============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TYR 6 0.840 4.401 -6.137 35.244 -99.200 -91.000 HIS 7 0.900 -0.398 -0.452 33.544 -99.200 -91.000 PHE 8 1.000 8.424 -2.258 32.208 -99.200 -91.000 TRP 32 1.040 26.575 1.789 10.876 -99.200 -91.000 TRP6 32 1.020 28.721 2.481 11.591 -99.200 -91.000 TYR 55 0.840 22.015 13.754 17.359 -99.200 -91.000 HIS 63 0.900 29.751 14.497 10.332 -99.200 -91.000 TYR 65 0.840 24.795 14.991 6.281 -99.200 -91.000 HIS 66 0.900 22.525 22.234 7.719 -99.200 -91.000 TYR 77 0.840 23.806 -2.935 10.241 -99.200 -91.000 PHE 79 1.000 21.961 -2.802 -2.035 -99.200 -91.000 TYR 104 0.840 20.794 10.078 2.501 -99.200 -91.000 TYR 131 0.840 3.194 10.583 8.542 -99.200 -91.000 PHE 133 1.000 12.271 4.164 3.977 -99.200 -91.000 TYR 136 0.840 11.711 -8.166 4.393 -99.200 -91.000 HIS 137 0.900 19.371 -8.792 4.045 -99.200 -91.000 TYR 144 0.840 20.079 -5.748 1.493 -99.200 -91.000 TYR 145 0.840 12.084 -7.111 -1.301 -99.200 -91.000 PHE 155 1.000 3.185 -1.685 1.794 -99.200 -91.000 TYR 158 0.840 9.028 2.092 -4.868 -99.200 -91.000 TYR 167 0.840 24.484 6.589 -9.816 -99.200 -91.000 PHE 176 1.000 -0.675 -3.552 1.456 -99.200 -91.000 TYR 191 0.840 10.244 -15.771 13.437 -99.200 -91.000 TYR 195 0.840 5.207 -7.606 13.336 -99.200 -91.000 TRP 204 1.040 -3.904 -3.125 10.524 -99.200 -91.000 TRP6 204 1.020 -5.801 -4.352 9.839 -99.200 -91.000 PHE 206 1.000 -0.616 -5.684 6.100 -99.200 -91.000 HIS 226 0.900 -3.076 -4.907 25.987 -99.200 -91.000 TYR 237 0.840 15.876 -7.355 22.581 -99.200 -91.000 TYR 238 0.840 15.325 -8.591 14.620 -99.200 -91.000 TYR 245 0.840 10.760 -9.123 24.743 -99.200 -91.000 TYR 256 0.840 7.848 4.691 24.959 -99.200 -91.000 TYR 259 0.840 1.519 -5.524 21.449 -99.200 -91.000 TYR 267 0.840 0.097 -5.954 27.547 -99.200 -91.000 PHE 271 1.000 9.051 0.792 28.010 -99.200 -91.000 PHE 293 1.000 26.177 -7.616 18.937 -99.200 -91.000 TYR 299 0.840 24.491 3.255 26.066 -99.200 -91.000 PHE 301 1.000 23.108 -7.370 29.502 -99.200 -91.000 PHE 304 1.000 12.324 2.120 23.595 -99.200 -91.000 HIS 314 0.900 21.322 21.704 32.709 -99.200 -91.000 PHE 322 1.000 15.531 11.534 18.129 -99.200 -91.000 TRP 327 1.040 16.615 -5.134 26.143 -99.200 -91.000 TRP6 327 1.020 14.520 -4.331 25.394 -99.200 -91.000 PHE 336 1.000 15.089 -11.158 27.206 -99.200 -91.000 HIS 337 0.900 16.511 -11.629 34.568 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1pooA1 LYS 29 HA -0.04 -0.05 0.14 -0.75 4.32 3.62 1pooA1 LYS 29 HB2 -0.06 -0.01 -0.01 -0.04 1.87 1.75 1pooA1 LYS 29 HB3 -0.05 -0.03 0.01 -0.04 1.79 1.68 1pooA1 LYS 29 HG2 -0.02 -0.02 0.03 -0.04 1.46 1.41 1pooA1 LYS 29 HG3 -0.03 -0.01 0.03 -0.04 1.46 1.42 1pooA1 LYS 29 HD2 -0.02 -0.02 0.01 -0.04 1.69 1.61 1pooA1 LYS 29 HD3 -0.03 0.01 -0.00 -0.04 1.68 1.62 1pooA1 LYS 29 HE2 -0.02 -0.01 -0.00 -0.04 2.99 2.91 1pooA1 LYS 29 HE3 -0.03 0.02 -0.00 -0.04 2.99 2.94 1pooA1 LEU 30 H -0.12 0.16 0.09 -0.55 8.37 7.96 1pooA1 LEU 30 HA -0.23 -0.02 0.52 -0.75 4.35 3.86 1pooA1 LEU 30 HB2 -0.21 0.01 0.14 -0.04 1.64 1.54 1pooA1 LEU 30 HB3 -0.39 0.11 0.06 -0.04 1.64 1.38 1pooA1 LEU 30 HG -0.28 -0.05 0.02 -0.04 1.64 1.29 1pooA1 LEU 30 HD13 -0.31 0.02 0.03 -0.04 0.93 0.63 1pooA1 LEU 30 HD23 -1.00 -0.01 0.03 -0.04 0.89 -0.13 1pooA1 SER 31 H -0.08 0.03 0.16 -0.55 8.46 8.02 1pooA1 SER 31 HA 0.02 0.11 0.48 -0.75 4.49 4.34 1pooA1 SER 31 HB2 0.05 -0.00 0.03 -0.04 3.95 3.99 1pooA1 SER 31 HB3 0.04 -0.02 0.09 -0.04 3.93 4.00 1pooA1 ASP 32 H 0.06 0.16 0.08 -0.55 8.40 8.15 1pooA1 ASP 32 HA 0.21 0.10 0.82 -0.75 4.63 5.00 1pooA1 ASP 32 HB2 0.12 0.09 -0.07 -0.04 2.71 2.81 1pooA1 ASP 32 HB3 0.07 -0.04 0.16 -0.04 2.70 2.84 1pooA1 PRO 33 HA 0.19 0.13 0.32 -0.51 4.44 4.57 1pooA1 PRO 33 HB2 -0.15 0.01 -0.06 -0.04 2.28 2.03 1pooA1 PRO 33 HB3 0.03 0.05 0.03 -0.04 2.02 2.10 1pooA1 PRO 33 HG2 -0.08 -0.01 -0.04 -0.04 2.03 1.86 1pooA1 PRO 33 HG3 0.12 0.07 0.04 -0.04 2.03 2.22 1pooA1 PRO 33 HD2 0.03 0.09 0.44 -0.04 3.68 4.19 1pooA1 PRO 33 HD3 0.03 0.06 0.02 -0.04 3.65 3.72 1pooA1 TYR 34 H 0.16 0.19 0.08 -0.55 8.29 8.16 1pooA1 TYR 34 HA -0.17 0.09 0.78 -0.75 4.56 4.50 1pooA1 TYR 34 HB2 -0.04 0.14 -0.03 -0.04 3.06 3.09 1pooA1 TYR 34 HB3 -0.07 0.05 0.27 -0.04 2.98 3.19 1pooA1 TYR 34 HD2 0.01 -0.07 0.04 -0.04 7.15 7.09 1pooA1 TYR 34 HE2 -0.08 0.03 0.01 -0.04 6.85 6.77 1pooA1 HIS 35 H -0.46 0.16 0.15 -0.55 8.41 7.71 1pooA1 HIS 35 HA -0.12 0.37 1.22 -0.75 4.63 5.35 1pooA1 HIS 35 HB2 -0.10 -0.02 -0.05 -0.04 3.26 3.06 1pooA1 HIS 35 HB3 -0.09 0.03 0.09 -0.04 3.20 3.18 1pooA1 HIS 35 HD2 -0.04 -0.00 -0.02 -0.04 6.97 6.86 1pooA1 HIS 35 HE1 0.03 0.08 -0.07 -0.04 7.75 7.75 1pooA1 PHE 36 H -0.18 0.45 0.47 -0.55 8.34 8.54 1pooA1 PHE 36 HA -0.10 0.09 0.58 -0.75 4.62 4.43 1pooA1 PHE 36 HB2 -0.11 -0.03 0.22 -0.04 3.15 3.19 1pooA1 PHE 36 HB3 -0.25 0.13 -0.09 -0.04 3.06 2.82 1pooA1 PHE 36 HD2 -0.11 0.05 -0.24 -0.04 7.28 6.94 1pooA1 PHE 36 HE2 -0.40 -0.05 -0.19 -0.04 7.38 6.70 1pooA1 PHE 36 HZ -0.56 -0.05 -0.18 -0.04 7.32 6.49 1pooA1 THR 37 H 0.21 0.32 0.28 -0.55 8.28 8.54 1pooA1 THR 37 HA 0.07 0.14 0.93 -0.75 4.39 4.78 1pooA1 THR 37 HB 0.06 0.01 0.09 -0.04 4.32 4.44 1pooA1 THR 37 HG23 0.02 -0.02 -0.11 -0.04 1.22 1.06 1pooA1 VAL 38 H 0.11 0.54 0.43 -0.55 8.24 8.77 1pooA1 VAL 38 HA 0.03 0.19 0.84 -0.75 4.13 4.44 1pooA1 VAL 38 HB -0.04 0.00 0.00 -0.04 2.12 2.04 1pooA1 VAL 38 HG13 -0.08 0.01 -0.34 -0.04 0.97 0.51 1pooA1 VAL 38 HG23 0.02 -0.00 -0.27 -0.04 0.95 0.65 1pooA1 ASN 39 H 0.02 0.22 0.17 -0.55 8.53 8.39 1pooA1 ASN 39 HA 0.06 0.28 0.87 -0.75 4.76 5.21 1pooA1 ASN 39 HB2 0.03 -0.05 0.09 -0.04 2.88 2.91 1pooA1 ASN 39 HB3 0.04 0.04 0.07 -0.04 2.79 2.90 1pooA1 ASN 39 HD21 0.02 0.04 -0.05 -0.04 7.03 7.00 1pooA1 ASN 39 HD22 0.02 -0.04 0.02 -0.04 7.74 7.69 1pooA1 ALA 40 H 0.07 0.21 0.04 -0.55 8.40 8.17 1pooA1 ALA 40 HA 0.11 0.03 0.65 -0.75 4.34 4.37 1pooA1 ALA 40 HB3 0.10 0.04 -0.06 -0.04 1.41 1.45 1pooA1 ALA 41 H 0.14 0.48 0.43 -0.55 8.40 8.91 1pooA1 ALA 41 HA 0.07 0.12 0.83 -0.75 4.34 4.60 1pooA1 ALA 41 HB3 0.15 -0.01 0.12 -0.04 1.41 1.63 1pooA1 ALA 42 H 0.13 0.28 0.27 -0.55 8.40 8.54 1pooA1 ALA 42 HA 0.08 0.24 0.73 -0.75 4.34 4.63 1pooA1 ALA 42 HB3 0.14 0.02 -0.05 -0.04 1.41 1.49 1pooA1 GLU 43 H 0.06 0.36 0.18 -0.55 8.60 8.66 1pooA1 GLU 43 HA 0.05 0.15 0.86 -0.75 4.29 4.59 1pooA1 GLU 43 HB2 0.02 0.04 0.06 -0.04 2.09 2.17 1pooA1 GLU 43 HB3 0.04 -0.02 -0.17 -0.04 1.99 1.79 1pooA1 GLU 43 HG2 0.02 -0.04 -0.01 -0.04 2.34 2.28 1pooA1 GLU 43 HG3 0.02 0.12 -0.20 -0.04 2.34 2.25 1pooA1 THR 44 H 0.02 0.47 0.26 -0.55 8.28 8.48 1pooA1 THR 44 HA -0.06 0.08 0.54 -0.75 4.39 4.19 1pooA1 THR 44 HB -0.02 -0.14 0.20 -0.04 4.32 4.32 1pooA1 THR 44 HG23 -0.11 0.02 -0.16 -0.04 1.22 0.92 1pooA1 GLU 45 H 0.15 0.38 0.26 -0.55 8.60 8.84 1pooA1 GLU 45 HA 0.08 0.08 0.54 -0.75 4.29 4.24 1pooA1 GLU 45 HB2 0.26 -0.10 0.18 -0.04 2.09 2.39 1pooA1 GLU 45 HB3 0.12 0.07 0.05 -0.04 1.99 2.19 1pooA1 GLU 45 HG2 0.09 0.02 0.05 -0.04 2.34 2.47 1pooA1 GLU 45 HG3 0.14 0.15 0.08 -0.04 2.34 2.67 1pooA1 PRO 46 HA 0.06 0.18 0.34 -0.51 4.44 4.51 1pooA1 PRO 46 HB2 0.05 -0.04 0.01 -0.04 2.28 2.26 1pooA1 PRO 46 HB3 0.03 0.09 0.03 -0.04 2.02 2.13 1pooA1 PRO 46 HG2 0.03 -0.06 0.04 -0.04 2.03 2.00 1pooA1 PRO 46 HG3 0.02 0.10 -0.01 -0.04 2.03 2.10 1pooA1 PRO 46 HD2 0.06 0.03 0.17 -0.04 3.68 3.90 1pooA1 PRO 46 HD3 0.05 0.18 0.24 -0.04 3.65 4.08 1pooA1 VAL 47 H 0.07 0.51 0.16 -0.55 8.24 8.43 1pooA1 VAL 47 HA 0.14 0.04 0.47 -0.75 4.13 4.02 1pooA1 VAL 47 HB 0.06 0.04 0.12 -0.04 2.12 2.30 1pooA1 VAL 47 HG13 0.09 -0.16 0.01 -0.04 0.97 0.87 1pooA1 VAL 47 HG23 0.16 0.03 -0.01 -0.04 0.95 1.08 1pooA1 ASP 48 H 0.07 0.09 0.12 -0.55 8.40 8.14 1pooA1 ASP 48 HA 0.04 0.17 0.56 -0.75 4.63 4.65 1pooA1 ASP 48 HB2 0.03 -0.01 0.03 -0.04 2.71 2.72 1pooA1 ASP 48 HB3 0.04 0.04 0.06 -0.04 2.70 2.80 1pooA1 THR 49 H 0.05 0.01 -0.17 -0.55 8.28 7.63 1pooA1 THR 49 HA 0.03 0.13 0.76 -0.75 4.39 4.55 1pooA1 THR 49 HB 0.03 0.07 0.01 -0.04 4.32 4.39 1pooA1 THR 49 HG23 0.05 -0.01 -0.06 -0.04 1.22 1.15 1pooA1 ALA 50 H 0.02 0.09 0.09 -0.55 8.40 8.06 1pooA1 ALA 50 HA 0.02 0.11 0.54 -0.75 4.34 4.25 1pooA1 ALA 50 HB3 0.01 -0.01 0.08 -0.04 1.41 1.46 1pooA1 GLY 51 H 0.01 0.09 0.15 -0.55 8.43 8.13 1pooA1 GLY 51 HA2 0.01 0.04 0.33 -0.51 4.01 3.88 1pooA1 GLY 51 HA3 0.01 0.07 0.42 -0.51 4.01 4.00 1pooA1 ASP 52 H 0.02 0.11 0.13 -0.55 8.40 8.10 1pooA1 ASP 52 HA 0.01 0.06 0.53 -0.75 4.63 4.48 1pooA1 ASP 52 HB2 0.03 -0.02 0.22 -0.04 2.71 2.90 1pooA1 ASP 52 HB3 0.03 0.04 0.09 -0.04 2.70 2.83 1pooA1 ALA 53 H 0.01 0.19 0.28 -0.55 8.40 8.32 1pooA1 ALA 53 HA 0.04 0.10 0.95 -0.75 4.34 4.68 1pooA1 ALA 53 HB3 0.04 -0.02 -0.03 -0.04 1.41 1.36 1pooA1 ALA 54 H -0.01 0.08 0.19 -0.55 8.40 8.10 1pooA1 ALA 54 HA 0.12 0.12 0.48 -0.75 4.34 4.31 1pooA1 ALA 54 HB3 -0.33 0.01 -0.03 -0.04 1.41 1.02 1pooA1 ASP 55 H 0.32 0.30 0.21 -0.55 8.40 8.68 1pooA1 ASP 55 HA 0.04 0.10 0.96 -0.75 4.63 4.98 1pooA1 ASP 55 HB2 0.08 0.04 -0.18 -0.04 2.71 2.61 1pooA1 ASP 55 HB3 0.12 0.01 0.17 -0.04 2.70 2.95 1pooA1 ASP 56 H 0.19 0.24 0.29 -0.55 8.40 8.58 1pooA1 ASP 56 HA 0.20 0.14 1.03 -0.75 4.63 5.25 1pooA1 ASP 56 HB2 0.09 -0.01 0.08 -0.04 2.71 2.83 1pooA1 ASP 56 HB3 0.09 -0.03 0.28 -0.04 2.70 3.00 1pooA1 PRO 57 HA -0.20 0.26 0.91 -0.51 4.44 4.90 1pooA1 PRO 57 HB2 -0.20 0.01 -0.13 -0.04 2.28 1.92 1pooA1 PRO 57 HB3 -0.60 -0.02 -0.16 -0.04 2.02 1.20 1pooA1 PRO 57 HG2 -0.02 0.03 -0.32 -0.04 2.03 1.68 1pooA1 PRO 57 HG3 0.02 0.03 -0.32 -0.04 2.03 1.72 1pooA1 PRO 57 HD2 0.10 0.05 0.04 -0.04 3.68 3.84 1pooA1 PRO 57 HD3 0.32 0.19 -0.05 -0.04 3.65 4.06 1pooA1 ALA 58 H -0.06 0.42 0.27 -0.55 8.40 8.48 1pooA1 ALA 58 HA 0.05 0.07 0.66 -0.75 4.34 4.37 1pooA1 ALA 58 HB3 0.05 0.03 -0.16 -0.04 1.41 1.29 1pooA1 ILE 59 H 0.08 0.19 0.14 -0.55 8.25 8.11 1pooA1 ILE 59 HA 0.09 0.29 1.11 -0.75 4.18 4.92 1pooA1 ILE 59 HB 0.08 -0.01 0.04 -0.04 1.89 1.96 1pooA1 ILE 59 HG12 0.00 0.06 -0.21 -0.04 1.49 1.30 1pooA1 ILE 59 HG13 0.02 -0.13 -0.35 -0.04 1.21 0.71 1pooA1 ILE 59 HG23 0.05 0.00 -0.26 -0.04 0.93 0.68 1pooA1 ILE 59 HD13 0.04 0.02 -0.32 -0.04 0.88 0.58 1pooA1 TRP 60 H 0.27 0.86 0.27 -0.55 7.97 8.82 1pooA1 TRP 60 HA 0.12 0.12 0.89 -0.75 4.62 5.00 1pooA1 TRP 60 HB2 -0.00 -0.01 -0.14 -0.04 3.23 3.04 1pooA1 TRP 60 HB3 0.04 -0.00 0.07 -0.04 3.23 3.30 1pooA1 TRP 60 HD1 -0.12 -0.02 -0.10 -0.04 7.22 6.95 1pooA1 TRP 60 HE1 0.15 -0.07 -0.07 -0.04 10.20 10.17 1pooA1 TRP 60 HE3 0.06 -0.07 -0.05 -0.04 7.59 7.48 1pooA1 TRP 60 HZ2 0.07 -0.05 -0.05 -0.04 7.44 7.37 1pooA1 TRP 60 HZ3 0.05 0.25 -0.05 -0.04 7.13 7.35 1pooA1 TRP 60 HH2 0.05 -0.08 -0.02 -0.04 7.19 7.09 1pooA1 LEU 61 H -0.07 0.17 0.05 -0.55 8.37 7.97 1pooA1 LEU 61 HA -0.30 0.10 0.64 -0.75 4.35 4.04 1pooA1 LEU 61 HB2 -0.13 0.02 -0.02 -0.04 1.64 1.47 1pooA1 LEU 61 HB3 -0.34 -0.06 0.09 -0.04 1.64 1.29 1pooA1 LEU 61 HG -0.31 0.03 -0.60 -0.04 1.64 0.72 1pooA1 LEU 61 HD13 0.03 -0.00 -0.05 -0.04 0.93 0.87 1pooA1 LEU 61 HD23 -0.41 -0.02 -0.07 -0.04 0.89 0.35 1pooA1 ASP 62 H -0.48 0.17 0.10 -0.55 8.40 7.64 1pooA1 ASP 62 HA -1.10 0.12 0.42 -0.75 4.63 3.31 1pooA1 ASP 62 HB2 -0.26 0.16 -0.32 -0.04 2.71 2.24 1pooA1 ASP 62 HB3 -0.15 0.02 -0.34 -0.04 2.70 2.19 1pooA1 PRO 63 HA -0.12 0.14 0.45 -0.51 4.44 4.40 1pooA1 PRO 63 HB2 -0.02 0.05 -0.00 -0.04 2.28 2.27 1pooA1 PRO 63 HB3 -0.08 0.03 0.06 -0.04 2.02 2.00 1pooA1 PRO 63 HG2 0.06 -0.01 0.06 -0.04 2.03 2.09 1pooA1 PRO 63 HG3 0.11 0.05 0.07 -0.04 2.03 2.21 1pooA1 PRO 63 HD2 0.00 0.04 0.20 -0.04 3.68 3.89 1pooA1 PRO 63 HD3 -0.15 0.29 0.23 -0.04 3.65 3.97 1pooA1 LYS 64 H -0.00 0.03 -0.17 -0.55 8.42 7.73 1pooA1 LYS 64 HA 0.01 0.20 0.66 -0.75 4.32 4.44 1pooA1 LYS 64 HB2 0.04 -0.02 0.01 -0.04 1.87 1.86 1pooA1 LYS 64 HB3 0.05 -0.02 0.02 -0.04 1.79 1.80 1pooA1 LYS 64 HG2 0.03 0.02 -0.05 -0.04 1.46 1.42 1pooA1 LYS 64 HG3 0.03 0.02 0.03 -0.04 1.46 1.49 1pooA1 LYS 64 HD2 0.04 0.01 -0.03 -0.04 1.69 1.67 1pooA1 LYS 64 HD3 0.05 -0.01 -0.02 -0.04 1.68 1.66 1pooA1 LYS 64 HE2 0.06 -0.00 -0.04 -0.04 2.99 2.97 1pooA1 LYS 64 HE3 0.08 -0.04 -0.05 -0.04 2.99 2.94 1pooA1 ASN 65 H -0.01 0.00 -0.33 -0.55 8.53 7.64 1pooA1 ASN 65 HA 0.01 0.21 0.65 -0.75 4.76 4.88 1pooA1 ASN 65 HB2 0.04 -0.03 -0.15 -0.04 2.88 2.70 1pooA1 ASN 65 HB3 0.04 -0.10 0.10 -0.04 2.79 2.79 1pooA1 ASN 65 HD21 0.02 -0.02 0.00 -0.04 7.03 6.99 1pooA1 ASN 65 HD22 0.02 0.23 -0.14 -0.04 7.74 7.82 1pooA1 PRO 66 HA -0.06 0.05 0.39 -0.51 4.44 4.31 1pooA1 PRO 66 HB2 0.00 -0.12 -0.05 -0.04 2.28 2.07 1pooA1 PRO 66 HB3 0.03 0.22 0.18 -0.04 2.02 2.41 1pooA1 PRO 66 HG2 0.01 0.05 0.02 -0.04 2.03 2.07 1pooA1 PRO 66 HG3 0.03 0.17 0.01 -0.04 2.03 2.20 1pooA1 PRO 66 HD2 -0.00 0.06 0.08 -0.04 3.68 3.78 1pooA1 PRO 66 HD3 -0.00 0.22 -0.16 -0.04 3.65 3.66 1pooA1 GLN 67 H 0.02 0.10 -0.38 -0.55 8.47 7.66 1pooA1 GLN 67 HA 0.08 0.30 0.36 -0.75 4.36 4.33 1pooA1 GLN 67 HB2 0.05 0.03 0.10 -0.04 2.15 2.29 1pooA1 GLN 67 HB3 0.04 -0.09 0.10 -0.04 2.02 2.03 1pooA1 GLN 67 HG2 0.04 0.06 -0.13 -0.04 2.40 2.32 1pooA1 GLN 67 HG3 0.03 0.03 -0.03 -0.04 2.39 2.38 1pooA1 GLN 67 HE21 -0.00 0.04 0.01 -0.04 6.97 6.97 1pooA1 GLN 67 HE22 0.01 0.00 0.03 -0.04 7.69 7.69 1pooA1 ASN 68 H 0.04 0.49 -0.34 -0.55 8.53 8.17 1pooA1 ASN 68 HA 0.10 0.13 0.75 -0.75 4.76 4.98 1pooA1 ASN 68 HB2 0.08 0.11 0.12 -0.04 2.88 3.15 1pooA1 