============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 12 1.000 40.721 26.160 29.349 -99.200 -91.000 HIS 25 0.900 44.466 41.166 30.901 -99.200 -91.000 HIS 36 0.900 47.118 37.842 21.492 -99.200 -91.000 TRP 58 1.040 34.174 35.261 23.478 -99.200 -91.000 TRP6 58 1.020 35.728 33.519 23.106 -99.200 -91.000 TRP 69 1.040 25.842 47.358 18.992 -99.200 -91.000 TRP6 69 1.020 25.817 48.665 17.021 -99.200 -91.000 HIS 83 0.900 35.920 39.050 6.598 -99.200 -91.000 HIS 102 0.900 26.147 22.772 28.790 -99.200 -91.000 PHE 116 1.000 29.750 24.469 16.177 -99.200 -91.000 HIS 123 0.900 38.724 45.008 30.685 -99.200 -91.000 HIS 126 0.900 38.995 48.558 29.406 -99.200 -91.000 HIS 131 0.900 28.271 51.305 32.209 -99.200 -91.000 HIS 138 0.900 6.608 47.040 36.146 -99.200 -91.000 TYR 142 0.840 5.189 39.156 38.720 -99.200 -91.000 HIS 161 0.900 22.805 24.355 52.853 -99.200 -91.000 PHE 171 1.000 35.998 26.704 49.430 -99.200 -91.000 HIS 176 0.900 43.518 34.231 47.730 -99.200 -91.000 HIS 180 0.900 52.433 31.197 45.254 -99.200 -91.000 PHE 188 1.000 46.587 27.550 37.271 -99.200 -91.000 TYR 198 0.840 50.237 48.606 28.100 -99.200 -91.000 PHE 203 1.000 58.650 51.136 32.437 -99.200 -91.000 PHE 207 1.000 51.644 41.829 33.175 -99.200 -91.000 TYR 209 0.840 52.085 37.489 36.971 -99.200 -91.000 PHE 229 1.000 28.213 40.929 49.228 -99.200 -91.000 TYR 285 0.840 20.858 23.630 47.485 -99.200 -91.000 PHE 307 1.000 41.165 14.346 39.917 -99.200 -91.000 PHE 314 1.000 29.018 35.580 46.631 -99.200 -91.000 HIS 338 0.900 45.388 22.460 39.410 -99.200 -91.000 HIS 346 0.900 32.233 34.336 38.360 -99.200 -91.000 PHE 348 1.000 29.672 39.163 36.881 -99.200 -91.000 PHE 370 1.000 33.453 8.211 33.826 -99.200 -91.000 PHE 387 1.000 33.952 19.065 30.177 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1wdlC1 SER 2 HA 0.00 -0.07 0.17 -0.75 4.49 3.84 1wdlC1 SER 2 HB2 0.01 -0.03 0.04 -0.04 3.95 3.92 1wdlC1 SER 2 HB3 0.01 -0.01 -0.06 -0.04 3.93 3.83 1wdlC1 LEU 3 H 0.00 0.09 0.09 -0.55 8.37 8.02 1wdlC1 LEU 3 HA 0.00 0.23 0.89 -0.75 4.35 4.72 1wdlC1 LEU 3 HB2 0.01 -0.01 -0.09 -0.04 1.64 1.51 1wdlC1 LEU 3 HB3 0.01 0.04 -0.05 -0.04 1.64 1.59 1wdlC1 LEU 3 HG 0.01 -0.02 -0.00 -0.04 1.64 1.58 1wdlC1 LEU 3 HD13 0.01 -0.01 -0.25 -0.04 0.93 0.64 1wdlC1 LEU 3 HD23 0.01 -0.00 0.01 -0.04 0.89 0.86 1wdlC1 ASN 4 H 0.00 0.25 0.13 -0.55 8.53 8.37 1wdlC1 ASN 4 HA 0.00 0.21 0.84 -0.75 4.76 5.06 1wdlC1 ASN 4 HB2 -0.00 0.04 0.11 -0.04 2.88 2.98 1wdlC1 ASN 4 HB3 -0.00 -0.07 -0.02 -0.04 2.79 2.66 1wdlC1 ASN 4 HD21 0.00 0.01 -0.02 -0.04 7.03 6.97 1wdlC1 ASN 4 HD22 -0.00 0.01 -0.02 -0.04 7.74 7.69 1wdlC1 PRO 5 HA 0.01 -0.02 0.42 -0.51 4.44 4.34 1wdlC1 PRO 5 HB2 0.01 0.01 0.14 -0.04 2.28 2.40 1wdlC1 PRO 5 HB3 0.01 0.02 0.09 -0.04 2.02 2.11 1wdlC1 PRO 5 HG2 0.01 0.06 0.09 -0.04 2.03 2.16 1wdlC1 PRO 5 HG3 0.01 0.05 0.08 -0.04 2.03 2.13 1wdlC1 PRO 5 HD2 0.00 0.11 0.20 -0.04 3.68 3.96 1wdlC1 PRO 5 HD3 0.01 0.28 0.17 -0.04 3.65 4.06 1wdlC1 ARG 6 H 0.01 0.14 -0.15 -0.55 8.46 7.89 1wdlC1 ARG 6 HA 0.01 0.10 0.64 -0.75 4.34 4.34 1wdlC1 ARG 6 HB2 -0.00 -0.01 0.15 -0.04 1.90 1.99 1wdlC1 ARG 6 HB3 0.00 0.12 0.28 -0.04 1.80 2.15 1wdlC1 ARG 6 HG2 0.01 -0.17 0.05 -0.04 1.67 1.51 1wdlC1 ARG 6 HG3 0.01 0.10 0.08 -0.04 1.67 1.82 1wdlC1 ARG 6 HD2 0.02 -0.04 0.00 -0.04 3.22 3.16 1wdlC1 ARG 6 HD3 0.02 0.22 0.08 -0.04 3.22 3.49 1wdlC1 ASP 7 H 0.00 0.43 -0.36 -0.55 8.40 7.93 1wdlC1 ASP 7 HA -0.01 0.12 0.69 -0.75 4.63 4.67 1wdlC1 ASP 7 HB2 0.00 0.17 0.24 -0.04 2.71 3.08 1wdlC1 ASP 7 HB3 -0.00 0.05 -0.01 -0.04 2.70 2.69 1wdlC1 VAL 8 H -0.03 0.18 0.21 -0.55 8.24 8.06 1wdlC1 VAL 8 HA -0.00 0.10 0.49 -0.75 4.13 3.96 1wdlC1 VAL 8 HB -0.05 -0.04 0.17 -0.04 2.12 2.16 1wdlC1 VAL 8 HG13 -0.02 -0.02 -0.14 -0.04 0.97 0.74 1wdlC1 VAL 8 HG23 -0.06 0.00 0.07 -0.04 0.95 0.91 1wdlC1 VAL 9 H 0.03 0.64 0.38 -0.55 8.24 8.74 1wdlC1 VAL 9 HA 0.04 0.19 1.17 -0.75 4.13 4.77 1wdlC1 VAL 9 HB 0.04 0.04 0.01 -0.04 2.12 2.17 1wdlC1 VAL 9 HG13 0.04 0.03 -0.15 -0.04 0.97 0.85 1wdlC1 VAL 9 HG23 0.02 0.03 -0.18 -0.04 0.95 0.78 1wdlC1 ILE 10 H 0.09 0.41 0.14 -0.55 8.25 8.35 1wdlC1 ILE 10 HA 0.10 0.10 0.76 -0.75 4.18 4.39 1wdlC1 ILE 10 HB 0.10 -0.04 0.07 -0.04 1.89 1.98 1wdlC1 ILE 10 HG12 0.30 -0.02 -0.14 -0.04 1.49 1.58 1wdlC1 ILE 10 HG13 0.17 0.01 -0.13 -0.04 1.21 1.22 1wdlC1 ILE 10 HG23 0.07 0.01 -0.22 -0.04 0.93 0.75 1wdlC1 ILE 10 HD13 0.23 -0.04 -0.24 -0.04 0.88 0.79 1wdlC1 VAL 11 H 0.08 0.39 0.32 -0.55 8.24 8.48 1wdlC1 VAL 11 HA 0.05 0.06 0.48 -0.75 4.13 3.97 1wdlC1 VAL 11 HB 0.07 -0.06 0.09 -0.04 2.12 2.18 1wdlC1 VAL 11 HG13 0.04 0.02 -0.17 -0.04 0.97 0.81 1wdlC1 VAL 11 HG23 0.06 0.01 -0.08 -0.04 0.95 0.90 1wdlC1 ASP 12 H 0.09 0.20 0.20 -0.55 8.40 8.34 1wdlC1 ASP 12 HA 0.08 0.25 0.72 -0.75 4.63 4.92 1wdlC1 ASP 12 HB2 0.05 0.06 -0.25 -0.04 2.71 2.53 1wdlC1 ASP 12 HB3 0.06 -0.10 -0.06 -0.04 2.70 2.55 1wdlC1 PHE 13 H 0.12 0.36 0.12 -0.55 8.34 8.38 1wdlC1 PHE 13 HA 0.02 0.12 0.74 -0.75 4.62 4.75 1wdlC1 PHE 13 HB2 -0.02 0.03 -0.09 -0.04 3.15 3.04 1wdlC1 PHE 13 HB3 -0.02 0.02 -0.02 -0.04 3.06 3.00 1wdlC1 PHE 13 HD2 -0.01 0.11 -0.05 -0.04 7.28 7.29 1wdlC1 PHE 13 HE2 -0.04 -0.08 -0.27 -0.04 7.38 6.95 1wdlC1 PHE 13 HZ -0.05 -0.07 -0.05 -0.04 7.32 7.10 1wdlC1 GLY 14 H -0.44 0.40 0.17 -0.55 8.43 8.02 1wdlC1 GLY 14 HA2 -0.47 0.41 0.96 -0.51 4.01 4.40 1wdlC1 GLY 14 HA3 -0.24 0.01 0.32 -0.51 4.01 3.59 1wdlC1 ARG 15 H -0.40 0.79 0.31 -0.55 8.46 8.61 1wdlC1 ARG 15 HA -0.20 0.08 1.15 -0.75 4.34 4.62 1wdlC1 ARG 15 HB2 -0.10 -0.01 0.17 -0.04 1.90 1.91 1wdlC1 ARG 15 HB3 -0.27 -0.10 -0.03 -0.04 1.80 1.36 1wdlC1 ARG 15 HG2 -0.22 0.08 -0.24 -0.04 1.67 1.25 1wdlC1 ARG 15 HG3 -0.15 0.10 -0.31 -0.04 1.67 1.28 1wdlC1 ARG 15 HD2 -0.03 -0.06 -0.10 -0.04 3.22 2.99 1wdlC1 ARG 15 HD3 0.19 -0.02 -0.11 -0.04 3.22 3.24 1wdlC1 THR 16 H -0.08 0.41 0.33 -0.55 8.28 8.39 1wdlC1 THR 16 HA -0.02 0.32 0.76 -0.75 4.39 4.69 1wdlC1 THR 16 HB -0.01 0.10 0.12 -0.04 4.32 4.49 1wdlC1 THR 16 HG23 -0.00 0.05 0.02 -0.04 1.22 1.24 1wdlC1 PRO 17 HA -0.07 0.03 0.32 -0.51 4.44 4.22 1wdlC1 PRO 17 HB2 -0.09 -0.12 0.02 -0.04 2.28 2.05 1wdlC1 PRO 17 HB3 -0.13 0.26 -0.03 -0.04 2.02 2.08 1wdlC1 PRO 17 HG2 0.01 0.18 -0.01 -0.04 2.03 2.17 1wdlC1 PRO 17 HG3 -0.02 0.06 -0.18 -0.04 2.03 1.85 1wdlC1 PRO 17 HD2 0.11 0.00 0.18 -0.04 3.68 3.93 1wdlC1 PRO 17 HD3 0.03 0.42 0.19 -0.04 3.65 4.24 1wdlC1 MET 18 H -0.07 0.14 0.11 -0.55 8.47 8.10 1wdlC1 MET 18 HA -0.04 0.10 0.47 -0.75 4.52 4.30 1wdlC1 MET 18 HB2 -0.03 -0.13 0.17 -0.04 2.15 2.12 1wdlC1 MET 18 HB3 -0.03 -0.00 -0.07 -0.04 2.03 1.88 1wdlC1 MET 18 HG2 -0.09 0.07 0.04 -0.04 2.63 2.61 1wdlC1 MET 18 HG3 -0.06 0.09 0.06 -0.04 2.56 2.60 1wdlC1 MET 18 HE3 -0.08 0.02 -0.16 -0.04 2.10 1.84 1wdlC1 GLY 19 H 0.05 0.42 0.32 -0.55 8.43 8.67 1wdlC1 GLY 19 HA2 -0.10 0.03 0.99 -0.51 4.01 4.42 1wdlC1 GLY 19 HA3 -0.12 -0.01 0.37 -0.51 4.01 3.73 1wdlC1 ARG 20 H -0.06 0.12 0.15 -0.55 8.46 8.11 1wdlC1 ARG 20 HA -0.03 0.17 0.42 -0.75 4.34 4.14 1wdlC1 ARG 20 HB2 -0.03 -0.00 -0.02 -0.04 1.90 1.80 1wdlC1 ARG 20 HB3 -0.02 -0.06 -0.01 -0.04 1.80 1.68 1wdlC1 ARG 20 HG2 0.01 0.04 -0.04 -0.04 1.67 1.64 1wdlC1 ARG 20 HG3 0.00 -0.06 -0.12 -0.04 1.67 1.45 1wdlC1 ARG 20 HD2 0.01 -0.03 -0.04 -0.04 3.22 3.13 1wdlC1 ARG 20 HD3 0.02 0.16 -0.08 -0.04 3.22 3.27 1wdlC1 SER 21 H -0.04 0.31 0.23 -0.55 8.46 8.41 1wdlC1 SER 21 HA -0.08 0.09 0.67 -0.75 4.49 4.42 1wdlC1 SER 21 HB2 -0.04 0.05 0.01 -0.04 3.95 3.94 1wdlC1 SER 21 HB3 -0.04 0.03 -0.18 -0.04 3.93 3.69 1wdlC1 LYS 22 H -0.01 0.08 0.02 -0.55 8.42 7.95 1wdlC1 LYS 22 HA 0.01 0.15 0.50 -0.75 4.32 4.22 1wdlC1 GLY 23 H 0.01 0.54 0.06 -0.55 8.43 8.50 1wdlC1 GLY 23 HA2 0.02 0.04 0.29 -0.51 4.01 3.85 1wdlC1 GLY 23 HA3 0.01 0.14 0.59 -0.51 4.01 4.24 1wdlC1 GLY 24 H -0.02 0.03 -0.46 -0.55 8.43 7.43 1wdlC1 GLY 24 HA2 -0.07 0.10 0.28 -0.51 4.01 3.81 1wdlC1 GLY 24 HA3 -0.09 0.26 0.30 -0.51 4.01 3.97 1wdlC1 MET 25 H -0.32 0.05 0.17 -0.55 8.47 7.82 1wdlC1 MET 25 HA -0.29 0.42 0.59 -0.75 4.52 4.48 1wdlC1 MET 25 HB2 -1.41 0.04 0.10 -0.04 2.15 0.84 1wdlC1 MET 25 HB3 -1.25 0.01 0.08 -0.04 2.03 0.83 1wdlC1 MET 25 HG2 -0.53 -0.22 0.15 -0.04 2.63 1.99 1wdlC1 MET 25 HG3 -1.21 0.08 -0.10 -0.04 2.56 1.30 1wdlC1 MET 25 HE3 -0.43 0.06 -0.04 -0.04 2.10 1.64 1wdlC1 HIS 26 H -0.15 0.06 -0.28 -0.55 8.41 7.49 1wdlC1 HIS 26 HA 0.01 0.29 0.92 -0.75 4.63 5.10 1wdlC1 HIS 26 HB2 -0.24 -0.04 0.02 -0.04 3.26 2.96 1wdlC1 HIS 26 HB3 -0.07 0.00 0.13 -0.04 3.20 3.22 1wdlC1 HIS 26 HD2 -0.20 -0.09 0.11 -0.04 6.97 6.75 1wdlC1 HIS 26 HE1 -0.05 0.09 -0.02 -0.04 7.75 7.72 1wdlC1 ARG 27 H 0.02 0.37 -0.37 -0.55 8.46 7.94 1wdlC1 ARG 27 HA 0.14 -0.02 0.30 -0.75 4.34 4.01 1wdlC1 ARG 27 HB2 0.08 0.00 0.08 -0.04 1.90 2.03 1wdlC1 ARG 27 HB3 0.04 -0.12 0.01 -0.04 1.80 1.69 1wdlC1 ARG 27 HG2 0.03 0.29 -0.08 -0.04 1.67 1.86 1wdlC1 ARG 27 HG3 0.01 -0.01 -0.29 -0.04 1.67 1.35 1wdlC1 ARG 27 HD2 0.01 -0.03 -0.08 -0.04 3.22 3.08 1wdlC1 ARG 27 HD3 0.02 -0.15 -0.02 -0.04 3.22 3.04 1wdlC1 ASN 28 H 0.12 0.06 -0.72 -0.55 8.53 7.45 1wdlC1 ASN 28 HA 0.07 0.22 0.88 -0.75 4.76 5.17 1wdlC1 ASN 28 HB2 -0.24 0.01 -0.07 -0.04 2.88 2.54 1wdlC1 ASN 28 HB3 -0.22 0.00 0.12 -0.04 2.79 2.65 1wdlC1 ASN 28 HD21 -0.22 0.02 -0.11 -0.04 7.03 6.68 1wdlC1 ASN 28 HD22 -0.51 0.02 -0.12 -0.04 7.74 7.08 1wdlC1 THR 29 H 0.21 0.57 -0.09 -0.55 8.28 8.42 1wdlC1 THR 29 HA 0.12 0.18 1.00 -0.75 4.39 4.94 1wdlC1 THR 29 HB 0.21 -0.03 0.09 -0.04 4.32 4.55 1wdlC1 THR 29 HG23 0.09 0.04 -0.06 -0.04 1.22 1.25 1wdlC1 ARG 30 H 0.07 0.18 0.11 -0.55 8.46 8.26 1wdlC1 ARG 30 HA 0.06 0.10 0.48 -0.75 4.34 4.22 1wdlC1 ARG 30 HB2 0.02 0.01 0.13 -0.04 1.90 2.02 1wdlC1 ARG 30 HB3 0.01 -0.14 0.08 -0.04 1.80 1.70 1wdlC1 ARG 30 HG2 -0.03 -0.01 0.05 -0.04 1.67 1.64 1wdlC1 ARG 30 HG3 -0.01 0.07 -0.00 -0.04 1.67 1.69 1wdlC1 ARG 30 HD2 -0.02 0.07 0.03 -0.04 3.22 3.25 1wdlC1 ARG 30 HD3 -0.03 -0.02 0.03 -0.04 3.22 3.16 1wdlC1 ALA 31 H 0.02 0.15 0.15 -0.55 8.40 8.17 1wdlC1 ALA 31 HA 0.11 0.12 0.35 -0.75 4.34 4.16 1wdlC1 ALA 31 HB3 0.10 0.00 -0.01 -0.04 1.41 1.47 1wdlC1 GLU 32 H 0.03 0.07 -0.17 -0.55 8.60 7.99 1wdlC1 GLU 32 HA -0.01 0.11 0.29 -0.75 4.29 3.93 1wdlC1 GLU 32 HB2 -0.01 -0.08 0.02 -0.04 2.09 1.98 1wdlC1 GLU 32 HB3 -0.03 0.15 -0.14 -0.04 1.99 1.94 1wdlC1 GLU 32 HG2 -0.00 0.11 -0.01 -0.04 2.34 2.39 1wdlC1 GLU 32 HG3 0.02 -0.12 0.00 -0.04 2.34 2.19 1wdlC1 ASP 33 H 0.01 0.02 -0.23 -0.55 8.40 7.66 1wdlC1 ASP 33 HA 0.00 0.15 0.38 -0.75 4.63 4.40 1wdlC1 ASP 33 HB2 0.03 -0.04 0.08 -0.04 2.71 2.73 1wdlC1 ASP 33 HB3 0.01 0.08 -0.03 -0.04 2.70 2.72 1wdlC1 MET 34 H 0.05 0.48 -0.28 -0.55 8.47 8.16 1wdlC1 MET 34 HA 0.06 0.07 0.31 -0.75 4.52 4.20 1wdlC1 MET 34 HB2 0.02 0.08 -0.02 -0.04 2.15 2.19 1wdlC1 MET 34 HB3 0.05 0.02 0.02 -0.04 2.03 2.08 1wdlC1 MET 34 HG2 0.00 -0.00 -0.22 -0.04 2.63 2.36 1wdlC1 MET 34 HG3 -0.10 0.07 -0.02 -0.04 2.56 2.47 1wdlC1 MET 34 HE3 -0.47 0.03 -0.15 -0.04 2.10 1.48 1wdlC1 SER 35 H 0.05 0.40 -0.45 -0.55 8.46 7.91 1wdlC1 SER 35 HA 0.21 0.01 0.43 -0.75 4.49 4.39 1wdlC1 SER 35 HB2 -0.17 0.14 0.07 -0.04 3.95 3.95 1wdlC1 SER 35 HB3 -0.52 -0.03 -0.11 -0.04 3.93 3.23 1wdlC1 ALA 36 H -0.07 0.61 0.04 -0.55 8.40 8.44 1wdlC1 ALA 36 HA -0.17 0.11 0.34 -0.75 4.34 3.86 1wdlC1 ALA 36 HB3 -0.05 -0.02 0.07 -0.04 1.41 1.37 1wdlC1 HIS 37 H 0.10 0.76 -0.12 -0.55 8.41 8.60 1wdlC1 HIS 37 HA -0.02 0.04 0.39 -0.75 4.63 4.29 1wdlC1 HIS 37 HB2 0.00 0.00 0.07 -0.04 3.26 3.29 1wdlC1 HIS 37 HB3 0.01 0.04 0.05 -0.04 3.20 3.26 1wdlC1 HIS 37 HD2 -0.00 0.01 0.02 -0.04 6.97 6.96 1wdlC1 HIS 37 HE1 0.01 0.06 0.02 -0.04 7.75 7.80 1wdlC1 LEU 38 H 0.07 0.35 -0.30 -0.55 8.37 7.94 1wdlC1 LEU 38 HA -0.06 0.06 0.32 -0.75 4.35 3.92 1wdlC1 LEU 38 HB2 0.08 0.07 0.07 -0.04 1.64 1.83 1wdlC1 LEU 38 HB3 0.14 0.06 0.09 -0.04 1.64 1.89 1wdlC1 LEU 38 HG 0.08 -0.03 -0.27 -0.04 1.64 1.38 1wdlC1 LEU 38 HD13 -0.04 0.02 -0.28 -0.04 0.93 0.58 1wdlC1 LEU 38 HD23 0.15 -0.01 -0.26 -0.04 0.89 0.73 1wdlC1 ILE 39 H -0.05 0.60 -0.13 -0.55 8.25 8.13 1wdlC1 ILE 39 HA 0.02 -0.04 0.30 -0.75 4.18 3.71 1wdlC1 ILE 39 HB -0.16 0.14 0.05 -0.04 1.89 1.88 1wdlC1 ILE 39 HG12 -0.18 -0.09 -0.07 -0.04 1.49 1.11 1wdlC1 ILE 39 HG13 -0.29 0.27 0.05 -0.04 1.21 1.19 1wdlC1 ILE 39 HG23 -0.07 -0.02 -0.11 -0.04 0.93 0.69 1wdlC1 ILE 39 HD13 -0.95 -0.02 -0.23 -0.04 0.88 -0.36 1wdlC1 SER 40 H -0.08 0.55 -0.28 -0.55 8.46 8.11 1wdlC1 SER 40 HA -0.05 -0.05 0.43 -0.75 4.49 4.07 1wdlC1 SER 40 HB2 -0.04 0.07 0.15 -0.04 3.95 4.09 1wdlC1 SER 40 HB3 -0.11 0.10 0.19 -0.04 3.93 4.08 1wdlC1 LYS 41 H -0.20 0.73 0.00 -0.55 8.42 8.39 1wdlC1 LYS 41 HA -0.11 -0.00 0.44 -0.75 4.32 3.89 1wdlC1 LYS 41 HB2 -0.23 0.11 0.15 -0.04 1.87 1.86 1wdlC1 LYS 41 HB3 -0.13 -0.02 -0.02 -0.04 1.79 1.58 1wdlC1 LYS 41 HG2 -0.61 0.01 0.05 -0.04 1.46 0.87 1wdlC1 LYS 41 HG3 -0.41 0.02 -0.01 -0.04 1.46 1.02 1wdlC1 LYS 41 HD2 -0.08 0.01 0.02 -0.04 1.69 1.60 1wdlC1 LYS 41 HD3 -0.11 -0.03 0.02 -0.04 1.68 1.53 1wdlC1 LYS 41 HE2 -0.01 -0.03 -0.02 -0.04 2.99 2.89 1wdlC1 LYS 41 HE3 0.02 0.01 -0.01 -0.04 2.99 2.97 1wdlC1 VAL 42 H -0.06 0.68 -0.13 -0.55 8.24 8.18 1wdlC1 VAL 42 HA -0.03 0.05 0.38 -0.75 4.13 3.76 1wdlC1 VAL 42 HB 0.01 0.07 0.04 -0.04 2.12 2.19 1wdlC1 VAL 42 HG13 0.02 -0.03 -0.22 -0.04 0.97 0.70 1wdlC1 VAL 42 HG23 -0.04 0.06 -0.04 -0.04 0.95 0.90 1wdlC1 LEU 43 H -0.02 0.47 -0.26 -0.55 8.37 8.02 1wdlC1 LEU 43 HA 0.01 0.01 0.39 -0.75 4.35 4.01 1wdlC1 LEU 43 HB2 -0.02 0.16 0.16 -0.04 1.64 1.90 1wdlC1 LEU 43 HB3 -0.01 -0.02 -0.01 -0.04 1.64 1.56 1wdlC1 LEU 43 HG 0.01 -0.01 0.04 -0.04 1.64 1.63 1wdlC1 LEU 43 HD13 -0.02 -0.03 -0.06 -0.04 0.93 0.78 1wdlC1 LEU 43 HD23 0.01 -0.01 -0.00 -0.04 0.89 0.85 1wdlC1 GLU 44 H -0.03 0.29 -0.46 -0.55 8.60 7.86 1wdlC1 GLU 44 HA -0.01 0.02 0.37 -0.75 4.29 3.91 1wdlC1 GLU 44 HB2 -0.04 0.25 0.19 -0.04 2.09 2.45 1wdlC1 GLU 44 HB3 -0.02 -0.07 -0.02 -0.04 1.99 1.83 1wdlC1 GLU 44 HG2 -0.02 -0.07 0.00 -0.04 2.34 2.21 1wdlC1 GLU 44 HG3 -0.04 0.25 0.05 -0.04 2.34 2.56 1wdlC1 ARG 45 H -0.02 0.38 -0.11 -0.55 8.46 8.15 1wdlC1 ARG 45 HA -0.01 -0.02 0.35 -0.75 4.34 3.91 1wdlC1 ARG 45 HB2 -0.00 0.05 -0.01 -0.04 1.90 1.90 1wdlC1 ARG 45 HB3 -0.00 -0.04 0.10 -0.04 1.80 1.81 1wdlC1 ARG 45 HG2 -0.02 -0.06 0.08 -0.04 1.67 1.63 1wdlC1 ARG 45 HG3 -0.02 0.11 0.18 -0.04 1.67 1.89 1wdlC1 ARG 45 HD2 -0.02 -0.02 0.02 -0.04 3.22 3.16 1wdlC1 ARG 45 HD3 -0.03 -0.03 -0.04 -0.04 3.22 3.07 1wdlC1 ASN 46 H 0.00 0.27 -0.84 -0.55 8.53 7.42 1wdlC1 ASN 46 HA 0.01 0.12 0.87 -0.75 4.76 5.00 1wdlC1 ASN 46 HB2 0.02 0.05 0.17 -0.04 2.88 3.08 1wdlC1 ASN 46 HB3 0.02 -0.09 0.06 -0.04 2.79 2.75 1wdlC1 ASN 46 HD21 0.02 -0.00 -0.16 -0.04 7.03 6.85 1wdlC1 ASN 46 HD22 0.02 0.06 -0.13 -0.04 7.74 7.65 1wdlC1 SER 47 H 0.00 0.24 -0.08 -0.55 8.46 8.07 1wdlC1 SER 47 HA -0.00 0.18 0.45 -0.75 4.49 4.37 1wdlC1 SER 47 HB2 -0.00 -0.07 0.13 -0.04 3.95 3.97 1wdlC1 SER 47 HB3 -0.00 0.11 0.11 -0.04 3.93 4.11 1wdlC1 LYS 48 H 0.01 0.06 -0.55 -0.55 8.42 7.38 1wdlC1 LYS 48 HA 0.01 0.16 0.75 -0.75 4.32 4.48 1wdlC1 LYS 48 HB2 0.01 0.01 -0.01 -0.04 1.87 1.84 1wdlC1 LYS 48 HB3 0.01 0.03 0.11 -0.04 1.79 1.90 1wdlC1 LYS 48 HG2 0.01 -0.00 -0.04 -0.04 1.46 1.38 1wdlC1 LYS 48 HG3 0.01 -0.08 -0.10 -0.04 1.46 1.24 1wdlC1 LYS 48 HD2 0.01 0.18 0.03 -0.04 1.69 1.87 1wdlC1 LYS 48 HD3 0.01 -0.05 -0.01 -0.04 1.68 1.59 1wdlC1 LYS 48 HE2 0.01 -0.06 -0.00 -0.04 2.99 2.89 1wdlC1 LYS 48 HE3 0.01 -0.01 -0.03 -0.04 2.99 2.93 1wdlC1 VAL 49 H 0.01 0.42 -0.22 -0.55 8.24 7.90 1wdlC1 VAL 49 HA 0.01 0.13 0.86 -0.75 4.13 4.38 1wdlC1 VAL 49 HB 0.02 -0.04 -0.08 -0.04 2.12 1.98 1wdlC1 VAL 49 HG13 0.03 -0.01 -0.12 -0.04 0.97 0.83 1wdlC1 VAL 49 HG23 0.02 -0.00 0.12 -0.04 0.95 1.04 1wdlC1 ASP 50 H 0.00 0.18 0.01 -0.55 8.40 8.06 1wdlC1 ASP 50 HA -0.00 0.18 0.39 -0.75 4.63 4.44 1wdlC1 ASP 50 HB2 -0.00 0.11 0.09 -0.04 2.71 2.86 1wdlC1 ASP 50 HB3 -0.00 -0.04 0.16 -0.04 2.70 2.77 1wdlC1 PRO 51 HA -0.01 0.06 0.34 -0.51 4.44 4.32 1wdlC1 PRO 51 HB2 -0.02 0.08 -0.05 -0.04 2.28 2.25 1wdlC1 PRO 51 HB3 -0.01 -0.03 -0.07 -0.04 2.02 1.87 1wdlC1 PRO 51 HG2 -0.01 0.02 0.01 -0.04 2.03 2.01 1wdlC1 PRO 51 HG3 -0.01 0.11 0.07 -0.04 2.03 2.16 1wdlC1 PRO 51 HD2 -0.01 0.03 0.18 -0.04 3.68 3.84 1wdlC1 PRO 51 HD3 -0.01 0.33 0.25 -0.04 3.65 4.18 1wdlC1 GLY 52 H -0.01 0.05 -0.48 -0.55 8.43 7.44 1wdlC1 GLY 52 HA2 -0.02 0.09 0.41 -0.51 4.01 3.98 1wdlC1 GLY 52 HA3 -0.02 -0.01 0.23 -0.51 4.01 3.70 1wdlC1 GLU 53 H -0.02 0.57 -0.23 -0.55 8.60 8.38 1wdlC1 GLU 53 HA -0.03 0.06 0.43 -0.75 4.29 4.00 1wdlC1 GLU 53 HB2 -0.01 0.13 0.01 -0.04 2.09 2.19 1wdlC1 GLU 53 HB3 -0.01 -0.13 0.09 -0.04 1.99 1.90 1wdlC1 GLU 53 HG2 -0.01 -0.02 -0.01 -0.04 2.34 2.26 1wdlC1 GLU 53 HG3 -0.01 -0.01 0.06 -0.04 2.34 2.34 1wdlC1 VAL 54 H -0.04 0.30 -0.49 -0.55 8.24 7.46 1wdlC1 VAL 54 HA -0.12 0.11 0.32 -0.75 4.13 3.68 1wdlC1 VAL 54 HB -0.05 0.12 0.11 -0.04 2.12 2.26 1wdlC1 VAL 54 HG13 -0.06 -0.06 -0.24 -0.04 0.97 0.56 1wdlC1 VAL 54 HG23 -0.01 -0.02 -0.07 -0.04 0.95 0.80 1wdlC1 GLU 55 H -0.36 0.37 0.52 -0.55 8.60 8.58 1wdlC1 GLU 55 HA -0.17 0.09 0.45 -0.75 4.29 3.91 1wdlC1 GLU 55 HB2 -0.68 -0.02 0.27 -0.04 2.09 1.62 1wdlC1 GLU 55 HB3 -0.35 0.03 0.03 -0.04 1.99 1.66 1wdlC1 GLU 55 HG2 -0.11 0.12 0.15 -0.04 2.34 2.46 1wdlC1 GLU 55 HG3 -0.08 -0.26 0.17 -0.04 2.34 2.14 1wdlC1 ASP 56 H -0.55 0.20 -0.05 -0.55 8.40 7.45 1wdlC1 ASP 56 HA -0.07 0.21 0.45 -0.75 4.63 4.47 1wdlC1 ASP 56 HB2 -0.03 0.20 -0.17 -0.04 2.71 2.67 1wdlC1 ASP 56 HB3 0.00 -0.05 -0.19 -0.04 2.70 2.43 1wdlC1 VAL 57 H 0.04 0.58 0.21 -0.55 8.24 8.51 1wdlC1 VAL 57 HA 0.16 0.17 1.01 -0.75 4.13 4.71 1wdlC1 VAL 57 HB 0.01 -0.04 0.20 -0.04 2.12 2.25 1wdlC1 VAL 57 HG13 0.03 0.01 -0.13 -0.04 0.97 0.83 1wdlC1 VAL 57 HG23 -0.01 0.02 -0.06 -0.04 0.95 0.86 1wdlC1 ILE 58 H 0.28 0.30 0.08 -0.55 8.25 8.36 1wdlC1 ILE 58 HA 0.20 0.21 0.98 -0.75 4.18 4.82 1wdlC1 ILE 58 HB 0.17 -0.04 0.16 -0.04 1.89 2.14 1wdlC1 ILE 58 HG12 0.19 -0.00 -0.20 -0.04 1.49 1.44 1wdlC1 ILE 58 HG13 0.31 0.00 -0.25 -0.04 1.21 1.23 1wdlC1 ILE 58 HG23 0.10 -0.01 -0.08 -0.04 0.93 0.90 1wdlC1 ILE 58 HD13 0.13 0.01 -0.12 -0.04 0.88 0.85 1wdlC1 TRP 59 H 0.33 0.52 0.36 -0.55 7.97 8.63 1wdlC1 TRP 59 HA 0.04 0.29 0.88 -0.75 4.62 5.08 1wdlC1 TRP 59 HB2 0.04 0.06 -0.11 -0.04 3.23 3.18 1wdlC1 TRP 59 HB3 0.04 -0.16 -0.13 -0.04 3.23 2.93 1wdlC1 TRP 59 HD1 0.03 -0.09 -0.28 -0.04 7.22 6.84 1wdlC1 TRP 59 HE1 0.01 -0.06 -0.29 -0.04 10.20 9.83 1wdlC1 TRP 59 HE3 0.05 0.09 -0.43 -0.04 7.59 7.26 1wdlC1 TRP 59 HZ2 -0.00 -0.05 -0.10 -0.04 7.44 7.24 1wdlC1 TRP 59 HZ3 0.04 0.10 -0.39 -0.04 7.13 6.84 1wdlC1 TRP 59 HH2 0.01 -0.02 -0.14 -0.04 7.19 7.00 1wdlC1 GLY 60 H -0.46 0.51 0.61 -0.55 8.43 8.54 1wdlC1 GLY 60 HA2 -0.01 0.28 0.92 -0.51 4.01 4.69 1wdlC1 GLY 60 HA3 -0.13 -0.04 0.30 -0.51 4.01 3.63 1wdlC1 CYS 61 H 0.04 0.45 0.18 -0.55 8.50 8.62 1wdlC1 CYS 61 HA 0.05 0.09 0.74 -0.75 4.58 4.71 1wdlC1 CYS 61 HB2 0.18 0.06 -0.32 -0.04 2.97 2.85 1wdlC1 CYS 61 HB3 0.13 0.01 -0.11 -0.04 2.97 2.95 1wdlC1 VAL 62 H 0.10 0.03 0.15 -0.55 8.24 7.98 1wdlC1 VAL 62 HA 0.06 0.22 0.98 -0.75 4.13 4.63 1wdlC1 VAL 62 HB 0.23 -0.11 0.22 -0.04 2.12 2.43 1wdlC1 VAL 62 HG13 0.06 0.02 -0.05 -0.04 0.97 0.95 1wdlC1 VAL 62 HG23 0.07 -0.05 -0.07 -0.04 0.95 0.86 1wdlC1 ASN 63 H 0.15 0.03 0.11 -0.55 8.53 8.27 1wdlC1 ASN 63 HA 0.10 0.17 0.47 -0.75 4.76 4.75 1wdlC1 ASN 63 HB2 0.15 -0.08 0.15 -0.04 2.88 3.06 1wdlC1 ASN 63 HB3 0.12 -0.06 0.23 -0.04 2.79 3.04 1wdlC1 ASN 63 HD21 0.13 0.35 0.06 -0.04 7.03 7.52 1wdlC1 ASN 63 HD22 0.15 -0.18 0.11 -0.04 7.74 7.77 1wdlC1 GLN 64 H 0.09 0.54 0.15 -0.55 8.47 8.70 1wdlC1 GLN 64 HA 0.11 0.08 0.22 -0.75 4.36 4.02 1wdlC1 GLN 64 HB2 0.10 0.03 0.19 -0.04 2.15 2.43 1wdlC1 GLN 64 HB3 0.13 -0.11 0.10 -0.04 2.02 2.10 1wdlC1 GLN 64 HG2 0.11 0.05 -0.16 -0.04 2.40 2.36 1wdlC1 GLN 64 HG3 0.09 0.08 -0.35 -0.04 2.39 2.17 1wdlC1 GLN 64 HE21 0.07 -0.00 -0.04 -0.04 6.97 6.95 1wdlC1 GLN 64 HE22 0.07 0.24 0.04 -0.04 7.69 8.00 1wdlC1 THR 65 H 0.10 0.48 0.07 -0.55 8.28 8.39 1wdlC1 THR 65 HA 0.12 0.12 0.56 -0.75 4.39 4.42 1wdlC1 THR 65 HB 0.09 0.10 -0.25 -0.04 4.32 4.22 1wdlC1 THR 65 HG23 0.15 0.02 -0.25 -0.04 1.22 1.10 1wdlC1 LEU 66 H 0.01 0.19 0.09 -0.55 8.37 8.11 1wdlC1 LEU 66 HA -0.07 0.11 0.33 -0.75 4.35 3.97 1wdlC1 LEU 66 HB2 0.02 0.16 0.04 -0.04 1.64 1.81 1wdlC1 LEU 66 HB3 -0.05 -0.02 0.23 -0.04 1.64 1.77 1wdlC1 LEU 66 HG 0.12 -0.05 -0.13 -0.04 1.64 1.53 1wdlC1 LEU 66 HD13 -0.06 0.02 0.01 -0.04 0.93 0.86 1wdlC1 LEU 66 HD23 -0.02 0.02 0.04 -0.04 0.89 0.89 1wdlC1 GLU 67 H -0.03 0.15 0.24 -0.55 8.60 8.41 1wdlC1 GLU 67 HA -0.05 0.13 0.41 -0.75 4.29 4.02 1wdlC1 GLU 67 HB2 0.00 0.00 0.18 -0.04 2.09 2.23 1wdlC1 GLU 67 HB3 -0.00 -0.19 0.07 -0.04 1.99 1.83 1wdlC1 GLU 67 HG2 -0.06 0.04 0.08 -0.04 2.34 2.37 1wdlC1 GLU 67 HG3 -0.08 0.05 0.11 -0.04 2.34 2.38 1wdlC1 GLN 68 H 0.04 0.34 -0.07 -0.55 8.47 8.23 1wdlC1 GLN 68 HA 0.08 0.14 0.59 -0.75 4.36 4.41 1wdlC1 GLN 68 HB2 0.09 0.26 0.13 -0.04 2.15 2.59 1wdlC1 GLN 68 HB3 0.11 -0.07 0.00 -0.04 2.02 2.02 1wdlC1 GLN 68 HG2 0.10 0.00 -0.10 -0.04 2.40 2.36 1wdlC1 GLN 68 HG3 0.07 -0.09 -0.04 -0.04 2.39 2.29 1wdlC1 GLN 68 HE21 0.09 -0.14 0.04 -0.04 6.97 6.92 1wdlC1 GLN 68 HE22 0.10 0.45 -0.03 -0.04 7.69 8.16 1wdlC1 GLY 69 H 0.04 0.35 -0.89 -0.55 8.43 7.39 1wdlC1 GLY 69 HA2 0.18 0.08 0.25 -0.51 4.01 4.02 1wdlC1 GLY 69 HA3 0.18 0.01 -0.09 -0.51 4.01 3.60 1wdlC1 TRP 70 H 0.44 0.14 0.06 -0.55 7.97 8.07 1wdlC1 TRP 70 HA 0.02 0.02 0.31 -0.75 4.62 4.22 1wdlC1 TRP 70 HB2 0.01 0.26 -0.16 -0.04 3.23 3.29 1wdlC1 TRP 70 HB3 0.00 0.04 0.15 -0.04 3.23 3.37 1wdlC1 TRP 70 HD1 0.02 -0.13 -0.04 -0.04 7.22 7.03 1wdlC1 TRP 70 HE1 0.01 -0.01 -0.01 -0.04 10.20 10.16 1wdlC1 TRP 70 HE3 -0.00 0.03 -0.01 -0.04 7.59 7.56 1wdlC1 TRP 70 HZ2 0.00 -0.01 -0.01 -0.04 7.44 7.39 1wdlC1 TRP 70 HZ3 -0.00 0.02 -0.01 -0.04 7.13 7.09 1wdlC1 TRP 70 HH2 0.00 0.01 -0.01 -0.04 7.19 7.15 1wdlC1 ASN 71 H 0.14 0.05 -0.03 -0.55 8.53 8.16 1wdlC1 ASN 71 HA 0.10 -0.05 0.34 -0.75 4.76 4.40 1wdlC1 ASN 71 HB2 0.05 0.02 -0.02 -0.04 2.88 2.89 1wdlC1 ASN 71 HB3 0.07 0.25 0.02 -0.04 2.79 3.09 1wdlC1 ASN 71 HD21 0.03 0.37 0.02 -0.04 7.03 7.41 1wdlC1 ASN 71 HD22 0.03 0.07 0.07 -0.04 7.74 7.87 1wdlC1 ILE 72 H 0.13 0.17 -0.17 -0.55 8.25 7.83 1wdlC1 ILE 72 HA 0.06 0.17 0.18 -0.75 4.18 3.84 1wdlC1 ILE 72 HB 0.12 0.14 -0.12 -0.04 1.89 1.99 1wdlC1 ILE 72 HG12 0.01 0.01 -0.18 -0.04 1.49 1.28 1wdlC1 ILE 72 HG13 0.04 0.06 -0.05 -0.04 1.21 1.22 1wdlC1 ILE 72 HG23 0.24 -0.01 -0.24 -0.04 0.93 0.87 1wdlC1 ILE 72 HD13 0.14 -0.03 -0.27 -0.04 0.88 0.68 1wdlC1 ALA 73 H 0.11 -0.00 -0.58 -0.55 8.40 7.38 1wdlC1 ALA 73 HA -0.07 0.07 0.21 -0.75 4.34 3.80 1wdlC1 ALA 73 HB3 0.13 0.06 -0.21 -0.04 1.41 1.35 1wdlC1 ARG 74 H 0.02 0.24 -0.26 -0.55 8.46 7.91 1wdlC1 ARG 74 HA -0.04 0.15 0.44 -0.75 4.34 4.14 1wdlC1 ARG 74 HB2 0.00 0.02 0.05 -0.04 1.90 1.93 1wdlC1 ARG 74 HB3 0.02 0.12 0.11 -0.04 1.80 2.00 1wdlC1 ARG 74 HG2 -0.01 0.00 -0.03 -0.04 1.67 1.59 1wdlC1 ARG 74 HG3 -0.03 -0.02 -0.27 -0.04 1.67 1.31 1wdlC1 ARG 74 HD2 -0.04 -0.02 -0.05 -0.04 3.22 3.07 1wdlC1 ARG 74 HD3 -0.02 -0.01 -0.05 -0.04 3.22 3.10 1wdlC1 MET 75 H 0.00 0.34 -0.12 -0.55 8.47 8.15 1wdlC1 MET 75 HA -0.02 0.07 0.35 -0.75 4.52 4.17 1wdlC1 MET 75 HB2 0.00 -0.04 0.02 -0.04 2.15 2.09 1wdlC1 MET 75 HB3 -0.00 -0.05 0.00 -0.04 2.03 1.94 1wdlC1 MET 75 HG2 0.07 0.34 -0.02 -0.04 2.63 2.98 1wdlC1 MET 75 HG3 0.08 0.04 -0.15 -0.04 2.56 2.50 1wdlC1 MET 75 HE3 0.20 -0.00 -0.00 -0.04 2.10 2.26 1wdlC1 ALA 76 H -0.12 0.54 -0.37 -0.55 8.40 7.91 1wdlC1 ALA 76 HA -0.11 0.05 0.53 -0.75 4.34 4.05 1wdlC1 ALA 76 HB3 -0.33 -0.03 -0.03 -0.04 1.41 0.98 1wdlC1 SER 77 H -0.14 0.19 -0.41 -0.55 8.46 7.55 1wdlC1 SER 77 HA -0.15 0.03 0.48 -0.75 4.49 4.10 1wdlC1 SER 77 HB2 -0.13 0.12 0.11 -0.04 3.95 4.01 1wdlC1 SER 77 HB3 -0.07 0.01 0.08 -0.04 3.93 3.91 1wdlC1 LEU 78 H -0.07 0.42 -0.23 -0.55 8.37 7.94 1wdlC1 LEU 78 HA -0.01 0.17 0.40 -0.75 4.35 4.16 1wdlC1 LEU 78 HB2 -0.05 0.03 0.03 -0.04 1.64 1.61 1wdlC1 LEU 78 HB3 -0.08 -0.06 -0.01 -0.04 1.64 1.46 1wdlC1 LEU 78 HG -0.08 0.16 -0.00 -0.04 1.64 1.68 1wdlC1 LEU 78 HD13 -0.08 -0.04 -0.08 -0.04 0.93 0.68 1wdlC1 LEU 78 HD23 -0.28 0.01 -0.02 -0.04 0.89 0.56 1wdlC1 MET 79 H -0.04 0.15 -0.51 -0.55 8.47 7.52 1wdlC1 MET 79 HA 0.01 0.14 0.60 -0.75 4.52 4.51 1wdlC1 MET 79 HB2 -0.03 0.03 -0.01 -0.04 2.15 2.10 1wdlC1 MET 79 HB3 -0.00 -0.06 0.11 -0.04 2.03 2.03 1wdlC1 MET 79 HG2 -0.01 0.01 -0.08 -0.04 2.63 2.51 1wdlC1 MET 79 HG3 -0.03 0.13 -0.04 -0.04 2.56 2.58 1wdlC1 MET 79 HE3 -0.03 -0.02 -0.14 -0.04 2.10 1.87 1wdlC1 THR 80 H -0.02 0.34 -0.71 -0.55 8.28 7.34 1wdlC1 THR 80 HA -0.02 0.12 0.75 -0.75 4.39 4.49 1wdlC1 THR 80 HB -0.05 0.20 0.08 -0.04 4.32 4.51 1wdlC1 THR 80 HG23 -0.05 -0.05 0.02 -0.04 1.22 1.10 1wdlC1 GLN 81 H -0.02 0.12 0.10 -0.55 8.47 8.12 1wdlC1 GLN 81 HA -0.01 0.10 0.37 -0.75 4.36 4.06 1wdlC1 GLN 81 HB2 -0.02 -0.02 0.09 -0.04 2.15 2.16 1wdlC1 GLN 81 HB3 -0.01 -0.01 0.08 -0.04 2.02 2.03 1wdlC1 GLN 81 HG2 -0.02 0.00 -0.13 -0.04 2.40 2.21 1wdlC1 GLN 81 HG3 -0.02 0.03 -0.04 -0.04 2.39 2.32 1wdlC1 GLN 81 HE21 -0.03 0.30 0.11 -0.04 6.97 7.31 1wdlC1 GLN 81 HE22 -0.02 0.01 -0.06 -0.04 7.69 7.58 1wdlC1 ILE 82 H -0.02 -0.09 -0.64 -0.55 8.25 6.96 1wdlC1 ILE 82 HA -0.01 0.01 0.32 -0.75 4.18 3.74 1wdlC1 ILE 82 HB -0.02 0.16 0.02 -0.04 1.89 2.02 1wdlC1 ILE 82 HG12 -0.03 -0.14 -0.01 -0.04 1.49 1.26 1wdlC1 ILE 82 HG13 -0.04 -0.04 -0.02 -0.04 1.21 1.07 1wdlC1 ILE 82 HG23 -0.02 0.07 -0.11 -0.04 0.93 0.84 1wdlC1 ILE 82 HD13 -0.02 0.01 -0.01 -0.04 0.88 0.82 1wdlC1 PRO 83 HA -0.03 0.08 0.40 -0.51 4.44 4.38 1wdlC1 PRO 83 HB2 -0.00 -0.03 0.03 -0.04 2.28 2.23 1wdlC1 PRO 83 HB3 -0.03 -0.02 0.13 -0.04 2.02 2.06 1wdlC1 PRO 83 HG2 -0.02 -0.05 0.03 -0.04 2.03 1.95 1wdlC1 PRO 83 HG3 -0.03 0.08 0.05 -0.04 2.03 2.09 1wdlC1 PRO 83 HD2 -0.01 0.25 0.01 -0.04 3.68 3.87 1wdlC1 PRO 83 HD3 -0.02 0.08 -0.03 -0.04 3.65 3.64 1wdlC1 HIS 84 H 0.00 0.11 0.16 -0.55 8.41 8.14 1wdlC1 HIS 84 HA -0.02 0.19 0.49 -0.75 4.63 4.53 1wdlC1 HIS 84 HB2 -0.01 -0.05 0.08 -0.04 3.26 3.24 1wdlC1 HIS 84 HB3 -0.01 -0.00 0.11 -0.04 3.20 3.26 1wdlC1 HIS 84 HD2 -0.02 0.18 -0.12 -0.04 6.97 6.97 1wdlC1 HIS 84 HE1 -0.01 -0.05 0.00 -0.04 7.75 7.66 1wdlC1 THR 85 H 0.04 -0.05 -0.39 -0.55 8.28 7.34 1wdlC1 THR 85 HA 0.03 0.08 0.47 -0.75 4.39 4.22 1wdlC1 THR 85 HB -0.00 0.01 0.07 -0.04 4.32 4.36 1wdlC1 THR 85 HG23 0.01 -0.03 0.00 -0.04 1.22 1.15 1wdlC1 SER 86 H 0.02 0.22 -0.50 -0.55 8.46 7.65 1wdlC1 SER 86 HA -0.03 0.16 0.60 -0.75 4.49 4.46 1wdlC1 SER 86 HB2 -0.01 0.04 -0.08 -0.04 3.95 3.85 1wdlC1 SER 86 HB3 -0.05 -0.04 -0.01 -0.04 3.93 3.79 1wdlC1 ALA 87 H -0.04 0.29 0.09 -0.55 8.40 8.19 1wdlC1 ALA 87 HA -0.01 0.21 0.87 -0.75 4.34 4.66 1wdlC1 ALA 87 HB3 0.00 0.01 0.09 -0.04 1.41 1.47 1wdlC1 ALA 88 H 0.02 0.26 0.15 -0.55 8.40 8.28 1wdlC1 ALA 88 HA 0.06 0.10 0.64 -0.75 4.34 4.38 1wdlC1 ALA 88 HB3 0.01 0.00 -0.27 -0.04 1.41 1.11 1wdlC1 GLN 89 H 0.11 0.57 0.29 -0.55 8.47 8.90 1wdlC1 GLN 89 HA 0.07 0.12 0.88 -0.75 4.36 4.67 1wdlC1 GLN 89 HB2 0.06 0.02 0.03 -0.04 2.15 2.22 1wdlC1 GLN 89 HB3 0.07 0.06 -0.17 -0.04 2.02 1.94 1wdlC1 GLN 89 HG2 0.12 -0.00 -0.05 -0.04 2.40 2.43 1wdlC1 GLN 89 HG3 0.10 -0.06 -0.33 -0.04 2.39 2.05 1wdlC1 GLN 89 HE21 0.08 0.04 -0.10 -0.04 6.97 6.95 1wdlC1 GLN 89 HE22 0.10 0.01 -0.14 -0.04 7.69 7.61 1wdlC1 THR 90 H 0.08 0.19 0.19 -0.55 8.28 8.20 1wdlC1 THR 90 HA 0.17 0.45 1.11 -0.75 4.39 5.36 1wdlC1 THR 90 HB 0.10 -0.00 0.20 -0.04 4.32 4.58 1wdlC1 THR 90 HG23 0.14 0.03 -0.12 -0.04 1.22 1.23 1wdlC1 VAL 91 H 0.08 0.50 0.21 -0.55 8.24 8.48 1wdlC1 VAL 91 HA 0.04 0.18 0.93 -0.75 4.13 4.52 1wdlC1 VAL 91 HB 0.02 -0.00 -0.01 -0.04 2.12 2.08 1wdlC1 VAL 91 HG13 0.00 -0.01 -0.24 -0.04 0.97 0.69 1wdlC1 VAL 91 HG23 0.05 0.03 -0.20 -0.04 0.95 0.79 1wdlC1 SER 92 H 0.02 0.27 0.19 -0.55 8.46 8.40 1wdlC1 SER 92 HA 0.01 0.05 1.03 -0.75 4.49 4.83 1wdlC1 SER 92 HB2 0.04 0.23 0.15 -0.04 3.95 4.33 1wdlC1 SER 92 HB3 0.02 0.03 0.21 -0.04 3.93 4.16 1wdlC1 ARG 93 H -0.02 0.13 -0.09 -0.55 8.46 7.93 1wdlC1 ARG 93 HA -0.02 0.23 0.51 -0.75 4.34 4.31 1wdlC1 ARG 93 HB2 -0.03 0.15 -0.25 -0.04 1.90 1.73 1wdlC1 ARG 93 HB3 -0.04 -0.07 -0.39 -0.04 1.80 1.26 1wdlC1 ARG 93 HG2 -0.04 -0.20 -0.02 -0.04 1.67 1.37 1wdlC1 ARG 93 HG3 -0.03 0.09 -0.02 -0.04 1.67 1.67 1wdlC1 ARG 93 HD2 -0.05 0.01 -0.15 -0.04 3.22 2.99 1wdlC1 ARG 93 HD3 -0.03 0.02 -0.09 -0.04 3.22 3.08 1wdlC1 LEU 94 