.15 2.23 2oasA1 GLN 174 HB3 -0.41 0.02 -0.38 -0.04 2.02 1.21 2oasA1 GLN 174 HG2 0.08 -0.08 -0.18 -0.04 2.40 2.19 2oasA1 GLN 174 HG3 0.09 0.04 -0.59 -0.04 2.39 1.89 2oasA1 GLN 174 HE21 0.05 -0.05 -0.03 -0.04 6.97 6.90 2oasA1 GLN 174 HE22 0.05 0.20 -0.17 -0.04 7.69 7.73 2oasA1 SER 175 H -0.01 0.14 0.16 -0.55 8.46 8.20 2oasA1 SER 175 HA 0.00 0.01 0.73 -0.75 4.49 4.47 2oasA1 SER 175 HB2 0.00 -0.01 0.16 -0.04 3.95 4.06 2oasA1 SER 175 HB3 0.01 0.03 -0.01 -0.04 3.93 3.92 2oasA1 ALA 176 H 0.05 0.21 0.24 -0.55 8.40 8.34 2oasA1 ALA 176 HA 0.04 0.14 0.78 -0.75 4.34 4.55 2oasA1 ALA 176 HB3 0.09 0.01 -0.05 -0.04 1.41 1.42 2oasA1 SER 177 H 0.03 0.10 0.12 -0.55 8.46 8.17 2oasA1 SER 177 HA 0.03 0.11 0.62 -0.75 4.49 4.49 2oasA1 SER 177 HB2 0.04 0.04 0.01 -0.04 3.95 4.01 2oasA1 SER 177 HB3 0.03 0.00 0.07 -0.04 3.93 3.99 2oasA1 LEU 178 H 0.04 0.13 0.18 -0.55 8.37 8.17 2oasA1 LEU 178 HA -0.02 0.25 0.76 -0.75 4.35 4.59 2oasA1 LEU 178 HB2 -0.03 -0.10 0.07 -0.04 1.64 1.54 2oasA1 LEU 178 HB3 -0.23 0.12 -0.01 -0.04 1.64 1.47 2oasA1 LEU 178 HG -0.10 -0.06 -0.05 -0.04 1.64 1.39 2oasA1 LEU 178 HD13 -0.45 0.01 -0.10 -0.04 0.93 0.35 2oasA1 LEU 178 HD23 -0.15 0.05 -0.05 -0.04 0.89 0.71 2oasA1 PRO 179 HA 0.12 -0.07 0.45 -0.51 4.44 4.43 2oasA1 PRO 179 HB2 0.18 -0.07 0.05 -0.04 2.28 2.40 2oasA1 PRO 179 HB3 0.11 -0.01 0.07 -0.04 2.02 2.14 2oasA1 PRO 179 HG2 0.07 0.05 0.20 -0.04 2.03 2.31 2oasA1 PRO 179 HG3 0.03 0.01 0.07 -0.04 2.03 2.10 2oasA1 PRO 179 HD2 -0.03 0.35 0.28 -0.04 3.68 4.24 2oasA1 PRO 179 HD3 0.02 0.13 0.17 -0.04 3.65 3.93 2oasA1 ILE 180 H 0.12 0.09 0.25 -0.55 8.25 8.15 2oasA1 ILE 180 HA 0.18 0.38 0.52 -0.75 4.18 4.51 2oasA1 ILE 180 HB -0.00 -0.09 -0.05 -0.04 1.89 1.71 2oasA1 ILE 180 HG12 0.03 -0.01 0.12 -0.04 1.49 1.59 2oasA1 ILE 180 HG13 -0.02 -0.10 -0.20 -0.04 1.21 0.85 2oasA1 ILE 180 HG23 0.07 0.03 0.10 -0.04 0.93 1.08 2oasA1 ILE 180 HD13 -0.04 0.01 -0.03 -0.04 0.88 0.78 2oasA1 HIS 181 H 0.19 -0.02 -0.19 -0.55 8.41 7.85 2oasA1 HIS 181 HA 0.34 -0.08 0.35 -0.75 4.63 4.48 2oasA1 HIS 181 HB2 0.22 0.05 -0.12 -0.04 3.26 3.37 2oasA1 HIS 181 HB3 0.14 0.19 -0.15 -0.04 3.20 3.33 2oasA1 HIS 181 HD2 0.10 0.03 -0.06 -0.04 6.97 7.00 2oasA1 HIS 181 HE1 -0.08 0.04 -0.04 -0.04 7.75 7.62 2oasA1 SER 182 H -0.41 0.13 0.00 -0.55 8.46 7.63 2oasA1 SER 182 HA -0.11 0.17 0.76 -0.75 4.49 4.56 2oasA1 SER 182 HB2 -0.10 0.01 -0.20 -0.04 3.95 3.62 2oasA1 SER 182 HB3 -0.19 0.02 0.03 -0.04 3.93 3.76 2oasA1 PHE 183 H -0.21 0.07 -0.05 -0.55 8.34 7.60 2oasA1 PHE 183 HA -0.10 0.13 0.43 -0.75 4.62 4.33 2oasA1 PHE 183 HB2 -0.22 -0.02 0.01 -0.04 3.15 2.88 2oasA1 PHE 183 HB3 -0.05 0.06 0.08 -0.04 3.06 3.11 2oasA1 PHE 183 HD2 -0.42 0.01 0.04 -0.04 7.28 6.88 2oasA1 PHE 183 HE2 0.09 0.01 0.04 -0.04 7.38 7.48 2oasA1 PHE 183 HZ 0.06 0.01 0.03 -0.04 7.32 7.38 2oasA1 ALA 184 H -0.04 -0.06 -0.44 -0.55 8.40 7.32 2oasA1 ALA 184 HA 0.05 0.02 0.35 -0.75 4.34 4.01 2oasA1 ALA 184 HB3 0.03 -0.02 -0.08 -0.04 1.41 1.30 2oasA1 THR 185 H 0.02 0.05 0.08 -0.55 8.28 7.88 2oasA1 THR 185 HA -0.00 0.03 0.45 -0.75 4.39 4.11 2oasA1 THR 185 HB 0.00 0.25 0.07 -0.04 4.32 4.60 2oasA1 THR 185 HG23 0.02 -0.02 -0.09 -0.04 1.22 1.10 2oasA1 GLY 186 H -0.00 0.14 0.11 -0.55 8.43 8.13 2oasA1 GLY 186 HA2 -0.00 -0.01 0.39 -0.51 4.01 3.88 2oasA1 GLY 186 HA3 -0.00 0.09 0.33 -0.51 4.01 3.91 2oasA1 ASP 187 H -0.00 0.22 0.24 -0.55 8.40 8.31 2oasA1 ASP 187 HA 0.00 0.20 0.62 -0.75 4.63 4.70 2oasA1 ASP 187 HB2 0.01 0.30 -0.15 -0.04 2.71 2.82 2oasA1 ASP 187 HB3 0.00 -0.21 0.03 -0.04 2.70 2.48 2oasA1 ALA 188 H -0.00 0.23 0.18 -0.55 8.40 8.26 2oasA1 ALA 188 HA -0.02 0.16 0.49 -0.75 4.34 4.22 2oasA1 ALA 188 HB3 -0.01 0.04 0.12 -0.04 1.41 1.53 2oasA1 VAL 189 H -0.01 0.07 -0.01 -0.55 8.24 7.75 2oasA1 VAL 189 HA -0.05 0.18 0.52 -0.75 4.13 4.03 2oasA1 VAL 189 HB 0.00 -0.03 0.10 -0.04 2.12 2.15 2oasA1 VAL 189 HG13 -0.01 0.01 -0.01 -0.04 0.97 0.91 2oasA1 VAL 189 HG23 0.01 0.02 0.08 -0.04 0.95 1.02 2oasA1 SER 190 H -0.01 0.02 -0.21 -0.55 8.46 7.72 2oasA1 SER 190 HA -0.00 0.06 0.28 -0.75 4.49 4.07 2oasA1 SER 190 HB2 -0.01 0.02 0.06 -0.04 3.95 3.98 2oasA1 SER 190 HB3 -0.00 0.10 -0.29 -0.04 3.93 3.69 2oasA1 LEU 191 H -0.02 0.40 -0.23 -0.55 8.37 7.96 2oasA1 LEU 191 HA -0.04 0.05 0.38 -0.75 4.35 3.99 2oasA1 LEU 191 HB2 -0.03 0.09 0.20 -0.04 1.64 1.85 2oasA1 LEU 191 HB3 -0.05 0.08 -0.04 -0.04 1.64 1.59 2oasA1 LEU 191 HG -0.03 0.01 0.01 -0.04 1.64 1.59 2oasA1 LEU 191 HD13 -0.04 0.02 0.01 -0.04 0.93 0.89 2oasA1 LEU 191 HD23 -0.02 -0.02 0.03 -0.04 0.89 0.84 2oasA1 ALA 192 H -0.06 0.32 -0.21 -0.55 8.40 7.90 2oasA1 ALA 192 HA -0.16 0.06 0.42 -0.75 4.34 3.91 2oasA1 ALA 192 HB3 -0.08 0.06 0.24 -0.04 1.41 1.58 2oasA1 ILE 193 H -0.02 0.53 -0.08 -0.55 8.25 8.13 2oasA1 ILE 193 HA 0.13 0.10 0.21 -0.75 4.18 3.86 2oasA1 ILE 193 HB 0.00 0.02 -0.01 -0.04 1.89 1.86 2oasA1 ILE 193 HG12 0.04 -0.07 -0.37 -0.04 1.49 1.05 2oasA1 ILE 193 HG13 0.00 0.11 -0.02 -0.04 1.21 1.26 2oasA1 ILE 193 HG23 0.02 0.00 -0.28 -0.04 0.93 0.63 2oasA1 ILE 193 HD13 0.01 -0.06 -0.27 -0.04 0.88 0.52 2oasA1 GLY 194 H -0.03 0.58 -0.29 -0.55 8.43 8.14 2oasA1 GLY 194 HA2 -0.03 -0.03 0.24 -0.51 4.01 3.69 2oasA1 GLY 194 HA3 -0.04 0.01 0.03 -0.51 4.01 3.51 2oasA1 GLN 195 H -0.11 0.52 -0.22 -0.55 8.47 8.11 2oasA1 GLN 195 HA -0.07 0.05 0.39 -0.75 4.36 3.98 2oasA1 GLN 195 HB2 -0.32 0.10 0.14 -0.04 2.15 2.03 2oasA1 GLN 195 HB3 -0.15 -0.04 0.02 -0.04 2.02 1.81 2oasA1 GLN 195 HG2 -0.08 -0.05 0.01 -0.04 2.40 2.25 2oasA1 GLN 195 HG3 -0.11 0.49 0.12 -0.04 2.39 2.86 2oasA1 GLN 195 HE21 -0.06 -0.05 -0.03 -0.04 6.97 6.79 2oasA1 GLN 195 HE22 -0.06 0.01 -0.03 -0.04 7.69 7.58 2oasA1 HIS 196 H -0.19 0.44 -0.11 -0.55 8.41 8.00 2oasA1 HIS 196 HA -0.03 0.03 0.36 -0.75 4.63 4.24 2oasA1 HIS 196 HB2 -0.04 0.05 0.08 -0.04 3.26 3.32 2oasA1 HIS 196 HB3 -0.04 -0.05 -0.10 -0.04 3.20 2.97 2oasA1 HIS 196 HD2 -0.05 -0.03 -0.16 -0.04 6.97 6.69 2oasA1 HIS 196 HE1 -0.00 -0.00 -0.08 -0.04 7.75 7.62 2oasA1 VAL 197 H 0.03 0.56 -0.17 -0.55 8.24 8.11 2oasA1 VAL 197 HA -0.08 0.01 0.27 -0.75 4.13 3.58 2oasA1 VAL 197 HB -0.04 0.07 0.01 -0.04 2.12 2.12 2oasA1 VAL 197 HG13 -0.07 -0.01 -0.17 -0.04 0.97 0.69 2oasA1 VAL 197 HG23 -0.01 0.07 -0.07 -0.04 0.95 0.89 2oasA1 ALA 198 H -0.03 0.51 -0.25 -0.55 8.40 8.08 2oasA1 ALA 198 HA -0.07 -0.03 0.32 -0.75 4.34 3.81 2oasA1 ALA 198 HB3 -0.01 0.07 0.11 -0.04 1.41 1.53 2oasA1 GLU 199 H -0.01 0.37 -0.42 -0.55 8.60 8.00 2oasA1 GLU 199 HA 0.03 0.06 0.47 -0.75 4.29 4.09 2oasA1 GLU 199 HB2 0.01 0.17 0.12 -0.04 2.09 2.35 2oasA1 GLU 199 HB3 0.00 -0.07 0.02 -0.04 1.99 1.91 2oasA1 GLU 199 HG2 0.01 -0.03 0.04 -0.04 2.34 2.31 2oasA1 GLU 199 HG3 0.00 0.07 0.02 -0.04 2.34 2.39 2oasA1 LEU 200 H -0.08 0.51 -0.30 -0.55 8.37 7.95 2oasA1 LEU 200 HA -0.10 0.05 0.57 -0.75 4.35 4.13 2oasA1 LEU 200 HB2 -0.21 0.15 0.06 -0.04 1.64 1.61 2oasA1 LEU 200 HB3 -0.27 -0.02 -0.03 -0.04 1.64 1.28 2oasA1 LEU 200 HG -0.87 -0.08 -0.07 -0.04 1.64 0.57 2oasA1 LEU 200 HD13 -0.43 -0.00 -0.06 -0.04 0.93 0.39 2oasA1 LEU 200 HD23 -0.21 -0.06 -0.10 -0.04 0.89 0.48 2oasA1 VAL 201 H -0.03 0.27 -0.29 -0.55 8.24 7.64 2oasA1 VAL 201 HA -0.03 0.06 0.53 -0.75 4.13 3.93 2oasA1 VAL 201 HB -0.20 0.11 0.12 -0.04 2.12 2.12 2oasA1 VAL 201 HG13 -0.20 -0.02 -0.17 -0.04 0.97 0.53 2oasA1 VAL 201 HG23 -0.11 0.02 -0.11 -0.04 0.95 0.70 2oasA1 ARG 202 H 0.03 0.18 0.19 -0.55 8.46 8.31 2oasA1 ARG 202 HA 0.11 0.12 0.78 -0.75 4.34 4.60 2oasA1 ARG 202 HB2 0.04 0.06 0.08 -0.04 1.90 2.04 2oasA1 ARG 202 HB3 0.04 -0.04 0.11 -0.04 1.80 1.87 2oasA1 ARG 202 HG2 0.04 -0.00 -0.09 -0.04 1.67 1.57 2oasA1 ARG 202 HG3 0.04 0.14 -0.02 -0.04 1.67 1.79 2oasA1 ARG 202 HD2 0.03 -0.06 0.03 -0.04 3.22 3.17 2oasA1 ARG 202 HD3 0.03 -0.04 0.00 -0.04 3.22 3.17 2oasA1 ASP 203 H 0.06 0.07 0.17 -0.55 8.40 8.16 2oasA1 ASP 203 HA 0.13 -0.02 0.52 -0.75 4.63 4.51 2oasA1 ASP 203 HB2 0.02 -0.03 0.14 -0.04 2.71 2.80 2oasA1 ASP 203 HB3 0.03 0.11 0.11 -0.04 2.70 2.90 2oasA1 GLY 204 H 0.05 0.36 0.14 -0.55 8.43 8.43 2oasA1 GLY 204 HA2 0.02 0.32 0.37 -0.51 4.01 4.21 2oasA1 GLY 204 HA3 0.03 0.01 0.42 -0.51 4.01 3.95 2oasA1 ASP 205 H 0.03 0.17 -0.33 -0.55 8.40 7.72 2oasA1 ASP 205 HA 0.02 0.27 0.56 -0.75 4.63 4.73 2oasA1 ASP 205 HB2 -0.01 -0.04 0.12 -0.04 2.71 2.74 2oasA1 ASP 205 HB3 -0.01 -0.06 -0.05 -0.04 2.70 2.54 2oasA1 CYS 206 H 0.02 0.63 0.11 -0.55 8.50 8.71 2oasA1 CYS 206 HA 0.02 -0.12 0.68 -0.75 4.58 4.41 2oasA1 CYS 206 HB2 0.04 0.13 -0.08 -0.04 2.97 3.01 2oasA1 CYS 206 HB3 0.04 0.02 0.03 -0.04 2.97 3.01 2oasA1 LEU 207 H -0.02 0.48 0.13 -0.55 8.37 8.41 2oasA1 LEU 207 HA -0.03 0.14 0.38 -0.75 4.35 4.08 2oasA1 LEU 207 HB2 -0.06 -0.02 0.11 -0.04 1.64 1.63 2oasA1 LEU 207 HB3 -0.07 -0.10 0.03 -0.04 1.64 1.46 2oasA1 LEU 207 HG -0.05 0.13 0.03 -0.04 1.64 1.70 2oasA1 LEU 207 HD13 -0.08 -0.03 -0.06 -0.04 0.93 0.72 2oasA1 LEU 207 HD23 -0.08 0.01 -0.10 -0.04 0.89 0.68 2oasA1 GLN 208 H -0.08 0.28 0.18 -0.55 8.47 8.30 2oasA1 GLN 208 HA -0.20 0.07 0.49 -0.75 4.36 3.96 2oasA1 GLN 208 HB2 -0.17 0.36 0.01 -0.04 2.15 2.30 2oasA1 GLN 208 HB3 -0.20 0.01 0.18 -0.04 2.02 1.97 2oasA1 GLN 208 HG2 -0.87 -0.24 0.31 -0.04 2.40 1.57 2oasA1 GLN 208 HG3 -2.12 0.07 0.16 -0.04 2.39 0.46 2oasA1 GLN 208 HE21 -0.26 0.04 -0.20 -0.04 6.97 6.52 2oasA1 GLN 208 HE22 -0.45 -0.16 0.10 -0.04 7.69 7.15 2oasA1 GLY 210 HA2 -0.03 -0.07 0.19 -0.51 4.01 3.59 2oasA1 GLY 210 HA3 0.00 -0.04 0.25 -0.51 4.01 3.71 2oasA1 ILE 211 H 0.03 0.09 0.11 -0.55 8.25 7.92 2oasA1 ILE 211 HA 0.05 0.14 0.82 -0.75 4.18 4.44 2oasA1 ILE 211 HB 0.16 -0.06 -0.03 -0.04 1.89 1.92 2oasA1 ILE 211 HG12 -0.00 -0.01 0.06 -0.04 1.49 1.50 2oasA1 ILE 211 HG13 0.05 -0.01 0.04 -0.04 1.21 1.25 2oasA1 ILE 211 HG23 0.04 0.00 -0.08 -0.04 0.93 0.86 2oasA1 ILE 211 HD13 -0.15 0.01 -0.05 -0.04 0.88 0.64 2oasA1 GLY 212 H 0.07 0.16 0.17 -0.55 8.43 8.29 2oasA1 GLY 212 HA2 0.08 -0.01 0.31 -0.51 4.01 3.88 2oasA1 GLY 212 HA3 0.06 0.25 0.81 -0.51 4.01 4.62 2oasA1 ALA 213 H 0.04 0.20 0.15 -0.55 8.40 8.25 2oasA1 ALA 213 HA 0.02 0.06 0.37 -0.75 4.34 4.03 2oasA1 ALA 213 HB3 0.02 0.00 0.08 -0.04 1.41 1.47 2oasA1 ILE 214 H 0.02 0.09 -0.11 -0.55 8.25 7.71 2oasA1 ILE 214 HA 0.00 0.06 0.33 -0.75 4.18 3.81 2oasA1 ILE 214 HB 0.02 0.08 -0.03 -0.04 1.89 1.92 2oasA1 ILE 214 HG12 0.01 -0.04 -0.06 -0.04 1.49 1.36 2oasA1 ILE 214 HG13 0.02 -0.16 0.02 -0.04 1.21 1.05 2oasA1 ILE 214 HG23 0.00 0.04 -0.29 -0.04 0.93 0.65 2oasA1 ILE 214 HD13 0.02 0.03 -0.13 -0.04 0.88 0.76 2oasA1 PRO 215 HA -0.01 0.14 0.28 -0.51 4.44 4.34 2oasA1 PRO 215 HB2 0.01 -0.11 -0.03 -0.04 2.28 2.12 2oasA1 PRO 215 HB3 -0.00 0.23 0.01 -0.04 2.02 2.21 2oasA1 PRO 215 HG2 0.02 0.01 -0.63 -0.04 2.03 1.39 2oasA1 PRO 215 HG3 0.00 0.14 -0.16 -0.04 2.03 1.98 2oasA1 PRO 215 HD2 0.03 -0.14 -0.60 -0.04 3.68 2.93 2oasA1 PRO 215 HD3 0.02 0.07 -0.12 -0.04 3.65 3.58 2oasA1 ASP 216 H 0.01 0.38 -0.33 -0.55 8.40 7.91 2oasA1 ASP 216 HA -0.00 -0.01 0.38 -0.75 4.63 4.24 2oasA1 ASP 216 HB2 0.00 0.06 0.12 -0.04 2.71 2.85 2oasA1 ASP 216 HB3 -0.00 -0.01 -0.03 -0.04 2.70 2.61 2oasA1 ALA 217 H -0.01 0.60 -0.10 -0.55 8.40 8.35 2oasA1 ALA 217 HA -0.02 -0.02 0.36 -0.75 4.34 3.91 2oasA1 ALA 217 HB3 -0.02 -0.00 -0.02 -0.04 1.41 1.33 2oasA1 VAL 218 H -0.02 0.48 -0.32 -0.55 8.24 7.83 2oasA1 VAL 218 HA -0.04 0.13 0.42 -0.75 4.13 3.89 2oasA1 VAL 218 HB -0.04 0.13 0.10 -0.04 2.12 2.27 2oasA1 VAL 218 HG13 -0.06 0.01 -0.20 -0.04 0.97 0.67 2oasA1 VAL 218 HG23 -0.03 0.08 -0.09 -0.04 0.95 0.87 2oasA1 LEU 219 H -0.03 0.54 -0.04 -0.55 8.37 8.29 2oasA1 LEU 219 HA -0.05 0.06 0.37 -0.75 4.35 3.98 2oasA1 LEU 219 HB2 -0.02 0.02 0.14 -0.04 1.64 1.74 2oasA1 LEU 219 HB3 -0.03 0.02 -0.04 -0.04 1.64 1.55 2oasA1 LEU 219 HG -0.03 0.19 0.00 -0.04 1.64 1.76 2oasA1 LEU 219 HD13 -0.00 -0.09 -0.22 -0.04 0.93 0.58 2oasA1 LEU 219 HD23 -0.05 0.01 -0.11 -0.04 0.89 0.70 2oasA1 SER 220 H -0.02 0.55 -0.24 -0.55 8.46 8.20 2oasA1 SER 220 HA -0.02 0.02 0.44 -0.75 4.49 4.18 2oasA1 SER 220 HB2 -0.02 -0.05 0.07 -0.04 3.95 3.91 2oasA1 SER 220 HB3 -0.02 -0.09 0.07 -0.04 3.93 3.85 2oasA1 CYS 221 H -0.03 0.43 -0.56 -0.55 8.50 7.79 2oasA1 CYS 221 HA 0.00 0.09 0.76 -0.75 4.58 4.68 2oasA1 CYS 221 HB2 -0.03 0.17 0.07 -0.04 2.97 3.14 2oasA1 CYS 221 HB3 -0.00 -0.04 0.15 -0.04 2.97 3.03 2oasA1 LEU 222 H -0.02 0.42 -0.35 -0.55 8.37 7.86 2oasA1 LEU 222 HA 0.06 0.22 0.89 -0.75 4.35 4.77 2oasA1 LEU 222 HB2 -0.09 0.10 0.12 -0.04 1.64 1.73 2oasA1 LEU 222 HB3 -0.11 -0.07 0.08 -0.04 1.64 1.51 2oasA1 LEU 222 HG -0.66 0.01 0.01 -0.04 1.64 0.96 2oasA1 LEU 222 HD13 -0.19 0.12 -0.18 -0.04 0.93 0.64 2oasA1 LEU 222 HD23 -0.16 -0.03 -0.10 -0.04 0.89 0.57 2oasA1 THR 223 H 0.02 0.22 -0.26 -0.55 8.28 7.71 2oasA1 THR 223 HA 0.02 0.06 0.35 -0.75 4.39 4.05 2oasA1 THR 223 HB 0.00 -0.01 0.14 -0.04 4.32 4.42 2oasA1 THR 223 HG23 -0.01 -0.00 0.04 -0.04 1.22 1.21 2oasA1 GLY 224 H 0.13 -0.01 -0.93 -0.55 8.43 7.08 2oasA1 GLY 224 HA2 0.00 0.16 0.83 -0.51 4.01 4.49 2oasA1 GLY 224 HA3 -0.01 -0.04 0.21 -0.51 4.01 3.66 2oasA1 HIS 225 H 0.28 0.33 -0.02 -0.55 8.41 8.46 2oasA1 HIS 225 HA -0.01 0.07 0.54 -0.75 4.63 4.48 2oasA1 HIS 225 HB2 -0.02 0.09 0.10 -0.04 3.26 3.39 2oasA1 HIS 225 HB3 -0.01 -0.13 0.14 -0.04 3.20 3.16 2oasA1 HIS 225 HD2 -0.01 -0.09 -0.42 -0.04 6.97 6.40 2oasA1 HIS 225 HE1 -0.02 0.07 0.06 -0.04 7.75 7.81 2oasA1 LYS 226 H 0.10 0.16 0.25 -0.55 8.42 8.38 2oasA1 LYS 226 HA 0.03 0.20 0.66 -0.75 4.32 4.46 2oasA1 LYS 226 HB2 0.01 -0.04 0.03 -0.04 1.87 1.84 2oasA1 LYS 226 HB3 0.01 0.17 0.03 -0.04 1.79 1.97 2oasA1 LYS 226 HG2 -0.00 0.02 -0.26 -0.04 1.46 1.17 2oasA1 LYS 226 HG3 0.01 -0.07 -0.01 -0.04 1.46 1.35 2oasA1 LYS 226 HD2 -0.01 -0.02 -0.04 -0.04 1.69 1.57 2oasA1 LYS 226 HD3 -0.00 -0.04 -0.05 -0.04 1.68 1.55 2oasA1 LYS 226 HE2 -0.01 -0.06 -0.03 -0.04 2.99 2.85 2oasA1 LYS 226 HE3 -0.00 0.02 -0.04 -0.04 2.99 2.94 2oasA1 ASP 227 H 0.01 0.30 0.18 -0.55 8.40 8.35 2oasA1 ASP 227 HA 0.01 -0.02 0.34 -0.75 4.63 4.20 2oasA1 ASP 227 HB2 0.02 0.14 0.13 -0.04 2.71 2.96 2oasA1 ASP 227 HB3 0.02 -0.05 0.21 -0.04 2.70 2.83 2oasA1 LEU 228 H 0.01 0.58 0.02 -0.55 8.37 8.44 2oasA1 LEU 228 HA 0.01 0.22 0.57 -0.75 4.35 4.40 2oasA1 LEU 228 HB2 -0.01 0.13 0.00 -0.04 1.64 1.72 2oasA1 LEU 228 HB3 -0.03 0.01 -0.06 -0.04 1.64 1.52 2oasA1 LEU 228 HG -0.04 0.11 0.04 -0.04 1.64 1.70 2oasA1 LEU 228 HD13 0.05 -0.00 -0.03 -0.04 0.93 0.90 2oasA1 LEU 228 HD23 -0.09 -0.01 -0.09 -0.04 0.89 0.66 2oasA1 GLY 229 H 0.00 0.84 0.31 -0.55 8.43 9.04 2oasA1 GLY 229 HA2 0.00 -0.04 0.92 -0.51 4.01 4.38 2oasA1 GLY 229 HA3 0.02 0.10 0.29 -0.51 4.01 3.92 2oasA1 VAL 230 H 0.01 0.30 0.14 -0.55 8.24 8.14 2oasA1 VAL 230 HA -0.03 0.24 0.86 -0.75 4.13 4.45 2oasA1 VAL 230 HB -0.12 -0.02 0.06 -0.04 2.12 2.00 2oasA1 VAL 230 HG13 -0.21 -0.01 -0.13 -0.04 0.97 0.58 2oasA1 VAL 230 HG23 -0.11 -0.02 -0.30 -0.04 0.95 0.48 2oasA1 HIS 231 H 0.04 0.71 0.04 -0.55 8.41 8.66 2oasA1 HIS 231 HA 0.01 0.11 0.72 -0.75 4.63 4.72 2oasA1 HIS 231 HB2 0.07 0.02 -0.07 -0.04 3.26 3.24 2oasA1 HIS 231 HB3 0.07 0.04 0.15 -0.04 3.20 3.43 2oasA1 HIS 231 HD2 0.28 -0.05 -0.08 -0.04 6.97 7.07 2oasA1 HIS 231 HE1 -0.02 -0.05 -0.11 -0.04 7.75 7.52 2oasA1 THR 232 H -0.18 0.59 0.25 -0.55 8.28 8.40 2oasA1 THR 232 HA -0.34 0.22 1.06 -0.75 4.39 4.57 2oasA1 THR 232 HB -0.18 0.08 0.03 -0.04 4.32 4.22 2oasA1 THR 232 HG23 -0.09 -0.02 -0.08 -0.04 1.22 0.99 2oasA1 GLU 233 H -0.38 0.18 0.23 -0.55 8.60 8.08 2oasA1 GLU 233 HA -0.05 0.07 0.50 -0.75 4.29 4.06 2oasA1 GLU 233 HB2 -0.16 0.05 0.20 -0.04 2.09 2.14 2oasA1 GLU 233 HB3 -0.26 -0.00 -0.13 -0.04 1.99 1.55 2oasA1 GLU 233 HG2 0.14 -0.04 0.08 -0.04 2.34 2.48 2oasA1 GLU 233 HG3 0.38 0.09 0.04 -0.04 2.34 2.81 2oasA1 LEU 234 H -0.25 0.27 0.07 -0.55 8.37 7.92 2oasA1 LEU 234 HA -0.39 0.32 0.60 -0.75 4.35 4.13 2oasA1 LEU 234 HB2 -0.27 0.06 -0.03 -0.04 1.64 1.36 2oasA1 LEU 234 HB3 -1.09 0.00 -0.31 -0.04 1.64 0.20 2oasA1 LEU 234 HG -0.08 0.03 -0.46 -0.04 1.64 1.09 2oasA1 LEU 234 HD13 0.12 -0.02 -0.14 -0.04 0.93 0.86 2oasA1 LEU 234 HD23 -0.11 -0.04 -0.06 -0.04 0.89 0.65 2oasA1 PHE 235 H -0.28 0.36 0.33 -0.55 8.34 8.20 2oasA1 PHE 235 HA -0.07 0.14 0.62 -0.75 4.62 4.56 2oasA1 PHE 235 HB2 -0.06 -0.06 0.12 -0.04 3.15 3.11 2oasA1 PHE 235 HB3 -0.12 0.11 -0.23 -0.04 3.06 2.79 2oasA1 PHE 235 HD2 -0.10 0.03 -0.21 -0.04 7.28 6.96 2oasA1 PHE 235 HE2 -0.10 0.01 -0.23 -0.04 7.38 7.01 2oasA1 PHE 235 HZ 0.13 0.05 -0.19 -0.04 7.32 7.27 2oasA1 SER 236 H 0.16 0.11 0.15 -0.55 8.46 8.34 2oasA1 SER 236 HA -0.07 0.31 0.94 -0.75 4.49 4.92 2oasA1 SER 236 HB2 0.03 0.16 0.08 -0.04 3.95 4.18 2oasA1 SER 236 HB3 0.05 -0.10 0.15 -0.04 3.93 3.99 2oasA1 ASP 237 H 0.01 0.22 0.26 -0.55 8.40 8.35 2oasA1 ASP 237 HA 0.03 0.08 0.37 -0.75 4.63 4.36 2oasA1 ASP 237 HB2 -0.00 0.02 0.16 -0.04 2.71 2.85 2oasA1 ASP 237 HB3 -0.01 0.09 0.06 -0.04 2.70 2.80 2oasA1 GLY 238 H 0.04 0.03 -0.32 -0.55 8.43 7.63 2oasA1 GLY 238 HA2 -0.00 0.09 0.31 -0.51 4.01 3.90 2oasA1 GLY 238 HA3 0.01 0.07 0.24 -0.51 4.01 3.82 2oasA1 ILE 239 H 0.08 0.20 -0.18 -0.55 8.25 7.80 2oasA1 ILE 239 HA -0.04 0.13 0.38 -0.75 4.18 3.90 2oasA1 ILE 239 HB 0.09 0.04 0.04 -0.04 1.89 2.02 2oasA1 ILE 239 HG12 0.10 -0.21 0.10 -0.04 1.49 1.44 2oasA1 ILE 239 HG13 0.05 0.05 0.03 -0.04 1.21 1.30 2oasA1 ILE 239 HG23 -0.20 0.03 -0.15 -0.04 0.93 0.56 2oasA1 ILE 239 HD13 -0.03 0.04 -0.10 -0.04 0.88 0.75 2oasA1 LEU 240 H 0.06 0.20 -0.14 -0.55 8.37 7.95 2oasA1 LEU 240 HA -0.23 0.07 0.29 -0.75 4.35 3.73 2oasA1 LEU 240 HB2 0.03 -0.03 0.02 -0.04 1.64 1.62 2oasA1 LEU 240 HB3 -0.03 0.09 0.12 -0.04 1.64 1.78 2oasA1 LEU 240 HG -0.15 0.04 -0.21 -0.04 1.64 1.27 2oasA1 LEU 240 HD13 -0.58 0.02 -0.02 -0.04 0.93 0.31 2oasA1 LEU 240 HD23 -0.02 -0.03 -0.16 -0.04 0.89 0.65 2oasA1 GLN 241 H -0.04 0.41 -0.38 -0.55 8.47 7.91 2oasA1 GLN 241 HA -0.07 0.02 0.40 -0.75 4.36 3.96 2oasA1 GLN 241 HB2 -0.03 0.18 0.07 -0.04 2.15 2.33 2oasA1 