ASN 68 HB3 0.15 0.03 0.16 -0.04 2.79 3.09 1pooA1 ASN 68 HD21 0.06 -0.01 -0.03 -0.04 7.03 7.00 1pooA1 ASN 68 HD22 0.07 -0.04 -0.01 -0.04 7.74 7.72 1pooA1 SER 69 H 0.04 0.33 -0.36 -0.55 8.46 7.92 1pooA1 SER 69 HA -0.05 -0.02 0.50 -0.75 4.49 4.16 1pooA1 SER 69 HB2 0.03 0.01 0.05 -0.04 3.95 4.00 1pooA1 SER 69 HB3 -0.01 0.20 0.15 -0.04 3.93 4.22 1pooA1 LYS 70 H 0.37 0.45 0.33 -0.55 8.42 9.01 1pooA1 LYS 70 HA 0.18 0.25 1.07 -0.75 4.32 5.07 1pooA1 LYS 70 HB2 0.35 -0.12 -0.02 -0.04 1.87 2.04 1pooA1 LYS 70 HB3 0.18 0.05 0.08 -0.04 1.79 2.06 1pooA1 LYS 70 HG2 0.23 0.08 -0.29 -0.04 1.46 1.44 1pooA1 LYS 70 HG3 0.50 0.01 -0.32 -0.04 1.46 1.61 1pooA1 LYS 70 HD2 0.07 -0.09 -0.07 -0.04 1.69 1.57 1pooA1 LYS 70 HD3 0.13 -0.04 -0.09 -0.04 1.68 1.64 1pooA1 LYS 70 HE2 0.31 0.05 -0.02 -0.04 2.99 3.28 1pooA1 LYS 70 HE3 0.09 -0.05 -0.19 -0.04 2.99 2.80 1pooA1 LEU 71 H 0.15 0.70 0.29 -0.55 8.37 8.97 1pooA1 LEU 71 HA 0.06 0.20 1.00 -0.75 4.35 4.86 1pooA1 LEU 71 HB2 0.08 0.03 0.06 -0.04 1.64 1.77 1pooA1 LEU 71 HB3 -0.07 -0.02 -0.14 -0.04 1.64 1.36 1pooA1 LEU 71 HG -0.05 -0.01 -0.13 -0.04 1.64 1.41 1pooA1 LEU 71 HD13 0.00 0.02 -0.29 -0.04 0.93 0.62 1pooA1 LEU 71 HD23 -0.19 -0.01 -0.20 -0.04 0.89 0.45 1pooA1 ILE 72 H 0.03 0.78 0.30 -0.55 8.25 8.81 1pooA1 ILE 72 HA 0.04 0.28 1.06 -0.75 4.18 4.81 1pooA1 ILE 72 HB 0.02 -0.05 -0.03 -0.04 1.89 1.79 1pooA1 ILE 72 HG12 -0.07 -0.04 -0.19 -0.04 1.49 1.15 1pooA1 ILE 72 HG13 0.00 0.09 -0.16 -0.04 1.21 1.11 1pooA1 ILE 72 HG23 -0.05 -0.01 -0.24 -0.04 0.93 0.59 1pooA1 ILE 72 HD13 0.08 -0.02 -0.35 -0.04 0.88 0.55 1pooA1 THR 73 H 0.04 0.64 0.31 -0.55 8.28 8.72 1pooA1 THR 73 HA -0.07 0.34 1.15 -0.75 4.39 5.05 1pooA1 THR 73 HB -0.27 -0.01 -0.03 -0.04 4.32 3.97 1pooA1 THR 73 HG23 -0.53 -0.01 -0.36 -0.04 1.22 0.28 1pooA1 THR 74 H 0.12 0.39 0.28 -0.55 8.28 8.52 1pooA1 THR 74 HA 0.06 0.20 0.91 -0.75 4.39 4.81 1pooA1 THR 74 HB 0.06 0.38 -0.25 -0.04 4.32 4.47 1pooA1 THR 74 HG23 0.02 -0.05 -0.59 -0.04 1.22 0.56 1pooA1 ASN 75 H 0.08 0.50 -0.03 -0.55 8.53 8.53 1pooA1 ASN 75 HA 0.11 0.24 0.60 -0.75 4.76 4.96 1pooA1 ASN 75 HB2 0.12 -0.03 -0.12 -0.04 2.88 2.82 1pooA1 ASN 75 HB3 0.08 0.16 0.08 -0.04 2.79 3.07 1pooA1 ASN 75 HD21 0.07 -0.01 -0.02 -0.04 7.03 7.02 1pooA1 ASN 75 HD22 0.09 0.04 -0.04 -0.04 7.74 7.79 1pooA1 LYS 76 H 0.08 0.40 0.06 -0.55 8.42 8.40 1pooA1 LYS 76 HA 0.06 0.20 0.29 -0.75 4.32 4.12 1pooA1 LYS 76 HB2 0.08 -0.04 0.02 -0.04 1.87 1.89 1pooA1 LYS 76 HB3 0.08 -0.03 0.07 -0.04 1.79 1.87 1pooA1 LYS 76 HG2 0.06 0.21 0.04 -0.04 1.46 1.72 1pooA1 LYS 76 HG3 0.06 0.03 -0.07 -0.04 1.46 1.43 1pooA1 LYS 76 HD2 0.05 0.04 -0.11 -0.04 1.69 1.63 1pooA1 LYS 76 HD3 0.08 -0.07 -0.04 -0.04 1.68 1.60 1pooA1 LYS 76 HE2 0.08 -0.05 -0.04 -0.04 2.99 2.93 1pooA1 LYS 76 HE3 0.05 0.17 -0.21 -0.04 2.99 2.95 1pooA1 LYS 77 H 0.06 -0.04 -0.54 -0.55 8.42 7.35 1pooA1 LYS 77 HA 0.04 0.07 0.51 -0.75 4.32 4.19 1pooA1 LYS 77 HB2 0.05 -0.07 0.00 -0.04 1.87 1.81 1pooA1 LYS 77 HB3 0.04 -0.03 0.01 -0.04 1.79 1.77 1pooA1 LYS 77 HG2 0.04 0.03 0.06 -0.04 1.46 1.55 1pooA1 LYS 77 HG3 0.04 -0.00 -0.04 -0.04 1.46 1.42 1pooA1 LYS 77 HD2 0.03 0.01 -0.02 -0.04 1.69 1.67 1pooA1 LYS 77 HD3 0.03 -0.06 0.00 -0.04 1.68 1.61 1pooA1 LYS 77 HE2 0.04 0.01 -0.22 -0.04 2.99 2.78 1pooA1 LYS 77 HE3 0.04 0.08 -0.02 -0.04 2.99 3.04 1pooA1 SER 78 H 0.06 0.15 -0.03 -0.55 8.46 8.09 1pooA1 SER 78 HA 0.05 0.36 0.79 -0.75 4.49 4.93 1pooA1 SER 78 HB2 0.10 -0.08 0.16 -0.04 3.95 4.08 1pooA1 SER 78 HB3 0.07 -0.05 -0.13 -0.04 3.93 3.78 1pooA1 GLY 79 H 0.06 0.05 -0.08 -0.55 8.43 7.92 1pooA1 GLY 79 HA2 0.02 -0.05 0.27 -0.51 4.01 3.74 1pooA1 GLY 79 HA3 0.03 -0.06 0.18 -0.51 4.01 3.65 1pooA1 LEU 80 H -0.07 0.01 0.12 -0.55 8.37 7.87 1pooA1 LEU 80 HA -0.00 0.28 0.53 -0.75 4.35 4.40 1pooA1 LEU 80 HB2 -0.31 -0.10 0.07 -0.04 1.64 1.26 1pooA1 LEU 80 HB3 -0.11 0.01 -0.13 -0.04 1.64 1.37 1pooA1 LEU 80 HG -0.10 0.06 -0.13 -0.04 1.64 1.43 1pooA1 LEU 80 HD13 -0.05 0.02 -0.19 -0.04 0.93 0.67 1pooA1 LEU 80 HD23 -0.41 -0.03 -0.20 -0.04 0.89 0.21 1pooA1 ALA 81 H 0.03 0.51 0.33 -0.55 8.40 8.73 1pooA1 ALA 81 HA -0.07 0.18 0.97 -0.75 4.34 4.67 1pooA1 ALA 81 HB3 -0.03 0.00 0.02 -0.04 1.41 1.35 1pooA1 VAL 82 H -0.17 0.81 0.41 -0.55 8.24 8.74 1pooA1 VAL 82 HA 0.02 0.30 1.12 -0.75 4.13 4.82 1pooA1 VAL 82 HB 0.06 -0.14 0.20 -0.04 2.12 2.20 1pooA1 VAL 82 HG13 0.05 0.05 -0.03 -0.04 0.97 1.01 1pooA1 VAL 82 HG23 0.03 0.02 -0.18 -0.04 0.95 0.78 1pooA1 TYR 83 H 0.17 0.63 0.40 -0.55 8.29 8.95 1pooA1 TYR 83 HA 0.03 0.16 1.15 -0.75 4.56 5.15 1pooA1 TYR 83 HB2 -0.00 -0.06 -0.01 -0.04 3.06 2.95 1pooA1 TYR 83 HB3 0.03 0.05 -0.17 -0.04 2.98 2.85 1pooA1 TYR 83 HD2 -0.01 0.07 -0.44 -0.04 7.15 6.73 1pooA1 TYR 83 HE2 0.04 0.02 -0.12 -0.04 6.85 6.75 1pooA1 SER 84 H 0.17 0.51 0.27 -0.55 8.46 8.86 1pooA1 SER 84 HA 0.14 0.29 0.59 -0.75 4.49 4.75 1pooA1 SER 84 HB2 0.11 0.00 0.23 -0.04 3.95 4.24 1pooA1 SER 84 HB3 0.10 0.12 0.14 -0.04 3.93 4.24 1pooA1 LEU 85 H 0.12 0.32 0.19 -0.55 8.37 8.46 1pooA1 LEU 85 HA 0.06 0.10 0.42 -0.75 4.35 4.19 1pooA1 LEU 85 HB2 0.18 0.04 0.10 -0.04 1.64 1.92 1pooA1 LEU 85 HB3 0.23 -0.03 0.04 -0.04 1.64 1.83 1pooA1 LEU 85 HG 0.10 0.26 -0.05 -0.04 1.64 1.91 1pooA1 LEU 85 HD13 0.14 0.00 0.08 -0.04 0.93 1.11 1pooA1 LEU 85 HD23 -0.04 -0.03 -0.18 -0.04 0.89 0.60 1pooA1 GLU 86 H 0.12 0.01 -0.24 -0.55 8.60 7.95 1pooA1 GLU 86 HA 0.14 0.19 0.62 -0.75 4.29 4.49 1pooA1 GLU 86 HB2 0.08 0.06 0.10 -0.04 2.09 2.30 1pooA1 GLU 86 HB3 0.09 0.02 0.06 -0.04 1.99 2.12 1pooA1 GLU 86 HG2 0.09 -0.06 0.05 -0.04 2.34 2.38 1pooA1 GLU 86 HG3 0.09 -0.13 -0.16 -0.04 2.34 2.10 1pooA1 GLY 87 H 0.12 0.24 -0.49 -0.55 8.43 7.75 1pooA1 GLY 87 HA2 0.05 0.01 0.10 -0.51 4.01 3.67 1pooA1 GLY 87 HA3 0.07 0.39 0.66 -0.51 4.01 4.62 1pooA1 LYS 88 H 0.13 -0.05 -0.12 -0.55 8.42 7.82 1pooA1 LYS 88 HA 0.13 0.13 0.53 -0.75 4.32 4.35 1pooA1 LYS 88 HB2 0.07 0.04 0.03 -0.04 1.87 1.97 1pooA1 LYS 88 HB3 0.08 -0.11 0.10 -0.04 1.79 1.81 1pooA1 LYS 88 HG2 0.02 -0.01 -0.10 -0.04 1.46 1.34 1pooA1 LYS 88 HG3 0.02 0.18 -0.28 -0.04 1.46 1.35 1pooA1 LYS 88 HD2 0.05 -0.01 0.04 -0.04 1.69 1.73 1pooA1 LYS 88 HD3 0.04 -0.03 -0.01 -0.04 1.68 1.64 1pooA1 LYS 88 HE2 0.01 -0.03 0.01 -0.04 2.99 2.95 1pooA1 LYS 88 HE3 -0.00 -0.00 -0.01 -0.04 2.99 2.93 1pooA1 MET 89 H 0.10 0.16 0.21 -0.55 8.47 8.39 1pooA1 MET 89 HA -0.36 0.12 0.78 -0.75 4.52 4.32 1pooA1 MET 89 HB2 -0.05 0.03 0.10 -0.04 2.15 2.20 1pooA1 MET 89 HB3 -0.10 -0.02 0.10 -0.04 2.03 1.98 1pooA1 MET 89 HG2 -0.50 0.14 0.00 -0.04 2.63 2.23 1pooA1 MET 89 HG3 -0.75 -0.03 -0.06 -0.04 2.56 1.67 1pooA1 MET 89 HE3 -0.03 0.00 -0.07 -0.04 2.10 1.96 1pooA1 LEU 90 H -0.20 0.56 0.45 -0.55 8.37 8.64 1pooA1 LEU 90 HA -0.21 0.09 0.69 -0.75 4.35 4.17 1pooA1 LEU 90 HB2 0.03 -0.02 0.07 -0.04 1.64 1.68 1pooA1 LEU 90 HB3 -0.14 0.04 0.03 -0.04 1.64 1.53 1pooA1 LEU 90 HG 0.00 -0.00 0.04 -0.04 1.64 1.64 1pooA1 LEU 90 HD13 0.10 0.01 -0.15 -0.04 0.93 0.84 1pooA1 LEU 90 HD23 -0.00 -0.01 -0.09 -0.04 0.89 0.75 1pooA1 HIS 91 H -0.16 0.31 0.30 -0.55 8.41 8.32 1pooA1 HIS 91 HA -0.24 0.19 0.87 -0.75 4.63 4.70 1pooA1 HIS 91 HB2 -0.15 -0.00 0.02 -0.04 3.26 3.09 1pooA1 HIS 91 HB3 -0.49 -0.03 -0.05 -0.04 3.20 2.59 1pooA1 HIS 91 HD2 -0.07 0.00 -0.16 -0.04 6.97 6.70 1pooA1 HIS 91 HE1 -0.05 -0.06 -0.08 -0.04 7.75 7.52 1pooA1 SER 92 H -0.37 0.29 0.17 -0.55 8.46 8.00 1pooA1 SER 92 HA -0.22 0.18 1.01 -0.75 4.49 4.71 1pooA1 SER 92 HB2 -0.15 -0.01 -0.20 -0.04 3.95 3.56 1pooA1 SER 92 HB3 -0.13 -0.02 -0.00 -0.04 3.93 3.73 1pooA1 TYR 93 H -0.10 0.80 0.21 -0.55 8.29 8.65 1pooA1 TYR 93 HA -0.40 0.12 0.99 -0.75 4.56 4.51 1pooA1 TYR 93 HB2 -0.18 0.05 0.16 -0.04 3.06 3.04 1pooA1 TYR 93 HB3 -0.16 -0.10 0.13 -0.04 2.98 2.81 1pooA1 TYR 93 HD2 -0.17 0.08 -0.08 -0.04 7.15 6.94 1pooA1 TYR 93 HE2 -0.16 0.04 -0.07 -0.04 6.85 6.62 1pooA1 HIS 94 H -0.29 0.18 0.15 -0.55 8.41 7.91 1pooA1 HIS 94 HA 0.03 0.16 0.84 -0.75 4.63 4.91 1pooA1 HIS 94 HB2 0.02 0.01 0.06 -0.04 3.26 3.31 1pooA1 HIS 94 HB3 0.01 0.04 0.16 -0.04 3.20 3.37 1pooA1 HIS 94 HD2 -0.01 -0.01 0.03 -0.04 6.97 6.93 1pooA1 HIS 94 HE1 -0.05 -0.00 -0.13 -0.04 7.75 7.52 1pooA1 THR 95 H 0.07 0.04 -0.12 -0.55 8.28 7.72 1pooA1 THR 95 HA 0.06 0.21 0.91 -0.75 4.39 4.82 1pooA1 THR 95 HB 0.04 -0.04 0.10 -0.04 4.32 4.38 1pooA1 THR 95 HG23 0.02 0.01 -0.11 -0.04 1.22 1.10 1pooA1 GLY 96 H 0.03 0.16 0.11 -0.55 8.43 8.18 1pooA1 GLY 96 HA2 0.01 -0.03 0.24 -0.51 4.01 3.73 1pooA1 GLY 96 HA3 0.02 0.14 0.68 -0.51 4.01 4.34 1pooA1 LYS 97 H 0.01 0.04 -0.17 -0.55 8.42 7.75 1pooA1 LYS 97 HA 0.03 0.37 0.37 -0.75 4.32 4.34 1pooA1 LYS 97 HB2 0.02 -0.19 -0.19 -0.04 1.87 1.47 1pooA1 LYS 97 HB3 0.02 -0.18 0.08 -0.04 1.79 1.67 1pooA1 LYS 97 HG2 0.03 -0.06 -0.00 -0.04 1.46 1.38 1pooA1 LYS 97 HG3 0.04 0.40 0.07 -0.04 1.46 1.93 1pooA1 LYS 97 HD2 0.03 0.32 0.07 -0.04 1.69 2.07 1pooA1 LYS 97 HD3 0.02 -0.23 -0.03 -0.04 1.68 1.40 1pooA1 LYS 97 HE2 0.02 -0.12 0.06 -0.04 2.99 2.91 1pooA1 LYS 97 HE3 0.03 0.05 0.16 -0.04 2.99 3.19 1pooA1 LEU 98 H 0.02 0.39 -0.22 -0.55 8.37 8.02 1pooA1 LEU 98 HA -0.01 0.37 0.93 -0.75 4.35 4.89 1pooA1 LEU 98 HB2 0.00 0.04 -0.07 -0.04 1.64 1.58 1pooA1 LEU 98 HB3 -0.03 -0.02 -0.15 -0.04 1.64 1.41 1pooA1 LEU 98 HG 0.01 -0.04 -0.15 -0.04 1.64 1.42 1pooA1 LEU 98 HD13 0.02 -0.03 -0.12 -0.04 0.93 0.76 1pooA1 LEU 98 HD23 -0.02 -0.01 -0.31 -0.04 0.89 0.51 1pooA1 ASN 99 H 0.00 0.36 0.24 -0.55 8.53 8.58 1pooA1 ASN 99 HA 0.06 0.11 0.63 -0.75 4.76 4.80 1pooA1 ASN 99 HB2 0.09 0.06 0.05 -0.04 2.88 3.04 1pooA1 ASN 99 HB3 0.05 0.03 0.19 -0.04 2.79 3.02 1pooA1 ASN 99 HD21 -0.44 -0.12 -0.17 -0.04 7.03 6.26 1pooA1 ASN 99 HD22 -0.08 0.45 -0.17 -0.04 7.74 7.90 1pooA1 ASN 100 H 0.01 0.13 0.23 -0.55 8.53 8.36 1pooA1 ASN 100 HA 0.06 0.14 0.91 -0.75 4.76 5.12 1pooA1 ASN 100 HB2 0.14 0.01 0.17 -0.04 2.88 3.16 1pooA1 ASN 100 HB3 0.17 0.14 0.12 -0.04 2.79 3.19 1pooA1 ASN 100 HD21 -0.04 -0.04 -0.01 -0.04 7.03 6.91 1pooA1 ASN 100 HD22 0.06 0.03 0.22 -0.04 7.74 8.01 1pooA1 VAL 101 H 0.10 0.28 0.12 -0.55 8.24 8.20 1pooA1 VAL 101 HA 0.04 0.30 0.85 -0.75 4.13 4.57 1pooA1 VAL 101 HB -0.00 -0.03 -0.39 -0.04 2.12 1.66 1pooA1 VAL 101 HG13 0.03 -0.01 -0.34 -0.04 0.97 0.61 1pooA1 VAL 101 HG23 0.01 -0.01 -0.34 -0.04 0.95 0.57 1pooA1 ASP 102 H 0.23 0.64 0.31 -0.55 8.40 9.03 1pooA1 ASP 102 HA 0.13 0.16 0.79 -0.75 4.63 4.96 1pooA1 ASP 102 HB2 0.22 0.10 -0.10 -0.04 2.71 2.89 1pooA1 ASP 102 HB3 0.25 -0.06 0.00 -0.04 2.70 2.84 1pooA1 ILE 103 H 0.09 0.20 0.27 -0.55 8.25 8.27 1pooA1 ILE 103 HA 0.03 0.33 1.19 -0.75 4.18 4.98 1pooA1 ILE 103 HB -0.05 0.16 0.08 -0.04 1.89 2.04 1pooA1 ILE 103 HG12 0.03 0.08 -0.07 -0.04 1.49 1.50 1pooA1 ILE 103 HG13 -0.13 -0.02 -0.42 -0.04 1.21 0.60 1pooA1 ILE 103 HG23 0.06 -0.02 -0.29 -0.04 0.93 0.63 1pooA1 ILE 103 HD13 -0.42 -0.02 -0.12 -0.04 0.88 0.29 1pooA1 ARG 104 H -0.08 0.61 0.40 -0.55 8.46 8.84 1pooA1 ARG 104 HA 0.04 0.11 0.60 -0.75 4.34 4.34 1pooA1 ARG 104 HB2 0.17 -0.03 -0.03 -0.04 1.90 1.96 1pooA1 ARG 104 HB3 0.29 0.09 0.02 -0.04 1.80 2.16 1pooA1 ARG 104 HG2 0.16 0.00 -0.27 -0.04 1.67 1.52 1pooA1 ARG 104 HG3 0.24 -0.03 -0.16 -0.04 1.67 1.68 1pooA1 ARG 104 HD2 0.18 -0.00 0.10 -0.04 3.22 3.46 1pooA1 ARG 104 HD3 0.16 0.14 0.31 -0.04 3.22 3.78 1pooA1 TYR 105 H 0.28 0.20 0.14 -0.55 8.29 8.37 1pooA1 TYR 105 HA 0.13 0.11 1.01 -0.75 4.56 5.05 1pooA1 TYR 105 HB2 0.03 0.09 -0.01 -0.04 3.06 3.13 1pooA1 TYR 105 HB3 0.07 -0.01 0.06 -0.04 2.98 3.05 1pooA1 TYR 105 HD2 0.09 0.03 -0.03 -0.04 7.15 7.20 1pooA1 TYR 105 HE2 -0.14 0.08 0.00 -0.04 6.85 6.75 1pooA1 ASP 106 H 0.23 0.06 -0.06 -0.55 8.40 8.08 1pooA1 ASP 106 HA 0.10 -0.04 0.03 -0.75 4.63 3.97 1pooA1 ASP 106 HB2 0.10 0.11 -0.21 -0.04 2.71 2.67 1pooA1 ASP 106 HB3 0.06 0.02 0.13 -0.04 2.70 2.87 1pooA1 PHE 107 H 0.08 0.44 -0.14 -0.55 8.34 8.18 1pooA1 PHE 107 HA -0.45 0.15 0.50 -0.75 4.62 4.06 1pooA1 PHE 107 HB2 -0.54 -0.02 -0.00 -0.04 3.15 2.54 1pooA1 PHE 107 HB3 -0.24 -0.03 0.05 -0.04 3.06 2.80 1pooA1 PHE 107 HD2 -0.88 -0.06 -0.31 -0.04 7.28 5.99 1pooA1 PHE 107 HE2 -0.19 0.00 -0.15 -0.04 7.38 7.01 1pooA1 PHE 107 HZ -0.12 -0.14 -0.36 -0.04 7.32 6.67 1pooA1 PRO 108 HA -0.08 0.25 0.66 -0.51 4.44 4.76 1pooA1 PRO 108 HB2 -0.14 -0.07 0.12 -0.04 2.28 2.15 1pooA1 PRO 108 HB3 -0.11 0.05 0.12 -0.04 2.02 2.04 1pooA1 PRO 108 HG2 -0.54 -0.06 0.23 -0.04 2.03 1.62 1pooA1 PRO 108 HG3 -0.22 0.06 0.16 -0.04 2.03 1.99 1pooA1 PRO 108 HD2 -0.85 0.02 0.28 -0.04 3.68 3.09 1pooA1 PRO 108 HD3 -0.18 0.32 0.34 -0.04 3.65 4.09 1pooA1 LEU 109 H 0.03 0.39 0.16 -0.55 8.37 8.40 1pooA1 LEU 109 HA 0.09 0.12 0.91 -0.75 4.35 4.73 1pooA1 LEU 109 HB2 0.19 -0.00 -0.10 -0.04 1.64 1.68 1pooA1 LEU 109 HB3 0.04 -0.05 0.07 -0.04 1.64 1.67 1pooA1 LEU 109 HG -0.01 0.04 -0.20 -0.04 1.64 1.43 1pooA1 LEU 109 HD13 0.09 -0.01 -0.19 -0.04 0.93 0.78 1pooA1 LEU 109 HD23 -0.04 0.01 -0.09 -0.04 0.89 0.73 1pooA1 ASN 110 H -0.01 0.23 -0.08 -0.55 8.53 8.12 1pooA1 ASN 110 HA -0.03 -0.02 0.34 -0.75 4.76 4.30 1pooA1 ASN 110 HB2 -0.04 0.05 -0.04 -0.04 2.88 2.82 1pooA1 ASN 110 HB3 -0.03 0.02 0.04 -0.04 2.79 2.78 1pooA1 ASN 110 HD21 -0.01 0.10 -0.01 -0.04 7.03 7.07 1pooA1 ASN 110 HD22 -0.02 -0.02 0.05 -0.04 7.74 7.70 1pooA1 GLY 111 H -0.03 0.11 -0.06 -0.55 8.43 7.91 1pooA1 GLY 111 HA2 -0.02 -0.02 0.35 -0.51 4.01 3.81 1pooA1 