H -0.03 0.20 -0.07 -0.55 8.37 7.92 1wdlC1 LEU 94 HA -0.09 0.05 0.30 -0.75 4.35 3.85 1wdlC1 LEU 94 HB2 -0.08 0.14 0.00 -0.04 1.64 1.67 1wdlC1 LEU 94 HB3 -0.18 -0.06 0.21 -0.04 1.64 1.56 1wdlC1 LEU 94 HG -0.05 0.05 -0.20 -0.04 1.64 1.41 1wdlC1 LEU 94 HD13 -0.06 0.05 -0.11 -0.04 0.93 0.77 1wdlC1 LEU 94 HD23 -0.08 0.01 0.00 -0.04 0.89 0.78 1wdlC1 CYS 95 H -0.11 0.06 0.27 -0.55 8.50 8.17 1wdlC1 CYS 95 HA -0.01 0.06 0.42 -0.75 4.58 4.30 1wdlC1 CYS 95 HB2 -0.02 0.10 0.20 -0.04 2.97 3.21 1wdlC1 CYS 95 HB3 0.11 0.04 0.04 -0.04 2.97 3.12 1wdlC1 GLY 96 H -0.03 0.30 -0.09 -0.55 8.43 8.05 1wdlC1 GLY 96 HA2 -0.03 0.07 0.35 -0.51 4.01 3.89 1wdlC1 GLY 96 HA3 -0.05 0.11 0.19 -0.51 4.01 3.76 1wdlC1 SER 97 H -0.04 0.37 -0.97 -0.55 8.46 7.27 1wdlC1 SER 97 HA -0.05 0.05 0.15 -0.75 4.49 3.89 1wdlC1 SER 97 HB2 -0.04 0.00 0.02 -0.04 3.95 3.88 1wdlC1 SER 97 HB3 -0.03 0.29 0.15 -0.04 3.93 4.30 1wdlC1 SER 98 H -0.09 0.16 -0.18 -0.55 8.46 7.80 1wdlC1 SER 98 HA -0.16 0.24 0.39 -0.75 4.49 4.21 1wdlC1 SER 98 HB2 -0.17 0.32 -0.05 -0.04 3.95 4.02 1wdlC1 SER 98 HB3 -0.10 -0.29 -0.04 -0.04 3.93 3.46 1wdlC1 MET 99 H -0.09 0.09 -0.47 -0.55 8.47 7.45 1wdlC1 MET 99 HA -0.08 0.12 0.28 -0.75 4.52 4.08 1wdlC1 MET 99 HB2 -0.07 -0.07 -0.09 -0.04 2.15 1.89 1wdlC1 MET 99 HB3 -0.17 0.09 -0.06 -0.04 2.03 1.84 1wdlC1 MET 99 HG2 -0.37 0.01 -0.24 -0.04 2.63 1.99 1wdlC1 MET 99 HG3 -0.00 0.02 -0.12 -0.04 2.56 2.42 1wdlC1 MET 99 HE3 0.05 0.02 -0.18 -0.04 2.10 1.95 1wdlC1 SER 100 H -0.16 0.54 -0.14 -0.55 8.46 8.15 1wdlC1 SER 100 HA -0.35 0.04 0.33 -0.75 4.49 3.76 1wdlC1 SER 100 HB2 -0.07 0.12 -0.01 -0.04 3.95 3.95 1wdlC1 SER 100 HB3 -0.06 -0.02 -0.07 -0.04 3.93 3.74 1wdlC1 ALA 101 H -0.08 0.35 -0.48 -0.55 8.40 7.64 1wdlC1 ALA 101 HA 0.02 -0.01 0.33 -0.75 4.34 3.92 1wdlC1 ALA 101 HB3 -0.01 0.09 0.06 -0.04 1.41 1.51 1wdlC1 LEU 102 H -0.03 0.31 -0.24 -0.55 8.37 7.86 1wdlC1 LEU 102 HA 0.05 0.01 0.33 -0.75 4.35 3.99 1wdlC1 LEU 102 HB2 0.06 -0.02 0.04 -0.04 1.64 1.68 1wdlC1 LEU 102 HB3 0.08 0.19 0.07 -0.04 1.64 1.94 1wdlC1 LEU 102 HG 0.10 -0.01 -0.24 -0.04 1.64 1.45 1wdlC1 LEU 102 HD13 0.12 -0.00 -0.08 -0.04 0.93 0.92 1wdlC1 LEU 102 HD23 0.26 -0.01 -0.12 -0.04 0.89 0.98 1wdlC1 HIS 103 H 0.05 0.35 -0.39 -0.55 8.41 7.87 1wdlC1 HIS 103 HA -0.07 0.04 0.40 -0.75 4.63 4.25 1wdlC1 HIS 103 HB2 -0.03 0.12 0.11 -0.04 3.26 3.42 1wdlC1 HIS 103 HB3 -0.05 -0.02 -0.06 -0.04 3.20 3.03 1wdlC1 HIS 103 HD2 -0.06 -0.07 -0.19 -0.04 6.97 6.60 1wdlC1 HIS 103 HE1 -0.04 0.07 0.03 -0.04 7.75 7.76 1wdlC1 THR 104 H 0.04 0.59 -0.08 -0.55 8.28 8.28 1wdlC1 THR 104 HA -0.00 0.02 0.32 -0.75 4.39 3.98 1wdlC1 THR 104 HB 0.02 0.09 0.11 -0.04 4.32 4.50 1wdlC1 THR 104 HG23 0.03 -0.01 -0.16 -0.04 1.22 1.04 1wdlC1 ALA 105 H -0.07 0.48 -0.22 -0.55 8.40 8.04 1wdlC1 ALA 105 HA -0.74 0.05 0.34 -0.75 4.34 3.23 1wdlC1 ALA 105 HB3 -0.29 0.02 -0.02 -0.04 1.41 1.08 1wdlC1 ALA 106 H -0.11 0.48 -0.25 -0.55 8.40 7.97 1wdlC1 ALA 106 HA -0.13 -0.03 0.30 -0.75 4.34 3.74 1wdlC1 ALA 106 HB3 -0.09 0.04 0.08 -0.04 1.41 1.40 1wdlC1 GLN 107 H -0.09 0.66 -0.17 -0.55 8.47 8.32 1wdlC1 GLN 107 HA -0.07 0.02 0.37 -0.75 4.36 3.93 1wdlC1 GLN 107 HB2 -0.05 0.11 0.08 -0.04 2.15 2.24 1wdlC1 GLN 107 HB3 -0.04 -0.04 -0.02 -0.04 2.02 1.87 1wdlC1 GLN 107 HG2 -0.06 -0.02 -0.01 -0.04 2.40 2.27 1wdlC1 GLN 107 HG3 -0.07 0.07 0.03 -0.04 2.39 2.38 1wdlC1 GLN 107 HE21 0.03 -0.08 -0.16 -0.04 6.97 6.72 1wdlC1 GLN 107 HE22 -0.00 -0.01 -0.19 -0.04 7.69 7.46 1wdlC1 ALA 108 H -0.17 0.45 -0.29 -0.55 8.40 7.86 1wdlC1 ALA 108 HA -0.01 -0.01 0.35 -0.75 4.34 3.91 1wdlC1 ALA 108 HB3 -0.16 0.06 0.04 -0.04 1.41 1.31 1wdlC1 ILE 109 H -0.25 0.69 -0.14 -0.55 8.25 8.00 1wdlC1 ILE 109 HA 0.07 0.15 0.28 -0.75 4.18 3.92 1wdlC1 ILE 109 HB -0.08 0.13 0.04 -0.04 1.89 1.94 1wdlC1 ILE 109 HG12 0.14 -0.01 -0.27 -0.04 1.49 1.31 1wdlC1 ILE 109 HG13 -0.41 0.19 -0.13 -0.04 1.21 0.81 1wdlC1 ILE 109 HG23 0.03 -0.00 -0.24 -0.04 0.93 0.67 1wdlC1 ILE 109 HD13 0.01 -0.06 -0.37 -0.04 0.88 0.42 1wdlC1 MET 110 H -0.06 0.52 -0.19 -0.55 8.47 8.20 1wdlC1 MET 110 HA -0.01 0.13 0.49 -0.75 4.52 4.37 1wdlC1 MET 110 HB2 -0.04 0.06 0.15 -0.04 2.15 2.28 1wdlC1 MET 110 HB3 -0.03 -0.08 0.06 -0.04 2.03 1.94 1wdlC1 MET 110 HG2 -0.04 0.11 0.15 -0.04 2.63 2.81 1wdlC1 MET 110 HG3 -0.06 0.25 0.11 -0.04 2.56 2.82 1wdlC1 MET 110 HE3 -0.04 -0.00 0.01 -0.04 2.10 2.02 1wdlC1 THR 111 H -0.01 0.49 -0.24 -0.55 8.28 7.97 1wdlC1 THR 111 HA 0.00 0.08 0.66 -0.75 4.39 4.39 1wdlC1 THR 111 HB 0.01 -0.08 0.13 -0.04 4.32 4.33 1wdlC1 THR 111 HG23 -0.01 -0.02 -0.00 -0.04 1.22 1.15 1wdlC1 GLY 112 H 0.02 0.44 -0.41 -0.55 8.43 7.93 1wdlC1 GLY 112 HA2 0.04 0.03 0.33 -0.51 4.01 3.91 1wdlC1 GLY 112 HA3 0.03 0.02 0.51 -0.51 4.01 4.05 1wdlC1 ASN 113 H 0.07 0.61 -0.09 -0.55 8.53 8.58 1wdlC1 ASN 113 HA 0.07 0.16 0.83 -0.75 4.76 5.06 1wdlC1 ASN 113 HB2 0.09 -0.02 0.10 -0.04 2.88 3.01 1wdlC1 ASN 113 HB3 0.10 -0.06 0.13 -0.04 2.79 2.91 1wdlC1 ASN 113 HD21 0.03 -0.02 -0.09 -0.04 7.03 6.91 1wdlC1 ASN 113 HD22 0.04 -0.00 -0.01 -0.04 7.74 7.72 1wdlC1 GLY 114 H 0.10 0.17 -0.31 -0.55 8.43 7.84 1wdlC1 GLY 114 HA2 0.05 0.01 0.32 -0.51 4.01 3.88 1wdlC1 GLY 114 HA3 0.24 0.18 0.73 -0.51 4.01 4.66 1wdlC1 ASP 115 H 0.03 0.11 0.22 -0.55 8.40 8.22 1wdlC1 ASP 115 HA 0.13 0.20 1.03 -0.75 4.63 5.24 1wdlC1 ASP 115 HB2 0.03 0.05 0.17 -0.04 2.71 2.92 1wdlC1 ASP 115 HB3 0.05 -0.03 0.07 -0.04 2.70 2.75 1wdlC1 VAL 116 H -0.01 0.14 0.26 -0.55 8.24 8.09 1wdlC1 VAL 116 HA 0.16 0.29 1.18 -0.75 4.13 5.01 1wdlC1 VAL 116 HB -0.01 -0.01 -0.23 -0.04 2.12 1.83 1wdlC1 VAL 116 HG13 0.05 0.02 -0.15 -0.04 0.97 0.85 1wdlC1 VAL 116 HG23 0.04 -0.01 -0.15 -0.04 0.95 0.79 1wdlC1 PHE 117 H 0.28 0.98 0.47 -0.55 8.34 9.52 1wdlC1 PHE 117 HA 0.05 0.16 1.02 -0.75 4.62 5.10 1wdlC1 PHE 117 HB2 0.06 0.01 0.00 -0.04 3.15 3.18 1wdlC1 PHE 117 HB3 0.08 -0.07 0.05 -0.04 3.06 3.08 1wdlC1 PHE 117 HD2 0.05 -0.02 -0.35 -0.04 7.28 6.92 1wdlC1 PHE 117 HE2 0.03 -0.04 -0.30 -0.04 7.38 7.04 1wdlC1 PHE 117 HZ 0.03 0.29 -0.06 -0.04 7.32 7.53 1wdlC1 VAL 118 H 0.23 0.43 0.26 -0.55 8.24 8.61 1wdlC1 VAL 118 HA 0.19 0.19 0.99 -0.75 4.13 4.75 1wdlC1 VAL 118 HB 0.11 -0.05 0.19 -0.04 2.12 2.33 1wdlC1 VAL 118 HG13 0.17 -0.01 -0.10 -0.04 0.97 0.99 1wdlC1 VAL 118 HG23 0.06 0.01 -0.18 -0.04 0.95 0.79 1wdlC1 VAL 119 H 0.22 0.55 0.27 -0.55 8.24 8.74 1wdlC1 VAL 119 HA 0.29 0.32 1.06 -0.75 4.13 5.05 1wdlC1 VAL 119 HB 0.08 -0.08 0.01 -0.04 2.12 2.09 1wdlC1 VAL 119 HG13 0.15 -0.02 -0.10 -0.04 0.97 0.95 1wdlC1 VAL 119 HG23 0.11 0.01 -0.08 -0.04 0.95 0.96 1wdlC1 GLY 120 H -0.08 0.41 0.42 -0.55 8.43 8.64 1wdlC1 GLY 120 HA2 -0.30 -0.07 0.33 -0.51 4.01 3.47 1wdlC1 GLY 120 HA3 -0.83 0.27 0.83 -0.51 4.01 3.77 1wdlC1 GLY 121 H -1.20 0.63 0.51 -0.55 8.43 7.83 1wdlC1 GLY 121 HA2 -1.31 -0.09 0.76 -0.51 4.01 2.86 1wdlC1 GLY 121 HA3 -0.54 0.29 0.70 -0.51 4.01 3.94 1wdlC1 VAL 122 H -0.21 0.79 0.31 -0.55 8.24 8.58 1wdlC1 VAL 122 HA -0.04 0.25 0.79 -0.75 4.13 4.37 1wdlC1 VAL 122 HB 0.54 0.11 -0.21 -0.04 2.12 2.52 1wdlC1 VAL 122 HG13 0.38 -0.01 -0.21 -0.04 0.97 1.09 1wdlC1 VAL 122 HG23 0.11 0.01 -0.14 -0.04 0.95 0.89 1wdlC1 GLU 123 H -0.03 0.52 0.14 -0.55 8.60 8.68 1wdlC1 GLU 123 HA 0.03 0.07 0.59 -0.75 4.29 4.22 1wdlC1 GLU 123 HB2 -0.03 -0.06 -0.34 -0.04 2.09 1.62 1wdlC1 GLU 123 HB3 -0.11 0.03 0.08 -0.04 1.99 1.94 1wdlC1 GLU 123 HG2 -0.07 -0.10 0.10 -0.04 2.34 2.22 1wdlC1 GLU 123 HG3 -0.12 0.08 -0.06 -0.04 2.34 2.20 1wdlC1 HIS 124 H 0.09 0.23 0.06 -0.55 8.41 8.26 1wdlC1 HIS 124 HA -0.13 0.16 0.94 -0.75 4.63 4.86 1wdlC1 HIS 124 HB2 -0.08 0.04 0.09 -0.04 3.26 3.28 1wdlC1 HIS 124 HB3 -0.05 -0.02 0.29 -0.04 3.20 3.38 1wdlC1 HIS 124 HD2 -0.19 0.07 -0.09 -0.04 6.97 6.72 1wdlC1 HIS 124 HE1 -0.56 0.07 -0.08 -0.04 7.75 7.14 1wdlC1 MET 125 H -0.15 0.39 -0.17 -0.55 8.47 7.99 1wdlC1 MET 125 HA -0.04 0.32 0.15 -0.75 4.52 4.20 1wdlC1 MET 125 HB2 -0.17 0.01 -0.14 -0.04 2.15 1.81 1wdlC1 MET 125 HB3 -0.15 -0.03 0.09 -0.04 2.03 1.90 1wdlC1 MET 125 HG2 -0.35 0.04 0.02 -0.04 2.63 2.30 1wdlC1 MET 125 HG3 -0.30 0.06 -0.01 -0.04 2.56 2.26 1wdlC1 MET 125 HE3 -0.31 0.04 0.17 -0.04 2.10 1.96 1wdlC1 GLY 126 H 0.16 -0.06 -0.83 -0.55 8.43 7.15 1wdlC1 GLY 126 HA2 0.05 0.15 0.61 -0.51 4.01 4.31 1wdlC1 GLY 126 HA3 0.11 0.08 0.25 -0.51 4.01 3.93 1wdlC1 HIS 127 H 0.34 0.04 0.01 -0.55 8.41 8.26 1wdlC1 HIS 127 HA -0.09 0.20 0.63 -0.75 4.63 4.61 1wdlC1 HIS 127 HB2 -0.38 -0.07 0.15 -0.04 3.26 2.91 1wdlC1 HIS 127 HB3 -0.21 -0.01 0.08 -0.04 3.20 3.01 1wdlC1 HIS 127 HD2 -0.06 0.02 -0.21 -0.04 6.97 6.68 1wdlC1 HIS 127 HE1 -0.15 -0.08 -0.51 -0.04 7.75 6.95 1wdlC1 VAL 128 H 0.10 0.40 -0.09 -0.55 8.24 8.10 1wdlC1 VAL 128 HA -0.04 0.21 0.84 -0.75 4.13 4.38 1wdlC1 VAL 128 HB 0.07 -0.11 0.19 -0.04 2.12 2.23 1wdlC1 VAL 128 HG13 0.15 0.08 0.04 -0.04 0.97 1.20 1wdlC1 VAL 128 HG23 0.04 -0.03 -0.06 -0.04 0.95 0.86 1wdlC1 SER 129 H -0.01 0.19 -0.21 -0.55 8.46 7.89 1wdlC1 SER 129 HA 0.01 0.14 0.40 -0.75 4.49 4.29 1wdlC1 SER 129 HB2 0.04 -0.08 0.13 -0.04 3.95 4.01 1wdlC1 SER 129 HB3 0.03 0.16 0.07 -0.04 3.93 4.14 1wdlC1 MET 130 H 0.04 0.10 0.21 -0.55 8.47 8.27 1wdlC1 MET 130 HA 0.16 0.16 0.53 -0.75 4.52 4.61 1wdlC1 MET 130 HB2 0.30 0.04 0.05 -0.04 2.15 2.50 1wdlC1 MET 130 HB3 0.14 -0.03 0.17 -0.04 2.03 2.25 1wdlC1 MET 130 HG2 0.07 -0.02 0.20 -0.04 2.63 2.84 1wdlC1 MET 130 HG3 0.14 -0.01 0.10 -0.04 2.56 2.75 1wdlC1 MET 130 HE3 0.27 0.00 0.00 -0.04 2.10 2.33 1wdlC1 MET 131 H 0.11 0.05 0.01 -0.55 8.47 8.09 1wdlC1 MET 131 HA 0.09 0.11 0.34 -0.75 4.52 4.31 1wdlC1 MET 131 HB2 0.08 -0.01 0.01 -0.04 2.15 2.20 1wdlC1 MET 131 HB3 0.07 0.05 0.10 -0.04 2.03 2.21 1wdlC1 MET 131 HG2 0.10 -0.08 0.07 -0.04 2.63 2.68 1wdlC1 MET 131 HG3 0.08 0.05 0.03 -0.04 2.56 2.68 1wdlC1 MET 131 HE3 0.07 0.01 0.00 -0.04 2.10 2.15 1wdlC1 HIS 132 H 0.18 0.03 -1.11 -0.55 8.41 6.97 1wdlC1 HIS 132 HA 0.03 -0.01 0.40 -0.75 4.63 4.30 1wdlC1 HIS 132 HB2 0.03 -0.11 -0.05 -0.04 3.26 3.10 1wdlC1 HIS 132 HB3 0.04 0.37 -0.06 -0.04 3.20 3.51 1wdlC1 HIS 132 HD2 0.04 -0.00 -0.13 -0.04 6.97 6.83 1wdlC1 HIS 132 HE1 0.01 0.01 -0.02 -0.04 7.75 7.70 1wdlC1 GLY 133 H -0.19 0.09 0.16 -0.55 8.43 7.94 1wdlC1 GLY 133 HA2 -0.18 0.00 0.32 -0.51 4.01 3.64 1wdlC1 GLY 133 HA3 -0.37 0.02 0.35 -0.51 4.01 3.50 1wdlC1 VAL 134 H -0.03 0.18 0.03 -0.55 8.24 7.86 1wdlC1 VAL 134 HA -0.01 0.18 0.90 -0.75 4.13 4.45 1wdlC1 VAL 134 HB 0.02 -0.01 0.04 -0.04 2.12 2.13 1wdlC1 VAL 134 HG13 0.02 -0.02 -0.12 -0.04 0.97 0.81 1wdlC1 VAL 134 HG23 0.04 0.01 -0.37 -0.04 0.95 0.59 1wdlC1 ASP 135 H -0.00 0.18 -0.01 -0.55 8.40 8.02 1wdlC1 ASP 135 HA -0.01 0.23 0.87 -0.75 4.63 4.98 1wdlC1 ASP 135 HB2 -0.01 0.02 -0.14 -0.04 2.71 2.53 1wdlC1 ASP 135 HB3 -0.01 -0.02 0.11 -0.04 2.70 2.74 1wdlC1 PRO 136 HA 0.00 -0.03 0.42 -0.51 4.44 4.31 1wdlC1 PRO 136 HB2 -0.00 0.03 0.07 -0.04 2.28 2.34 1wdlC1 PRO 136 HB3 0.01 0.01 0.01 -0.04 2.02 2.00 1wdlC1 PRO 136 HG2 0.01 0.05 0.01 -0.04 2.03 2.06 1wdlC1 PRO 136 HG3 0.02 0.01 -0.02 -0.04 2.03 1.99 1wdlC1 PRO 136 HD2 0.00 0.14 0.11 -0.04 3.68 3.88 1wdlC1 PRO 136 HD3 0.01 0.18 -0.37 -0.04 3.65 3.42 1wdlC1 ASN 137 H -0.01 0.11 0.22 -0.55 8.53 8.30 1wdlC1 ASN 137 HA -0.10 0.20 0.62 -0.75 4.76 4.72 1wdlC1 ASN 137 HB2 -0.03 0.12 0.15 -0.04 2.88 3.09 1wdlC1 ASN 137 HB3 -0.00 -0.03 0.23 -0.04 2.79 2.95 1wdlC1 ASN 137 HD21 0.19 0.05 -0.09 -0.04 7.03 7.14 1wdlC1 ASN 137 HD22 0.06 0.05 -0.00 -0.04 7.74 7.81 1wdlC1 PRO 138 HA -0.01 0.04 0.39 -0.51 4.44 4.35 1wdlC1 PRO 138 HB2 -0.11 0.02 0.06 -0.04 2.28 2.21 1wdlC1 PRO 138 HB3 -0.02 0.04 0.09 -0.04 2.02 2.10 1wdlC1 PRO 138 HG2 -0.08 0.05 0.11 -0.04 2.03 2.06 1wdlC1 PRO 138 HG3 -0.05 0.07 0.11 -0.04 2.03 2.12 1wdlC1 PRO 138 HD2 -0.29 0.04 0.25 -0.04 3.68 3.64 1wdlC1 PRO 138 HD3 -0.10 0.52 0.46 -0.04 3.65 4.48 1wdlC1 HIS 139 H -0.27 0.13 -0.30 -0.55 8.41 7.42 1wdlC1 HIS 139 HA 0.07 0.10 0.34 -0.75 4.63 4.39 1wdlC1 HIS 139 HB2 0.08 0.01 -0.03 -0.04 3.26 3.28 1wdlC1 HIS 139 HB3 0.16 0.05 0.04 -0.04 3.20 3.40 1wdlC1 HIS 139 HD2 0.04 0.01 -0.06 -0.04 6.97 6.91 1wdlC1 HIS 139 HE1 0.02 0.03 0.01 -0.04 7.75 7.77 1wdlC1 MET 140 H 0.10 0.51 -0.37 -0.55 8.47 8.16 1wdlC1 MET 140 HA 0.20 0.06 0.42 -0.75 4.52 4.44 1wdlC1 MET 140 HB2 0.06 -0.02 0.13 -0.04 2.15 2.28 1wdlC1 MET 140 HB3 0.06 0.06 0.06 -0.04 2.03 2.17 1wdlC1 MET 140 HG2 0.04 -0.03 -0.06 -0.04 2.63 2.54 1wdlC1 MET 140 HG3 0.07 0.02 -0.18 -0.04 2.56 2.43 1wdlC1 MET 140 HE3 0.01 -0.00 0.00 -0.04 2.10 2.07 1wdlC1 SER 141 H 0.08 0.40 -0.17 -0.55 8.46 8.22 1wdlC1 SER 141 HA 0.04 0.36 0.51 -0.75 4.49 4.65 1wdlC1 SER 141 HB2 0.03 0.19 0.10 -0.04 3.95 4.23 1wdlC1 SER 141 HB3 0.02 -0.06 0.15 -0.04 3.93 4.00 1wdlC1 LEU 142 H 0.10 0.38 -0.75 -0.55 8.37 7.54 1wdlC1 LEU 142 HA -0.14 0.10 0.62 -0.75 4.35 4.18 1wdlC1 LEU 142 HB2 -0.06 -0.07 0.07 -0.04 1.64 1.55 1wdlC1 LEU 142 HB3 -0.44 0.12 0.06 -0.04 1.64 1.34 1wdlC1 LEU 142 HG -0.54 0.00 0.08 -0.04 1.64 1.13 1wdlC1 LEU 142 HD13 -0.12 -0.00 0.04 -0.04 0.93 0.81 1wdlC1 LEU 142 HD23 -0.12 -0.02 0.02 -0.04 0.89 0.72 1wdlC1 TYR 143 H 0.16 0.38 -0.05 -0.55 8.29 8.23 1wdlC1 TYR 143 HA 0.01 0.19 0.90 -0.75 4.56 4.91 1wdlC1 TYR 143 HB2 0.01 0.01 0.04 -0.04 3.06 3.08 1wdlC1 TYR 143 HB3 0.01 -0.03 0.11 -0.04 2.98 3.03 1wdlC1 TYR 143 HD2 0.02 0.04 0.02 -0.04 7.15 7.19 1wdlC1 TYR 143 HE2 0.01 -0.01 -0.02 -0.04 6.85 6.78 1wdlC1 ALA 144 H 0.10 0.45 0.21 -0.55 8.40 8.61 1wdlC1 ALA 144 HA 0.04 0.05 0.52 -0.75 4.34 4.21 1wdlC1 ALA 144 HB3 0.06 0.02 -0.05 -0.04 1.41 1.39 1wdlC1 ALA 145 H 0.02 0.10 0.11 -0.55 8.40 8.09 1wdlC1 ALA 145 HA 0.01 0.14 0.50 -0.75 4.34 4.24 1wdlC1 ALA 145 HB3 0.01 0.00 0.10 -0.04 1.41 1.48 1wdlC1 LYS 146 H 0.02 0.22 0.22 -0.55 8.42 8.33 1wdlC1 LYS 146 HA 0.02 0.14 0.36 -0.75 4.32 4.08 1wdlC1 LYS 146 HB2 0.02 0.03 0.05 -0.04 1.87 1.93 1wdlC1 LYS 146 HB3 0.02 0.08 0.14 -0.04 1.79 1.99 1wdlC1 LYS 146 HG2 0.01 -0.05 0.12 -0.04 1.46 1.51 1wdlC1 LYS 146 HG3 0.02 0.00 -0.19 -0.04 1.46 1.25 1wdlC1 LYS 146 HD2 0.02 0.01 -0.03 -0.04 1.69 1.65 1wdlC1 LYS 146 HD3 0.01 0.05 0.03 -0.04 1.68 1.73 1wdlC1 LYS 146 HE2 0.01 0.00 0.02 -0.04 2.99 2.98 1wdlC1 LYS 146 HE3 0.02 -0.02 -0.02 -0.04 2.99 2.92 1wdlC1 ALA 147 H 0.01 0.11 -0.16 -0.55 8.40 7.82 1wdlC1 ALA 147 HA 