============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. TYR 12 0.840 1.275 22.591 5.304 -99.200 -91.000 TYR 17 0.840 7.453 29.669 8.444 -99.200 -91.000 TYR 18 0.840 -0.623 29.603 4.695 -99.200 -91.000 PHE 30 1.000 -7.794 36.104 -3.567 -99.200 -91.000 PHE 34 1.000 2.426 38.932 2.909 -99.200 -91.000 TRP 42 1.040 1.470 34.340 -8.653 -99.200 -91.000 TRP6 42 1.020 0.074 32.525 -8.120 -99.200 -91.000 TYR 54 0.840 -8.139 20.278 -5.305 -99.200 -91.000 HIS 55 0.900 -4.767 26.961 -4.299 -99.200 -91.000 PHE 58 1.000 -10.135 39.837 -8.282 -99.200 -91.000 TYR 66 0.840 -11.321 43.876 -12.906 -99.200 -91.000 HIS 68 0.900 -10.379 46.584 -19.088 -99.200 -91.000 TYR 77 0.840 7.115 31.937 -9.254 -99.200 -91.000 PHE 85 1.000 -6.944 38.137 -16.907 -99.200 -91.000 PHE 102 1.000 -5.153 41.808 -8.907 -99.200 -91.000 PHE 113 1.000 1.726 27.153 -7.821 -99.200 -91.000 PHE 118 1.000 1.806 28.999 -1.891 -99.200 -91.000 PHE 126 1.000 15.422 45.582 -4.053 -99.200 -91.000 PHE 138 1.000 8.085 48.352 1.705 -99.200 -91.000 PHE 152 1.000 10.014 44.015 3.154 -99.200 -91.000 PHE 154 1.000 9.132 38.609 5.513 -99.200 -91.000 TYR 155 0.840 8.622 35.215 15.569 -99.200 -91.000 TYR 156 0.840 9.215 33.174 7.321 -99.200 -91.000 HIS 174 0.900 7.124 37.892 18.022 -99.200 -91.000 TYR 175 0.840 14.222 43.545 17.613 -99.200 -91.000 PHE 179 1.000 16.975 44.375 13.619 -99.200 -91.000 HIS 180 0.900 26.996 44.013 11.430 -99.200 -91.000 TYR 181 0.840 20.367 47.398 10.253 -99.200 -91.000 TRP 190 1.040 14.658 42.564 -1.037 -99.200 -91.000 TRP6 190 1.020 15.392 44.351 0.295 -99.200 -91.000 TYR 220 0.840 13.336 22.428 2.526 -99.200 -91.000 PHE 242 1.000 12.914 11.162 -2.635 -99.200 -91.000 TYR 244 0.840 22.483 16.402 0.548 -99.200 -91.000 PHE 259 1.000 25.019 29.639 6.556 -99.200 -91.000 HIS 260 0.900 32.884 36.668 8.176 -99.200 -91.000 TYR 266 0.840 24.576 37.133 11.329 -99.200 -91.000 TYR 273 0.840 22.177 22.078 10.697 -99.200 -91.000 PHE 275 1.000 13.041 19.966 8.776 -99.200 -91.000 HIS 281 0.900 15.944 20.093 0.484 -99.200 -91.000 TRP 293 1.040 26.207 29.690 -0.297 -99.200 -91.000 TRP6 293 1.020 25.957 27.644 0.848 -99.200 -91.000 PHE 299 1.000 20.566 33.361 8.291 -99.200 -91.000 PHE 303 1.000 20.875 34.424 13.205 -99.200 -91.000 TYR 304 0.840 12.176 40.822 13.622 -99.200 -91.000 PHE 307 1.000 14.107 40.955 3.850 -99.200 -91.000 PHE 316 1.000 20.518 38.896 8.162 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2renA1 GLY 4 HA2 0.01 -0.05 0.11 -0.51 4.01 3.56 2renA1 GLY 4 HA3 0.00 -0.03 0.18 -0.51 4.01 3.66 2renA1 ASN 5 H 0.01 0.12 0.06 -0.55 8.53 8.17 2renA1 ASN 5 HA 0.01 0.19 0.51 -0.75 4.76 4.72 2renA1 ASN 5 HB2 0.01 -0.06 0.13 -0.04 2.88 2.92 2renA1 ASN 5 HB3 0.01 -0.05 0.03 -0.04 2.79 2.75 2renA1 ASN 5 HD21 0.00 0.02 -0.06 -0.04 7.03 6.95 2renA1 ASN 5 HD22 0.01 -0.04 0.02 -0.04 7.74 7.68 2renA1 THR 6 H 0.01 0.95 0.53 -0.55 8.28 9.23 2renA1 THR 6 HA 0.02 0.14 0.84 -0.75 4.39 4.64 2renA1 THR 6 HB 0.01 0.02 -0.11 -0.04 4.32 4.20 2renA1 THR 6 HG23 0.02 -0.03 -0.15 -0.04 1.22 1.01 2renA1 THR 7 H 0.02 0.23 0.10 -0.55 8.28 8.09 2renA1 THR 7 HA 0.05 0.22 0.78 -0.75 4.39 4.69 2renA1 THR 7 HB 0.03 -0.01 0.10 -0.04 4.32 4.40 2renA1 THR 7 HG23 0.05 -0.02 -0.24 -0.04 1.22 0.96 2renA1 SER 8 H 0.03 0.26 0.22 -0.55 8.46 8.42 2renA1 SER 8 HA 0.01 0.21 0.92 -0.75 4.49 4.88 2renA1 SER 8 HB2 -0.00 -0.18 -0.04 -0.04 3.95 3.69 2renA1 SER 8 HB3 0.00 0.54 0.32 -0.04 3.93 4.74 2renA1 SER 9 H 0.00 0.28 0.25 -0.55 8.46 8.45 2renA1 SER 9 HA -0.02 0.25 0.99 -0.75 4.49 4.95 2renA1 SER 9 HB2 0.03 0.01 -0.17 -0.04 3.95 3.78 2renA1 SER 9 HB3 0.02 -0.01 0.07 -0.04 3.93 3.97 2renA1 VAL 10 H -0.08 0.78 0.33 -0.55 8.24 8.72 2renA1 VAL 10 HA -0.02 0.04 0.80 -0.75 4.13 4.20 2renA1 VAL 10 HB -0.27 -0.01 0.13 -0.04 2.12 1.93 2renA1 VAL 10 HG13 -0.08 0.01 -0.02 -0.04 0.97 0.84 2renA1 VAL 10 HG23 -0.08 -0.03 -0.24 -0.04 0.95 0.56 2renA1 ILE 11 H 0.01 0.18 0.20 -0.55 8.25 8.08 2renA1 ILE 11 HA 0.03 0.15 0.88 -0.75 4.18 4.49 2renA1 ILE 11 HB 0.06 0.10 0.17 -0.04 1.89 2.17 2renA1 ILE 11 HG12 0.03 -0.02 0.05 -0.04 1.49 1.51 2renA1 ILE 11 HG13 0.02 -0.06 -0.00 -0.04 1.21 1.13 2renA1 ILE 11 HG23 0.04 -0.00 -0.09 -0.04 0.93 0.84 2renA1 ILE 11 HD13 0.04 0.04 0.05 -0.04 0.88 0.96 2renA1 LEU 12 H 0.04 0.57 0.10 -0.55 8.37 8.53 2renA1 LEU 12 HA -0.01 0.31 1.10 -0.75 4.35 4.99 2renA1 LEU 12 HB2 0.09 -0.10 -0.24 -0.04 1.64 1.35 2renA1 LEU 12 HB3 0.06 0.05 -0.05 -0.04 1.64 1.67 2renA1 LEU 12 HG 0.02 -0.06 -0.31 -0.04 1.64 1.25 2renA1 LEU 12 HD13 0.29 -0.00 -0.18 -0.04 0.93 1.00 2renA1 LEU 12 HD23 0.12 -0.02 -0.36 -0.04 0.89 0.59 2renA1 THR 13 H -0.28 0.54 0.36 -0.55 8.28 8.34 2renA1 THR 13 HA -0.17 0.21 0.90 -0.75 4.39 4.58 2renA1 THR 13 HB -1.13 -0.05 0.06 -0.04 4.32 3.16 2renA1 THR 13 HG23 -0.16 0.01 -0.12 -0.04 1.22 0.91 2renA1 ASN 14 H -0.16 0.22 0.17 -0.55 8.53 8.21 2renA1 ASN 14 HA -0.56 0.25 0.91 -0.75 4.76 4.61 2renA1 ASN 14 HB2 -0.26 0.17 0.04 -0.04 2.88 2.78 2renA1 ASN 14 HB3 -0.17 -0.03 0.17 -0.04 2.79 2.72 2renA1 ASN 14 HD21 -0.11 -0.12 0.04 -0.04 7.03 6.79 2renA1 ASN 14 HD22 -0.08 0.04 -0.22 -0.04 7.74 7.44 2renA1 TYR 15 H -0.10 0.99 0.28 -0.55 8.29 8.90 2renA1 TYR 15 HA -0.04 0.10 0.66 -0.75 4.56 4.52 2renA1 TYR 15 HB2 0.29 0.00 0.02 -0.04 3.06 3.33 2renA1 TYR 15 HB3 0.13 -0.03 0.23 -0.04 2.98 3.28 2renA1 TYR 15 HD2 0.05 -0.02 -0.00 -0.04 7.15 7.13 2renA1 TYR 15 HE2 0.02 0.03 -0.04 -0.04 6.85 6.82 2renA1 MET 16 H -0.34 0.36 0.17 -0.55 8.47 8.10 2renA1 MET 16 HA -0.25 0.08 0.33 -0.75 4.52 3.92 2renA1 MET 16 HB2 -0.30 0.07 0.22 -0.04 2.15 2.10 2renA1 MET 16 HB3 -0.38 0.03 0.12 -0.04 2.03 1.76 2renA1 MET 16 HG2 -1.60 -0.12 -0.43 -0.04 2.63 0.43 2renA1 MET 16 HG3 -0.44 0.04 -0.05 -0.04 2.56 2.07 2renA1 MET 16 HE3 -0.26 0.00 0.02 -0.04 2.10 1.82 2renA1 ASP 17 H -0.31 0.09 -0.25 -0.55 8.40 7.38 2renA1 ASP 17 HA -0.11 0.04 0.21 -0.75 4.63 4.02 2renA1 ASP 17 HB2 0.08 0.19 -0.13 -0.04 2.71 2.81 2renA1 ASP 17 HB3 0.21 0.05 0.11 -0.04 2.70 3.03 2renA1 THR 18 H -0.15 0.22 -0.77 -0.55 8.28 7.02 2renA1 THR 18 HA -0.07 0.19 1.00 -0.75 4.39 4.75 2renA1 THR 18 HB -0.01 -0.10 0.05 -0.04 4.32 4.21 2renA1 THR 18 HG23 -0.11 0.07 -0.05 -0.04 1.22 1.08 2renA1 GLN 19 H -0.07 0.42 0.05 -0.55 8.47 8.32 2renA1 GLN 19 HA 0.12 0.20 0.91 -0.75 4.36 4.84 2renA1 GLN 19 HB2 0.38 -0.06 0.11 -0.04 2.15 2.53 2renA1 GLN 19 HB3 0.29 -0.02 -0.07 -0.04 2.02 2.18 2renA1 GLN 19 HG2 0.22 0.08 -0.07 -0.04 2.40 2.58 2renA1 GLN 19 HG3 0.25 -0.01 -0.33 -0.04 2.39 2.26 2renA1 GLN 19 HE21 -0.11 -0.05 -0.03 -0.04 6.97 6.73 2renA1 GLN 19 HE22 0.34 0.06 -0.04 -0.04 7.69 8.01 2renA1 TYR 20 H 0.18 0.27 0.09 -0.55 8.29 8.29 2renA1 TYR 20 HA -0.12 0.35 0.89 -0.75 4.56 4.93 2renA1 TYR 20 HB2 -0.55 -0.00 0.06 -0.04 3.06 2.52 2renA1 TYR 20 HB3 -0.29 -0.02 -0.06 -0.04 2.98 2.58 2renA1 TYR 20 HD2 -0.35 0.01 -0.26 -0.04 7.15 6.50 2renA1 TYR 20 HE2 -0.19 0.29 -0.09 -0.04 6.85 6.82 2renA1 TYR 21 H -0.26 0.45 0.30 -0.55 8.29 8.23 2renA1 TYR 21 HA 0.12 0.15 0.87 -0.75 4.56 4.95 2renA1 TYR 21 HB2 0.03 0.02 0.01 -0.04 3.06 3.08 2renA1 TYR 21 HB3 0.01 -0.02 -0.26 -0.04 2.98 2.67 2renA1 TYR 21 HD2 0.07 -0.04 -0.36 -0.04 7.15 6.78 2renA1 TYR 21 HE2 0.07 0.01 -0.11 -0.04 6.85 6.77 2renA1 GLY 22 H 0.23 0.98 0.45 -0.55 8.43 9.55 2renA1 GLY 22 HA2 0.15 0.27 0.97 -0.51 4.01 4.90 2renA1 GLY 22 HA3 0.42 0.00 0.32 -0.51 4.01 4.24 2renA1 GLU 23 H 0.16 0.22 0.26 -0.55 8.60 8.69 2renA1 GLU 23 HA 0.11 0.48 1.14 -0.75 4.29 5.27 2renA1 GLU 23 HB2 0.08 -0.02 0.17 -0.04 2.09 2.27 2renA1 GLU 23 HB3 0.07 -0.01 -0.06 -0.04 1.99 1.96 2renA1 GLU 23 HG2 0.06 0.05 -0.07 -0.04 2.34 2.34 2renA1 GLU 23 HG3 0.10 -0.03 -0.14 -0.04 2.34 2.23 2renA1 ILE 24 H 0.09 0.69 0.44 -0.55 8.25 8.92 2renA1 ILE 24 HA 0.08 0.18 0.78 -0.75 4.18 4.46 2renA1 ILE 24 HB 0.01 0.04 0.09 -0.04 1.89 1.98 2renA1 ILE 24 HG12 -0.13 -0.02 -0.24 -0.04 1.49 1.07 2renA1 ILE 24 HG13 0.01 -0.01 -0.18 -0.04 1.21 0.99 2renA1 ILE 24 HG23 0.13 -0.03 -0.26 -0.04 0.93 0.72 2renA1 ILE 24 HD13 -0.20 -0.01 -0.20 -0.04 0.88 0.43 2renA1 GLY 25 H 0.04 0.49 0.37 -0.55 8.43 8.78 2renA1 GLY 25 HA2 0.11 0.31 0.77 -0.51 4.01 4.69 2renA1 GLY 25 HA3 0.06 -0.00 0.23 -0.51 4.01 3.79 2renA1 ILE 26 H 0.19 0.50 0.30 -0.55 8.25 8.69 2renA1 ILE 26 HA -0.05 0.27 1.02 -0.75 4.18 4.67 2renA1 ILE 26 HB 0.09 -0.00 0.03 -0.04 1.89 1.96 2renA1 ILE 26 HG12 -0.52 -0.02 -0.22 -0.04 1.49 0.69 2renA1 ILE 26 HG13 -0.14 -0.05 -0.53 -0.04 1.21 0.45 2renA1 ILE 26 HG23 -0.66 -0.02 -0.29 -0.04 0.93 -0.08 2renA1 ILE 26 HD13 -0.98 -0.00 -0.23 -0.04 0.88 -0.37 2renA1 GLY 27 H 0.07 0.86 0.24 -0.55 8.43 9.04 2renA1 GLY 27 HA2 0.17 -0.17 0.30 -0.51 4.01 3.80 2renA1 GLY 27 HA3 0.25 0.14 0.52 -0.51 4.01 4.42 2renA1 THR 28 H 0.14 0.06 0.09 -0.55 8.28 8.02 2renA1 THR 28 HA 0.07 0.16 0.81 -0.75 4.39 4.67 2renA1 THR 28 HB 0.08 -0.19 0.12 -0.04 4.32 4.29 2renA1 THR 28 HG23 0.05 0.03 -0.11 -0.04 1.22 1.15 2renA1 PRO 29 HA 0.05 0.08 0.33 -0.51 4.44 4.39 2renA1 PRO 29 HB2 0.03 0.09 -0.04 -0.04 2.28 2.32 2renA1 PRO 29 HB3 0.03 -0.02 0.08 -0.04 2.02 2.07 2renA1 PRO 29 HG2 0.02 0.06 0.01 -0.04 2.03 2.08 2renA1 PRO 29 HG3 0.02 -0.00 0.07 -0.04 2.03 2.07 2renA1 PRO 29 HD2 0.03 0.30 0.32 -0.04 3.68 4.29 2renA1 PRO 29 HD3 0.03 0.05 0.30 -0.04 3.65 3.99 2renA1 PRO 30 HA 0.10 0.18 0.12 -0.51 4.44 4.34 2renA1 PRO 30 HB2 0.04 -0.00 -0.07 -0.04 2.28 2.21 2renA1 PRO 30 HB3 0.06 -0.13 -0.14 -0.04 2.02 1.78 2renA1 PRO 30 HG2 0.04 -0.00 -0.03 -0.04 2.03 2.00 2renA1 PRO 30 HG3 0.05 0.22 -0.10 -0.04 2.03 2.16 2renA1 PRO 30 HD2 0.04 0.10 0.09 -0.04 3.68 3.87 2renA1 PRO 30 HD3 0.04 0.07 0.16 -0.04 3.65 3.88 2renA1 GLN 31 H 0.18 0.33 0.26 -0.55 8.47 8.69 2renA1 GLN 31 HA -0.02 0.13 0.73 -0.75 4.36 4.44 2renA1 GLN 31 HB2 0.44 -0.05 0.15 -0.04 2.15 2.65 2renA1 GLN 31 HB3 -0.06 0.04 0.01 -0.04 2.02 1.97 2renA1 GLN 31 HG2 -0.01 0.02 0.03 -0.04 2.40 2.40 2renA1 GLN 31 HG3 0.06 0.10 -0.19 -0.04 2.39 2.33 2renA1 GLN 31 HE21 -0.06 -0.03 -0.15 -0.04 6.97 6.70 2renA1 GLN 31 HE22 0.05 0.24 -0.05 -0.04 7.69 7.89 2renA1 THR 32 H -0.11 0.20 0.14 -0.55 8.28 7.96 2renA1 THR 32 HA 0.05 0.30 0.97 -0.75 4.39 4.95 2renA1 THR 32 HB -0.02 0.00 -0.04 -0.04 4.32 4.23 2renA1 THR 32 HG23 0.03 -0.00 -0.13 -0.04 1.22 1.08 2renA1 PHE 33 H 0.19 0.74 0.42 -0.55 8.34 9.14 2renA1 PHE 33 HA -0.00 0.20 0.99 -0.75 4.62 5.06 2renA1 PHE 33 HB2 -0.10 -0.06 -0.08 -0.04 3.15 2.87 2renA1 PHE 33 HB3 -0.10 0.03 -0.05 -0.04 3.06 2.89 2renA1 PHE 33 HD2 -0.03 0.06 -0.14 -0.04 7.28 7.13 2renA1 PHE 33 HE2 0.14 0.11 -0.22 -0.04 7.38 7.37 2renA1 PHE 33 HZ 0.29 -0.12 -0.26 -0.04 7.32 7.19 2renA1 LYS 34 H 0.12 0.18 0.25 -0.55 8.42 8.42 2renA1 LYS 34 HA 0.16 0.51 0.87 -0.75 4.32 5.10 2renA1 LYS 34 HB2 0.06 0.01 0.25 -0.04 1.87 2.15 2renA1 LYS 34 HB3 0.07 0.00 0.08 -0.04 1.79 1.91 2renA1 LYS 34 HG2 0.38 -0.01 -0.07 -0.04 1.46 1.71 2renA1 LYS 34 HG3 0.15 -0.03 -0.16 -0.04 1.46 1.38 2renA1 LYS 34 HD2 0.15 -0.02 -0.06 -0.04 1.69 1.72 2renA1 LYS 34 HD3 0.08 -0.01 -0.02 -0.04 1.68 1.68 2renA1 LYS 34 HE2 0.33 -0.01 -0.00 -0.04 2.99 3.27 2renA1 LYS 34 HE3 0.18 -0.03 0.01 -0.04 2.99 3.10 2renA1 VAL 35 H 0.05 0.91 0.44 -0.55 8.24 9.10 2renA1 VAL 35 HA -0.20 0.30 0.94 -0.75 4.13 4.42 2renA1 VAL 35 HB -0.54 -0.03 -0.15 -0.04 2.12 1.35 2renA1 VAL 35 HG13 -0.29 -0.02 -0.54 -0.04 0.97 0.07 2renA1 VAL 35 HG23 -0.50 0.02 -0.31 -0.04 0.95 0.12 2renA1 VAL 36 H -0.45 0.33 0.35 -0.55 8.24 7.92 2renA1 VAL 36 HA -0.06 0.24 0.83 -0.75 4.13 4.38 2renA1 VAL 36 HB -0.65 -0.02 0.13 -0.04 2.12 1.54 2renA1 VAL 36 HG13 -0.14 -0.00 -0.29 -0.04 0.97 0.50 2renA1 VAL 36 HG23 -0.55 0.07 0.00 -0.04 0.95 0.43 2renA1 PHE 37 H 0.34 0.27 0.11 -0.55 8.34 8.51 2renA1 PHE 37 HA -0.02 0.23 0.66 -0.75 4.62 4.74 2renA1 PHE 37 HB2 0.15 0.03 0.09 -0.04 3.15 3.38 2renA1 PHE 37 HB3 0.05 -0.00 -0.02 -0.04 3.06 3.04 2renA1 PHE 37 HD2 -0.05 0.01 -0.13 -0.04 7.28 7.07 2renA1 PHE 37 HE2 -0.05 -0.04 -0.15 -0.04 7.38 7.10 2renA1 PHE 37 HZ -0.04 0.07 -0.19 -0.04 7.32 7.12 2renA1 ASP 38 H 0.04 0.57 0.26 -0.55 8.40 8.72 2renA1 ASP 38 HA 0.02 0.01 1.00 -0.75 4.63 4.90 2renA1 ASP 38 HB2 -0.02 0.16 -0.30 -0.04 2.71 2.52 2renA1 ASP 38 HB3 -0.00 0.10 0.06 -0.04 2.70 2.82 2renA1 THR 39 H -0.12 0.22 0.16 -0.55 8.28 7.99 2renA1 THR 39 HA 0.10 0.08 0.25 -0.75 4.39 4.05 2renA1 THR 39 HB -0.04 0.12 0.18 -0.04 4.32 4.53 2renA1 THR 39 HG23 -1.27 0.04 0.03 -0.04 1.22 -0.03 2renA1 GLY 40 H 0.10 -0.12 -0.61 -0.55 8.43 7.25 2renA1 GLY 40 HA2 0.19 0.20 0.63 -0.51 4.01 4.52 2renA1 GLY 40 HA3 0.14 -0.02 0.21 -0.51 4.01 3.83 2renA1 SER 41 H 0.15 0.37 0.01 -0.55 8.46 8.45 2renA1 SER 41 HA 0.17 0.22 0.76 -0.75 4.49 4.88 2renA1 SER 41 HB2 0.33 0.09 0.02 -0.04 3.95 4.36 2renA1 SER 41 HB3 0.24 -0.07 -0.07 -0.04 3.93 3.98 2renA1 SER 42 H 0.13 0.18 0.10 -0.55 8.46 8.33 2renA1 SER 42 HA 0.10 0.11 0.73 -0.75 4.49 4.68 2renA1 SER 42 HB2 0.09 0.15 -0.53 -0.04 3.95 3.63 2renA1 SER 42 HB3 0.08 0.05 -0.20 -0.04 3.93 3.81 2renA1 ASN 43 H 0.14 0.06 0.10 -0.55 8.53 8.29 2renA1 ASN 43 HA 0.08 0.27 0.82 -0.75 4.76 5.17 2renA1 ASN 43 HB2 0.20 -0.06 0.01 -0.04 2.88 2.99 2renA1 ASN 43 HB3 0.16 0.12 -0.02 -0.04 2.79 3.01 2renA1 ASN 43 HD21 0.03 0.28 0.09 -0.04 7.03 7.39 2renA1 ASN 43 HD22 0.05 0.02 -0.01 -0.04 7.74 7.76 2renA1 VAL 44 H 0.09 0.26 0.25 -0.55 8.24 8.30 2renA1 VAL 44 HA -0.08 0.41 1.11 -0.75 4.13 4.81 2renA1 VAL 44 HB -0.12 -0.08 0.30 -0.04 2.12 2.18 2renA1 VAL 44 HG13 -0.01 0.01 0.02 -0.04 0.97 0.95 2renA1 VAL 44 HG23 -0.16 -0.00 -0.15 -0.04 0.95 0.59 2renA1 TRP 45 H -0.28 0.69 0.39 -0.55 7.97 8.23 2renA1 TRP 45 HA -0.01 0.24 0.65 -0.75 4.62 4.74 2renA1 TRP 45 HB2 -0.04 0.06 0.05 -0.04 3.23 3.25 2renA1 TRP 45 HB3 -0.00 -0.01 -0.22 -0.04 3.23 2.95 2renA1 TRP 45 HD1 0.11 -0.03 -0.25 -0.04 7.22 7.02 2renA1 TRP 45 HE1 0.13 -0.02 -0.15 -0.04 10.20 10.12 2renA1 TRP 45 HE3 -0.12 0.03 -0.39 -0.04 7.59 7.07 2renA1 TRP 45 HZ2 -0.11 -0.02 -0.16 -0.04 7.44 7.11 2renA1 TRP 45 HZ3 -0.26 0.20 -0.01 -0.04 7.13 7.02 2renA1 TRP 45 HH2 -0.79 0.11 -0.14 -0.04 7.19 6.34 2renA1 VAL 46 H 0.31 0.58 0.34 -0.55 8.24 8.93 2renA1 VAL 46 HA -0.09 0.24 0.57 -0.75 4.13 4.10 2renA1 VAL 46 HB -0.65 0.13 0.01 -0.04 2.12 1.56 2renA1 VAL 46 HG13 -0.80 -0.03 -0.33 -0.04 0.97 -0.23 2renA1 VAL 46 HG23 -0.29 0.02 -0.26 -0.04 0.95 0.38 2renA1 PRO 47 HA 0.14 0.03 0.67 -0.51 4.44 4.76 2renA1 PRO 47 HB2 0.21 0.13 0.10 -0.04 2.28 2.68 2renA1 PRO 47 HB3 0.15 0.02 0.11 -0.04 2.02 2.26 2renA1 PRO 47 HG2 0.12 0.13 0.16 -0.04 2.03 2.40 2renA1 PRO 47 HG3 0.30 -0.07 0.12 -0.04 2.03 2.34 2renA1 PRO 47 HD2 0.24 0.19 0.26 -0.04 3.68 4.34 2renA1 PRO 47 HD3 0.06 0.28 0.26 -0.04 3.65 4.21 2renA1 SER 48 H 0.12 0.65 0.29 -0.55 8.46 8.97 2renA1 SER 48 HA 0.29 0.16 0.97 -0.75 4.49 5.16 2renA1 SER 48 HB2 0.31 0.05 0.14 -0.04 3.95 4.41 2renA1 SER 48 HB3 0.11 -0.07 -0.08 -0.04 3.93 3.85 2renA1 SER 49 H 0.12 0.48 0.22 -0.55 8.46 8.73 2renA1 SER 49 HA 0.07 0.20 0.48 -0.75 4.49 4.49 2renA1 SER 49 HB2 0.01 0.04 0.10 -0.04 3.95 4.06 2renA1 SER 49 HB3 -0.00 0.05 -0.12 -0.04 3.93 3.82 2renA1 LYS 50 H 0.15 -0.07 -0.49 -0.55 8.42 7.46 2renA1 LYS 50 HA 0.08 0.16 0.53 -0.75 4.32 4.34 2renA1 LYS 50 HB2 0.24 -0.01 -0.03 -0.04 1.87 2.03 2renA1 LYS 50 HB3 0.10 0.03 0.13 -0.04 1.79 2.01 2renA1 LYS 50 HG2 0.15 -0.06 -0.06 -0.04 1.46 1.45 2renA1 LYS 50 HG3 0.37 -0.03 -0.01 -0.04 1.46 1.76 2renA1 LYS 50 HD2 -0.01 -0.00 -0.00 -0.04 1.69 1.64 2renA1 LYS 50 HD3 0.03 0.05 0.00 -0.04 1.68 1.73 2renA1 LYS 50 HE2 0.00 0.02 -0.02 -0.04 2.99 2.95 2renA1 LYS 50 HE3 0.03 0.02 -0.03 -0.04 2.99 2.97 2renA1 CYS 51 H 0.10 0.33 -0.45 -0.55 8.50 7.93 2renA1 CYS 51 HA 0.08 0.04 0.53 -0.75 4.58 4.47 2renA1 CYS 51 HB2 0.09 0.13 0.21 -0.04 2.97 3.35 2renA1 CYS 51 HB3 0.08 0.06 0.02 -0.04 2.97 3.09 2renA1 SER 52 H 0.05 0.15 0.13 -0.55 8.46 8.24 2renA1 SER 52 HA 0.04 0.09 0.13 -0.75 4.49 3.99 2renA1 SER 52 HB2 0.03 0.01 0.14 -0.04 3.95 4.09 2renA1 SER 52 HB3 0.04 -0.01 0.11 -0.04 3.93 4.03 2renA1 THR 56 HA 0.02 -0.04 0.27 -0.75 4.39 3.88 2renA1 THR 56 HB 0.05 -0.00 -0.27 -0.04 4.32 4.06 2renA1 THR 56 HG23 0.03 -0.03 0.06 -0.04 1.22 1.24 2renA1 ALA 57 H 0.02 0.13 -0.03 -0.55 8.40 7.98 2renA1 ALA 57 HA 0.03 0.03 0.32 -0.75 4.34 3.97 2renA1 ALA 57 HB3 0.03 0.05 -0.09 -0.04 1.41 1.36 2renA1 CYS 58 H 0.12 0.60 -0.16 -0.55 8.50 8.51 2renA1 CYS 58 HA 0.16 0.09 0.54 -0.75 4.58 4.62 2renA1 CYS 58 HB2 0.09 0.18 -0.02 -0.04 2.97 3.17 2renA1 CYS 58 HB3 0.09 0.09 -0.02 -0.04 2.97 3.09 2renA1 VAL 59 H 0.16 0.25 0.30 -0.55 8.24 8.40 2renA1 VAL 59 HA 0.01 0.05 0.34 -0.75 4.13 3.78 2renA1 VAL 59 HB 0.60 -0.13 0.09 -0.04 2.12 2.64 2renA1 VAL 59 HG13 -0.34 -0.01 -0.17 -0.04 0.97 0.40 2renA1 VAL 59 HG23 0.15 0.12 0.09 -0.04 0.95 1.27 2renA1 TYR 60 H 0.38 -0.03 -0.48 -0.55 8.29 7.62 2renA1 TYR 60 HA -0.13 0.10 0.61 -0.75 4.56 4.39 2renA1 TYR 60 HB2 -0.31 0.05 -0.06 -0.04 3.06 2.70 2renA1 TYR 60 HB3 -0.33 0.08 0.06 -0.04 2.98 2.74 2renA1 TYR 60 HD2 -0.09 -0.03 -0.01 -0.04 7.15 6.98 2renA1 TYR 60 HE2 -0.04 -0.00 -0.06 -0.04 6.85 6.71 2renA1 HIS 61 H 0.06 0.41 -0.33 -0.55 8.41 8.00 2renA1 HIS 61 HA 0.02 0.18 1.02 -0.75 4.63 5.09 2renA1 HIS 61 HB2 0.08 0.01 -0.03 -0.04 3.26 3.28 2renA1 HIS 61 HB3 0.07 -0.09 0.08 -0.04 3.20 3.23 2renA1 HIS 61 HD2 -0.06 -0.12 -0.17 -0.04 6.97 6.57 2renA1 HIS 61 HE1 -0.01 0.14 0.03 -0.04 7.75 7.87 2renA1 LYS 62 H 0.13 0.06 0.15 -0.55 8.42 8.21 2renA1 LYS 62 HA -0.00 0.03 0.41 -0.75 4.32 4.00 2renA1 LYS 62 HB2 -0.13 0.02 0.14 -0.04 1.87 1.86 2renA1 LYS 62 HB3 -0.13 -0.08 0.18 -0.04 1.79 1.72 2renA1 LYS 62 HG2 -1.18 -0.02 -0.17 -0.04 1.46 0.05 2renA1 LYS 62 HG3 -0.25 0.08 -0.30 -0.04 1.46 0.95 2renA1 LYS 62 HD2 -0.17 0.00 0.03 -0.04 1.69 1.51 2renA1 LYS 62 HD3 -0.17 -0.01 0.06 -0.04 1.68 1.51 2renA1 LYS 62 HE2 -0.58 -0.03 -0.03 -0.04 2.99 2.31 2renA1 LYS 62 HE3 -0.21 -0.06 0.05 -0.04 2.99 2.73 2renA1 LEU 63 H 0.05 0.14 0.16 -0.55 8.37 8.18 2renA1 LEU 63 HA 0.27 0.20 0.51 -0.75 4.35 4.57 2renA1 LEU 63 HB2 0.06 -0.08 0.08 -0.04 1.64 1.67 2renA1 LEU 63 HB3 0.11 -0.09 -0.34 -0.04 1.64 1.28 2renA1 LEU 63 HG 0.07 0.13 0.00 -0.04 1.64 1.80 2renA1 LEU 63 HD13 0.06 -0.02 -0.01 -0.04 0.93 0.92 2renA1 LEU 63 HD23 0.14 0.05 -0.14 -0.04 0.89 0.89 2renA1 PHE 64 H 0.47 0.72 0.23 -0.55 8.34 9.21 2renA1 PHE 64 HA 0.42 0.06 0.45 -0.75 4.62 4.79 2renA1 PHE 64 HB2 0.18 0.04 -0.05 -0.04 3.15 3.28 2renA1 PHE 64 HB3 0.15 0.07 0.05 -0.04 3.06 3.29 2renA1 PHE 64 HD2 0.26 0.01 -0.11 -0.04 7.28 7.39 2renA1 PHE 64 HE2 0.23 0.03 -0.20 -0.04 7.38 7.40 2renA1 PHE 64 HZ 0.34 0.00 -0.17 -0.04 7.32 7.45 2renA1 ASP 65 H -0.52 0.26 0.07 -0.55 8.40 7.66 2renA1 ASP 65 HA -0.37 0.07 1.08 -0.75 4.63 4.65 2renA1 ASP 65 HB2 -0.13 0.11 -0.12 -0.04 2.71 2.54 2renA1 ASP 65 HB3 -0.18 0.07 0.14 -0.04 2.70 2.69 2renA1 ALA 66 H -0.54 0.20 0.02 -0.55 8.40 7.54 2renA1 ALA 66 HA -0.33 0.07 0.36 -0.75 4.34 3.69 2renA1 ALA 66 HB3 -0.86 0.02 0.05 -0.04 1.41 0.59 2renA1 SER 67 H -0.20 0.08 -0.34 -0.55 8.46 7.45 2renA1 SER 67 HA -0.11 0.17 0.57 -0.75 4.49 4.36 2renA1 SER 67 HB2 -0.06 0.04 0.20 -0.04 3.95 4.09 2renA1 SER 67 HB3 -0.08 -0.02 0.07 -0.04 3.93 3.86 2renA1 ASP 68 H -0.13 0.23 -0.73 -0.55 8.40 7.22 2renA1 ASP 68 HA -0.03 0.13 0.71 -0.75 4.63 4.68 2renA1 ASP 68 HB2 -0.10 0.17 0.07 -0.04 2.71 2.81 2renA1 ASP 68 HB3 -0.03 0.01 0.18 -0.04 2.70 2.82 2renA1 SER 69 H -0.00 0.35 -0.11 -0.55 8.46 8.15 2renA1 SER 69 HA 0.09 0.43 0.91 -0.75 4.49 5.16 2renA1 SER 69 HB2 0.18 0.15 -0.16 -0.04 3.95 4.08 2renA1 SER 69 HB3 0.23 0.03 0.16 -0.04 3.93 4.31 2renA1 SER 70 H 0.08 0.56 0.24 -0.55 8.46 8.81 2renA1 SER 70 HA 0.08 0.11 0.49 -0.75 4.49 4.41 2renA1 SER 70 HB2 0.06 0.22 0.18 -0.04 3.95 4.37 2renA1 SER 70 HB3 0.07 -0.02 -0.17 -0.04 3.93 3.77 2renA1 SER 71 H 0.16 -0.04 -0.33 -0.55 8.46 7.70 2renA1 SER 71 HA 0.10 0.26 0.69 -0.75 4.49 4.78 2renA1 SER 71 HB2 0.08 0.04 0.07 -0.04 3.95 4.11 2renA1 SER 71 HB3 0.09 0.03 -0.12 -0.04 3.93 3.88 2renA1 TYR 72 H 0.29 0.23 -0.12 -0.55 8.29 8.14 2renA1 TYR 72 HA 0.16 0.24 0.68 -0.75 4.56 4.89 2renA1 TYR 72 HB2 0.23 -0.09 0.14 -0.04 3.06 3.31 2renA1 TYR 72 HB3 0.13 0.16 0.19 -0.04 2.98 3.43 2renA1 TYR 72 HD2 0.27 0.02 -0.09 -0.04 7.15 7.31 2renA1 TYR 72 HE2 0.22 -0.02 -0.03 -0.04 6.85 6.98 2renA1 LYS 73 H -0.41 0.54 0.11 -0.55 8.42 8.11 2renA1 LYS 73 HA 0.00 0.13 0.75 -0.75 4.32 4.45 2renA1 LYS 73 HB2 -0.07 -0.02 0.07 -0.04 1.87 1.80 2renA1 LYS 73 HB3 0.01 0.01 0.07 -0.04 1.79 1.84 2renA1 LYS 73 HG2 0.00 0.04 -0.51 -0.04 1.46 0.96 2renA1 LYS 73 HG3 -0.02 -0.05 -0.10 -0.04 1.46 1.26 2renA1 LYS 73 HD2 0.01 -0.04 -0.08 -0.04 1.69 1.54 2renA1 LYS 73 HD3 0.03 -0.00 -0.05 -0.04 1.68 1.61 2renA1 LYS 73 HE2 0.04 -0.01 -0.15 -0.04 2.99 2.83 2renA1 LYS 73 HE3 0.04 -0.03 -0.07 -0.04 2.99 2.88 2renA1 HIS 74 H 0.08 0.14 0.03 -0.55 8.41 8.11 2renA1 HIS 74 HA -0.42 -0.04 0.52 -0.75 4.63 3.94 2renA1 HIS 74 HB2 0.09 -0.03 0.05 -0.04 3.26 3.33 2renA1 HIS 74 HB3 0.18 0.01 0.08 -0.04 3.20 3.44 2renA1 HIS 74 HD2 0.01 -0.01 -0.17 -0.04 6.97 6.76 2renA1 HIS 74 HE1 0.00 0.01 -0.03 -0.04 7.75 7.68 2renA1 ASN 75 H -0.05 0.07 0.25 -0.55 8.53 8.25 2renA1 ASN 75 HA -0.29 0.19 0.79 -0.75 4.76 4.70 2renA1 ASN 75 HB2 -0.15 0.05 -0.18 -0.04 2.88 2.56 2renA1 ASN 75 HB3 -0.08 0.11 -0.10 -0.04 2.79 2.69 2renA1 ASN 75 HD21 -0.08 -0.00 -0.00 -0.04 7.03 6.90 2renA1 ASN 75 HD22 -0.12 0.07 -0.02 -0.04 7.74 7.63 2renA1 GLY 76 H 0.15 0.65 0.32 -0.55 8.43 8.99 2renA1 GLY 76 HA2 0.10 -0.01 0.38 -0.51 4.01 3.97 2renA1 GLY 76 HA3 -0.01 0.12 0.51 -0.51 4.01 4.11 2renA1 THR 77 H 0.01 0.08 -0.22 -0.55 8.28 7.61 2renA1 THR 77 HA 0.01 0.06 0.45 -0.75 4.39 4.15 2renA1 THR 77 HB -0.00 -0.10 0.07 -0.04 4.32 4.25 2renA1 THR 77 HG23 -0.00 0.08 -0.05 -0.04 1.22 1.20 2renA1 GLU 78 H 0.02 0.08 0.22 -0.55 8.60 8.38 2renA1 GLU 78 HA 0.08 0.28 0.66 -0.75 4.29 4.56 2renA1 GLU 78 HB2 0.01 -0.05 0.05 -0.04 2.09 2.06 2renA1 GLU 78 HB3 0.02 -0.06 0.16 -0.04 1.99 2.07 2renA1 GLU 78 HG2 0.02 -0.02 0.05 -0.04 2.34 2.35 2renA1 GLU 78 HG3 0.05 0.09 0.08 -0.04 2.34 2.52 2renA1 LEU 79 H 0.02 0.48 0.23 -0.55 8.37 8.54 2renA1 LEU 79 HA -0.02 -0.01 0.42 -0.75 4.35 3.99 2renA1 LEU 79 HB2 -0.02 -0.01 -0.07 -0.04 1.64 1.49 2renA1 LEU 79 HB3 -0.01 0.24 0.12 -0.04 1.64 1.95 2renA1 LEU 79 HG -0.02 0.07 -0.39 -0.04 1.64 1.26 2renA1 LEU 79 HD13 -0.06 -0.03 -0.34 -0.04 0.93 0.46 2renA1 LEU 79 HD23 -0.01 0.01 -0.15 -0.04 0.89 0.70 2renA1 THR 80 H -0.04 0.29 0.11 -0.55 8.28 8.09 2renA1 THR 80 HA -0.08 0.21 1.01 -0.75 4.39 4.78 2renA1 THR 80 HB -0.04 -0.00 0.07 -0.04 4.32 4.31 2renA1 THR 80 HG23 -0.03 -0.00 -0.07 -0.04 1.22 1.07 2renA1 LEU 81 H -0.14 0.74 0.25 -0.55 8.37 8.67 2renA1 LEU 81 HA -0.14 0.12 0.88 -0.75 4.35 4.45 2renA1 LEU 81 HB2 -0.10 -0.02 0.03 -0.04 1.64 1.51 2renA1 LEU 81 HB3 -0.09 0.00 -0.02 -0.04 1.64 1.49 2renA1 LEU 81 HG -0.07 -0.08 -0.37 -0.04 1.64 1.08 2renA1 LEU 81 HD13 -0.09 0.00 -0.20 -0.04 0.93 0.59 2renA1 LEU 81 HD23 0.08 0.01 -0.07 -0.04 0.89 0.86 2renA1 ARG 82 H -0.23 0.20 0.13 -0.55 8.46 8.01 2renA1 ARG 82 HA -0.11 0.10 1.08 -0.75 4.34 4.66 2renA1 ARG 82 HB2 -0.04 0.04 0.03 -0.04 1.90 1.89 2renA1 ARG 82 HB3 -0.09 -0.02 0.06 -0.04 1.80 1.71 2renA1 ARG 82 HG2 -0.07 -0.03 0.01 -0.04 1.67 1.54 2renA1 ARG 82 HG3 -0.05 0.04 -0.52 -0.04 1.67 1.11 2renA1 ARG 82 HD2 -0.01 -0.01 -0.05 -0.04 3.22 3.11 2renA1 ARG 82 HD3 -0.02 -0.02 -0.04 -0.04 3.22 3.10 2renA1 TYR 83 H 0.15 0.67 0.05 -0.55 8.29 8.61 2renA1 TYR 83 HA 0.08 0.20 0.92 -0.75 4.56 5.01 2renA1 TYR 83 HB2 0.13 -0.17 0.04 -0.04 3.06 3.01 2renA1 TYR 83 HB3 0.12 -0.11 0.08 -0.04 2.98 3.03 2renA1 TYR 83 HD2 0.17 -0.00 -0.19 -0.04 7.15 7.09 2renA1 TYR 83 HE2 0.19 0.00 -0.17 -0.04 6.85 6.83 2renA1 SER 84 H 0.24 0.14 0.15 -0.55 8.46 8.45 2renA1 SER 84 HA 0.09 0.13 0.41 -0.75 4.49 4.37 2renA1 SER 84 HB2 0.09 0.06 0.12 -0.04 3.95 4.18 2renA1 SER 84 HB3 0.12 -0.02 0.13 -0.04 3.93 4.12 2renA1 THR 85 H 0.19 -0.24 -0.43 -0.55 8.28 7.25 2renA1 THR 85 HA 0.05 0.25 0.89 -0.75 4.39 4.82 2renA1 THR 85 HB -0.01 -0.05 -0.02 -0.04 4.32 4.19 2renA1 THR 85 HG23 -0.03 0.02 -0.04 -0.04 1.22 1.13 2renA1 GLY 86 H 0.20 -0.15 -0.02 -0.55 8.43 7.91 2renA1 GLY 86 HA2 0.05 0.27 0.87 -0.51 4.01 4.69 2renA1 GLY 86 HA3 0.18 0.03 0.31 -0.51 4.01 4.02 2renA1 THR 87 H 0.30 0.39 0.25 -0.55 8.28 8.68 2renA1 THR 87 HA 0.11 0.10 0.63 -0.75 4.39 4.47 2renA1 THR 87 HB 0.06 0.01 -0.06 -0.04 4.32 4.28 2renA1 THR 87 HG23 0.01 -0.01 -0.16 -0.04 1.22 1.02 2renA1 VAL 88 H -0.05 0.52 0.31 -0.55 8.24 8.47 2renA1 VAL 88 HA -0.18 0.32 0.74 -0.75 4.13 4.26 2renA1 VAL 88 HB -0.53 -0.05 -0.02 -0.04 2.12 1.48 2renA1 VAL 88 HG13 -1.04 0.01 -0.05 -0.04 0.97 -0.16 2renA1 VAL 88 HG23 -0.44 0.01 -0.03 -0.04 0.95 0.45 2renA1 SER 89 H -0.19 0.50 0.38 -0.55 8.46 8.60 2renA1 SER 89 HA -0.12 0.25 0.88 -0.75 4.49 4.74 2renA1 SER 89 HB2 -0.03 0.04 0.04 -0.04 3.95 3.96 2renA1 SER 89 HB3 -0.05 -0.03 0.13 -0.04 3.93 3.93 2renA1 GLY 90 H -0.04 0.78 0.35 -0.55 8.43 8.98 2renA1 GLY 90 HA2 0.11 0.03 0.47 -0.51 4.01 4.11 2renA1 GLY 90 HA3 -0.08 0.17 0.60 -0.51 4.01 4.19 2renA1 PHE 91 H -0.42 0.47 0.30 -0.55 8.34 8.14 2renA1 PHE 91 HA -0.03 0.32 0.70 -0.75 4.62 4.86 2renA1 PHE 91 HB2 -0.02 -0.02 -0.18 -0.04 3.15 2.89 2renA1 PHE 91 HB3 -0.00 0.07 -0.28 -0.04 3.06 2.80 2renA1 PHE 91 HD2 0.01 0.00 -0.11 -0.04 7.28 7.14 2renA1 PHE 91 HE2 0.11 -0.02 -0.03 -0.04 7.38 7.39 2renA1 PHE 91 HZ 0.12 -0.05 -0.01 -0.04 7.32 7.34 2renA1 LEU 92 H 0.08 0.61 0.18 -0.55 8.37 8.68 2renA1 LEU 92 HA -0.19 0.14 0.63 -0.75 4.35 4.17 2renA1 LEU 92 HB2 -0.02 0.18 0.14 -0.04 1.64 1.91 2renA1 LEU 92 HB3 -0.04 -0.15 0.09 -0.04 1.64 1.49 2renA1 LEU 92 HG -0.11 0.08 0.01 -0.04 1.64 1.58 2renA1 LEU 92 HD13 -0.06 0.01 -0.19 -0.04 0.93 0.65 2renA1 LEU 92 HD23 -0.04 0.01 -0.04 -0.04 0.89 0.77 2renA1 SER 93 H -0.48 0.90 0.56 -0.55 8.46 8.89 2renA1 SER 93 HA -0.23 -0.02 0.83 -0.75 4.49 4.31 2renA1 SER 93 HB2 -0.87 0.04 -0.03 -0.04 3.95 3.05 2renA1 SER 93 HB3 -0.53 0.02 0.00 -0.04 3.93 3.39 2renA1 GLN 94 H -0.42 0.19 0.17 -0.55 8.47 7.86 2renA1 GLN 94 HA -0.12 0.31 0.99 -0.75 4.36 4.78 2renA1 GLN 94 HB2 -0.15 -0.07 -0.11 -0.04 2.15 1.79 2renA1 GLN 94 HB3 -0.14 0.17 0.15 -0.04 2.02 2.15 2renA1 GLN 94 HG2 -0.00 0.05 -0.06 -0.04 2.40 2.35 2renA1 GLN 94 HG3 -0.03 0.00 -0.18 -0.04 2.39 2.13 2renA1 GLN 94 HE21 -0.02 -0.02 -0.09 -0.04 6.97 6.80 2renA1 GLN 94 HE22 -0.01 0.03 -0.15 -0.04 7.69 7.51 2renA1 ASP 95 H 0.17 0.68 0.33 -0.55 8.40 9.04 2renA1 ASP 95 HA 0.14 0.31 0.41 -0.75 4.63 4.73 2renA1 ASP 95 HB2 0.37 0.11 -0.37 -0.04 2.71 2.78 2renA1 ASP 95 HB3 0.33 -0.02 -0.22 -0.04 2.70 2.75 2renA1 ILE 96 H 0.11 0.07 0.10 -0.55 8.25 7.98 2renA1 ILE 96 HA 0.04 0.21 0.86 -0.75 4.18 4.53 2renA1 ILE 96 HB 0.05 0.01 -0.02 -0.04 1.89 1.89 2renA1 ILE 96 HG12 0.08 -0.12 0.03 -0.04 1.49 1.44 2renA1 ILE 96 HG13 0.07 0.01 -0.12 -0.04 1.21 1.12 2renA1 ILE 96 HG23 0.03 0.05 -0.14 -0.04 0.93 0.82 2renA1 ILE 96 HD13 0.04 0.02 -0.10 -0.04 0.88 0.81 2renA1 ILE 97 H -0.01 0.50 0.39 -0.55 8.25 8.58 2renA1 ILE 97 HA -0.07 0.24 0.85 -0.75 4.18 4.45 2renA1 ILE 97 HB -0.04 -0.02 0.03 -0.04 1.89 1.81 2renA1 ILE 97 HG12 -0.20 -0.04 -0.12 -0.04 1.49 1.09 2renA1 ILE 97 HG13 -0.24 0.07 -0.08 -0.04 1.21 0.92 2renA1 ILE 97 HG23 -0.03 -0.01 -0.22 -0.04 0.93 0.62 2renA1 ILE 97 HD13 -0.21 -0.03 -0.23 -0.04 0.88 0.37 2renA1 THR 98 H 0.00 0.45 0.32 -0.55 8.28 8.50 2renA1 THR 98 HA 0.02 0.38 0.98 -0.75 4.39 5.01 2renA1 THR 98 HB 0.03 -0.08 0.10 -0.04 4.32 4.33 2renA1 THR 98 HG23 0.02 -0.04 -0.13 -0.04 1.22 1.04 2renA1 VAL 99 H 0.02 0.73 0.24 -0.55 8.24 8.68 2renA1 VAL 99 HA 0.06 0.07 0.78 -0.75 4.13 4.29 2renA1 VAL 99 HB 0.09 0.06 -0.05 -0.04 2.12 2.18 2renA1 VAL 99 HG13 0.03 -0.01 -0.19 -0.04 0.97 0.76 2renA1 VAL 99 HG23 0.08 0.01 -0.13 -0.04 0.95 0.87 2renA1 GLY 100 H 0.03 0.24 0.12 -0.55 8.43 8.28 2renA1 GLY 100 HA2 0.01 0.12 0.32 -0.51 4.01 3.95 2renA1 GLY 100 HA3 -0.01 0.03 0.24 -0.51 4.01 3.76 2renA1 GLY 101 H 0.02 -0.04 -0.51 -0.55 8.43 7.36 2renA1 GLY 101 HA2 0.02 -0.01 0.18 -0.51 4.01 3.68 2renA1 GLY 101 HA3 0.01 0.16 0.57 -0.51 4.01 4.24 2renA1 ILE 102 H 0.01 0.24 0.04 -0.55 8.25 8.00 2renA1 ILE 102 HA 0.00 0.15 0.67 -0.75 4.18 4.25 2renA1 ILE 102 HB 0.01 -0.10 -0.01 -0.04 1.89 1.74 2renA1 ILE 102 HG12 0.01 0.02 -0.65 -0.04 1.49 0.82 2renA1 ILE 102 HG13 0.01 -0.02 -0.14 -0.04 1.21 1.03 2renA1 ILE 102 HG23 -0.01 -0.00 -0.11 -0.04 0.93 0.77 2renA1 ILE 102 HD13 0.01 -0.01 -0.12 -0.04 0.88 0.72 2renA1 THR 103 H 0.00 0.37 0.13 -0.55 8.28 8.23 2renA1 THR 103 HA 0.01 0.44 0.97 -0.75 4.39 5.06 2renA1 THR 103 HB 0.02 0.07 0.03 -0.04 4.32 4.40 2renA1 THR 103 HG23 0.02 -0.01 -0.20 -0.04 1.22 0.98 2renA1 VAL 104 H 0.00 0.52 0.26 -0.55 8.24 8.47 2renA1 VAL 104 HA -0.00 0.12 0.58 -0.75 4.13 4.08 2renA1 VAL 104 HB -0.01 0.04 -0.28 -0.04 2.12 1.82 2renA1 VAL 104 HG13 -0.00 0.01 -0.15 -0.04 0.97 0.78 2renA1 VAL 104 HG23 -0.02 0.05 -0.21 -0.04 0.95 0.73 2renA1 THR 105 H 0.00 0.22 0.10 -0.55 8.28 8.06 2renA1 THR 105 HA 0.03 0.13 0.75 -0.75 4.39 4.54 2renA1 THR 105 HB 0.01 -0.00 0.11 -0.04 4.32 4.39 2renA1 THR 105 HG23 0.02 0.01 -0.18 -0.04 1.22 1.03 2renA1 GLN 106 H 0.05 0.50 0.32 -0.55 8.47 8.79 2renA1 GLN 106 HA 0.03 0.12 0.84 -0.75 4.36 4.60 2renA1 GLN 106 HB2 0.02 -0.07 -0.11 -0.04 2.15 1.95 2renA1 GLN 106 HB3 0.09 -0.02 -0.16 -0.04 2.02 1.90 2renA1 GLN 106 HG2 -0.00 -0.11 -0.08 -0.04 2.40 2.17 2renA1 GLN 106 HG3 0.04 0.05 -0.04 -0.04 2.39 2.39 2renA1 GLN 106 HE21 0.02 0.51 0.06 -0.04 6.97 7.52 2renA1 GLN 106 HE22 0.04 0.27 0.14 -0.04 7.69 8.10 2renA1 MET 107 H 0.03 0.17 0.22 -0.55 8.47 8.34 2renA1 MET 107 HA -0.07 0.18 0.74 -0.75 4.52 4.61 2renA1 MET 107 HB2 -0.01 -0.05 0.06 -0.04 2.15 2.11 2renA1 MET 107 HB3 -0.06 0.01 0.06 -0.04 2.03 1.99 2renA1 MET 107 HG2 -0.03 0.00 -0.02 -0.04 2.63 2.54 2renA1 MET 107 HG3 -0.02 -0.02 0.04 -0.04 2.56 2.52 2renA1 MET 107 HE3 -0.10 0.03 -0.10 -0.04 2.10 1.89 2renA1 PHE 108 H -0.37 0.73 0.37 -0.55 8.34 8.52 2renA1 PHE 108 HA -0.05 0.11 0.62 -0.75 4.62 4.55 2renA1 PHE 108 HB2 -0.12 0.02 -0.20 -0.04 3.15 2.81 2renA1 PHE 108 HB3 -0.12 0.01 -0.22 -0.04 3.06 2.69 2renA1 PHE 108 HD2 -0.18 0.16 -0.47 -0.04 7.28 6.74 2renA1 PHE 108 HE2 -0.40 -0.01 -0.33 -0.04 7.38 6.60 2renA1 PHE 108 HZ -0.91 -0.02 -0.27 -0.04 7.32 6.08 2renA1 GLY 109 H 0.16 0.49 0.29 -0.55 8.43 8.83 2renA1 GLY 109 HA2 -0.20 0.16 0.60 -0.51 4.01 4.07 2renA1 GLY 109 HA3 -0.01 -0.01 0.19 -0.51 4.01 3.67 2renA1 GLU 110 H -0.52 0.91 0.33 -0.55 8.60 8.77 2renA1 GLU 110 HA -0.00 0.20 0.62 -0.75 4.29 4.35 2renA1 