GLY 111 HA3 -0.02 0.18 0.76 -0.51 4.01 4.42 1pooA1 LYS 112 H -0.01 0.46 -0.55 -0.55 8.42 7.76 1pooA1 LYS 112 HA -0.00 0.20 0.87 -0.75 4.32 4.64 1pooA1 LYS 112 HB2 -0.00 0.12 -0.04 -0.04 1.87 1.90 1pooA1 LYS 112 HB3 0.00 -0.06 0.04 -0.04 1.79 1.73 1pooA1 LYS 112 HG2 -0.00 0.00 -0.08 -0.04 1.46 1.34 1pooA1 LYS 112 HG3 -0.01 -0.02 -0.32 -0.04 1.46 1.07 1pooA1 LYS 112 HD2 -0.02 0.05 -0.04 -0.04 1.69 1.65 1pooA1 LYS 112 HD3 -0.01 -0.04 -0.03 -0.04 1.68 1.56 1pooA1 LYS 112 HE2 -0.01 -0.03 -0.02 -0.04 2.99 2.89 1pooA1 LYS 112 HE3 -0.01 -0.02 -0.03 -0.04 2.99 2.89 1pooA1 LYS 113 H 0.02 0.22 0.09 -0.55 8.42 8.19 1pooA1 LYS 113 HA 0.01 0.25 0.56 -0.75 4.32 4.39 1pooA1 LYS 113 HB2 0.03 -0.04 0.10 -0.04 1.87 1.92 1pooA1 LYS 113 HB3 0.04 -0.07 -0.10 -0.04 1.79 1.63 1pooA1 LYS 113 HG2 -0.01 0.16 -0.15 -0.04 1.46 1.42 1pooA1 LYS 113 HG3 -0.01 -0.05 -0.37 -0.04 1.46 0.99 1pooA1 LYS 113 HD2 0.01 -0.04 -0.03 -0.04 1.69 1.59 1pooA1 LYS 113 HD3 0.02 0.01 -0.02 -0.04 1.68 1.65 1pooA1 LYS 113 HE2 -0.01 -0.02 -0.07 -0.04 2.99 2.85 1pooA1 LYS 113 HE3 0.00 -0.02 -0.02 -0.04 2.99 2.92 1pooA1 VAL 114 H 0.06 0.81 0.11 -0.55 8.24 8.68 1pooA1 VAL 114 HA 0.04 0.18 1.06 -0.75 4.13 4.66 1pooA1 VAL 114 HB -0.03 0.03 0.00 -0.04 2.12 2.08 1pooA1 VAL 114 HG13 -0.00 0.00 -0.15 -0.04 0.97 0.77 1pooA1 VAL 114 HG23 0.02 0.04 -0.08 -0.04 0.95 0.89 1pooA1 ASP 115 H 0.05 0.20 0.23 -0.55 8.40 8.33 1pooA1 ASP 115 HA 0.06 0.04 0.80 -0.75 4.63 4.78 1pooA1 ASP 115 HB2 0.09 0.00 0.16 -0.04 2.71 2.92 1pooA1 ASP 115 HB3 0.13 0.09 0.06 -0.04 2.70 2.93 1pooA1 ILE 116 H -0.07 0.60 0.36 -0.55 8.25 8.58 1pooA1 ILE 116 HA -0.10 0.31 1.33 -0.75 4.18 4.97 1pooA1 ILE 116 HB -0.13 -0.02 -0.14 -0.04 1.89 1.56 1pooA1 ILE 116 HG12 -0.10 0.04 -0.00 -0.04 1.49 1.39 1pooA1 ILE 116 HG13 -0.04 -0.14 0.09 -0.04 1.21 1.08 1pooA1 ILE 116 HG23 -0.25 0.03 -0.26 -0.04 0.93 0.41 1pooA1 ILE 116 HD13 -0.22 -0.00 -0.13 -0.04 0.88 0.49 1pooA1 ALA 117 H -0.04 0.55 0.19 -0.55 8.40 8.56 1pooA1 ALA 117 HA 0.01 0.26 0.87 -0.75 4.34 4.72 1pooA1 ALA 117 HB3 -0.05 -0.02 -0.10 -0.04 1.41 1.20 1pooA1 ALA 118 H 0.10 0.71 0.29 -0.55 8.40 8.96 1pooA1 ALA 118 HA -0.05 0.19 1.06 -0.75 4.34 4.79 1pooA1 ALA 118 HB3 0.14 -0.00 -0.03 -0.04 1.41 1.47 1pooA1 ALA 119 H -0.30 0.45 0.21 -0.55 8.40 8.22 1pooA1 ALA 119 HA -0.69 0.27 0.93 -0.75 4.34 4.10 1pooA1 ALA 119 HB3 -0.09 -0.03 -0.13 -0.04 1.41 1.12 1pooA1 SER 120 H -0.32 0.32 0.27 -0.55 8.46 8.18 1pooA1 SER 120 HA -0.24 0.16 0.90 -0.75 4.49 4.55 1pooA1 SER 120 HB2 0.01 0.06 -0.07 -0.04 3.95 3.90 1pooA1 SER 120 HB3 0.02 0.01 0.01 -0.04 3.93 3.93 1pooA1 ASN 121 H -0.09 0.84 0.32 -0.55 8.53 9.05 1pooA1 ASN 121 HA -0.03 0.28 0.94 -0.75 4.76 5.19 1pooA1 ASN 121 HB2 -0.08 -0.05 -0.20 -0.04 2.88 2.50 1pooA1 ASN 121 HB3 -0.07 -0.06 -0.01 -0.04 2.79 2.61 1pooA1 ASN 121 HD21 -0.03 -0.01 -0.08 -0.04 7.03 6.88 1pooA1 ASN 121 HD22 -0.06 0.01 -0.12 -0.04 7.74 7.53 1pooA1 ARG 122 H 0.00 0.48 0.20 -0.55 8.46 8.59 1pooA1 ARG 122 HA -0.00 0.43 0.88 -0.75 4.34 4.89 1pooA1 ARG 122 HB2 0.03 0.04 0.04 -0.04 1.90 1.97 1pooA1 ARG 122 HB3 0.02 -0.02 0.17 -0.04 1.80 1.93 1pooA1 ARG 122 HG2 0.02 -0.01 0.13 -0.04 1.67 1.77 1pooA1 ARG 122 HG3 0.03 0.02 0.07 -0.04 1.67 1.75 1pooA1 ARG 122 HD2 0.01 -0.05 0.10 -0.04 3.22 3.24 1pooA1 ARG 122 HD3 0.01 -0.06 0.16 -0.04 3.22 3.28 1pooA1 SER 123 H -0.01 -0.01 -0.18 -0.55 8.46 7.71 1pooA1 SER 123 HA 0.00 0.12 0.57 -0.75 4.49 4.43 1pooA1 SER 123 HB2 0.00 -0.15 -0.00 -0.04 3.95 3.76 1pooA1 SER 123 HB3 -0.01 -0.00 0.03 -0.04 3.93 3.91 1pooA1 GLU 124 H 0.00 0.18 0.20 -0.55 8.60 8.43 1pooA1 GLU 124 HA -0.00 0.04 0.37 -0.75 4.29 3.95 1pooA1 GLU 124 HB2 -0.01 0.18 0.01 -0.04 2.09 2.23 1pooA1 GLU 124 HB3 -0.01 0.02 0.25 -0.04 1.99 2.21 1pooA1 GLU 124 HG2 -0.00 0.03 0.05 -0.04 2.34 2.38 1pooA1 GLU 124 HG3 -0.00 -0.08 -0.13 -0.04 2.34 2.09 1pooA1 GLY 125 H -0.00 0.19 -0.10 -0.55 8.43 7.97 1pooA1 GLY 125 HA2 -0.00 0.02 0.34 -0.51 4.01 3.86 1pooA1 GLY 125 HA3 -0.01 0.06 0.44 -0.51 4.01 4.00 1pooA1 LYS 126 H -0.01 0.23 -0.95 -0.55 8.42 7.14 1pooA1 LYS 126 HA -0.02 0.06 0.34 -0.75 4.32 3.94 1pooA1 LYS 126 HB2 -0.03 0.21 -0.02 -0.04 1.87 1.99 1pooA1 LYS 126 HB3 -0.04 -0.14 -0.05 -0.04 1.79 1.52 1pooA1 LYS 126 HG2 -0.02 0.09 0.01 -0.04 1.46 1.50 1pooA1 LYS 126 HG3 -0.03 -0.03 -0.01 -0.04 1.46 1.34 1pooA1 LYS 126 HD2 -0.02 0.05 -0.01 -0.04 1.69 1.66 1pooA1 LYS 126 HD3 -0.03 0.01 -0.03 -0.04 1.68 1.59 1pooA1 LYS 126 HE2 -0.04 -0.12 -0.07 -0.04 2.99 2.72 1pooA1 LYS 126 HE3 -0.03 0.03 -0.05 -0.04 2.99 2.89 1pooA1 ASN 127 H -0.03 0.09 0.02 -0.55 8.53 8.07 1pooA1 ASN 127 HA -0.02 0.40 0.90 -0.75 4.76 5.29 1pooA1 ASN 127 HB2 -0.01 0.07 0.14 -0.04 2.88 3.04 1pooA1 ASN 127 HB3 0.00 -0.15 0.12 -0.04 2.79 2.72 1pooA1 ASN 127 HD21 -0.00 0.22 -0.03 -0.04 7.03 7.18 1pooA1 ASN 127 HD22 -0.00 -0.10 -0.11 -0.04 7.74 7.48 1pooA1 THR 128 H -0.06 0.25 0.05 -0.55 8.28 7.97 1pooA1 THR 128 HA -0.11 0.27 0.92 -0.75 4.39 4.72 1pooA1 THR 128 HB -0.13 -0.01 -0.10 -0.04 4.32 4.04 1pooA1 THR 128 HG23 -0.09 -0.02 -0.29 -0.04 1.22 0.79 1pooA1 ILE 129 H -0.18 0.50 0.20 -0.55 8.25 8.22 1pooA1 ILE 129 HA -0.22 0.20 1.04 -0.75 4.18 4.44 1pooA1 ILE 129 HB -0.12 0.05 -0.00 -0.04 1.89 1.78 1pooA1 ILE 129 HG12 -0.16 -0.05 -0.06 -0.04 1.49 1.18 1pooA1 ILE 129 HG13 -0.18 -0.07 0.14 -0.04 1.21 1.05 1pooA1 ILE 129 HG23 -0.12 0.04 -0.18 -0.04 0.93 0.62 1pooA1 ILE 129 HD13 0.06 0.03 -0.23 -0.04 0.88 0.70 1pooA1 GLU 130 H -0.24 0.35 0.11 -0.55 8.60 8.28 1pooA1 GLU 130 HA -0.30 0.07 0.71 -0.75 4.29 4.01 1pooA1 GLU 130 HB2 -0.21 -0.02 -0.07 -0.04 2.09 1.75 1pooA1 GLU 130 HB3 -0.58 -0.02 -0.01 -0.04 1.99 1.33 1pooA1 GLU 130 HG2 -0.14 0.03 -0.14 -0.04 2.34 2.05 1pooA1 GLU 130 HG3 -0.06 0.00 -0.12 -0.04 2.34 2.11 1pooA1 ILE 131 H -0.53 0.16 0.16 -0.55 8.25 7.49 1pooA1 ILE 131 HA -0.25 0.22 0.89 -0.75 4.18 4.29 1pooA1 ILE 131 HB -0.27 -0.08 -0.03 -0.04 1.89 1.48 1pooA1 ILE 131 HG12 -0.13 0.04 -0.16 -0.04 1.49 1.19 1pooA1 ILE 131 HG13 -0.20 0.00 -0.85 -0.04 1.21 0.11 1pooA1 ILE 131 HG23 -0.26 0.00 -0.24 -0.04 0.93 0.39 1pooA1 ILE 131 HD13 -0.18 -0.00 -0.21 -0.04 0.88 0.45 1pooA1 TYR 132 H -0.04 0.71 0.25 -0.55 8.29 8.66 1pooA1 TYR 132 HA -0.16 0.20 0.87 -0.75 4.56 4.72 1pooA1 TYR 132 HB2 -0.19 0.02 -0.08 -0.04 3.06 2.77 1pooA1 TYR 132 HB3 -0.21 -0.08 -0.15 -0.04 2.98 2.49 1pooA1 TYR 132 HD2 -0.20 0.15 -0.23 -0.04 7.15 6.82 1pooA1 TYR 132 HE2 -0.20 0.01 -0.17 -0.04 6.85 6.45 1pooA1 ALA 133 H -0.04 0.54 0.26 -0.55 8.40 8.61 1pooA1 ALA 133 HA -0.10 0.22 0.79 -0.75 4.34 4.49 1pooA1 ALA 133 HB3 -0.08 0.01 0.06 -0.04 1.41 1.35 1pooA1 ILE 134 H -0.18 0.57 0.25 -0.55 8.25 8.34 1pooA1 ILE 134 HA -0.30 0.19 0.79 -0.75 4.18 4.11 1pooA1 ILE 134 HB -0.56 -0.06 0.02 -0.04 1.89 1.25 1pooA1 ILE 134 HG12 -0.31 0.02 -0.23 -0.04 1.49 0.93 1pooA1 ILE 134 HG13 -0.22 -0.02 -0.24 -0.04 1.21 0.69 1pooA1 ILE 134 HG23 -1.10 0.01 -0.32 -0.04 0.93 -0.52 1pooA1 ILE 134 HD13 -0.27 -0.02 -0.36 -0.04 0.88 0.19 1pooA1 ASP 135 H -0.29 0.74 0.22 -0.55 8.40 8.52 1pooA1 ASP 135 HA -0.16 0.08 0.60 -0.75 4.63 4.40 1pooA1 ASP 135 HB2 -0.15 0.14 -0.00 -0.04 2.71 2.66 1pooA1 ASP 135 HB3 -0.18 -0.37 0.18 -0.04 2.70 2.29 1pooA1 GLY 136 H -0.09 0.16 0.15 -0.55 8.43 8.10 1pooA1 GLY 136 HA2 -0.29 0.13 0.30 -0.51 4.01 3.64 1pooA1 GLY 136 HA3 0.15 0.02 0.34 -0.51 4.01 4.01 1pooA1 LYS 137 H 0.03 0.03 0.01 -0.55 8.42 7.94 1pooA1 LYS 137 HA 0.09 0.14 0.35 -0.75 4.32 4.14 1pooA1 LYS 137 HB2 0.05 -0.00 0.09 -0.04 1.87 1.97 1pooA1 LYS 137 HB3 0.02 -0.09 0.10 -0.04 1.79 1.78 1pooA1 LYS 137 HG2 0.03 0.02 -0.22 -0.04 1.46 1.25 1pooA1 LYS 137 HG3 0.05 0.04 -0.03 -0.04 1.46 1.48 1pooA1 LYS 137 HD2 0.02 -0.02 -0.01 -0.04 1.69 1.64 1pooA1 LYS 137 HD3 0.03 0.02 -0.03 -0.04 1.68 1.66 1pooA1 LYS 137 HE2 0.04 0.02 -0.01 -0.04 2.99 3.01 1pooA1 LYS 137 HE3 0.04 -0.04 0.00 -0.04 2.99 2.96 1pooA1 ASN 138 H -0.02 -0.05 -0.13 -0.55 8.53 7.78 1pooA1 ASN 138 HA 0.05 0.18 0.51 -0.75 4.76 4.75 1pooA1 ASN 138 HB2 -0.07 -0.13 0.02 -0.04 2.88 2.65 1pooA1 ASN 138 HB3 -0.01 0.07 -0.03 -0.04 2.79 2.78 1pooA1 ASN 138 HD21 -0.01 0.05 -0.02 -0.04 7.03 7.01 1pooA1 ASN 138 HD22 -0.03 -0.07 0.00 -0.04 7.74 7.60 1pooA1 GLY 139 H -0.11 0.12 -0.24 -0.55 8.43 7.65 1pooA1 GLY 139 HA2 -0.16 0.16 0.24 -0.51 4.01 3.73 1pooA1 GLY 139 HA3 0.03 0.13 0.56 -0.51 4.01 4.21 1pooA1 THR 140 H -0.21 -0.09 -0.02 -0.55 8.28 7.41 1pooA1 THR 140 HA -0.31 0.21 0.70 -0.75 4.39 4.24 1pooA1 THR 140 HB -0.13 0.07 0.00 -0.04 4.32 4.23 1pooA1 THR 140 HG23 -0.46 0.02 -0.17 -0.04 1.22 0.57 1pooA1 LEU 141 H -0.14 0.21 0.13 -0.55 8.37 8.02 1pooA1 LEU 141 HA -0.20 0.39 0.98 -0.75 4.35 4.76 1pooA1 LEU 141 HB2 -0.75 -0.03 -0.02 -0.04 1.64 0.80 1pooA1 LEU 141 HB3 -0.40 -0.03 -0.09 -0.04 1.64 1.08 1pooA1 LEU 141 HG -0.21 -0.01 -0.37 -0.04 1.64 1.00 1pooA1 LEU 141 HD13 -0.46 0.00 -0.19 -0.04 0.93 0.24 1pooA1 LEU 141 HD23 -0.24 0.03 -0.25 -0.04 0.89 0.39 1pooA1 GLN 142 H -0.07 0.47 0.23 -0.55 8.47 8.55 1pooA1 GLN 142 HA -0.04 0.13 0.88 -0.75 4.36 4.57 1pooA1 GLN 142 HB2 -0.04 0.11 0.01 -0.04 2.15 2.19 1pooA1 GLN 142 HB3 -0.06 0.04 -0.04 -0.04 2.02 1.92 1pooA1 GLN 142 HG2 -0.07 -0.08 0.11 -0.04 2.40 2.32 1pooA1 GLN 142 HG3 -0.06 0.04 -0.06 -0.04 2.39 2.27 1pooA1 GLN 142 HE21 -0.13 -0.10 -0.32 -0.04 6.97 6.39 1pooA1 GLN 142 HE22 -0.10 -0.04 -0.31 -0.04 7.69 7.20 1pooA1 SER 143 H 0.02 0.13 0.11 -0.55 8.46 8.17 1pooA1 SER 143 HA -0.32 0.15 0.57 -0.75 4.49 4.14 1pooA1 SER 143 HB2 -0.12 -0.02 0.12 -0.04 3.95 3.89 1pooA1 SER 143 HB3 -0.08 0.03 0.16 -0.04 3.93 4.00 1pooA1 ILE 144 H -0.23 0.57 0.36 -0.55 8.25 8.40 1pooA1 ILE 144 HA 0.01 0.28 1.00 -0.75 4.18 4.72 1pooA1 ILE 144 HB -0.06 -0.04 0.16 -0.04 1.89 1.90 1pooA1 ILE 144 HG12 -0.17 0.03 -0.21 -0.04 1.49 1.10 1pooA1 ILE 144 HG13 -0.20 -0.05 -0.23 -0.04 1.21 0.69 1pooA1 ILE 144 HG23 -0.06 0.05 -0.10 -0.04 0.93 0.77 1pooA1 ILE 144 HD13 -0.17 0.00 -0.27 -0.04 0.88 0.41 1pooA1 THR 145 H -0.17 0.04 0.05 -0.55 8.28 7.66 1pooA1 THR 145 HA -0.11 0.21 0.97 -0.75 4.39 4.71 1pooA1 THR 145 HB -0.19 0.03 0.13 -0.04 4.32 4.25 1pooA1 THR 145 HG23 -0.21 0.04 0.08 -0.04 1.22 1.09 1pooA1 ASP 146 H -0.25 0.25 0.13 -0.55 8.40 7.98 1pooA1 ASP 146 HA -1.24 0.15 0.38 -0.75 4.63 3.17 1pooA1 ASP 146 HB2 -0.28 0.04 0.12 -0.04 2.71 2.54 1pooA1 ASP 146 HB3 -0.24 0.10 0.05 -0.04 2.70 2.57 1pooA1 PRO 147 HA -0.16 0.07 0.33 -0.51 4.44 4.17 1pooA1 PRO 147 HB2 -0.11 0.01 -0.04 -0.04 2.28 2.11 1pooA1 PRO 147 HB3 -0.09 0.02 0.07 -0.04 2.02 1.98 1pooA1 PRO 147 HG2 -0.06 0.04 0.06 -0.04 2.03 2.02 1pooA1 PRO 147 HG3 -0.13 0.10 0.07 -0.04 2.03 2.03 1pooA1 PRO 147 HD2 -0.44 0.03 0.17 -0.04 3.68 3.39 1pooA1 PRO 147 HD3 -0.91 0.26 0.27 -0.04 3.65 3.23 1pooA1 ASN 148 H -0.20 0.01 -0.30 -0.55 8.53 7.50 1pooA1 ASN 148 HA -0.08 0.21 0.80 -0.75 4.76 4.94 1pooA1 ASN 148 HB2 -0.09 -0.03 0.00 -0.04 2.88 2.72 1pooA1 ASN 148 HB3 -0.06 0.03 0.04 -0.04 2.79 2.76 1pooA1 ASN 148 HD21 -0.03 0.02 -0.04 -0.04 7.03 6.94 1pooA1 ASN 148 HD22 -0.06 -0.01 -0.02 -0.04 7.74 7.60 1pooA1 ARG 149 H -0.17 -0.02 -0.36 -0.55 8.46 7.37 1pooA1 ARG 149 HA -0.08 0.23 0.81 -0.75 4.34 4.55 1pooA1 ARG 149 HB2 -0.06 0.01 -0.16 -0.04 1.90 1.64 1pooA1 ARG 149 HB3 -0.09 -0.10 0.13 -0.04 1.80 1.69 1pooA1 ARG 149 HG2 -0.06 0.01 0.02 -0.04 1.67 1.61 1pooA1 ARG 149 HG3 -0.04 0.07 0.05 -0.04 1.67 1.70 1pooA1 ARG 149 HD2 -0.02 0.01 0.02 -0.04 3.22 3.19 1pooA1 ARG 149 HD3 -0.03 0.01 -0.00 -0.04 3.22 3.16 1pooA1 PRO 150 HA -0.15 0.04 0.53 -0.51 4.44 4.36 1pooA1 PRO 150 HB2 -0.12 -0.05 -0.13 -0.04 2.28 1.95 1pooA1 PRO 150 HB3 -0.13 0.06 -0.01 -0.04 2.02 1.90 1pooA1 PRO 150 HG2 -0.08 -0.02 -0.07 -0.04 2.03 1.82 1pooA1 PRO 150 HG3 -0.08 0.05 -0.07 -0.04 2.03 1.90 1pooA1 PRO 150 HD2 -0.08 0.17 -0.06 -0.04 3.68 3.67 1pooA1 PRO 150 HD3 -0.10 0.19 -0.35 -0.04 3.65 3.34 1pooA1 ILE 151 H -0.16 0.15 0.13 -0.55 8.25 7.81 1pooA1 ILE 151 HA -0.15 0.18 0.69 -0.75 4.18 4.14 1pooA1 ILE 151 HB -0.24 0.04 0.29 -0.04 1.89 1.93 1pooA1 ILE 151 HG12 -0.13 -0.06 0.09 -0.04 1.49 1.35 1pooA1 ILE 151 HG13 -0.16 -0.03 0.15 -0.04 1.21 1.13 1pooA1 ILE 151 HG23 -0.51 0.01 -0.09 -0.04 0.93 0.30 1pooA1 ILE 151 HD13 -0.15 0.03 -0.12 -0.04 0.88 0.60 1pooA1 ALA 152 H -0.09 0.34 0.12 -0.55 8.40 8.22 1pooA1 ALA 152 HA -0.09 0.12 0.70 -0.75 4.34 4.32 1pooA1 ALA 152 HB3 -0.04 0.01 -0.03 -0.04 1.41 1.31 1pooA1 SER 153 H -0.03 0.67 0.32 -0.55 8.46 8.87 1pooA1 SER 153 HA 0.15 0.15 0.89 -0.75 4.49 4.92 1pooA1 SER 153 HB2 0.10 -0.16 0.06 -0.04 3.95 3.91 1pooA1 SER 153 HB3 0.04 0.04 -0.06 -0.04 3.93 3.91 1pooA1 ALA 154 H 0.06 0.11 0.10 -0.55 8.40 8.12 1pooA1 ALA 154 HA 0.01 0.19 0.53 -0.75 4.34 4.33 1pooA1 ALA 154 HB3 0.01 0.00 0.03 -0.04 1.41 1.42 1pooA1 ILE 155 H 0.02 -0.02 -0.28 -0.55 8.25 7.42 1pooA1 ILE 155 HA 0.01 0.02 0.41 -0.75 4.18 3.86 1pooA1 ILE 155 HB 0.02 0.05 -0.13 -0.04 1.89 1.79 1pooA1 ILE 155 HG12 -0.00 -0.03 -0.21 -0.04 1.49 1.21 1pooA1 ILE 155 HG13 0.00 -0.08 -0.14 -0.04 1.21 0.95 1pooA1 ILE 155 HG23 0.03 -0.05 -0.38 -0.04 0.93 0.48 1pooA1 ILE 155 HD13 -0.01 0.02 -0.41 -0.04 0.88 0.44 1pooA1 ASP 156 H 0.01 0.07 0.11 -0.55 8.40 8.04 1pooA1 ASP 156 HA 0.00 0.17 0.34 -0.75 4.63 4.38 1pooA1 ASP 156 HB2 -0.00 -0.11 0.09 -0.04 2.71 2.64 1pooA1 ASP 156 HB3 -0.00 0.05 -0.01 -0.04 2.70 2.70 1pooA1 GLU 157 H 0.01 -0.05 -0.30 -0.55 8.60 7.71 1pooA1 GLU 157 HA 0.01 0.27 0.63 -0.75 4.29 4.44 1pooA1 GLU 157 HB2 -0.02 0.06 -0.15 -0.04 2.09 1.94 1pooA1 GLU 157 HB3 -0.03 -0.22 0.14 -0.04 1.99 1.84 1pooA1 GLU 157 HG2 -0.04 -0.02 -0.09 -0.04 2.34 2.16 1pooA1 GLU 157 HG3 0.00 0.13 0.06 -0.04 2.34 2.49 1pooA1 VAL 158 H 0.03 0.25 -0.03 -0.55 8.24 7.94 1pooA1 VAL 158 HA 0.08 0.07 0.55 -0.75 4.13 4.08 1pooA1 VAL 158 HB 0.07 0.02 -0.06 -0.04 2.12 2.12 1pooA1 VAL 158 HG13 0.03 0.01 -0.08 -0.04 0.97 0.89 1pooA1 VAL 158 HG23 0.02 0.03 -0.04 -0.04 0.95 0.91 1pooA1 TYR 159 H 0.19 0.66 0.33 -0.55 8.29 8.92 1pooA1 TYR 159 HA 0.05 0.17 0.88 -0.75 4.56 4.91 1pooA1 TYR 159 HB2 0.04 -0.05 -0.13 -0.04 3.06 2.89 1pooA1 TYR 159 HB3 0.06 -0.14 0.09 -0.04 2.98 2.95 1pooA1 TYR 159 HD2 0.05 0.18 0.01 -0.04 7.15 7.36 1pooA1 TYR 159 HE2 0.05 -0.01 -0.09 -0.04 6.85 6.76 1pooA1 GLY 160 H 0.15 0.13 0.12 -0.55 8.43 8.29 1pooA1 GLY 160 HA2 -0.07 0.04 0.51 -0.51 4.01 3.98 1pooA1 GLY 160 HA3 0.01 0.17 0.38 -0.51 4.01 4.07 1pooA1 PHE 161 H 0.13 0.27 0.28 -0.55 8.34 8.46 1pooA1 PHE 161 HA 0.03 0.33 0.88 -0.75 4.62 5.11 1pooA1 PHE 161 HB2 0.02 0.03 -0.18 -0.04 3.15 2.98 1pooA1 PHE 161 HB3 0.02 -0.09 -0.07 -0.04 3.06 2.88 1pooA1 PHE 161 HD2 0.02 -0.03 -0.27 -0.04 7.28 6.96 1pooA1 PHE 161 HE2 0.01 -0.04 -0.23 -0.04 7.38 7.07 1pooA1 PHE 161 HZ 0.00 -0.04 -0.21 -0.04 7.32 7.03 1pooA1 SER 162 H -0.97 0.59 0.32 -0.55 8.46 7.86 1pooA1 SER 162 HA -0.13 0.09 0.56 -0.75 4.49 4.26 1pooA1 SER 162 HB2 0.00 0.20 -0.19 -0.04 3.95 3.92 1pooA1 SER 162 HB3 -0.07 -0.06 -0.17 -0.04 3.93 3.59 1pooA1 LEU 163 H -0.00 0.15 0.19 -0.55 8.37 8.16 1pooA1 LEU 163 HA -0.01 0.23 0.85 -0.75 4.35 4.67 1pooA1 LEU 163 HB2 0.12 -0.08 -0.03 -0.04 1.64 1.61 1pooA1 LEU 163 HB3 0.16 0.03 -0.09 -0.04 1.64 1.69 1pooA1 LEU 163 HG 0.19 0.02 -0.00 -0.04 1.64 1.81 1pooA1 LEU 163 HD13 0.20 0.03 -0.02 -0.04 0.93 1.11 1pooA1 LEU 163 HD23 0.14 -0.00 -0.32 -0.04 0.89 0.66 1pooA1 TYR 164 H 0.26 0.46 0.27 -0.55 8.29 8.73 1pooA1 TYR 164 HA 0.14 0.06 0.50 -0.75 4.56 4.52 1pooA1 TYR 164 HB2 0.10 0.14 -0.25 -0.04 3.06 3.01 1pooA1 TYR 164 HB3 0.18 -0.04 -0.16 -0.04 2.98 2.92 1pooA1 TYR 164 HD2 0.04 0.02 -0.20 -0.04 7.15 6.98 1pooA1 TYR 164 HE2 -0.04 0.06 -0.23 -0.04 6.85 6.60 1pooA1 HIS 165 H -0.19 0.17 -0.00 -0.55 8.41 7.84 1pooA1 HIS 165 HA -0.48 0.27 0.80 -0.75 4.63 4.47 1pooA1 HIS 165 HB2 -0.32 -0.01 -0.06 -0.04 3.26 2.83 1pooA1 HIS 165 HB3 -0.21 -0.06 0.13 -0.04 3.20 3.01 1pooA1 HIS 165 HD2 -1.12 -0.01 -0.60 -0.04 6.97 5.20 1pooA1 HIS 165 HE1 -0.14 0.00 -0.08 -0.04 7.75 7.50 1pooA1 SER 166 H -0.55 0.42 0.03 -0.55 8.46 7.81 1pooA1 SER 166 HA -0.39 0.04 0.38 -0.75 4.49 3.77 1pooA1 SER 166 HB2 0.03 0.08 0.07 -0.04 3.95 4.09 1pooA1 SER 166 HB3 -0.02 0.07 0.16 -0.04 3.93 4.10 1pooA1 GLN 167 H -0.17 0.43 0.32 -0.55 8.47 8.51 1pooA1 GLN 167 HA -0.35 0.17 0.48 -0.75 4.36 3.90 1pooA1 GLN 167 HB2 -0.10 0.06 0.14 -0.04 2.15 2.20 1pooA1 GLN 167 HB3 -0.12 -0.10 -0.20 -0.04 2.02 1.56 1pooA1 GLN 167 HG2 -0.24 0.09 -0.09 -0.04 2.40 2.12 1pooA1 GLN 167 HG3 -0.11 0.00 -0.30 -0.04 2.39 1.93 1pooA1 GLN 167 HE21 -0.04 0.05 -0.09 -0.04 6.97 6.84 1pooA1 GLN 167 HE22 -0.12 -0.01 -0.10 -0.04 7.69 7.41 1pooA1 LYS 168 H -0.07 -0.04 -0.24 -0.55 8.42 7.51 1pooA1 LYS 168 HA -0.04 0.15 0.59 -0.75 4.32 4.27 1pooA1 LYS 168 HB2 0.00 -0.04 0.09 -0.04 1.87 1.88 1pooA1 LYS 168 HB3 0.02 -0.11 0.13 -0.04 1.79 1.79 1pooA1 LYS 168 HG2 0.01 0.06 -0.22 -0.04 1.46 1.27 1pooA1 LYS 168 HG3 0.00 0.02 0.02 -0.04 1.46 1.46 1pooA1 LYS 168 HD2 0.02 0.04 -0.02 -0.04 1.69 1.69 1pooA1 LYS 168 HD3 0.02 -0.03 0.01 -0.04 1.68 1.64 1pooA1 LYS 168 HE2 0.05 -0.08 0.00 -0.04 2.99 2.92 1pooA1 LYS 168 HE3 0.04 0.03 -0.04 -0.04 2.99 2.98 1pooA1 THR 169 H -0.02 -0.02 -0.04 -0.55 8.28 7.65 1pooA1 THR 169 HA -0.00 0.24 0.62 -0.75 4.39 4.49 1pooA1 THR 169 HB 0.05 0.06 0.13 -0.04 4.32 4.52 1pooA1 THR 169 HG23 0.05 -0.00 -0.03 -0.04 1.22 1.19 1pooA1 GLY 170 H -0.14 0.25 -0.33 -0.55 8.43 7.66 1pooA1 GLY 170 HA2 -0.13 0.07 0.26 -0.51 4.01 3.70 1pooA1 GLY 170 HA3 -0.02 0.06 0.38 -0.51 4.01 3.93 1pooA1 LYS 171 H -0.02 -0.09 -0.47 -0.55 8.42 7.28 1pooA1 LYS 171 HA 0.10 0.29 1.07 -0.75 4.32 5.02 1pooA1 LYS 171 HB2 -0.17 0.09 0.08 -0.04 1.87 1.83 1pooA1 LYS 171 HB3 -0.01 0.06 0.03 -0.04 1.79 1.82 1pooA1 LYS 171 HG2 0.05 -0.06 -0.09 -0.04 1.46 1.32 1pooA1 LYS 171 HG3 0.08 -0.07 -0.07 -0.04 1.46 1.37 1pooA1 LYS 171 HD2 -0.01 0.02 -0.01 -0.04 1.69 1.64 1pooA1 LYS 171 HD3 0.02 0.06 -0.00 -0.04 1.68 1.72 1pooA1 LYS 171 HE2 0.10 -0.03 0.01 -0.04 2.99 3.04 1pooA1 LYS 171 HE3 0.23 -0.05 -0.01 -0.04 2.99 3.12 1pooA1 TYR 172 H 0.31 0.22 0.27 -0.55 8.29 8.54 1pooA1 TYR 172 HA 0.08 0.24 1.01 -0.75 4.56 5.14 1pooA1 TYR 172 HB2 0.23 0.00 0.13 -0.04 3.06 3.37 1pooA1 TYR 172 HB3 0.13 0.01 0.11 -0.04 2.98 3.18 1pooA1 TYR 172 HD2 0.01 -0.05 0.07 -0.04 7.15 7.14 1pooA1 TYR 172 HE2 -0.23 0.04 0.00 -0.04 6.85 6.63 1pooA1 TYR 173 H 0.33 0.63 0.45 -0.55 8.29 9.15 1pooA1 TYR 173 HA 0.18 0.20 1.00 -0.75 4.56 5.18 1pooA1 TYR 173 HB2 0.31 -0.06 -0.06 -0.04 3.06 3.20 1pooA1 TYR 173 HB3 0.16 0.03 0.02 -0.04 2.98 3.15 1pooA1 TYR 173 HD2 0.11 -0.01 -0.26 -0.04 7.15 6.94 1pooA1 TYR 173 HE2 0.07 -0.04 -0.10 -0.04 6.85 6.74 1pooA1 ALA 174 H 0.26 0.47 0.30 -0.55 8.40 8.88 1pooA1 ALA 174 HA -0.02 0.19 0.92 -0.75 4.34 4.68 1pooA1 ALA 174 HB3 0.21 -0.01 -0.04 -0.04 1.41 1.52 1pooA1 MET 175 H -0.36 0.89 0.31 -0.55 8.47 8.76 1pooA1 MET 175 HA -0.18 0.29 1.18 -0.75 4.52 5.06 1pooA1 MET 175 HB2 -0.09 -0.01 -0.01 -0.04 2.15 2.00 1pooA1 MET 175 HB3 -0.05 0.03 -0.13 -0.04 2.03 1.83 1pooA1 MET 175 HG2 0.19 0.01 -0.20 -0.04 2.63 2.60 1pooA1 MET 175 HG3 -0.05 -0.00 -0.18 -0.04 2.56 2.28 1pooA1 MET 175 HE3 -0.09 0.03 -0.21 -0.04 2.10 1.79 1pooA1 VAL 176 H -0.20 0.57 0.33 -0.55 8.24 8.39 1pooA1 VAL 176 HA 0.11 0.32 1.06 -0.75 4.13 4.87 1pooA1 VAL 176 HB 0.06 -0.00 -0.11 -0.04 2.12 2.04 1pooA1 VAL 176 HG13 0.25 0.02 -0.08 -0.04 0.97 1.11 1pooA1 VAL 176 HG23 0.09 -0.03 -0.06 -0.04 0.95 0.91 1pooA1 THR 177 H 0.10 0.48 0.27 -0.55 8.28 8.58 1pooA1 THR 177 HA 0.03 0.33 0.95 -0.75 4.39 4.94 1pooA1 THR 177 HB 0.12 -0.01 -0.29 -0.04 4.32 4.10 1pooA1 THR 177 HG23 0.15 0.01 -0.12 -0.04 1.22 1.22 1pooA1 GLY 178 H 0.09 0.32 0.26 -0.55 8.43 8.55 1pooA1 GLY 178 HA2 0.12 0.36 1.12 -0.51 4.01 5.10 1pooA1 GLY 178 HA3 0.06 -0.09 0.36 -0.51 4.01 3.83 1pooA1 LYS 179 H -0.01 0.35 0.23 -0.55 8.42 8.44 1pooA1 LYS 179 HA -0.10 0.11 0.42 -0.75 4.32 4.00 1pooA1 LYS 179 HB2 -0.06 -0.02 0.09 -0.04 1.87 1.84 1pooA1 LYS 179 HB3 -0.11 0.03 0.17 -0.04 1.79 1.84 1pooA1 LYS 179 HG2 -0.19 0.07 0.07 -0.04 1.46 1.36 1pooA1 LYS 179 HG3 -0.13 0.04 0.05 -0.04 1.46 1.37 1pooA1 LYS 179 HD2 -0.27 -0.00 0.04 -0.04 1.69 1.42 1pooA1 LYS 179 HD3 -0.72 -0.03 0.01 -0.04 1.68 0.90 1pooA1 LYS 179 HE2 -0.46 0.06 -0.06 -0.04 2.99 2.49 1pooA1 LYS 179 HE3 -0.20 0.02 -0.01 -0.04 2.99 2.76 1pooA1 GLU 180 H 0.02 -0.09 -0.41 -0.55 8.60 7.58 1pooA1 GLU 180 HA 0.02 0.24 0.88 -0.75 4.29 4.67 1pooA1 GLU 180 HB2 0.01 -0.11 0.00 -0.04 2.09 1.96 1pooA1 GLU 180 HB3 0.02 0.10 0.12 -0.04 1.99 2.18 1pooA1 GLU 180 HG2 0.00 0.08 0.05 -0.04 2.34 2.43 1pooA1 GLU 180 HG3 -0.01 -0.04 -0.27 -0.04 2.34 1.98 1pooA1 GLY 181 H 0.06 0.24 -0.06 -0.55 8.43 8.12 1pooA1 GLY 181 HA2 0.06 0.09 0.27 -0.51 4.01 3.92 1pooA1 GLY 181 HA3 0.04 0.46 0.68 -0.51 4.01 4.68 1pooA1 GLU 182 H 0.04 -0.14 -0.10 -0.55 8.60 7.86 1pooA1 GLU 182 HA 0.04 0.13 0.48 -0.75 4.29 4.19 1pooA1 GLU 182 HB2 0.02 -0.12 -0.01 -0.04 2.09 1.94 1pooA1 GLU 182 HB3 0.00 0.09 -0.02 -0.04 1.99 2.02 1pooA1 GLU 182 HG2 0.01 0.09 -0.04 -0.04 2.34 2.36 1pooA1 GLU 182 HG3 0.02 0.07 -0.09 -0.04 2.34 2.30 1pooA1 PHE 183 H -0.01 0.44 0.37 -0.55 8.34 8.58 1pooA1 PHE 183 HA -0.19 0.24 1.02 -0.75 4.62 4.94 1pooA1 PHE 183 HB2 -0.39 0.03 -0.16 -0.04 3.15 2.59 1pooA1 PHE 183 HB3 -0.89 0.10 0.07 -0.04 3.06 2.30 1pooA1 PHE 183 HD2 -0.84 -0.09 -0.23 -0.04 7.28 6.08 1pooA1 PHE 183 HE2 -0.34 -0.03 -0.29 -0.04 7.38 6.69 1pooA1 PHE 183 HZ -0.25 0.01 -0.25 -0.04 7.32 6.78 1pooA1 GLU 184 H -0.85 0.70 0.32 -0.55 8.60 8.22 1pooA1 GLU 184 HA -0.54 0.23 0.91 -0.75 4.29 4.14 1pooA1 GLU 184 HB2 -0.13 -0.04 -0.02 -0.04 2.09 1.86 1pooA1 GLU 184 HB3 -0.23 0.00 -0.04 -0.04 1.99 1.68 1pooA1 GLU 184 HG2 -0.22 0.08 0.13 -0.04 2.34 2.29 1pooA1 GLU 184 HG3 -0.15 0.06 -0.21 -0.04 2.34 2.00 1pooA1 GLN 185 H -0.46 0.70 0.33 -0.55 8.47 8.49 1pooA1 GLN 185 HA -0.19 0.32 1.11 -0.75 4.36 4.84 1pooA1 GLN 185 HB2 -0.23 0.03 -0.18 -0.04 2.15 1.72 1pooA1 GLN 185 HB3 -0.12 -0.07 0.04 -0.04 2.02 1.84 1pooA1 GLN 185 HG2 0.10 -0.07 -0.36 -0.04 2.40 2.04 1pooA1 GLN 185 HG3 0.08 0.02 -0.12 -0.04 2.39 2.33 1pooA1 GLN 185 HE21 -0.41 0.31 -0.15 -0.04 6.97 6.69 1pooA1 GLN 185 HE22 -0.63 -0.07 -0.15 -0.04 7.69 6.79 1pooA1 TYR 186 H 0.22 0.64 0.33 -0.55 8.29 8.93 1pooA1 TYR 186 HA 0.05 0.16 0.80 -0.75 4.56 4.81 1pooA1 TYR 186 HB2 0.04 0.03 0.03 -0.04 3.06 3.12 1pooA1 TYR 186 HB3 0.02 -0.07 -0.13 -0.04 2.98 2.76 1pooA1 TYR 186 HD2 -0.03 0.02 -0.30 -0.04 7.15 6.81 1pooA1 TYR 186 HE2 -0.05 0.02 -0.13 -0.04 6.85 6.64 1pooA1 GLU 187 H 0.16 0.36 0.31 -0.55 8.60 8.88 1pooA1 GLU 187 HA -0.09 0.21 0.94 -0.75 4.29 4.60 1pooA1 GLU 187 HB2 0.14 -0.02 0.12 -0.04 2.09 2.30 1pooA1 GLU 187 HB3 0.06 -0.04 0.19 -0.04 1.99 2.16 1pooA1 GLU 187 HG2 -0.10 0.13 -0.15 -0.04 2.34 2.18 1pooA1 GLU 187 HG3 -0.45 0.03 0.06 -0.04 2.34 1.93 1pooA1 LEU 188 H -0.02 0.49 0.23 -0.55 8.37 8.53 1pooA1 LEU 188 HA 0.04 0.33 0.85 -0.75 4.35 4.82 1pooA1 LEU 188 HB2 0.15 -0.02 -0.00 -0.04 1.64 1.72 1pooA1 LEU 188 HB3 -0.09 -0.02 -0.07 -0.04 1.64 1.42 1pooA1 LEU 188 HG 0.10 -0.02 -0.24 -0.04 1.64 1.44 1pooA1 LEU 188 HD13 0.03 -0.01 -0.25 -0.04 0.93 0.66 1pooA1 LEU 188 HD23 0.01 0.00 -0.29 -0.04 0.89 0.57 1pooA1 ASN 189 H 0.08 0.64 0.39 -0.55 8.53 9.09 1pooA1 ASN 189 HA 0.15 0.15 0.76 -0.75 4.76 5.07 1pooA1 ASN 189 HB2 0.05 -0.06 -0.09 -0.04 2.88 2.74 1pooA1 ASN 189 HB3 0.04 0.04 0.02 -0.04 2.79 2.85 1pooA1 ASN 189 HD21 0.00 -0.04 -0.12 -0.04 7.03 6.83 1pooA1 ASN 189 HD22 0.01 0.02 0.01 -0.04 7.74 7.74 1pooA1 ALA 190 H 0.11 0.19 0.17 -0.55 8.40 8.32 1pooA1 ALA 190 HA 0.13 0.23 0.82 -0.75 4.34 4.77 1pooA1 ALA 190 HB3 0.11 0.02 0.19 -0.04 1.41 1.69 1pooA1 ASP 191 H 0.07 0.38 0.23 -0.55 8.40 8.53 1pooA1 ASP 191 HA 0.04 0.20 0.65 -0.75 4.63 4.77 1pooA1 ASP 191 HB2 0.04 -0.06 0.15 -0.04 2.71 2.81 1pooA1 ASP 191 HB3 0.05 0.09 0.03 -0.04 2.70 2.82 1pooA1 LYS 192 H 0.03 0.17 0.14 -0.55 8.42 8.20 1pooA1 LYS 192 HA 0.00 0.18 0.49 -0.75 4.32 4.24 1pooA1 LYS 192 HB2 0.01 -0.02 0.10 -0.04 1.87 1.92 1pooA1 LYS 192 HB3 0.00 0.04 0.13 -0.04 1.79 1.93 1pooA1 LYS 192 HG2 0.00 0.02 0.05 -0.04 1.46 1.49 1pooA1 LYS 192 HG3 0.00 0.05 0.03 -0.04 1.46 1.50 1pooA1 LYS 192 HD2 0.01 -0.03 0.04 -0.04 1.69 1.67 1pooA1 LYS 192 HD3 0.01 -0.01 0.06 -0.04 1.68 1.70 1pooA1 LYS 192 HE2 0.00 0.03 0.01 -0.04 2.99 2.99 1pooA1 LYS 192 HE3 0.01 0.01 0.01 -0.04 2.99 2.98 1pooA1 ASN 193 H 0.05 -0.03 -0.45 -0.55 8.53 7.54 1pooA1 ASN 193 HA -0.02 0.25 0.78 -0.75 4.76 5.01 1pooA1 ASN 193 HB2 0.24 -0.06 -0.06 -0.04 2.88 2.97 1pooA1 ASN 193 HB3 0.13 0.05 0.09 -0.04 2.79 3.02 1pooA1 ASN 193 HD21 0.05 0.04 -0.04 -0.04 7.03 7.03 1pooA1 ASN 193 HD22 0.10 -0.02 -0.04 -0.04 7.74 7.74 1pooA1 GLY 194 H -0.05 0.29 -0.27 -0.55 8.43 7.85 1pooA1 GLY 194 HA2 -0.12 0.05 0.22 -0.51 4.01 3.66 1pooA1 GLY 194 HA3 -0.27 0.14 0.52 -0.51 4.01 3.89 1pooA1 TYR 195 H 0.04 -0.07 -0.02 -0.55 8.29 7.68 1pooA1 TYR 195 HA -0.06 0.35 0.86 -0.75 4.56 4.96 1pooA1 TYR 195 HB2 -0.05 -0.14 -0.12 -0.04 3.06 2.71 1pooA1 TYR 195 HB3 -0.08 -0.00 0.02 -0.04 2.98 2.88 1pooA1 TYR 195 HD2 -0.06 -0.04 -0.31 -0.04 7.15 6.70 1pooA1 TYR 195 HE2 -0.04 -0.00 -0.08 -0.04 6.85 6.68 1pooA1 ILE 196 H 0.05 0.52 0.37 -0.55 8.25 8.64 1pooA1 ILE 196 HA 0.01 0.21 0.98 -0.75 4.18 4.63 1pooA1 ILE 196 HB -0.19 -0.03 0.03 -0.04 1.89 1.66 1pooA1 ILE 196 HG12 -0.20 0.03 -0.18 -0.04 1.49 1.09 1pooA1 ILE 196 HG13 -0.15 0.03 -0.22 -0.04 1.21 0.84 1pooA1 ILE 196 HG23 -0.27 -0.01 -0.20 -0.04 0.93 0.41 1pooA1 ILE 196 HD13 -0.76 -0.01 -0.19 -0.04 0.88 -0.12 1pooA1 SER 197 H 0.02 0.82 0.41 -0.55 8.46 9.16 1pooA1 SER 197 HA -0.05 0.15 0.98 -0.75 4.49 4.82 1pooA1 SER 197 HB2 0.03 0.03 0.04 -0.04 3.95 4.00 1pooA1 SER 197 HB3 0.01 0.08 0.06 -0.04 3.93 4.04 1pooA1 GLY 198 H -0.02 0.21 0.21 -0.55 8.43 8.29 1pooA1 GLY 198 HA2 0.08 0.56 1.00 -0.51 4.01 5.14 1pooA1 GLY 198 HA3 0.04 -0.04 0.21 -0.51 4.01 3.70 1pooA1 LYS 199 H 0.20 0.15 0.23 -0.55 8.42 8.44 1pooA1 LYS 199 HA 0.15 0.14 0.83 -0.75 4.32 4.69 1pooA1 LYS 199 HB2 0.05 0.05 -0.06 -0.04 1.87 1.87 1pooA1 LYS 199 HB3 0.06 0.07 -0.03 -0.04 1.79 1.85 1pooA1 LYS 199 HG2 0.07 0.08 -0.08 -0.04 1.46 1.49 1pooA1 LYS 199 HG3 0.07 -0.10 0.15 -0.04 1.46 1.55 1pooA1 LYS 199 HD2 0.04 0.01 -0.08 -0.04 1.69 1.62 1pooA1 LYS 199 HD3 0.04 0.02 -0.08 -0.04 1.68 1.62 1pooA1 LYS 199 HE2 0.04 0.02 -0.06 -0.04 2.99 2.96 1pooA1 LYS 199 HE3 0.04 0.00 -0.04 -0.04 2.99 2.95 1pooA1 LYS 200 H 0.02 0.18 0.10 -0.55 8.42 8.16 1pooA1 LYS 200 HA -0.65 0.12 0.47 -0.75 4.32 3.50 1pooA1 LYS 200 HB2 -0.18 -0.01 0.17 -0.04 1.87 1.82 1pooA1 LYS 200 HB3 -0.16 0.02 0.17 -0.04 1.79 1.79 