GLN 241 HB3 -0.03 0.01 -0.02 -0.04 2.02 1.93 2oasA1 GLN 241 HG2 -0.04 -0.04 -0.01 -0.04 2.40 2.28 2oasA1 GLN 241 HG3 -0.03 0.11 0.01 -0.04 2.39 2.43 2oasA1 GLN 241 HE21 -0.02 -0.02 -0.03 -0.04 6.97 6.86 2oasA1 GLN 241 HE22 -0.02 0.01 -0.02 -0.04 7.69 7.62 2oasA1 LEU 242 H -0.05 0.38 -0.13 -0.55 8.37 8.02 2oasA1 LEU 242 HA -0.04 0.09 0.49 -0.75 4.35 4.14 2oasA1 LEU 242 HB2 -0.05 0.09 0.12 -0.04 1.64 1.76 2oasA1 LEU 242 HB3 -0.04 -0.06 -0.09 -0.04 1.64 1.41 2oasA1 LEU 242 HG -0.03 0.03 -0.11 -0.04 1.64 1.50 2oasA1 LEU 242 HD13 -0.03 0.09 -0.10 -0.04 0.93 0.86 2oasA1 LEU 242 HD23 -0.05 0.00 -0.05 -0.04 0.89 0.75 2oasA1 VAL 243 H -0.10 0.40 -0.29 -0.55 8.24 7.70 2oasA1 VAL 243 HA -0.06 0.10 0.50 -0.75 4.13 3.92 2oasA1 VAL 243 HB -0.24 0.12 0.13 -0.04 2.12 2.09 2oasA1 VAL 243 HG13 -0.04 0.02 -0.13 -0.04 0.97 0.78 2oasA1 VAL 243 HG23 -0.11 0.04 -0.14 -0.04 0.95 0.70 2oasA1 GLU 244 H -0.11 0.42 -0.06 -0.55 8.60 8.31 2oasA1 GLU 244 HA -0.05 0.08 0.39 -0.75 4.29 3.96 2oasA1 GLU 244 HB2 -0.04 -0.03 0.11 -0.04 2.09 2.08 2oasA1 GLU 244 HB3 -0.09 -0.04 0.10 -0.04 1.99 1.91 2oasA1 GLU 244 HG2 -0.08 0.11 0.22 -0.04 2.34 2.54 2oasA1 GLU 244 HG3 -0.05 0.05 -0.02 -0.04 2.34 2.28 2oasA1 LYS 245 H -0.04 0.09 -0.86 -0.55 8.42 7.06 2oasA1 LYS 245 HA -0.02 0.10 0.66 -0.75 4.32 4.31 2oasA1 LYS 245 HB2 -0.03 0.07 0.18 -0.04 1.87 2.06 2oasA1 LYS 245 HB3 -0.01 -0.01 0.08 -0.04 1.79 1.80 2oasA1 LYS 245 HG2 -0.01 -0.04 0.05 -0.04 1.46 1.42 2oasA1 LYS 245 HG3 -0.01 0.01 0.11 -0.04 1.46 1.53 2oasA1 LYS 245 HD2 -0.02 0.02 -0.23 -0.04 1.69 1.42 2oasA1 LYS 245 HD3 -0.03 0.06 -0.01 -0.04 1.68 1.66 2oasA1 LYS 245 HE2 -0.01 -0.04 0.00 -0.04 2.99 2.90 2oasA1 LYS 245 HE3 -0.01 0.02 0.02 -0.04 2.99 2.97 2oasA1 GLY 246 H -0.02 0.50 -0.30 -0.55 8.43 8.07 2oasA1 GLY 246 HA2 -0.01 0.08 0.33 -0.51 4.01 3.90 2oasA1 GLY 246 HA3 -0.01 0.06 0.48 -0.51 4.01 4.03 2oasA1 VAL 247 H -0.01 0.16 -0.45 -0.55 8.24 7.39 2oasA1 VAL 247 HA 0.01 0.10 0.36 -0.75 4.13 3.84 2oasA1 VAL 247 HB -0.01 -0.06 -0.01 -0.04 2.12 2.00 2oasA1 VAL 247 HG13 0.03 0.07 -0.26 -0.04 0.97 0.76 2oasA1 VAL 247 HG23 0.01 0.01 -0.04 -0.04 0.95 0.89 2oasA1 ILE 248 H -0.02 0.29 -0.25 -0.55 8.25 7.72 2oasA1 ILE 248 HA -0.01 0.18 0.86 -0.75 4.18 4.45 2oasA1 ILE 248 HB -0.05 -0.05 -0.15 -0.04 1.89 1.60 2oasA1 ILE 248 HG12 -0.04 0.07 -0.25 -0.04 1.49 1.23 2oasA1 ILE 248 HG13 -0.04 -0.05 -0.35 -0.04 1.21 0.73 2oasA1 ILE 248 HG23 -0.05 0.01 -0.30 -0.04 0.93 0.55 2oasA1 ILE 248 HD13 -0.08 -0.01 -0.17 -0.04 0.88 0.59 2oasA1 ASN 249 H -0.00 0.26 0.18 -0.55 8.53 8.43 2oasA1 ASN 249 HA 0.00 0.20 0.61 -0.75 4.76 4.82 2oasA1 ASN 249 HB2 0.01 0.01 0.13 -0.04 2.88 2.99 2oasA1 ASN 249 HB3 0.00 0.16 -0.13 -0.04 2.79 2.79 2oasA1 ASN 249 HD21 0.01 -0.08 0.06 -0.04 7.03 6.98 2oasA1 ASN 249 HD22 0.01 0.19 -0.04 -0.04 7.74 7.85 2oasA1 ASN 250 H 0.00 0.37 0.16 -0.55 8.53 8.51 2oasA1 ASN 250 HA 0.02 0.00 0.30 -0.75 4.76 4.33 2oasA1 ASN 250 HB2 0.02 0.12 -0.36 -0.04 2.88 2.62 2oasA1 ASN 250 HB3 0.04 0.07 0.20 -0.04 2.79 3.06 2oasA1 ASN 250 HD21 -0.03 0.02 0.01 -0.04 7.03 7.00 2oasA1 ASN 250 HD22 0.02 -0.14 0.22 -0.04 7.74 7.80 2oasA1 THR 251 H 0.01 0.01 -0.54 -0.55 8.28 7.22 2oasA1 THR 251 HA 0.02 0.13 0.51 -0.75 4.39 4.29 2oasA1 THR 251 HB 0.01 -0.04 0.03 -0.04 4.32 4.28 2oasA1 THR 251 HG23 0.01 0.01 -0.05 -0.04 1.22 1.14 2oasA1 LYS 252 H 0.02 0.05 -0.20 -0.55 8.42 7.74 2oasA1 LYS 252 HA 0.02 0.20 0.78 -0.75 4.32 4.57 2oasA1 LYS 252 HB2 0.02 0.15 0.09 -0.04 1.87 2.09 2oasA1 LYS 252 HB3 0.02 0.04 0.18 -0.04 1.79 1.99 2oasA1 LYS 252 HG2 0.02 -0.10 0.03 -0.04 1.46 1.37 2oasA1 LYS 252 HG3 0.02 0.02 0.08 -0.04 1.46 1.54 2oasA1 LYS 252 HD2 0.02 0.01 -0.01 -0.04 1.69 1.66 2oasA1 LYS 252 HD3 0.02 0.13 -0.26 -0.04 1.68 1.52 2oasA1 LYS 252 HE2 0.01 -0.08 -0.09 -0.04 2.99 2.79 2oasA1 LYS 252 HE3 0.01 -0.01 -0.04 -0.04 2.99 2.91 2oasA1 LYS 253 H 0.04 0.10 -0.46 -0.55 8.42 7.55 2oasA1 LYS 253 HA 0.06 0.16 0.60 -0.75 4.32 4.38 2oasA1 LYS 253 HB2 0.08 0.05 -0.07 -0.04 1.87 1.89 2oasA1 LYS 253 HB3 0.13 -0.01 -0.09 -0.04 1.79 1.78 2oasA1 LYS 253 HG2 0.07 0.08 -0.10 -0.04 1.46 1.47 2oasA1 LYS 253 HG3 0.06 -0.19 -0.04 -0.04 1.46 1.25 2oasA1 LYS 253 HD2 0.17 0.05 -0.06 -0.04 1.69 1.82 2oasA1 LYS 253 HD3 0.10 -0.25 -0.09 -0.04 1.68 1.41 2oasA1 LYS 253 HE2 0.08 -0.19 0.13 -0.04 2.99 2.97 2oasA1 LYS 253 HE3 0.15 0.09 -0.12 -0.04 2.99 3.07 2oasA1 ARG 254 H 0.09 0.07 0.13 -0.55 8.46 8.20 2oasA1 ARG 254 HA 0.05 0.21 0.88 -0.75 4.34 4.72 2oasA1 ARG 254 HB2 0.08 0.15 0.03 -0.04 1.90 2.11 2oasA1 ARG 254 HB3 0.05 -0.08 0.10 -0.04 1.80 1.84 2oasA1 ARG 254 HG2 0.03 0.04 -0.17 -0.04 1.67 1.54 2oasA1 ARG 254 HG3 0.04 0.06 0.08 -0.04 1.67 1.81 2oasA1 ARG 254 HD2 0.03 0.09 0.09 -0.04 3.22 3.39 2oasA1 ARG 254 HD3 0.03 -0.09 0.04 -0.04 3.22 3.15 2oasA1 PHE 255 H 0.22 0.04 -0.03 -0.55 8.34 8.02 2oasA1 PHE 255 HA 0.10 0.12 0.82 -0.75 4.62 4.90 2oasA1 PHE 255 HB2 0.03 0.03 -0.03 -0.04 3.15 3.13 2oasA1 PHE 255 HB3 0.02 0.01 0.10 -0.04 3.06 3.15 2oasA1 PHE 255 HD2 0.16 0.02 -0.08 -0.04 7.28 7.35 2oasA1 PHE 255 HE2 0.07 -0.03 -0.09 -0.04 7.38 7.29 2oasA1 PHE 255 HZ 0.09 -0.05 -0.10 -0.04 7.32 7.22 2oasA1 TYR 256 H -0.23 0.15 0.03 -0.55 8.29 7.68 2oasA1 TYR 256 HA -0.16 0.02 0.28 -0.75 4.56 3.93 2oasA1 TYR 256 HB2 -0.09 0.15 -0.21 -0.04 3.06 2.88 2oasA1 TYR 256 HB3 -0.05 0.03 0.14 -0.04 2.98 3.05 2oasA1 TYR 256 HD2 -0.99 -0.01 -0.14 -0.04 7.15 5.98 2oasA1 TYR 256 HE2 -0.22 -0.02 -0.07 -0.04 6.85 6.50 2oasA1 PRO 257 HA 0.06 0.09 0.46 -0.51 4.44 4.55 2oasA1 PRO 257 HB2 0.01 0.03 0.00 -0.04 2.28 2.28 2oasA1 PRO 257 HB3 0.03 0.35 -0.08 -0.04 2.02 2.28 2oasA1 PRO 257 HG2 -0.03 -0.03 0.00 -0.04 2.03 1.93 2oasA1 PRO 257 HG3 -0.02 0.05 -0.01 -0.04 2.03 2.01 2oasA1 PRO 257 HD2 -0.11 -0.03 0.08 -0.04 3.68 3.58 2oasA1 PRO 257 HD3 -0.00 0.13 -0.47 -0.04 3.65 3.27 2oasA1 GLY 258 H 0.03 0.64 0.23 -0.55 8.43 8.79 2oasA1 GLY 258 HA2 0.02 0.13 0.29 -0.51 4.01 3.94 2oasA1 GLY 258 HA3 0.01 0.03 0.46 -0.51 4.01 4.01 2oasA1 LYS 259 H 0.06 0.31 -0.55 -0.55 8.42 7.69 2oasA1 LYS 259 HA 0.02 0.19 1.02 -0.75 4.32 4.80 2oasA1 LYS 259 HB2 0.14 0.00 -0.12 -0.04 1.87 1.86 2oasA1 LYS 259 HB3 0.07 0.07 -0.05 -0.04 1.79 1.84 2oasA1 LYS 259 HG2 0.04 0.01 -0.32 -0.04 1.46 1.15 2oasA1 LYS 259 HG3 0.06 0.12 -0.30 -0.04 1.46 1.29 2oasA1 LYS 259 HD2 0.20 -0.09 -0.12 -0.04 1.69 1.64 2oasA1 LYS 259 HD3 0.10 0.20 -0.06 -0.04 1.68 1.88 2oasA1 LYS 259 HE2 0.06 -0.07 -0.06 -0.04 2.99 2.88 2oasA1 LYS 259 HE3 0.03 -0.03 -0.10 -0.04 2.99 2.85 2oasA1 LEU 260 H -0.02 0.60 0.35 -0.55 8.37 8.75 2oasA1 LEU 260 HA -0.07 0.14 0.73 -0.75 4.35 4.39 2oasA1 LEU 260 HB2 -0.17 -0.08 0.07 -0.04 1.64 1.42 2oasA1 LEU 260 HB3 -0.32 -0.06 -0.04 -0.04 1.64 1.17 2oasA1 LEU 260 HG -0.05 0.11 -0.07 -0.04 1.64 1.59 2oasA1 LEU 260 HD13 -0.20 -0.03 -0.15 -0.04 0.93 0.51 2oasA1 LEU 260 HD23 -0.12 0.00 -0.16 -0.04 0.89 0.56 2oasA1 VAL 261 H -0.11 0.40 0.23 -0.55 8.24 8.20 2oasA1 VAL 261 HA -0.15 0.41 1.06 -0.75 4.13 4.69 2oasA1 VAL 261 HB -0.20 -0.03 0.20 -0.04 2.12 2.04 2oasA1 VAL 261 HG13 -0.19 -0.02 -0.04 -0.04 0.97 0.67 2oasA1 VAL 261 HG23 -0.00 0.05 -0.18 -0.04 0.95 0.77 2oasA1 THR 262 H -0.23 0.62 0.37 -0.55 8.28 8.48 2oasA1 THR 262 HA -0.22 0.56 0.57 -0.75 4.39 4.55 2oasA1 THR 262 HB -0.28 -0.16 -0.02 -0.04 4.32 3.82 2oasA1 THR 262 HG23 0.06 -0.01 -0.30 -0.04 1.22 0.92 2oasA1 GLY 263 H -0.31 0.40 0.21 -0.55 8.43 8.19 2oasA1 GLY 263 HA2 0.08 0.12 0.81 -0.51 4.01 4.51 2oasA1 GLY 263 HA3 0.04 -0.05 0.44 -0.51 4.01 3.93 2oasA1 PHE 264 H -0.47 0.30 0.27 -0.55 8.34 7.89 2oasA1 PHE 264 HA 0.43 0.16 0.39 -0.75 4.62 4.86 2oasA1 PHE 264 HB2 0.06 0.16 0.29 -0.04 3.15 3.62 2oasA1 PHE 264 HB3 0.12 -0.11 0.34 -0.04 3.06 3.37 2oasA1 PHE 264 HD2 0.02 -0.01 -0.29 -0.04 7.28 6.96 2oasA1 PHE 264 HE2 -0.04 -0.06 -0.05 -0.04 7.38 7.19 2oasA1 PHE 264 HZ -0.06 -0.07 -0.05 -0.04 7.32 7.10 2oasA1 ALA 265 H 0.36 0.70 0.38 -0.55 8.40 9.29 2oasA1 ALA 265 HA -0.22 0.05 0.94 -0.75 4.34 4.36 2oasA1 ALA 265 HB3 -0.07 -0.00 -0.06 -0.04 1.41 1.24 2oasA1 LEU 266 H -0.09 0.43 0.24 -0.55 8.37 8.40 2oasA1 LEU 266 HA 0.25 0.17 0.73 -0.75 4.35 4.74 2oasA1 LEU 266 HB2 0.05 0.05 -0.33 -0.04 1.64 1.37 2oasA1 LEU 266 HB3 -0.01 -0.11 0.03 -0.04 1.64 1.51 2oasA1 LEU 266 HG 0.10 0.08 -0.07 -0.04 1.64 1.72 2oasA1 LEU 266 HD13 0.05 0.02 0.11 -0.04 0.93 1.07 2oasA1 LEU 266 HD23 -0.49 -0.05 -0.06 -0.04 0.89 0.25 2oasA1 GLY 267 H 0.10 0.39 0.24 -0.55 8.43 8.61 2oasA1 GLY 267 HA2 0.03 0.21 0.55 -0.51 4.01 4.28 2oasA1 GLY 267 HA3 -0.11 -0.18 0.65 -0.51 4.01 3.86 2oasA1 SER 268 H -0.15 -0.02 0.23 -0.55 8.46 7.98 2oasA1 SER 268 HA -0.14 0.21 0.59 -0.75 4.49 4.39 2oasA1 SER 268 HB2 -0.07 -0.01 0.23 -0.04 3.95 4.06 2oasA1 SER 268 HB3 -0.07 0.09 0.18 -0.04 3.93 4.08 2oasA1 GLN 269 H -0.07 0.19 0.20 -0.55 8.47 8.25 2oasA1 GLN 269 HA 0.02 0.16 0.43 -0.75 4.36 4.22 2oasA1 GLN 269 HB2 0.05 0.03 