0.01 0.09 0.36 -0.75 4.34 4.05 1wdlC1 ALA 147 HB3 0.00 0.03 0.04 -0.04 1.41 1.44 1wdlC1 SER 148 H 0.00 0.31 -0.62 -0.55 8.46 7.61 1wdlC1 SER 148 HA -0.02 0.07 0.22 -0.75 4.49 4.01 1wdlC1 SER 148 HB2 0.01 0.25 -0.09 -0.04 3.95 4.07 1wdlC1 SER 148 HB3 0.00 -0.11 -0.35 -0.04 3.93 3.43 1wdlC1 GLY 149 H 0.01 0.63 -0.55 -0.55 8.43 7.97 1wdlC1 GLY 149 HA2 0.01 0.01 0.47 -0.51 4.01 3.98 1wdlC1 GLY 149 HA3 0.02 0.08 0.27 -0.51 4.01 3.87 1wdlC1 MET 150 H -0.00 0.57 -0.30 -0.55 8.47 8.20 1wdlC1 MET 150 HA 0.04 0.10 0.76 -0.75 4.52 4.66 1wdlC1 MET 150 HB2 0.00 0.21 0.28 -0.04 2.15 2.60 1wdlC1 MET 150 HB3 0.02 -0.17 0.15 -0.04 2.03 1.99 1wdlC1 MET 150 HG2 0.09 0.01 0.04 -0.04 2.63 2.73 1wdlC1 MET 150 HG3 0.05 0.02 -0.10 -0.04 2.56 2.49 1wdlC1 MET 150 HE3 0.03 0.02 -0.09 -0.04 2.10 2.02 1wdlC1 MET 151 H 0.02 0.33 0.07 -0.55 8.47 8.34 1wdlC1 MET 151 HA -0.02 0.08 0.28 -0.75 4.52 4.10 1wdlC1 MET 151 HB2 0.20 -0.01 0.04 -0.04 2.15 2.35 1wdlC1 MET 151 HB3 0.28 -0.01 0.01 -0.04 2.03 2.26 1wdlC1 MET 151 HG2 0.06 0.12 0.16 -0.04 2.63 2.93 1wdlC1 MET 151 HG3 0.09 0.01 0.06 -0.04 2.56 2.67 1wdlC1 MET 151 HE3 -0.04 -0.00 -0.04 -0.04 2.10 1.97 1wdlC1 GLY 152 H -0.43 0.10 -0.35 -0.55 8.43 7.21 1wdlC1 GLY 152 HA2 -1.78 0.02 0.36 -0.51 4.01 2.10 1wdlC1 GLY 152 HA3 -2.98 0.09 0.26 -0.51 4.01 0.86 1wdlC1 LEU 153 H -0.31 0.26 -0.01 -0.55 8.37 7.77 1wdlC1 LEU 153 HA -0.13 0.02 0.41 -0.75 4.35 3.90 1wdlC1 LEU 153 HB2 -0.08 0.24 0.17 -0.04 1.64 1.93 1wdlC1 LEU 153 HB3 -0.05 -0.02 0.02 -0.04 1.64 1.55 1wdlC1 LEU 153 HG 0.02 -0.08 0.14 -0.04 1.64 1.68 1wdlC1 LEU 153 HD13 0.02 0.01 0.10 -0.04 0.93 1.01 1wdlC1 LEU 153 HD23 0.03 0.01 0.07 -0.04 0.89 0.96 1wdlC1 THR 154 H -0.21 0.35 -0.34 -0.55 8.28 7.53 1wdlC1 THR 154 HA -0.08 0.21 0.55 -0.75 4.39 4.32 1wdlC1 THR 154 HB -0.04 0.04 0.05 -0.04 4.32 4.33 1wdlC1 THR 154 HG23 -0.06 0.02 -0.05 -0.04 1.22 1.09 1wdlC1 ALA 155 H -0.43 0.48 -0.13 -0.55 8.40 7.78 1wdlC1 ALA 155 HA -0.15 -0.02 0.34 -0.75 4.34 3.76 1wdlC1 ALA 155 HB3 -0.82 0.02 0.08 -0.04 1.41 0.65 1wdlC1 GLU 156 H -0.24 0.43 -0.18 -0.55 8.60 8.07 1wdlC1 GLU 156 HA -0.06 -0.07 0.44 -0.75 4.29 3.85 1wdlC1 GLU 156 HB2 -0.08 0.23 0.22 -0.04 2.09 2.42 1wdlC1 GLU 156 HB3 -0.03 0.05 0.02 -0.04 1.99 1.99 1wdlC1 GLU 156 HG2 -0.07 -0.05 0.02 -0.04 2.34 2.20 1wdlC1 GLU 156 HG3 0.01 0.05 -0.08 -0.04 2.34 2.28 1wdlC1 MET 157 H -0.08 0.53 -0.07 -0.55 8.47 8.31 1wdlC1 MET 157 HA -0.03 0.04 0.45 -0.75 4.52 4.23 1wdlC1 MET 157 HB2 -0.04 0.00 0.12 -0.04 2.15 2.20 1wdlC1 MET 157 HB3 -0.04 0.14 0.23 -0.04 2.03 2.31 1wdlC1 MET 157 HG2 -0.02 -0.01 -0.26 -0.04 2.63 2.30 1wdlC1 MET 157 HG3 -0.02 -0.02 -0.01 -0.04 2.56 2.47 1wdlC1 MET 157 HE3 -0.02 0.00 -0.02 -0.04 2.10 2.03 1wdlC1 LEU 158 H -0.04 0.72 0.05 -0.55 8.37 8.56 1wdlC1 LEU 158 HA 0.03 0.02 0.41 -0.75 4.35 4.06 1wdlC1 LEU 158 HB2 -0.01 0.02 0.15 -0.04 1.64 1.76 1wdlC1 LEU 158 HB3 -0.01 0.05 -0.01 -0.04 1.64 1.63 1wdlC1 LEU 158 HG 0.02 0.00 0.05 -0.04 1.64 1.67 1wdlC1 LEU 158 HD13 0.10 -0.03 -0.18 -0.04 0.93 0.78 1wdlC1 LEU 158 HD23 -0.11 0.02 -0.02 -0.04 0.89 0.73 1wdlC1 GLY 159 H -0.02 0.37 -0.45 -0.55 8.43 7.78 1wdlC1 GLY 159 HA2 0.01 0.10 0.44 -0.51 4.01 4.05 1wdlC1 GLY 159 HA3 -0.01 -0.01 0.34 -0.51 4.01 3.83 1wdlC1 LYS 160 H -0.00 0.60 0.03 -0.55 8.42 8.50 1wdlC1 LYS 160 HA 0.01 -0.04 0.39 -0.75 4.32 3.92 1wdlC1 LYS 160 HB2 -0.01 0.09 0.19 -0.04 1.87 2.10 1wdlC1 LYS 160 HB3 -0.01 -0.01 0.02 -0.04 1.79 1.75 1wdlC1 LYS 160 HG2 -0.01 0.22 0.16 -0.04 1.46 1.79 1wdlC1 LYS 160 HG3 -0.01 -0.03 0.04 -0.04 1.46 1.42 1wdlC1 LYS 160 HD2 -0.00 0.01 0.03 -0.04 1.69 1.69 1wdlC1 LYS 160 HD3 0.00 -0.06 0.02 -0.04 1.68 1.60 1wdlC1 LYS 160 HE2 0.00 -0.09 0.03 -0.04 2.99 2.89 1wdlC1 LYS 160 HE3 0.00 0.06 0.03 -0.04 2.99 3.04 1wdlC1 MET 161 H 0.02 0.43 -0.22 -0.55 8.47 8.16 1wdlC1 MET 161 HA -0.05 0.01 0.36 -0.75 4.52 4.09 1wdlC1 MET 161 HB2 0.10 0.10 0.14 -0.04 2.15 2.45 1wdlC1 MET 161 HB3 -0.13 -0.03 0.01 -0.04 2.03 1.83 1wdlC1 MET 161 HG2 -0.05 -0.05 0.03 -0.04 2.63 2.53 1wdlC1 MET 161 HG3 -0.01 0.30 0.11 -0.04 2.56 2.93 1wdlC1 MET 161 HE3 -0.09 -0.00 -0.02 -0.04 2.10 1.94 1wdlC1 HIS 162 H 0.23 0.41 -0.11 -0.55 8.41 8.40 1wdlC1 HIS 162 HA -0.02 0.09 0.59 -0.75 4.63 4.54 1wdlC1 HIS 162 HB2 -0.01 0.06 0.06 -0.04 3.26 3.33 1wdlC1 HIS 162 HB3 -0.00 -0.05 0.07 -0.04 3.20 3.17 1wdlC1 HIS 162 HD2 -0.05 0.26 0.12 -0.04 6.97 7.26 1wdlC1 HIS 162 HE1 0.12 -0.01 -0.03 -0.04 7.75 7.78 1wdlC1 GLY 163 H 0.05 0.30 -0.51 -0.55 8.43 7.72 1wdlC1 GLY 163 HA2 0.02 -0.01 0.30 -0.51 4.01 3.81 1wdlC1 GLY 163 HA3 0.02 0.02 0.36 -0.51 4.01 3.89 1wdlC1 ILE 164 H 0.02 0.27 -0.03 -0.55 8.25 7.96 1wdlC1 ILE 164 HA 0.01 0.18 0.88 -0.75 4.18 4.50 1wdlC1 ILE 164 HB 0.01 -0.05 0.06 -0.04 1.89 1.86 1wdlC1 ILE 164 HG12 -0.04 -0.05 -0.12 -0.04 1.49 1.23 1wdlC1 ILE 164 HG13 -0.00 0.08 -0.20 -0.04 1.21 1.05 1wdlC1 ILE 164 HG23 -0.01 -0.01 -0.25 -0.04 0.93 0.62 1wdlC1 ILE 164 HD13 0.05 -0.02 -0.40 -0.04 0.88 0.47 1wdlC1 SER 165 H 0.02 0.19 0.09 -0.55 8.46 8.21 1wdlC1 SER 165 HA 0.02 0.19 0.46 -0.75 4.49 4.40 1wdlC1 SER 165 HB2 0.02 -0.01 0.12 -0.04 3.95 4.04 1wdlC1 SER 165 HB3 0.02 0.18 0.09 -0.04 3.93 4.17 1wdlC1 ARG 166 H 0.02 0.26 0.16 -0.55 8.46 8.35 1wdlC1 ARG 166 HA 0.04 0.06 0.39 -0.75 4.34 4.08 1wdlC1 ARG 166 HB2 0.03 0.09 0.18 -0.04 1.90 2.15 1wdlC1 ARG 166 HB3 0.03 -0.01 0.15 -0.04 1.80 1.93 1wdlC1 ARG 166 HG2 0.03 0.12 0.03 -0.04 1.67 1.81 1wdlC1 ARG 166 HG3 0.04 -0.03 -0.23 -0.04 1.67 1.41 1wdlC1 ARG 166 HD2 0.05 -0.17 0.16 -0.04 3.22 3.23 1wdlC1 ARG 166 HD3 0.04 0.05 0.14 -0.04 3.22 3.41 1wdlC1 GLU 167 H 0.03 0.09 -0.26 -0.55 8.60 7.91 1wdlC1 GLU 167 HA 0.04 0.10 0.42 -0.75 4.29 4.10 1wdlC1 GLU 167 HB2 0.03 -0.02 0.03 -0.04 2.09 2.09 1wdlC1 GLU 167 HB3 0.03 0.06 -0.00 -0.04 1.99 2.04 1wdlC1 GLU 167 HG2 0.03 0.06 0.01 -0.04 2.34 2.40 1wdlC1 GLU 167 HG3 0.02 -0.08 0.05 -0.04 2.34 2.29 1wdlC1 GLN 168 H 0.04 0.06 -0.23 -0.55 8.47 7.79 1wdlC1 GLN 168 HA 0.05 0.08 0.35 -0.75 4.36 4.08 1wdlC1 GLN 168 HB2 0.02 0.09 0.09 -0.04 2.15 2.32 1wdlC1 GLN 168 HB3 0.01 0.04 -0.04 -0.04 2.02 1.99 1wdlC1 GLN 168 HG2 0.03 0.06 0.04 -0.04 2.40 2.49 1wdlC1 GLN 168 HG3 0.03 -0.08 0.06 -0.04 2.39 2.36 1wdlC1 GLN 168 HE21 0.01 0.15 0.05 -0.04 6.97 7.14 1wdlC1 GLN 168 HE22 0.01 -0.01 0.02 -0.04 7.69 7.67 1wdlC1 GLN 169 H 0.05 0.45 -0.35 -0.55 8.47 8.08 1wdlC1 GLN 169 HA 0.10 0.05 0.42 -0.75 4.36 4.17 1wdlC1 GLN 169 HB2 0.07 0.16 0.07 -0.04 2.15 2.42 1wdlC1 GLN 169 HB3 0.11 -0.13 -0.06 -0.04 2.02 1.90 1wdlC1 GLN 169 HG2 0.03 -0.04 -0.38 -0.04 2.40 1.97 1wdlC1 GLN 169 HG3 0.03 0.18 -0.26 -0.04 2.39 2.31 1wdlC1 GLN 169 HE21 0.07 -0.07 -0.17 -0.04 6.97 6.76 1wdlC1 GLN 169 HE22 0.11 -0.12 -0.06 -0.04 7.69 7.57 1wdlC1 ASP 170 H 0.08 0.63 0.02 -0.55 8.40 8.58 1wdlC1 ASP 170 HA 0.11 -0.02 0.35 -0.75 4.63 4.31 1wdlC1 ASP 170 HB2 0.06 0.09 0.15 -0.04 2.71 2.97 1wdlC1 ASP 170 HB3 0.06 -0.06 -0.01 -0.04 2.70 2.65 1wdlC1 ALA 171 H 0.09 0.64 -0.30 -0.55 8.40 8.29 1wdlC1 ALA 171 HA 0.07 -0.02 0.38 -0.75 4.34 4.02 1wdlC1 ALA 171 HB3 0.08 0.04 0.06 -0.04 1.41 1.55 1wdlC1 PHE 172 H 0.24 0.36 -0.37 -0.55 8.34 8.01 1wdlC1 PHE 172 HA 0.03 0.07 0.47 -0.75 4.62 4.43 1wdlC1 PHE 172 HB2 0.03 0.14 0.20 -0.04 3.15 3.48 1wdlC1 PHE 172 HB3 0.04 0.05 0.20 -0.04 3.06 3.31 1wdlC1 PHE 172 HD2 0.02 -0.00 -0.02 -0.04 7.28 7.24 1wdlC1 PHE 172 HE2 0.01 -0.01 -0.07 -0.04 7.38 7.26 1wdlC1 PHE 172 HZ 0.00 0.04 -0.09 -0.04 7.32 7.23 1wdlC1 ALA 173 H 0.17 0.45 -0.07 -0.55 8.40 8.41 1wdlC1 ALA 173 HA -0.04 -0.06 0.38 -0.75 4.34 3.87 1wdlC1 ALA 173 HB3 0.14 0.04 0.06 -0.04 1.41 1.61 1wdlC1 VAL 174 H 0.08 0.47 -0.27 -0.55 8.24 7.97 1wdlC1 VAL 174 HA 0.12 0.08 0.39 -0.75 4.13 3.96 1wdlC1 VAL 174 HB 0.05 0.14 0.11 -0.04 2.12 2.38 1wdlC1 VAL 174 HG13 0.03 0.05 0.00 -0.04 0.97 1.01 1wdlC1 VAL 174 HG23 0.05 0.07 -0.13 -0.04 0.95 0.90 1wdlC1 ARG 175 H -0.01 0.43 -0.19 -0.55 8.46 8.13 1wdlC1 ARG 175 HA -0.01 0.02 0.41 -0.75 4.34 4.01 1wdlC1 ARG 175 HB2 -0.01 0.01 0.14 -0.04 1.90 2.00 1wdlC1 ARG 175 HB3 -0.17 0.14 0.23 -0.04 1.80 1.96 1wdlC1 ARG 175 HG2 -0.13 -0.01 -0.31 -0.04 1.67 1.18 1wdlC1 ARG 175 HG3 -0.03 -0.00 0.03 -0.04 1.67 1.63 1wdlC1 ARG 175 HD2 0.06 -0.04 -0.01 -0.04 3.22 3.19 1wdlC1 ARG 175 HD3 -0.25 -0.05 -0.00 -0.04 3.22 2.88 1wdlC1 SER 176 H -0.22 0.46 -0.26 -0.55 8.46 7.90 1wdlC1 SER 176 HA -0.17 0.04 0.46 -0.75 4.49 4.07 1wdlC1 SER 176 HB2 -0.41 0.05 0.09 -0.04 3.95 3.64 1wdlC1 SER 176 HB3 -0.27 0.22 0.17 -0.04 3.93 4.00 1wdlC1 HIS 177 H -0.03 0.63 0.01 -0.55 8.41 8.48 1wdlC1 HIS 177 HA 0.03 -0.06 0.42 -0.75 4.63 4.27 1wdlC1 HIS 177 HB2 -0.00 0.13 0.22 -0.04 3.26 3.57 1wdlC1 HIS 177 HB3 0.00 0.03 -0.06 -0.04 3.20 3.12 1wdlC1 HIS 177 HD2 0.01 0.04 -0.11 -0.04 6.97 6.86 1wdlC1 HIS 177 HE1 0.02 0.19 0.12 -0.04 7.75 8.04 1wdlC1 GLN 178 H 0.10 0.74 -0.03 -0.55 8.47 8.74 1wdlC1 GLN 178 HA 0.09 -0.01 0.41 -0.75 4.36 4.10 1wdlC1 GLN 178 HB2 0.05 0.11 0.16 -0.04 2.15 2.42 1wdlC1 GLN 178 HB3 0.03 0.04 0.16 -0.04 2.02 2.21 1wdlC1 GLN 178 HG2 0.04 0.01 -0.12 -0.04 2.40 2.28 1wdlC1 GLN 178 HG3 0.05 -0.03 0.06 -0.04 2.39 2.42 1wdlC1 GLN 178 HE21 0.02 -0.03 -0.01 -0.04 6.97 6.91 1wdlC1 GLN 178 HE22 0.03 0.03 -0.03 -0.04 7.69 7.68 1wdlC1 LEU 179 H 0.02 0.62 -0.16 -0.55 8.37 8.30 1wdlC1 LEU 179 HA 0.03 0.03 0.43 -0.75 4.35 4.08 1wdlC1 LEU 179 HB2 -0.01 0.04 0.07 -0.04 1.64 1.70 1wdlC1 LEU 179 HB3 0.03 0.03 -0.19 -0.04 1.64 1.47 1wdlC1 LEU 179 HG 0.00 -0.00 0.11 -0.04 1.64 1.70 1wdlC1 LEU 179 HD13 -0.02 -0.03 -0.01 -0.04 0.93 0.83 1wdlC1 LEU 179 HD23 0.02 0.01 0.03 -0.04 0.89 0.91 1wdlC1 ALA 180 H 0.07 0.37 -0.44 -0.55 8.40 7.85 1wdlC1 ALA 180 HA 0.13 0.33 0.41 -0.75 4.34 4.46 1wdlC1 ALA 180 HB3 0.14 -0.04 0.09 -0.04 1.41 1.55 1wdlC1 HIS 181 H 0.19 0.66 0.02 -0.55 8.41 8.74 1wdlC1 HIS 181 HA 0.06 -0.01 0.41 -0.75 4.63 4.34 1wdlC1 HIS 181 HB2 0.06 -0.03 0.10 -0.04 3.26 3.35 1wdlC1 HIS 181 HB3 0.03 0.15 0.18 -0.04 3.20 3.51 1wdlC1 HIS 181 HD2 0.00 0.04 -0.06 -0.04 6.97 6.91 1wdlC1 HIS 181 HE1 -0.02 -0.00 -0.00 -0.04 7.75 7.68 1wdlC1 LYS 182 H 0.05 0.53 -0.14 -0.55 8.42 8.31 1wdlC1 LYS 182 HA -0.14 -0.01 0.39 -0.75 4.32 3.81 1wdlC1 LYS 182 HB2 0.01 0.05 0.13 -0.04 1.87 2.02 1wdlC1 LYS 182 HB3 -0.02 0.11 0.14 -0.04 1.79 1.98 1wdlC1 LYS 182 HG2 -0.06 0.03 -0.16 -0.04 1.46 1.22 1wdlC1 LYS 182 HG3 -0.05 -0.06 0.03 -0.04 1.46 1.34 1wdlC1 LYS 182 HD2 0.01 -0.04 0.00 -0.04 1.69 1.62 1wdlC1 LYS 182 HD3 0.00 0.06 0.01 -0.04 1.68 1.71 1wdlC1 LYS 182 HE2 -0.01 -0.04 -0.01 -0.04 2.99 2.89 1wdlC1 LYS 182 HE3 0.00 -0.01 -0.00 -0.04 2.99 2.94 1wdlC1 ALA 183 H -0.14 0.52 -0.18 -0.55 8.40 8.05 1wdlC1 ALA 183 HA -0.38 0.01 0.35 -0.75 4.34 3.56 1wdlC1 ALA 183 HB3 -0.81 0.07 0.11 -0.04 1.41 0.74 1wdlC1 THR 184 H -0.17 0.46 -0.42 -0.55 8.28 7.60 1wdlC1 THR 184 HA 0.06 -0.04 0.44 -0.75 4.39 4.10 1wdlC1 THR 184 HB -0.02 0.13 0.23 -0.04 4.32 4.62 1wdlC1 THR 184 HG23 0.16 -0.03 -0.04 -0.04 1.22 1.26 1wdlC1 VAL 185 H -0.25 0.73 0.13 -0.55 8.24 8.31 1wdlC1 VAL 185 HA -0.11 -0.00 0.43 -0.75 4.13 3.69 1wdlC1 VAL 185 HB -0.23 0.06 0.16 -0.04 2.12 2.07 1wdlC1 VAL 185 HG13 -0.10 -0.02 -0.06 -0.04 0.97 0.75 1wdlC1 VAL 185 HG23 -0.57 0.05 0.06 -0.04 0.95 0.45 1wdlC1 GLU 186 H -0.15 0.76 -0.05 -0.55 8.60 8.61 1wdlC1 GLU 186 HA -0.07 0.04 0.46 -0.75 4.29 3.96 1wdlC1 GLU 186 HB2 -0.14 -0.00 0.02 -0.04 2.09 1.92 1wdlC1 GLU 186 HB3 -0.08 -0.02 0.11 -0.04 1.99 1.95 1wdlC1 GLU 186 HG2 -0.07 -0.06 0.02 -0.04 2.34 2.19 1wdlC1 GLU 186 HG3 -0.11 0.20 0.10 -0.04 2.34 2.49 1wdlC1 GLY 187 H -0.10 0.33 -0.71 -0.55 8.43 7.41 1wdlC1 GLY 187 HA2 -0.03 0.02 0.38 -0.51 4.01 3.88 1wdlC1 GLY 187 HA3 -0.04 0.12 0.57 -0.51 4.01 4.14 1wdlC1 LYS 188 H -0.25 0.58 0.02 -0.55 8.42 8.21 1wdlC1 LYS 188 HA -0.15 0.13 0.51 -0.75 4.32 4.06 1wdlC1 LYS 188 HB2 -0.78 -0.03 0.09 -0.04 1.87 1.10 1wdlC1 LYS 188 HB3 -0.48 -0.01 0.13 -0.04 1.79 1.40 1wdlC1 LYS 188 HG2 -0.24 -0.02 -0.05 -0.04 1.46 1.12 1wdlC1 LYS 188 HG3 -0.23 -0.01 -0.00 -0.04 1.46 1.18 1wdlC1 LYS 188 HD2 -0.10 0.01 -0.02 -0.04 1.69 1.55 1wdlC1 LYS 188 HD3 -0.11 0.04 -0.24 -0.04 1.68 1.32 1wdlC1 LYS 188 HE2 -0.08 0.01 -0.06 -0.04 2.99 2.82 1wdlC1 LYS 188 HE3 -0.06 -0.03 -0.03 -0.04 2.99 2.83 1wdlC1 PHE 189 H -0.00 -0.01 -0.64 -0.55 8.34 7.14 1wdlC1 PHE 189 HA -0.04 0.16 0.83 -0.75 4.62 4.81 1wdlC1 PHE 189 HB2 -0.04 0.06 -0.02 -0.04 3.15 3.11 1wdlC1 PHE 189 HB3 -0.01 -0.02 -0.02 -0.04 3.06 2.97 1wdlC1 PHE 189 HD2 -0.02 0.03 -0.02 -0.04 7.28 7.23 1wdlC1 PHE 189 HE2 0.04 -0.01 -0.05 -0.04 7.38 7.32 1wdlC1 PHE 189 HZ 0.06 0.12 -0.02 -0.04 7.32 7.43 1wdlC1 LYS 190 H 0.06 0.20 -0.07 -0.55 8.42 8.06 1wdlC1 LYS 190 HA 0.06 0.09 0.39 -0.75 4.32 4.11 1wdlC1 LYS 190 HB2 0.03 -0.04 0.21 -0.04 1.87 2.03 1wdlC1 LYS 190 HB3 0.02 0.09 0.14 -0.04 1.79 2.01 1wdlC1 LYS 190 HG2 0.02 0.03 -0.09 -0.04 1.46 1.38 1wdlC1 LYS 190 HG3 0.02 -0.01 0.11 -0.04 1.46 1.55 1wdlC1 LYS 190 HD2 0.01 -0.02 0.07 -0.04 1.69 1.71 1wdlC1 LYS 190 HD3 0.00 0.03 0.04 -0.04 1.68 1.72 1wdlC1 LYS 190 HE2 0.01 -0.02 0.03 -0.04 2.99 2.97 1wdlC1 LYS 190 HE3 0.00 -0.03 0.03 -0.04 2.99 2.95 1wdlC1 ASP 191 H 0.06 0.05 -0.36 -0.55 8.40 7.60 1wdlC1 ASP 191 HA 0.02 0.15 0.56 -0.75 4.63 4.62 1wdlC1 ASP 191 HB2 0.06 -0.04 0.00 -0.04 2.71 2.69 1wdlC1 ASP 191 HB3 0.04 0.04 -0.01 -0.04 2.70 2.73 1wdlC1 GLU 192 H 0.09 0.03 -0.16 -0.55 8.60 8.02 1wdlC1 GLU 192 HA -0.05 0.30 0.69 -0.75 4.29 4.48 1wdlC1 GLU 192 HB2 0.08 -0.13 -0.07 -0.04 2.09 1.93 1wdlC1 GLU 192 HB3 0.25 0.01 -0.02 -0.04 1.99 2.19 1wdlC1 GLU 192 HG2 0.17 0.06 0.13 -0.04 2.34 2.66 1wdlC1 GLU 192 HG3 -0.00 -0.04 -0.09 -0.04 2.34 2.16 1wdlC1 ILE 193 H 0.01 0.57 -0.03 -0.55 8.25 8.24 1wdlC1 ILE 193 HA -0.11 0.08 0.52 -0.75 4.18 3.92 1wdlC1 ILE 193 HB 0.01 0.08 -0.01 -0.04 1.89 1.92 1wdlC1 ILE 193 HG12 -0.20 -0.05 -0.21 -0.04 1.49 0.99 1wdlC1 ILE 193 HG13 -0.10 0.06 0.00 -0.04 1.21 1.13 1wdlC1 ILE 193 HG23 -0.04 -0.03 -0.47 -0.04 0.93 0.36 1wdlC1 ILE 193 HD13 -0.17 -0.04 -0.17 -0.04 0.88 0.46 1wdlC1 ILE 194 H -0.07 0.68 0.30 -0.55 8.25 8.60 1wdlC1 ILE 194 HA -0.03 0.19 0.68 -0.75 4.18 4.27 1wdlC1 ILE 194 HB -0.04 -0.07 0.08 -0.04 1.89 1.82 1wdlC1 ILE 194 HG12 -0.11 