1pooA1 LYS 200 HG2 -0.66 0.09 0.06 -0.04 1.46 0.92 1pooA1 LYS 200 HG3 -0.56 -0.04 0.02 -0.04 1.46 0.83 1pooA1 LYS 200 HD2 -0.16 0.01 -0.14 -0.04 1.69 1.35 1pooA1 LYS 200 HD3 -0.22 0.02 -0.01 -0.04 1.68 1.43 1pooA1 LYS 200 HE2 -0.07 0.01 0.01 -0.04 2.99 2.89 1pooA1 LYS 200 HE3 -0.07 0.01 -0.03 -0.04 2.99 2.85 1pooA1 VAL 201 H -0.12 0.37 0.58 -0.55 8.24 8.52 1pooA1 VAL 201 HA -0.01 0.15 0.86 -0.75 4.13 4.38 1pooA1 VAL 201 HB 0.08 -0.05 0.12 -0.04 2.12 2.23 1pooA1 VAL 201 HG13 0.09 0.07 0.04 -0.04 0.97 1.13 1pooA1 VAL 201 HG23 0.17 -0.01 -0.10 -0.04 0.95 0.97 1pooA1 ARG 202 H -0.16 0.32 0.19 -0.55 8.46 8.26 1pooA1 ARG 202 HA -0.00 0.13 0.47 -0.75 4.34 4.19 1pooA1 ARG 202 HB2 0.02 0.06 -0.18 -0.04 1.90 1.76 1pooA1 ARG 202 HB3 0.04 -0.09 -0.07 -0.04 1.80 1.64 1pooA1 ARG 202 HG2 0.13 -0.17 0.11 -0.04 1.67 1.70 1pooA1 ARG 202 HG3 0.09 0.21 0.14 -0.04 1.67 2.06 1pooA1 ARG 202 HD2 0.34 -0.08 -0.26 -0.04 3.22 3.18 1pooA1 ARG 202 HD3 0.36 0.01 -0.18 -0.04 3.22 3.37 1pooA1 ALA 203 H 0.05 0.30 0.13 -0.55 8.40 8.34 1pooA1 ALA 203 HA -0.15 0.16 0.55 -0.75 4.34 4.15 1pooA1 ALA 203 HB3 -0.08 0.01 0.01 -0.04 1.41 1.31 1pooA1 PHE 204 H -0.10 0.53 0.29 -0.55 8.34 8.50 1pooA1 PHE 204 HA 0.00 0.06 0.42 -0.75 4.62 4.35 1pooA1 PHE 204 HB2 -0.06 0.01 0.16 -0.04 3.15 3.22 1pooA1 PHE 204 HB3 -0.03 0.12 0.03 -0.04 3.06 3.15 1pooA1 PHE 204 HD2 -0.13 0.03 -0.47 -0.04 7.28 6.66 1pooA1 PHE 204 HE2 -0.70 0.05 -0.19 -0.04 7.38 6.50 1pooA1 PHE 204 HZ -2.04 -0.00 -0.20 -0.04 7.32 5.04 1pooA1 LYS 205 H 0.18 0.18 0.16 -0.55 8.42 8.39 1pooA1 LYS 205 HA 0.10 0.13 0.88 -0.75 4.32 4.68 1pooA1 LYS 205 HB2 0.05 -0.05 -0.06 -0.04 1.87 1.77 1pooA1 LYS 205 HB3 0.05 -0.01 0.05 -0.04 1.79 1.84 1pooA1 LYS 205 HG2 0.02 -0.03 -0.12 -0.04 1.46 1.29 1pooA1 LYS 205 HG3 0.03 0.14 -0.34 -0.04 1.46 1.25 1pooA1 LYS 205 HD2 0.04 -0.07 -0.35 -0.04 1.69 1.26 1pooA1 LYS 205 HD3 0.03 -0.11 -0.12 -0.04 1.68 1.44 1pooA1 LYS 205 HE2 0.02 -0.17 -0.14 -0.04 2.99 2.66 1pooA1 LYS 205 HE3 0.02 -0.07 -0.07 -0.04 2.99 2.83 1pooA1 MET 206 H 0.05 0.36 0.01 -0.55 8.47 8.34 1pooA1 MET 206 HA -0.09 0.13 0.84 -0.75 4.52 4.65 1pooA1 MET 206 HB2 0.01 0.19 0.15 -0.04 2.15 2.46 1pooA1 MET 206 HB3 -0.11 -0.10 0.04 -0.04 2.03 1.82 1pooA1 MET 206 HG2 -0.26 -0.02 -0.02 -0.04 2.63 2.29 1pooA1 MET 206 HG3 0.10 0.01 -0.37 -0.04 2.56 2.26 1pooA1 MET 206 HE3 -0.37 -0.01 -0.13 -0.04 2.10 1.54 1pooA1 ASN 207 H -0.08 0.11 0.11 -0.55 8.53 8.13 1pooA1 ASN 207 HA 0.01 0.05 0.32 -0.75 4.76 4.39 1pooA1 ASN 207 HB2 0.01 0.01 0.13 -0.04 2.88 2.99 1pooA1 ASN 207 HB3 0.05 -0.06 0.09 -0.04 2.79 2.83 1pooA1 ASN 207 HD21 0.03 -0.01 0.02 -0.04 7.03 7.03 1pooA1 ASN 207 HD22 0.02 0.01 0.08 -0.04 7.74 7.80 1pooA1 SER 208 H 0.04 0.06 -0.20 -0.55 8.46 7.82 1pooA1 SER 208 HA 0.04 0.28 0.64 -0.75 4.49 4.70 1pooA1 SER 208 HB2 0.06 -0.08 0.10 -0.04 3.95 3.99 1pooA1 SER 208 HB3 0.05 0.11 -0.09 -0.04 3.93 3.96 1pooA1 GLN 209 H 0.05 0.15 0.04 -0.55 8.47 8.17 1pooA1 GLN 209 HA 0.08 -0.06 0.25 -0.75 4.36 3.87 1pooA1 GLN 209 HB2 0.03 0.23 0.13 -0.04 2.15 2.50 1pooA1 GLN 209 HB3 0.07 -0.10 0.10 -0.04 2.02 2.06 1pooA1 GLN 209 HG2 0.19 -0.05 -0.24 -0.04 2.40 2.26 1pooA1 GLN 209 HG3 0.09 0.03 0.06 -0.04 2.39 2.52 1pooA1 GLN 209 HE21 -0.41 0.02 0.01 -0.04 6.97 6.54 1pooA1 GLN 209 HE22 -0.70 0.01 -0.05 -0.04 7.69 6.91 1pooA1 THR 210 H 0.16 0.30 0.31 -0.55 8.28 8.51 1pooA1 THR 210 HA 0.16 0.15 1.09 -0.75 4.39 5.03 1pooA1 THR 210 HB 0.14 0.05 -0.05 -0.04 4.32 4.41 1pooA1 THR 210 HG23 0.11 0.04 -0.20 -0.04 1.22 1.13 1pooA1 GLU 211 H 0.12 0.32 0.29 -0.55 8.60 8.79 1pooA1 GLU 211 HA -0.01 0.03 0.74 -0.75 4.29 4.29 1pooA1 GLU 211 HB2 -0.05 0.02 -0.12 -0.04 2.09 1.90 1pooA1 GLU 211 HB3 -0.03 0.02 0.07 -0.04 1.99 2.01 1pooA1 GLU 211 HG2 -0.24 -0.04 -0.12 -0.04 2.34 1.91 1pooA1 GLU 211 HG3 -1.07 -0.02 -0.06 -0.04 2.34 1.14 1pooA1 GLY 212 H 0.08 0.18 0.21 -0.55 8.43 8.35 1pooA1 GLY 212 HA2 0.07 -0.01 0.44 -0.51 4.01 4.00 1pooA1 GLY 212 HA3 0.10 0.35 0.29 -0.51 4.01 4.24 1pooA1 MET 213 H 0.10 0.28 0.29 -0.55 8.47 8.59 1pooA1 MET 213 HA 0.14 0.33 0.85 -0.75 4.52 5.09 1pooA1 MET 213 HB2 0.10 -0.01 -0.43 -0.04 2.15 1.77 1pooA1 MET 213 HB3 0.07 0.02 -0.14 -0.04 2.03 1.94 1pooA1 MET 213 HG2 0.06 -0.06 -0.29 -0.04 2.63 2.30 1pooA1 MET 213 HG3 0.11 0.14 -0.08 -0.04 2.56 2.69 1pooA1 MET 213 HE3 0.03 -0.03 -0.51 -0.04 2.10 1.56 1pooA1 ALA 214 H 0.18 0.59 0.30 -0.55 8.40 8.93 1pooA1 ALA 214 HA 0.14 0.16 0.80 -0.75 4.34 4.69 1pooA1 ALA 214 HB3 0.15 0.02 -0.19 -0.04 1.41 1.35 1pooA1 ALA 215 H 0.19 0.23 0.21 -0.55 8.40 8.48 1pooA1 ALA 215 HA 0.13 0.22 1.13 -0.75 4.34 5.07 1pooA1 ALA 215 HB3 0.10 0.04 -0.01 -0.04 1.41 1.49 1pooA1 ASP 216 H 0.17 0.73 0.24 -0.55 8.40 9.00 1pooA1 ASP 216 HA 0.36 0.11 0.67 -0.75 4.63 5.01 1pooA1 ASP 216 HB2 0.31 0.15 0.07 -0.04 2.71 3.20 1pooA1 ASP 216 HB3 0.25 -0.30 0.23 -0.04 2.70 2.83 1pooA1 ASP 217 H 0.40 0.26 0.24 -0.55 8.40 8.75 1pooA1 ASP 217 HA 0.36 0.06 0.40 -0.75 4.63 4.69 1pooA1 ASP 217 HB2 0.04 -0.00 0.13 -0.04 2.71 2.84 1pooA1 ASP 217 HB3 -0.07 0.22 0.11 -0.04 2.70 2.92 1pooA1 GLU 218 H 0.25 0.03 -0.12 -0.55 8.60 8.21 1pooA1 GLU 218 HA -0.03 0.24 0.80 -0.75 4.29 4.54 1pooA1 GLU 218 HB2 0.02 -0.05 0.05 -0.04 2.09 2.06 1pooA1 GLU 218 HB3 -0.20 0.07 -0.03 -0.04 1.99 1.79 1pooA1 GLU 218 HG2 -0.06 0.21 0.06 -0.04 2.34 2.51 1pooA1 GLU 218 HG3 0.06 -0.11 0.04 -0.04 2.34 2.29 1pooA1 TYR 219 H 0.28 0.02 -0.08 -0.55 8.29 7.96 1pooA1 TYR 219 HA 0.05 0.20 0.48 -0.75 4.56 4.54 1pooA1 TYR 219 HB2 0.08 -0.09 0.00 -0.04 3.06 3.01 1pooA1 TYR 219 HB3 0.04 0.10 -0.06 -0.04 2.98 3.02 1pooA1 TYR 219 HD2 0.06 0.01 -0.03 -0.04 7.15 7.15 1pooA1 TYR 219 HE2 0.03 0.07 -0.00 -0.04 6.85 6.90 1pooA1 GLY 220 H 0.22 0.19 -0.21 -0.55 8.43 8.08 1pooA1 GLY 220 HA2 0.18 0.04 0.22 -0.51 4.01 3.95 1pooA1 GLY 220 HA3 0.10 0.09 0.52 -0.51 4.01 4.20 1pooA1 SER 221 H 0.09 0.03 0.09 -0.55 8.46 8.12 1pooA1 SER 221 HA -0.14 0.35 1.00 -0.75 4.49 4.95 1pooA1 SER 221 HB2 -0.04 -0.14 -0.01 -0.04 3.95 3.72 1pooA1 SER 221 HB3 -0.53 0.11 -0.03 -0.04 3.93 3.43 1pooA1 LEU 222 H -0.24 0.68 0.11 -0.55 8.37 8.37 1pooA1 LEU 222 HA -0.06 0.16 0.92 -0.75 4.35 4.62 1pooA1 LEU 222 HB2 -0.17 -0.04 -0.29 -0.04 1.64 1.10 1pooA1 LEU 222 HB3 -0.05 0.00 -0.35 -0.04 1.64 1.20 1pooA1 LEU 222 HG 0.02 -0.03 -0.51 -0.04 1.64 1.07 1pooA1 LEU 222 HD13 0.04 0.04 -0.20 -0.04 0.93 0.76 1pooA1 LEU 222 HD23 -0.16 0.01 -0.25 -0.04 0.89 0.45 1pooA1 TYR 223 H 0.22 0.71 0.31 -0.55 8.29 8.98 1pooA1 TYR 223 HA 0.15 0.40 1.08 -0.75 4.56 5.43 1pooA1 TYR 223 HB2 0.07 -0.10 0.06 -0.04 3.06 3.05 1pooA1 TYR 223 HB3 0.06 0.04 -0.01 -0.04 2.98 3.03 1pooA1 TYR 223 HD2 0.01 0.04 -0.17 -0.04 7.15 6.99 1pooA1 TYR 223 HE2 -0.02 -0.01 -0.16 -0.04 6.85 6.62 1pooA1 ILE 224 H 0.35 0.45 0.21 -0.55 8.25 8.71 1pooA1 ILE 224 HA 0.19 0.31 1.01 -0.75 4.18 4.93 1pooA1 ILE 224 HB 0.36 -0.07 -0.07 -0.04 1.89 2.07 1pooA1 ILE 224 HG12 0.09 0.08 -0.25 -0.04 1.49 1.37 1pooA1 ILE 224 HG13 0.13 -0.05 -0.55 -0.04 1.21 0.69 1pooA1 ILE 224 HG23 0.13 0.00 -0.29 -0.04 0.93 0.73 1pooA1 ILE 224 HD13 -0.38 0.00 -0.24 -0.04 0.88 0.22 1pooA1 ALA 225 H 0.17 0.87 0.25 -0.55 8.40 9.14 1pooA1 ALA 225 HA 0.22 0.15 0.96 -0.75 4.34 4.92 1pooA1 ALA 225 HB3 0.13 -0.04 0.05 -0.04 1.41 1.50 1pooA1 GLU 226 H 0.33 0.67 0.35 -0.55 8.60 9.40 1pooA1 GLU 226 HA 0.18 0.20 0.75 -0.75 4.29 4.67 1pooA1 GLU 226 HB2 0.46 0.06 0.09 -0.04 2.09 2.66 1pooA1 GLU 226 HB3 0.39 -0.30 0.33 -0.04 1.99 2.36 1pooA1 GLU 226 HG2 0.18 -0.08 -0.08 -0.04 2.34 2.32 1pooA1 GLU 226 HG3 0.14 0.20 -0.10 -0.04 2.34 2.54 1pooA1 GLU 227 H 0.14 0.34 0.21 -0.55 8.60 8.74 1pooA1 GLU 227 HA 0.10 0.02 0.43 -0.75 4.29 4.09 1pooA1 GLU 227 HB2 0.11 0.06 0.12 -0.04 2.09 2.33 1pooA1 GLU 227 HB3 0.09 -0.03 -0.04 -0.04 1.99 1.96 1pooA1 GLU 227 HG2 0.11 0.09 0.02 -0.04 2.34 2.52 1pooA1 GLU 227 HG3 0.14 0.01 0.08 -0.04 2.34 2.53 1pooA1 ASP 228 H 0.09 0.13 -0.05 -0.55 8.40 8.03 1pooA1 ASP 228 HA 0.05 0.16 0.92 -0.75 4.63 5.01 1pooA1 ASP 228 HB2 0.06 -0.02 0.07 -0.04 2.71 2.77 1pooA1 ASP 228 HB3 0.04 0.06 0.17 -0.04 2.70 2.93 1pooA1 GLU 229 H 0.11 0.38 -0.17 -0.55 8.60 8.38 1pooA1 GLU 229 HA 0.06 0.25 1.10 -0.75 4.29 4.95 1pooA1 GLU 229 HB2 0.24 -0.03 0.15 -0.04 2.09 2.41 1pooA1 GLU 229 HB3 0.19 0.00 -0.01 -0.04 1.99 2.13 1pooA1 GLU 229 HG2 0.10 -0.07 -0.29 -0.04 2.34 2.05 1pooA1 GLU 229 HG3 0.16 -0.03 -0.07 -0.04 2.34 2.36 1pooA1 ALA 230 H 0.18 0.28 0.30 -0.55 8.40 8.61 1pooA1 ALA 230 HA -0.05 0.07 0.54 -0.75 4.34 4.14 1pooA1 ALA 230 HB3 -0.36 0.04 -0.02 -0.04 1.41 1.03 1pooA1 ILE 231 H -0.20 0.52 0.35 -0.55 8.25 8.37 1pooA1 ILE 231 HA 0.13 0.19 0.93 -0.75 4.18 4.68 1pooA1 ILE 231 HB -0.16 -0.07 0.12 -0.04 1.89 1.74 1pooA1 ILE 231 HG12 0.05 0.02 -0.13 -0.04 1.49 1.40 1pooA1 ILE 231 HG13 -0.01 -0.05 -0.21 -0.04 1.21 0.91 1pooA1 ILE 231 HG23 0.04 0.02 -0.21 -0.04 0.93 0.74 1pooA1 ILE 231 HD13 -0.09 0.01 -0.18 -0.04 0.88 0.58 1pooA1 TRP 232 H 0.41 0.60 0.30 -0.55 7.97 8.73 1pooA1 TRP 232 HA -0.11 0.22 0.86 -0.75 4.62 4.84 1pooA1 TRP 232 HB2 0.17 -0.02 -0.03 -0.04 3.23 3.31 1pooA1 TRP 232 HB3 -0.41 0.02 -0.17 -0.04 3.23 2.62 1pooA1 TRP 232 HD1 0.09 0.13 -0.11 -0.04 7.22 7.29 1pooA1 TRP 232 HE1 0.04 -0.08 -0.08 -0.04 10.20 10.04 1pooA1 TRP 232 HE3 -0.33 -0.02 -0.56 -0.04 7.59 6.64 1pooA1 TRP 232 HZ2 0.00 -0.04 -0.06 -0.04 7.44 7.31 1pooA1 TRP 232 HZ3 -0.13 0.19 0.01 -0.04 7.13 7.16 1pooA1 TRP 232 HH2 -0.04 0.00 -0.02 -0.04 7.19 7.10 1pooA1 LYS 233 H -0.10 0.44 0.24 -0.55 8.42 8.45 1pooA1 LYS 233 HA -0.16 0.23 1.07 -0.75 4.32 4.70 1pooA1 LYS 233 HB2 -0.02 0.01 -0.10 -0.04 1.87 1.72 1pooA1 LYS 233 HB3 -0.13 -0.04 0.14 -0.04 1.79 1.71 1pooA1 LYS 233 HG2 -0.26 0.06 -0.12 -0.04 1.46 1.10 1pooA1 LYS 233 HG3 -0.72 -0.05 -0.03 -0.04 1.46 0.61 1pooA1 LYS 233 HD2 0.06 0.04 -0.11 -0.04 1.69 1.64 1pooA1 LYS 233 HD3 -0.08 -0.03 -0.08 -0.04 1.68 1.45 1pooA1 LYS 233 HE2 -0.13 -0.03 -0.09 -0.04 2.99 2.70 1pooA1 LYS 233 HE3 -0.10 -0.07 -0.09 -0.04 2.99 2.69 1pooA1 PHE 234 H -0.03 0.73 0.32 -0.55 8.34 8.81 1pooA1 PHE 234 HA -0.10 0.24 0.84 -0.75 4.62 4.84 1pooA1 PHE 234 HB2 -0.14 -0.02 -0.13 -0.04 3.15 2.82 1pooA1 PHE 234 HB3 -0.12 0.09 0.01 -0.04 3.06 3.00 1pooA1 PHE 234 HD2 -0.15 0.06 -0.38 -0.04 7.28 6.77 1pooA1 PHE 234 HE2 -0.37 0.03 -0.28 -0.04 7.38 6.72 1pooA1 PHE 234 HZ -0.58 -0.02 -0.16 -0.04 7.32 6.53 1pooA1 SER 235 H 0.10 0.22 0.09 -0.55 8.46 8.33 1pooA1 SER 235 HA -0.05 0.23 0.80 -0.75 4.49 4.72 1pooA1 SER 235 HB2 -0.01 0.08 0.12 -0.04 3.95 4.10 1pooA1 SER 235 HB3 -0.00 -0.02 0.11 -0.04 3.93 3.98 1pooA1 ALA 236 H -0.16 0.69 0.09 -0.55 8.40 8.48 1pooA1 ALA 236 HA -0.26 0.17 0.52 -0.75 4.34 4.02 1pooA1 ALA 236 HB3 -0.92 -0.03 -0.36 -0.04 1.41 0.06 1pooA1 GLU 237 H -0.09 0.07 -0.11 -0.55 8.60 7.92 1pooA1 GLU 237 HA -0.10 0.12 0.50 -0.75 4.29 4.05 1pooA1 GLU 237 HB2 -0.01 0.03 -0.01 -0.04 2.09 2.06 1pooA1 GLU 237 HB3 0.00 -0.05 -0.06 -0.04 1.99 1.84 1pooA1 GLU 237 HG2 0.06 -0.03 0.03 -0.04 2.34 2.36 1pooA1 GLU 237 HG3 0.04 0.05 0.01 -0.04 2.34 2.40 1pooA1 PRO 238 HA -0.04 0.10 0.26 -0.51 4.44 4.25 1pooA1 PRO 238 HB2 0.04 0.14 -0.02 -0.04 2.28 2.40 1pooA1 PRO 238 HB3 -0.00 0.01 -0.01 -0.04 2.02 1.97 1pooA1 PRO 238 HG2 0.04 -0.02 0.04 -0.04 2.03 2.06 1pooA1 PRO 238 HG3 0.16 0.06 0.03 -0.04 2.03 2.24 1pooA1 PRO 238 HD2 -0.07 0.02 0.17 -0.04 3.68 3.76 1pooA1 PRO 238 HD3 -0.61 0.18 0.13 -0.04 3.65 3.31 1pooA1 ASP 239 H 0.00 0.06 -0.38 -0.55 8.40 7.53 1pooA1 ASP 239 HA 0.02 0.19 0.61 -0.75 4.63 4.70 1pooA1 ASP 239 HB2 0.02 0.03 0.16 -0.04 2.71 2.88 1pooA1 ASP 239 HB3 0.03 0.02 0.03 -0.04 2.70 2.73 1pooA1 GLY 240 H 0.01 0.43 -0.63 -0.55 8.43 7.69 1pooA1 GLY 240 HA2 0.00 0.07 0.55 -0.51 4.01 4.13 1pooA1 GLY 240 HA3 0.00 0.04 0.22 -0.51 4.01 3.76 1pooA1 GLY 241 H 0.04 0.15 -0.06 -0.55 8.43 8.01 1pooA1 GLY 241 HA2 0.01 0.03 0.27 -0.51 4.01 3.82 1pooA1 GLY 241 HA3 -0.01 0.16 0.72 -0.51 4.01 4.36 1pooA1 SER 242 H -0.10 0.15 0.11 -0.55 8.46 8.07 1pooA1 SER 242 HA -0.84 0.22 0.73 -0.75 4.49 3.85 1pooA1 SER 242 HB2 -0.63 0.02 0.18 -0.04 3.95 3.49 1pooA1 SER 242 HB3 -0.40 0.02 0.02 -0.04 3.93 3.53 1pooA1 ASN 243 H -0.07 0.15 -0.33 -0.55 8.53 7.74 1pooA1 ASN 243 HA -0.11 0.12 0.75 -0.75 4.76 4.76 1pooA1 ASN 243 HB2 -0.06 0.03 0.01 -0.04 2.88 2.83 1pooA1 ASN 243 HB3 -0.06 -0.03 0.05 -0.04 2.79 2.71 1pooA1 ASN 243 HD21 -0.03 0.10 0.10 -0.04 7.03 7.16 1pooA1 ASN 243 HD22 -0.04 -0.02 0.05 -0.04 7.74 7.68 1pooA1 GLY 244 H -0.22 0.22 0.17 -0.55 8.43 8.05 1pooA1 GLY 244 HA2 -0.56 0.38 1.05 -0.51 4.01 4.36 1pooA1 GLY 244 HA3 -1.27 -0.06 0.16 -0.51 4.01 2.34 1pooA1 THR 245 H -0.21 0.53 0.32 -0.55 8.28 8.38 1pooA1 THR 245 HA -0.04 0.13 0.89 -0.75 4.39 4.62 1pooA1 THR 245 HB -0.09 0.02 0.04 -0.04 4.32 4.25 1pooA1 THR 245 HG23 -0.09 0.03 -0.05 -0.04 1.22 1.07 1pooA1 VAL 246 H -0.32 0.12 0.15 -0.55 8.24 7.65 1pooA1 VAL 246 HA -0.72 0.12 0.62 -0.75 4.13 3.40 1pooA1 VAL 246 HB -0.40 0.01 0.09 -0.04 2.12 1.77 1pooA1 VAL 246 HG13 -0.47 -0.00 -0.20 -0.04 0.97 0.27 1pooA1 VAL 246 HG23 -1.42 -0.00 -0.03 -0.04 0.95 -0.54 1pooA1 ILE 247 H -0.30 0.74 0.43 -0.55 8.25 8.57 1pooA1 ILE 247 HA -0.12 0.19 0.69 -0.75 4.18 4.18 1pooA1 ILE 247 HB -0.20 -0.07 0.02 -0.04 1.89 1.60 1pooA1 ILE 247 HG12 -0.04 -0.00 -0.21 -0.04 1.49 