0.15 -0.04 2.15 2.34 2oasA1 GLN 269 HB3 0.01 -0.01 0.09 -0.04 2.02 2.07 2oasA1 GLN 269 HG2 0.06 0.03 0.01 -0.04 2.40 2.46 2oasA1 GLN 269 HG3 0.06 0.02 -0.09 -0.04 2.39 2.34 2oasA1 GLN 269 HE21 0.14 0.14 -0.01 -0.04 6.97 7.20 2oasA1 GLN 269 HE22 0.10 -0.00 -0.02 -0.04 7.69 7.73 2oasA1 LYS 270 H -0.06 0.01 -0.23 -0.55 8.42 7.58 2oasA1 LYS 270 HA 0.03 0.17 0.38 -0.75 4.32 4.15 2oasA1 LYS 270 HB2 -0.03 -0.11 0.08 -0.04 1.87 1.77 2oasA1 LYS 270 HB3 -0.01 0.05 -0.12 -0.04 1.79 1.67 2oasA1 LYS 270 HG2 0.01 0.06 0.03 -0.04 1.46 1.52 2oasA1 LYS 270 HG3 -0.01 -0.01 0.01 -0.04 1.46 1.41 2oasA1 LYS 270 HD2 -0.00 0.04 -0.05 -0.04 1.69 1.63 2oasA1 LYS 270 HD3 -0.00 0.06 -0.02 -0.04 1.68 1.67 2oasA1 LYS 270 HE2 -0.02 0.00 -0.02 -0.04 2.99 2.91 2oasA1 LYS 270 HE3 -0.03 -0.10 -0.04 -0.04 2.99 2.78 2oasA1 LEU 271 H -0.13 0.10 -0.33 -0.55 8.37 7.46 2oasA1 LEU 271 HA 0.13 0.11 0.38 -0.75 4.35 4.22 2oasA1 LEU 271 HB2 -0.09 -0.16 0.02 -0.04 1.64 1.37 2oasA1 LEU 271 HB3 -0.35 0.19 -0.04 -0.04 1.64 1.40 2oasA1 LEU 271 HG 0.07 0.07 -0.30 -0.04 1.64 1.43 2oasA1 LEU 271 HD13 0.32 0.00 -0.20 -0.04 0.93 1.01 2oasA1 LEU 271 HD23 -0.18 -0.02 -0.22 -0.04 0.89 0.43 2oasA1 TYR 272 H -0.26 0.36 -0.16 -0.55 8.29 7.68 2oasA1 TYR 272 HA 0.06 0.02 0.26 -0.75 4.56 4.14 2oasA1 TYR 272 HB2 0.03 0.06 0.05 -0.04 3.06 3.16 2oasA1 TYR 272 HB3 0.01 0.09 0.08 -0.04 2.98 3.11 2oasA1 TYR 272 HD2 0.02 -0.05 -0.12 -0.04 7.15 6.96 2oasA1 TYR 272 HE2 0.01 -0.03 -0.23 -0.04 6.85 6.56 2oasA1 ASP 273 H 0.13 0.14 -0.83 -0.55 8.40 7.29 2oasA1 ASP 273 HA 0.11 0.08 0.48 -0.75 4.63 4.55 2oasA1 ASP 273 HB2 0.09 0.20 0.18 -0.04 2.71 3.13 2oasA1 ASP 273 HB3 0.11 0.08 0.01 -0.04 2.70 2.85 2oasA1 TYR 274 H 0.25 0.27 -0.19 -0.55 8.29 8.06 2oasA1 TYR 274 HA 0.07 0.09 0.47 -0.75 4.56 4.44 2oasA1 TYR 274 HB2 0.07 -0.02 0.08 -0.04 3.06 3.14 2oasA1 TYR 274 HB3 0.12 0.02 0.19 -0.04 2.98 3.27 2oasA1 TYR 274 HD2 0.14 -0.02 -0.07 -0.04 7.15 7.16 2oasA1 TYR 274 HE2 -0.00 -0.00 -0.11 -0.04 6.85 6.69 2oasA1 VAL 275 H 0.21 0.44 -0.11 -0.55 8.24 8.23 2oasA1 VAL 275 HA -0.07 0.09 0.37 -0.75 4.13 3.77 2oasA1 VAL 275 HB 0.48 -0.02 -0.07 -0.04 2.12 2.47 2oasA1 VAL 275 HG13 0.46 0.04 -0.13 -0.04 0.97 1.30 2oasA1 VAL 275 HG23 0.16 -0.02 -0.21 -0.04 0.95 0.84 2oasA1 ASP 276 H 0.08 0.20 -0.66 -0.55 8.40 7.47 2oasA1 ASP 276 HA 0.02 -0.18 0.13 -0.75 4.63 3.85 2oasA1 ASP 276 HB2 0.06 0.26 0.17 -0.04 2.71 3.16 2oasA1 ASP 276 HB3 0.05 0.16 0.10 -0.04 2.70 2.96 2oasA1 ASP 277 H 0.09 0.17 -0.10 -0.55 8.40 8.02 2oasA1 ASP 277 HA 0.32 0.17 0.35 -0.75 4.63 4.72 2oasA1 ASP 277 HB2 0.11 -0.15 -0.10 -0.04 2.71 2.53 2oasA1 ASP 277 HB3 0.07 0.14 0.02 -0.04 2.70 2.89 2oasA1 ASN 278 H -0.04 0.36 -0.26 -0.55 8.53 8.05 2oasA1 ASN 278 HA -0.17 0.20 0.82 -0.75 4.76 4.86 2oasA1 ASN 278 HB2 -0.20 0.34 -0.13 -0.04 2.88 2.85 2oasA1 ASN 278 HB3 -0.21 -0.12 0.15 -0.04 2.79 2.57 2oasA1 ASN 278 HD21 -0.34 -0.10 -0.04 -0.04 7.03 6.51 2oasA1 ASN 278 HD22 -0.89 0.46 0.03 -0.04 7.74 7.30 2oasA1 PRO 279 HA -0.42 0.05 0.30 -0.51 4.44 3.86 2oasA1 PRO 279 HB2 -0.06 0.02 -0.02 -0.04 2.28 2.19 2oasA1 PRO 279 HB3 -0.02 0.01 0.06 -0.04 2.02 2.03 2oasA1 PRO 279 HG2 -0.04 0.01 0.08 -0.04 2.03 2.03 2oasA1 PRO 279 HG3 -0.11 0.03 0.05 -0.04 2.03 1.96 2oasA1 PRO 279 HD2 -0.12 0.05 0.21 -0.04 3.68 3.78 2oasA1 PRO 279 HD3 -0.18 0.48 0.36 -0.04 3.65 4.27 2oasA1 ALA 280 H -0.12 0.04 -0.44 -0.55 8.40 7.35 2oasA1 ALA 280 HA -0.00 0.19 0.55 -0.75 4.34 4.32 2oasA1 ALA 280 HB3 -0.02 0.00 0.04 -0.04 1.41 1.40 2oasA1 VAL 281 H -0.08 0.58 -0.21 -0.55 8.24 7.99 2oasA1 VAL 281 HA -0.03 0.14 0.98 -0.75 4.13 4.46 2oasA1 VAL 281 HB 0.08 0.05 0.12 -0.04 2.12 2.33 2oasA1 VAL 281 HG13 0.13 -0.04 -0.27 -0.04 0.97 0.76 2oasA1 VAL 281 HG23 -0.21 -0.03 -0.20 -0.04 0.95 0.47 2oasA1 ILE 282 H -0.02 0.88 0.23 -0.55 8.25 8.79 2oasA1 ILE 282 HA 0.20 0.25 0.96 -0.75 4.18 4.84 2oasA1 ILE 282 HB -0.03 0.08 0.12 -0.04 1.89 2.02 2oasA1 ILE 282 HG12 0.11 0.05 -0.39 -0.04 1.49 1.22 2oasA1 ILE 282 HG13 0.23 -0.03 -0.14 -0.04 1.21 1.23 2oasA1 ILE 282 HG23 -0.01 -0.06 -0.16 -0.04 0.93 0.67 2oasA1 ILE 282 HD13 0.23 0.04 -0.25 -0.04 0.88 0.86 2oasA1 PHE 283 H 0.40 0.83 0.24 -0.55 8.34 9.26 2oasA1 PHE 283 HA 0.04 0.26 0.52 -0.75 4.62 4.69 2oasA1 PHE 283 HB2 0.03 0.06 0.01 -0.04 3.15 3.21 2oasA1 PHE 283 HB3 0.05 -0.06 -0.05 -0.04 3.06 2.96 2oasA1 PHE 283 HD2 0.08 0.07 -0.27 -0.04 7.28 7.11 2oasA1 PHE 283 HE2 0.07 -0.03 -0.19 -0.04 7.38 7.18 2oasA1 PHE 283 HZ 0.03 -0.08 -0.21 -0.04 7.32 7.02 2oasA1 ASP 285 HA 0.10 0.03 0.26 -0.75 4.63 4.26 2oasA1 ASP 285 HB2 0.07 0.11 0.12 -0.04 2.71 2.96 2oasA1 ASP 285 HB3 0.06 0.01 0.13 -0.04 2.70 2.86 2oasA1 ILE 286 H 0.10 0.30 0.14 -0.55 8.25 8.25 2oasA1 ILE 286 HA 0.06 0.02 0.33 -0.75 4.18 3.84 2oasA1 ILE 286 HB 0.08 -0.03 -0.14 -0.04 1.89 1.77 2oasA1 ILE 286 HG12 0.09 0.23 -0.29 -0.04 1.49 1.47 2oasA1 ILE 286 HG13 0.02 0.04 -0.17 -0.04 1.21 1.06 2oasA1 ILE 286 HG23 0.22 -0.01 0.09 -0.04 0.93 1.19 2oasA1 ILE 286 HD13 0.05 0.03 -0.16 -0.04 0.88 0.75 2oasA1 GLU 287 H 0.02 0.12 -0.43 -0.55 8.60 7.76 2oasA1 GLU 287 HA -0.03 0.11 0.45 -0.75 4.29 4.06 2oasA1 GLU 287 HB2 -0.03 -0.07 0.08 -0.04 2.09 2.03 2oasA1 GLU 287 HB3 0.00 0.04 -0.03 -0.04 1.99 1.96 2oasA1 GLU 287 HG2 -0.01 0.02 -0.08 -0.04 2.34 2.23 2oasA1 GLU 287 HG3 -0.03 0.08 0.12 -0.04 2.34 2.46 2oasA1 GLN 288 H 0.02 0.61 -0.29 -0.55 8.47 8.26 2oasA1 GLN 288 HA -0.02 0.14 0.84 -0.75 4.36 4.56 2oasA1 GLN 288 HB2 0.05 0.15 0.13 -0.04 2.15 2.44 2oasA1 GLN 288 HB3 0.07 0.03 -0.09 -0.04 2.02 1.99 2oasA1 GLN 288 HG2 0.12 0.03 -0.04 -0.04 2.40 2.46 2oasA1 GLN 288 HG3 0.06 -0.01 -0.02 -0.04 2.39 2.38 2oasA1 GLN 288 HE21 0.04 -0.03 -0.09 -0.04 6.97 6.85 2oasA1 GLN 288 HE22 0.06 0.08 -0.03 -0.04 7.69 7.75 2oasA1 VAL 289 H 0.02 0.43 0.07 -0.55 8.24 8.20 2oasA1 VAL 289 HA 0.09 0.13 0.27 -0.75 4.13 3.86 2oasA1 VAL 289 HB -0.06 0.09 -0.08 -0.04 2.12 2.02 2oasA1 VAL 289 HG13 0.03 -0.02 -0.16 -0.04 0.97 0.78 2oasA1 VAL 289 HG23 -0.14 0.00 -0.27 -0.04 0.95 0.50 2oasA1 ASN 290 H -0.04 0.39 -0.34 -0.55 8.53 7.99 2oasA1 ASN 290 HA -0.48 0.20 0.67 -0.75 4.76 4.40 2oasA1 ASN 290 HB2 -0.03 0.22 0.10 -0.04 2.88 3.14 2oasA1 ASN 290 HB3 -0.12 -0.12 0.21 -0.04 2.79 2.72 2oasA1 ASN 290 HD21 0.29 -0.07 0.01 -0.04 7.03 7.22 2oasA1 ASN 290 HD22 0.09 -0.07 0.09 -0.04 7.74 7.81 2oasA1 ASP 291 H -0.14 0.59 -0.58 -0.55 8.40 7.73 2oasA1 ASP 291 HA -0.14 0.07 0.77 -0.75 4.63 4.57 2oasA1 ASP 291 HB2 -0.08 0.33 0.16 -0.04 2.71 3.07 2oasA1 ASP 291 HB3 -0.13 0.02 0.23 -0.04 2.70 2.78 2oasA1 THR 292 H -0.18 0.22 0.15 -0.55 8.28 7.92 2oasA1 THR 292 HA -0.19 0.10 0.31 -0.75 4.39 3.86 2oasA1 THR 292 HB -0.10 0.04 0.05 -0.04 4.32 4.26 2oasA1 THR 292 HG23 -0.17 0.09 0.16 -0.04 1.22 1.26 2oasA1 SER 293 H -0.11 0.03 -0.33 -0.55 8.46 7.51 2oasA1 SER 293 HA -0.08 0.11 0.37 -0.75 4.49 4.13 2oasA1 SER 293 HB2 -0.06 -0.02 0.05 -0.04 3.95 3.88 2oasA1 SER 293 HB3 -0.08 -0.03 0.01 -0.04 3.93 3.79 2oasA1 ILE 294 H -0.18 0.41 -0.28 -0.55 8.25 7.65 2oasA1 ILE 294 HA -0.26 0.13 0.71 -0.75 4.18 4.00 2oasA1 ILE 294 HB -0.29 0.19 0.16 -0.04 1.89 1.91 2oasA1 ILE 294 HG12 -0.22 0.00 -0.04 -0.04 1.49 1.19 2oasA1 ILE 294 HG13 -0.15 -0.14 -0.07 -0.04 1.21 0.82 2oasA1 ILE 294 HG23 -1.14 -0.01 -0.18 -0.04 0.93 -0.44 2oasA1 ILE 294 HD13 -0.11 0.02 0.01 -0.04 0.88 0.77 2oasA1 ILE 295 H -0.25 0.46 0.05 -0.55 8.25 7.96 2oasA1 ILE 295 HA -0.43 0.07 0.35 -0.75 4.18 3.41 2oasA1 ILE 295 HB -0.16 -0.06 0.04 -0.04 1.89 1.68 2oasA1 ILE 295 HG12 -0.12 0.13 -0.01 -0.04 1.49 1.44 2oasA1 ILE 295 HG13 -0.26 0.17 -0.19 -0.04 1.21 0.90 2oasA1 ILE 295 HG23 0.06 0.02 -0.11 -0.04 0.93 0.86 2oasA1 ILE 295 HD13 -0.74 -0.05 -0.25 -0.04 0.88 -0.20 2oasA1 ARG 296 H -0.13 0.39 -0.23 -0.55 8.46 7.94 2oasA1 ARG 296 HA -0.05 0.16 0.36 -0.75 4.34 4.06 2oasA1 ARG 296 HB2 -0.04 -0.00 -0.12 -0.04 1.90 1.70 2oasA1 ARG 296 HB3 -0.06 -0.03 0.08 -0.04 1.80 1.75 2oasA1 ARG 296 HG2 -0.08 0.10 -0.15 -0.04 1.67 1.49 2oasA1 ARG 296 HG3 -0.05 0.01 -0.42 -0.04 1.67 1.17 2oasA1 ARG 296 HD2 -0.05 -0.09 -0.07 -0.04 3.22 2.97 2oasA1 ARG 296 HD3 -0.04 -0.04 -0.03 -0.04 3.22 3.07 2oasA1 LYS 297 H -0.13 0.40 -0.65 -0.55 8.42 7.49 2oasA1 LYS 297 HA -0.02 0.01 0.38 -0.75 4.32 3.94 2oasA1 LYS 297 HB2 -0.09 0.19 0.10 -0.04 1.87 2.04 2oasA1 LYS 297 HB3 0.05 -0.11 0.02 -0.04 1.79 1.71 2oasA1 LYS 297 HG2 -0.01 -0.07 0.04 -0.04 1.46 1.38 2oasA1 LYS 297 HG3 -0.09 0.17 0.13 -0.04 1.46 1.63 2oasA1 LYS 297 HD2 -0.07 -0.01 0.07 -0.04 1.69 1.64 2oasA1 LYS 297 HD3 0.13 -0.05 0.01 -0.04 1.68 1.72 2oasA1 LYS 297 HE2 0.02 -0.04 0.01 -0.04 2.99 2.94 2oasA1 LYS 297 HE3 -0.04 0.12 -0.00 -0.04 2.99 3.02 2oasA1 ASN 298 H -0.07 0.42 -0.25 -0.55 8.53 8.08 2oasA1 ASN 298 HA 0.03 0.04 0.87 -0.75 4.76 4.95 2oasA1 ASN 298 HB2 -0.04 0.13 0.15 -0.04 2.88 3.07 2oasA1 ASN 298 HB3 0.02 0.11 -0.02 -0.04 2.79 2.85 2oasA1 ASN 298 HD21 0.13 0.10 0.04 -0.04 7.03 7.26 2oasA1 ASN 298 HD22 -0.14 0.07 0.03 -0.04 7.74 7.65 2oasA1 PRO 299 HA 0.02 -0.05 0.56 -0.51 4.44 4.45 2oasA1 PRO 299 HB2 0.02 0.06 0.05 -0.04 2.28 2.37 2oasA1 PRO 299 HB3 0.02 -0.06 0.15 -0.04 2.02 2.09 2oasA1 PRO 299 HG2 0.02 0.15 0.14 -0.04 2.03 2.31 2oasA1 PRO 299 HG3 0.02 -0.01 0.12 -0.04 2.03 2.12 2oasA1 PRO 299 HD2 0.03 -0.03 0.35 -0.04 3.68 3.99 2oasA1 PRO 299 HD3 0.02 0.20 0.26 -0.04 3.65 4.09 2oasA1 ASN 300 H 0.03 0.69 0.11 -0.55 8.53 8.81 2oasA1 ASN 300 HA 0.04 0.17 -0.03 -0.75 4.76 4.19 2oasA1 ASN 300 HB2 0.03 0.21 -0.09 -0.04 2.88 2.98 2oasA1 ASN 300 HB3 0.03 -0.07 0.14 -0.04 2.79 2.85 2oasA1 ASN 300 HD21 0.02 -0.10 -0.07 -0.04 7.03 6.84 2oasA1 ASN 300 HD22 0.02 0.12 -0.21 -0.04 7.74 7.64 2oasA1 VAL 301 H 0.03 0.09 -0.26 -0.55 8.24 7.55 2oasA1 VAL 301 HA 0.04 0.15 0.37 -0.75 4.13 3.93 2oasA1 VAL 301 HB 0.05 -0.05 0.07 -0.04 2.12 2.15 2oasA1 VAL 301 HG13 0.09 0.02 -0.07 -0.04 0.97 0.97 2oasA1 VAL 301 HG23 0.02 0.10 -0.02 -0.04 0.95 1.01 2oasA1 ALA 303 HA -0.04 -0.08 0.39 -0.75 4.34 3.86 2oasA1 ALA 303 HB3 0.09 -0.04 0.00 -0.04 1.41 1.42 2oasA1 ILE 304 H -0.07 0.67 0.26 -0.55 8.25 8.56 2oasA1 ILE 304 HA -0.01 0.26 1.18 -0.75 4.18 4.86 2oasA1 ILE 304 HB -0.05 -0.00 0.22 -0.04 1.89 2.01 2oasA1 ILE 304 HG12 -0.04 0.02 -0.15 -0.04 1.49 1.27 2oasA1 ILE 304 HG13 -0.04 0.06 -0.31 -0.04 1.21 0.87 2oasA1 ILE 304 HG23 -0.02 -0.04 -0.13 -0.04 0.93 0.69 2oasA1 ILE 304 HD13 -0.06 -0.02 -0.12 -0.04 0.88 0.64 2oasA1 ASN 305 H 0.02 0.68 0.43 -0.55 8.53 9.12 2oasA1 ASN 305 HA 0.01 0.17 0.98 -0.75 4.76 5.17 2oasA1 ASN 305 HB2 0.05 0.04 0.07 -0.04 2.88 2.99 2oasA1 ASN 305 HB3 0.06 -0.10 0.22 -0.04 2.79 2.93 2oasA1 ASN 305 HD21 0.02 0.01 -0.19 -0.04 7.03 6.83 2oasA1 ASN 305 HD22 0.04 0.09 -0.26 -0.04 7.74 7.57 2oasA1 SER 306 H 0.05 0.09 0.24 -0.55 8.46 8.30 2oasA1 SER 306 HA 0.03 0.34 1.07 -0.75 4.49 5.19 2oasA1 SER 306 HB2 0.03 -0.02 0.01 -0.04 3.95 3.93 2oasA1 SER 306 HB3 0.05 -0.08 0.08 -0.04 3.93 3.94 2oasA1 ALA 307 H 0.02 0.34 0.19 -0.55 8.40 8.41 2oasA1 ALA 307 HA 0.03 0.06 0.67 -0.75 4.34 4.34 2oasA1 ALA 307 HB3 0.03 0.04 -0.18 -0.04 1.41 1.25 2oasA1 LEU 308 H -0.01 0.46 0.48 -0.55 8.37 8.76 2oasA1 LEU 308 HA -0.06 0.12 0.85 -0.75 4.35 4.50 2oasA1 LEU 308 HB2 -0.05 0.06 0.11 -0.04 1.64 1.72 2oasA1 LEU 308 HB3 -0.10 -0.03 -0.01 -0.04 1.64 1.46 2oasA1 LEU 308 HG -0.06 -0.03 -0.05 -0.04 1.64 1.46 2oasA1 LEU 308 HD13 -0.08 -0.06 -0.31 -0.04 0.93 0.44 2oasA1 LEU 308 HD23 -0.29 0.01 -0.09 -0.04 0.89 0.48 2oasA1 GLN 309 H -0.01 0.45 0.35 -0.55 8.47 8.71 2oasA1 GLN 309 HA -0.02 0.34 0.84 -0.75 4.36 4.77 2oasA1 GLN 309 HB2 -0.03 0.04 -0.11 -0.04 2.15 2.01 2oasA1 GLN 309 HB3 -0.01 -0.13 0.08 -0.04 2.02 1.93 2oasA1 GLN 309 HG2 0.01 -0.04 -0.31 -0.04 2.40 2.01 2oasA1 GLN 309 HG3 -0.02 0.18 0.02 -0.04 2.39 2.53 2oasA1 GLN 309 HE21 -0.01 -0.06 0.02 -0.04 6.97 6.87 2oasA1 GLN 309 HE22 -0.03 0.14 -0.03 -0.04 7.69 7.72 2oasA1 VAL 310 H -0.00 0.89 0.35 -0.55 8.24 8.93 2oasA1 VAL 310 HA 0.02 0.28 1.01 -0.75 4.13 4.69 2oasA1 VAL 310 HB 0.01 -0.01 -0.07 -0.04 2.12 2.00 2oasA1 VAL 310 HG13 0.01 0.06 -0.26 -0.04 0.97 0.74 2oasA1 VAL 310 HG23 0.02 -0.01 -0.33 -0.04 0.95 0.58 2oasA1 ASP 311 H 0.03 0.32 0.16 -0.55 8.40 8.37 2oasA1 ASP 311 HA 0.06 0.59 0.62 -0.75 4.63 5.15 2oasA1 ASP 311 HB2 0.25 0.21 -0.03 -0.04 2.71 3.10 2oasA1 ASP 311 HB3 0.13 -0.07 -0.06 -0.04 2.70 2.66 2oasA1 LEU 312 H 0.04 0.38 0.14 -0.55 8.37 8.38 2oasA1 LEU 312 HA -0.10 0.10 0.19 -0.75 4.35 3.78 2oasA1 LEU 312 HB2 -0.34 0.05 0.09 -0.04 1.64 1.40 2oasA1 LEU 312 HB3 -0.24 -0.03 0.12 -0.04 1.64 1.45 2oasA1 LEU 312 HG 0.06 0.00 -0.05 -0.04 1.64 1.62 2oasA1 LEU 312 HD13 0.11 -0.01 -0.03 -0.04 0.93 0.95 2oasA1 LEU 312 HD23 -0.01 0.01 -0.14 -0.04 0.89 0.71 2oasA1 THR 313 H -0.24 -0.14 -0.90 -0.55 8.28 6.44 2oasA1 THR 313 HA -0.39 0.26 0.83 -0.75 4.39 4.34 2oasA1 THR 313 HB -1.18 0.00 -0.05 -0.04 4.32 3.05 2oasA1 THR 313 HG23 -0.07 -0.04 -0.13 -0.04 1.22 0.94 2oasA1 GLY 314 H -0.09 0.33 -0.06 -0.55 8.43 8.07 2oasA1 GLY 314 HA2 -0.03 0.08 0.15 -0.51 4.01 3.70 2oasA1 GLY 314 HA3 -0.04 0.28 0.80 -0.51 4.01 4.54 2oasA1 GLN 315 H -0.00 -0.06 -0.02 -0.55 8.47 7.84 2oasA1 GLN 315 HA 0.05 0.08 0.53 -0.75 4.36 4.27 2oasA1 GLN 315 HB2 0.08 -0.10 0.11 -0.04 2.15 2.19 2oasA1 GLN 315 HB3 0.07 0.07 -0.02 -0.04 2.02 2.11 2oasA1 GLN 315 HG2 0.07 -0.08 -0.00 -0.04 2.40 2.34 2oasA1 GLN 315 HG3 0.07 -0.02 -0.02 -0.04 2.39 2.38 2oasA1 GLN 315 HE21 0.18 0.06 -0.01 -0.04 6.97 7.15 2oasA1 GLN 315 HE22 0.28 -0.04 0.00 -0.04 7.69 7.89 2oasA1 VAL 316 H 0.06 0.61 0.31 -0.55 8.24 8.68 2oasA1 VAL 316 HA 0.04 0.21 0.96 -0.75 4.13 4.59 2oasA1 VAL 316 HB 0.06 -0.03 0.22 -0.04 2.12 2.32 2oasA1 VAL 316 HG13 0.04 -0.03 -0.20 -0.04 0.97 0.74 2oasA1 VAL 316 HG23 0.05 0.08 -0.14 -0.04 0.95 0.89 2oasA1 CYS 317 H 0.03 0.78 0.41 -0.55 8.50 9.17 2oasA1 CYS 317 HA 0.04 0.20 1.09 -0.75 4.58 5.16 2oasA1 CYS 317 HB2 0.03 0.00 -0.10 -0.04 2.97 2.86 2oasA1 CYS 317 HB3 0.01 0.08 0.27 -0.04 2.97 3.29 2oasA1 ALA 318 H 0.04 0.16 0.28 -0.55 8.40 8.33 2oasA1 ALA 318 HA 0.01 0.03 0.98 -0.75 4.34 4.60 2oasA1 ALA 318 HB3 0.06 0.05 0.08 -0.04 1.41 1.56 2oasA1 ASP 319 H 0.02 0.11 0.20 -0.55 8.40 8.17 2oasA1 ASP 319 HA -0.05 0.17 0.98 -0.75 4.63 4.97 2oasA1 ASP 319 HB2 -0.07 -0.08 -0.09 -0.04 2.71 2.43 2oasA1 ASP 319 HB3 0.03 0.11 -0.31 -0.04 2.70 2.49 2oasA1 SER 320 H -0.01 0.18 0.06 -0.55 8.46 8.15 2oasA1 SER 320 HA 0.01 -0.01 0.57 -0.75 4.49 4.31 2oasA1 SER 320 HB2 -0.04 0.23 -0.38 -0.04 3.95 3.72 2oasA1 SER 320 HB3 -0.11 0.05 -0.28 -0.04 3.93 3.54 2oasA1 ILE 321 H -0.01 0.72 -0.00 -0.55 8.25 8.40 2oasA1 ILE 321 HA -0.03 0.11 0.78 -0.75 4.18 4.29 2oasA1 ILE 321 HB -0.01 0.04 0.13 -0.04 1.89 2.01 2oasA1 ILE 321 HG12 -0.09 0.05 -0.09 -0.04 1.49 1.32 2oasA1 ILE 321 HG13 -0.10 -0.10 -0.41 -0.04 1.21 0.56 2oasA1 ILE 321 HG23 -0.03 -0.00 -0.08 -0.04 0.93 0.78 2oasA1 ILE 321 HD13 -0.12 0.00 -0.07 -0.04 0.88 0.66 2oasA1 GLY 322 H -0.01 0.12 -0.12 -0.55 8.43 7.87 2oasA1 GLY 322 HA2 -0.00 0.07 0.01 -0.51 4.01 3.58 2oasA1 GLY 322 HA3 -0.01 0.08 0.55 -0.51 4.01 4.12 2oasA1 THR 323 H -0.00 0.15 0.12 -0.55 8.28 8.00 2oasA1 THR 323 HA 0.00 0.26 0.65 -0.75 4.39 4.54 2oasA1 THR 323 HB 0.00 0.02 0.09 -0.04 4.32 4.40 2oasA1 THR 323 HG23 0.00 0.02 -0.06 -0.04 1.22 1.14 2oasA1 LYS 324 H -0.01 0.23 -0.21 -0.55 8.42 7.88 2oasA1 LYS 324 HA -0.03 0.19 0.72 -0.75 4.32 4.44 2oasA1 LYS 324 HB2 -0.01 -0.01 -0.09 -0.04 1.87 1.73 2oasA1 LYS 324 HB3 -0.01 0.07 0.05 -0.04 1.79 1.86 2oasA1 LYS 324 HG2 -0.01 0.29 0.22 -0.04 1.46 1.92 2oasA1 LYS 324 HG3 0.00 -0.05 0.08 -0.04 1.46 1.44 2oasA1 LYS 324 HD2 -0.00 -0.01 0.04 -0.04 1.69 1.67 2oasA1 LYS 324 HD3 -0.01 0.07 0.00 -0.04 1.68 1.71 2oasA1 LYS 324 HE2 -0.01 0.07 0.03 -0.04 2.99 3.04 2oasA1 LYS 324 HE3 -0.01 -0.23 0.06 -0.04 2.99 2.78 2oasA1 ILE 325 H -0.10 0.24 0.05 -0.55 8.25 7.89 2oasA1 ILE 325 HA -0.20 -0.00 0.40 -0.75 4.18 3.63 2oasA1 ILE 325 HB -0.28 -0.02 0.01 -0.04 1.89 1.55 2oasA1 ILE 325 HG12 -0.12 0.09 0.03 -0.04 1.49 1.45 2oasA1 ILE 325 HG13 -0.28 0.02 -0.04 -0.04 1.21 0.87 2oasA1 ILE 325 HG23 -0.99 -0.01 -0.21 -0.04 0.93 -0.33 2oasA1 ILE 325 HD13 -0.18 -0.01 -0.20 -0.04 0.88 0.45 2oasA1 TYR 326 H -0.07 0.38 0.38 -0.55 8.29 8.43 2oasA1 TYR 326 HA -0.12 0.16 0.77 -0.75 4.56 4.61 2oasA1 TYR 326 HB2 -0.09 -0.01 -0.11 -0.04 3.06 2.81 2oasA1 TYR 326 HB3 -0.11 -0.06 -0.23 -0.04 2.98 2.54 2oasA1 TYR 326 HD2 -0.05 0.02 -0.18 -0.04 7.15 6.89 2oasA1 TYR 326 HE2 0.00 -0.01 -0.07 -0.04 6.85 6.73 2oasA1 SER 327 H -0.16 0.40 0.05 -0.55 8.46 8.20 2oasA1 SER 327 HA -0.44 0.22 0.86 -0.75 4.49 4.37 2oasA1 SER 327 HB2 -0.81 0.01 0.14 -0.04 3.95 3.24 2oasA1 SER 327 HB3 -0.03 0.04 -0.13 -0.04 3.93 3.77 2oasA1 GLY 328 H -0.60 0.34 0.29 -0.55 8.43 7.92 2oasA1 GLY 328 HA2 -0.02 0.12 0.47 -0.51 4.01 4.07 2oasA1 GLY 328 HA3 -0.39 0.11 0.50 -0.51 4.01 3.73 2oasA1 VAL 329 H 0.21 0.25 0.22 -0.55 8.24 8.36 2oasA1 VAL 329 HA 0.15 0.03 0.44 -0.75 4.13 4.00 2oasA1 VAL 329 HB 0.10 0.13 0.08 -0.04 2.12 2.39 2oasA1 VAL 329 HG13 0.17 0.01 -0.20 -0.04 0.97 0.91 2oasA1 VAL 329 HG23 0.02 0.01 0.01 -0.04 0.95 0.95 2oasA1 GLY 330 H 0.39 0.18 0.04 -0.55 8.43 8.50 2oasA1 GLY 330 HA2 0.31 0.04 0.38 -0.51 4.01 4.22 2oasA1 GLY 330 HA3 0.38 0.04 0.43 -0.51 4.01 4.35 2oasA1 GLY 331 H 0.24 0.13 0.27 -0.55 8.43 8.52 2oasA1 GLY 331 HA2 0.16 0.17 0.79 -0.51 4.01 4.62 2oasA1 GLY 331 HA3 0.20 0.02 0.42 -0.51 4.01 4.13 2oasA1 GLN 332 H 0.19 0.26 0.18 -0.55 8.47 8.55 2oasA1 GLN 332 HA 0.22 0.15 0.40 -0.75 4.36 4.37 2oasA1 GLN 332 HB2 0.10 0.06 0.12 -0.04 2.15 2.39 2oasA1 GLN 332 HB3 0.14 -0.02 0.17 -0.04 2.02 2.26 2oasA1 GLN 332 HG2 0.13 0.10 0.13 -0.04 2.40 2.73 2oasA1 GLN 332 HG3 0.07 0.01 0.04 -0.04 2.39 2.47 2oasA1 GLN 332 HE21 0.07 0.29 0.10 -0.04 6.97 7.38 2oasA1 GLN 332 HE22 0.09 -0.09 0.10 -0.04 7.69 7.75 2oasA1 ASP 334 HA -0.19 -0.04 