0.06 -0.03 -0.04 1.49 1.38 1wdlC1 ILE 194 HG13 -0.08 -0.10 -0.08 -0.04 1.21 0.91 1wdlC1 ILE 194 HG23 -0.04 0.03 -0.13 -0.04 0.93 0.75 1wdlC1 ILE 194 HD13 -0.05 0.03 -0.10 -0.04 0.88 0.71 1wdlC1 PRO 195 HA 0.03 0.12 0.43 -0.51 4.44 4.51 1wdlC1 PRO 195 HB2 0.03 -0.04 0.01 -0.04 2.28 2.24 1wdlC1 PRO 195 HB3 0.02 -0.04 -0.03 -0.04 2.02 1.93 1wdlC1 PRO 195 HG2 0.01 0.00 0.07 -0.04 2.03 2.07 1wdlC1 PRO 195 HG3 0.02 0.04 0.07 -0.04 2.03 2.12 1wdlC1 PRO 195 HD2 0.00 0.04 0.20 -0.04 3.68 3.88 1wdlC1 PRO 195 HD3 0.00 0.47 0.34 -0.04 3.65 4.42 1wdlC1 MET 196 H 0.06 0.46 0.31 -0.55 8.47 8.76 1wdlC1 MET 196 HA 0.12 0.08 0.81 -0.75 4.52 4.77 1wdlC1 MET 196 HB2 0.12 0.24 -0.15 -0.04 2.15 2.32 1wdlC1 MET 196 HB3 0.14 -0.07 0.11 -0.04 2.03 2.17 1wdlC1 MET 196 HG2 0.12 0.13 -0.02 -0.04 2.63 2.83 1wdlC1 MET 196 HG3 0.18 -0.02 0.09 -0.04 2.56 2.77 1wdlC1 MET 196 HE3 0.20 0.05 -0.02 -0.04 2.10 2.29 1wdlC1 GLN 197 H 0.00 0.12 0.13 -0.55 8.47 8.18 1wdlC1 GLN 197 HA -0.00 0.03 0.41 -0.75 4.36 4.05 1wdlC1 GLN 197 HB2 -0.06 -0.02 0.07 -0.04 2.15 2.10 1wdlC1 GLN 197 HB3 -0.10 0.03 0.02 -0.04 2.02 1.93 1wdlC1 GLN 197 HG2 -0.05 -0.01 -0.05 -0.04 2.40 2.24 1wdlC1 GLN 197 HG3 -0.04 0.00 0.04 -0.04 2.39 2.35 1wdlC1 GLN 197 HE21 -0.04 0.01 -0.02 -0.04 6.97 6.88 1wdlC1 GLN 197 HE22 -0.03 0.02 -0.03 -0.04 7.69 7.61 1wdlC1 GLY 198 H 0.00 0.49 0.40 -0.55 8.43 8.77 1wdlC1 GLY 198 HA2 0.10 0.07 0.57 -0.51 4.01 4.23 1wdlC1 GLY 198 HA3 0.08 0.02 0.44 -0.51 4.01 4.04 1wdlC1 TYR 199 H 0.20 0.35 0.28 -0.55 8.29 8.57 1wdlC1 TYR 199 HA 0.21 0.40 1.09 -0.75 4.56 5.50 1wdlC1 TYR 199 HB2 0.06 -0.08 0.04 -0.04 3.06 3.04 1wdlC1 TYR 199 HB3 0.10 -0.01 -0.09 -0.04 2.98 2.94 1wdlC1 TYR 199 HD2 0.05 0.11 -0.28 -0.04 7.15 6.99 1wdlC1 TYR 199 HE2 0.02 -0.00 -0.12 -0.04 6.85 6.71 1wdlC1 ASP 200 H 0.30 0.33 0.11 -0.55 8.40 8.59 1wdlC1 ASP 200 HA 0.32 0.13 0.49 -0.75 4.63 4.81 1wdlC1 ASP 200 HB2 0.13 -0.05 0.13 -0.04 2.71 2.89 1wdlC1 ASP 200 HB3 0.20 0.09 0.03 -0.04 2.70 2.98 1wdlC1 GLU 201 H 0.11 0.15 0.14 -0.55 8.60 8.45 1wdlC1 GLU 201 HA 0.07 0.18 0.34 -0.75 4.29 4.13 1wdlC1 GLU 201 HB2 0.04 0.02 -0.01 -0.04 2.09 2.10 1wdlC1 GLU 201 HB3 0.04 0.06 0.15 -0.04 1.99 2.20 1wdlC1 GLU 201 HG2 0.04 0.04 0.05 -0.04 2.34 2.43 1wdlC1 GLU 201 HG3 0.07 0.01 0.12 -0.04 2.34 2.50 1wdlC1 ASN 202 H 0.12 -0.08 -0.86 -0.55 8.53 7.17 1wdlC1 ASN 202 HA 0.11 0.27 0.87 -0.75 4.76 5.26 1wdlC1 ASN 202 HB2 -0.04 -0.04 -0.05 -0.04 2.88 2.71 1wdlC1 ASN 202 HB3 0.05 -0.07 -0.00 -0.04 2.79 2.73 1wdlC1 ASN 202 HD21 0.22 0.01 0.05 -0.04 7.03 7.27 1wdlC1 ASN 202 HD22 0.39 0.01 0.23 -0.04 7.74 8.34 1wdlC1 GLY 203 H 0.20 0.64 -0.11 -0.55 8.43 8.61 1wdlC1 GLY 203 HA2 0.19 0.04 0.26 -0.51 4.01 3.99 1wdlC1 GLY 203 HA3 0.15 0.09 0.43 -0.51 4.01 4.17 1wdlC1 PHE 204 H 0.51 -0.13 -0.55 -0.55 8.34 7.62 1wdlC1 PHE 204 HA 0.08 0.13 0.47 -0.75 4.62 4.55 1wdlC1 PHE 204 HB2 0.05 -0.16 -0.01 -0.04 3.15 2.98 1wdlC1 PHE 204 HB3 0.00 0.10 -0.07 -0.04 3.06 3.06 1wdlC1 PHE 204 HD2 0.03 0.07 -0.11 -0.04 7.28 7.23 1wdlC1 PHE 204 HE2 0.01 0.02 0.00 -0.04 7.38 7.38 1wdlC1 PHE 204 HZ 0.01 -0.00 -0.00 -0.04 7.32 7.28 1wdlC1 LEU 205 H 0.01 0.14 0.19 -0.55 8.37 8.16 1wdlC1 LEU 205 HA -0.41 0.33 0.95 -0.75 4.35 4.47 1wdlC1 LEU 205 HB2 -0.19 0.03 0.09 -0.04 1.64 1.53 1wdlC1 LEU 205 HB3 -0.10 -0.04 0.18 -0.04 1.64 1.63 1wdlC1 LEU 205 HG -0.17 -0.03 -0.21 -0.04 1.64 1.19 1wdlC1 LEU 205 HD13 -0.56 0.08 0.06 -0.04 0.93 0.46 1wdlC1 LEU 205 HD23 -0.08 -0.01 -0.02 -0.04 0.89 0.74 1wdlC1 LYS 206 H -0.19 0.66 0.36 -0.55 8.42 8.70 1wdlC1 LYS 206 HA -0.14 0.08 0.50 -0.75 4.32 4.01 1wdlC1 LYS 206 HB2 -0.31 0.05 -0.03 -0.04 1.87 1.54 1wdlC1 LYS 206 HB3 -0.12 0.12 -0.03 -0.04 1.79 1.72 1wdlC1 LYS 206 HG2 -0.07 -0.04 -0.46 -0.04 1.46 0.85 1wdlC1 LYS 206 HG3 -0.63 -0.01 -0.28 -0.04 1.46 0.50 1wdlC1 LYS 206 HD2 -0.10 0.05 -0.15 -0.04 1.69 1.45 1wdlC1 LYS 206 HD3 -0.05 -0.13 -0.14 -0.04 1.68 1.32 1wdlC1 LYS 206 HE2 -0.14 -0.01 -0.09 -0.04 2.99 2.71 1wdlC1 LYS 206 HE3 -0.56 -0.05 -0.17 -0.04 2.99 2.17 1wdlC1 ILE 207 H -0.18 0.17 0.10 -0.55 8.25 7.80 1wdlC1 ILE 207 HA -0.05 0.19 0.77 -0.75 4.18 4.34 1wdlC1 ILE 207 HB -0.07 -0.00 0.05 -0.04 1.89 1.82 1wdlC1 ILE 207 HG12 -0.03 -0.03 -0.22 -0.04 1.49 1.17 1wdlC1 ILE 207 HG13 -0.07 -0.08 -0.09 -0.04 1.21 0.93 1wdlC1 ILE 207 HG23 0.01 0.01 -0.34 -0.04 0.93 0.57 1wdlC1 ILE 207 HD13 -0.01 0.03 -0.10 -0.04 0.88 0.76 1wdlC1 PHE 208 H 0.22 0.58 0.28 -0.55 8.34 8.87 1wdlC1 PHE 208 HA -0.11 0.12 0.79 -0.75 4.62 4.66 1wdlC1 PHE 208 HB2 -0.30 0.09 0.08 -0.04 3.15 2.99 1wdlC1 PHE 208 HB3 -0.73 -0.09 0.04 -0.04 3.06 2.25 1wdlC1 PHE 208 HD2 -0.22 0.09 -0.02 -0.04 7.28 7.09 1wdlC1 PHE 208 HE2 -0.02 -0.07 -0.25 -0.04 7.38 7.01 1wdlC1 PHE 208 HZ -0.00 -0.07 -0.52 -0.04 7.32 6.69 1wdlC1 ASP 209 H 0.03 0.10 0.10 -0.55 8.40 8.08 1wdlC1 ASP 209 HA 0.01 0.21 0.65 -0.75 4.63 4.75 1wdlC1 ASP 209 HB2 0.05 0.12 0.11 -0.04 2.71 2.95 1wdlC1 ASP 209 HB3 0.04 0.00 -0.20 -0.04 2.70 2.50 1wdlC1 TYR 210 H -0.37 0.08 0.04 -0.55 8.29 7.49 1wdlC1 TYR 210 HA 0.06 0.25 0.71 -0.75 4.56 4.83 1wdlC1 TYR 210 HB2 0.09 -0.01 0.07 -0.04 3.06 3.17 1wdlC1 TYR 210 HB3 0.07 0.11 -0.14 -0.04 2.98 2.98 1wdlC1 TYR 210 HD2 0.08 0.03 -0.34 -0.04 7.15 6.87 1wdlC1 TYR 210 HE2 0.09 0.02 -0.09 -0.04 6.85 6.83 1wdlC1 ASP 211 H 0.30 0.23 0.08 -0.55 8.40 8.46 1wdlC1 ASP 211 HA 0.00 0.23 0.97 -0.75 4.63 5.08 1wdlC1 ASP 211 HB2 0.12 0.01 0.17 -0.04 2.71 2.97 1wdlC1 ASP 211 HB3 0.04 0.02 0.10 -0.04 2.70 2.82 1wdlC1 GLU 212 H -0.00 0.28 0.15 -0.55 8.60 8.49 1wdlC1 GLU 212 HA 0.27 0.08 0.35 -0.75 4.29 4.24 1wdlC1 GLU 212 HB2 -0.02 -0.21 0.26 -0.04 2.09 2.07 1wdlC1 GLU 212 HB3 0.04 0.04 0.06 -0.04 1.99 2.09 1wdlC1 GLU 212 HG2 0.13 0.08 0.04 -0.04 2.34 2.54 1wdlC1 GLU 212 HG3 -0.22 0.08 0.09 -0.04 2.34 2.26 1wdlC1 THR 213 H 0.04 0.17 -0.24 -0.55 8.28 7.70 1wdlC1 THR 213 HA 0.06 -0.08 0.23 -0.75 4.39 3.85 1wdlC1 THR 213 HB 0.06 0.00 -0.31 -0.04 4.32 4.03 1wdlC1 THR 213 HG23 0.01 -0.05 -0.38 -0.04 1.22 0.76 1wdlC1 ILE 214 H 0.13 0.14 -0.30 -0.55 8.25 7.67 1wdlC1 ILE 214 HA 0.25 -0.06 0.44 -0.75 4.18 4.05 1wdlC1 ILE 214 HB 0.17 0.04 0.06 -0.04 1.89 2.12 1wdlC1 ILE 214 HG12 0.15 -0.03 -0.10 -0.04 1.49 1.46 1wdlC1 ILE 214 HG13 0.14 -0.01 0.07 -0.04 1.21 1.37 1wdlC1 ILE 214 HG23 0.21 -0.04 -0.08 -0.04 0.93 0.98 1wdlC1 ILE 214 HD13 0.22 -0.02 -0.09 -0.04 0.88 0.96 1wdlC1 ARG 215 H 0.33 0.08 0.14 -0.55 8.46 8.46 1wdlC1 ARG 215 HA -0.05 0.23 0.91 -0.75 4.34 4.67 1wdlC1 ARG 215 HB2 -0.12 0.16 0.06 -0.04 1.90 1.96 1wdlC1 ARG 215 HB3 -0.42 -0.13 0.23 -0.04 1.80 1.44 1wdlC1 ARG 215 HG2 -0.09 -0.04 0.01 -0.04 1.67 1.51 1wdlC1 ARG 215 HG3 -0.10 -0.13 0.01 -0.04 1.67 1.40 1wdlC1 ARG 215 HD2 -0.02 0.17 0.15 -0.04 3.22 3.48 1wdlC1 ARG 215 HD3 -0.00 0.10 -0.06 -0.04 3.22 3.22 1wdlC1 PRO 216 HA -0.12 0.09 0.38 -0.51 4.44 4.28 1wdlC1 PRO 216 HB2 -0.28 0.01 0.01 -0.04 2.28 1.98 1wdlC1 PRO 216 HB3 -0.57 0.06 0.06 -0.04 2.02 1.53 1wdlC1 PRO 216 HG2 -0.48 0.07 0.03 -0.04 2.03 1.61 1wdlC1 PRO 216 HG3 -0.42 0.03 0.01 -0.04 2.03 1.61 1wdlC1 PRO 216 HD2 -0.12 0.10 0.15 -0.04 3.68 3.77 1wdlC1 PRO 216 HD3 -0.03 0.28 -0.28 -0.04 3.65 3.58 1wdlC1 ASP 217 H -0.12 0.11 -0.29 -0.55 8.40 7.55 1wdlC1 ASP 217 HA -0.08 0.13 0.42 -0.75 4.63 4.34 1wdlC1 ASP 217 HB2 -0.06 -0.02 0.10 -0.04 2.71 2.69 1wdlC1 ASP 217 HB3 -0.07 0.02 0.05 -0.04 2.70 2.66 1wdlC1 THR 218 H -0.17 0.42 -0.52 -0.55 8.28 7.46 1wdlC1 THR 218 HA -0.10 -0.05 0.42 -0.75 4.39 3.90 1wdlC1 THR 218 HB -0.23 0.03 0.18 -0.04 4.32 4.26 1wdlC1 THR 218 HG23 -0.00 -0.03 -0.18 -0.04 1.22 0.97 1wdlC1 THR 219 H -0.03 0.09 0.32 -0.55 8.28 8.11 1wdlC1 THR 219 HA 0.00 0.30 0.94 -0.75 4.39 4.87 1wdlC1 THR 219 HB -0.00 -0.11 0.17 -0.04 4.32 4.34 1wdlC1 THR 219 HG23 -0.02 0.11 -0.11 -0.04 1.22 1.16 1wdlC1 LEU 220 H 0.02 0.26 0.16 -0.55 8.37 8.26 1wdlC1 LEU 220 HA 0.03 0.07 0.36 -0.75 4.35 4.06 1wdlC1 LEU 220 HB2 0.02 0.02 0.14 -0.04 1.64 1.78 1wdlC1 LEU 220 HB3 0.02 0.05 -0.03 -0.04 1.64 1.64 1wdlC1 LEU 220 HG 0.04 0.03 0.02 -0.04 1.64 1.68 1wdlC1 LEU 220 HD13 0.03 0.02 0.01 -0.04 0.93 0.95 1wdlC1 LEU 220 HD23 0.04 -0.00 -0.06 -0.04 0.89 0.84 1wdlC1 GLU 221 H 0.01 0.07 -0.26 -0.55 8.60 7.88 1wdlC1 GLU 221 HA 0.01 0.14 0.43 -0.75 4.29 4.11 1wdlC1 GLU 221 HB2 0.00 -0.04 0.07 -0.04 2.09 2.08 1wdlC1 GLU 221 HB3 0.00 0.08 -0.04 -0.04 1.99 2.00 1wdlC1 GLU 221 HG2 0.00 0.07 0.01 -0.04 2.34 2.38 1wdlC1 GLU 221 HG3 0.01 0.04 0.01 -0.04 2.34 2.35 1wdlC1 SER 222 H -0.00 0.05 -0.12 -0.55 8.46 7.84 1wdlC1 SER 222 HA -0.00 0.13 0.44 -0.75 4.49 4.30 1wdlC1 SER 222 HB2 -0.02 0.03 0.07 -0.04 3.95 4.00 1wdlC1 SER 222 HB3 -0.02 0.04 0.13 -0.04 3.93 4.05 1wdlC1 LEU 223 H 0.01 0.42 -0.26 -0.55 8.37 8.00 1wdlC1 LEU 223 HA 0.03 0.06 0.59 -0.75 4.35 4.27 1wdlC1 LEU 223 HB2 0.04 0.06 0.08 -0.04 1.64 1.78 1wdlC1 LEU 223 HB3 0.05 -0.09 -0.01 -0.04 1.64 1.56 1wdlC1 LEU 223 HG 0.03 0.10 -0.11 -0.04 1.64 1.62 1wdlC1 LEU 223 HD13 0.08 -0.04 -0.12 -0.04 0.93 0.81 1wdlC1 LEU 223 HD23 0.06 -0.01 -0.05 -0.04 0.89 0.84 1wdlC1 ALA 224 H 0.02 0.48 -0.13 -0.55 8.40 8.23 1wdlC1 ALA 224 HA 0.03 0.01 0.43 -0.75 4.34 4.05 1wdlC1 ALA 224 HB3 0.02 0.00 0.15 -0.04 1.41 1.54 1wdlC1 ALA 225 H 0.01 0.03 -1.07 -0.55 8.40 6.83 1wdlC1 ALA 225 HA 0.01 0.13 0.72 -0.75 4.34 4.44 1wdlC1 ALA 225 HB3 0.00 0.04 0.04 -0.04 1.41 1.45 1wdlC1 LEU 226 H 0.02 0.24 -0.06 -0.55 8.37 8.01 1wdlC1 LEU 226 HA 0.01 0.03 0.47 -0.75 4.35 4.11 1wdlC1 LEU 226 HB2 0.03 0.03 0.08 -0.04 1.64 1.74 1wdlC1 LEU 226 HB3 0.02 -0.11 0.14 -0.04 1.64 1.64 1wdlC1 LEU 226 HG 0.02 0.15 0.22 -0.04 1.64 1.99 1wdlC1 LEU 226 HD13 0.04 -0.05 0.07 -0.04 0.93 0.95 1wdlC1 LEU 226 HD23 0.01 0.00 0.02 -0.04 0.89 0.89 1wdlC1 LYS 227 H -0.00 0.06 0.17 -0.55 8.42 8.09 1wdlC1 LYS 227 HA 0.01 0.28 0.83 -0.75 4.32 4.67 1wdlC1 LYS 227 HB2 -0.01 -0.07 0.05 -0.04 1.87 1.80 1wdlC1 LYS 227 HB3 -0.01 0.06 0.07 -0.04 1.79 1.87 1wdlC1 LYS 227 HG2 0.00 0.09 -0.04 -0.04 1.46 1.47 1wdlC1 LYS 227 HG3 -0.00 -0.00 -0.03 -0.04 1.46 1.39 1wdlC1 LYS 227 HD2 -0.01 -0.05 0.02 -0.04 1.69 1.62 1wdlC1 LYS 227 HD3 -0.00 -0.00 0.02 -0.04 1.68 1.65 1wdlC1 LYS 227 HE2 0.00 0.03 0.01 -0.04 2.99 2.99 1wdlC1 LYS 227 HE3 -0.00 0.02 0.01 -0.04 2.99 2.98 1wdlC1 PRO 228 HA 0.02 -0.01 0.12 -0.51 4.44 4.05 1wdlC1 PRO 228 HB2 0.01 -0.04 -0.36 -0.04 2.28 1.85 1wdlC1 PRO 228 HB3 0.03 -0.12 -0.16 -0.04 2.02 1.72 1wdlC1 PRO 228 HG2 0.01 0.06 0.19 -0.04 2.03 2.25 1wdlC1 PRO 228 HG3 0.02 0.20 -0.05 -0.04 2.03 2.16 1wdlC1 PRO 228 HD2 0.00 0.12 0.22 -0.04 3.68 3.98 1wdlC1 PRO 228 HD3 0.01 0.24 0.22 -0.04 3.65 4.07 1wdlC1 ALA 229 H -0.05 0.45 0.32 -0.55 8.40 8.58 1wdlC1 ALA 229 HA -0.20 0.22 0.67 -0.75 4.34 4.28 1wdlC1 ALA 229 HB3 -0.46 -0.02 0.08 -0.04 1.41 0.96 1wdlC1 PHE 230 H 0.04 0.10 0.01 -0.55 8.34 7.93 1wdlC1 PHE 230 HA -0.00 0.30 0.94 -0.75 4.62 5.11 1wdlC1 PHE 230 HB2 -0.06 0.01 -0.10 -0.04 3.15 2.96 1wdlC1 PHE 230 HB3 -0.04 -0.01 0.05 -0.04 3.06 3.01 1wdlC1 PHE 230 HD2 -0.04 0.07 -0.02 -0.04 7.28 7.25 1wdlC1 PHE 230 HE2 0.07 0.03 -0.09 -0.04 7.38 7.35 1wdlC1 PHE 230 HZ 0.21 0.06 -0.06 -0.04 7.32 7.49 1wdlC1 ASN 231 H 0.05 0.03 -0.43 -0.55 8.53 7.62 1wdlC1 ASN 231 HA 0.04 0.17 0.39 -0.75 4.76 4.60 1wdlC1 ASN 231 HB2 0.06 0.09 -0.24 -0.04 2.88 2.75 1wdlC1 ASN 231 HB3 0.05 -0.15 -0.10 -0.04 2.79 2.55 1wdlC1 ASN 231 HD21 0.01 0.11 -0.12 -0.04 7.03 6.99 1wdlC1 ASN 231 HD22 0.02 -0.07 -0.08 -0.04 7.74 7.56 1wdlC1 PRO 232 HA 0.00 0.09 0.40 -0.51 4.44 4.42 1wdlC1 PRO 232 HB2 0.00 -0.01 0.05 -0.04 2.28 2.29 1wdlC1 PRO 232 HB3 -0.00 0.06 0.06 -0.04 2.02 2.10 1wdlC1 PRO 232 HG2 -0.00 0.05 0.00 -0.04 2.03 2.04 1wdlC1 PRO 232 HG3 -0.01 0.17 -0.01 -0.04 2.03 2.13 1wdlC1 PRO 232 HD2 0.01 0.12 0.02 -0.04 3.68 3.79 1wdlC1 PRO 232 HD3 0.01 0.10 -0.24 -0.04 3.65 3.47 1wdlC1 LYS 233 H 0.01 0.11 -0.25 -0.55 8.42 7.73 1wdlC1 LYS 233 HA 0.01 0.13 0.61 -0.75 4.32 4.32 1wdlC1 GLY 234 H 0.01 0.36 0.07 -0.55 8.43 8.33 1wdlC1 GLY 234 HA2 0.01 0.00 0.34 -0.51 4.01 3.85 1wdlC1 GLY 234 HA3 0.01 0.16 0.83 -0.51 4.01 4.50 1wdlC1 GLY 235 H 0.02 0.18 0.19 -0.55 8.43 8.27 1wdlC1 GLY 235 HA2 0.02 0.16 0.93 -0.51 4.01 4.62 1wdlC1 GLY 235 HA3 0.03 0.00 0.27 -0.51 4.01 3.81 1wdlC1 THR 236 H 0.04 -0.05 0.18 -0.55 8.28 7.90 1wdlC1 THR 236 HA 0.04 0.28 0.92 -0.75 4.39 4.87 1wdlC1 THR 236 HB 0.04 -0.04 -0.05 -0.04 4.32 4.23 1wdlC1 THR 236 HG23 0.02 0.03 -0.13 -0.04 1.22 1.11 1wdlC1 VAL 237 H 0.06 -0.02 0.12 -0.55 8.24 7.85 1wdlC1 VAL 237 HA 0.11 0.06 0.49 -0.75 4.13 4.04 1wdlC1 VAL 237 HB 0.19 -0.07 0.15 -0.04 2.12 2.36 1wdlC1 VAL 237 HG13 0.11 0.01 -0.13 -0.04 0.97 0.91 1wdlC1 VAL 237 HG23 -0.07 -0.01 -0.06 -0.04 0.95 0.77 1wdlC1 THR 238 H 0.12 0.17 0.25 -0.55 8.28 8.27 1wdlC1 THR 238 HA 0.03 0.13 0.91 -0.75 4.39 4.71 1wdlC1 THR 238 HB 0.04 -0.01 0.06 -0.04 4.32 4.37 1wdlC1 THR 238 HG23 0.04 0.12 -0.54 -0.04 1.22 0.80 1wdlC1 ALA 239 H 0.02 0.30 0.17 -0.55 8.40 8.34 1wdlC1 ALA 239 HA 0.10 0.07 0.40 -0.75 4.34 4.15 1wdlC1 ALA 239 HB3 0.02 0.04 0.12 -0.04 1.41 1.55 1wdlC1 GLY 240 H 0.08 -0.01 -0.38 -0.55 8.43 7.58 1wdlC1 GLY 240 HA2 0.11 0.19 0.46 -0.51 4.01 4.27 1wdlC1 GLY 240 HA3 0.09 0.03 0.26 -0.51 4.01 3.88 1wdlC1 THR 241 H 0.14 0.20 -0.16 -0.55 8.28 7.91 1wdlC1 THR 241 HA 0.15 0.21 0.74 -0.75 4.39 4.74 1wdlC1 THR 241 HB 0.18 -0.16 0.13 -0.04 4.32 4.44 1wdlC1 THR 241 HG23 0.12 0.02 -0.14 -0.04 1.22 1.18 1wdlC1 SER 242 H 0.19 0.25 -0.39 -0.55 8.46 7.96 1wdlC1 SER 242 HA 0.25 0.08 0.89 -0.75 4.49 4.95 1wdlC1 SER 242 HB2 0.26 0.08 0.07 -0.04 3.95 4.32 1wdlC1 SER 242 HB3 0.37 0.01 0.07 -0.04 3.93 4.34 1wdlC1 SER 243 H -0.17 0.35 0.21 -0.55 8.46 8.30 1wdlC1 SER 243 HA -0.01 0.05 0.06 -0.75 4.49 3.84 1wdlC1 SER 243 HB2 0.03 -0.03 -0.08 -0.04 3.95 3.83 1wdlC1 SER 243 HB3 -0.17 0.16 0.12 -0.04 3.93 3.99 1wdlC1 GLN 244 H 0.04 0.32 0.19 -0.55 8.47 8.48 1wdlC1 GLN 244 HA 0.05 0.20 0.75 -0.75 4.36 4.61 1wdlC1 GLN 244 HB2 0.03 -0.11 -0.02 -0.04 2.15 2.00 1wdlC1 GLN 244 HB3 0.02 -0.02 -0.10 -0.04 2.02 1.89 1wdlC1 GLN 244 HG2 0.07 0.00 0.01 -0.04 2.40 2.44 1wdlC1 GLN 244 HG3 0.06 0.23 0.03 -0.04 2.39 2.66 1wdlC1 GLN 244 HE21 0.16 0.52 -0.03 -0.04 6.97 7.57 1wdlC1 GLN 244 HE22 0.10 