1.20 1pooA1 ILE 247 HG13 0.10 -0.04 -0.20 -0.04 1.21 1.03 1pooA1 ILE 247 HG23 -0.34 0.02 -0.12 -0.04 0.93 0.44 1pooA1 ILE 247 HD13 -0.01 0.03 -0.17 -0.04 0.88 0.69 1pooA1 ASP 248 H -0.23 0.19 0.24 -0.55 8.40 8.05 1pooA1 ASP 248 HA -0.07 0.09 0.41 -0.75 4.63 4.31 1pooA1 ASP 248 HB2 0.03 0.23 -0.26 -0.04 2.71 2.67 1pooA1 ASP 248 HB3 0.02 -0.08 -0.11 -0.04 2.70 2.48 1pooA1 ARG 249 H -0.08 0.15 0.18 -0.55 8.46 8.15 1pooA1 ARG 249 HA -0.10 0.23 1.06 -0.75 4.34 4.77 1pooA1 ARG 249 HB2 -0.09 -0.05 0.09 -0.04 1.90 1.81 1pooA1 ARG 249 HB3 -0.07 0.11 0.08 -0.04 1.80 1.87 1pooA1 ARG 249 HG2 -0.16 0.05 -0.05 -0.04 1.67 1.46 1pooA1 ARG 249 HG3 -0.15 -0.07 -0.10 -0.04 1.67 1.31 1pooA1 ARG 249 HD2 -0.09 -0.00 -0.01 -0.04 3.22 3.08 1pooA1 ARG 249 HD3 -0.07 0.04 -0.01 -0.04 3.22 3.14 1pooA1 ALA 250 H -0.02 0.75 0.15 -0.55 8.40 8.73 1pooA1 ALA 250 HA 0.00 0.01 0.41 -0.75 4.34 4.01 1pooA1 ALA 250 HB3 0.02 0.04 -0.12 -0.04 1.41 1.30 1pooA1 ASP 251 H -0.05 0.32 -0.28 -0.55 8.40 7.85 1pooA1 ASP 251 HA -0.03 0.22 0.65 -0.75 4.63 4.71 1pooA1 ASP 251 HB2 -0.07 0.05 0.15 -0.04 2.71 2.80 1pooA1 ASP 251 HB3 -0.06 0.00 0.01 -0.04 2.70 2.61 1pooA1 GLY 252 H -0.03 0.54 -0.05 -0.55 8.43 8.35 1pooA1 GLY 252 HA2 -0.02 0.01 0.21 -0.51 4.01 3.69 1pooA1 GLY 252 HA3 -0.03 0.16 0.65 -0.51 4.01 4.28 1pooA1 ARG 253 H -0.10 -0.07 -0.37 -0.55 8.46 7.36 1pooA1 ARG 253 HA -0.07 0.17 0.43 -0.75 4.34 4.12 1pooA1 ARG 253 HB2 -0.31 -0.15 0.11 -0.04 1.90 1.51 1pooA1 ARG 253 HB3 -0.51 0.06 -0.09 -0.04 1.80 1.22 1pooA1 ARG 253 HG2 -0.11 0.06 -0.10 -0.04 1.67 1.47 1pooA1 ARG 253 HG3 -0.18 -0.02 -0.01 -0.04 1.67 1.41 1pooA1 ARG 253 HD2 -0.08 0.04 -0.02 -0.04 3.22 3.12 1pooA1 ARG 253 HD3 -0.09 0.00 -0.03 -0.04 3.22 3.07 1pooA1 HIS 254 H -0.14 -0.08 0.10 -0.55 8.41 7.75 1pooA1 HIS 254 HA -0.08 0.25 0.79 -0.75 4.63 4.83 1pooA1 HIS 254 HB2 -0.01 -0.03 0.03 -0.04 3.26 3.21 1pooA1 HIS 254 HB3 -0.04 0.01 -0.03 -0.04 3.20 3.10 1pooA1 HIS 254 HD2 -0.44 0.22 -0.34 -0.04 6.97 6.36 1pooA1 HIS 254 HE1 -0.27 0.03 -0.00 -0.04 7.75 7.46 1pooA1 LEU 255 H 0.03 -0.04 0.10 -0.55 8.37 7.92 1pooA1 LEU 255 HA 0.05 0.21 0.79 -0.75 4.35 4.64 1pooA1 LEU 255 HB2 0.05 0.02 -0.10 -0.04 1.64 1.57 1pooA1 LEU 255 HB3 0.06 0.03 -0.20 -0.04 1.64 1.49 1pooA1 LEU 255 HG 0.24 -0.07 -0.36 -0.04 1.64 1.41 1pooA1 LEU 255 HD13 0.08 0.02 -0.37 -0.04 0.93 0.62 1pooA1 LEU 255 HD23 0.18 0.03 -0.23 -0.04 0.89 0.84 1pooA1 THR 256 H -0.00 0.21 -0.02 -0.55 8.28 7.93 1pooA1 THR 256 HA -0.01 0.18 0.69 -0.75 4.39 4.50 1pooA1 THR 256 HB -0.03 -0.16 -0.05 -0.04 4.32 4.04 1pooA1 THR 256 HG23 -0.02 0.07 -0.16 -0.04 1.22 1.07 1pooA1 PRO 257 HA 0.03 0.01 0.28 -0.51 4.44 4.25 1pooA1 PRO 257 HB2 0.02 0.00 -0.00 -0.04 2.28 2.25 1pooA1 PRO 257 HB3 0.03 -0.00 0.18 -0.04 2.02 2.19 1pooA1 PRO 257 HG2 0.01 0.07 0.12 -0.04 2.03 2.19 1pooA1 PRO 257 HG3 0.01 0.09 0.13 -0.04 2.03 2.22 1pooA1 PRO 257 HD2 -0.00 0.11 0.09 -0.04 3.68 3.84 1pooA1 PRO 257 HD3 -0.00 0.14 0.12 -0.04 3.65 3.87 1pooA1 ASP 258 H 0.02 0.06 0.06 -0.55 8.40 7.99 1pooA1 ASP 258 HA 0.04 0.22 0.31 -0.75 4.63 4.45 1pooA1 ASP 258 HB2 0.04 0.01 -0.04 -0.04 2.71 2.68 1pooA1 ASP 258 HB3 0.07 0.03 -0.13 -0.04 2.70 2.63 1pooA1 ILE 259 H 0.07 0.31 0.24 -0.55 8.25 8.31 1pooA1 ILE 259 HA 0.05 0.16 0.69 -0.75 4.18 4.32 1pooA1 ILE 259 HB 0.09 -0.10 -0.04 -0.04 1.89 1.81 1pooA1 ILE 259 HG12 0.07 0.30 -0.04 -0.04 1.49 1.78 1pooA1 ILE 259 HG13 0.07 -0.01 -0.30 -0.04 1.21 0.93 1pooA1 ILE 259 HG23 0.08 0.02 -0.19 -0.04 0.93 0.80 1pooA1 ILE 259 HD13 0.05 -0.02 -0.35 -0.04 0.88 0.52 1pooA1 GLU 260 H 0.05 0.55 0.27 -0.55 8.60 8.92 1pooA1 GLU 260 HA 0.07 0.07 0.96 -0.75 4.29 4.63 1pooA1 GLU 260 HB2 0.05 0.19 0.37 -0.04 2.09 2.65 1pooA1 GLU 260 HB3 0.05 -0.06 0.31 -0.04 1.99 2.24 1pooA1 GLU 260 HG2 0.04 -0.02 -0.16 -0.04 2.34 2.16 1pooA1 GLU 260 HG3 0.04 0.07 0.04 -0.04 2.34 2.45 1pooA1 GLY 261 H 0.07 0.63 0.31 -0.55 8.43 8.89 1pooA1 GLY 261 HA2 0.09 -0.05 0.43 -0.51 4.01 3.96 1pooA1 GLY 261 HA3 0.11 0.05 0.50 -0.51 4.01 4.15 1pooA1 LEU 262 H 0.11 0.28 0.32 -0.55 8.37 8.54 1pooA1 LEU 262 HA 0.14 0.34 0.89 -0.75 4.35 4.97 1pooA1 LEU 262 HB2 0.12 -0.17 -0.18 -0.04 1.64 1.37 1pooA1 LEU 262 HB3 0.12 -0.03 -0.24 -0.04 1.64 1.45 1pooA1 LEU 262 HG 0.08 0.03 -0.12 -0.04 1.64 1.59 1pooA1 LEU 262 HD13 0.11 0.04 -0.10 -0.04 0.93 0.95 1pooA1 LEU 262 HD23 0.17 -0.00 -0.43 -0.04 0.89 0.58 1pooA1 THR 263 H 0.13 0.57 0.28 -0.55 8.28 8.71 1pooA1 THR 263 HA 0.13 0.08 0.58 -0.75 4.39 4.43 1pooA1 THR 263 HB 0.14 0.31 -0.18 -0.04 4.32 4.54 1pooA1 THR 263 HG23 0.25 -0.02 -0.33 -0.04 1.22 1.08 1pooA1 ILE 264 H 0.11 0.19 0.20 -0.55 8.25 8.20 1pooA1 ILE 264 HA -0.01 0.34 1.26 -0.75 4.18 5.02 1pooA1 ILE 264 HB -0.09 -0.04 0.09 -0.04 1.89 1.81 1pooA1 ILE 264 HG12 -0.15 0.11 -0.13 -0.04 1.49 1.28 1pooA1 ILE 264 HG13 0.01 -0.12 -0.42 -0.04 1.21 0.65 1pooA1 ILE 264 HG23 -0.59 -0.00 -0.24 -0.04 0.93 0.06 1pooA1 ILE 264 HD13 0.19 -0.00 -0.32 -0.04 0.88 0.71 1pooA1 TYR 265 H 0.09 0.77 0.31 -0.55 8.29 8.91 1pooA1 TYR 265 HA -0.07 0.07 0.79 -0.75 4.56 4.60 1pooA1 TYR 265 HB2 -0.29 0.01 -0.04 -0.04 3.06 2.70 1pooA1 TYR 265 HB3 0.01 -0.06 0.15 -0.04 2.98 3.04 1pooA1 TYR 265 HD2 -0.47 -0.13 -0.19 -0.04 7.15 6.31 1pooA1 TYR 265 HE2 -0.31 0.00 -0.13 -0.04 6.85 6.38 1pooA1 TYR 266 H -0.24 0.14 0.16 -0.55 8.29 7.79 1pooA1 TYR 266 HA -0.10 0.20 0.95 -0.75 4.56 4.86 1pooA1 TYR 266 HB2 -0.18 -0.01 0.18 -0.04 3.06 3.01 1pooA1 TYR 266 HB3 -0.09 0.08 0.03 -0.04 2.98 2.96 1pooA1 TYR 266 HD2 -0.03 0.03 0.03 -0.04 7.15 7.14 1pooA1 TYR 266 HE2 0.08 -0.09 0.08 -0.04 6.85 6.88 1pooA1 ALA 267 H -0.00 0.62 0.25 -0.55 8.40 8.72 1pooA1 ALA 267 HA 0.12 0.12 0.76 -0.75 4.34 4.59 1pooA1 ALA 267 HB3 0.24 -0.05 -0.18 -0.04 1.41 1.38 1pooA1 ALA 268 H 0.18 0.10 0.13 -0.55 8.40 8.27 1pooA1 ALA 268 HA 0.07 0.07 0.50 -0.75 4.34 4.24 1pooA1 ALA 268 HB3 0.10 0.10 0.17 -0.04 1.41 1.74 1pooA1 ASP 269 H 0.05 0.15 0.17 -0.55 8.40 8.21 1pooA1 ASP 269 HA 0.03 0.04 0.37 -0.75 4.63 4.32 1pooA1 ASP 269 HB2 0.06 0.10 -0.17 -0.04 2.71 2.67 1pooA1 ASP 269 HB3 0.05 0.03 0.16 -0.04 2.70 2.90 1pooA1 GLY 270 H 0.05 0.10 -0.08 -0.55 8.43 7.96 1pooA1 GLY 270 HA2 0.12 -0.04 0.28 -0.51 4.01 3.86 1pooA1 GLY 270 HA3 0.15 0.07 0.36 -0.51 4.01 4.08 1pooA1 LYS 271 H 0.07 0.38 -0.60 -0.55 8.42 7.72 1pooA1 LYS 271 HA -0.01 0.08 0.78 -0.75 4.32 4.41 1pooA1 LYS 271 HB2 0.04 0.23 -0.00 -0.04 1.87 2.10 1pooA1 LYS 271 HB3 -0.11 -0.08 0.07 -0.04 1.79 1.63 1pooA1 LYS 271 HG2 -0.04 -0.02 0.04 -0.04 1.46 1.40 1pooA1 LYS 271 HG3 -0.01 -0.02 0.00 -0.04 1.46 1.39 1pooA1 LYS 271 HD2 0.03 -0.03 -0.01 -0.04 1.69 1.64 1pooA1 LYS 271 HD3 0.05 0.20 -0.03 -0.04 1.68 1.86 1pooA1 LYS 271 HE2 0.06 -0.03 -0.01 -0.04 2.99 2.97 1pooA1 LYS 271 HE3 0.06 -0.02 -0.01 -0.04 2.99 2.97 1pooA1 GLY 272 H -0.33 0.24 0.27 -0.55 8.43 8.07 1pooA1 GLY 272 HA2 -0.17 -0.02 0.26 -0.51 4.01 3.56 1pooA1 GLY 272 HA3 -0.12 0.30 0.82 -0.51 4.01 4.50 1pooA1 TYR 273 H 0.10 0.44 0.32 -0.55 8.29 8.61 1pooA1 TYR 273 HA 0.00 0.27 0.98 -0.75 4.56 5.06 1pooA1 TYR 273 HB2 0.11 -0.12 -0.08 -0.04 3.06 2.93 1pooA1 TYR 273 HB3 0.07 0.11 -0.02 -0.04 2.98 3.10 1pooA1 TYR 273 HD2 -0.10 0.04 -0.15 -0.04 7.15 6.90 1pooA1 TYR 273 HE2 -0.44 0.01 -0.14 -0.04 6.85 6.24 1pooA1 LEU 274 H 0.18 0.69 0.10 -0.55 8.37 8.79 1pooA1 LEU 274 HA -0.02 0.15 0.87 -0.75 4.35 4.59 1pooA1 LEU 274 HB2 -0.29 0.03 -0.13 -0.04 1.64 1.21 1pooA1 LEU 274 HB3 0.03 0.01 -0.00 -0.04 1.64 1.64 1pooA1 LEU 274 HG -0.02 0.01 -0.40 -0.04 1.64 1.18 1pooA1 LEU 274 HD13 -0.41 0.01 -0.12 -0.04 0.93 0.38 1pooA1 LEU 274 HD23 -0.45 0.00 -0.15 -0.04 0.89 0.24 1pooA1 LEU 275 H 0.16 0.63 0.26 -0.55 8.37 8.87 1pooA1 LEU 275 HA 0.23 0.34 0.92 -0.75 4.35 5.09 1pooA1 LEU 275 HB2 0.32 -0.07 0.00 -0.04 1.64 1.86 1pooA1 LEU 275 HB3 0.39 0.03 -0.17 -0.04 1.64 1.86 1pooA1 LEU 275 HG 0.47 -0.05 -0.20 -0.04 1.64 1.82 1pooA1 LEU 275 HD13 0.23 0.03 -0.18 -0.04 0.93 0.97 1pooA1 LEU 275 HD23 0.30 -0.02 -0.33 -0.04 0.89 0.80 1pooA1 ALA 276 H 0.23 0.68 0.29 -0.55 8.40 9.05 1pooA1 ALA 276 HA 0.17 0.29 0.98 -0.75 4.34 5.03 1pooA1 ALA 276 HB3 0.20 -0.02 -0.11 -0.04 1.41 1.44 1pooA1 SER 277 H 0.13 0.66 0.09 -0.55 8.46 8.80 1pooA1 SER 277 HA -0.01 0.17 0.80 -0.75 4.49 4.69 1pooA1 SER 277 HB2 0.19 -0.01 -0.06 -0.04 3.95 4.03 1pooA1 SER 277 HB3 0.08 -0.13 0.18 -0.04 3.93 4.02 1pooA1 SER 278 H -0.17 0.47 0.16 -0.55 8.46 8.37 1pooA1 SER 278 HA -0.02 0.09 0.64 -0.75 4.49 4.45 1pooA1 SER 278 HB2 -0.01 0.04 0.05 -0.04 3.95 3.99 1pooA1 SER 278 HB3 -0.13 0.04 -0.01 -0.04 3.93 3.79 1pooA1 GLN 279 H -0.04 0.47 0.06 -0.55 8.47 8.42 1pooA1 GLN 279 HA -0.11 -0.09 0.37 -0.75 4.36 3.78 1pooA1 GLN 279 HB2 -0.02 0.10 0.11 -0.04 2.15 2.30 1pooA1 GLN 279 HB3 -0.00 0.08 0.05 -0.04 2.02 2.10 1pooA1 GLN 279 HG2 -0.03 -0.10 0.06 -0.04 2.40 2.30 1pooA1 GLN 279 HG3 -0.02 0.05 -0.28 -0.04 2.39 2.09 1pooA1 GLN 279 HE21 0.03 -0.03 -0.06 -0.04 6.97 6.87 1pooA1 GLN 279 HE22 0.01 -0.00 -0.12 -0.04 7.69 7.54 1pooA1 GLY 280 H -0.03 0.42 -0.38 -0.55 8.43 7.90 1pooA1 GLY 280 HA2 -0.02 0.02 0.34 -0.51 4.01 3.84 1pooA1 GLY 280 HA3 -0.02 0.15 -0.05 -0.51 4.01 3.58 1pooA1 ASN 281 H -0.07 0.25 -0.28 -0.55 8.53 7.88 1pooA1 ASN 281 HA -0.05 0.20 0.80 -0.75 4.76 4.96 1pooA1 ASN 281 HB2 -0.07 0.02 0.10 -0.04 2.88 2.89 1pooA1 ASN 281 HB3 -0.05 0.02 -0.15 -0.04 2.79 2.57 1pooA1 ASN 281 HD21 -0.05 0.02 -0.17 -0.04 7.03 6.78 1pooA1 ASN 281 HD22 -0.07 0.03 -0.09 -0.04 7.74 7.57 1pooA1 SER 282 H -0.10 0.29 -0.20 -0.55 8.46 7.91 1pooA1 SER 282 HA -0.18 -0.08 0.35 -0.75 4.49 3.83 1pooA1 SER 282 HB2 -0.07 0.13 -0.09 -0.04 3.95 3.88 1pooA1 SER 282 HB3 -0.06 0.10 0.30 -0.04 3.93 4.23 1pooA1 SER 283 H -0.26 0.33 -0.14 -0.55 8.46 7.84 1pooA1 SER 283 HA -0.31 0.27 0.96 -0.75 4.49 4.65 1pooA1 SER 283 HB2 -0.15 0.13 -0.11 -0.04 3.95 3.79 1pooA1 SER 283 HB3 -0.15 -0.09 -0.04 -0.04 3.93 3.61 1pooA1 TYR 284 H -0.36 0.43 0.34 -0.55 8.29 8.15 1pooA1 TYR 284 HA -0.15 0.13 1.10 -0.75 4.56 4.88 1pooA1 TYR 284 HB2 -1.64 -0.07 0.06 -0.04 3.06 1.36 1pooA1 TYR 284 HB3 -0.33 0.03 -0.07 -0.04 2.98 2.57 1pooA1 TYR 284 HD2 -0.34 0.11 -0.21 -0.04 7.15 6.67 1pooA1 TYR 284 HE2 0.05 -0.05 -0.15 -0.04 6.85 6.65 1pooA1 ALA 285 H 0.06 0.36 0.27 -0.55 8.40 8.53 1pooA1 ALA 285 HA -0.01 0.19 0.95 -0.75 4.34 4.72 1pooA1 ALA 285 HB3 0.11 0.02 0.01 -0.04 1.41 1.51 1pooA1 ILE 286 H -0.24 0.63 0.46 -0.55 8.25 8.56 1pooA1 ILE 286 HA 0.07 0.24 1.10 -0.75 4.18 4.84 1pooA1 ILE 286 HB -0.18 -0.12 0.19 -0.04 1.89 1.74 1pooA1 ILE 286 HG12 0.15 -0.02 -0.24 -0.04 1.49 1.34 1pooA1 ILE 286 HG13 0.11 0.06 -0.30 -0.04 1.21 1.03 1pooA1 ILE 286 HG23 -0.11 -0.00 -0.16 -0.04 0.93 0.61 1pooA1 ILE 286 HD13 0.01 -0.01 -0.21 -0.04 0.88 0.63 1pooA1 TYR 287 H 0.23 0.51 0.32 -0.55 8.29 8.80 1pooA1 TYR 287 HA 0.02 0.21 0.93 -0.75 4.56 4.97 1pooA1 TYR 287 HB2 -0.01 -0.06 -0.03 -0.04 3.06 2.92 1pooA1 TYR 287 HB3 0.02 0.15 -0.14 -0.04 2.98 2.97 1pooA1 TYR 287 HD2 0.07 0.21 -0.22 -0.04 7.15 7.17 1pooA1 TYR 287 HE2 0.14 -0.04 -0.15 -0.04 6.85 6.76 1pooA1 GLU 288 H 0.14 0.41 0.02 -0.55 8.60 8.62 1pooA1 GLU 288 HA 0.02 0.16 0.70 -0.75 4.29 4.41 1pooA1 GLU 288 HB2 0.01 -0.07 0.08 -0.04 2.09 2.07 1pooA1 GLU 288 HB3 -0.05 -0.11 0.14 -0.04 1.99 1.94 1pooA1 GLU 288 HG2 0.03 0.01 -0.02 -0.04 2.34 2.32 1pooA1 GLU 288 HG3 0.04 0.26 0.01 -0.04 2.34 2.61 1pooA1 ARG 289 H -0.15 0.32 0.14 -0.55 8.46 8.22 1pooA1 ARG 289 HA -0.10 0.07 0.38 -0.75 4.34 3.94 1pooA1 ARG 289 HB2 -0.16 -0.06 -0.37 -0.04 1.90 1.27 1pooA1 ARG 289 HB3 -0.08 0.09 -0.15 -0.04 1.80 1.62 1pooA1 ARG 289 HG2 -0.12 -0.01 -0.18 -0.04 1.67 1.31 1pooA1 ARG 289 HG3 -0.18 0.09 -0.17 -0.04 1.67 1.37 1pooA1 ARG 289 HD2 0.05 0.03 -0.24 -0.04 3.22 3.03 1pooA1 ARG 289 HD3 -0.02 -0.14 -0.14 -0.04 3.22 2.88 1pooA1 GLN 290 H -0.11 -0.03 0.08 -0.55 8.47 7.87 1pooA1 GLN 290 HA -0.33 0.12 0.35 -0.75 4.36 3.75 1pooA1 GLN 290 HB2 -0.05 -0.03 -0.07 -0.04 2.15 1.95 1pooA1 GLN 290 HB3 -0.06 0.02 0.12 -0.04 2.02 2.05 1pooA1 GLN 290 HG2 0.00 0.05 0.01 -0.04 2.40 2.42 1pooA1 GLN 290 HG3 -0.01 0.35 0.22 -0.04 2.39 2.91 1pooA1 GLN 290 HE21 -0.09 0.03 0.08 -0.04 6.97 6.96 1pooA1 GLN 290 HE22 -0.04 0.05 0.02 -0.04 7.69 7.67 1pooA1 GLY 291 H -0.15 0.12 0.13 -0.55 8.43 7.99 1pooA1 GLY 291 HA2 -0.06 0.06 0.34 -0.51 4.01 3.85 1pooA1 GLY 291 HA3 -0.04 -0.05 0.38 -0.51 4.01 3.80 1pooA1 GLN 292 H -0.01 0.10 0.14 -0.55 8.47 8.15 1pooA1 GLN 292 HA -0.01 0.17 0.51 -0.75 4.36 4.28 1pooA1 GLN 292 HB2 0.01 -0.03 0.04 -0.04 2.15 2.13 1pooA1 GLN 292 HB3 0.00 0.06 0.13 -0.04 2.02 2.17 1pooA1 GLN 292 HG2 -0.01 -0.07 0.04 -0.04 2.40 2.32 1pooA1 GLN 292 HG3 -0.00 0.02 0.02 -0.04 2.39 2.38 1pooA1 GLN 292 HE21 -0.02 0.04 -0.12 -0.04 6.97 6.83 1pooA1 GLN 292 HE22 -0.02 -0.08 -0.12 -0.04 7.69 7.44 1pooA1 ASN 293 H 0.00 0.33 -0.52 -0.55 8.53 7.79 1pooA1 ASN 293 HA 0.05 0.07 0.18 -0.75 4.76 4.30 1pooA1 ASN 293 HB2 0.02 0.08 -0.13 -0.04 2.88 2.82 1pooA1 ASN 293 HB3 0.01 -0.05 0.05 -0.04 2.79 2.75 1pooA1 ASN 293 HD21 0.10 0.03 -0.11 -0.04 7.03 7.00 1pooA1 ASN 293 HD22 -0.03 0.45 -0.04 -0.04 7.74 8.08 1pooA1 LYS 294 H 0.06 -0.01 -0.08 -0.55 8.42 7.84 1pooA1 LYS 294 HA 0.16 0.14 0.51 -0.75 4.32 4.37 1pooA1 LYS 294 HB2 0.05 -0.05 0.04 -0.04 1.87 1.87 1pooA1 LYS 294 HB3 0.08 0.13 0.06 -0.04 