GLU 110 HB2 -1.06 0.11 0.17 -0.04 2.09 1.26 2renA1 GLU 110 HB3 -0.50 -0.06 0.05 -0.04 1.99 1.45 2renA1 GLU 110 HG2 0.31 0.06 -0.07 -0.04 2.34 2.60 2renA1 GLU 110 HG3 -0.11 -0.02 -0.12 -0.04 2.34 2.05 2renA1 VAL 111 H 0.06 1.02 0.34 -0.55 8.24 9.11 2renA1 VAL 111 HA -0.13 0.04 0.63 -0.75 4.13 3.92 2renA1 VAL 111 HB 0.04 0.04 -0.24 -0.04 2.12 1.91 2renA1 VAL 111 HG13 -0.31 0.01 -0.17 -0.04 0.97 0.46 2renA1 VAL 111 HG23 -0.47 0.00 -0.24 -0.04 0.95 0.20 2renA1 THR 112 H -0.03 0.47 0.50 -0.55 8.28 8.67 2renA1 THR 112 HA 0.07 0.07 0.66 -0.75 4.39 4.43 2renA1 THR 112 HB 0.13 -0.02 0.28 -0.04 4.32 4.68 2renA1 THR 112 HG23 0.09 0.01 -0.10 -0.04 1.22 1.18 2renA1 GLU 113 H -0.06 0.23 0.12 -0.55 8.60 8.35 2renA1 GLU 113 HA 0.00 0.13 0.61 -0.75 4.29 4.28 2renA1 GLU 113 HB2 -0.02 -0.08 0.06 -0.04 2.09 2.01 2renA1 GLU 113 HB3 -0.00 0.01 -0.05 -0.04 1.99 1.92 2renA1 GLU 113 HG2 0.01 0.00 0.03 -0.04 2.34 2.34 2renA1 GLU 113 HG3 0.02 0.35 -0.03 -0.04 2.34 2.64 2renA1 MET 114 H 0.00 0.28 0.05 -0.55 8.47 8.25 2renA1 MET 114 HA -0.06 0.22 0.93 -0.75 4.52 4.86 2renA1 MET 114 HB2 0.01 -0.04 -0.13 -0.04 2.15 1.95 2renA1 MET 114 HB3 0.05 0.09 -0.20 -0.04 2.03 1.93 2renA1 MET 114 HG2 -0.47 0.02 0.00 -0.04 2.63 2.15 2renA1 MET 114 HG3 -0.23 -0.13 -0.28 -0.04 2.56 1.89 2renA1 MET 114 HE3 -0.35 0.04 -0.04 -0.04 2.10 1.71 2renA1 PRO 115 HA 0.06 0.06 0.57 -0.51 4.44 4.62 2renA1 PRO 115 HB2 0.08 -0.07 0.09 -0.04 2.28 2.34 2renA1 PRO 115 HB3 0.07 0.07 0.12 -0.04 2.02 2.23 2renA1 PRO 115 HG2 0.23 -0.08 0.22 -0.04 2.03 2.36 2renA1 PRO 115 HG3 0.14 0.08 0.20 -0.04 2.03 2.41 2renA1 PRO 115 HD2 0.50 0.04 0.31 -0.04 3.68 4.49 2renA1 PRO 115 HD3 0.11 0.37 0.38 -0.04 3.65 4.47 2renA1 ALA 116 H 0.04 0.17 0.20 -0.55 8.40 8.26 2renA1 ALA 116 HA 0.02 0.08 0.53 -0.75 4.34 4.22 2renA1 ALA 116 HB3 -0.01 0.04 0.18 -0.04 1.41 1.58 2renA1 LEU 117 H 0.01 0.06 -0.31 -0.55 8.37 7.58 2renA1 LEU 117 HA -0.04 0.31 1.16 -0.75 4.35 5.03 2renA1 LEU 117 HB2 -0.01 -0.03 0.07 -0.04 1.64 1.62 2renA1 LEU 117 HB3 -0.02 0.05 -0.05 -0.04 1.64 1.57 2renA1 LEU 117 HG -0.02 -0.05 -0.29 -0.04 1.64 1.24 2renA1 LEU 117 HD13 -0.01 -0.00 -0.03 -0.04 0.93 0.85 2renA1 LEU 117 HD23 -0.03 0.03 0.05 -0.04 0.89 0.90 2renA1 PRO 118 HA -0.11 0.16 0.44 -0.51 4.44 4.41 2renA1 PRO 118 HB2 -0.50 0.01 -0.11 -0.04 2.28 1.63 2renA1 PRO 118 HB3 -0.16 0.10 0.05 -0.04 2.02 1.97 2renA1 PRO 118 HG2 -0.30 -0.03 0.11 -0.04 2.03 1.76 2renA1 PRO 118 HG3 -0.14 0.16 0.09 -0.04 2.03 2.10 2renA1 PRO 118 HD2 -0.02 -0.38 0.12 -0.04 3.68 3.36 2renA1 PRO 118 HD3 -0.04 0.22 0.15 -0.04 3.65 3.93 2renA1 PHE 119 H -0.06 0.14 -0.15 -0.55 8.34 7.72 2renA1 PHE 119 HA -0.06 0.15 0.39 -0.75 4.62 4.35 2renA1 PHE 119 HB2 0.03 0.23 0.05 -0.04 3.15 3.42 2renA1 PHE 119 HB3 0.09 0.10 -0.04 -0.04 3.06 3.17 2renA1 PHE 119 HD2 -0.06 0.09 0.02 -0.04 7.28 7.29 2renA1 PHE 119 HE2 0.25 -0.04 -0.08 -0.04 7.38 7.47 2renA1 PHE 119 HZ 0.26 -0.09 -0.12 -0.04 7.32 7.33 2renA1 MET 120 H -0.01 0.07 -0.59 -0.55 8.47 7.39 2renA1 MET 120 HA -0.20 0.05 0.37 -0.75 4.52 3.98 2renA1 MET 120 HB2 -0.15 0.07 -0.01 -0.04 2.15 2.01 2renA1 MET 120 HB3 -0.12 0.11 0.00 -0.04 2.03 1.98 2renA1 MET 120 HG2 -0.28 -0.01 0.00 -0.04 2.63 2.30 2renA1 MET 120 HG3 -0.26 0.00 -0.20 -0.04 2.56 2.06 2renA1 MET 120 HE3 -0.40 -0.02 -0.04 -0.04 2.10 1.60 2renA1 LEU 121 H -0.07 0.26 -0.38 -0.55 8.37 7.63 2renA1 LEU 121 HA -0.09 0.13 0.67 -0.75 4.35 4.31 2renA1 LEU 121 HB2 -0.04 0.07 0.20 -0.04 1.64 1.82 2renA1 LEU 121 HB3 -0.02 -0.04 0.11 -0.04 1.64 1.65 2renA1 LEU 121 HG -0.04 0.00 -0.08 -0.04 1.64 1.48 2renA1 LEU 121 HD13 -0.05 -0.02 -0.00 -0.04 0.93 0.81 2renA1 LEU 121 HD23 0.01 -0.01 0.01 -0.04 0.89 0.85 2renA1 ALA 122 H -0.11 0.50 -0.41 -0.55 8.40 7.84 2renA1 ALA 122 HA -0.23 -0.00 0.65 -0.75 4.34 4.00 2renA1 ALA 122 HB3 -0.65 0.07 -0.01 -0.04 1.41 0.78 2renA1 GLU 123 H -0.31 0.13 0.02 -0.55 8.60 7.89 2renA1 GLU 123 HA -0.22 0.16 0.42 -0.75 4.29 3.89 2renA1 GLU 123 HB2 -0.48 -0.04 -0.00 -0.04 2.09 1.53 2renA1 GLU 123 HB3 -0.26 0.01 0.06 -0.04 1.99 1.75 2renA1 GLU 123 HG2 -0.66 -0.03 -0.04 -0.04 2.34 1.57 2renA1 GLU 123 HG3 -1.36 -0.02 -0.01 -0.04 2.34 0.91 2renA1 PHE 124 H -0.62 -0.01 -0.55 -0.55 8.34 6.60 2renA1 PHE 124 HA -0.34 0.05 0.65 -0.75 4.62 4.23 2renA1 PHE 124 HB2 -0.28 0.01 -0.09 -0.04 3.15 2.75 2renA1 PHE 124 HB3 -0.51 -0.05 -0.21 -0.04 3.06 2.25 2renA1 PHE 124 HD2 -0.26 0.02 -0.18 -0.04 7.28 6.82 2renA1 PHE 124 HE2 0.08 -0.01 -0.11 -0.04 7.38 7.30 2renA1 PHE 124 HZ 0.12 -0.03 -0.10 -0.04 7.32 7.27 2renA1 ASP 125 H -0.04 0.51 0.35 -0.55 8.40 8.68 2renA1 ASP 125 HA -0.58 0.21 0.81 -0.75 4.63 4.32 2renA1 ASP 125 HB2 0.10 0.06 0.32 -0.04 2.71 3.14 2renA1 ASP 125 HB3 0.20 0.01 0.10 -0.04 2.70 2.97 2renA1 GLY 126 H -0.20 0.34 0.35 -0.55 8.43 8.37 2renA1 GLY 126 HA2 -1.84 0.05 0.42 -0.51 4.01 2.13 2renA1 GLY 126 HA3 -0.89 0.23 0.56 -0.51 4.01 3.41 2renA1 VAL 127 H -1.46 0.44 0.31 -0.55 8.24 6.97 2renA1 VAL 127 HA -0.53 0.08 0.83 -0.75 4.13 3.75 2renA1 VAL 127 HB -0.85 -0.03 0.03 -0.04 2.12 1.23 2renA1 VAL 127 HG13 -0.13 0.02 -0.21 -0.04 0.97 0.60 2renA1 VAL 127 HG23 -0.45 0.00 -0.27 -0.04 0.95 0.19 2renA1 VAL 128 H -0.40 0.54 0.19 -0.55 8.24 8.02 2renA1 VAL 128 HA -0.18 0.05 0.67 -0.75 4.13 3.91 2renA1 VAL 128 HB -0.55 0.02 0.07 -0.04 2.12 1.62 2renA1 VAL 128 HG13 -0.00 -0.01 -0.23 -0.04 0.97 0.69 2renA1 VAL 128 HG23 -0.34 0.01 -0.19 -0.04 0.95 0.39 2renA1 GLY 129 H -0.02 0.28 -0.19 -0.55 8.43 7.95 2renA1 GLY 129 HA2 0.02 0.00 0.76 -0.51 4.01 4.29 2renA1 GLY 129 HA3 0.07 -0.05 -0.12 -0.51 4.01 3.39 2renA1 MET 130 H 0.06 0.41 -0.14 -0.55 8.47 8.25 2renA1 MET 130 HA -0.07 0.11 0.61 -0.75 4.52 4.42 2renA1 MET 130 HB2 -0.01 -0.12 -0.23 -0.04 2.15 1.74 2renA1 MET 130 HB3 -0.07 -0.00 -0.06 -0.04 2.03 1.85 2renA1 MET 130 HG2 -1.08 0.03 -0.09 -0.04 2.63 1.45 2renA1 MET 130 HG3 -0.82 0.02 0.01 -0.04 2.56 1.73 2renA1 MET 130 HE3 -0.73 0.01 -0.13 -0.04 2.10 1.21 2renA1 GLY 131 H 0.14 0.37 -0.26 -0.55 8.43 8.13 2renA1 GLY 131 HA2 0.36 0.07 0.33 -0.51 4.01 4.26 2renA1 GLY 131 HA3 0.21 0.07 0.00 -0.51 4.01 3.78 2renA1 PHE 132 H 0.38 0.20 0.04 -0.55 8.34 8.41 2renA1 PHE 132 HA -0.04 0.10 0.63 -0.75 4.62 4.56 2renA1 PHE 132 HB2 -0.12 0.38 0.08 -0.04 3.15 3.45 2renA1 PHE 132 HB3 -0.12 -0.09 0.08 -0.04 3.06 2.89 2renA1 PHE 132 HD2 -0.31 0.02 -0.06 -0.04 7.28 6.89 2renA1 PHE 132 HE2 -1.79 0.05 -0.11 -0.04 7.38 5.49 2renA1 PHE 132 HZ -1.97 0.06 -0.09 -0.04 7.32 5.27 2renA1 ILE 133 H 0.09 0.18 0.16 -0.55 8.25 8.13 2renA1 ILE 133 HA 0.05 0.13 0.32 -0.75 4.18 3.93 2renA1 ILE 133 HB 0.03 0.01 0.13 -0.04 1.89 2.02 2renA1 ILE 133 HG12 0.03 -0.01 -0.02 -0.04 1.49 1.44 2renA1 ILE 133 HG13 0.03 0.04 -0.12 -0.04 1.21 1.12 2renA1 ILE 133 HG23 0.04 0.01 -0.02 -0.04 0.93 0.92 2renA1 ILE 133 HD13 0.01 0.06 -0.07 -0.04 0.88 0.84 2renA1 GLU 134 H 0.09 0.00 -0.40 -0.55 8.60 7.75 2renA1 GLU 134 HA 0.02 0.08 0.32 -0.75 4.29 3.95 2renA1 GLU 134 HB2 0.01 0.05 0.02 -0.04 2.09 2.13 2renA1 GLU 134 HB3 -0.01 0.06 0.00 -0.04 1.99 2.00 2renA1 GLU 134 HG2 -0.06 0.06 0.02 -0.04 2.34 2.32 2renA1 GLU 134 HG3 -0.02 0.05 0.03 -0.04 2.34 2.35 2renA1 GLN 135 H 0.08 0.63 -0.30 -0.55 8.47 8.33 2renA1 GLN 135 HA 0.04 0.18 0.77 -0.75 4.36 4.59 2renA1 GLN 135 HB2 0.11 -0.05 -0.12 -0.04 2.15 2.05 2renA1 GLN 135 HB3 0.08 -0.04 0.10 -0.04 2.02 2.13 2renA1 GLN 135 HG2 0.08 0.01 -0.02 -0.04 2.40 2.43 2renA1 GLN 135 HG3 0.13 -0.10 0.02 -0.04 2.39 2.40 2renA1 GLN 135 HE21 0.05 -0.03 -0.01 -0.04 6.97 6.93 2renA1 GLN 135 HE22 0.09 0.01 0.01 -0.04 7.69 7.76 2renA1 ALA 136 H 0.05 0.44 -0.20 -0.55 8.40 8.14 2renA1 ALA 136 HA 0.05 -0.05 0.51 -0.75 4.34 4.09 2renA1 ALA 136 HB3 0.04 0.04 0.01 -0.04 1.41 1.46 2renA1 ILE 137 H 0.03 0.12 0.13 -0.55 8.25 7.98 2renA1 ILE 137 HA 0.00 0.08 0.52 -0.75 4.18 4.03 2renA1 ILE 137 HB 0.01 -0.06 0.16 -0.04 1.89 1.95 2renA1 ILE 137 HG12 -0.01 -0.02 0.12 -0.04 1.49 1.54 2renA1 ILE 137 HG13 -0.04 0.03 0.11 -0.04 1.21 1.27 2renA1 ILE 137 HG23 -0.02 0.03 -0.05 -0.04 0.93 0.86 2renA1 ILE 137 HD13 -0.01 0.01 -0.13 -0.04 0.88 0.71 2renA1 GLY 138 H 0.00 0.23 0.19 -0.55 8.43 8.31 2renA1 GLY 138 HA2 -0.00 0.04 0.28 -0.51 4.01 3.81 2renA1 GLY 138 HA3 -0.00 0.14 0.53 -0.51 4.01 4.17 2renA1 ARG 139 H 0.01 0.39 -0.54 -0.55 8.46 7.77 2renA1 ARG 139 HA 0.02 0.14 0.21 -0.75 4.34 3.95 2renA1 ARG 139 HB2 0.00 0.02 0.24 -0.04 1.90 2.13 2renA1 ARG 139 HB3 0.01 -0.02 0.06 -0.04 1.80 1.82 2renA1 ARG 139 HG2 0.00 0.01 -0.06 -0.04 1.67 1.58 2renA1 ARG 139 HG3 0.00 -0.15 -0.34 -0.04 1.67 1.14 2renA1 ARG 139 HD2 -0.00 -0.00 -0.28 -0.04 3.22 2.89 2renA1 ARG 139 HD3 -0.00 0.03 -0.05 -0.04 3.22 3.15 2renA1 VAL 140 H 0.02 0.06 -0.42 -0.55 8.24 7.35 2renA1 VAL 140 HA 0.00 0.11 0.53 -0.75 4.13 4.02 2renA1 VAL 140 HB 0.01 0.03 -0.13 -0.04 2.12 2.00 2renA1 VAL 140 HG13 -0.01 0.00 -0.09 -0.04 0.97 0.83 2renA1 VAL 140 HG23 0.02 -0.03 -0.10 -0.04 0.95 0.79 2renA1 THR 141 H 0.00 0.18 0.12 -0.55 8.28 8.03 2renA1 THR 141 HA 0.01 0.01 0.31 -0.75 4.39 3.97 2renA1 THR 141 HB 0.00 -0.02 0.11 -0.04 4.32 4.37 2renA1 THR 141 HG23 -0.00 0.01 -0.07 -0.04 1.22 1.12 2renA1 PRO 142 HA 0.03 0.08 0.49 -0.51 4.44 4.53 2renA1 PRO 142 HB2 0.04 -0.04 0.03 -0.04 2.28 2.27 2renA1 PRO 142 HB3 0.05 0.32 0.11 -0.04 2.02 2.45 2renA1 PRO 142 HG2 0.02 -0.16 0.09 -0.04 2.03 1.94 2renA1 PRO 142 HG3 0.03 -0.02 -0.22 -0.04 2.03 1.78 2renA1 PRO 142 HD2 0.02 -0.01 0.19 -0.04 3.68 3.85 2renA1 PRO 142 HD3 0.03 0.27 0.09 -0.04 3.65 4.00 2renA1 ILE 143 H 0.02 0.19 0.14 -0.55 8.25 8.05 2renA1 ILE 143 HA 0.01 0.11 0.39 -0.75 4.18 3.93 2renA1 ILE 143 HB 0.00 0.03 0.07 -0.04 1.89 1.96 2renA1 ILE 143 HG12 0.03 -0.00 -0.21 -0.04 1.49 1.26 2renA1 ILE 143 HG13 0.00 -0.00 -0.02 -0.04 1.21 1.15 2renA1 ILE 143 HG23 0.03 0.03 -0.07 -0.04 0.93 0.88 2renA1 ILE 143 HD13 -0.01 0.01 -0.12 -0.04 0.88 0.71 2renA1 PHE 144 H 0.11 0.20 -0.20 -0.55 8.34 7.91 2renA1 PHE 144 HA -0.07 0.08 0.39 -0.75 4.62 4.27 2renA1 PHE 144 HB2 -0.20 0.03 0.01 -0.04 3.15 2.95 2renA1 PHE 144 HB3 -0.06 0.07 -0.07 -0.04 3.06 2.95 2renA1 PHE 144 HD2 -0.04 0.01 -0.13 -0.04 7.28 7.07 2renA1 PHE 144 HE2 0.10 -0.01 -0.14 -0.04 7.38 7.29 2renA1 