0.35 -0.75 4.63 4.00 2oasA1 ASP 334 HB2 -0.21 0.01 0.12 -0.04 2.71 2.58 2oasA1 ASP 334 HB3 -0.31 0.06 -0.03 -0.04 2.70 2.37 2oasA1 PHE 335 H 0.07 0.37 -0.87 -0.55 8.34 7.36 2oasA1 PHE 335 HA -0.01 0.08 0.47 -0.75 4.62 4.40 2oasA1 PHE 335 HB2 0.01 0.04 0.14 -0.04 3.15 3.29 2oasA1 PHE 335 HB3 0.02 0.05 -0.01 -0.04 3.06 3.07 2oasA1 PHE 335 HD2 0.02 0.15 0.06 -0.04 7.28 7.47 2oasA1 PHE 335 HE2 0.08 0.02 -0.01 -0.04 7.38 7.44 2oasA1 PHE 335 HZ -0.02 -0.00 -0.29 -0.04 7.32 6.97 2oasA1 ILE 336 H 0.09 0.39 0.35 -0.55 8.25 8.53 2oasA1 ILE 336 HA 0.12 0.17 0.51 -0.75 4.18 4.21 2oasA1 ILE 336 HB 0.00 -0.06 -0.01 -0.04 1.89 1.78 2oasA1 ILE 336 HG12 0.09 0.02 -0.02 -0.04 1.49 1.54 2oasA1 ILE 336 HG13 0.10 0.25 0.07 -0.04 1.21 1.58 2oasA1 ILE 336 HG23 0.12 -0.02 -0.22 -0.04 0.93 0.78 2oasA1 ILE 336 HD13 0.06 -0.05 -0.08 -0.04 0.88 0.76 2oasA1 ARG 337 H 0.02 0.07 -0.25 -0.55 8.46 7.75 2oasA1 ARG 337 HA 0.12 0.17 0.49 -0.75 4.34 4.37 2oasA1 ARG 337 HB2 0.15 -0.04 0.05 -0.04 1.90 2.02 2oasA1 ARG 337 HB3 -0.01 0.04 0.12 -0.04 1.80 1.91 2oasA1 ARG 337 HG2 0.04 -0.04 -0.03 -0.04 1.67 1.59 2oasA1 ARG 337 HG3 0.00 0.03 -0.19 -0.04 1.67 1.47 2oasA1 ARG 337 HD2 0.04 0.06 0.05 -0.04 3.22 3.33 2oasA1 ARG 337 HD3 0.09 -0.04 -0.02 -0.04 3.22 3.20 2oasA1 GLY 338 H -0.03 0.58 -0.00 -0.55 8.43 8.44 2oasA1 GLY 338 HA2 -0.04 0.02 0.36 -0.51 4.01 3.84 2oasA1 GLY 338 HA3 -0.05 0.05 0.28 -0.51 4.01 3.78 2oasA1 ALA 339 H 0.07 0.28 -0.61 -0.55 8.40 7.60 2oasA1 ALA 339 HA 0.06 0.04 0.31 -0.75 4.34 3.99 2oasA1 ALA 339 HB3 0.11 0.07 -0.16 -0.04 1.41 1.39 2oasA1 GLY 340 H 0.05 0.23 -0.42 -0.55 8.43 7.75 2oasA1 GLY 340 HA2 0.02 0.10 0.41 -0.51 4.01 4.03 2oasA1 GLY 340 HA3 0.01 -0.04 0.30 -0.51 4.01 3.77 2oasA1 LEU 341 H 0.00 0.33 -0.19 -0.55 8.37 7.98 2oasA1 LEU 341 HA -0.01 0.00 0.52 -0.75 4.35 4.10 2oasA1 LEU 341 HB2 -0.02 0.06 0.10 -0.04 1.64 1.73 2oasA1 LEU 341 HB3 -0.02 -0.06 0.02 -0.04 1.64 1.53 2oasA1 LEU 341 HG -0.01 0.12 -0.04 -0.04 1.64 1.66 2oasA1 LEU 341 HD13 -0.03 -0.05 -0.12 -0.04 0.93 0.68 2oasA1 LEU 341 HD23 -0.02 -0.01 -0.03 -0.04 0.89 0.78 2oasA1 SER 342 H 0.01 0.34 -0.26 -0.55 8.46 8.00 2oasA1 SER 342 HA -0.00 0.14 0.49 -0.75 4.49 4.35 2oasA1 SER 342 HB2 -0.00 0.07 0.13 -0.04 3.95 4.11 2oasA1 SER 342 HB3 0.03 0.08 0.15 -0.04 3.93 4.14 2oasA1 GLU 343 H 0.01 0.19 0.15 -0.55 8.60 8.40 2oasA1 GLU 343 HA 0.01 0.07 0.50 -0.75 4.29 4.11 2oasA1 GLU 343 HB2 0.01 -0.05 0.24 -0.04 2.09 2.26 2oasA1 GLU 343 HB3 0.01 -0.01 0.09 -0.04 1.99 2.04 2oasA1 GLU 343 HG2 0.00 0.02 0.08 -0.04 2.34 2.39 2oasA1 GLU 343 HG3 0.00 0.08 0.13 -0.04 2.34 2.52 2oasA1 GLY 344 H 0.02 0.20 0.30 -0.55 8.43 8.41 2oasA1 GLY 344 HA2 0.04 -0.01 0.38 -0.51 4.01 3.91 2oasA1 GLY 344 HA3 0.04 0.01 0.52 -0.51 4.01 4.07 2oasA1 GLY 345 H 0.04 0.45 -0.28 -0.55 8.43 8.10 2oasA1 GLY 345 HA2 0.06 0.09 0.41 -0.51 4.01 4.06 2oasA1 GLY 345 HA3 0.06 0.18 0.31 -0.51 4.01 4.05 2oasA1 ARG 346 H 0.10 0.81 0.32 -0.55 8.46 9.14 2oasA1 ARG 346 HA 0.41 0.03 0.77 -0.75 4.34 4.80 2oasA1 ARG 346 HB2 0.06 0.04 -0.01 -0.04 1.90 1.95 2oasA1 ARG 346 HB3 0.06 -0.08 0.02 -0.04 1.80 1.76 2oasA1 ARG 346 HG2 0.35 -0.12 -0.03 -0.04 1.67 1.82 2oasA1 ARG 346 HG3 0.24 0.22 -0.65 -0.04 1.67 1.44 2oasA1 ARG 346 HD2 0.05 0.03 -0.03 -0.04 3.22 3.23 2oasA1 ARG 346 HD3 0.12 -0.09 -0.05 -0.04 3.22 3.16 2oasA1 SER 347 H 0.29 0.08 0.25 -0.55 8.46 8.53 2oasA1 SER 347 HA 0.08 0.51 1.11 -0.75 4.49 5.43 2oasA1 SER 347 HB2 0.11 -0.06 0.15 -0.04 3.95 4.12 2oasA1 SER 347 HB3 0.15 0.08 0.01 -0.04 3.93 4.14 2oasA1 VAL 348 H 0.05 0.69 0.42 -0.55 8.24 8.84 2oasA1 VAL 348 HA 0.09 0.10 0.77 -0.75 4.13 4.34 2oasA1 VAL 348 HB -0.03 0.03 -0.01 -0.04 2.12 2.06 2oasA1 VAL 348 HG13 -0.01 -0.05 -0.35 -0.04 0.97 0.51 2oasA1 VAL 348 HG23 -0.13 -0.00 -0.33 -0.04 0.95 0.45 2oasA1 ILE 349 H 0.07 0.64 0.25 -0.55 8.25 8.65 2oasA1 ILE 349 HA 0.04 0.18 0.81 -0.75 4.18 4.45 2oasA1 ILE 349 HB 0.05 0.02 0.25 -0.04 1.89 2.17 2oasA1 ILE 349 HG12 0.07 0.00 -0.12 -0.04 1.49 1.39 2oasA1 ILE 349 HG13 0.06 -0.02 -0.07 -0.04 1.21 1.13 2oasA1 ILE 349 HG23 0.04 -0.02 -0.32 -0.04 0.93 0.59 2oasA1 ILE 349 HD13 0.05 -0.01 -0.14 -0.04 0.88 0.75 2oasA1 ALA 350 H 0.02 0.88 0.35 -0.55 8.40 9.10 2oasA1 ALA 350 HA 0.02 0.25 0.98 -0.75 4.34 4.84 2oasA1 ALA 350 HB3 0.01 -0.02 -0.06 -0.04 1.41 1.30 2oasA1 LEU 351 H 0.03 0.67 0.32 -0.55 8.37 8.84 2oasA1 LEU 351 HA 0.02 0.03 0.62 -0.75 4.35 4.27 2oasA1 LEU 351 HB2 0.01 0.11 0.16 -0.04 1.64 1.88 2oasA1 LEU 351 HB3 0.02 -0.11 -0.22 -0.04 1.64 1.28 2oasA1 LEU 351 HG 0.02 0.10 -0.36 -0.04 1.64 1.36 2oasA1 LEU 351 HD13 0.01 -0.01 -0.35 -0.04 0.93 0.54 2oasA1 LEU 351 HD23 0.03 0.02 -0.17 -0.04 0.89 0.73 2oasA1 PRO 352 HA 0.03 -0.08 0.59 -0.51 4.44 4.48 2oasA1 PRO 352 HB2 0.03 0.33 0.19 -0.04 2.28 2.79 2oasA1 PRO 352 HB3 0.04 -0.10 0.16 -0.04 2.02 2.08 2oasA1 PRO 352 HG2 0.01 0.03 0.13 -0.04 2.03 2.17 2oasA1 PRO 352 HG3 0.02 -0.06 0.06 -0.04 2.03 2.01 2oasA1 PRO 352 HD2 0.01 0.21 0.27 -0.04 3.68 4.13 2oasA1 PRO 352 HD3 0.02 0.11 0.22 -0.04 3.65 3.95 2oasA1 SER 353 H 0.11 0.01 0.28 -0.55 8.46 8.31 2oasA1 SER 353 HA 0.11 0.18 0.43 -0.75 4.49 4.45 2oasA1 SER 353 HB2 0.30 -0.18 0.23 -0.04 3.95 4.25 2oasA1 SER 353 HB3 0.34 0.11 0.21 -0.04 3.93 4.55 2oasA1 THR 354 H 0.11 -0.02 -0.23 -0.55 8.28 7.59 2oasA1 THR 354 HA -0.01 0.19 1.17 -0.75 4.39 4.99 2oasA1 THR 354 HB 0.07 -0.02 0.11 -0.04 4.32 4.44 2oasA1 THR 354 HG23 0.18 0.00 -0.19 -0.04 1.22 1.18 2oasA1 ALA 355 H 0.00 0.46 0.33 -0.55 8.40 8.64 2oasA1 ALA 355 HA 0.00 0.08 0.56 -0.75 4.34 4.23 2oasA1 ALA 355 HB3 -0.03 0.06 -0.02 -0.04 1.41 1.37 2oasA1 ALA 356 H -0.01 0.24 0.18 -0.55 8.40 8.26 2oasA1 ALA 356 HA 0.00 0.11 0.37 -0.75 4.34 4.07 2oasA1 ALA 356 HB3 0.00 0.05 0.05 -0.04 1.41 1.47 2oasA1 GLY 357 H 0.02 0.05 -0.28 -0.55 8.43 7.68 2oasA1 GLY 357 HA2 0.02 0.02 0.29 -0.51 4.01 3.83 2oasA1 GLY 357 HA3 0.02 0.23 0.67 -0.51 4.01 4.41 2oasA1 GLY 358 H 0.03 0.48 -0.39 -0.55 8.43 8.00 2oasA1 GLY 358 HA2 0.04 -0.10 0.25 -0.51 4.01 3.70 2oasA1 GLY 358 HA3 0.01 0.22 0.83 -0.51 4.01 4.56 2oasA1 ARG 359 H 0.05 0.19 -0.04 -0.55 8.46 8.11 2oasA1 ARG 359 HA 0.14 0.19 0.76 -0.75 4.34 4.68 2oasA1 ARG 359 HB2 0.06 -0.01 -0.03 -0.04 1.90 1.88 2oasA1 ARG 359 HB3 0.05 0.01 0.06 -0.04 1.80 1.88 2oasA1 ARG 359 HG2 0.03 -0.03 0.06 -0.04 1.67 1.69 2oasA1 ARG 359 HG3 0.03 -0.01 0.07 -0.04 1.67 1.72 2oasA1 ARG 359 HD2 0.02 -0.02 -0.02 -0.04 3.22 3.15 2oasA1 ARG 359 HD3 0.02 -0.03 -0.21 -0.04 3.22 2.96 2oasA1 ILE 360 H 0.04 0.23 0.05 -0.55 8.25 8.02 2oasA1 ILE 360 HA -0.09 0.24 0.96 -0.75 4.18 4.54 2oasA1 ILE 360 HB -0.04 -0.14 -0.10 -0.04 1.89 1.57 2oasA1 ILE 360 HG12 -0.01 0.10 -0.12 -0.04 1.49 1.42 2oasA1 ILE 360 HG13 0.01 -0.08 -0.25 -0.04 1.21 0.84 2oasA1 ILE 360 HG23 -0.08 0.03 -0.22 -0.04 0.93 0.62 2oasA1 ILE 360 HD13 -0.02 -0.01 -0.08 -0.04 0.88 0.73 2oasA1 SER 361 H -0.55 0.20 0.06 -0.55 8.46 7.62 2oasA1 SER 361 HA -0.40 0.13 0.76 -0.75 4.49 4.23 2oasA1 SER 361 HB2 -2.29 -0.02 0.03 -0.04 3.95 1.62 2oasA1 SER 361 HB3 -0.66 -0.02 0.07 -0.04 3.93 3.28 2oasA1 ARG 362 H -0.08 0.56 0.21 -0.55 8.46 8.60 2oasA1 ARG 362 HA -0.07 0.07 0.45 -0.75 4.34 4.04 2oasA1 ARG 362 HB2 -0.01 0.09 -0.02 -0.04 1.90 1.92 2oasA1 ARG 362 HB3 -0.02 -0.03 -0.07 -0.04 1.80 1.63 2oasA1 ARG 362 HG2 -0.04 -0.10 -0.15 -0.04 1.67 1.33 2oasA1 ARG 362 HG3 -0.01 -0.06 -0.36 -0.04 1.67 1.20 2oasA1 ARG 362 HD2 -0.00 0.12 0.01 -0.04 3.22 3.31 2oasA1 ARG 362 HD3 -0.03 0.10 0.03 -0.04 3.22 3.28 2oasA1 ILE 363 H -0.07 0.10 -0.22 -0.55 8.25 7.51 2oasA1 ILE 363 HA -0.01 0.34 0.78 -0.75 4.18 4.53 2oasA1 ILE 363 HB -0.00 -0.11 0.10 -0.04 1.89 1.84 2oasA1 ILE 363 HG12 0.01 0.05 -0.20 -0.04 1.49 1.31 2oasA1 ILE 363 HG13 0.02 -0.09 -0.13 -0.04 1.21 0.96 2oasA1 ILE 363 HG23 0.00 0.02 -0.32 -0.04 0.93 0.60 2oasA1 ILE 363 HD13 0.05 0.00 -0.18 -0.04 0.88 0.71 2oasA1 ALA 364 H -0.01 0.41 0.01 -0.55 8.40 8.26 2oasA1 ALA 364 HA -0.03 0.11 0.72 -0.75 4.34 4.39 2oasA1 ALA 364 HB3 -0.01 0.01 -0.06 -0.04 1.41 1.31 2oasA1 SER 365 H 0.07 0.15 0.12 -0.55 8.46 8.25 2oasA1 SER 365 HA 0.18 0.06 0.40 -0.75 4.49 4.38 2oasA1 SER 365 HB2 0.26 0.04 0.01 -0.04 3.95 4.22 2oasA1 SER 365 HB3 0.13 0.03 0.09 -0.04 3.93 4.14 2oasA1 VAL 366 H 0.11 0.19 -0.17 -0.55 8.24 7.82 2oasA1 VAL 366 HA 0.31 0.08 0.67 -0.75 4.13 4.44 2oasA1 VAL 366 HB 0.03 0.04 -0.25 -0.04 2.12 1.90 2oasA1 VAL 366 HG13 0.00 0.01 -0.20 -0.04 0.97 0.74 2oasA1 VAL 366 HG23 0.01 0.04 -0.00 -0.04 0.95 0.96 2oasA1 LEU 367 H 0.13 0.10 0.03 -0.55 8.37 8.09 2oasA1 LEU 367 HA 0.04 0.04 0.37 -0.75 4.35 4.05 2oasA1 LEU 367 HB2 0.08 -0.03 0.05 -0.04 1.64 1.70 2oasA1 LEU 367 HB3 0.04 0.11 -0.12 -0.04 1.64 1.62 2oasA1 LEU 367 HG 0.04 -0.02 -0.10 -0.04 1.64 1.51 2oasA1 LEU 367 HD13 0.06 0.03 -0.22 -0.04 0.93 0.76 2oasA1 LEU 367 HD23 0.06 0.01 -0.25 -0.04 0.89 0.67 2oasA1 SER 368 H 0.01 0.05 0.10 -0.55 8.46 8.07 2oasA1 SER 