0.43 0.10 -0.04 7.69 8.29 1wdlC1 ILE 245 H 0.01 0.20 0.15 -0.55 8.25 8.06 1wdlC1 ILE 245 HA -0.09 0.06 0.51 -0.75 4.18 3.91 1wdlC1 ILE 245 HB -0.02 -0.06 0.23 -0.04 1.89 1.99 1wdlC1 ILE 245 HG12 0.03 0.05 0.13 -0.04 1.49 1.66 1wdlC1 ILE 245 HG13 0.01 0.03 0.08 -0.04 1.21 1.29 1wdlC1 ILE 245 HG23 -0.09 -0.01 -0.09 -0.04 0.93 0.71 1wdlC1 ILE 245 HD13 0.01 0.00 0.00 -0.04 0.88 0.85 1wdlC1 THR 246 H -0.13 0.22 0.10 -0.55 8.28 7.92 1wdlC1 THR 246 HA -0.10 0.20 0.96 -0.75 4.39 4.70 1wdlC1 THR 246 HB -0.08 -0.07 -0.17 -0.04 4.32 3.96 1wdlC1 THR 246 HG23 -0.07 0.13 -0.29 -0.04 1.22 0.95 1wdlC1 ASP 247 H -0.17 0.47 0.14 -0.55 8.40 8.29 1wdlC1 ASP 247 HA -0.30 0.16 0.98 -0.75 4.63 4.71 1wdlC1 ASP 247 HB2 -0.41 0.08 0.11 -0.04 2.71 2.45 1wdlC1 ASP 247 HB3 -1.03 0.01 0.09 -0.04 2.70 1.73 1wdlC1 GLY 248 H -0.19 0.30 0.24 -0.55 8.43 8.24 1wdlC1 GLY 248 HA2 -0.27 0.13 0.38 -0.51 4.01 3.74 1wdlC1 GLY 248 HA3 -0.15 0.13 0.26 -0.51 4.01 3.74 1wdlC1 ALA 249 H -0.09 0.29 0.19 -0.55 8.40 8.25 1wdlC1 ALA 249 HA -0.03 0.19 1.06 -0.75 4.34 4.80 1wdlC1 ALA 249 HB3 0.18 0.02 -0.06 -0.04 1.41 1.51 1wdlC1 SER 250 H -0.15 0.61 0.41 -0.55 8.46 8.78 1wdlC1 SER 250 HA -0.08 0.21 0.99 -0.75 4.49 4.85 1wdlC1 SER 250 HB2 0.16 0.11 -0.11 -0.04 3.95 4.07 1wdlC1 SER 250 HB3 0.00 -0.02 -0.14 -0.04 3.93 3.73 1wdlC1 CYS 251 H -0.10 0.81 0.36 -0.55 8.50 9.03 1wdlC1 CYS 251 HA 0.13 0.20 1.15 -0.75 4.58 5.31 1wdlC1 CYS 251 HB2 0.35 -0.08 -0.14 -0.04 2.97 3.06 1wdlC1 CYS 251 HB3 0.08 0.07 0.00 -0.04 2.97 3.08 1wdlC1 MET 252 H 0.22 0.44 0.21 -0.55 8.47 8.79 1wdlC1 MET 252 HA 0.19 0.15 0.64 -0.75 4.52 4.75 1wdlC1 MET 252 HB2 0.26 -0.01 -0.37 -0.04 2.15 1.99 1wdlC1 MET 252 HB3 0.15 -0.11 -0.06 -0.04 2.03 1.97 1wdlC1 MET 252 HG2 0.15 0.02 -0.20 -0.04 2.63 2.56 1wdlC1 MET 252 HG3 0.21 0.23 0.13 -0.04 2.56 3.09 1wdlC1 MET 252 HE3 -0.13 -0.01 -0.12 -0.04 2.10 1.80 1wdlC1 ILE 253 H 0.12 0.23 0.13 -0.55 8.25 8.18 1wdlC1 ILE 253 HA 0.14 0.18 0.91 -0.75 4.18 4.66 1wdlC1 ILE 253 HB 0.08 -0.11 0.17 -0.04 1.89 2.00 1wdlC1 ILE 253 HG12 0.08 0.04 0.00 -0.04 1.49 1.58 1wdlC1 ILE 253 HG13 0.08 -0.11 -0.08 -0.04 1.21 1.07 1wdlC1 ILE 253 HG23 0.08 0.03 -0.08 -0.04 0.93 0.93 1wdlC1 ILE 253 HD13 0.04 0.02 -0.11 -0.04 0.88 0.79 1wdlC1 VAL 254 H 0.17 0.58 0.35 -0.55 8.24 8.78 1wdlC1 VAL 254 HA 0.10 0.23 1.15 -0.75 4.13 4.86 1wdlC1 VAL 254 HB 0.12 -0.09 -0.03 -0.04 2.12 2.08 1wdlC1 VAL 254 HG13 0.04 0.02 -0.16 -0.04 0.97 0.84 1wdlC1 VAL 254 HG23 0.11 0.01 -0.30 -0.04 0.95 0.74 1wdlC1 MET 255 H 0.08 0.64 0.40 -0.55 8.47 9.05 1wdlC1 MET 255 HA 0.15 0.19 0.70 -0.75 4.52 4.81 1wdlC1 MET 255 HB2 0.09 0.02 0.19 -0.04 2.15 2.40 1wdlC1 MET 255 HB3 0.10 -0.04 -0.08 -0.04 2.03 1.97 1wdlC1 MET 255 HG2 0.07 -0.03 -0.08 -0.04 2.63 2.54 1wdlC1 MET 255 HG3 0.05 0.17 -0.26 -0.04 2.56 2.48 1wdlC1 MET 255 HE3 0.04 0.03 -0.31 -0.04 2.10 1.82 1wdlC1 SER 256 H 0.08 0.29 0.29 -0.55 8.46 8.57 1wdlC1 SER 256 HA 0.03 0.25 0.58 -0.75 4.49 4.60 1wdlC1 SER 256 HB2 0.03 0.20 0.27 -0.04 3.95 4.40 1wdlC1 SER 256 HB3 0.05 0.11 0.18 -0.04 3.93 4.23 1wdlC1 ALA 257 H 0.02 0.55 0.37 -0.55 8.40 8.78 1wdlC1 ALA 257 HA 0.02 0.08 0.42 -0.75 4.34 4.10 1wdlC1 ALA 257 HB3 0.01 0.04 0.10 -0.04 1.41 1.52 1wdlC1 GLN 258 H 0.02 0.45 -0.01 -0.55 8.47 8.39 1wdlC1 GLN 258 HA 0.02 0.07 0.43 -0.75 4.36 4.12 1wdlC1 GLN 258 HB2 0.02 -0.05 0.19 -0.04 2.15 2.27 1wdlC1 GLN 258 HB3 0.02 -0.03 0.17 -0.04 2.02 2.14 1wdlC1 GLN 258 HG2 0.02 0.01 -0.01 -0.04 2.40 2.38 1wdlC1 GLN 258 HG3 0.02 0.01 -0.25 -0.04 2.39 2.13 1wdlC1 GLN 258 HE21 0.01 0.03 -0.03 -0.04 6.97 6.94 1wdlC1 GLN 258 HE22 0.01 -0.02 -0.19 -0.04 7.69 7.46 1wdlC1 ARG 259 H 0.03 0.13 -0.02 -0.55 8.46 8.04 1wdlC1 ARG 259 HA 0.02 0.04 0.35 -0.75 4.34 4.00 1wdlC1 ARG 259 HB2 0.03 -0.04 0.12 -0.04 1.90 1.98 1wdlC1 ARG 259 HB3 0.04 0.07 0.04 -0.04 1.80 1.91 1wdlC1 ARG 259 HG2 0.03 -0.05 -0.03 -0.04 1.67 1.58 1wdlC1 ARG 259 HG3 0.03 0.06 -0.04 -0.04 1.67 1.68 1wdlC1 ARG 259 HD2 0.02 -0.00 0.10 -0.04 3.22 3.30 1wdlC1 ARG 259 HD3 0.02 -0.02 0.04 -0.04 3.22 3.21 1wdlC1 ALA 260 H 0.03 0.20 -0.92 -0.55 8.40 7.16 1wdlC1 ALA 260 HA 0.03 0.04 0.49 -0.75 4.34 4.15 1wdlC1 ALA 260 HB3 0.03 0.05 0.02 -0.04 1.41 1.47 1wdlC1 LYS 261 H 0.02 0.85 0.18 -0.55 8.42 8.91 1wdlC1 LYS 261 HA 0.01 0.03 0.36 -0.75 4.32 3.97 1wdlC1 LYS 261 HB2 0.01 0.01 0.14 -0.04 1.87 1.99 1wdlC1 LYS 261 HB3 0.01 0.06 0.21 -0.04 1.79 2.03 1wdlC1 LYS 261 HG2 0.01 -0.00 -0.19 -0.04 1.46 1.23 1wdlC1 LYS 261 HG3 0.01 -0.01 0.03 -0.04 1.46 1.44 1wdlC1 LYS 261 HD2 0.01 -0.02 -0.02 -0.04 1.69 1.61 1wdlC1 LYS 261 HD3 0.01 -0.02 -0.03 -0.04 1.68 1.60 1wdlC1 LYS 261 HE2 0.01 0.00 -0.05 -0.04 2.99 2.91 1wdlC1 LYS 261 HE3 0.01 0.00 -0.02 -0.04 2.99 2.94 1wdlC1 ASP 262 H 0.02 0.44 -0.31 -0.55 8.40 8.00 1wdlC1 ASP 262 HA 0.01 0.02 0.39 -0.75 4.63 4.29 1wdlC1 ASP 262 HB2 0.01 0.11 0.03 -0.04 2.71 2.82 1wdlC1 ASP 262 HB3 0.01 -0.04 0.01 -0.04 2.70 2.63 1wdlC1 LEU 263 H 0.02 0.33 -0.32 -0.55 8.37 7.85 1wdlC1 LEU 263 HA 0.01 0.05 0.53 -0.75 4.35 4.19 1wdlC1 LEU 263 HB2 0.02 0.07 0.11 -0.04 1.64 1.79 1wdlC1 LEU 263 HB3 0.01 -0.06 0.11 -0.04 1.64 1.67 1wdlC1 LEU 263 HG 0.02 0.21 0.13 -0.04 1.64 1.96 1wdlC1 LEU 263 HD13 0.02 -0.04 -0.04 -0.04 0.93 0.83 1wdlC1 LEU 263 HD23 0.01 0.01 0.05 -0.04 0.89 0.91 1wdlC1 GLY 264 H 0.01 0.32 -0.73 -0.55 8.43 7.49 1wdlC1 GLY 264 HA2 0.01 0.04 0.25 -0.51 4.01 3.80 1wdlC1 GLY 264 HA3 0.01 -0.04 0.29 -0.51 4.01 3.76 1wdlC1 LEU 265 H 0.02 0.23 -0.38 -0.55 8.37 7.68 1wdlC1 LEU 265 HA 0.01 0.11 0.86 -0.75 4.35 4.58 1wdlC1 LEU 265 HB2 0.02 0.02 -0.03 -0.04 1.64 1.60 1wdlC1 LEU 265 HB3 0.02 0.04 -0.10 -0.04 1.64 1.56 1wdlC1 LEU 265 HG 0.03 0.03 -0.22 -0.04 1.64 1.44 1wdlC1 LEU 265 HD13 0.03 -0.02 -0.11 -0.04 0.93 0.79 1wdlC1 LEU 265 HD23 0.02 -0.04 0.01 -0.04 0.89 0.84 1wdlC1 GLU 266 H 0.01 0.11 0.10 -0.55 8.60 8.27 1wdlC1 GLU 266 HA 0.01 0.05 0.38 -0.75 4.29 3.98 1wdlC1 GLU 266 HB2 0.01 -0.05 0.09 -0.04 2.09 2.10 1wdlC1 GLU 266 HB3 0.01 -0.06 0.14 -0.04 1.99 2.04 1wdlC1 GLU 266 HG2 0.01 -0.10 -0.02 -0.04 2.34 2.19 1wdlC1 GLU 266 HG3 0.01 0.27 -0.32 -0.04 2.34 2.26 1wdlC1 PRO 267 HA 0.03 0.05 0.42 -0.51 4.44 4.43 1wdlC1 PRO 267 HB2 0.01 0.02 -0.05 -0.04 2.28 2.22 1wdlC1 PRO 267 HB3 0.03 0.00 0.06 -0.04 2.02 2.06 1wdlC1 PRO 267 HG2 0.01 -0.02 0.02 -0.04 2.03 2.00 1wdlC1 PRO 267 HG3 0.02 0.05 0.02 -0.04 2.03 2.07 1wdlC1 PRO 267 HD2 0.01 0.10 0.16 -0.04 3.68 3.91 1wdlC1 PRO 267 HD3 0.01 0.15 0.19 -0.04 3.65 3.97 1wdlC1 LEU 268 H 0.03 0.41 0.33 -0.55 8.37 8.60 1wdlC1 LEU 268 HA 0.01 0.13 0.75 -0.75 4.35 4.48 1wdlC1 LEU 268 HB2 0.03 0.17 0.04 -0.04 1.64 1.84 1wdlC1 LEU 268 HB3 0.03 0.20 0.04 -0.04 1.64 1.87 1wdlC1 LEU 268 HG -0.03 -0.11 -0.24 -0.04 1.64 1.21 1wdlC1 LEU 268 HD13 0.00 -0.00 -0.01 -0.04 0.93 0.88 1wdlC1 LEU 268 HD23 0.06 -0.02 -0.20 -0.04 0.89 0.68 1wdlC1 ALA 269 H 0.04 0.26 0.29 -0.55 8.40 8.44 1wdlC1 ALA 269 HA 0.03 0.24 0.46 -0.75 4.34 4.31 1wdlC1 ALA 269 HB3 0.07 -0.02 -0.08 -0.04 1.41 1.33 1wdlC1 VAL 270 H 0.10 0.23 0.33 -0.55 8.24 8.35 1wdlC1 VAL 270 HA 0.05 0.14 1.02 -0.75 4.13 4.59 1wdlC1 VAL 270 HB -0.01 0.00 0.07 -0.04 2.12 2.15 1wdlC1 VAL 270 HG13 -0.01 0.09 -0.09 -0.04 0.97 0.92 1wdlC1 VAL 270 HG23 0.01 -0.01 -0.19 -0.04 0.95 0.71 1wdlC1 ILE 271 H -0.02 0.31 0.13 -0.55 8.25 8.12 1wdlC1 ILE 271 HA -0.31 0.02 0.56 -0.75 4.18 3.69 1wdlC1 ILE 271 HB -0.12 0.00 0.10 -0.04 1.89 1.82 1wdlC1 ILE 271 HG12 -0.66 -0.02 -0.12 -0.04 1.49 0.65 1wdlC1 ILE 271 HG13 -0.07 -0.04 -0.11 -0.04 1.21 0.95 1wdlC1 ILE 271 HG23 -0.27 0.00 -0.26 -0.04 0.93 0.36 1wdlC1 ILE 271 HD13 -0.08 -0.01 -0.13 -0.04 0.88 0.62 1wdlC1 ARG 272 H -0.16 0.50 0.41 -0.55 8.46 8.66 1wdlC1 ARG 272 HA -0.05 0.18 0.96 -0.75 4.34 4.67 1wdlC1 ARG 272 HB2 0.01 0.11 0.14 -0.04 1.90 2.12 1wdlC1 ARG 272 HB3 0.03 0.00 0.02 -0.04 1.80 1.81 1wdlC1 ARG 272 HG2 -0.01 0.06 -0.20 -0.04 1.67 1.47 1wdlC1 ARG 272 HG3 0.08 -0.00 -0.08 -0.04 1.67 1.63 1wdlC1 ARG 272 HD2 0.02 -0.00 0.02 -0.04 3.22 3.21 1wdlC1 ARG 272 HD3 -0.02 0.08 -0.09 -0.04 3.22 3.15 1wdlC1 SER 273 H -0.14 0.18 0.30 -0.55 8.46 8.26 1wdlC1 SER 273 HA -0.11 0.19 0.69 -0.75 4.49 4.50 1wdlC1 SER 273 HB2 -0.07 0.01 0.01 -0.04 3.95 3.86 1wdlC1 SER 273 HB3 -0.04 0.14 -0.32 -0.04 3.93 3.66 1wdlC1 MET 274 H -0.15 0.32 0.18 -0.55 8.47 8.27 1wdlC1 MET 274 HA -0.31 0.21 0.99 -0.75 4.52 4.66 1wdlC1 MET 274 HB2 -0.33 0.02 0.04 -0.04 2.15 1.84 1wdlC1 MET 274 HB3 -1.00 -0.03 0.02 -0.04 2.03 0.98 1wdlC1 MET 274 HG2 -0.78 0.00 -0.09 -0.04 2.63 1.72 1wdlC1 MET 274 HG3 -0.35 -0.06 -0.53 -0.04 2.56 1.58 1wdlC1 MET 274 HE3 -0.16 0.02 -0.16 -0.04 2.10 1.76 1wdlC1 ALA 275 H 0.03 0.53 0.32 -0.55 8.40 8.73 1wdlC1 ALA 275 HA -0.01 0.12 0.66 -0.75 4.34 4.35 1wdlC1 ALA 275 HB3 -0.01 0.05 -0.16 -0.04 1.41 1.24 1wdlC1 VAL 276 H 0.02 0.35 0.21 -0.55 8.24 8.26 1wdlC1 VAL 276 HA 0.02 0.19 0.98 -0.75 4.13 4.57 1wdlC1 VAL 276 HB 0.01 0.04 0.09 -0.04 2.12 2.22 1wdlC1 VAL 276 HG13 0.06 -0.02 -0.11 -0.04 0.97 0.85 1wdlC1 VAL 276 HG23 0.02 -0.00 0.01 -0.04 0.95 0.94 1wdlC1 ALA 277 H 0.00 0.49 0.26 -0.55 8.40 8.60 1wdlC1 ALA 277 HA 0.00 0.20 0.76 -0.75 4.34 4.55 1wdlC1 ALA 277 HB3 -0.00 0.02 -0.21 -0.04 1.41 1.18 1wdlC1 GLY 278 H 0.01 0.21 0.16 -0.55 8.43 8.27 1wdlC1 GLY 278 HA2 0.01 0.18 1.05 -0.51 4.01 4.75 1wdlC1 GLY 278 HA3 0.01 0.07 0.34 -0.51 4.01 3.92 1wdlC1 VAL 279 H 0.02 0.56 -0.01 -0.55 8.24 8.27 1wdlC1 VAL 279 HA 0.05 0.17 0.62 -0.75 4.13 4.21 1wdlC1 VAL 279 HB 0.10 -0.07 -0.05 -0.04 2.12 2.06 1wdlC1 VAL 279 HG13 0.11 0.01 -0.44 -0.04 0.97 0.61 1wdlC1 VAL 279 HG23 0.05 -0.02 -0.37 -0.04 0.95 0.58 1wdlC1 ASP 280 H 0.03 0.13 0.04 -0.55 8.40 8.06 1wdlC1 ASP 280 HA 0.02 0.24 0.51 -0.75 4.63 4.65 1wdlC1 ASP 280 HB2 0.01 -0.10 0.06 -0.04 2.71 2.64 1wdlC1 ASP 280 HB3 0.01 -0.01 0.07 -0.04 2.70 2.72 1wdlC1 PRO 281 HA 0.01 -0.05 0.13 -0.51 4.44 4.02 1wdlC1 PRO 281 HB2 0.01 -0.04 0.02 -0.04 2.28 2.22 1wdlC1 PRO 281 HB3 0.01 -0.01 -0.02 -0.04 2.02 1.96 1wdlC1 PRO 281 HG2 0.02 0.06 0.05 -0.04 2.03 2.12 1wdlC1 PRO 281 HG3 0.01 0.39 -0.02 -0.04 2.03 2.37 1wdlC1 PRO 281 HD2 0.02 0.04 0.20 -0.04 3.68 3.89 1wdlC1 PRO 281 HD3 0.02 0.29 0.27 -0.04 3.65 4.19 1wdlC1 ALA 282 H 0.00 0.15 -0.26 -0.55 8.40 7.74 1wdlC1 ALA 282 HA -0.01 0.01 0.33 -0.75 4.34 3.92 1wdlC1 ALA 282 HB3 -0.01 0.02 0.01 -0.04 1.41 1.39 1wdlC1 ILE 283 H 0.01 0.35 -0.43 -0.55 8.25 7.63 1wdlC1 ILE 283 HA -0.00 0.20 0.91 -0.75 4.18 4.53 1wdlC1 ILE 283 HB 0.01 -0.02 0.15 -0.04 1.89 1.99 1wdlC1 ILE 283 HG12 -0.01 -0.06 -0.03 -0.04 1.49 1.35 1wdlC1 ILE 283 HG13 0.04 0.01 -0.07 -0.04 1.21 1.15 1wdlC1 ILE 283 HG23 -0.03 0.00 -0.19 -0.04 0.93 0.67 1wdlC1 ILE 283 HD13 -0.10 0.02 -0.01 -0.04 0.88 0.75 1wdlC1 MET 284 H 0.01 0.49 -0.20 -0.55 8.47 8.22 1wdlC1 MET 284 HA 0.04 0.08 0.28 -0.75 4.52 4.17 1wdlC1 MET 284 HB2 0.01 0.26 0.21 -0.04 2.15 2.59 1wdlC1 MET 284 HB3 0.01 0.07 0.22 -0.04 2.03 2.29 1wdlC1 MET 284 HG2 0.01 -0.05 0.05 -0.04 2.63 2.60 1wdlC1 MET 284 HG3 0.02 -0.05 0.01 -0.04 2.56 2.50 1wdlC1 MET 284 HE3 0.14 -0.03 -0.11 -0.04 2.10 2.07 1wdlC1 GLY 285 H 0.04 0.10 -0.49 -0.55 8.43 7.54 1wdlC1 GLY 285 HA2 0.04 -0.02 0.31 -0.51 4.01 3.82 1wdlC1 GLY 285 HA3 0.06 0.00 0.21 -0.51 4.01 3.78 1wdlC1 TYR 286 H 0.15 0.61 -0.51 -0.55 8.29 7.99 1wdlC1 TYR 286 HA -0.04 0.09 0.56 -0.75 4.56 4.41 1wdlC1 TYR 286 HB2 -0.00 -0.01 0.06 -0.04 3.06 3.07 1wdlC1 TYR 286 HB3 0.00 0.02 -0.04 -0.04 2.98 2.93 1wdlC1 TYR 286 HD2 -0.05 -0.01 -0.06 -0.04 7.15 6.99 1wdlC1 TYR 286 HE2 0.06 0.03 -0.06 -0.04 6.85 6.84 1wdlC1 GLY 287 H 0.03 0.51 -0.26 -0.55 8.43 8.16 1wdlC1 GLY 287 HA2 0.00 -0.02 0.05 -0.51 4.01 3.53 1wdlC1 GLY 287 HA3 -0.01 0.25 0.19 -0.51 4.01 3.93 1wdlC1 PRO 288 HA -0.06 -0.01 0.30 -0.51 4.44 4.16 1wdlC1 PRO 288 HB2 -0.12 0.05 -0.08 -0.04 2.28 2.09 1wdlC1 PRO 288 HB3 -0.06 0.02 -0.15 -0.04 2.02 1.79 1wdlC1 PRO 288 HG2 -0.06 0.06 -0.09 -0.04 2.03 1.89 1wdlC1 PRO 288 HG3 -0.05 -0.11 -0.46 -0.04 2.03 1.37 1wdlC1 PRO 288 HD2 -0.10 0.26 -0.28 -0.04 3.68 3.52 1wdlC1 PRO 288 HD3 -0.04 -0.01 -0.06 -0.04 3.65 3.50 1wdlC1 VAL 289 H -0.32 0.23 -0.21 -0.55 8.24 7.39 1wdlC1 VAL 289 HA -0.14 0.03 0.28 -0.75 4.13 3.54 1wdlC1 VAL 289 HB -0.28 0.02 -0.01 -0.04 2.12 1.82 1wdlC1 VAL 289 HG13 -1.18 0.05 0.04 -0.04 0.97 -0.16 1wdlC1 VAL 289 HG23 -0.14 0.01 -0.23 -0.04 0.95 0.54 1wdlC1 PRO 290 HA -0.03 0.08 0.40 -0.51 4.44 4.38 1wdlC1 PRO 290 HB2 -0.01 -0.01 -0.09 -0.04 2.28 2.12 1wdlC1 PRO 290 HB3 0.01 0.04 -0.01 -0.04 2.02 2.02 1wdlC1 PRO 290 HG2 0.05 0.02 -0.14 -0.04 2.03 1.92 1wdlC1 PRO 290 HG3 0.04 0.01 -0.06 -0.04 2.03 1.98 1wdlC1 PRO 290 HD2 -0.12 0.31 -0.29 -0.04 3.68 3.54 1wdlC1 PRO 290 HD3 -0.36 0.13 0.02 -0.04 3.65 3.40 1wdlC1 ALA 291 H -0.04 0.47 -0.25 -0.55 8.40 8.03 1wdlC1 ALA 291 HA -0.01 0.03 0.07 -0.75 4.34 3.68 1wdlC1 ALA 291 HB3 -0.01 -0.00 -0.30 -0.04 1.41 1.05 1wdlC1 THR 292 H -0.05 0.72 -0.29 -0.55 8.28 8.12 1wdlC1 THR 292 HA -0.01 -0.01 0.31 -0.75 4.39 3.93 1wdlC1 THR 292 HB -0.05 0.08 0.03 -0.04 4.32 4.34 1wdlC1 THR 292 HG23 -0.02 -0.01 -0.21 -0.04 1.22 0.94 1wdlC1 GLN 293 H -0.04 0.62 -0.10 -0.55 8.47 8.41 1wdlC1 GLN 293 HA -0.02 0.01 0.35 -0.75 4.36 3.94 1wdlC1 GLN 293 HB2 -0.02 0.09 0.09 -0.04 2.15 2.27 1wdlC1 GLN 293 HB3 -0.02 -0.04 0.01 -0.04 2.02 1.94 1wdlC1 GLN 293 HG2 -0.02 -0.05 0.02 -0.04 2.40 2.30 1wdlC1 GLN 293 HG3 -0.04 0.42 0.14 -0.04 2.39 2.87 1wdlC1 GLN 293 HE21 0.01 -0.03 -0.05 -0.04 6.97 6.86 1wdlC1 GLN 293 HE22 -0.01 0.02 -0.03 -0.04 7.69 7.63 1wdlC1 LYS 294 H -0.02 0.44 -0.39 -0.55 8.42 7.90 1wdlC1 LYS 294 HA -0.02 0.04 0.40 -0.75 4.32 3.99 1wdlC1 LYS 294 HB2 -0.01 0.05 0.04 -0.04 1.87 1.90 1wdlC1 LYS 294 HB3 -0.01 0.06 -0.02 -0.04 1.79 1.77 1wdlC1 LYS 294 HG2 -0.02 0.02 -0.06 -0.04 1.46 1.36 1wdlC1 LYS 294 HG3 -0.01 -0.02 0.05 -0.04 1.46 1.44 1wdlC1 LYS 294 HD2 -0.01 -0.09 0.02 -0.04 1.69 1.57 1wdlC1 LYS 294 HD3 -0.01 -0.01 0.05 -0.04 1.68 1.67 1wdlC1 LYS 294 HE2 -0.00 -0.03 0.01 -0.04 2.99 2.93 1wdlC1 LYS 294 HE3 -0.00 -0.00 -0.07 -0.04 2.99 2.87 1wdlC1 ALA 295 H -0.02 0.35 -0.39 -0.55 8.40 7.80 1wdlC1 ALA 295 HA -0.04 0.06 0.30 -0.75 4.34 3.91 1wdlC1 ALA 295 HB3 -0.02 0.02 -0.13 -0.04 1.41 