PHE 144 HZ 0.17 0.04 -0.12 -0.04 7.32 7.38 2renA1 ASP 145 H 0.04 0.24 -0.22 -0.55 8.40 7.92 2renA1 ASP 145 HA -0.05 0.06 0.31 -0.75 4.63 4.20 2renA1 ASP 145 HB2 -0.01 0.11 -0.02 -0.04 2.71 2.75 2renA1 ASP 145 HB3 -0.01 0.02 0.06 -0.04 2.70 2.73 2renA1 ASN 146 H -0.04 0.28 -0.46 -0.55 8.53 7.77 2renA1 ASN 146 HA -0.05 0.04 0.54 -0.75 4.76 4.54 2renA1 ASN 146 HB2 -0.01 0.20 -0.01 -0.04 2.88 3.02 2renA1 ASN 146 HB3 -0.02 0.09 0.09 -0.04 2.79 2.90 2renA1 ASN 146 HD21 -0.00 0.02 0.07 -0.04 7.03 7.07 2renA1 ASN 146 HD22 -0.00 0.13 -0.05 -0.04 7.74 7.78 2renA1 ILE 147 H -0.12 0.68 0.10 -0.55 8.25 8.37 2renA1 ILE 147 HA -0.09 0.08 0.45 -0.75 4.18 3.88 2renA1 ILE 147 HB -0.07 -0.01 0.08 -0.04 1.89 1.85 2renA1 ILE 147 HG12 -0.43 0.11 -0.37 -0.04 1.49 0.75 2renA1 ILE 147 HG13 -0.12 -0.03 -0.09 -0.04 1.21 0.93 2renA1 ILE 147 HG23 -0.02 0.03 -0.11 -0.04 0.93 0.79 2renA1 ILE 147 HD13 0.12 -0.02 -0.11 -0.04 0.88 0.83 2renA1 ILE 148 H -0.25 0.25 -0.73 -0.55 8.25 6.97 2renA1 ILE 148 HA -0.25 0.09 0.64 -0.75 4.18 3.91 2renA1 ILE 148 HB -0.16 -0.01 0.09 -0.04 1.89 1.76 2renA1 ILE 148 HG12 -0.20 0.07 0.13 -0.04 1.49 1.45 2renA1 ILE 148 HG13 -0.10 0.04 -0.07 -0.04 1.21 1.04 2renA1 ILE 148 HG23 -0.75 0.02 -0.05 -0.04 0.93 0.11 2renA1 ILE 148 HD13 -0.04 -0.04 -0.07 -0.04 0.88 0.70 2renA1 SER 149 H -0.11 0.24 -0.19 -0.55 8.46 7.85 2renA1 SER 149 HA -0.05 0.04 0.48 -0.75 4.49 4.21 2renA1 SER 149 HB2 -0.06 0.18 0.33 -0.04 3.95 4.36 2renA1 SER 149 HB3 -0.04 -0.03 0.05 -0.04 3.93 3.87 2renA1 GLN 150 H -0.07 0.16 -0.41 -0.55 8.47 7.60 2renA1 GLN 150 HA -0.03 0.10 0.39 -0.75 4.36 4.07 2renA1 GLN 150 HB2 -0.05 0.02 0.10 -0.04 2.15 2.18 2renA1 GLN 150 HB3 -0.04 -0.05 -0.02 -0.04 2.02 1.88 2renA1 GLN 150 HG2 -0.02 -0.03 0.06 -0.04 2.40 2.37 2renA1 GLN 150 HG3 -0.02 0.03 0.10 -0.04 2.39 2.45 2renA1 GLN 150 HE21 -0.01 -0.00 0.05 -0.04 6.97 6.97 2renA1 GLN 150 HE22 -0.01 0.01 0.07 -0.04 7.69 7.71 2renA1 GLY 151 H -0.06 0.27 -0.74 -0.55 8.43 7.36 2renA1 GLY 151 HA2 -0.04 0.06 0.25 -0.51 4.01 3.78 2renA1 GLY 151 HA3 -0.02 0.05 0.31 -0.51 4.01 3.84 2renA1 VAL 152 H -0.04 0.04 -0.26 -0.55 8.24 7.44 2renA1 VAL 152 HA -0.01 0.24 0.76 -0.75 4.13 4.36 2renA1 VAL 152 HB -0.01 0.01 0.06 -0.04 2.12 2.14 2renA1 VAL 152 HG13 -0.01 0.04 -0.01 -0.04 0.97 0.95 2renA1 VAL 152 HG23 -0.03 -0.03 -0.03 -0.04 0.95 0.82 2renA1 LEU 153 H -0.03 0.01 -0.05 -0.55 8.37 7.75 2renA1 LEU 153 HA 0.02 0.13 0.79 -0.75 4.35 4.53 2renA1 LEU 153 HB2 -0.03 -0.06 0.05 -0.04 1.64 1.56 2renA1 LEU 153 HB3 0.04 0.06 -0.02 -0.04 1.64 1.68 2renA1 LEU 153 HG 0.05 0.08 -0.14 -0.04 1.64 1.59 2renA1 LEU 153 HD13 -0.03 0.01 -0.10 -0.04 0.93 0.78 2renA1 LEU 153 HD23 0.09 0.00 0.00 -0.04 0.89 0.94 2renA1 LYS 154 H 0.03 0.88 0.36 -0.55 8.42 9.14 2renA1 LYS 154 HA 0.02 0.02 0.37 -0.75 4.32 3.98 2renA1 LYS 154 HB2 0.03 0.11 -0.08 -0.04 1.87 1.88 2renA1 LYS 154 HB3 0.04 0.21 0.09 -0.04 1.79 2.09 2renA1 LYS 154 HG2 0.02 -0.05 0.08 -0.04 1.46 1.47 2renA1 LYS 154 HG3 0.02 0.03 -0.02 -0.04 1.46 1.45 2renA1 LYS 154 HD2 0.04 0.06 -0.05 -0.04 1.69 1.70 2renA1 LYS 154 HD3 0.03 -0.08 -0.04 -0.04 1.68 1.55 2renA1 LYS 154 HE2 0.02 -0.03 -0.01 -0.04 2.99 2.93 2renA1 LYS 154 HE3 0.03 0.08 -0.05 -0.04 2.99 3.01 2renA1 GLU 155 H 0.06 0.32 0.02 -0.55 8.60 8.45 2renA1 GLU 155 HA 0.04 0.11 0.54 -0.75 4.29 4.22 2renA1 GLU 155 HB2 0.06 -0.07 -0.21 -0.04 2.09 1.83 2renA1 GLU 155 HB3 0.03 -0.10 -0.02 -0.04 1.99 1.87 2renA1 GLU 155 HG2 0.02 0.12 -0.10 -0.04 2.34 2.34 2renA1 GLU 155 HG3 0.04 0.11 -0.24 -0.04 2.34 2.20 2renA1 ASP 156 H 0.07 0.18 0.04 -0.55 8.40 8.15 2renA1 ASP 156 HA 0.21 0.17 0.61 -0.75 4.63 4.86 2renA1 ASP 156 HB2 0.12 -0.14 0.24 -0.04 2.71 2.89 2renA1 ASP 156 HB3 0.14 0.02 0.12 -0.04 2.70 2.94 2renA1 VAL 157 H 0.29 0.66 0.00 -0.55 8.24 8.64 2renA1 VAL 157 HA 0.13 0.14 0.90 -0.75 4.13 4.54 2renA1 VAL 157 HB -0.04 0.11 -0.02 -0.04 2.12 2.13 2renA1 VAL 157 HG13 0.02 -0.04 -0.32 -0.04 0.97 0.59 2renA1 VAL 157 HG23 0.04 0.03 -0.51 -0.04 0.95 0.47 2renA1 PHE 158 H -0.31 0.63 0.37 -0.55 8.34 8.47 2renA1 PHE 158 HA -0.07 0.20 0.88 -0.75 4.62 4.87 2renA1 PHE 158 HB2 -0.25 0.09 0.17 -0.04 3.15 3.12 2renA1 PHE 158 HB3 -0.33 -0.05 0.01 -0.04 3.06 2.65 2renA1 PHE 158 HD2 -0.71 0.02 -0.15 -0.04 7.28 6.40 2renA1 PHE 158 HE2 -0.35 -0.02 -0.07 -0.04 7.38 6.89 2renA1 PHE 158 HZ -0.74 0.08 0.01 -0.04 7.32 6.63 2renA1 SER 159 H 0.02 0.61 0.43 -0.55 8.46 8.98 2renA1 SER 159 HA -0.09 0.25 1.06 -0.75 4.49 4.95 2renA1 SER 159 HB2 0.11 -0.06 0.13 -0.04 3.95 4.09 2renA1 SER 159 HB3 -0.19 0.00 0.07 -0.04 3.93 3.77 2renA1 PHE 160 H -0.29 0.48 0.36 -0.55 8.34 8.34 2renA1 PHE 160 HA -0.14 0.23 1.08 -0.75 4.62 5.03 2renA1 PHE 160 HB2 -0.28 -0.00 0.11 -0.04 3.15 2.93 2renA1 PHE 160 HB3 -0.50 0.03 -0.24 -0.04 3.06 2.30 2renA1 PHE 160 HD2 -0.28 0.00 -0.29 -0.04 7.28 6.67 2renA1 PHE 160 HE2 0.10 0.02 -0.09 -0.04 7.38 7.36 2renA1 PHE 160 HZ -0.06 -0.12 -0.16 -0.04 7.32 6.93 2renA1 TYR 161 H 0.08 0.50 0.27 -0.55 8.29 8.60 2renA1 TYR 161 HA 0.04 0.20 0.83 -0.75 4.56 4.88 2renA1 TYR 161 HB2 0.37 0.02 -0.03 -0.04 3.06 3.38 2renA1 TYR 161 HB3 0.04 -0.02 0.12 -0.04 2.98 3.08 2renA1 TYR 161 HD2 -0.08 -0.01 -0.08 -0.04 7.15 6.95 2renA1 TYR 161 HE2 -0.11 -0.01 -0.09 -0.04 6.85 6.59 2renA1 TYR 162 H -0.13 0.40 0.05 -0.55 8.29 8.06 2renA1 TYR 162 HA -0.40 0.08 0.87 -0.75 4.56 4.35 2renA1 TYR 162 HB2 -0.32 0.02 -0.16 -0.04 3.06 2.56 2renA1 TYR 162 HB3 -0.70 0.09 -0.07 -0.04 2.98 2.26 2renA1 TYR 162 HD2 -0.31 0.08 -0.07 -0.04 7.15 6.81 2renA1 TYR 162 HE2 0.02 0.03 -0.04 -0.04 6.85 6.82 2renA1 ASN 163 H -0.01 0.62 0.28 -0.55 8.53 8.87 2renA1 ASN 163 HA -0.31 0.24 0.89 -0.75 4.76 4.82 2renA1 ASN 163 HB2 -0.32 -0.08 -0.30 -0.04 2.88 2.13 2renA1 ASN 163 HB3 -0.03 -0.06 -0.16 -0.04 2.79 2.49 2renA1 ASN 163 HD21 0.15 0.19 0.05 -0.04 7.03 7.37 2renA1 ASN 163 HD22 0.13 -0.30 -0.04 -0.04 7.74 7.49 2renA1 ARG 164 H 0.00 0.16 0.14 -0.55 8.46 8.21 2renA1 ARG 164 HA 0.06 0.09 0.55 -0.75 4.34 4.28 2renA1 ARG 164 HB2 0.03 -0.00 0.21 -0.04 1.90 2.10 2renA1 ARG 164 HB3 0.03 -0.02 0.01 -0.04 1.80 1.78 2renA1 ARG 164 HG2 0.03 0.05 0.03 -0.04 1.67 1.74 2renA1 ARG 164 HG3 0.02 0.03 -0.01 -0.04 1.67 1.68 2renA1 ARG 164 HD2 0.02 -0.02 0.04 -0.04 3.22 3.22 2renA1 ARG 164 HD3 0.01 -0.02 0.02 -0.04 3.22 3.18 2renA1 ASP 165 H 0.03 0.24 0.12 -0.55 8.40 8.25 2renA1 ASP 165 HA -0.02 0.14 0.52 -0.75 4.63 4.52 2renA1 ASP 165 HB2 -0.10 -0.02 0.06 -0.04 2.71 2.61 2renA1 ASP 165 HB3 -0.05 0.02 0.07 -0.04 2.70 2.71 2renA1 SER 171 HA 0.05 -0.09 0.27 -0.75 4.49 3.96 2renA1 SER 171 HB2 0.04 -0.00 0.08 -0.04 3.95 4.03 2renA1 SER 171 HB3 0.04 -0.01 0.15 -0.04 3.93 4.08 2renA1 LEU 172 H 0.06 -0.05 0.10 -0.55 8.37 7.94 2renA1 LEU 172 HA 0.05 0.15 0.73 -0.75 4.35 4.52 2renA1 LEU 172 HB2 0.15 -0.04 -0.11 -0.04 1.64 1.60 2renA1 LEU 172 HB3 0.11 -0.07 -0.05 -0.04 1.64 1.59 2renA1 LEU 172 HG 0.16 0.11 -0.16 -0.04 1.64 1.71 2renA1 LEU 172 HD13 0.26 -0.01 -0.16 -0.04 0.93 0.98 2renA1 LEU 172 HD23 0.12 0.02 0.02 -0.04 0.89 1.01 2renA1 GLY 173 H 0.05 0.07 0.07 -0.55 8.43 8.08 2renA1 GLY 173 HA2 -0.02 0.01 0.30 -0.51 4.01 3.79 2renA1 GLY 173 HA3 -0.03 0.22 0.84 -0.51 4.01 4.53 2renA1 GLY 174 H 0.05 0.42 -0.12 -0.55 8.43 8.23 2renA1 GLY 174 HA2 -0.12 0.06 0.27 -0.51 4.01 3.72 2renA1 GLY 174 HA3 0.13 0.05 0.43 -0.51 4.01 4.10 2renA1 GLN 175 H 0.13 0.71 0.33 -0.55 8.47 9.10 2renA1 GLN 175 HA 0.01 0.10 0.66 -0.75 4.36 4.38 2renA1 GLN 175 HB2 0.16 0.13 -0.30 -0.04 2.15 2.10 2renA1 GLN 175 HB3 0.22 -0.07 -0.05 -0.04 2.02 2.09 2renA1 GLN 175 HG2 0.04 0.12 -0.28 -0.04 2.40 2.24 2renA1 GLN 175 HG3 0.08 -0.01 -0.08 -0.04 2.39 2.34 2renA1 GLN 175 HE21 0.34 -0.06 -0.16 -0.04 6.97 7.05 2renA1 GLN 175 HE22 0.25 -0.03 -0.25 -0.04 7.69 7.62 2renA1 ILE 176 H -0.19 0.51 0.31 -0.55 8.25 8.32 2renA1 ILE 176 HA -0.46 0.35 0.97 -0.75 4.18 4.28 2renA1 ILE 176 HB -1.03 -0.03 0.05 -0.04 1.89 0.84 2renA1 ILE 176 HG12 -0.48 -0.09 -0.30 -0.04 1.49 0.57 2renA1 ILE 176 HG13 -0.38 0.18 -0.10 -0.04 1.21 0.86 2renA1 ILE 176 HG23 -0.77 -0.03 -0.01 -0.04 0.93 0.08 2renA1 ILE 176 HD13 -0.87 -0.03 -0.10 -0.04 0.88 -0.15 2renA1 VAL 177 H -0.13 0.57 0.30 -0.55 8.24 8.43 2renA1 VAL 177 HA -0.02 0.33 1.02 -0.75 4.13 4.71 2renA1 VAL 177 HB 0.11 -0.09 -0.08 -0.04 2.12 2.02 2renA1 VAL 177 HG13 0.09 0.01 -0.53 -0.04 0.97 0.50 2renA1 VAL 177 HG23 0.09 0.00 -0.24 -0.04 0.95 0.76 2renA1 LEU 178 H 0.01 0.68 0.29 -0.55 8.37 8.80 2renA1 LEU 178 HA 0.16 0.08 0.91 -0.75 4.35 4.74 2renA1 LEU 178 HB2 0.03 0.01 0.14 -0.04 1.64 1.77 2renA1 LEU 178 HB3 0.17 0.05 0.03 -0.04 1.64 1.84 2renA1 LEU 178 HG -0.13 -0.02 -0.22 -0.04 1.64 1.23 2renA1 LEU 178 HD13 -0.07 0.01 -0.19 -0.04 0.93 0.64 2renA1 LEU 178 HD23 0.12 -0.00 -0.08 -0.04 0.89 0.89 2renA1 GLY 179 H 0.25 0.77 0.48 -0.55 8.43 9.39 2renA1 GLY 179 HA2 0.14 0.29 0.63 -0.51 4.01 4.57 2renA1 GLY 179 HA3 0.09 0.16 0.85 -0.51 4.01 4.61 2renA1 GLY 180 H 0.10 0.09 -0.56 -0.55 8.43 7.51 2renA1 GLY 180 HA2 0.07 0.09 0.34 -0.51 4.01 4.00 2renA1 GLY 180 HA3 0.08 0.08 0.24 -0.51 4.01 3.89 2renA1 SER 181 H 0.13 0.39 0.10 -0.55 8.46 8.54 2renA1 SER 181 HA 0.29 0.16 0.66 -0.75 4.49 4.86 2renA1 SER 181 HB2 0.30 0.01 -0.23 -0.04 3.95 4.00 2renA1 SER 181 HB3 0.42 -0.00 -0.13 -0.04 3.93 4.18 2renA1 ASP 182 H 0.36 0.19 -0.06 -0.55 8.40 8.34 2renA1 ASP 182 HA 0.06 0.22 0.73 -0.75 4.63 4.89 2renA1 ASP 182 HB2 0.14 0.05 -0.14 -0.04 2.71 2.72 2renA1 ASP 182 HB3 0.23 0.02 0.02 -0.04 2.70 2.92 2renA1 PRO 183 HA -1.14 0.10 0.36 -0.51 4.44 3.26 2renA1 PRO 183 HB2 -0.27 0.07 -0.03 -0.04 2.28 2.01 2renA1 PRO 183 HB3 -0.18 0.03 0.04 -0.04 2.02 1.87 2renA1 PRO 183 HG2 -0.15 -0.04 0.08 -0.04 2.03 1.88 2renA1 PRO 183 HG3 -0.07 0.07 0.05 -0.04 2.03 2.04 2renA1 PRO 183 HD2 -0.00 0.11 0.28 -0.04 3.68 4.02 2renA1 PRO 183 HD3 0.06 0.21 0.06 -0.04 3.65 3.94 2renA1 GLN 184 H -0.25 0.07 -0.22 -0.55 8.47 7.53 2renA1 GLN 184 HA -0.29 0.16 0.41 -0.75 4.36 3.89 2renA1 GLN 184 HB2 -0.28 0.05 0.13 -0.04 2.15 2.01 2renA1 GLN 184 HB3 -0.24 -0.04 0.07 -0.04 2.02 1.77 2renA1 GLN 184 HG2 -0.56 -0.08 -0.14 -0.04 2.40 1.58 2renA1 GLN 184 HG3 -0.90 0.05 -0.26 -0.04 2.39 1.24 2renA1 