368 HA 0.00 0.14 0.36 -0.75 4.49 4.23 2oasA1 SER 368 HB2 -0.00 -0.14 0.00 -0.04 3.95 3.77 2oasA1 SER 368 HB3 -0.00 0.09 0.01 -0.04 3.93 3.99 2oasA1 PRO 369 HA -0.00 0.01 0.38 -0.51 4.44 4.32 2oasA1 PRO 369 HB2 -0.00 0.00 0.09 -0.04 2.28 2.33 2oasA1 PRO 369 HB3 -0.01 0.06 0.06 -0.04 2.02 2.09 2oasA1 PRO 369 HG2 -0.01 0.04 0.07 -0.04 2.03 2.10 2oasA1 PRO 369 HG3 -0.01 0.08 0.08 -0.04 2.03 2.14 2oasA1 PRO 369 HD2 -0.00 0.07 0.14 -0.04 3.68 3.85 2oasA1 PRO 369 HD3 -0.01 0.13 0.19 -0.04 3.65 3.92 2oasA1 GLY 370 H 0.01 0.13 0.13 -0.55 8.43 8.15 2oasA1 GLY 370 HA2 0.01 0.01 0.24 -0.51 4.01 3.77 2oasA1 GLY 370 HA3 0.01 0.09 0.38 -0.51 4.01 3.98 2oasA1 ALA 371 H 0.01 0.54 -0.22 -0.55 8.40 8.19 2oasA1 ALA 371 HA 0.01 0.10 0.31 -0.75 4.34 4.01 2oasA1 ALA 371 HB3 0.02 -0.04 -0.04 -0.04 1.41 1.31 2oasA1 GLY 372 H 0.02 0.05 0.05 -0.55 8.43 8.00 2oasA1 GLY 372 HA2 0.05 0.17 0.50 -0.51 4.01 4.22 2oasA1 GLY 372 HA3 0.05 -0.05 0.25 -0.51 4.01 3.75 2oasA1 VAL 373 H 0.05 0.24 0.13 -0.55 8.24 8.11 2oasA1 VAL 373 HA 0.06 0.13 0.59 -0.75 4.13 4.16 2oasA1 VAL 373 HB 0.07 0.01 0.09 -0.04 2.12 2.25 2oasA1 VAL 373 HG13 0.08 0.02 -0.34 -0.04 0.97 0.69 2oasA1 VAL 373 HG23 0.06 0.02 -0.11 -0.04 0.95 0.89 2oasA1 VAL 374 H 0.07 0.42 0.42 -0.55 8.24 8.59 2oasA1 VAL 374 HA 0.10 0.16 0.80 -0.75 4.13 4.43 2oasA1 VAL 374 HB 0.07 -0.00 0.12 -0.04 2.12 2.27 2oasA1 VAL 374 HG13 0.12 0.01 -0.01 -0.04 0.97 1.05 2oasA1 VAL 374 HG23 0.08 0.00 -0.07 -0.04 0.95 0.92 2oasA1 THR 375 H 0.06 0.33 0.23 -0.55 8.28 8.35 2oasA1 THR 375 HA -0.02 0.16 0.84 -0.75 4.39 4.61 2oasA1 THR 375 HB 0.05 -0.04 0.11 -0.04 4.32 4.39 2oasA1 THR 375 HG23 0.03 0.06 -0.13 -0.04 1.22 1.13 2oasA1 THR 376 H 0.33 0.16 0.07 -0.55 8.28 8.29 2oasA1 THR 376 HA 0.11 0.12 0.61 -0.75 4.39 4.47 2oasA1 THR 376 HB 0.09 -0.06 0.10 -0.04 4.32 4.42 2oasA1 THR 376 HG23 0.16 0.04 -0.09 -0.04 1.22 1.28 2oasA1 ARG 377 H 0.06 0.11 0.07 -0.55 8.46 8.15 2oasA1 ARG 377 HA 0.02 0.18 0.15 -0.75 4.34 3.94 2oasA1 ARG 377 HB2 0.01 -0.13 0.09 -0.04 1.90 1.83 2oasA1 ARG 377 HB3 -0.01 0.17 -0.11 -0.04 1.80 1.81 2oasA1 ARG 377 HG2 -0.02 0.08 -0.21 -0.04 1.67 1.47 2oasA1 ARG 377 HG3 0.04 -0.12 -0.02 -0.04 1.67 1.52 2oasA1 ARG 377 HD2 0.04 -0.03 -0.00 -0.04 3.22 3.19 2oasA1 ARG 377 HD3 -0.00 0.08 -0.03 -0.04 3.22 3.22 2oasA1 ALA 378 H -0.01 0.00 -0.14 -0.55 8.40 7.71 2oasA1 ALA 378 HA -0.05 0.13 0.29 -0.75 4.34 3.96 2oasA1 ALA 378 HB3 -0.11 -0.01 0.01 -0.04 1.41 1.26 2oasA1 HIS 379 H 0.06 0.04 -0.68 -0.55 8.41 7.28 2oasA1 HIS 379 HA 0.00 0.10 0.43 -0.75 4.63 4.41 2oasA1 HIS 379 HB2 0.03 0.11 0.05 -0.04 3.26 3.41 2oasA1 HIS 379 HB3 0.04 -0.01 -0.18 -0.04 3.20 3.00 2oasA1 HIS 379 HD2 -0.00 0.05 -0.11 -0.04 6.97 6.87 2oasA1 HIS 379 HE1 0.02 0.02 -0.02 -0.04 7.75 7.72 2oasA1 VAL 380 H 0.11 0.29 -0.07 -0.55 8.24 8.03 2oasA1 VAL 380 HA 0.11 -0.10 0.23 -0.75 4.13 3.62 2oasA1 VAL 380 HB 0.03 0.11 0.03 -0.04 2.12 2.25 2oasA1 VAL 380 HG13 0.05 -0.02 -0.28 -0.04 0.97 0.68 2oasA1 VAL 380 HG23 0.07 0.07 -0.01 -0.04 0.95 1.04 2oasA1 HIS 381 H 0.15 0.04 0.08 -0.55 8.41 8.14 2oasA1 HIS 381 HA -0.08 0.12 0.96 -0.75 4.63 4.88 2oasA1 HIS 381 HB2 0.02 0.14 0.07 -0.04 3.26 3.46 2oasA1 HIS 381 HB3 0.08 -0.05 0.28 -0.04 3.20 3.47 2oasA1 HIS 381 HD2 -0.42 -0.21 -0.01 -0.04 6.97 6.29 2oasA1 HIS 381 HE1 0.12 0.17 0.10 -0.04 7.75 8.09 2oasA1 TYR 382 H 0.14 0.28 0.23 -0.55 8.29 8.38 2oasA1 TYR 382 HA -0.03 0.33 1.18 -0.75 4.56 5.29 2oasA1 TYR 382 HB2 -0.18 0.34 0.34 -0.04 3.06 3.52 2oasA1 TYR 382 HB3 -0.08 -0.09 -0.05 -0.04 2.98 2.71 2oasA1 TYR 382 HD2 -0.45 0.03 -0.07 -0.04 7.15 6.62 2oasA1 TYR 382 HE2 -0.16 0.02 -0.07 -0.04 6.85 6.60 2oasA1 ILE 383 H 0.15 0.44 0.28 -0.55 8.25 8.58 2oasA1 ILE 383 HA 0.06 0.22 0.94 -0.75 4.18 4.65 2oasA1 ILE 383 HB 0.04 0.02 0.07 -0.04 1.89 1.98 2oasA1 ILE 383 HG12 0.05 0.01 0.01 -0.04 1.49 1.52 2oasA1 ILE 383 HG13 0.05 -0.04 -0.52 -0.04 1.21 0.66 2oasA1 ILE 383 HG23 0.03 -0.00 -0.19 -0.04 0.93 0.73 2oasA1 ILE 383 HD13 0.02 -0.00 -0.17 -0.04 0.88 0.69 2oasA1 VAL 384 H 0.03 0.57 0.27 -0.55 8.24 8.56 2oasA1 VAL 384 HA -0.00 0.33 1.28 -0.75 4.13 4.98 2oasA1 VAL 384 HB 0.01 0.05 -0.02 -0.04 2.12 2.12 2oasA1 VAL 384 HG13 -0.04 -0.01 -0.24 -0.04 0.97 0.63 2oasA1 VAL 384 HG23 0.01 -0.02 -0.14 -0.04 0.95 0.76 2oasA1 THR 385 H -0.03 0.80 0.42 -0.55 8.28 8.91 2oasA1 THR 385 HA 0.03 0.25 0.86 -0.75 4.39 4.78 2oasA1 THR 385 HB 0.07 0.12 0.05 -0.04 4.32 4.52 2oasA1 THR 385 HG23 0.15 -0.09 0.19 -0.04 1.22 1.43 2oasA1 GLU 386 H -0.03 0.06 0.23 -0.55 8.60 8.31 2oasA1 GLU 386 HA 0.03 0.07 0.33 -0.75 4.29 3.97 2oasA1 GLU 386 HB2 -0.24 0.04 0.21 -0.04 2.09 2.06 2oasA1 GLU 386 HB3 -0.12 -0.08 0.23 -0.04 1.99 1.98 2oasA1 GLU 386 HG2 -1.14 0.15 -0.11 -0.04 2.34 1.20 2oasA1 GLU 386 HG3 -0.70 0.03 0.00 -0.04 2.34 1.62 2oasA1 TYR 387 H 0.01 0.02 -0.61 -0.55 8.29 7.15 2oasA1 TYR 387 HA 0.04 0.19 0.89 -0.75 4.56 4.93 2oasA1 TYR 387 HB2 -0.01 0.13 -0.00 -0.04 3.06 3.13 2oasA1 TYR 387 HB3 -0.02 0.13 0.16 -0.04 2.98 3.20 2oasA1 TYR 387 HD2 0.01 0.12 -0.09 -0.04 7.15 7.16 2oasA1 TYR 387 HE2 -0.01 -0.08 -0.01 -0.04 6.85 6.71 2oasA1 GLY 388 H -0.35 0.46 -0.08 -0.55 8.43 7.92 2oasA1 GLY 388 HA2 -0.98 0.01 0.29 -0.51 4.01 2.82 2oasA1 GLY 388 HA3 -0.22 0.28 0.97 -0.51 4.01 4.53 2oasA1 ALA 389 H -0.11 0.21 0.19 -0.55 8.40 8.14 2oasA1 ALA 389 HA -0.01 0.28 1.14 -0.75 4.34 4.99 2oasA1 ALA 389 HB3 0.01 -0.01 -0.06 -0.04 1.41 1.32 2oasA1 ALA 390 H 0.09 0.56 0.31 -0.55 8.40 8.82 2oasA1 ALA 390 HA 0.04 0.14 0.87 -0.75 4.34 4.63 2oasA1 ALA 390 HB3 0.01 0.03 -0.18 -0.04 1.41 1.23 2oasA1 ASN 391 H -0.01 0.19 0.09 -0.55 8.53 8.26 2oasA1 ASN 391 HA -0.31 0.25 0.88 -0.75 4.76 4.82 2oasA1 ASN 391 HB2 -0.15 -0.02 0.06 -0.04 2.88 2.73 2oasA1 ASN 391 HB3 -0.09 -0.01 0.15 -0.04 2.79 2.80 2oasA1 ASN 391 HD21 -0.10 0.04 -0.01 -0.04 7.03 6.92 2oasA1 ASN 391 HD22 -0.12 -0.03 -0.01 -0.04 7.74 7.54 2oasA1 LEU 392 H -0.07 0.66 0.24 -0.55 8.37 8.66 2oasA1 LEU 392 HA -0.05 0.12 0.75 -0.75 4.35 4.41 2oasA1 LEU 392 HB2 -0.02 0.10 -0.14 -0.04 1.64 1.54 2oasA1 LEU 392 HB3 -0.04 -0.01 0.01 -0.04 1.64 1.56 2oasA1 LEU 392 HG -0.02 0.08 -0.26 -0.04 1.64 1.40 2oasA1 LEU 392 HD13 -0.02 -0.00 -0.19 -0.04 0.93 0.68 2oasA1 LEU 392 HD23 -0.04 -0.01 -0.32 -0.04 0.89 0.48 2oasA1 LYS 393 H -0.06 0.13 0.05 -0.55 8.42 7.99 2oasA1 LYS 393 HA -0.08 0.12 0.44 -0.75 4.32 4.05 2oasA1 LYS 393 HB2 -0.12 -0.05 0.18 -0.04 1.87 1.84 2oasA1 LYS 393 HB3 -0.16 -0.01 0.02 -0.04 1.79 1.60 2oasA1 LYS 393 HG2 -0.19 0.19 0.20 -0.04 1.46 1.62 2oasA1 LYS 393 HG3 -0.79 -0.00 0.10 -0.04 1.46 0.73 2oasA1 LYS 393 HD2 -0.14 -0.07 0.02 -0.04 1.69 1.46 2oasA1 LYS 393 HD3 -0.18 0.07 0.04 -0.04 1.68 1.57 2oasA1 LYS 393 HE2 -0.19 -0.06 -0.03 -0.04 2.99 2.67 2oasA1 LYS 393 HE3 -0.15 -0.03 -0.00 -0.04 2.99 2.78 2oasA1 GLY 394 H -0.06 0.17 0.22 -0.55 8.43 8.22 2oasA1 GLY 394 HA2 -0.05 -0.04 0.35 -0.51 4.01 3.76 2oasA1 GLY 394 HA3 -0.05 0.06 0.49 -0.51 4.01 4.01 2oasA1 ARG 395 H -0.05 0.65 -0.48 -0.55 8.46 8.03 2oasA1 ARG 395 HA -0.03 0.02 0.61 -0.75 4.34 4.19 2oasA1 ARG 395 HB2 -0.05 0.04 0.01 -0.04 1.90 1.86 2oasA1 ARG 395 HB3 -0.04 -0.19 -0.04 -0.04 1.80 1.49 2oasA1 ARG 395 HG2 -0.05 0.02 -0.61 -0.04 1.67 0.98 2oasA1 ARG 395 HG3 -0.04 0.28 0.04 -0.04 1.67 1.91 2oasA1 ARG 395 HD2 -0.03 -0.08 -0.06 -0.04 3.22 3.01 2oasA1 ARG 395 HD3 -0.03 -0.06 -0.19 -0.04 3.22 2.89 2oasA1 SER 396 H -0.03 0.05 0.16 -0.55 8.46 8.10 2oasA1 SER 396 HA -0.03 0.19 0.45 -0.75 4.49 4.34 2oasA1 SER 396 HB2 -0.02 -0.12 0.21 -0.04 3.95 3.98 2oasA1 SER 396 HB3 -0.02 0.14 0.16 -0.04 3.93 4.17 2oasA1 LEU 397 H -0.04 0.17 0.18 -0.55 8.37 8.14 2oasA1 LEU 397 HA -0.13 0.20 0.49 -0.75 4.35 4.15 2oasA1 LEU 397 HB2 -0.03 -0.02 0.13 -0.04 1.64 1.68 2oasA1 LEU 397 HB3 -0.17 0.04 0.04 -0.04 1.64 1.51 2oasA1 LEU 397 HG -0.02 -0.02 0.11 -0.04 1.64 1.67 2oasA1 LEU 397 HD13 0.05 0.01 0.03 -0.04 0.93 0.98 2oasA1 LEU 397 HD23 -0.12 0.01 0.02 -0.04 0.89 0.76 2oasA1 ARG 398 H -0.03 0.09 -0.07 -0.55 8.46 7.90 2oasA1 ARG 398 HA -0.04 0.13 0.39 -0.75 4.34 4.07 2oasA1 ARG 398 HB2 0.01 0.04 -0.09 -0.04 1.90 1.82 2oasA1 ARG 398 HB3 0.02 0.02 0.03 -0.04 1.80 1.82 2oasA1 ARG 398 HG2 -0.00 -0.09 0.04 -0.04 1.67 1.57 2oasA1 ARG 398 HG3 -0.01 0.04 -0.18 -0.04 1.67 1.48 2oasA1 ARG 398 HD2 0.01 0.09 -0.02 -0.04 3.22 3.26 2oasA1 ARG 398 HD3 0.02 0.01 0.03 -0.04 3.22 3.24 2oasA1 GLU 399 H -0.04 0.01 -0.39 -0.55 8.60 7.64 2oasA1 GLU 399 HA -0.02 0.06 0.41 -0.75 4.29 3.98 2oasA1 GLU 399 HB2 -0.03 0.05 0.05 -0.04 2.09 2.12 2oasA1 GLU 399 HB3 -0.03 0.11 -0.00 -0.04 1.99 2.02 2oasA1 GLU 399 HG2 -0.02 0.05 0.02 -0.04 2.34 2.35 2oasA1 GLU 399 HG3 -0.02 -0.11 0.03 -0.04 2.34 2.20 2oasA1 ARG 400 H -0.07 0.51 -0.26 -0.55 8.46 8.10 2oasA1 ARG 400 HA -0.06 0.04 0.30 -0.75 4.34 3.87 2oasA1 ARG 400 HB2 -0.14 0.02 0.16 -0.04 1.90 1.91 2oasA1 ARG 400 HB3 -0.11 -0.03 -0.15 -0.04 1.80 1.47 2oasA1 ARG 