1.79 2.02 1pooA1 LYS 294 HG2 0.04 -0.12 -0.11 -0.04 1.46 1.24 1pooA1 LYS 294 HG3 0.03 -0.01 0.00 -0.04 1.46 1.45 1pooA1 LYS 294 HD2 0.05 0.01 0.02 -0.04 1.69 1.74 1pooA1 LYS 294 HD3 0.09 0.04 0.04 -0.04 1.68 1.81 1pooA1 LYS 294 HE2 0.03 0.00 0.00 -0.04 2.99 2.99 1pooA1 LYS 294 HE3 0.03 0.09 -0.06 -0.04 2.99 3.01 1pooA1 TYR 295 H 0.25 0.09 0.19 -0.55 8.29 8.27 1pooA1 TYR 295 HA -0.39 0.10 0.63 -0.75 4.56 4.15 1pooA1 TYR 295 HB2 -0.20 -0.02 0.12 -0.04 3.06 2.92 1pooA1 TYR 295 HB3 -0.10 -0.03 0.16 -0.04 2.98 2.97 1pooA1 TYR 295 HD2 -0.51 -0.01 -0.10 -0.04 7.15 6.50 1pooA1 TYR 295 HE2 -0.25 0.02 -0.07 -0.04 6.85 6.52 1pooA1 VAL 296 H -0.64 0.69 0.43 -0.55 8.24 8.17 1pooA1 VAL 296 HA -0.27 0.18 0.89 -0.75 4.13 4.17 1pooA1 VAL 296 HB -0.24 -0.06 0.04 -0.04 2.12 1.82 1pooA1 VAL 296 HG13 -0.16 -0.01 -0.09 -0.04 0.97 0.67 1pooA1 VAL 296 HG23 0.02 -0.00 -0.21 -0.04 0.95 0.72 1pooA1 ALA 297 H -0.63 0.26 0.37 -0.55 8.40 7.86 1pooA1 ALA 297 HA -0.43 0.13 0.69 -0.75 4.34 3.96 1pooA1 ALA 297 HB3 0.20 0.04 -0.05 -0.04 1.41 1.56 1pooA1 ASP 298 H 0.02 0.64 0.46 -0.55 8.40 8.97 1pooA1 ASP 298 HA -0.05 0.28 0.96 -0.75 4.63 5.06 1pooA1 ASP 298 HB2 0.00 -0.02 0.05 -0.04 2.71 2.69 1pooA1 ASP 298 HB3 0.17 -0.04 -0.03 -0.04 2.70 2.75 1pooA1 PHE 299 H -0.37 0.41 0.38 -0.55 8.34 8.21 1pooA1 PHE 299 HA -0.39 0.23 0.86 -0.75 4.62 4.57 1pooA1 PHE 299 HB2 -0.76 0.01 -0.06 -0.04 3.15 2.29 1pooA1 PHE 299 HB3 -2.07 0.03 -0.31 -0.04 3.06 0.67 1pooA1 PHE 299 HD2 -0.31 0.04 -0.34 -0.04 7.28 6.63 1pooA1 PHE 299 HE2 -0.38 -0.02 -0.26 -0.04 7.38 6.68 1pooA1 PHE 299 HZ -1.30 -0.04 -0.21 -0.04 7.32 5.72 1pooA1 GLN 300 H 0.05 0.42 0.44 -0.55 8.47 8.82 1pooA1 GLN 300 HA 0.08 0.21 0.94 -0.75 4.36 4.83 1pooA1 GLN 300 HB2 0.01 -0.05 0.12 -0.04 2.15 2.19 1pooA1 GLN 300 HB3 0.04 0.03 0.05 -0.04 2.02 2.10 1pooA1 GLN 300 HG2 -0.08 0.35 0.19 -0.04 2.40 2.82 1pooA1 GLN 300 HG3 -0.08 -0.11 -0.17 -0.04 2.39 1.99 1pooA1 GLN 300 HE21 -0.05 -0.11 -0.01 -0.04 6.97 6.76 1pooA1 GLN 300 HE22 -0.06 0.27 0.05 -0.04 7.69 7.91 1pooA1 ILE 301 H 0.23 0.27 0.13 -0.55 8.25 8.33 1pooA1 ILE 301 HA 0.16 0.24 0.85 -0.75 4.18 4.67 1pooA1 ILE 301 HB 0.20 -0.07 0.16 -0.04 1.89 2.14 1pooA1 ILE 301 HG12 0.24 0.02 -0.23 -0.04 1.49 1.48 1pooA1 ILE 301 HG13 0.21 -0.04 -0.23 -0.04 1.21 1.11 1pooA1 ILE 301 HG23 0.12 0.01 -0.16 -0.04 0.93 0.86 1pooA1 ILE 301 HD13 0.20 -0.00 -0.20 -0.04 0.88 0.84 1pooA1 THR 302 H 0.08 0.42 0.17 -0.55 8.28 8.39 1pooA1 THR 302 HA 0.05 0.12 0.95 -0.75 4.39 4.76 1pooA1 THR 302 HB 0.03 -0.06 0.13 -0.04 4.32 4.38 1pooA1 THR 302 HG23 0.03 0.00 -0.08 -0.04 1.22 1.13 1pooA1 ASP 303 H 0.03 0.08 0.16 -0.55 8.40 8.11 1pooA1 ASP 303 HA 0.03 0.04 0.43 -0.75 4.63 4.38 1pooA1 ASP 303 HB2 0.02 -0.01 0.17 -0.04 2.71 2.84 1pooA1 ASP 303 HB3 0.02 0.11 0.04 -0.04 2.70 2.83 1pooA1 GLY 304 H 0.03 0.62 0.33 -0.55 8.43 8.85 1pooA1 GLY 304 HA2 0.02 0.17 0.83 -0.51 4.01 4.51 1pooA1 GLY 304 HA3 0.03 -0.01 0.38 -0.51 4.01 3.90 1pooA1 PRO 305 HA 0.02 0.12 0.54 -0.51 4.44 4.61 1pooA1 PRO 305 HB2 0.02 0.04 0.02 -0.04 2.28 2.32 1pooA1 PRO 305 HB3 0.02 0.01 0.10 -0.04 2.02 2.11 1pooA1 PRO 305 HG2 0.02 0.02 0.14 -0.04 2.03 2.17 1pooA1 PRO 305 HG3 0.01 0.04 0.09 -0.04 2.03 2.14 1pooA1 PRO 305 HD2 0.02 0.12 0.25 -0.04 3.68 4.03 1pooA1 PRO 305 HD3 0.02 0.14 0.17 -0.04 3.65 3.94 1pooA1 GLU 306 H 0.03 0.10 -0.01 -0.55 8.60 8.18 1pooA1 GLU 306 HA 0.02 0.17 0.79 -0.75 4.29 4.51 1pooA1 GLU 306 HB2 0.04 0.15 0.10 -0.04 2.09 2.34 1pooA1 GLU 306 HB3 0.03 -0.07 0.09 -0.04 1.99 2.00 1pooA1 GLU 306 HG2 0.03 -0.18 0.16 -0.04 2.34 2.31 1pooA1 GLU 306 HG3 0.05 0.20 0.14 -0.04 2.34 2.68 1pooA1 THR 307 H 0.02 0.10 -0.17 -0.55 8.28 7.68 1pooA1 THR 307 HA 0.00 0.09 0.60 -0.75 4.39 4.33 1pooA1 THR 307 HB 0.04 -0.01 -0.42 -0.04 4.32 3.89 1pooA1 THR 307 HG23 0.04 -0.03 -0.20 -0.04 1.22 0.99 1pooA1 ASP 308 H 0.00 0.12 0.11 -0.55 8.40 8.09 1pooA1 ASP 308 HA 0.02 0.03 0.69 -0.75 4.63 4.61 1pooA1 ASP 308 HB2 0.01 -0.08 0.19 -0.04 2.71 2.79 1pooA1 ASP 308 HB3 -0.00 0.04 0.16 -0.04 2.70 2.86 1pooA1 GLY 309 H 0.02 -0.00 0.06 -0.55 8.43 7.97 1pooA1 GLY 309 HA2 0.06 0.16 0.11 -0.51 4.01 3.83 1pooA1 GLY 309 HA3 0.04 -0.02 0.31 -0.51 4.01 3.83 1pooA1 THR 310 H 0.09 0.57 0.31 -0.55 8.28 8.70 1pooA1 THR 310 HA 0.05 0.17 0.93 -0.75 4.39 4.79 1pooA1 THR 310 HB 0.14 0.01 -0.03 -0.04 4.32 4.39 1pooA1 THR 310 HG23 0.11 0.00 -0.22 -0.04 1.22 1.07 1pooA1 SER 311 H 0.02 0.10 0.20 -0.55 8.46 8.24 1pooA1 SER 311 HA -0.01 0.20 0.82 -0.75 4.49 4.74 1pooA1 SER 311 HB2 -0.01 0.05 0.04 -0.04 3.95 3.99 1pooA1 SER 311 HB3 -0.00 0.12 -0.11 -0.04 3.93 3.90 1pooA1 ASP 312 H -0.04 0.20 0.18 -0.55 8.40 8.19 1pooA1 ASP 312 HA -0.03 0.17 0.40 -0.75 4.63 4.40 1pooA1 ASP 312 HB2 -0.01 0.02 -0.06 -0.04 2.71 2.62 1pooA1 ASP 312 HB3 -0.01 0.03 0.16 -0.04 2.70 2.84 1pooA1 THR 313 H -0.04 0.02 -0.21 -0.55 8.28 7.50 1pooA1 THR 313 HA 0.02 0.09 0.32 -0.75 4.39 4.06 1pooA1 THR 313 HB 0.02 -0.07 -0.06 -0.04 4.32 4.17 1pooA1 THR 313 HG23 0.21 -0.03 -0.28 -0.04 1.22 1.07 1pooA1 ASP 314 H 0.02 0.11 0.14 -0.55 8.40 8.13 1pooA1 ASP 314 HA 0.04 0.07 0.72 -0.75 4.63 4.71 1pooA1 ASP 314 HB2 0.02 0.09 0.21 -0.04 2.71 2.98 1pooA1 ASP 314 HB3 0.05 -0.01 0.28 -0.04 2.70 2.97 1pooA1 GLY 315 H 0.08 0.36 0.30 -0.55 8.43 8.63 1pooA1 GLY 315 HA2 0.09 0.01 0.70 -0.51 4.01 4.30 1pooA1 GLY 315 HA3 0.13 0.10 0.51 -0.51 4.01 4.25 1pooA1 ILE 316 H 0.09 0.26 0.33 -0.55 8.25 8.39 1pooA1 ILE 316 HA -0.07 0.27 0.83 -0.75 4.18 4.46 1pooA1 ILE 316 HB -0.15 0.03 -0.01 -0.04 1.89 1.73 1pooA1 ILE 316 HG12 0.16 -0.12 -0.19 -0.04 1.49 1.31 1pooA1 ILE 316 HG13 0.15 0.02 -0.39 -0.04 1.21 0.95 1pooA1 ILE 316 HG23 0.23 -0.01 -0.27 -0.04 0.93 0.84 1pooA1 ILE 316 HD13 0.36 0.03 -0.47 -0.04 0.88 0.76 1pooA1 ASP 317 H -0.23 0.55 0.33 -0.55 8.40 8.51 1pooA1 ASP 317 HA 0.07 0.08 0.54 -0.75 4.63 4.57 1pooA1 ASP 317 HB2 0.03 0.20 -0.22 -0.04 2.71 2.67 1pooA1 ASP 317 HB3 -0.00 -0.09 -0.11 -0.04 2.70 2.45 1pooA1 VAL 318 H 0.12 0.26 0.24 -0.55 8.24 8.31 1pooA1 VAL 318 HA 0.16 0.34 1.02 -0.75 4.13 4.90 1pooA1 VAL 318 HB 0.13 -0.01 -0.22 -0.04 2.12 1.98 1pooA1 VAL 318 HG13 0.08 -0.03 -0.10 -0.04 0.97 0.88 1pooA1 VAL 318 HG23 0.33 0.00 -0.31 -0.04 0.95 0.93 1pooA1 LEU 319 H 0.11 0.38 0.13 -0.55 8.37 8.44 1pooA1 LEU 319 HA 0.06 0.12 0.71 -0.75 4.35 4.48 1pooA1 LEU 319 HB2 0.08 0.08 -0.06 -0.04 1.64 1.70 1pooA1 LEU 319 HB3 0.07 -0.04 0.13 -0.04 1.64 1.77 1pooA1 LEU 319 HG 0.11 -0.05 -0.18 -0.04 1.64 1.48 1pooA1 LEU 319 HD13 0.00 0.00 0.06 -0.04 0.93 0.96 1pooA1 LEU 319 HD23 0.04 0.01 -0.11 -0.04 0.89 0.79 1pooA1 GLY 320 H -0.13 0.15 0.10 -0.55 8.43 8.00 1pooA1 GLY 320 HA2 0.12 0.20 0.65 -0.51 4.01 4.46 1pooA1 GLY 320 HA3 -0.37 0.02 0.41 -0.51 4.01 3.56 1pooA1 PHE 321 H 0.17 0.49 -0.19 -0.55 8.34 8.26 1pooA1 PHE 321 HA 0.01 0.12 0.53 -0.75 4.62 4.52 1pooA1 PHE 321 HB2 -0.07 0.09 -0.34 -0.04 3.15 2.79 1pooA1 PHE 321 HB3 -0.05 -0.04 -0.17 -0.04 3.06 2.76 1pooA1 PHE 321 HD2 -0.07 0.05 -0.26 -0.04 7.28 6.96 1pooA1 PHE 321 HE2 -0.07 0.08 -0.09 -0.04 7.38 7.26 1pooA1 PHE 321 HZ -0.07 0.00 -0.02 -0.04 7.32 7.20 1pooA1 GLY 322 H -0.87 0.15 0.07 -0.55 8.43 7.23 1pooA1 GLY 322 HA2 -0.10 0.08 0.45 -0.51 4.01 3.92 1pooA1 GLY 322 HA3 -0.31 0.03 0.39 -0.51 4.01 3.61 1pooA1 LEU 323 H 0.09 0.60 0.29 -0.55 8.37 8.81 1pooA1 LEU 323 HA 0.05 0.17 0.81 -0.75 4.35 4.63 1pooA1 LEU 323 HB2 0.17 -0.01 0.15 -0.04 1.64 1.91 1pooA1 LEU 323 HB3 0.13 0.01 0.20 -0.04 1.64 1.94 1pooA1 LEU 323 HG 0.00 -0.02 -0.05 -0.04 1.64 1.53 1pooA1 LEU 323 HD13 0.04 0.02 -0.10 -0.04 0.93 0.85 1pooA1 LEU 323 HD23 0.07 0.05 -0.03 -0.04 0.89 0.94 1pooA1 GLY 324 H -0.01 0.15 -0.46 -0.55 8.43 7.56 1pooA1 GLY 324 HA2 -0.00 0.04 0.23 -0.51 4.01 3.76 1pooA1 GLY 324 HA3 0.04 0.20 0.77 -0.51 4.01 4.50 1pooA1 PRO 325 HA -0.06 0.10 0.35 -0.51 4.44 4.32 1pooA1 PRO 325 HB2 -0.05 0.07 -0.00 -0.04 2.28 2.26 1pooA1 PRO 325 HB3 -0.04 0.03 0.09 -0.04 2.02 2.05 1pooA1 PRO 325 HG2 -0.03 0.05 0.04 -0.04 2.03 2.04 1pooA1 PRO 325 HG3 -0.02 0.07 0.06 -0.04 2.03 2.09 1pooA1 PRO 325 HD2 -0.00 0.12 0.22 -0.04 3.68 3.97 1pooA1 PRO 325 HD3 -0.02 0.12 0.14 -0.04 3.65 3.86 1pooA1 GLU 326 H -0.09 0.09 -0.36 -0.55 8.60 7.69 1pooA1 GLU 326 HA -0.22 0.13 0.54 -0.75 4.29 3.98 1pooA1 GLU 326 HB2 -1.03 0.05 -0.13 -0.04 2.09 0.94 1pooA1 GLU 326 HB3 -0.34 0.03 0.04 -0.04 1.99 1.68 1pooA1 GLU 326 HG2 -0.07 0.03 -0.02 -0.04 2.34 2.24 1pooA1 GLU 326 HG3 -0.08 -0.09 0.01 -0.04 2.34 2.13 1pooA1 TYR 327 H -0.03 0.19 -0.54 -0.55 8.29 7.37 1pooA1 TYR 327 HA 0.08 0.19 0.84 -0.75 4.56 4.92 1pooA1 TYR 327 HB2 0.05 -0.09 0.11 -0.04 3.06 3.09 1pooA1 TYR 327 HB3 0.11 0.15 0.06 -0.04 2.98 3.27 1pooA1 TYR 327 HD2 0.08 0.05 -0.06 -0.04 7.15 7.18 1pooA1 TYR 327 HE2 0.07 -0.01 -0.13 -0.04 6.85 6.74 1pooA1 PRO 328 HA -0.18 0.07 0.46 -0.51 4.44 4.29 1pooA1 PRO 328 HB2 -0.62 0.01 -0.01 -0.04 2.28 1.62 1pooA1 PRO 328 HB3 -0.19 0.06 0.06 -0.04 2.02 1.90 1pooA1 PRO 328 HG2 0.07 -0.07 0.01 -0.04 2.03 2.00 1pooA1 PRO 328 HG3 -0.00 0.09 0.01 -0.04 2.03 2.08 1pooA1 PRO 328 HD2 0.08 0.15 -0.01 -0.04 3.68 3.86 1pooA1 PRO 328 HD3 -0.04 0.34 -0.27 -0.04 3.65 3.63 1pooA1 PHE 329 H 0.22 0.10 -0.27 -0.55 8.34 7.85 1pooA1 PHE 329 HA 0.11 0.27 0.79 -0.75 4.62 5.04 1pooA1 PHE 329 HB2 0.23 -0.16 0.00 -0.04 3.15 3.18 1pooA1 PHE 329 HB3 0.36 0.01 0.06 -0.04 3.06 3.44 1pooA1 PHE 329 HD2 0.09 -0.02 -0.10 -0.04 7.28 7.22 1pooA1 PHE 329 HE2 0.01 0.05 -0.10 -0.04 7.38 7.31 1pooA1 PHE 329 HZ -0.00 -0.02 -0.03 -0.04 7.32 7.23 1pooA1 GLY 330 H 0.19 0.20 -0.33 -0.55 8.43 7.95 1pooA1 GLY 330 HA2 0.16 0.22 0.47 -0.51 4.01 4.35 1pooA1 GLY 330 HA3 0.22 0.21 0.91 -0.51 4.01 4.84 1pooA1 LEU 331 H 0.17 0.38 0.32 -0.55 8.37 8.69 1pooA1 LEU 331 HA 0.33 0.03 0.61 -0.75 4.35 4.56 1pooA1 LEU 331 HB2 0.01 0.06 -0.04 -0.04 1.64 1.62 1pooA1 LEU 331 HB3 -0.13 0.06 -0.36 -0.04 1.64 1.17 1pooA1 LEU 331 HG -0.08 0.02 -0.37 -0.04 1.64 1.17 1pooA1 LEU 331 HD13 -0.66 0.00 -0.17 -0.04 0.93 0.05 1pooA1 LEU 331 HD23 -0.04 -0.02 -0.12 -0.04 0.89 0.67 1pooA1 PHE 332 H 0.38 0.64 0.27 -0.55 8.34 9.08 1pooA1 PHE 332 HA 0.18 0.19 0.93 -0.75 4.62 5.16 1pooA1 PHE 332 HB2 0.46 -0.05 -0.03 -0.04 3.15 3.49 1pooA1 PHE 332 HB3 0.21 -0.02 0.09 -0.04 3.06 3.30 1pooA1 PHE 332 HD2 0.17 -0.06 -0.20 -0.04 7.28 7.15 1pooA1 PHE 332 HE2 -0.20 -0.03 -0.24 -0.04 7.38 6.86 1pooA1 PHE 332 HZ -0.23 -0.00 -0.22 -0.04 7.32 6.83 1pooA1 VAL 333 H -0.30 0.71 0.33 -0.55 8.24 8.44 1pooA1 VAL 333 HA -0.07 0.40 1.09 -0.75 4.13 4.80 1pooA1 VAL 333 HB -0.11 -0.08 -0.03 -0.04 2.12 1.87 1pooA1 VAL 333 HG13 -0.03 0.01 -0.22 -0.04 0.97 0.68 1pooA1 VAL 333 HG23 -0.06 -0.00 -0.28 -0.04 0.95 0.57 1pooA1 ALA 334 H 0.01 0.50 0.26 -0.55 8.40 8.62 1pooA1 ALA 334 HA -0.03 0.24 0.96 -0.75 4.34 4.76 1pooA1 ALA 334 HB3 -0.02 0.00 -0.12 -0.04 1.41 1.24 1pooA1 GLN 335 H 0.10 0.60 0.28 -0.55 8.47 8.91 1pooA1 GLN 335 HA -0.48 0.11 0.60 -0.75 4.36 3.83 1pooA1 GLN 335 HB2 -0.01 0.20 0.21 -0.04 2.15 2.51 1pooA1 GLN 335 HB3 -0.02 -0.34 0.21 -0.04 2.02 1.82 1pooA1 GLN 335 HG2 -0.50 0.05 0.01 -0.04 2.40 1.92 1pooA1 GLN 335 HG3 -0.26 0.01 -0.28 -0.04 2.39 1.82 1pooA1 GLN 335 HE21 -0.06 -0.02 -0.09 -0.04 6.97 6.76 1pooA1 GLN 335 HE22 -0.14 -0.02 -0.07 -0.04 7.69 7.41 1pooA1 ASP 336 H -0.29 0.60 0.34 -0.55 8.40 8.50 1pooA1 ASP 336 HA -0.01 0.09 0.94 -0.75 4.63 4.89 1pooA1 ASP 336 HB2 -0.02 0.05 -0.14 -0.04 2.71 2.56 1pooA1 ASP 336 HB3 -0.08 -0.06 -0.00 -0.04 2.70 2.52 1pooA1 GLY 337 H -0.02 0.64 0.20 -0.55 8.43 8.70 1pooA1 GLY 337 HA2 -0.04 0.05 0.55 -0.51 4.01 4.06 1pooA1 GLY 337 HA3 -0.02 0.10 0.31 -0.51 4.01 3.89 1pooA1 GLU 338 H -0.01 0.04 -0.11 -0.55 8.60 7.97 1pooA1 GLU 338 HA -0.01 0.25 0.91 -0.75 4.29 4.69 1pooA1 GLU 338 HB2 -0.00 -0.06 0.07 -0.04 2.09 2.06 1pooA1 GLU 338 HB3 -0.00 0.04 -0.03 -0.04 1.99 1.95 1pooA1 GLU 338 HG2 -0.00 0.01 -0.07 -0.04 2.34 2.24 1pooA1 GLU 338 HG3 -0.01 0.12 -0.18 -0.04 2.34 2.23 1pooA1 ASN 339 H -0.02 0.26 -0.18 -0.55 8.53 8.04 1pooA1 ASN 339 HA -0.01 0.08 0.55 -0.75 4.76 4.62 1pooA1 ASN 339 HB2 -0.03 -0.11 -0.09 -0.04 2.88 2.61 1pooA1 ASN 339 HB3 -0.01 0.21 -0.24 -0.04 2.79 2.70 1pooA1 ASN 339 HD21 -0.00 -0.05 -0.17 -0.04 7.03 6.77 1pooA1 ASN 339 HD22 0.00 0.29 -0.19 -0.04 7.74 7.79 1pooA1 ILE 340 H -0.01 0.21 0.10 -0.55 8.25 8.00 1pooA1 ILE 340 HA 0.00 0.22 0.94 -0.75 4.18 4.59 1pooA1 ILE 340 HB -0.00 -0.05 0.10 -0.04 1.89 1.90 1pooA1 ILE 340 HG12 0.01 -0.02 -0.14 -0.04 1.49 1.29 1pooA1 ILE 340 HG13 0.01 0.06 -0.20 -0.04 1.21 1.03 1pooA1 ILE 340 HG23 0.00 -0.00 -0.32 -0.04 0.93 0.57 1pooA1 ILE 340 HD13 0.00 -0.02 -0.47 -0.04 0.88 0.35 1pooA1 ASP 341 H 0.00 0.44 0.05 -0.55 8.40 8.34 1pooA1 ASP 341 HA -0.12 0.13 0.94 -0.75 4.63 4.82 1pooA1 ASP 341 HB2 0.01 0.01 -0.00 -0.04 2.71 2.69 1pooA1 ASP 341 HB3 -0.03 0.01 -0.09 -0.04 2.70 2.55 1pooA1 HIS 342 H -0.26 0.21 0.10 -0.55 8.41 7.93 1pooA1 HIS 342 HA 0.02 0.06 0.31 -0.75 4.63 4.26 1pooA1 HIS 342 HB2 0.01 0.13 -0.06 -0.04 3.26 3.30 1pooA1 HIS 342 HB3 0.01 0.01 0.20 -0.04 3.20 3.38 1pooA1 HIS 342 HD2 0.02 0.02 -0.13 -0.04 6.97 6.83 1pooA1 HIS 342 HE1 0.02 0.03 0.01 -0.04 7.75 7.77 1pooA1 GLY 343 H 0.03 0.10 -0.43 -0.55 8.43 7.57 1pooA1 GLY 343 HA2 0.03 -0.02 0.21 -0.51 4.01 3.72 1pooA1 GLY 343 HA3 0.04 0.11 0.47 -0.51 4.01 4.13 1pooA1 GLN 344 H 0.06 0.47 -0.69 -0.55 8.47 7.77 1pooA1 GLN 344 HA 0.03 0.09 0.63 -0.75 4.36 4.35 1pooA1 GLN 344 HB2 0.05 0.09 -0.03 -0.04 2.15 2.22 1pooA1 GLN 344 HB3 0.03 -0.03 0.06 -0.04 2.02 2.04 1pooA1 GLN 344 HG2 0.07 0.14 -0.07 -0.04 2.40 2.49 1pooA1 GLN 344 HG3 0.05 -0.04 -0.01 -0.04 2.39 2.36 1pooA1 GLN 344 HE21 0.02 -0.03 -0.00 -0.04 6.97 6.91 1pooA1 GLN 344 HE22 0.03 0.01 0.01 -0.04 7.69 7.69 1pooA1 LYS 345 H 0.02 0.11 0.15 -0.55 8.42 8.14 1pooA1 LYS 345 HA 0.01 0.14 0.75 -0.75 4.32 4.46 1pooA1 LYS 345 HB2 0.01 -0.06 0.18 -0.04 1.87 1.96 1pooA1 LYS 345 HB3 0.01 0.03 0.02 -0.04 1.79 1.81 1pooA1 LYS 345 HG2 0.00 0.04 0.00 -0.04 1.46 1.47 1pooA1 LYS 345 HG3 0.01 0.00 -0.04 -0.04 1.46 1.39 1pooA1 LYS 345 HD2 0.01 -0.01 -0.02 -0.04 1.69 1.63 1pooA1 LYS 345 HD3 0.01 -0.02 0.01 -0.04 1.68 1.64 1pooA1 LYS 345 HE2 0.01 -0.01 0.01 -0.04 2.99 2.97 1pooA1 LYS 345 HE3 0.00 0.01 -0.01 -0.04 2.99 2.95 1pooA1 ALA 346 H 0.01 0.66 0.30 -0.55 8.40 8.83 1pooA1 ALA 346 HA 0.02 0.15 0.84 -0.75 4.34 4.59 1pooA1 ALA 346 HB3 0.02 -0.02 -0.04 -0.04 1.41 1.33 1pooA1 ASN 347 H 0.02 0.09 0.11 -0.55 8.53 8.21 1pooA1 ASN 347 HA 0.01 0.02 0.54 -0.75 4.76 4.58 1pooA1 ASN 347 HB2 0.03 0.01 0.05 -0.04 2.88 2.94 1pooA1 ASN 347 HB3 0.02 0.01 0.07 -0.04 2.79 2.86 1pooA1 ASN 347 HD21 0.02 -0.08 -0.13 -0.04 7.03 6.80 1pooA1 ASN 347 HD22 0.03 0.35 -0.04 -0.04 7.74 8.05 1pooA1 GLN 348 H -0.01 0.11 0.25 -0.55 8.47 8.27 1pooA1 GLN 348 HA -0.06 0.07 0.40 -0.75 4.36 4.02 1pooA1 GLN 348 HB2 -0.05 -0.24 0.29 -0.04 2.15 2.10 1pooA1 GLN 348 HB3 -0.14 0.09 0.26 -0.04 2.02 2.18 1pooA1 GLN 348 HG2 -0.05 0.20 0.22 -0.04 2.40 2.74 1pooA1 GLN 348 HG3 -0.02 -0.02 0.25 -0.04 2.39 2.56 1pooA1 GLN 348 HE21 -0.02 -0.07 0.09 -0.04 6.97 6.93 1pooA1 GLN 348 HE22 -0.02 0.22 0.21 -0.04 7.69 8.06 1pooA1 ASN 349 H -0.17 0.30 0.27 -0.55 8.53 8.38 1pooA1 ASN 349 HA -0.09 0.06 0.34 -0.75 4.76 4.31 1pooA1 ASN 349 HB2 0.02 -0.07 -0.04 -0.04 2.88 2.75 1pooA1 ASN 349 HB3 0.01 0.12 -0.26 -0.04 2.79 2.62 1pooA1 ASN 349 HD21 -0.00 -0.10 -0.13 -0.04 7.03 6.76 1pooA1 ASN 349 HD22 0.01 0.48 -0.07 -0.04 7.74 8.12 1pooA1 PHE 350 H 0.11 0.18 0.14 -0.55 8.34 8.23 1pooA1 PHE 350 HA -0.03 0.30 1.00 -0.75 4.62 5.14 1pooA1 PHE 350 HB2 -0.15 -0.05 -0.07 -0.04 3.15 2.84 1pooA1 PHE 350 HB3 -0.08 0.04 -0.15 -0.04 3.06 2.82 1pooA1 PHE 350 HD2 -0.11 0.00 -0.31 -0.04 7.28 6.82 1pooA1 PHE 350 HE2 0.01 0.06 -0.33 -0.04 7.38 7.09 1pooA1 PHE 350 HZ 0.03 -0.11 -0.21 -0.04 7.32 6.99 1pooA1 LYS 351 H 0.10 0.62 0.28 -0.55 8.42 8.87 1pooA1 LYS 351 HA 0.07 0.27 1.06 -0.75 4.32 4.96 1pooA1 LYS 351 HB2 0.08 0.01 0.05 -0.04 1.87 1.97 1pooA1 LYS 351 HB3 0.10 -0.04 -0.12 -0.04 1.79 1.69 1pooA1 LYS 351 HG2 0.07 0.08 -0.15 -0.04 1.46 1.42 1pooA1 LYS 351 HG3 0.06 0.07 -0.04 -0.04 1.46 1.51 1pooA1 LYS 351 HD2 0.03 -0.04 -0.44 -0.04 1.69 1.21 1pooA1 LYS 351 HD3 0.03 -0.04 -0.24 -0.04 1.68 1.39 1pooA1 LYS 351 HE2 0.03 0.31 -0.23 -0.04 2.99 3.05 1pooA1 LYS 351 HE3 0.02 -0.05 -0.11 -0.04 2.99 2.82 1pooA1 MET 352 H 0.08 0.70 0.23 -0.55 8.47 8.93 1pooA1 MET 352 HA 0.05 0.26 0.97 -0.75 4.52 5.04 1pooA1 MET 352 HB2 0.08 -0.05 0.04 -0.04 2.15 2.18 1pooA1 MET 352 HB3 -0.06 -0.00 -0.11 -0.04 2.03 1.81 1pooA1 MET 352 HG2 -0.10 0.04 -0.17 -0.04 2.63 2.36 1pooA1 MET 352 HG3 -0.04 -0.00 -0.22 -0.04 2.56 2.25 1pooA1 MET 352 HE3 0.04 0.01 -0.35 -0.04 2.10 1.77 1pooA1 VAL 353 H 0.19 0.79 0.26 -0.55 8.24 8.93 1pooA1 VAL 353 HA 0.16 0.11 1.06 -0.75 4.13 4.71 1pooA1 VAL 353 HB 0.32 -0.06 0.03 -0.04 2.12 2.37 1pooA1 VAL 353 HG13 0.05 0.07 -0.21 -0.04 0.97 0.84 1pooA1 VAL 353 HG23 0.20 0.00 -0.31 -0.04 0.95 0.80 1pooA1 PRO 354 HA 0.37 0.21 0.65 -0.51 4.44 5.16 1pooA1 PRO 354 HB2 0.14 -0.08 0.14 -0.04 2.28 2.44 1pooA1 PRO 354 HB3 0.25 0.07 0.15 -0.04 2.02 2.46 1pooA1 PRO 354 HG2 0.14 0.09 0.12 -0.04 2.03 2.34 1pooA1 PRO 354 HG3 0.38 0.10 0.08 -0.04 2.03 2.56 1pooA1 PRO 354 HD2 0.13 0.18 0.26 -0.04 3.68 4.21 1pooA1 PRO 354 HD3 0.22 0.07 0.25 -0.04 3.65 4.15 1pooA1 TRP 355 H 0.47 0.44 -0.05 -0.55 7.97 8.29 1pooA1 TRP 355 HA 0.05 0.05 0.17 -0.75 4.62 4.13 1pooA1 TRP 355 HB2 0.22 -0.03 -0.21 -0.04 3.23 3.17 1pooA1 TRP 355 HB3 0.24 0.16 -0.14 -0.04 3.23 3.44 1pooA1 TRP 355 HD1 0.16 0.06 -0.16 -0.04 7.22 7.23 1pooA1 TRP 355 HE1 0.07 0.02 -0.14 -0.04 10.20 10.11 1pooA1 TRP 355 HE3 0.07 0.00 -0.16 -0.04 7.59 7.46 1pooA1 TRP 355 HZ2 -0.62 0.03 -0.17 -0.04 7.44 6.64 1pooA1 TRP 355 HZ3 -0.14 0.03 -0.17 -0.04 7.13 6.81 1pooA1 TRP 355 HH2 -0.32 0.04 -0.18 -0.04 7.19 6.69 1pooA1 GLU 356 H 0.20 0.11 -0.28 -0.55 8.60 8.09 1pooA1 GLU 356 HA -0.35 0.06 0.35 -0.75 4.29 3.60 1pooA1 GLU 356 HB2 -0.22 0.06 0.04 -0.04 2.09 1.92 1pooA1 GLU 356 HB3 -0.13 -0.00 0.05 -0.04 1.99 1.86 1pooA1 GLU 356 HG2 -0.01 0.05 -0.14 -0.04 2.34 2.20 1pooA1 GLU 356 HG3 0.03 0.06 -0.06 -0.04 2.34 2.33 1pooA1 ARG 357 H -0.09 0.44 -0.40 -0.55 8.46 7.85 1pooA1 ARG 357 HA -0.17 0.04 0.39 -0.75 4.34 3.85 1pooA1 ARG 357 HB2 -0.06 0.30 0.11 -0.04 1.90 2.21 1pooA1 ARG 357 HB3 -0.11 -0.05 0.01 -0.04 1.80 1.61 1pooA1 ARG 357 HG2 -0.03 -0.02 0.10 -0.04 1.67 1.68 1pooA1 ARG 357 HG3 -0.05 -0.06 0.03 -0.04 1.67 1.54 1pooA1 ARG 357 HD2 0.03 -0.06 0.05 -0.04 3.22 3.19 1pooA1 ARG 357 HD3 0.05 0.04 0.14 -0.04 3.22 3.40 1pooA1 ILE 358 H -0.59 0.40 -0.28 -0.55 8.25 7.23 1pooA1 ILE 358 HA -0.53 0.13 0.54 -0.75 4.18 3.56 1pooA1 ILE 358 HB -1.55 0.05 -0.01 -0.04 1.89 0.34 1pooA1 ILE 358 HG12 -1.30 0.01 -0.20 -0.04 1.49 -0.04 1pooA1 ILE 358 HG13 -0.53 -0.05 -0.30 -0.04 1.21 0.29 1pooA1 ILE 358 HG23 -0.86 -0.01 -0.24 -0.04 0.93 -0.22 1pooA1 ILE 358 HD13 -0.30 -0.01 -0.19 -0.04 0.88 0.34 1pooA1 ALA 359 H -1.06 0.52 0.03 -0.55 8.40 7.35 1pooA1 ALA 359 HA -0.50 0.00 0.36 -0.75 4.34 3.45 1pooA1 ALA 359 HB3 -0.43 0.02 0.01 -0.04 1.41 0.97 1pooA1 ASP 360 H -0.41 0.63 -0.09 -0.55 8.40 7.98 1pooA1 ASP 360 HA -0.23 0.03 0.30 -0.75 4.63 3.97 1pooA1 ASP 360 HB2 -0.20 0.03 0.12 -0.04 2.71 2.61 1pooA1 ASP 360 HB3 -0.24 0.06 0.06 -0.04 2.70 2.55 1pooA1 LYS 361 H -0.52 0.23 -0.44 -0.55 8.42 7.14 1pooA1 LYS 361 HA -0.33 0.07 0.38 -0.75 4.32 3.68 1pooA1 LYS 361 HB2 -1.76 0.07 -0.04 -0.04 1.87 0.09 1pooA1 LYS 361 HB3 -0.88 -0.03 0.09 -0.04 1.79 0.92 1pooA1 LYS 361 HG2 -0.42 0.12 0.09 -0.04 1.46 1.20 1pooA1 LYS 361 HG3 -0.38 0.01 0.06 -0.04 1.46 1.12 1pooA1 LYS 361 HD2 -0.22 -0.02 -0.03 -0.04 1.69 1.38 1pooA1 LYS 361 HD3 -0.17 -0.03 0.03 -0.04 1.68 1.47 1pooA1 LYS 361 HE2 -0.06 -0.05 0.07 -0.04 2.99 2.91 1pooA1 LYS 361 HE3 -0.03 0.15 0.14 -0.04 2.99 3.22 1pooA1 ILE 362 H -0.47 0.36 -0.40 -0.55 8.25 7.19 1pooA1 ILE 362 HA -0.29 0.24 0.94 -0.75 4.18 4.32 1pooA1 ILE 362 HB -0.23 -0.03 0.08 -0.04 1.89 1.67 1pooA1 ILE 362 HG12 -0.46 0.23 0.08 -0.04 1.49 1.31 1pooA1 ILE 362 HG13 -0.22 -0.06 -0.13 -0.04 1.21 0.76 1pooA1 ILE 362 HG23 -0.21 -0.01 -0.16 -0.04 0.93 0.52 1pooA1 ILE 362 HD13 -0.56 -0.05 -0.13 -0.04 0.88 0.10 1pooA1 GLY 363 H -0.29 0.35 -0.23 -0.55 8.43 7.72 1pooA1 GLY 363 HA2 -0.24 0.03 0.24 -0.51 4.01 3.53 1pooA1 GLY 363 HA3 -0.15 0.06 0.41 -0.51 4.01 3.82 1pooA1 PHE 364 H -0.26 0.53 -0.14 -0.55 8.34 7.91 1pooA1 PHE 364 HA -0.21 0.11 0.75 -0.75 4.62 4.51 1pooA1 PHE 364 HB2 -0.05 0.07 -0.12 -0.04 3.15 3.01 1pooA1 PHE 364 HB3 -0.22 -0.04 0.07 -0.04 3.06 2.83 1pooA1 PHE 364 HD2 0.14 0.02 -0.09 -0.04 7.28 7.31 1pooA1 PHE 364 HE2 0.37 -0.01 -0.12 -0.04 7.38 7.58 1pooA1 PHE 364 HZ 0.34 -0.07 -0.08 -0.04 7.32 7.47 1pooA1 HIS 365 H -0.30 0.21 -0.05 -0.55 8.41 7.72 1pooA1 HIS 365 HA -0.41 0.19 0.80 -0.75 4.63 4.45 1pooA1 HIS 365 HB2 -0.13 -0.02 0.10 -0.04 3.26 3.17 1pooA1 HIS 365 HB3 -0.18 -0.00 -0.02 -0.04 3.20 2.96 1pooA1 HIS 365 HD2 -0.06 0.02 -0.10 -0.04 6.97 6.78 1pooA1 HIS 365 HE1 -0.14 0.03 -0.09 -0.04 7.75 7.51 1pooA1 PRO 366 HA -0.16 0.03 0.52 -0.51 4.44 4.32 1pooA1 PRO 366 HB2 0.19 0.08 -0.19 -0.04 2.28 2.32 1pooA1 PRO 366 HB3 -0.06 0.00 -0.02 -0.04 2.02 1.90 1pooA1 PRO 366 HG2 -0.23 -0.00 -0.03 -0.04 2.03 1.72 1pooA1 PRO 366 HG3 0.16 0.04 -0.08 -0.04 2.03 2.10 1pooA1 PRO 366 HD2 -0.56 0.18 0.00 -0.04 3.68 3.26 1pooA1 PRO 366 HD3 -1.54 0.09 -0.28 -0.04 3.65 1.87 1pooA1 GLN 367 H 0.07 0.13 0.12 -0.55 8.47 8.24 1pooA1 GLN 367 HA 0.09 0.10 0.50 -0.75 4.36 4.30 1pooA1 GLN 367 HB2 0.06 0.08 0.14 -0.04 2.15 2.39 1pooA1 GLN 367 HB3 0.07 -0.08 0.08 -0.04 2.02 2.05 1pooA1 GLN 367 HG2 0.05 -0.14 -0.05 -0.04 2.40 2.22 1pooA1 GLN 367 HG3 0.05 0.07 0.04 -0.04 2.39 2.50 1pooA1 GLN 367 HE21 0.03 0.04 -0.04 -0.04 6.97 6.96 1pooA1 GLN 367 HE22 0.03 -0.06 -0.07 -0.04 7.69 7.55 1pooA1 VAL 368 H 0.18 0.19 0.15 -0.55 8.24 8.21 1pooA1 VAL 368 HA 0.08 0.10 0.22 -0.75 4.13 3.78 1pooA1 VAL 368 HB 0.04 0.04 0.12 -0.04 2.12 2.28 1pooA1 VAL 368 HG13 -0.03 -0.00 -0.06 -0.04 0.97 0.83 1pooA1 VAL 368 HG23 -0.47 0.01 0.02 -0.04 0.95 0.47 1pooA1 ASN 369 H 0.03 0.04 -0.36 -0.55 8.53 7.68 1pooA1 ASN 369 HA -0.04 0.25 0.95 -0.75 4.76 5.17 1pooA1 ASN 369 HB2 0.00 0.03 0.20 -0.04 2.88 3.07 1pooA1 ASN 369 HB3 -0.02 0.02 0.04 -0.04 2.79 2.78 1pooA1 ASN 369 HD21 0.01 0.01 -0.02 -0.04 7.03 6.99 1pooA1 ASN 369 HD22 -0.01 0.02 -0.02 -0.04 7.74 7.69 1pooA1 LYS 370 H 0.06 0.62 -0.31 -0.55 8.42 8.25 1pooA1 LYS 370 HA 0.06 0.23 0.83 -0.75 4.32 4.69 1pooA1 LYS 370 HB2 0.07 -0.06 0.07 -0.04 1.87 1.91 1pooA1 LYS 370 HB3 0.08 -0.07 0.23 -0.04 1.79 1.99 1pooA1 LYS 370 HG2 0.05 0.05 0.08 -0.04 1.46 1.59 1pooA1 LYS 370 HG3 0.04 0.00 -0.19 -0.04 1.46 1.27 1pooA1 LYS 370 HD2 0.05 -0.04 -0.00 -0.04 1.69 1.66 1pooA1 LYS 370 HD3 0.06 -0.03 0.04 -0.04 1.68 1.71 1pooA1 LYS 370 HE2 0.04 -0.00 0.01 -0.04 2.99 2.99 1pooA1 LYS 370 HE3 0.03 0.01 0.02 -0.04 2.99 3.01 1pooA1 GLN 371 H 0.08 0.15 -0.14 -0.55 8.47 8.01 1pooA1 GLN 371 HA 0.15 0.05 0.69 -0.75 4.36 4.49 1pooA1 GLN 371 HB2 0.03 -0.04 0.07 -0.04 2.15 2.17 1pooA1 GLN 371 HB3 0.21 0.31 0.12 -0.04 2.02 2.62 1pooA1 GLN 371 HG2 0.22 -0.04 -0.09 -0.04 2.40 2.45 1pooA1 GLN 371 HG3 0.11 0.03 -0.11 -0.04 2.39 2.38 1pooA1 GLN 371 HE21 -0.24 0.23 0.11 -0.04 6.97 7.03 1pooA1 GLN 371 HE22 -0.18 0.31 0.16 -0.04 7.69 7.95 1pooA1 VAL 372 H 0.09 0.23 0.13 -0.55 8.24 8.15 1pooA1 VAL 372 HA 0.01 0.06 0.54 -0.75 4.13 3.98 1pooA1 VAL 372 HB -0.04 0.09 0.06 -0.04 2.12 2.20 1pooA1 VAL 372 HG13 -0.14 -0.02 -0.27 -0.04 0.97 0.50 1pooA1 VAL 372 HG23 0.04 0.01 -0.27 -0.04 0.95 0.69 1pooA1 ASP 373 H -0.14 0.21 0.14 -0.55 8.40 8.06 1pooA1 ASP 373 HA -1.11 0.15 0.55 -0.75 4.63 3.46 1pooA1 ASP 373 HB2 -0.38 0.10 0.06 -0.04 2.71 2.45 1pooA1 ASP 373 HB3 -0.25 0.02 0.13 -0.04 2.70 2.57 1pooA1 PRO 374 HA -0.29 0.06 0.30 -0.51 4.44 4.00 1pooA1 PRO 374 HB2 -0.87 -0.01 0.03 -0.04 2.28 1.38 1pooA1 PRO 374 HB3 -0.21 0.03 0.09 -0.04 2.02 1.89 1pooA1 PRO 374 HG2 -0.36 0.02 0.06 -0.04 2.03 1.71 1pooA1 PRO 374 HG3 -0.24 0.07 0.10 -0.04 2.03 1.91 1pooA1 PRO 374 HD2 -0.73 0.08 0.13 -0.04 3.68 3.12 1pooA1 PRO 374 HD3 -0.71 0.30 0.28 -0.04 3.65 3.49 1pooA1 ARG 375 H -0.43 0.11 -0.29 -0.55 8.46 7.30 1pooA1 ARG 375 HA -0.11 0.20 0.84 -0.75 4.34 4.52 1pooA1 ARG 375 HB2 -0.10 0.05 0.15 -0.04 1.90 1.96 1pooA1 ARG 375 HB3 -0.19 -0.06 0.02 -0.04 1.80 1.53 1pooA1 ARG 375 HG2 -0.32 -0.03 -0.06 -0.04 1.67 1.22 1pooA1 ARG 375 HG3 -0.17 0.04 -0.04 -0.04 1.67 1.46 1pooA1 ARG 375 HD2 -0.76 -0.07 -0.05 -0.04 3.22 2.30 1pooA1 ARG 375 HD3 -0.37 0.05 -0.05 -0.04 3.22 2.81 1pooA1 LYS 376 H -0.21 0.61 -0.40 -0.55 8.42 7.87 1pooA1 LYS 376 HA -0.08 0.21 0.81 -0.75 4.32 4.51 1pooA1 LYS 376 HB2 -0.15 -0.08 0.05 -0.04 1.87 1.65 1pooA1 LYS 376 HB3 -0.08 -0.01 0.22 -0.04 1.79 1.87 1pooA1 LYS 376 HG2 -0.06 0.05 0.04 -0.04 1.46 1.45 1pooA1 LYS 376 HG3 -0.10 0.01 -0.33 -0.04 1.46 1.01 1pooA1 LYS 376 HD2 -0.08 -0.04 -0.05 -0.04 1.69 1.48 1pooA1 LYS 376 HD3 -0.05 -0.01 0.02 -0.04 1.68 1.59 1pooA1 LYS 376 HE2 -0.03 -0.01 0.00 -0.04 2.99 2.91 1pooA1 LYS 376 HE3 -0.03 0.01 0.01 -0.04 2.99 2.94 1pooA1 MET 377 H -0.09 0.14 -0.12 -0.55 8.47 7.85 1pooA1 MET 377 HA -0.10 0.13 0.81 -0.75 4.52 4.60 1pooA1 MET 377 HB2 -0.11 0.04 -0.00 -0.04 2.15 2.03 1pooA1 MET 377 HB3 -0.13 -0.06 0.09 -0.04 2.03 1.88 1pooA1 MET 377 HG2 -0.22 0.02 -0.20 -0.04 2.63 2.19 1pooA1 MET 377 HG3 -0.20 0.15 -0.08 -0.04 2.56 2.39 1pooA1 MET 377 HE3 -0.21 -0.00 0.09 -0.04 2.10 1.94 1pooA1 THR 378 H -0.08 0.10 0.14 -0.55 8.28 7.89 1pooA1 THR 378 HA -0.07 0.30 1.04 -0.75 4.39 4.90 1pooA1 THR 378 HB -0.06 -0.01 0.15 -0.04 4.32 4.36 1pooA1 THR 378 HG23 -0.04 0.02 -0.17 -0.04 1.22 0.98 1pooA1 ASP 379 H -0.07 0.16 0.17 -0.55 8.40 8.12 1pooA1 ASP 379 HA -0.08 0.08 0.68 -0.75 4.63 4.55 1pooA1 ASP 379 HB2 -0.06 0.24 0.01 -0.04 2.71 2.86 1pooA1 ASP 379 HB3 -0.05 0.01 0.10 -0.04 2.70 2.72 1pooA1 ARG 380 H -0.10 0.46 0.36 -0.55 8.46 8.63 1pooA1 ARG 380 HA -0.12 0.14 0.67 -0.75 4.34 4.28 1pooA1 ARG 380 HB2 -0.61 -0.06 -0.37 -0.04 1.90 0.81 1pooA1 ARG 380 HB3 -0.72 -0.00 0.07 -0.04 1.80 1.10 1pooA1 ARG 380 HG2 -0.22 0.02 0.00 -0.04 1.67 1.42 1pooA1 ARG 380 HG3 -0.21 0.12 -0.42 -0.04 1.67 1.12 1pooA1 ARG 380 HD2 -0.41 -0.06 -0.14 -0.04 3.22 2.56 1pooA1 ARG 380 HD3 -0.91 0.03 -0.06 -0.04 3.22 2.24 1pooA1 SER 381 H -0.03 -0.05 0.10 -0.55 8.46 7.94 1pooA1 SER 381 HA 0.08 0.28 0.36 -0.75 4.49 4.46 1pooA1 SER 381 HB2 0.04 0.04 0.05 -0.04 3.95 4.05 1pooA1 SER 381 HB3 0.05 -0.02 -0.10 -0.04 3.93 3.82