GLN 184 HE21 -0.12 -0.00 -0.03 -0.04 6.97 6.77 2renA1 GLN 184 HE22 -0.25 0.04 -0.06 -0.04 7.69 7.38 2renA1 HIS 185 H -0.32 0.33 -0.63 -0.55 8.41 7.25 2renA1 HIS 185 HA -0.31 0.25 1.06 -0.75 4.63 4.88 2renA1 HIS 185 HB2 -0.22 0.06 -0.01 -0.04 3.26 3.05 2renA1 HIS 185 HB3 -0.59 -0.06 0.15 -0.04 3.20 2.67 2renA1 HIS 185 HD2 -0.07 -0.04 -0.12 -0.04 6.97 6.69 2renA1 HIS 185 HE1 -0.08 0.06 -0.11 -0.04 7.75 7.57 2renA1 TYR 186 H -0.45 0.57 0.01 -0.55 8.29 7.87 2renA1 TYR 186 HA -0.13 0.27 0.72 -0.75 4.56 4.68 2renA1 TYR 186 HB2 -0.29 -0.01 -0.12 -0.04 3.06 2.61 2renA1 TYR 186 HB3 -0.76 -0.04 -0.21 -0.04 2.98 1.93 2renA1 TYR 186 HD2 -0.60 0.04 -0.43 -0.04 7.15 6.11 2renA1 TYR 186 HE2 -0.08 -0.01 -0.38 -0.04 6.85 6.34 2renA1 GLU 187 H 0.07 0.56 0.19 -0.55 8.60 8.87 2renA1 GLU 187 HA -0.14 0.09 0.72 -0.75 4.29 4.21 2renA1 GLU 187 HB2 -0.08 0.00 0.06 -0.04 2.09 2.03 2renA1 GLU 187 HB3 -0.06 0.04 -0.30 -0.04 1.99 1.62 2renA1 GLU 187 HG2 -0.01 -0.02 -0.09 -0.04 2.34 2.18 2renA1 GLU 187 HG3 -0.02 -0.05 -0.27 -0.04 2.34 1.95 2renA1 GLY 188 H -0.02 0.14 0.16 -0.55 8.43 8.16 2renA1 GLY 188 HA2 0.01 0.01 0.35 -0.51 4.01 3.87 2renA1 GLY 188 HA3 0.01 0.14 0.79 -0.51 4.01 4.43 2renA1 ASN 189 H 0.00 0.22 0.24 -0.55 8.53 8.45 2renA1 ASN 189 HA 0.00 0.14 0.87 -0.75 4.76 5.02 2renA1 ASN 189 HB2 0.06 -0.03 0.04 -0.04 2.88 2.90 2renA1 ASN 189 HB3 0.11 0.13 0.01 -0.04 2.79 3.00 2renA1 ASN 189 HD21 0.05 0.00 -0.08 -0.04 7.03 6.96 2renA1 ASN 189 HD22 0.05 -0.01 -0.07 -0.04 7.74 7.66 2renA1 PHE 190 H 0.13 0.06 0.08 -0.55 8.34 8.05 2renA1 PHE 190 HA -0.10 0.43 0.45 -0.75 4.62 4.64 2renA1 PHE 190 HB2 0.00 -0.03 0.01 -0.04 3.15 3.10 2renA1 PHE 190 HB3 -0.83 -0.04 -0.19 -0.04 3.06 1.96 2renA1 PHE 190 HD2 -0.25 -0.04 -0.23 -0.04 7.28 6.72 2renA1 PHE 190 HE2 -0.40 0.05 -0.31 -0.04 7.38 6.67 2renA1 PHE 190 HZ -0.09 -0.02 -0.31 -0.04 7.32 6.86 2renA1 HIS 191 H 0.05 0.37 0.37 -0.55 8.41 8.65 2renA1 HIS 191 HA 0.11 0.15 0.85 -0.75 4.63 4.98 2renA1 HIS 191 HB2 0.08 0.02 0.07 -0.04 3.26 3.39 2renA1 HIS 191 HB3 0.16 -0.00 0.15 -0.04 3.20 3.46 2renA1 HIS 191 HD2 0.17 -0.03 -0.09 -0.04 6.97 6.98 2renA1 HIS 191 HE1 0.06 -0.09 0.10 -0.04 7.75 7.77 2renA1 TYR 192 H -0.06 0.16 0.14 -0.55 8.29 7.98 2renA1 TYR 192 HA -0.20 0.33 1.10 -0.75 4.56 5.04 2renA1 TYR 192 HB2 -0.16 -0.01 -0.04 -0.04 3.06 2.81 2renA1 TYR 192 HB3 -0.16 0.00 -0.14 -0.04 2.98 2.64 2renA1 TYR 192 HD2 -0.14 0.00 -0.28 -0.04 7.15 6.69 2renA1 TYR 192 HE2 -0.19 0.03 -0.20 -0.04 6.85 6.45 2renA1 ILE 193 H -0.11 0.77 0.45 -0.55 8.25 8.81 2renA1 ILE 193 HA -0.05 0.14 0.81 -0.75 4.18 4.32 2renA1 ILE 193 HB -0.02 -0.03 0.08 -0.04 1.89 1.87 2renA1 ILE 193 HG12 0.09 -0.07 -0.25 -0.04 1.49 1.22 2renA1 ILE 193 HG13 0.08 0.01 -0.23 -0.04 1.21 1.03 2renA1 ILE 193 HG23 0.01 0.02 0.05 -0.04 0.93 0.96 2renA1 ILE 193 HD13 0.07 0.05 -0.60 -0.04 0.88 0.37 2renA1 ASN 194 H -0.01 0.14 0.18 -0.55 8.53 8.29 2renA1 ASN 194 HA 0.02 0.09 0.95 -0.75 4.76 5.07 2renA1 ASN 194 HB2 -0.00 -0.09 0.15 -0.04 2.88 2.90 2renA1 ASN 194 HB3 -0.00 0.23 -0.05 -0.04 2.79 2.92 2renA1 ASN 194 HD21 -0.01 0.01 0.00 -0.04 7.03 6.99 2renA1 ASN 194 HD22 0.00 0.22 0.16 -0.04 7.74 8.08 2renA1 LEU 195 H 0.03 0.64 0.38 -0.55 8.37 8.87 2renA1 LEU 195 HA 0.03 0.10 0.44 -0.75 4.35 4.17 2renA1 LEU 195 HB2 0.00 0.26 0.14 -0.04 1.64 2.00 2renA1 LEU 195 HB3 -0.09 -0.06 -0.11 -0.04 1.64 1.33 2renA1 LEU 195 HG -0.17 0.25 0.18 -0.04 1.64 1.86 2renA1 LEU 195 HD13 0.38 -0.02 -0.13 -0.04 0.93 1.11 2renA1 LEU 195 HD23 -0.09 -0.05 -0.09 -0.04 0.89 0.61 2renA1 ILE 196 H -0.01 0.52 0.38 -0.55 8.25 8.59 2renA1 ILE 196 HA -0.01 0.07 0.49 -0.75 4.18 3.98 2renA1 ILE 196 HB 0.00 -0.05 0.03 -0.04 1.89 1.83 2renA1 ILE 196 HG12 -0.01 0.01 0.03 -0.04 1.49 1.48 2renA1 ILE 196 HG13 0.00 0.01 0.10 -0.04 1.21 1.28 2renA1 ILE 196 HG23 -0.01 0.00 -0.15 -0.04 0.93 0.73 2renA1 ILE 196 HD13 0.01 -0.02 -0.03 -0.04 0.88 0.80 2renA1 LYS 197 H -0.09 0.25 -0.04 -0.55 8.42 8.00 2renA1 LYS 197 HA -0.08 0.06 0.48 -0.75 4.32 4.03 2renA1 LYS 197 HB2 -0.06 0.02 0.13 -0.04 1.87 1.91 2renA1 LYS 197 HB3 -0.05 -0.02 -0.31 -0.04 1.79 1.36 2renA1 LYS 197 HG2 -0.14 0.02 -0.37 -0.04 1.46 0.93 2renA1 LYS 197 HG3 -0.08 0.02 -0.07 -0.04 1.46 1.28 2renA1 LYS 197 HD2 -0.06 0.00 -0.11 -0.04 1.69 1.49 2renA1 LYS 197 HD3 -0.04 0.02 -0.09 -0.04 1.68 1.53 2renA1 LYS 197 HE2 -0.05 -0.10 -0.13 -0.04 2.99 2.67 2renA1 LYS 197 HE3 -0.08 -0.07 -0.05 -0.04 2.99 2.75 2renA1 THR 198 H -0.14 0.13 0.12 -0.55 8.28 7.84 2renA1 THR 198 HA -0.55 0.11 0.55 -0.75 4.39 3.74 2renA1 THR 198 HB -0.15 0.01 0.07 -0.04 4.32 4.21 2renA1 THR 198 HG23 -0.07 -0.00 0.05 -0.04 1.22 1.15 2renA1 GLY 199 H -1.36 0.14 0.10 -0.55 8.43 6.77 2renA1 GLY 199 HA2 -0.21 -0.16 0.33 -0.51 4.01 3.46 2renA1 GLY 199 HA3 -0.23 0.28 0.76 -0.51 4.01 4.31 2renA1 VAL 200 H -0.65 0.36 -0.24 -0.55 8.24 7.16 2renA1 VAL 200 HA -0.15 0.16 0.88 -0.75 4.13 4.26 2renA1 VAL 200 HB -0.05 -0.03 -0.23 -0.04 2.12 1.76 2renA1 VAL 200 HG13 0.04 0.01 -0.05 -0.04 0.97 0.92 2renA1 VAL 200 HG23 -0.14 0.07 -0.24 -0.04 0.95 0.60 2renA1 TRP 201 H 0.30 0.24 0.05 -0.55 7.97 8.01 2renA1 TRP 201 HA 0.16 0.11 0.53 -0.75 4.62 4.66 2renA1 TRP 201 HB2 0.23 0.10 0.21 -0.04 3.23 3.73 2renA1 TRP 201 HB3 0.28 0.04 0.25 -0.04 3.23 3.75 2renA1 TRP 201 HD1 0.21 0.19 0.04 -0.04 7.22 7.61 2renA1 TRP 201 HE1 -0.06 0.56 0.11 -0.04 10.20 10.78 2renA1 TRP 201 HE3 0.24 0.02 -0.04 -0.04 7.59 7.76 2renA1 TRP 201 HZ2 0.01 0.01 -0.09 -0.04 7.44 7.33 2renA1 TRP 201 HZ3 0.14 0.14 -0.05 -0.04 7.13 7.32 2renA1 TRP 201 HH2 0.09 -0.09 -0.40 -0.04 7.19 6.75 2renA1 GLN 202 H 0.08 0.44 -0.18 -0.55 8.47 8.26 2renA1 GLN 202 HA 0.10 0.13 0.88 -0.75 4.36 4.71 2renA1 GLN 202 HB2 0.07 -0.05 -0.26 -0.04 2.15 1.87 2renA1 GLN 202 HB3 0.01 0.04 -0.03 -0.04 2.02 2.00 2renA1 GLN 202 HG2 0.03 0.03 -0.22 -0.04 2.40 2.20 2renA1 GLN 202 HG3 0.06 -0.05 -0.28 -0.04 2.39 2.08 2renA1 GLN 202 HE21 0.05 0.38 -0.07 -0.04 6.97 7.28 2renA1 GLN 202 HE22 0.07 -0.15 -0.18 -0.04 7.69 7.39 2renA1 ILE 203 H 0.04 0.55 0.26 -0.55 8.25 8.55 2renA1 ILE 203 HA 0.02 0.18 0.77 -0.75 4.18 4.39 2renA1 ILE 203 HB 0.00 0.02 0.05 -0.04 1.89 1.92 2renA1 ILE 203 HG12 0.01 0.03 -0.10 -0.04 1.49 1.39 2renA1 ILE 203 HG13 0.01 -0.04 -0.06 -0.04 1.21 1.07 2renA1 ILE 203 HG23 0.04 0.02 -0.54 -0.04 0.93 0.41 2renA1 ILE 203 HD13 -0.05 0.01 -0.13 -0.04 0.88 0.66 2renA1 GLN 204 H 0.01 0.24 0.21 -0.55 8.47 8.38 2renA1 GLN 204 HA 0.03 0.13 1.02 -0.75 4.36 4.79 2renA1 GLN 204 HB2 0.02 0.02 0.11 -0.04 2.15 2.26 2renA1 GLN 204 HB3 0.02 -0.01 0.17 -0.04 2.02 2.15 2renA1 GLN 204 HG2 0.03 -0.03 -0.14 -0.04 2.40 2.22 2renA1 GLN 204 HG3 0.04 0.10 0.04 -0.04 2.39 2.53 2renA1 GLN 204 HE21 0.02 0.01 0.02 -0.04 6.97 6.99 2renA1 GLN 204 HE22 0.02 -0.02 0.02 -0.04 7.69 7.68 2renA1 MET 205 H 0.04 0.50 0.41 -0.55 8.47 8.88 2renA1 MET 205 HA -0.02 0.24 0.87 -0.75 4.52 4.86 2renA1 MET 205 HB2 -0.07 -0.01 -0.12 -0.04 2.15 1.91 2renA1 MET 205 HB3 0.01 0.04 -0.02 -0.04 2.03 2.01 2renA1 MET 205 HG2 -0.10 -0.16 -0.22 -0.04 2.63 2.11 2renA1 MET 205 HG3 -0.05 0.13 -0.06 -0.04 2.56 2.54 2renA1 MET 205 HE3 -0.98 -0.02 -0.22 -0.04 2.10 0.85 2renA1 LYS 206 H 0.05 0.82 0.28 -0.55 8.42 9.02 2renA1 LYS 206 HA 0.08 0.12 0.94 -0.75 4.32 4.71 2renA1 LYS 206 HB2 0.25 0.01 0.12 -0.04 1.87 2.22 2renA1 LYS 206 HB3 0.28 0.00 0.22 -0.04 1.79 2.25 2renA1 LYS 206 HG2 0.09 0.01 -0.02 -0.04 1.46 1.50 2renA1 LYS 206 HG3 0.07 0.05 -0.09 -0.04 1.46 1.45 2renA1 LYS 206 HD2 0.07 -0.04 -0.05 -0.04 1.69 1.63 2renA1 LYS 206 HD3 0.14 -0.01 -0.01 -0.04 1.68 1.76 2renA1 LYS 206 HE2 0.06 0.01 -0.01 -0.04 2.99 3.00 2renA1 LYS 206 HE3 0.05 0.05 -0.02 -0.04 2.99 3.03 2renA1 GLY 207 H 0.03 0.05 -0.18 -0.55 8.43 7.78 2renA1 GLY 207 HA2 -0.00 0.14 0.19 -0.51 4.01 3.83 2renA1 GLY 207 HA3 -0.02 0.15 0.55 -0.51 4.01 4.18 2renA1 VAL 208 H -0.08 0.40 0.15 -0.55 8.24 8.16 2renA1 VAL 208 HA -0.40 0.47 0.88 -0.75 4.13 4.33 2renA1 VAL 208 HB -0.15 -0.13 0.03 -0.04 2.12 1.83 2renA1 VAL 208 HG13 -0.81 0.02 -0.25 -0.04 0.97 -0.10 2renA1 VAL 208 HG23 -0.39 0.00 -0.35 -0.04 0.95 0.16 2renA1 SER 209 H -0.21 0.56 0.11 -0.55 8.46 8.37 2renA1 SER 209 HA -0.09 0.55 0.56 -0.75 4.49 4.76 2renA1 SER 209 HB2 -0.08 -0.05 0.01 -0.04 3.95 3.79 2renA1 SER 209 HB3 -0.06 0.03 -0.16 -0.04 3.93 3.69 2renA1 VAL 210 H -0.07 0.17 -0.16 -0.55 8.24 7.63 2renA1 VAL 210 HA -0.09 0.22 0.67 -0.75 4.13 4.17 2renA1 VAL 210 HB -0.04 -0.12 0.16 -0.04 2.12 2.09 2renA1 VAL 210 HG13 -0.03 0.07 0.13 -0.04 0.97 1.10 2renA1 VAL 210 HG23 -0.07 -0.02 -0.11 -0.04 0.95 0.71 2renA1 GLY 211 H -0.04 0.36 -0.80 -0.55 8.43 7.40 2renA1 GLY 211 HA2 -0.00 0.17 0.38 -0.51 4.01 4.05 2renA1 GLY 211 HA3 -0.01 -0.18 0.49 -0.51 4.01 3.80 2renA1 SER 212 H -0.02 -0.08 0.25 -0.55 8.46 8.06 2renA1 SER 212 HA -0.02 0.17 0.57 -0.75 4.49 4.46 2renA1 SER 212 HB2 -0.01 0.04 0.06 -0.04 3.95 4.00 2renA1 SER 212 HB3 -0.01 -0.01 0.08 -0.04 3.93 3.94 2renA1 SER 213 H -0.02 -0.18 0.13 -0.55 8.46 7.84 2renA1 SER 213 HA -0.03 0.18 0.67 -0.75 4.49 4.56 2renA1 SER 213 HB2 -0.01 -0.01 0.06 -0.04 3.95 3.94 2renA1 SER 213 HB3 -0.01 0.06 -0.02 -0.04 3.93 3.92 2renA1 THR 214 H -0.02 0.11 -0.05 -0.55 8.28 7.77 2renA1 THR 214 HA -0.02 0.08 0.33 -0.75 4.39 4.03 2renA1 THR 214 HB -0.03 -0.21 0.06 -0.04 4.32 4.09 2renA1 THR 214 HG23 -0.01 0.03 -0.05 -0.04 1.22 1.15 2renA1 LEU 215 H -0.01 0.19 0.14 -0.55 8.37 8.13 2renA1 LEU 215 HA -0.05 0.16 0.54 -0.75 4.35 4.25 2renA1 LEU 215 HB2 -0.02 0.03 -0.07 -0.04 1.64 1.53 2renA1 LEU 215 HB3 -0.02 -0.08 0.00 -0.04 1.64 1.51 2renA1 LEU 215 HG -0.04 -0.01 -0.07 -0.04 1.64 1.48 2renA1 LEU 215 HD13 -0.05 -0.04 -0.08 -0.04 0.93 0.72 2renA1 LEU 215 HD23 -0.06 0.06 -0.11 -0.04 0.89 0.74 2renA1 LEU 216 H -0.03 0.32 0.28 -0.55 8.37 8.40 2renA1 LEU 216 HA 0.06 0.18 0.78 -0.75 4.35 4.61 2renA1 LEU 216 HB2 0.07 0.07 0.10 -0.04 1.64 1.84 2renA1 LEU 216 HB3 0.25 -0.03 -0.01 -0.04 1.64 1.80 2renA1 LEU 216 HG 0.07 0.04 -0.06 -0.04 1.64 1.65 2renA1 LEU 216 HD13 0.30 0.03 -0.06 -0.04 0.93 1.15 2renA1 LEU 216 HD23 0.08 0.00 0.09 -0.04 0.89 1.02 2renA1 CYS 217 H 0.11 0.19 0.08 -0.55 8.50 8.33 2renA1 CYS 217 HA 0.10 0.14 