400 HG2 -0.06 -0.06 -0.02 -0.04 1.67 1.48 2oasA1 ARG 400 HG3 -0.06 0.01 -0.15 -0.04 1.67 1.43 2oasA1 ARG 400 HD2 -0.07 0.27 -0.14 -0.04 3.22 3.25 2oasA1 ARG 400 HD3 -0.11 -0.20 -0.10 -0.04 3.22 2.76 2oasA1 ALA 401 H -0.13 0.54 -0.06 -0.55 8.40 8.20 2oasA1 ALA 401 HA -0.12 0.07 0.43 -0.75 4.34 3.97 2oasA1 ALA 401 HB3 -0.15 -0.01 0.09 -0.04 1.41 1.30 2oasA1 GLN 402 H -0.04 0.49 -0.33 -0.55 8.47 8.05 2oasA1 GLN 402 HA -0.01 -0.03 0.34 -0.75 4.36 3.91 2oasA1 GLN 402 HB2 -0.01 -0.01 0.11 -0.04 2.15 2.20 2oasA1 GLN 402 HB3 -0.02 0.13 0.15 -0.04 2.02 2.24 2oasA1 GLN 402 HG2 -0.01 -0.04 -0.02 -0.04 2.40 2.29 2oasA1 GLN 402 HG3 -0.01 0.04 -0.23 -0.04 2.39 2.15 2oasA1 GLN 402 HE21 -0.00 -0.03 -0.03 -0.04 6.97 6.87 2oasA1 GLN 402 HE22 -0.00 0.03 -0.06 -0.04 7.69 7.61 2oasA1 ALA 403 H -0.03 0.59 -0.14 -0.55 8.40 8.27 2oasA1 ALA 403 HA -0.01 0.00 0.33 -0.75 4.34 3.91 2oasA1 ALA 403 HB3 -0.01 0.01 0.05 -0.04 1.41 1.41 2oasA1 LEU 404 H -0.03 0.67 -0.27 -0.55 8.37 8.19 2oasA1 LEU 404 HA -0.00 0.02 0.33 -0.75 4.35 3.95 2oasA1 LEU 404 HB2 -0.04 0.13 0.05 -0.04 1.64 1.74 2oasA1 LEU 404 HB3 -0.02 -0.11 -0.20 -0.04 1.64 1.28 2oasA1 LEU 404 HG -0.04 0.14 -0.16 -0.04 1.64 1.54 2oasA1 LEU 404 HD13 -0.06 -0.01 -0.34 -0.04 0.93 0.47 2oasA1 LEU 404 HD23 -0.00 -0.03 -0.18 -0.04 0.89 0.64 2oasA1 ILE 405 H -0.01 0.68 -0.11 -0.55 8.25 8.25 2oasA1 ILE 405 HA 0.02 -0.05 0.32 -0.75 4.18 3.72 2oasA1 ILE 405 HB 0.02 -0.11 0.07 -0.04 1.89 1.83 2oasA1 ILE 405 HG12 -0.00 0.36 0.17 -0.04 1.49 1.98 2oasA1 ILE 405 HG13 0.00 0.00 -0.28 -0.04 1.21 0.89 2oasA1 ILE 405 HG23 0.01 0.09 -0.06 -0.04 0.93 0.93 2oasA1 ILE 405 HD13 0.01 -0.05 -0.05 -0.04 0.88 0.75 2oasA1 ASN 406 H -0.00 0.34 -0.71 -0.55 8.53 7.61 2oasA1 ASN 406 HA -0.02 0.03 0.52 -0.75 4.76 4.54 2oasA1 ASN 406 HB2 -0.00 0.22 0.07 -0.04 2.88 3.12 2oasA1 ASN 406 HB3 -0.00 -0.04 0.05 -0.04 2.79 2.75 2oasA1 ASN 406 HD21 -0.00 -0.12 -0.11 -0.04 7.03 6.75 2oasA1 ASN 406 HD22 -0.00 -0.01 -0.09 -0.04 7.74 7.60 2oasA1 ILE 407 H 0.02 0.44 -0.33 -0.55 8.25 7.83 2oasA1 ILE 407 HA 0.09 0.23 0.73 -0.75 4.18 4.47 2oasA1 ILE 407 HB 0.06 -0.20 -0.12 -0.04 1.89 1.59 2oasA1 ILE 407 HG12 0.02 0.20 -0.02 -0.04 1.49 1.66 2oasA1 ILE 407 HG13 0.05 -0.09 -0.37 -0.04 1.21 0.76 2oasA1 ILE 407 HG23 -0.00 0.04 -0.55 -0.04 0.93 0.38 2oasA1 ILE 407 HD13 0.02 -0.05 -0.26 -0.04 0.88 0.56 2oasA1 ALA 408 H 0.02 0.21 -0.34 -0.55 8.40 7.75 2oasA1 ALA 408 HA 0.12 -0.01 0.56 -0.75 4.34 4.26 2oasA1 ALA 408 HB3 0.07 0.03 -0.00 -0.04 1.41 1.46 2oasA1 HIS 409 H 0.29 0.08 0.12 -0.55 8.41 8.35 2oasA1 HIS 409 HA -0.32 0.15 0.38 -0.75 4.63 4.09 2oasA1 HIS 409 HB2 0.29 -0.04 0.05 -0.04 3.26 3.52 2oasA1 HIS 409 HB3 0.44 -0.03 0.05 -0.04 3.20 3.61 2oasA1 HIS 409 HD2 0.29 -0.07 0.01 -0.04 6.97 7.16 2oasA1 HIS 409 HE1 -0.03 0.05 0.00 -0.04 7.75 7.73 2oasA1 PRO 410 HA -0.10 0.09 0.44 -0.51 4.44 4.36 2oasA1 PRO 410 HB2 -0.13 0.01 0.04 -0.04 2.28 2.16 2oasA1 PRO 410 HB3 -0.23 0.12 0.15 -0.04 2.02 2.02 2oasA1 PRO 410 HG2 -0.40 -0.03 0.07 -0.04 2.03 1.62 2oasA1 PRO 410 HG3 -0.38 0.08 0.08 -0.04 2.03 1.77 2oasA1 PRO 410 HD2 -1.34 -0.01 0.23 -0.04 3.68 2.51 2oasA1 PRO 410 HD3 -1.08 0.29 0.19 -0.04 3.65 3.00 2oasA1 ASP 411 H 0.56 0.08 -0.44 -0.55 8.40 8.06 2oasA1 ASP 411 HA -0.12 0.11 0.47 -0.75 4.63 4.34 2oasA1 ASP 411 HB2 -0.57 0.00 -0.01 -0.04 2.71 2.09 2oasA1 ASP 411 HB3 -0.56 0.03 0.09 -0.04 2.70 2.22 2oasA1 PHE 412 H 0.13 0.60 -0.32 -0.55 8.34 8.20 2oasA1 PHE 412 HA 0.02 0.20 1.03 -0.75 4.62 5.12 2oasA1 PHE 412 HB2 0.04 0.11 -0.01 -0.04 3.15 3.25 2oasA1 PHE 412 HB3 0.03 -0.07 0.13 -0.04 3.06 3.11 2oasA1 PHE 412 HD2 0.04 -0.00 -0.02 -0.04 7.28 7.25 2oasA1 PHE 412 HE2 -0.08 0.03 -0.12 -0.04 7.38 7.17 2oasA1 PHE 412 HZ -0.06 0.06 -0.46 -0.04 7.32 6.82 2oasA1 ARG 413 H 0.06 0.26 -0.09 -0.55 8.46 8.15 2oasA1 ARG 413 HA 0.06 0.10 0.36 -0.75 4.34 4.11 2oasA1 ARG 413 HB2 -0.01 0.10 0.18 -0.04 1.90 2.13 2oasA1 ARG 413 HB3 0.01 -0.01 -0.06 -0.04 1.80 1.70 2oasA1 ARG 413 HG2 -0.04 -0.01 0.02 -0.04 1.67 1.60 2oasA1 ARG 413 HG3 -0.00 0.05 0.03 -0.04 1.67 1.70 2oasA1 ARG 413 HD2 -0.01 0.24 -0.07 -0.04 3.22 3.34 2oasA1 ARG 413 HD3 0.01 -0.17 -0.21 -0.04 3.22 2.81 2oasA1 GLU 414 H 0.02 0.19 -0.18 -0.55 8.60 8.09 2oasA1 GLU 414 HA 0.03 0.08 0.36 -0.75 4.29 4.00 2oasA1 GLU 414 HB2 0.01 0.05 0.06 -0.04 2.09 2.17 2oasA1 GLU 414 HB3 0.01 0.02 0.05 -0.04 1.99 2.03 2oasA1 GLU 414 HG2 0.04 0.01 -0.50 -0.04 2.34 1.84 2oasA1 GLU 414 HG3 0.02 0.01 -0.05 -0.04 2.34 2.28 2oasA1 GLN 415 H 0.08 0.14 -0.21 -0.55 8.47 7.92 2oasA1 GLN 415 HA 0.07 0.03 0.42 -0.75 4.36 4.13 2oasA1 GLN 415 HB2 0.16 0.07 0.17 -0.04 2.15 2.52 2oasA1 GLN 415 HB3 0.11 -0.01 -0.02 -0.04 2.02 2.06 2oasA1 GLN 415 HG2 0.08 -0.00 0.06 -0.04 2.40 2.49 2oasA1 GLN 415 HG3 0.12 0.03 0.06 -0.04 2.39 2.56 2oasA1 GLN 415 HE21 0.04 0.01 0.01 -0.04 6.97 6.99 2oasA1 GLN 415 HE22 0.04 0.01 0.01 -0.04 7.69 7.71 2oasA1 LEU 416 H 0.11 0.69 -0.04 -0.55 8.37 8.58 2oasA1 LEU 416 HA 0.10 -0.09 0.35 -0.75 4.35 3.96 2oasA1 LEU 416 HB2 0.08 0.12 0.13 -0.04 1.64 1.92 2oasA1 LEU 416 HB3 0.06 -0.02 -0.07 -0.04 1.64 1.57 2oasA1 LEU 416 HG 0.12 0.05 0.04 -0.04 1.64 1.81 2oasA1 LEU 416 HD13 0.06 0.01 -0.13 -0.04 0.93 0.83 2oasA1 LEU 416 HD23 0.05 0.03 -0.10 -0.04 0.89 0.82 2oasA1 SER 417 H 0.06 0.83 -0.07 -0.55 8.46 8.74 2oasA1 SER 417 HA 0.06 0.00 0.39 -0.75 4.49 4.19 2oasA1 SER 417 HB2 0.03 0.02 0.08 -0.04 3.95 4.04 2oasA1 SER 417 HB3 0.04 0.09 0.14 -0.04 3.93 4.16 2oasA1 ARG 418 H 0.08 0.54 -0.19 -0.55 8.46 8.34 2oasA1 ARG 418 HA 0.11 0.02 0.49 -0.75 4.34 4.20 2oasA1 ARG 418 HB2 0.08 0.18 0.30 -0.04 1.90 2.41 2oasA1 ARG 418 HB3 0.08 -0.07 0.04 -0.04 1.80 1.81 2oasA1 ARG 418 HG2 0.07 -0.04 0.06 -0.04 1.67 1.71 2oasA1 ARG 418 HG3 0.06 0.03 0.06 -0.04 1.67 1.78 2oasA1 ARG 418 HD2 0.05 -0.00 -0.08 -0.04 3.22 3.14 2oasA1 ARG 418 HD3 0.05 -0.03 0.01 -0.04 3.22 3.21 2oasA1 ASP 419 H 0.11 0.65 0.09 -0.55 8.40 8.70 2oasA1 ASP 419 HA 0.09 -0.05 0.43 -0.75 4.63 4.35 2oasA1 ASP 419 HB2 0.14 0.11 0.10 -0.04 2.71 3.01 2oasA1 ASP 419 HB3 0.11 -0.06 0.11 -0.04 2.70 2.82 2oasA1 ALA 420 H 0.16 0.40 -0.79 -0.55 8.40 7.61 2oasA1 ALA 420 HA 0.27 -0.01 0.44 -0.75 4.34 4.29 2oasA1 ALA 420 HB3 0.11 0.08 0.09 -0.04 1.41 1.65 2oasA1 PHE 421 H 0.26 0.49 -0.06 -0.55 8.34 8.48 2oasA1 PHE 421 HA 0.09 0.08 1.01 -0.75 4.62 5.05 2oasA1 PHE 421 HB2 0.05 0.12 0.13 -0.04 3.15 3.41 2oasA1 PHE 421 HB3 0.05 0.06 0.20 -0.04 3.06 3.33 2oasA1 PHE 421 HD2 0.04 0.04 -0.21 -0.04 7.28 7.11 2oasA1 PHE 421 HE2 0.02 -0.01 -0.08 -0.04 7.38 7.26 2oasA1 PHE 421 HZ 0.02 -0.02 -0.05 -0.04 7.32 7.23 2oasA1 GLU 422 H 0.13 0.51 0.22 -0.55 8.60 8.92 2oasA1 GLU 422 HA -0.27 0.13 0.54 -0.75 4.29 3.93 2oasA1 GLU 422 HB2 0.06 -0.01 0.02 -0.04 2.09 2.12 2oasA1 GLU 422 HB3 -0.01 -0.00 0.00 -0.04 1.99 1.94 2oasA1 GLU 422 HG2 0.05 0.01 0.03 -0.04 2.34 2.39 2oasA1 GLU 422 HG3 0.24 0.00 0.01 -0.04 2.34 2.55 2oasA1 VAL 423 H 0.02 0.33 -0.12 -0.55 8.24 7.92 2oasA1 VAL 423 HA -0.18 0.21 0.90 -0.75 4.13 4.30 2oasA1 VAL 423 HB -0.07 0.22 0.14 -0.04 2.12 2.37 2oasA1 VAL 423 HG13 -0.51 -0.02 -0.12 -0.04 0.97 0.28 2oasA1 VAL 423 HG23 -0.04 -0.05 -0.03 -0.04 0.95 0.78 2oasA1 TRP 424 H 0.19 0.23 -0.06 -0.55 7.97 7.79 2oasA1 TRP 424 HA -0.03 0.16 0.74 -0.75 4.62 4.74 2oasA1 TRP 424 HB2 0.00 0.20 0.12 -0.04 3.23 3.51 2oasA1 TRP 424 HB3 -0.00 -0.05 0.05 -0.04 3.23 3.19 2oasA1 TRP 424 HD1 0.01 0.12 -0.00 -0.04 7.22 7.30 2oasA1 TRP 424 HE1 0.00 0.34 0.07 -0.04 10.20 10.57 2oasA1 TRP 424 HE3 -0.00 0.02 0.02 -0.04 7.59 7.59 2oasA1 TRP 424 HZ2 0.00 -0.04 0.10 -0.04 7.44 7.46 2oasA1 TRP 424 HZ3 0.00 -0.01 -0.00 -0.04 7.13 7.08 2oasA1 TRP 424 HH2 0.00 -0.07 0.00 -0.04 7.19 7.09 2oasA1 GLY 425 H -0.03 0.06 -0.37 -0.55 8.43 7.54 2oasA1 GLY 425 HA2 -0.31 0.24 0.34 -0.51 4.01 3.77 2oasA1 GLY 425 HA3 -0.06 0.01 0.41 -0.51 4.01 3.86 2oasA1 LEU 426 H 0.19 0.47 0.21 -0.55 8.37 8.69 2oasA1 LEU 426 HA 0.14 0.15 0.90 -0.75 4.35 4.77 2oasA1 LEU 426 HB2 0.13 0.11 -0.00 -0.04 1.64 1.83 2oasA1 LEU 426 HB3 0.08 -0.12 -0.07 -0.04 1.64 1.48 2oasA1 LEU 426 HG 0.24 0.03 -0.28 -0.04 1.64 1.58 2oasA1 LEU 426 HD13 -0.07 -0.04 -0.21 -0.04 0.93 0.57 2oasA1 LEU 426 HD23 0.09 -0.00 -0.12 -0.04 0.89 0.81 2oasA1 ASN 427 H 0.12 0.19 0.08 -0.55 8.53 8.37 2oasA1 ASN 427 HA 0.11 0.14 0.92 -0.75 4.76 5.18 2oasA1 ASN 427 HB2 -0.01 0.07 0.01 -0.04 2.88 2.91 2oasA1 ASN 427 HB3 0.12 0.02 -0.08 -0.04 2.79 2.80 2oasA1 ASN 427 HD21 0.08 -0.01 0.04 -0.04 7.03 7.09 2oasA1 ASN 427 HD22 0.16 0.05 -0.05 -0.04 7.74 7.86 2oasA1 LEU 428 H 0.04 0.15 -0.07 -0.55 8.37 7.95 2oasA1 LEU 428 HA 0.01 0.13 0.34 -0.75 4.35 4.08 2oasA1 LEU 428 HB2 0.01 0.02 0.04 -0.04 1.64 1.67 2oasA1 LEU 428 HB3 0.01 0.05 0.02 -0.04 1.64 1.68 2oasA1 LEU 428 HG 0.06 0.03 -0.06 -0.04 1.64 1.62 2oasA1 LEU 428 HD13 0.02 0.01 -0.05 -0.04 0.93 0.87 2oasA1 LEU 428 HD23 0.02 0.01 -0.18 -0.04 0.89 0.71