1.24 1wdlC1 LEU 296 H -0.02 0.62 -0.10 -0.55 8.37 8.33 1wdlC1 LEU 296 HA -0.02 0.02 0.29 -0.75 4.35 3.88 1wdlC1 LEU 296 HB2 -0.03 0.04 0.09 -0.04 1.64 1.70 1wdlC1 LEU 296 HB3 -0.03 0.32 -0.00 -0.04 1.64 1.88 1wdlC1 LEU 296 HG -0.02 0.05 -0.11 -0.04 1.64 1.51 1wdlC1 LEU 296 HD13 -0.03 -0.05 -0.15 -0.04 0.93 0.66 1wdlC1 LEU 296 HD23 -0.03 -0.01 -0.38 -0.04 0.89 0.44 1wdlC1 LYS 297 H -0.02 0.42 -0.30 -0.55 8.42 7.97 1wdlC1 LYS 297 HA -0.02 0.04 0.46 -0.75 4.32 4.04 1wdlC1 LYS 297 HB2 -0.02 0.09 0.10 -0.04 1.87 2.01 1wdlC1 LYS 297 HB3 -0.02 -0.04 0.02 -0.04 1.79 1.71 1wdlC1 LYS 297 HG2 -0.02 -0.06 0.01 -0.04 1.46 1.35 1wdlC1 LYS 297 HG3 -0.02 0.34 0.11 -0.04 1.46 1.85 1wdlC1 LYS 297 HD2 -0.01 -0.01 -0.04 -0.04 1.69 1.58 1wdlC1 LYS 297 HD3 -0.01 -0.03 -0.01 -0.04 1.68 1.58 1wdlC1 LYS 297 HE2 -0.01 -0.02 -0.02 -0.04 2.99 2.89 1wdlC1 LYS 297 HE3 -0.01 -0.01 -0.06 -0.04 2.99 2.87 1wdlC1 ARG 298 H -0.03 0.35 -0.26 -0.55 8.46 7.97 1wdlC1 ARG 298 HA -0.02 0.04 0.51 -0.75 4.34 4.11 1wdlC1 ARG 298 HB2 -0.04 0.05 0.17 -0.04 1.90 2.04 1wdlC1 ARG 298 HB3 -0.04 -0.04 0.11 -0.04 1.80 1.79 1wdlC1 ARG 298 HG2 -0.03 -0.07 0.07 -0.04 1.67 1.61 1wdlC1 ARG 298 HG3 -0.03 0.19 0.14 -0.04 1.67 1.94 1wdlC1 ARG 298 HD2 -0.04 0.05 0.02 -0.04 3.22 3.21 1wdlC1 ARG 298 HD3 -0.05 -0.05 0.10 -0.04 3.22 3.18 1wdlC1 ALA 299 H -0.02 0.37 -0.32 -0.55 8.40 7.88 1wdlC1 ALA 299 HA -0.01 0.17 0.55 -0.75 4.34 4.29 1wdlC1 ALA 299 HB3 0.00 -0.04 -0.03 -0.04 1.41 1.30 1wdlC1 GLY 300 H -0.02 0.16 -0.65 -0.55 8.43 7.37 1wdlC1 GLY 300 HA2 -0.03 -0.01 0.29 -0.51 4.01 3.75 1wdlC1 GLY 300 HA3 -0.02 -0.01 0.34 -0.51 4.01 3.81 1wdlC1 LEU 301 H -0.05 0.71 0.02 -0.55 8.37 8.51 1wdlC1 LEU 301 HA -0.12 0.12 0.80 -0.75 4.35 4.40 1wdlC1 LEU 301 HB2 -0.09 -0.08 -0.16 -0.04 1.64 1.27 1wdlC1 LEU 301 HB3 -0.23 -0.05 -0.03 -0.04 1.64 1.30 1wdlC1 LEU 301 HG -0.06 0.28 -0.62 -0.04 1.64 1.21 1wdlC1 LEU 301 HD13 -0.06 -0.03 -0.13 -0.04 0.93 0.67 1wdlC1 LEU 301 HD23 -0.30 0.06 -0.03 -0.04 0.89 0.57 1wdlC1 ASN 302 H -0.11 0.14 0.13 -0.55 8.53 8.13 1wdlC1 ASN 302 HA -0.05 0.18 0.68 -0.75 4.76 4.82 1wdlC1 ASN 302 HB2 -0.07 -0.08 0.05 -0.04 2.88 2.74 1wdlC1 ASN 302 HB3 -0.05 -0.00 0.10 -0.04 2.79 2.80 1wdlC1 ASN 302 HD21 -0.05 0.06 -0.02 -0.04 7.03 6.97 1wdlC1 ASN 302 HD22 -0.07 -0.02 0.01 -0.04 7.74 7.63 1wdlC1 MET 303 H -0.04 0.19 0.11 -0.55 8.47 8.18 1wdlC1 MET 303 HA -0.04 0.07 0.27 -0.75 4.52 4.07 1wdlC1 MET 303 HB2 -0.03 -0.03 0.09 -0.04 2.15 2.14 1wdlC1 MET 303 HB3 -0.03 0.02 0.05 -0.04 2.03 2.02 1wdlC1 MET 303 HG2 -0.02 0.32 -0.01 -0.04 2.63 2.87 1wdlC1 MET 303 HG3 -0.03 0.04 -0.14 -0.04 2.56 2.39 1wdlC1 MET 303 HE3 -0.01 -0.00 -0.06 -0.04 2.10 1.99 1wdlC1 ALA 304 H -0.05 -0.04 -0.40 -0.55 8.40 7.37 1wdlC1 ALA 304 HA -0.05 0.18 0.40 -0.75 4.34 4.11 1wdlC1 ALA 304 HB3 -0.05 -0.01 0.01 -0.04 1.41 1.32 1wdlC1 ASP 305 H -0.10 0.27 -0.29 -0.55 8.40 7.74 1wdlC1 ASP 305 HA -0.12 0.06 0.39 -0.75 4.63 4.21 1wdlC1 ASP 305 HB2 -0.24 0.12 0.06 -0.04 2.71 2.61 1wdlC1 ASP 305 HB3 -0.48 0.01 0.07 -0.04 2.70 2.26 1wdlC1 ILE 306 H -0.06 0.25 -0.56 -0.55 8.25 7.33 1wdlC1 ILE 306 HA 0.09 -0.01 0.49 -0.75 4.18 4.00 1wdlC1 ILE 306 HB -0.01 0.16 0.00 -0.04 1.89 2.00 1wdlC1 ILE 306 HG12 0.07 0.01 -0.26 -0.04 1.49 1.26 1wdlC1 ILE 306 HG13 -0.03 0.02 -0.18 -0.04 1.21 0.98 1wdlC1 ILE 306 HG23 0.06 -0.06 -0.35 -0.04 0.93 0.55 1wdlC1 ILE 306 HD13 0.02 -0.03 -0.18 -0.04 0.88 0.65 1wdlC1 ASP 307 H 0.10 0.39 0.37 -0.55 8.40 8.72 1wdlC1 ASP 307 HA -0.23 0.13 0.58 -0.75 4.63 4.36 1wdlC1 ASP 307 HB2 0.14 -0.01 0.23 -0.04 2.71 3.03 1wdlC1 ASP 307 HB3 -0.31 0.06 0.11 -0.04 2.70 2.52 1wdlC1 PHE 308 H 0.13 0.25 0.24 -0.55 8.34 8.41 1wdlC1 PHE 308 HA -0.00 0.34 1.00 -0.75 4.62 5.21 1wdlC1 PHE 308 HB2 -0.01 -0.07 0.00 -0.04 3.15 3.03 1wdlC1 PHE 308 HB3 -0.04 -0.08 -0.03 -0.04 3.06 2.88 1wdlC1 PHE 308 HD2 -0.02 -0.13 -0.08 -0.04 7.28 7.02 1wdlC1 PHE 308 HE2 -0.01 0.05 -0.04 -0.04 7.38 7.33 1wdlC1 PHE 308 HZ -0.00 0.08 0.01 -0.04 7.32 7.37 1wdlC1 ILE 309 H 0.12 0.60 0.31 -0.55 8.25 8.74 1wdlC1 ILE 309 HA 0.08 0.27 1.18 -0.75 4.18 4.95 1wdlC1 ILE 309 HB 0.04 -0.04 0.10 -0.04 1.89 1.95 1wdlC1 ILE 309 HG12 0.03 0.01 -0.26 -0.04 1.49 1.23 1wdlC1 ILE 309 HG13 0.01 0.06 -0.44 -0.04 1.21 0.80 1wdlC1 ILE 309 HG23 0.03 -0.04 -0.16 -0.04 0.93 0.72 1wdlC1 ILE 309 HD13 -0.00 0.01 -0.16 -0.04 0.88 0.69 1wdlC1 GLU 310 H 0.05 0.80 0.37 -0.55 8.60 9.27 1wdlC1 GLU 310 HA 0.03 0.05 0.96 -0.75 4.29 4.56 1wdlC1 GLU 310 HB2 0.01 0.05 0.16 -0.04 2.09 2.27 1wdlC1 GLU 310 HB3 0.00 -0.09 0.01 -0.04 1.99 1.87 1wdlC1 GLU 310 HG2 -0.01 0.01 -0.23 -0.04 2.34 2.07 1wdlC1 GLU 310 HG3 -0.04 0.17 -0.02 -0.04 2.34 2.41 1wdlC1 LEU 311 H 0.05 0.21 0.02 -0.55 8.37 8.09 1wdlC1 LEU 311 HA 0.01 0.36 0.96 -0.75 4.35 4.93 1wdlC1 LEU 311 HB2 0.02 0.06 -0.09 -0.04 1.64 1.59 1wdlC1 LEU 311 HB3 0.06 -0.01 0.05 -0.04 1.64 1.70 1wdlC1 LEU 311 HG 0.03 -0.09 -0.33 -0.04 1.64 1.21 1wdlC1 LEU 311 HD13 -0.02 0.02 -0.08 -0.04 0.93 0.80 1wdlC1 LEU 311 HD23 -0.01 0.00 -0.06 -0.04 0.89 0.78 1wdlC1 ASN 312 H -0.00 0.49 0.23 -0.55 8.53 8.71 1wdlC1 ASN 312 HA 0.00 -0.01 0.36 -0.75 4.76 4.36 1wdlC1 ASN 312 HB2 0.00 0.12 0.06 -0.04 2.88 3.02 1wdlC1 ASN 312 HB3 -0.05 -0.10 0.21 -0.04 2.79 2.80 1wdlC1 ASN 312 HD21 0.16 0.00 -0.11 -0.04 7.03 7.04 1wdlC1 ASN 312 HD22 0.05 0.05 -0.04 -0.04 7.74 7.76 1wdlC1 GLU 313 H -0.00 -0.02 0.24 -0.55 8.60 8.27 1wdlC1 GLU 313 HA 0.06 0.11 0.46 -0.75 4.29 4.16 1wdlC1 GLU 313 HB2 0.00 -0.30 0.19 -0.04 2.09 1.94 1wdlC1 GLU 313 HB3 0.16 0.06 -0.07 -0.04 1.99 2.10 1wdlC1 GLU 313 HG2 0.25 0.14 -0.00 -0.04 2.34 2.69 1wdlC1 GLU 313 HG3 0.04 0.04 0.18 -0.04 2.34 2.56 1wdlC1 ALA 314 H -0.13 0.35 0.23 -0.55 8.40 8.30 1wdlC1 ALA 314 HA -0.49 0.07 0.47 -0.75 4.34 3.63 1wdlC1 ALA 314 HB3 -0.39 -0.00 0.07 -0.04 1.41 1.05 1wdlC1 PHE 315 H -0.02 0.18 0.12 -0.55 8.34 8.07 1wdlC1 PHE 315 HA 0.06 0.45 0.76 -0.75 4.62 5.14 1wdlC1 PHE 315 HB2 -0.02 -0.09 0.02 -0.04 3.15 3.02 1wdlC1 PHE 315 HB3 0.02 -0.04 0.04 -0.04 3.06 3.04 1wdlC1 PHE 315 HD2 0.02 0.00 -0.04 -0.04 7.28 7.22 1wdlC1 PHE 315 HE2 0.03 0.01 -0.11 -0.04 7.38 7.28 1wdlC1 PHE 315 HZ -0.08 -0.08 -0.19 -0.04 7.32 6.93 1wdlC1 ALA 316 H 0.23 0.56 0.20 -0.55 8.40 8.85 1wdlC1 ALA 316 HA 0.08 0.07 0.45 -0.75 4.34 4.18 1wdlC1 ALA 316 HB3 0.20 0.04 0.14 -0.04 1.41 1.75 1wdlC1 ALA 317 H 0.13 0.03 -0.30 -0.55 8.40 7.71 1wdlC1 ALA 317 HA -0.01 0.15 0.33 -0.75 4.34 4.05 1wdlC1 ALA 317 HB3 -0.00 0.01 -0.02 -0.04 1.41 1.36 1wdlC1 GLN 318 H 0.08 0.25 -0.48 -0.55 8.47 7.77 1wdlC1 GLN 318 HA -0.03 0.26 0.84 -0.75 4.36 4.68 1wdlC1 GLN 318 HB2 0.05 0.09 0.04 -0.04 2.15 2.28 1wdlC1 GLN 318 HB3 0.12 -0.06 -0.05 -0.04 2.02 1.99 1wdlC1 GLN 318 HG2 0.23 -0.07 0.06 -0.04 2.40 2.57 1wdlC1 GLN 318 HG3 0.11 0.30 0.29 -0.04 2.39 3.05 1wdlC1 GLN 318 HE21 -0.03 0.01 -0.07 -0.04 6.97 6.84 1wdlC1 GLN 318 HE22 -0.00 0.09 -0.11 -0.04 7.69 7.63 1wdlC1 ALA 319 H -0.04 0.45 0.15 -0.55 8.40 8.41 1wdlC1 ALA 319 HA -0.07 0.07 0.38 -0.75 4.34 3.96 1wdlC1 ALA 319 HB3 -0.12 -0.01 0.05 -0.04 1.41 1.29 1wdlC1 LEU 320 H -0.31 0.35 -0.13 -0.55 8.37 7.74 1wdlC1 LEU 320 HA -0.28 0.03 0.34 -0.75 4.35 3.69 1wdlC1 LEU 320 HB2 -0.16 0.09 -0.01 -0.04 1.64 1.51 1wdlC1 LEU 320 HB3 -0.15 -0.00 -0.07 -0.04 1.64 1.38 1wdlC1 LEU 320 HG -0.62 0.01 0.13 -0.04 1.64 1.13 1wdlC1 LEU 320 HD13 -0.11 0.00 -0.17 -0.04 0.93 0.62 1wdlC1 LEU 320 HD23 -0.47 -0.01 -0.01 -0.04 0.89 0.36 1wdlC1 PRO 321 HA -0.11 0.08 0.40 -0.51 4.44 4.29 1wdlC1 PRO 321 HB2 -0.29 0.04 -0.00 -0.04 2.28 1.98 1wdlC1 PRO 321 HB3 -1.10 0.04 0.03 -0.04 2.02 0.96 1wdlC1 PRO 321 HG2 -0.15 0.25 0.02 -0.04 2.03 2.11 1wdlC1 PRO 321 HG3 -0.12 0.02 -0.05 -0.04 2.03 1.84 1wdlC1 PRO 321 HD2 -0.12 -0.02 -0.73 -0.04 3.68 2.77 1wdlC1 PRO 321 HD3 -0.13 0.05 -0.22 -0.04 3.65 3.32 1wdlC1 VAL 322 H -0.12 0.50 -0.26 -0.55 8.24 7.81 1wdlC1 VAL 322 HA -0.16 0.00 0.35 -0.75 4.13 3.58 1wdlC1 VAL 322 HB -0.09 0.13 0.10 -0.04 2.12 2.23 1wdlC1 VAL 322 HG13 -0.12 -0.04 -0.20 -0.04 0.97 0.58 1wdlC1 VAL 322 HG23 -0.12 0.04 0.07 -0.04 0.95 0.90 1wdlC1 LEU 323 H -0.09 0.53 -0.22 -0.55 8.37 8.05 1wdlC1 LEU 323 HA -0.03 0.06 0.30 -0.75 4.35 3.91 1wdlC1 LEU 323 HB2 -0.07 0.12 0.08 -0.04 1.64 1.72 1wdlC1 LEU 323 HB3 -0.02 -0.08 -0.14 -0.04 1.64 1.36 1wdlC1 LEU 323 HG -0.06 0.21 -0.01 -0.04 1.64 1.74 1wdlC1 LEU 323 HD13 0.00 -0.03 -0.12 -0.04 0.93 0.74 1wdlC1 LEU 323 HD23 0.01 -0.01 -0.14 -0.04 0.89 0.71 1wdlC1 LYS 324 H -0.03 0.49 -0.27 -0.55 8.42 8.06 1wdlC1 LYS 324 HA 0.01 -0.11 0.51 -0.75 4.32 3.97 1wdlC1 LYS 324 HB2 0.01 0.02 0.10 -0.04 1.87 1.95 1wdlC1 LYS 324 HB3 0.06 0.12 0.18 -0.04 1.79 2.11 1wdlC1 LYS 324 HG2 0.06 0.02 -0.17 -0.04 1.46 1.33 1wdlC1 LYS 324 HG3 0.03 -0.08 0.05 -0.04 1.46 1.41 1wdlC1 LYS 324 HD2 0.04 -0.01 -0.00 -0.04 1.69 1.68 1wdlC1 LYS 324 HD3 0.04 -0.02 -0.01 -0.04 1.68 1.66 1wdlC1 LYS 324 HE2 0.15 -0.02 -0.02 -0.04 2.99 3.06 1wdlC1 LYS 324 HE3 0.11 0.12 0.04 -0.04 2.99 3.21 1wdlC1 ASP 325 H 0.04 0.60 0.01 -0.55 8.40 8.50 1wdlC1 ASP 325 HA 0.07 0.08 0.46 -0.75 4.63 4.48 1wdlC1 ASP 325 HB2 0.07 0.07 0.12 -0.04 2.71 2.93 1wdlC1 ASP 325 HB3 0.07 -0.02 -0.02 -0.04 2.70 2.69 1wdlC1 LEU 326 H -0.02 0.37 -0.42 -0.55 8.37 7.75 1wdlC1 LEU 326 HA -0.03 0.05 0.44 -0.75 4.35 4.06 1wdlC1 LEU 326 HB2 -0.03 0.01 -0.01 -0.04 1.64 1.57 1wdlC1 LEU 326 HB3 -0.03 -0.01 -0.03 -0.04 1.64 1.53 1wdlC1 LEU 326 HG -0.08 0.10 -0.04 -0.04 1.64 1.58 1wdlC1 LEU 326 HD13 -0.05 -0.05 -0.25 -0.04 0.93 0.55 1wdlC1 LEU 326 HD23 -0.06 -0.01 -0.09 -0.04 0.89 0.69 1wdlC1 LYS 327 H 0.00 0.23 -0.92 -0.55 8.42 7.18 1wdlC1 LYS 327 HA 0.00 0.04 0.35 -0.75 4.32 3.95 1wdlC1 LYS 327 HB2 -0.01 0.14 -0.12 -0.04 1.87 1.84 1wdlC1 LYS 327 HB3 -0.00 -0.08 0.15 -0.04 1.79 1.82 1wdlC1 LYS 327 HG2 0.01 -0.02 0.03 -0.04 1.46 1.43 1wdlC1 LYS 327 HG3 0.01 0.19 -0.22 -0.04 1.46 1.39 1wdlC1 LYS 327 HD2 -0.00 -0.01 -0.06 -0.04 1.69 1.57 1wdlC1 LYS 327 HD3 -0.00 -0.05 -0.01 -0.04 1.68 1.58 1wdlC1 LYS 327 HE2 0.01 -0.03 0.00 -0.04 2.99 2.93 1wdlC1 LYS 327 HE3 0.01 0.07 0.00 -0.04 2.99 3.03 1wdlC1 VAL 328 H -0.01 0.42 0.05 -0.55 8.24 8.15 1wdlC1 VAL 328 HA -0.01 0.19 0.61 -0.75 4.13 4.16 1wdlC1 VAL 328 HB -0.01 -0.03 0.01 -0.04 2.12 2.04 1wdlC1 VAL 328 HG13 -0.02 0.09 -0.32 -0.04 0.97 0.68 1wdlC1 VAL 328 HG23 -0.01 -0.02 -0.26 -0.04 0.95 0.61 1wdlC1 LEU 329 H -0.00 0.18 0.06 -0.55 8.37 8.06 1wdlC1 LEU 329 HA 0.01 0.08 0.37 -0.75 4.35 4.05 1wdlC1 LEU 329 HB2 -0.00 0.04 -0.06 -0.04 1.64 1.57 1wdlC1 LEU 329 HB3 0.01 0.04 -0.01 -0.04 1.64 1.64 1wdlC1 LEU 329 HG -0.02 -0.02 -0.00 -0.04 1.64 1.55 1wdlC1 LEU 329 HD13 -0.01 0.01 -0.03 -0.04 0.93 0.86 1wdlC1 LEU 329 HD23 0.01 -0.01 -0.06 -0.04 0.89 0.80 1wdlC1 ASP 330 H 0.00 0.14 -0.24 -0.55 8.40 7.76 1wdlC1 ASP 330 HA 0.01 0.10 0.46 -0.75 4.63 4.45 1wdlC1 ASP 330 HB2 0.00 0.04 0.10 -0.04 2.71 2.82 1wdlC1 ASP 330 HB3 0.01 -0.02 0.03 -0.04 2.70 2.68 1wdlC1 LYS 331 H 0.01 0.31 -0.92 -0.55 8.42 7.27 1wdlC1 LYS 331 HA -0.00 0.20 0.77 -0.75 4.32 4.53 1wdlC1 LYS 331 HB2 -0.02 0.13 -0.04 -0.04 1.87 1.90 1wdlC1 LYS 331 HB3 -0.03 0.05 0.06 -0.04 1.79 1.83 1wdlC1 LYS 331 HG2 -0.01 -0.24 -0.33 -0.04 1.46 0.84 1wdlC1 LYS 331 HG3 -0.02 0.11 -0.06 -0.04 1.46 1.45 1wdlC1 LYS 331 HD2 -0.01 0.11 -0.22 -0.04 1.69 1.53 1wdlC1 LYS 331 HD3 -0.02 -0.03 -0.15 -0.04 1.68 1.44 1wdlC1 LYS 331 HE2 -0.04 0.06 -0.03 -0.04 2.99 2.94 1wdlC1 LYS 331 HE3 -0.04 0.01 -0.01 -0.04 2.99 2.91 1wdlC1 MET 332 H 0.03 0.28 -0.16 -0.55 8.47 8.07 1wdlC1 MET 332 HA 0.05 0.05 0.34 -0.75 4.52 4.20 1wdlC1 MET 332 HB2 0.07 0.11 0.21 -0.04 2.15 2.50 1wdlC1 MET 332 HB3 0.07 -0.12 0.18 -0.04 2.03 2.12 1wdlC1 MET 332 HG2 0.10 0.08 -0.19 -0.04 2.63 2.58 1wdlC1 MET 332 HG3 0.16 -0.02 -0.01 -0.04 2.56 2.65 1wdlC1 MET 332 HE3 0.10 -0.02 -0.00 -0.04 2.10 2.14 1wdlC1 ASN 333 H 0.04 0.12 -0.04 -0.55 8.53 8.11 1wdlC1 ASN 333 HA 0.04 0.08 0.33 -0.75 4.76 4.45 1wdlC1 ASN 333 HB2 0.03 0.00 -0.02 -0.04 2.88 2.85 1wdlC1 ASN 333 HB3 0.03 0.05 0.08 -0.04 2.79 2.90 1wdlC1 ASN 333 HD21 0.05 -0.02 0.02 -0.04 7.03 7.04 1wdlC1 ASN 333 HD22 0.04 -0.01 0.04 -0.04 7.74 7.77 1wdlC1 GLU 334 H 0.02 0.20 -0.99 -0.55 8.60 7.29 1wdlC1 GLU 334 HA 0.03 0.15 0.86 -0.75 4.29 4.58 1wdlC1 GLU 334 HB2 0.00 -0.12 -0.03 -0.04 2.09 1.89 1wdlC1 GLU 334 HB3 -0.02 0.13 0.07 -0.04 1.99 2.12 1wdlC1 GLU 334 HG2 -0.05 0.08 0.03 -0.04 2.34 2.36 1wdlC1 GLU 334 HG3 -0.01 -0.04 0.08 -0.04 2.34 2.33 1wdlC1 LYS 335 H 0.01 0.43 0.20 -0.55 8.42 8.51 1wdlC1 LYS 335 HA 0.12 0.06 0.55 -0.75 4.32 4.30 1wdlC1 LYS 335 HB2 -0.28 0.09 0.42 -0.04 1.87 2.06 1wdlC1 LYS 335 HB3 -0.29 0.14 -0.06 -0.04 1.79 1.54 1wdlC1 LYS 335 HG2 -0.07 -0.02 -0.09 -0.04 1.46 1.24 1wdlC1 LYS 335 HG3 -0.04 -0.12 -0.17 -0.04 1.46 1.08 1wdlC1 LYS 335 HD2 -0.07 -0.12 -0.07 -0.04 1.69 1.39 1wdlC1 LYS 335 HD3 -0.13 0.01 -0.16 -0.04 1.68 1.36 1wdlC1 LYS 335 HE2 -0.26 0.16 0.10 -0.04 2.99 2.95 1wdlC1 LYS 335 HE3 -0.12 -0.14 -0.01 -0.04 2.99 2.68 1wdlC1 VAL 336 H 0.05 0.51 0.14 -0.55 8.24 8.40 1wdlC1 VAL 336 HA 0.06 0.24 1.14 -0.75 4.13 4.82 1wdlC1 VAL 336 HB 0.08 -0.05 0.13 -0.04 2.12 2.23 1wdlC1 VAL 336 HG13 0.09 -0.04 -0.17 -0.04 0.97 0.81 1wdlC1 VAL 336 HG23 0.03 0.02 -0.28 -0.04 0.95 0.68 1wdlC1 ASN 337 H 0.04 0.71 0.30 -0.55 8.53 9.03 1wdlC1 ASN 337 HA -0.01 0.02 0.38 -0.75 4.76 4.40 1wdlC1 ASN 337 HB2 0.02 0.16 -0.07 -0.04 2.88 2.95 1wdlC1 ASN 337 HB3 -0.01 -0.01 0.03 -0.04 2.79 2.76 1wdlC1 ASN 337 HD21 0.05 0.38 0.05 -0.04 7.03 7.48 1wdlC1 ASN 337 HD22 0.02 -0.07 -0.06 -0.04 7.74 7.59 1wdlC1 LEU 338 H -0.11 0.15 -0.11 -0.55 8.37 7.75 1wdlC1 LEU 338 HA -0.03 0.16 0.35 -0.75 4.35 4.07 1wdlC1 LEU 338 HB2 -0.42 -0.00 -0.04 -0.04 1.64 1.14 1wdlC1 LEU 338 HB3 -0.11 0.06 0.08 -0.04 1.64 1.63 1wdlC1 LEU 338 HG 0.05 -0.14 -0.21 -0.04 1.64 1.30 1wdlC1 LEU 338 HD13 0.12 0.05 -0.08 -0.04 0.93 0.99 1wdlC1 LEU 338 HD23 0.05 0.02 -0.28 -0.04 0.89 0.64 1wdlC1 HIS 339 H -0.05 -0.01 -0.54 -0.55 8.41 7.27 1wdlC1 HIS 339 HA -0.08 0.37 0.85 -0.75 4.63 5.01 1wdlC1 HIS 339 HB2 0.12 -0.04 -0.07 -0.04 3.26 3.23 1wdlC1 HIS 339 HB3 -0.10 -0.02 0.10 -0.04 3.20 3.14 1wdlC1 HIS 339 HD2 0.05 -0.00 -0.10 -0.04 6.97 6.88 1wdlC1 HIS 