0.18 -0.75 4.58 4.25 2renA1 CYS 217 HB2 0.27 0.08 -0.01 -0.04 2.97 3.27 2renA1 CYS 217 HB3 0.25 -0.07 -0.48 -0.04 2.97 2.64 2renA1 GLU 218 H 0.03 0.11 -0.71 -0.55 8.60 7.49 2renA1 GLU 218 HA 0.01 0.12 0.29 -0.75 4.29 3.96 2renA1 GLU 218 HB2 -0.00 -0.03 -0.10 -0.04 2.09 1.92 2renA1 GLU 218 HB3 0.00 0.00 0.13 -0.04 1.99 2.08 2renA1 GLU 218 HG2 -0.02 0.03 -0.05 -0.04 2.34 2.26 2renA1 GLU 218 HG3 -0.03 0.02 -0.04 -0.04 2.34 2.25 2renA1 ASP 219 H 0.04 0.46 0.03 -0.55 8.40 8.38 2renA1 ASP 219 HA 0.03 0.06 0.38 -0.75 4.63 4.34 2renA1 ASP 219 HB2 0.04 -0.21 -0.45 -0.04 2.71 2.06 2renA1 ASP 219 HB3 0.04 0.13 -0.09 -0.04 2.70 2.74 2renA1 GLY 220 H 0.06 0.16 0.08 -0.55 8.43 8.18 2renA1 GLY 220 HA2 0.06 0.34 0.65 -0.51 4.01 4.55 2renA1 GLY 220 HA3 0.05 0.09 0.68 -0.51 4.01 4.32 2renA1 CYS 221 H 0.09 0.71 0.52 -0.55 8.50 9.27 2renA1 CYS 221 HA 0.13 0.13 0.62 -0.75 4.58 4.70 2renA1 CYS 221 HB2 0.35 -0.01 0.15 -0.04 2.97 3.42 2renA1 CYS 221 HB3 0.22 0.02 0.03 -0.04 2.97 3.19 2renA1 LEU 222 H 0.16 0.20 0.27 -0.55 8.37 8.46 2renA1 LEU 222 HA 0.09 0.17 0.99 -0.75 4.35 4.85 2renA1 LEU 222 HB2 0.08 0.07 0.25 -0.04 1.64 2.00 2renA1 LEU 222 HB3 0.08 0.02 0.05 -0.04 1.64 1.75 2renA1 LEU 222 HG 0.04 0.02 -0.03 -0.04 1.64 1.63 2renA1 LEU 222 HD13 0.04 -0.00 -0.09 -0.04 0.93 0.84 2renA1 LEU 222 HD23 0.03 0.04 -0.04 -0.04 0.89 0.88 2renA1 ALA 223 H 0.07 0.61 0.24 -0.55 8.40 8.77 2renA1 ALA 223 HA 0.17 0.12 0.85 -0.75 4.34 4.73 2renA1 ALA 223 HB3 -0.08 -0.00 -0.11 -0.04 1.41 1.18 2renA1 LEU 224 H 0.10 0.70 0.16 -0.55 8.37 8.79 2renA1 LEU 224 HA 0.10 0.13 0.79 -0.75 4.35 4.61 2renA1 LEU 224 HB2 0.10 0.00 -0.03 -0.04 1.64 1.67 2renA1 LEU 224 HB3 0.10 0.16 0.18 -0.04 1.64 2.04 2renA1 LEU 224 HG 0.11 -0.10 -0.26 -0.04 1.64 1.35 2renA1 LEU 224 HD13 0.16 0.04 -0.15 -0.04 0.93 0.94 2renA1 LEU 224 HD23 0.10 0.00 -0.10 -0.04 0.89 0.85 2renA1 VAL 225 H 0.11 0.50 0.32 -0.55 8.24 8.62 2renA1 VAL 225 HA -0.04 0.17 0.61 -0.75 4.13 4.11 2renA1 VAL 225 HB -0.00 0.03 0.18 -0.04 2.12 2.28 2renA1 VAL 225 HG13 -0.17 -0.00 -0.09 -0.04 0.97 0.67 2renA1 VAL 225 HG23 -0.06 0.01 -0.05 -0.04 0.95 0.80 2renA1 ASP 226 H 0.02 0.59 0.15 -0.55 8.40 8.62 2renA1 ASP 226 HA 0.03 -0.08 0.88 -0.75 4.63 4.70 2renA1 ASP 226 HB2 0.09 0.09 -0.31 -0.04 2.71 2.54 2renA1 ASP 226 HB3 0.06 0.07 -0.01 -0.04 2.70 2.79 2renA1 THR 227 H -0.15 0.09 0.15 -0.55 8.28 7.82 2renA1 THR 227 HA -0.17 0.17 0.37 -0.75 4.39 4.01 2renA1 THR 227 HB -0.28 0.15 0.06 -0.04 4.32 4.20 2renA1 THR 227 HG23 -1.54 0.03 -0.03 -0.04 1.22 -0.36 2renA1 GLY 228 H 0.01 -0.17 -0.13 -0.55 8.43 7.59 2renA1 GLY 228 HA2 0.04 0.18 0.35 -0.51 4.01 4.07 2renA1 GLY 228 HA3 0.03 -0.09 0.21 -0.51 4.01 3.65 2renA1 ALA 229 H 0.06 0.17 -0.43 -0.55 8.40 7.65 2renA1 ALA 229 HA 0.07 0.03 0.62 -0.75 4.34 4.31 2renA1 ALA 229 HB3 0.09 0.05 0.06 -0.04 1.41 1.56 2renA1 SER 230 H 0.01 0.08 0.23 -0.55 8.46 8.24 2renA1 SER 230 HA -0.07 0.17 0.82 -0.75 4.49 4.65 2renA1 SER 230 HB2 -0.75 -0.02 0.11 -0.04 3.95 3.24 2renA1 SER 230 HB3 -0.18 0.20 0.32 -0.04 3.93 4.22 2renA1 TYR 231 H 0.08 -0.02 0.02 -0.55 8.29 7.81 2renA1 TYR 231 HA 0.10 0.30 0.92 -0.75 4.56 5.12 2renA1 TYR 231 HB2 -0.01 -0.11 -0.15 -0.04 3.06 2.75 2renA1 TYR 231 HB3 0.08 0.21 -0.06 -0.04 2.98 3.17 2renA1 TYR 231 HD2 0.00 -0.00 -0.06 -0.04 7.15 7.05 2renA1 TYR 231 HE2 0.13 0.02 -0.07 -0.04 6.85 6.89 2renA1 ILE 232 H 0.25 0.53 0.32 -0.55 8.25 8.80 2renA1 ILE 232 HA 0.12 0.04 0.85 -0.75 4.18 4.43 2renA1 ILE 232 HB 0.15 0.07 0.16 -0.04 1.89 2.24 2renA1 ILE 232 HG12 -0.12 -0.05 0.00 -0.04 1.49 1.28 2renA1 ILE 232 HG13 0.09 -0.11 -0.08 -0.04 1.21 1.06 2renA1 ILE 232 HG23 0.23 -0.02 -0.27 -0.04 0.93 0.83 2renA1 ILE 232 HD13 0.07 0.03 -0.15 -0.04 0.88 0.79 2renA1 SER 233 H 0.21 0.53 0.30 -0.55 8.46 8.95 2renA1 SER 233 HA 0.20 0.50 1.19 -0.75 4.49 5.63 2renA1 SER 233 HB2 0.08 -0.07 -0.06 -0.04 3.95 3.85 2renA1 SER 233 HB3 0.16 0.03 -0.24 -0.04 3.93 3.84 2renA1 GLY 234 H -0.05 0.45 0.36 -0.55 8.43 8.64 2renA1 GLY 234 HA2 -0.73 0.14 0.61 -0.51 4.01 3.52 2renA1 GLY 234 HA3 -1.19 0.03 0.25 -0.51 4.01 2.59 2renA1 SER 235 H -0.58 0.16 0.11 -0.55 8.46 7.60 2renA1 SER 235 HA -0.14 0.05 0.40 -0.75 4.49 4.04 2renA1 SER 235 HB2 -0.12 0.03 0.14 -0.04 3.95 3.96 2renA1 SER 235 HB3 -0.20 0.16 0.13 -0.04 3.93 3.97 2renA1 THR 236 H -0.07 0.19 0.21 -0.55 8.28 8.05 2renA1 THR 236 HA -0.03 0.12 0.35 -0.75 4.39 4.08 2renA1 THR 236 HB -0.02 0.10 -0.04 -0.04 4.32 4.33 2renA1 THR 236 HG23 -0.01 0.03 0.05 -0.04 1.22 1.25 2renA1 SER 237 H -0.07 0.06 -0.16 -0.55 8.46 7.75 2renA1 SER 237 HA -0.03 0.13 0.34 -0.75 4.49 4.18 2renA1 SER 237 HB2 -0.04 0.08 0.07 -0.04 3.95 4.03 2renA1 SER 237 HB3 -0.07 -0.10 0.07 -0.04 3.93 3.80 2renA1 SER 238 H -0.15 -0.01 -0.26 -0.55 8.46 7.50 2renA1 SER 238 HA -0.06 0.09 0.43 -0.75 4.49 4.19 2renA1 SER 238 HB2 -0.33 -0.13 0.13 -0.04 3.95 3.58 2renA1 SER 238 HB3 -0.54 0.06 -0.05 -0.04 3.93 3.36 2renA1 ILE 239 H -0.18 0.81 -0.13 -0.55 8.25 8.20 2renA1 ILE 239 HA -0.08 0.05 0.38 -0.75 4.18 3.78 2renA1 ILE 239 HB -0.10 0.01 -0.14 -0.04 1.89 1.62 2renA1 ILE 239 HG12 -0.31 -0.19 -0.30 -0.04 1.49 0.65 2renA1 ILE 239 HG13 -0.07 0.17 -0.25 -0.04 1.21 1.02 2renA1 ILE 239 HG23 -0.17 -0.00 -0.28 -0.04 0.93 0.44 2renA1 ILE 239 HD13 0.05 0.01 -0.22 -0.04 0.88 0.68 2renA1 GLU 240 H -0.02 0.57 -0.27 -0.55 8.60 8.33 2renA1 GLU 240 HA 0.07 0.14 0.71 -0.75 4.29 4.46 2renA1 GLU 240 HB2 0.08 -0.03 0.15 -0.04 2.09 2.25 2renA1 GLU 240 HB3 0.12 -0.04 0.05 -0.04 1.99 2.09 2renA1 GLU 240 HG2 0.01 0.21 0.10 -0.04 2.34 2.62 2renA1 GLU 240 HG3 0.02 0.00 -0.08 -0.04 2.34 2.24 2renA1 LYS 241 H -0.01 0.36 -0.29 -0.55 8.42 7.93 2renA1 LYS 241 HA 0.01 0.15 0.68 -0.75 4.32 4.40 2renA1 LYS 241 HB2 0.01 0.09 0.17 -0.04 1.87 2.10 2renA1 LYS 241 HB3 0.01 -0.00 -0.01 -0.04 1.79 1.75 2renA1 LYS 241 HG2 0.01 0.00 0.06 -0.04 1.46 1.49 2renA1 LYS 241 HG3 0.00 0.05 0.02 -0.04 1.46 1.49 2renA1 LYS 241 HD2 0.00 -0.02 0.01 -0.04 1.69 1.65 2renA1 LYS 241 HD3 0.01 -0.03 0.04 -0.04 1.68 1.66 2renA1 LYS 241 HE2 0.01 0.01 0.03 -0.04 2.99 2.99 2renA1 LYS 241 HE3 0.01 -0.00 0.02 -0.04 2.99 2.97 2renA1 LEU 242 H -0.00 0.20 -0.07 -0.55 8.37 7.95 2renA1 LEU 242 HA -0.00 0.09 0.40 -0.75 4.35 4.08 2renA1 LEU 242 HB2 0.08 -0.06 0.02 -0.04 1.64 1.64 2renA1 LEU 242 HB3 0.02 0.04 0.07 -0.04 1.64 1.73 2renA1 LEU 242 HG -0.02 0.05 -0.09 -0.04 1.64 1.54 2renA1 LEU 242 HD13 0.19 -0.03 -0.16 -0.04 0.93 0.90 2renA1 LEU 242 HD23 -0.06 0.01 -0.33 -0.04 0.89 0.47 2renA1 MET 243 H -0.07 0.28 -0.23 -0.55 8.47 7.90 2renA1 MET 243 HA -0.09 0.14 0.38 -0.75 4.52 4.20 2renA1 MET 243 HB2 -0.55 0.18 0.07 -0.04 2.15 1.80 2renA1 MET 243 HB3 0.12 -0.07 -0.05 -0.04 2.03 1.99 2renA1 MET 243 HG2 -0.31 0.01 -0.07 -0.04 2.63 2.22 2renA1 MET 243 HG3 0.03 -0.11 0.04 -0.04 2.56 2.48 2renA1 MET 243 HE3 -0.72 -0.01 -0.09 -0.04 2.10 1.24 2renA1 GLU 244 H 0.02 0.07 -0.70 -0.55 8.60 7.44 2renA1 GLU 244 HA 0.05 -0.04 0.29 -0.75 4.29 3.83 2renA1 GLU 244 HB2 0.02 0.08 0.16 -0.04 2.09 2.32 2renA1 GLU 244 HB3 0.02 0.02 0.07 -0.04 1.99 2.05 2renA1 GLU 244 HG2 0.02 -0.04 0.03 -0.04 2.34 2.31 2renA1 GLU 244 HG3 0.03 -0.00 0.10 -0.04 2.34 2.43 2renA1 ALA 245 H 0.01 0.48 -0.12 -0.55 8.40 8.23 2renA1 ALA 245 HA 0.01 0.01 0.41 -0.75 4.34 4.02 2renA1 ALA 245 HB3 0.00 -0.01 0.19 -0.04 1.41 1.55 2renA1 LEU 246 H 0.03 0.45 0.01 -0.55 8.37 8.31 2renA1 LEU 246 HA 0.04 0.01 0.51 -0.75 4.35 4.16 2renA1 LEU 246 HB2 0.01 0.22 -1.01 -0.04 1.64 0.81 2renA1 LEU 246 HB3 0.03 -0.06 -0.03 -0.04 1.64 1.54 2renA1 LEU 246 HG 0.09 -0.06 -0.03 -0.04 1.64 1.60 2renA1 LEU 246 HD13 0.04 -0.01 0.05 -0.04 0.93 0.96 2renA1 LEU 246 HD23 -0.04 0.00 -0.12 -0.04 0.89 0.70 2renA1 GLY 247 H 0.05 0.37 0.15 -0.55 8.43 8.46 2renA1 GLY 247 HA2 0.04 0.01 0.50 -0.51 4.01 4.06 2renA1 GLY 247 HA3 0.06 0.08 0.39 -0.51 4.01 4.03 2renA1 ALA 248 H 0.08 0.16 0.16 -0.55 8.40 8.25 2renA1 ALA 248 HA 0.17 -0.00 0.24 -0.75 4.34 3.99 2renA1 ALA 248 HB3 0.07 0.07 0.06 -0.04 1.41 1.57 2renA1 LYS 249 H 0.05 0.02 0.18 -0.55 8.42 8.12 2renA1 LYS 249 HA -0.00 -0.08 0.41 -0.75 4.32 3.89 2renA1 LYS 249 HB2 0.03 0.65 0.47 -0.04 1.87 2.99 2renA1 LYS 249 HB3 0.00 -0.09 0.11 -0.04 1.79 1.78 2renA1 LYS 249 HG2 0.04 -0.04 -0.23 -0.04 1.46 1.19 2renA1 LYS 249 HG3 0.04 0.05 -0.06 -0.04 1.46 1.45 2renA1 LYS 249 HD2 0.01 -0.07 0.06 -0.04 1.69 1.65 2renA1 LYS 249 HD3 0.02 -0.02 0.03 -0.04 1.68 1.66 2renA1 LYS 249 HE2 0.02 -0.04 -0.03 -0.04 2.99 2.90 2renA1 LYS 249 HE3 0.02 0.09 -0.04 -0.04 2.99 3.02 2renA1 LYS 250 H -0.06 0.02 0.13 -0.55 8.42 7.97 2renA1 LYS 250 HA -0.53 -0.02 0.43 -0.75 4.32 3.44 2renA1 LYS 250 HB2 -0.08 -0.01 0.15 -0.04 1.87 1.89 2renA1 LYS 250 HB3 -0.14 0.01 0.03 -0.04 1.79 1.66 2renA1 LYS 250 HG2 -0.14 -0.00 -0.01 -0.04 1.46 1.27 2renA1 LYS 250 HG3 -0.34 -0.06 0.07 -0.04 1.46 1.09 2renA1 LYS 250 HD2 0.02 -0.01 0.02 -0.04 1.69 1.68 2renA1 LYS 250 HD3 0.02 0.00 0.03 -0.04 1.68 1.69 2renA1 LYS 250 HE2 -0.03 0.01 0.02 -0.04 2.99 2.95 2renA1 LYS 250 HE3 -0.02 -0.02 0.01 -0.04 2.99 2.91 2renA1 ARG 251 H -0.67 0.04 0.19 -0.55 8.46 7.47 2renA1 ARG 251 HA -0.45 -0.05 0.34 -0.75 4.34 3.42 2renA1 ARG 251 HB2 -0.23 0.13 -0.19 -0.04 1.90 1.57 2renA1 ARG 251 HB3 -0.34 -0.17 0.24 -0.04 1.80 1.49 2renA1 ARG 251 HG2 -0.34 -0.03 0.09 -0.04 1.67 1.35 2renA1 ARG 251 HG3 -0.21 0.03 -0.00 -0.04 1.67 1.45 2renA1 ARG 251 HD2 -0.22 0.02 0.05 -0.04 3.22 3.02 2renA1 ARG 251 HD3 -0.24 0.03 0.05 -0.04 3.22 3.02 2renA1 LEU 252 H -0.32 0.07 0.16 -0.55 8.37 7.73 2renA1 LEU 252 HA 0.02 -0.04 0.33 -0.75 4.35 3.91 2renA1 LEU 252 HB2 -0.07 0.17 -0.38 -0.04 1.64 1.31 2renA1 LEU 252 HB3 0.00 0.08 0.11 -0.04 1.64 1.79 2renA1 LEU 252 HG 0.01 -0.09 0.08 -0.04 1.64 1.60 2renA1 LEU 252 HD13 -0.01 0.01 -0.01 -0.04 0.93 0.87 2renA1 LEU 252 HD23 0.07 0.00 -0.01 -0.04 0.89 0.92 2renA1 PHE 253 H -0.68 -0.05 -0.07 -0.55 8.34 6.99 2renA1 PHE 253 HA -0.03 -0.14 0.26 -0.75 4.62 3.95 2renA1 PHE 253 HB2 0.00 0.04 -0.07 -0.04 3.15 3.08 2renA1 PHE 253 HB3 0.02 0.07 0.05 -0.04 3.06 3.15 2renA1 PHE 253 HD2 -0.00 0.04 -0.00 -0.04 7.28 7.27 2renA1 PHE 253 HE2 -0.01 0.01 0.03 -0.04 7.38 7.37 2renA1 PHE 253 HZ -0.01 