339 HE1 -0.13 0.04 -0.08 -0.04 7.75 7.54 1wdlC1 GLY 340 H 0.03 0.34 -0.22 -0.55 8.43 8.03 1wdlC1 GLY 340 HA2 -0.04 0.01 0.38 -0.51 4.01 3.85 1wdlC1 GLY 340 HA3 0.05 0.19 0.66 -0.51 4.01 4.41 1wdlC1 GLY 341 H -0.09 0.04 0.13 -0.55 8.43 7.97 1wdlC1 GLY 341 HA2 0.01 0.33 0.85 -0.51 4.01 4.69 1wdlC1 GLY 341 HA3 -0.04 -0.02 0.37 -0.51 4.01 3.81 1wdlC1 ALA 342 H -0.01 0.02 0.16 -0.55 8.40 8.02 1wdlC1 ALA 342 HA 0.02 0.31 0.18 -0.75 4.34 4.10 1wdlC1 ALA 342 HB3 -0.00 0.10 -0.10 -0.04 1.41 1.37 1wdlC1 ILE 343 H -0.06 -0.01 -0.49 -0.55 8.25 7.14 1wdlC1 ILE 343 HA -0.02 0.16 0.30 -0.75 4.18 3.86 1wdlC1 ILE 343 HB -0.17 -0.10 -0.04 -0.04 1.89 1.54 1wdlC1 ILE 343 HG12 0.04 0.09 -0.61 -0.04 1.49 0.96 1wdlC1 ILE 343 HG13 0.00 -0.12 -0.19 -0.04 1.21 0.86 1wdlC1 ILE 343 HG23 -0.05 0.04 -0.10 -0.04 0.93 0.79 1wdlC1 ILE 343 HD13 0.12 -0.02 -0.14 -0.04 0.88 0.79 1wdlC1 ALA 344 H -0.16 0.18 -0.18 -0.55 8.40 7.70 1wdlC1 ALA 344 HA -0.16 0.28 0.76 -0.75 4.34 4.46 1wdlC1 ALA 344 HB3 -0.28 -0.00 -0.09 -0.04 1.41 1.00 1wdlC1 LEU 345 H -0.03 0.49 0.06 -0.55 8.37 8.34 1wdlC1 LEU 345 HA 0.02 0.13 0.68 -0.75 4.35 4.42 1wdlC1 LEU 345 HB2 0.01 -0.03 -0.24 -0.04 1.64 1.34 1wdlC1 LEU 345 HB3 -0.02 -0.02 0.01 -0.04 1.64 1.57 1wdlC1 LEU 345 HG 0.05 -0.10 -0.15 -0.04 1.64 1.39 1wdlC1 LEU 345 HD13 0.11 0.03 -0.31 -0.04 0.93 0.73 1wdlC1 LEU 345 HD23 0.10 0.04 -0.12 -0.04 0.89 0.87 1wdlC1 GLY 346 H 0.01 0.16 -0.41 -0.55 8.43 7.64 1wdlC1 GLY 346 HA2 0.02 -0.08 0.33 -0.51 4.01 3.77 1wdlC1 GLY 346 HA3 -0.00 0.04 0.26 -0.51 4.01 3.80 1wdlC1 HIS 347 H 0.05 0.63 0.14 -0.55 8.41 8.69 1wdlC1 HIS 347 HA -0.01 0.23 0.87 -0.75 4.63 4.97 1wdlC1 HIS 347 HB2 -0.01 -0.01 -0.12 -0.04 3.26 3.09 1wdlC1 HIS 347 HB3 0.02 0.03 0.09 -0.04 3.20 3.30 1wdlC1 HIS 347 HD2 0.34 -0.02 0.02 -0.04 6.97 7.27 1wdlC1 HIS 347 HE1 0.01 0.06 -0.09 -0.04 7.75 7.69 1wdlC1 PRO 348 HA -0.26 0.09 0.68 -0.51 4.44 4.44 1wdlC1 PRO 348 HB2 -0.13 -0.16 0.10 -0.04 2.28 2.05 1wdlC1 PRO 348 HB3 -0.15 0.18 0.22 -0.04 2.02 2.23 1wdlC1 PRO 348 HG2 -0.10 0.07 -0.22 -0.04 2.03 1.74 1wdlC1 PRO 348 HG3 -0.12 0.11 -0.27 -0.04 2.03 1.71 1wdlC1 PRO 348 HD2 -0.07 0.05 -0.04 -0.04 3.68 3.58 1wdlC1 PRO 348 HD3 -0.04 0.25 -0.56 -0.04 3.65 3.26 1wdlC1 PHE 349 H -0.32 0.25 0.26 -0.55 8.34 7.97 1wdlC1 PHE 349 HA -0.41 0.07 0.30 -0.75 4.62 3.83 1wdlC1 PHE 349 HB2 -0.08 -0.14 0.20 -0.04 3.15 3.10 1wdlC1 PHE 349 HB3 -0.06 0.06 -0.01 -0.04 3.06 3.01 1wdlC1 PHE 349 HD2 -0.17 0.00 0.08 -0.04 7.28 7.15 1wdlC1 PHE 349 HE2 0.12 0.04 0.05 -0.04 7.38 7.55 1wdlC1 PHE 349 HZ 0.09 0.00 0.05 -0.04 7.32 7.42 1wdlC1 GLY 350 H 0.08 0.03 -0.04 -0.55 8.43 7.96 1wdlC1 GLY 350 HA2 -0.02 0.01 0.24 -0.51 4.01 3.73 1wdlC1 GLY 350 HA3 -0.01 0.12 0.20 -0.51 4.01 3.81 1wdlC1 CYS 351 H -0.10 0.61 -0.63 -0.55 8.50 7.84 1wdlC1 CYS 351 HA -0.20 0.12 0.81 -0.75 4.58 4.56 1wdlC1 CYS 351 HB2 -0.13 0.09 -0.26 -0.04 2.97 2.63 1wdlC1 CYS 351 HB3 -0.11 -0.02 -0.07 -0.04 2.97 2.73 1wdlC1 SER 352 H -0.11 0.65 0.04 -0.55 8.46 8.49 1wdlC1 SER 352 HA 0.01 0.04 0.24 -0.75 4.49 4.02 1wdlC1 SER 352 HB2 0.11 0.13 -0.04 -0.04 3.95 4.11 1wdlC1 SER 352 HB3 0.20 -0.05 -0.05 -0.04 3.93 3.99 1wdlC1 GLY 353 H -0.04 0.14 -0.50 -0.55 8.43 7.48 1wdlC1 GLY 353 HA2 -0.01 0.09 0.22 -0.51 4.01 3.79 1wdlC1 GLY 353 HA3 -0.05 -0.26 0.13 -0.51 4.01 3.32 1wdlC1 ALA 354 H -0.07 0.19 -0.21 -0.55 8.40 7.76 1wdlC1 ALA 354 HA -0.03 0.12 0.38 -0.75 4.34 4.06 1wdlC1 ALA 354 HB3 -0.01 0.07 -0.13 -0.04 1.41 1.30 1wdlC1 ARG 355 H 0.00 0.29 -0.36 -0.55 8.46 7.84 1wdlC1 ARG 355 HA 0.30 0.10 0.27 -0.75 4.34 4.27 1wdlC1 ARG 355 HB2 0.03 0.05 -0.16 -0.04 1.90 1.77 1wdlC1 ARG 355 HB3 0.03 -0.02 -0.04 -0.04 1.80 1.73 1wdlC1 ARG 355 HG2 0.13 0.01 -0.12 -0.04 1.67 1.66 1wdlC1 ARG 355 HG3 0.03 0.02 -0.16 -0.04 1.67 1.52 1wdlC1 ARG 355 HD2 -0.01 0.08 -0.17 -0.04 3.22 3.08 1wdlC1 ARG 355 HD3 0.02 -0.06 -0.17 -0.04 3.22 2.97 1wdlC1 ILE 356 H -0.01 0.54 -0.16 -0.55 8.25 8.07 1wdlC1 ILE 356 HA -0.02 0.07 0.31 -0.75 4.18 3.79 1wdlC1 ILE 356 HB -0.00 -0.03 -0.09 -0.04 1.89 1.72 1wdlC1 ILE 356 HG12 -0.00 0.31 0.06 -0.04 1.49 1.81 1wdlC1 ILE 356 HG13 -0.01 0.04 -0.21 -0.04 1.21 0.99 1wdlC1 ILE 356 HG23 0.03 -0.00 -0.04 -0.04 0.93 0.87 1wdlC1 ILE 356 HD13 0.02 -0.02 -0.16 -0.04 0.88 0.67 1wdlC1 SER 357 H -0.10 0.23 -0.47 -0.55 8.46 7.57 1wdlC1 SER 357 HA -0.16 0.03 0.38 -0.75 4.49 3.99 1wdlC1 SER 357 HB2 -0.11 0.07 0.05 -0.04 3.95 3.92 1wdlC1 SER 357 HB3 -0.10 0.00 -0.08 -0.04 3.93 3.71 1wdlC1 GLY 358 H -0.59 0.75 -0.14 -0.55 8.43 7.90 1wdlC1 GLY 358 HA2 -1.03 0.04 0.31 -0.51 4.01 2.83 1wdlC1 GLY 358 HA3 -3.27 0.09 0.23 -0.51 4.01 0.55 1wdlC1 THR 359 H -0.34 0.56 -0.23 -0.55 8.28 7.73 1wdlC1 THR 359 HA 0.08 0.06 0.33 -0.75 4.39 4.10 1wdlC1 THR 359 HB 0.01 0.02 -0.00 -0.04 4.32 4.31 1wdlC1 THR 359 HG23 0.30 -0.01 -0.12 -0.04 1.22 1.35 1wdlC1 LEU 360 H -0.20 0.39 -0.48 -0.55 8.37 7.52 1wdlC1 LEU 360 HA -0.10 -0.05 0.26 -0.75 4.35 3.72 1wdlC1 LEU 360 HB2 -0.08 -0.05 0.02 -0.04 1.64 1.49 1wdlC1 LEU 360 HB3 -0.27 0.27 0.15 -0.04 1.64 1.75 1wdlC1 LEU 360 HG -0.16 0.05 -0.49 -0.04 1.64 0.99 1wdlC1 LEU 360 HD13 0.04 -0.03 -0.16 -0.04 0.93 0.74 1wdlC1 LEU 360 HD23 0.01 -0.03 -0.36 -0.04 0.89 0.47 1wdlC1 LEU 361 H -0.34 0.46 -0.30 -0.55 8.37 7.65 1wdlC1 LEU 361 HA -0.19 -0.00 0.32 -0.75 4.35 3.73 1wdlC1 LEU 361 HB2 -0.21 0.14 0.04 -0.04 1.64 1.56 1wdlC1 LEU 361 HB3 -0.17 0.08 -0.08 -0.04 1.64 1.44 1wdlC1 LEU 361 HG -0.61 0.33 0.03 -0.04 1.64 1.35 1wdlC1 LEU 361 HD13 -0.30 -0.02 -0.17 -0.04 0.93 0.40 1wdlC1 LEU 361 HD23 -0.83 -0.04 -0.15 -0.04 0.89 -0.17 1wdlC1 ASN 362 H -0.08 0.39 -0.19 -0.55 8.53 8.11 1wdlC1 ASN 362 HA -0.01 0.05 0.36 -0.75 4.76 4.40 1wdlC1 ASN 362 HB2 0.11 0.08 0.11 -0.04 2.88 3.13 1wdlC1 ASN 362 HB3 0.08 0.02 0.02 -0.04 2.79 2.86 1wdlC1 ASN 362 HD21 0.12 0.04 -0.08 -0.04 7.03 7.07 1wdlC1 ASN 362 HD22 0.05 0.01 -0.01 -0.04 7.74 7.75 1wdlC1 VAL 363 H -0.08 0.40 -0.43 -0.55 8.24 7.57 1wdlC1 VAL 363 HA -0.11 0.05 0.39 -0.75 4.13 3.71 1wdlC1 VAL 363 HB -0.27 0.16 0.09 -0.04 2.12 2.07 1wdlC1 VAL 363 HG13 -0.66 -0.03 -0.15 -0.04 0.97 0.10 1wdlC1 VAL 363 HG23 -0.33 0.08 -0.06 -0.04 0.95 0.61 1wdlC1 MET 364 H -0.20 0.48 -0.11 -0.55 8.47 8.09 1wdlC1 MET 364 HA -0.36 -0.02 0.30 -0.75 4.52 3.69 1wdlC1 MET 364 HB2 -0.08 0.16 0.11 -0.04 2.15 2.30 1wdlC1 MET 364 HB3 -0.00 0.07 -0.17 -0.04 2.03 1.88 1wdlC1 MET 364 HG2 0.17 -0.07 -0.14 -0.04 2.63 2.54 1wdlC1 MET 364 HG3 -0.04 0.20 -0.06 -0.04 2.56 2.61 1wdlC1 MET 364 HE3 -0.05 -0.01 -0.26 -0.04 2.10 1.74 1wdlC1 LYS 365 H -0.09 0.71 -0.02 -0.55 8.42 8.47 1wdlC1 LYS 365 HA -0.03 0.04 0.37 -0.75 4.32 3.94 1wdlC1 LYS 365 HB2 -0.03 0.07 0.10 -0.04 1.87 1.96 1wdlC1 LYS 365 HB3 -0.03 0.01 0.10 -0.04 1.79 1.82 1wdlC1 LYS 365 HG2 -0.01 -0.02 -0.17 -0.04 1.46 1.21 1wdlC1 LYS 365 HG3 -0.01 0.00 0.05 -0.04 1.46 1.46 1wdlC1 LYS 365 HD2 -0.00 0.04 -0.00 -0.04 1.69 1.68 1wdlC1 LYS 365 HD3 0.00 -0.04 -0.03 -0.04 1.68 1.57 1wdlC1 LYS 365 HE2 0.00 -0.04 -0.02 -0.04 2.99 2.89 1wdlC1 LYS 365 HE3 0.00 0.03 -0.00 -0.04 2.99 2.98 1wdlC1 GLN 366 H -0.08 0.45 -0.35 -0.55 8.47 7.94 1wdlC1 GLN 366 HA -0.03 0.02 0.51 -0.75 4.36 4.11 1wdlC1 GLN 366 HB2 -0.06 0.11 0.18 -0.04 2.15 2.34 1wdlC1 GLN 366 HB3 -0.03 -0.09 0.05 -0.04 2.02 1.90 1wdlC1 GLN 366 HG2 -0.02 -0.07 0.05 -0.04 2.40 2.31 1wdlC1 GLN 366 HG3 -0.02 0.05 0.10 -0.04 2.39 2.48 1wdlC1 GLN 366 HE21 -0.01 0.11 0.02 -0.04 6.97 7.04 1wdlC1 GLN 366 HE22 0.03 -0.02 0.01 -0.04 7.69 7.67 1wdlC1 ASN 367 H -0.19 0.46 -0.20 -0.55 8.53 8.05 1wdlC1 ASN 367 HA -0.02 0.15 0.92 -0.75 4.76 5.06 1wdlC1 ASN 367 HB2 -0.64 0.03 0.07 -0.04 2.88 2.31 1wdlC1 ASN 367 HB3 0.12 -0.05 0.17 -0.04 2.79 2.99 1wdlC1 ASN 367 HD21 -0.17 -0.10 -0.03 -0.04 7.03 6.69 1wdlC1 ASN 367 HD22 -0.61 0.08 -0.00 -0.04 7.74 7.17 1wdlC1 GLY 368 H -0.01 0.28 -0.33 -0.55 8.43 7.83 1wdlC1 GLY 368 HA2 0.03 0.04 0.30 -0.51 4.01 3.87 1wdlC1 GLY 368 HA3 0.05 -0.07 0.33 -0.51 4.01 3.81 1wdlC1 GLY 369 H 0.06 0.44 -0.13 -0.55 8.43 8.26 1wdlC1 GLY 369 HA2 0.26 0.11 0.61 -0.51 4.01 4.49 1wdlC1 GLY 369 HA3 0.39 -0.08 0.21 -0.51 4.01 4.02 1wdlC1 THR 370 H 0.15 0.04 0.21 -0.55 8.28 8.13 1wdlC1 THR 370 HA -0.05 0.27 1.01 -0.75 4.39 4.87 1wdlC1 THR 370 HB 0.23 -0.06 0.22 -0.04 4.32 4.68 1wdlC1 THR 370 HG23 -0.34 0.03 0.00 -0.04 1.22 0.87 1wdlC1 PHE 371 H 0.30 0.10 0.29 -0.55 8.34 8.48 1wdlC1 PHE 371 HA 0.07 0.33 1.07 -0.75 4.62 5.34 1wdlC1 PHE 371 HB2 0.02 0.10 0.23 -0.04 3.15 3.47 1wdlC1 PHE 371 HB3 0.03 0.02 0.00 -0.04 3.06 3.07 1wdlC1 PHE 371 HD2 0.02 -0.01 0.04 -0.04 7.28 7.29 1wdlC1 PHE 371 HE2 0.01 0.01 -0.02 -0.04 7.38 7.34 1wdlC1 PHE 371 HZ 0.01 0.00 -0.02 -0.04 7.32 7.27 1wdlC1 GLY 372 H 0.20 0.52 0.20 -0.55 8.43 8.79 1wdlC1 GLY 372 HA2 0.18 0.22 1.04 -0.51 4.01 4.94 1wdlC1 GLY 372 HA3 0.15 -0.01 0.22 -0.51 4.01 3.86 1wdlC1 LEU 373 H 0.12 0.60 0.34 -0.55 8.37 8.89 1wdlC1 LEU 373 HA 0.15 0.31 1.09 -0.75 4.35 5.15 1wdlC1 LEU 373 HB2 0.07 0.07 -0.15 -0.04 1.64 1.59 1wdlC1 LEU 373 HB3 0.06 0.03 0.07 -0.04 1.64 1.76 1wdlC1 LEU 373 HG 0.05 -0.11 -0.43 -0.04 1.64 1.10 1wdlC1 LEU 373 HD13 0.04 0.04 -0.13 -0.04 0.93 0.84 1wdlC1 LEU 373 HD23 0.01 -0.00 -0.15 -0.04 0.89 0.70 1wdlC1 SER 374 H 0.17 0.65 0.33 -0.55 8.46 9.06 1wdlC1 SER 374 HA 0.06 0.22 1.06 -0.75 4.49 5.07 1wdlC1 SER 374 HB2 0.06 -0.03 -0.07 -0.04 3.95 3.86 1wdlC1 SER 374 HB3 0.08 0.03 -0.06 -0.04 3.93 3.94 1wdlC1 THR 375 H 0.03 0.59 0.34 -0.55 8.28 8.70 1wdlC1 THR 375 HA 0.02 0.30 0.98 -0.75 4.39 4.94 1wdlC1 THR 375 HB 0.01 -0.00 -0.12 -0.04 4.32 4.17 1wdlC1 THR 375 HG23 -0.01 -0.02 -0.16 -0.04 1.22 0.99 1wdlC1 MET 376 H -0.01 0.53 0.33 -0.55 8.47 8.76 1wdlC1 MET 376 HA -0.03 0.06 0.73 -0.75 4.52 4.52 1wdlC1 MET 376 HB2 -0.02 0.00 0.03 -0.04 2.15 2.12 1wdlC1 MET 376 HB3 -0.00 0.04 -0.21 -0.04 2.03 1.82 1wdlC1 MET 376 HG2 -0.01 0.06 -0.05 -0.04 2.63 2.58 1wdlC1 MET 376 HG3 -0.01 -0.00 -0.34 -0.04 2.56 2.16 1wdlC1 MET 376 HE3 0.09 -0.02 -0.31 -0.04 2.10 1.82 1wdlC1 CYS 377 H -0.05 0.11 0.17 -0.55 8.50 8.19 1wdlC1 CYS 377 HA -0.03 0.19 0.74 -0.75 4.58 4.72 1wdlC1 CYS 377 HB2 -0.01 0.12 0.02 -0.04 2.97 3.06 1wdlC1 CYS 377 HB3 -0.03 0.15 0.12 -0.04 2.97 3.18 1wdlC1 ILE 378 H -0.02 0.73 0.32 -0.55 8.25 8.73 1wdlC1 ILE 378 HA -0.04 0.03 0.98 -0.75 4.18 4.39 1wdlC1 ILE 378 HB -0.02 0.01 -0.11 -0.04 1.89 1.73 1wdlC1 ILE 378 HG12 -0.03 -0.16 -0.25 -0.04 1.49 1.01 1wdlC1 ILE 378 HG13 -0.03 0.07 -0.56 -0.04 1.21 0.65 1wdlC1 ILE 378 HG23 -0.04 -0.01 -0.00 -0.04 0.93 0.83 1wdlC1 ILE 378 HD13 -0.03 0.05 -0.20 -0.04 0.88 0.66 1wdlC1 GLY 379 H -0.08 -0.04 0.15 -0.55 8.43 7.92 1wdlC1 GLY 379 HA2 -0.02 0.02 0.40 -0.51 4.01 3.90 1wdlC1 GLY 379 HA3 -0.06 0.04 0.34 -0.51 4.01 3.82 1wdlC1 LEU 380 H -0.01 0.17 0.19 -0.55 8.37 8.17 1wdlC1 LEU 380 HA -0.00 0.03 0.34 -0.75 4.35 3.97 1wdlC1 LEU 380 HB2 -0.01 0.07 -0.40 -0.04 1.64 1.26 1wdlC1 LEU 380 HB3 -0.00 0.08 0.20 -0.04 1.64 1.87 1wdlC1 LEU 380 HG -0.00 0.02 -0.04 -0.04 1.64 1.57 1wdlC1 LEU 380 HD13 0.01 0.01 -0.02 -0.04 0.93 0.89 1wdlC1 LEU 380 HD23 -0.01 -0.01 -0.02 -0.04 0.89 0.81 1wdlC1 GLY 381 H 0.00 0.00 -0.22 -0.55 8.43 7.66 1wdlC1 GLY 381 HA2 0.02 -0.08 0.12 -0.51 4.01 3.55 1wdlC1 GLY 381 HA3 0.01 0.25 0.26 -0.51 4.01 4.02 1wdlC1 GLN 382 H -0.00 0.34 0.21 -0.55 8.47 8.48 1wdlC1 GLN 382 HA 0.00 0.23 0.92 -0.75 4.36 4.75 1wdlC1 GLN 382 HB2 -0.02 -0.10 -0.13 -0.04 2.15 1.86 1wdlC1 GLN 382 HB3 -0.01 0.00 0.07 -0.04 2.02 2.04 1wdlC1 GLN 382 HG2 -0.00 0.09 0.12 -0.04 2.40 2.57 1wdlC1 GLN 382 HG3 -0.01 0.07 -0.39 -0.04 2.39 2.02 1wdlC1 GLN 382 HE21 -0.01 -0.04 -0.07 -0.04 6.97 6.80 1wdlC1 GLN 382 HE22 -0.01 0.05 -0.13 -0.04 7.69 7.56 1wdlC1 GLY 383 H -0.01 0.66 0.43 -0.55 8.43 8.96 1wdlC1 GLY 383 HA2 -0.02 0.14 0.73 -0.51 4.01 4.35 1wdlC1 GLY 383 HA3 -0.02 0.15 0.15 -0.51 4.01 3.78 1wdlC1 ILE 384 H -0.02 0.36 0.22 -0.55 8.25 8.26 1wdlC1 ILE 384 HA 0.02 0.28 0.89 -0.75 4.18 4.61 1wdlC1 ILE 384 HB -0.03 0.03 -0.08 -0.04 1.89 1.77 1wdlC1 ILE 384 HG12 -0.01 0.03 -0.26 -0.04 1.49 1.21 1wdlC1 ILE 384 HG13 0.05 0.21 0.11 -0.04 1.21 1.54 1wdlC1 ILE 384 HG23 -0.04 -0.03 -0.06 -0.04 0.93 0.76 1wdlC1 ILE 384 HD13 -0.35 -0.03 -0.18 -0.04 0.88 0.27 1wdlC1 ALA 385 H 0.07 0.82 0.37 -0.55 8.40 9.11 1wdlC1 ALA 385 HA 0.04 0.25 1.01 -0.75 4.34 4.89 1wdlC1 ALA 385 HB3 0.01 0.03 -0.26 -0.04 1.41 1.14 1wdlC1 THR 386 H 0.07 0.49 0.30 -0.55 8.28 8.59 1wdlC1 THR 386 HA -0.09 0.27 0.95 -0.75 4.39 4.78 1wdlC1 THR 386 HB 0.14 -0.06 0.08 -0.04 4.32 4.43 1wdlC1 THR 386 HG23 -0.54 0.01 -0.07 -0.04 1.22 0.58 1wdlC1 VAL 387 H -0.17 0.52 0.26 -0.55 8.24 8.30 1wdlC1 VAL 387 HA 0.09 0.33 1.22 -0.75 4.13 5.02 1wdlC1 VAL 387 HB -0.02 -0.09 0.20 -0.04 2.12 2.17 1wdlC1 VAL 387 HG13 0.14 0.07 -0.07 -0.04 0.97 1.07 1wdlC1 VAL 387 HG23 0.01 -0.02 -0.24 -0.04 0.95 0.67 1wdlC1 PHE 388 H 0.38 0.24 0.14 -0.55 8.34 8.54 1wdlC1 PHE 388 HA -0.01 0.17 0.75 -0.75 4.62 4.78 1wdlC1 PHE 388 HB2 -0.01 -0.03 -0.05 -0.04 3.15 3.03 1wdlC1 PHE 388 HB3 -0.03 -0.04 0.04 -0.04 3.06 2.98 1wdlC1 PHE 388 HD2 -0.01 0.02 -0.21 -0.04 7.28 7.04 1wdlC1 PHE 388 HE2 -0.01 -0.02 -0.14 -0.04 7.38 7.17 1wdlC1 PHE 388 HZ -0.02 -0.05 -0.14 -0.04 7.32 7.07 1wdlC1 GLU 389 H 0.12 0.04 0.31 -0.55 8.60 8.53 1wdlC1 GLU 389 HA -0.18 0.30 0.88 -0.75 4.29 4.54 1wdlC1 GLU 389 HB2 -0.12 0.01 -0.22 -0.04 2.09 1.72 1wdlC1 GLU 389 HB3 -0.11 -0.04 0.01 -0.04 1.99 1.80 1wdlC1 GLU 389 HG2 -0.40 0.11 -0.13 -0.04 2.34 1.88 1wdlC1 GLU 389 HG3 -1.15 -0.01 0.02 -0.04 2.34 1.16 1wdlC1 ARG 390 H -0.16 0.69 0.30 -0.55 8.46 8.74 1wdlC1 ARG 390 HA -0.03 0.08 0.74 -0.75 4.34 4.38 1wdlC1 ARG 390 HB2 -0.05 0.09 0.25 -0.04 1.90 2.16 1wdlC1 ARG 390 HB3 -0.03 0.01 -0.02 -0.04 1.80 1.73 1wdlC1 ARG 390 HG2 -0.02 -0.13 -0.09 -0.04 1.67 1.39 1wdlC1 ARG 390 HG3 -0.02 -0.04 -0.14 -0.04 1.67 1.43 1wdlC1 ARG 390 HD2 -0.02 0.05 -0.00 -0.04 3.22 3.21 1wdlC1 ARG 390 HD3 -0.03 0.03 0.05 -0.04 3.22 3.23 1wdlC1 VAL 391 H -0.03 0.27 -0.05 -0.55 8.24 7.89 1wdlC1 VAL 391 HA -0.04 0.24 0.64 -0.75 4.13 4.21 1wdlC1 VAL 391 HB -0.06 0.04 -0.29 -0.04 2.12 1.78 1wdlC1 VAL 391 HG13 -0.02 0.01 -0.08 -0.04 0.97 0.84 1wdlC1 VAL 391 HG23 -0.02 0.01 -0.01 -0.04 0.95 0.89