0.00 0.03 -0.04 7.32 7.30 2renA1 ASP 254 H -0.33 -0.20 -0.20 -0.55 8.40 7.12 2renA1 ASP 254 HA -0.31 -0.31 0.31 -0.75 4.63 3.56 2renA1 ASP 254 HB2 -0.11 -0.04 -0.12 -0.04 2.71 2.40 2renA1 ASP 254 HB3 -0.59 0.14 0.07 -0.04 2.70 2.28 2renA1 TYR 255 H -0.34 -0.10 0.03 -0.55 8.29 7.33 2renA1 TYR 255 HA -0.04 0.21 0.37 -0.75 4.56 4.34 2renA1 TYR 255 HB2 -0.08 0.15 -0.11 -0.04 3.06 2.99 2renA1 TYR 255 HB3 -0.00 0.02 0.08 -0.04 2.98 3.04 2renA1 TYR 255 HD2 -0.11 0.10 -0.13 -0.04 7.15 6.96 2renA1 TYR 255 HE2 -0.07 -0.08 -0.07 -0.04 6.85 6.58 2renA1 VAL 256 H 0.05 0.52 0.25 -0.55 8.24 8.51 2renA1 VAL 256 HA 0.12 0.17 0.83 -0.75 4.13 4.49 2renA1 VAL 256 HB 0.05 0.07 -0.39 -0.04 2.12 1.82 2renA1 VAL 256 HG13 0.03 -0.03 -0.01 -0.04 0.97 0.92 2renA1 VAL 256 HG23 0.09 -0.01 -0.15 -0.04 0.95 0.84 2renA1 VAL 257 H 0.10 0.62 0.26 -0.55 8.24 8.68 2renA1 VAL 257 HA 0.07 0.13 0.84 -0.75 4.13 4.41 2renA1 VAL 257 HB 0.10 -0.02 -0.11 -0.04 2.12 2.05 2renA1 VAL 257 HG13 0.07 0.10 -0.07 -0.04 0.97 1.03 2renA1 VAL 257 HG23 0.06 -0.09 0.04 -0.04 0.95 0.92 2renA1 LYS 258 H 0.05 0.11 0.14 -0.55 8.42 8.16 2renA1 LYS 258 HA 0.04 -0.00 0.47 -0.75 4.32 4.07 2renA1 LYS 258 HB2 0.03 -0.22 0.04 -0.04 1.87 1.68 2renA1 LYS 258 HB3 0.03 0.02 0.12 -0.04 1.79 1.92 2renA1 LYS 258 HG2 0.04 0.15 0.20 -0.04 1.46 1.80 2renA1 LYS 258 HG3 0.03 -0.03 0.10 -0.04 1.46 1.52 2renA1 LYS 258 HD2 0.03 -0.02 0.08 -0.04 1.69 1.74 2renA1 LYS 258 HD3 0.04 -0.01 0.14 -0.04 1.68 1.81 2renA1 LYS 258 HE2 0.04 -0.05 0.20 -0.04 2.99 3.14 2renA1 LYS 258 HE3 0.03 -0.01 0.12 -0.04 2.99 3.09 2renA1 CYS 259 H 0.03 0.09 0.17 -0.55 8.50 8.25 2renA1 CYS 259 HA 0.03 0.22 0.50 -0.75 4.58 4.58 2renA1 CYS 259 HB2 0.03 -0.09 0.08 -0.04 2.97 2.95 2renA1 CYS 259 HB3 0.03 -0.01 -0.01 -0.04 2.97 2.94 2renA1 ASN 260 H 0.02 0.02 -0.06 -0.55 8.53 7.97 2renA1 ASN 260 HA 0.01 0.10 0.47 -0.75 4.76 4.59 2renA1 ASN 260 HB2 0.02 -0.05 0.11 -0.04 2.88 2.92 2renA1 ASN 260 HB3 0.01 0.03 0.00 -0.04 2.79 2.80 2renA1 ASN 260 HD21 0.01 0.01 0.01 -0.04 7.03 7.02 2renA1 ASN 260 HD22 0.01 0.00 0.01 -0.04 7.74 7.73 2renA1 GLU 261 H 0.02 0.03 -0.41 -0.55 8.60 7.70 2renA1 GLU 261 HA 0.01 0.08 0.76 -0.75 4.29 4.39 2renA1 GLU 261 HB2 0.02 -0.03 0.10 -0.04 2.09 2.15 2renA1 GLU 261 HB3 0.02 0.07 0.05 -0.04 1.99 2.09 2renA1 GLU 261 HG2 0.01 0.03 -0.05 -0.04 2.34 2.30 2renA1 GLU 261 HG3 0.01 -0.09 -0.23 -0.04 2.34 1.99 2renA1 GLY 262 H 0.01 0.27 -0.21 -0.55 8.43 7.95 2renA1 GLY 262 HA2 0.00 0.19 0.70 -0.51 4.01 4.39 2renA1 GLY 262 HA3 -0.00 0.12 0.22 -0.51 4.01 3.83 2renA1 PRO 263 HA -0.03 0.05 0.39 -0.51 4.44 4.33 2renA1 PRO 263 HB2 -0.01 0.02 0.07 -0.04 2.28 2.33 2renA1 PRO 263 HB3 -0.01 0.02 0.10 -0.04 2.02 2.09 2renA1 PRO 263 HG2 -0.00 0.07 0.11 -0.04 2.03 2.17 2renA1 PRO 263 HG3 -0.01 0.05 0.09 -0.04 2.03 2.11 2renA1 PRO 263 HD2 -0.00 0.16 0.20 -0.04 3.68 4.00 2renA1 PRO 263 HD3 -0.00 0.28 0.17 -0.04 3.65 4.05 2renA1 THR 264 H -0.00 -0.03 -0.41 -0.55 8.28 7.30 2renA1 THR 264 HA 0.00 0.03 0.35 -0.75 4.39 4.02 2renA1 THR 264 HB 0.01 -0.10 -0.19 -0.04 4.32 4.00 2renA1 THR 264 HG23 0.01 0.01 -0.15 -0.04 1.22 1.05 2renA1 LEU 265 H 0.00 0.36 -0.35 -0.55 8.37 7.83 2renA1 LEU 265 HA 0.04 0.05 0.39 -0.75 4.35 4.07 2renA1 LEU 265 HB2 -0.00 0.17 0.13 -0.04 1.64 1.89 2renA1 LEU 265 HB3 0.08 0.05 -0.05 -0.04 1.64 1.67 2renA1 LEU 265 HG 0.11 0.00 0.03 -0.04 1.64 1.74 2renA1 LEU 265 HD13 0.05 0.02 0.04 -0.04 0.93 0.99 2renA1 LEU 265 HD23 0.10 -0.03 0.01 -0.04 0.89 0.94 2renA1 PRO 266 HA 0.03 0.08 0.53 -0.51 4.44 4.57 2renA1 PRO 266 HB2 0.03 0.05 0.09 -0.04 2.28 2.41 2renA1 PRO 266 HB3 0.02 -0.04 0.13 -0.04 2.02 2.10 2renA1 PRO 266 HG2 0.06 0.08 -0.05 -0.04 2.03 2.08 2renA1 PRO 266 HG3 0.03 0.04 0.09 -0.04 2.03 2.15 2renA1 PRO 266 HD2 0.08 0.09 0.21 -0.04 3.68 4.03 2renA1 PRO 266 HD3 0.04 0.14 0.23 -0.04 3.65 4.02 2renA1 ASP 267 H 0.04 0.07 0.16 -0.55 8.40 8.12 2renA1 ASP 267 HA 0.14 0.12 0.70 -0.75 4.63 4.83 2renA1 ASP 267 HB2 0.03 0.05 0.09 -0.04 2.71 2.85 2renA1 ASP 267 HB3 0.06 0.00 -0.01 -0.04 2.70 2.71 2renA1 ILE 268 H 0.15 0.68 0.27 -0.55 8.25 8.81 2renA1 ILE 268 HA -0.08 0.20 0.83 -0.75 4.18 4.37 2renA1 ILE 268 HB 0.00 -0.02 0.02 -0.04 1.89 1.85 2renA1 ILE 268 HG12 -0.05 0.15 -0.28 -0.04 1.49 1.26 2renA1 ILE 268 HG13 -0.05 0.06 -0.29 -0.04 1.21 0.89 2renA1 ILE 268 HG23 -0.33 -0.03 -0.24 -0.04 0.93 0.29 2renA1 ILE 268 HD13 -0.36 -0.02 -0.15 -0.04 0.88 0.32 2renA1 SER 269 H -0.19 0.44 0.12 -0.55 8.46 8.29 2renA1 SER 269 HA 0.12 0.35 1.04 -0.75 4.49 5.24 2renA1 SER 269 HB2 -0.07 -0.04 0.02 -0.04 3.95 3.81 2renA1 SER 269 HB3 0.01 0.00 -0.23 -0.04 3.93 3.67 2renA1 PHE 270 H 0.34 0.69 0.27 -0.55 8.34 9.08 2renA1 PHE 270 HA -0.14 0.16 0.68 -0.75 4.62 4.56 2renA1 PHE 270 HB2 0.03 0.06 0.12 -0.04 3.15 3.32 2renA1 PHE 270 HB3 -0.23 -0.03 -0.10 -0.04 3.06 2.66 2renA1 PHE 270 HD2 -0.24 0.13 -0.07 -0.04 7.28 7.06 2renA1 PHE 270 HE2 -0.46 0.02 -0.20 -0.04 7.38 6.69 2renA1 PHE 270 HZ -0.17 0.02 -0.19 -0.04 7.32 6.94 2renA1 HIS 271 H 0.06 0.46 0.08 -0.55 8.41 8.46 2renA1 HIS 271 HA 0.05 0.24 0.77 -0.75 4.63 4.93 2renA1 HIS 271 HB2 -0.03 -0.00 -0.05 -0.04 3.26 3.13 2renA1 HIS 271 HB3 -0.02 0.03 0.04 -0.04 3.20 3.20 2renA1 HIS 271 HD2 -0.01 -0.01 -0.19 -0.04 6.97 6.71 2renA1 HIS 271 HE1 0.01 -0.06 -0.01 -0.04 7.75 7.65 2renA1 LEU 272 H 0.06 0.46 -0.02 -0.55 8.37 8.33 2renA1 LEU 272 HA -0.08 0.14 1.06 -0.75 4.35 4.72 2renA1 LEU 272 HB2 -0.13 0.04 -0.03 -0.04 1.64 1.48 2renA1 LEU 272 HB3 -0.08 0.01 -0.12 -0.04 1.64 1.40 2renA1 LEU 272 HG -0.09 -0.09 -0.55 -0.04 1.64 0.87 2renA1 LEU 272 HD13 -0.38 0.03 -0.18 -0.04 0.93 0.36 2renA1 LEU 272 HD23 -0.27 0.00 -0.17 -0.04 0.89 0.41 2renA1 GLY 273 H -0.08 0.22 0.13 -0.55 8.43 8.16 2renA1 GLY 273 HA2 0.00 0.02 0.36 -0.51 4.01 3.88 2renA1 GLY 273 HA3 0.10 0.03 0.41 -0.51 4.01 4.04 2renA1 GLY 274 H -0.30 0.08 -0.19 -0.55 8.43 7.48 2renA1 GLY 274 HA2 0.02 -0.03 0.32 -0.51 4.01 3.80 2renA1 GLY 274 HA3 -0.05 0.15 0.81 -0.51 4.01 4.41 2renA1 LYS 275 H -0.20 0.28 -0.04 -0.55 8.42 7.91 2renA1 LYS 275 HA -0.14 0.01 0.43 -0.75 4.32 3.87 2renA1 LYS 275 HB2 -0.11 0.11 0.03 -0.04 1.87 1.86 2renA1 LYS 275 HB3 -0.52 0.04 0.01 -0.04 1.79 1.29 2renA1 LYS 275 HG2 -0.26 0.03 0.05 -0.04 1.46 1.24 2renA1 LYS 275 HG3 -0.23 -0.02 0.05 -0.04 1.46 1.22 2renA1 LYS 275 HD2 -1.03 0.14 0.13 -0.04 1.69 0.89 2renA1 LYS 275 HD3 -0.72 0.00 0.06 -0.04 1.68 0.98 2renA1 LYS 275 HE2 -0.21 0.01 -0.05 -0.04 2.99 2.71 2renA1 LYS 275 HE3 -0.26 -0.20 -0.02 -0.04 2.99 2.46 2renA1 GLU 276 H -0.21 0.19 0.16 -0.55 8.60 8.20 2renA1 GLU 276 HA 0.09 0.18 0.78 -0.75 4.29 4.59 2renA1 GLU 276 HB2 0.01 -0.01 0.00 -0.04 2.09 2.06 2renA1 GLU 276 HB3 -0.03 -0.02 -0.01 -0.04 1.99 1.88 2renA1 GLU 276 HG2 0.00 -0.03 -0.16 -0.04 2.34 2.12 2renA1 GLU 276 HG3 0.07 0.05 -0.26 -0.04 2.34 2.16 2renA1 TYR 277 H 0.22 0.79 0.24 -0.55 8.29 8.99 2renA1 TYR 277 HA -0.13 0.14 0.81 -0.75 4.56 4.63 2renA1 TYR 277 HB2 0.04 -0.07 0.13 -0.04 3.06 3.12 2renA1 TYR 277 HB3 -0.39 0.04 -0.05 -0.04 2.98 2.54 2renA1 TYR 277 HD2 -1.32 0.01 -0.14 -0.04 7.15 5.67 2renA1 TYR 277 HE2 -0.24 0.14 -0.15 -0.04 6.85 6.56 2renA1 THR 278 H 0.16 0.24 0.10 -0.55 8.28 8.23 2renA1 THR 278 HA 0.25 0.35 1.22 -0.75 4.39 5.46 2renA1 THR 278 HB 0.08 -0.03 -0.20 -0.04 4.32 4.13 2renA1 THR 278 HG23 0.03 -0.01 -0.15 -0.04 1.22 1.05 2renA1 LEU 279 H 0.23 0.68 0.35 -0.55 8.37 9.08 2renA1 LEU 279 HA 0.05 0.10 0.67 -0.75 4.35 4.42 2renA1 LEU 279 HB2 0.33 -0.01 0.04 -0.04 1.64 1.97 2renA1 LEU 279 HB3 0.20 0.04 0.02 -0.04 1.64 1.86 2renA1 LEU 279 HG 0.02 0.02 -0.07 -0.04 1.64 1.58 2renA1 LEU 279 HD13 0.35 -0.02 -0.06 -0.04 0.93 1.16 2renA1 LEU 279 HD23 0.13 0.00 -0.15 -0.04 0.89 0.83 2renA1 THR 280 H 0.02 0.15 0.16 -0.55 8.28 8.06 2renA1 THR 280 HA 0.05 0.16 0.59 -0.75 4.39 4.44 2renA1 THR 280 HB -0.03 0.06 0.09 -0.04 4.32 4.40 2renA1 THR 280 HG23 -0.00 0.03 -0.04 -0.04 1.22 1.16 2renA1 SER 281 H -0.10 0.30 0.06 -0.55 8.46 8.16 2renA1 SER 281 HA -0.92 0.09 0.31 -0.75 4.49 3.21 2renA1 SER 281 HB2 -0.18 0.04 -0.10 -0.04 3.95 3.67 2renA1 SER 281 HB3 -0.12 0.25 0.02 -0.04 3.93 4.04 2renA1 ALA 282 H -0.15 0.06 -0.23 -0.55 8.40 7.53 2renA1 ALA 282 HA -0.13 0.14 0.39 -0.75 4.34 3.99 2renA1 ALA 282 HB3 -0.07 -0.00 0.04 -0.04 1.41 1.34 2renA1 ASP 283 H -0.23 0.52 -0.50 -0.55 8.40 7.65 2renA1 ASP 283 HA -0.07 0.17 0.81 -0.75 4.63 4.79 2renA1 ASP 283 HB2 0.05 0.03 0.05 -0.04 2.71 2.79 2renA1 ASP 283 HB3 -0.04 0.05 0.11 -0.04 2.70 2.78 2renA1 TYR 284 H -0.47 0.27 0.01 -0.55 8.29 7.54 2renA1 TYR 284 HA -0.22 0.20 0.80 -0.75 4.56 4.58 2renA1 TYR 284 HB2 -0.02 -0.13 0.05 -0.04 3.06 2.92 2renA1 TYR 284 HB3 -0.00 0.02 -0.20 -0.04 2.98 2.76 2renA1 TYR 284 HD2 0.02 -0.07 -0.26 -0.04 7.15 6.80 2renA1 TYR 284 HE2 0.03 0.02 -0.24 -0.04 6.85 6.61 2renA1 VAL 285 H -0.33 0.43 0.16 -0.55 8.24 7.95 2renA1 VAL 285 HA -0.01 0.15 0.78 -0.75 4.13 4.29 2renA1 VAL 285 HB -0.12 -0.04 0.00 -0.04 2.12 1.92 2renA1 VAL 285 HG13 0.04 0.01 -0.11 -0.04 0.97 0.88 2renA1 VAL 285 HG23 -0.19 0.02 0.01 -0.04 0.95 0.75 2renA1 PHE 286 H 0.14 0.83 0.14 -0.55 8.34 8.90 2renA1 PHE 286 HA 0.04 0.12 0.33 -0.75 4.62 4.36 2renA1 PHE 286 HB2 0.09 0.21 0.16 -0.04 3.15 3.57 2renA1 PHE 286 HB3 0.06 -0.08 0.07 -0.04 3.06 3.06 2renA1 PHE 286 HD2 0.11 0.00 -0.22 -0.04 7.28 7.13 2renA1 PHE 286 HE2 0.22 -0.00 -0.16 -0.04 7.38 7.40 2renA1 PHE 286 HZ 0.15 0.01 -0.07 -0.04 7.32 7.36 2renA1 CYS 296 HA 0.11 -0.13 -4.00 -0.75 4.58 -0.19 2renA1 CYS 296 HB2 0.08 0.00 -0.02 -0.04 2.97 2.99 2renA1 CYS 296 HB3 0.11 0.10 0.34 -0.04 2.97 3.47 2renA1 THR 297 H 0.20 0.06 -0.29 -0.55 8.28 7.70 2renA1 THR 297 HA 0.21 0.26 0.82 -0.75 4.39 4.92 2renA1 THR 297 HB 0.28 -0.14 0.08 -0.04 4.32 4.49 2renA1 THR 297 HG23 0.44 0.03 -0.04 -0.04 1.22 1.60 2renA1 LEU 298 H 0.23 0.62 0.44 -0.55 8.37 9.12 2renA1 LEU 298 HA 0.12 0.22 0.94 -0.75 4.35 4.87 2renA1 LEU 298 HB2 0.18 0.19 0.23 -0.04 1.64 2.20 2renA1 LEU 298 HB3 0.15 -0.09 0.16 -0.04 1.64 1.82 2renA1 LEU 298 HG 0.27 -0.04 -0.02 -0.04 1.64 1.80 2renA1 LEU 298 HD13 0.16 -0.00 -0.06 -0.04 0.93 0.99 2renA1 LEU 298 HD23 0.10 -0.01 -0.08 -0.04 0.89 0.85 2renA1 ALA 299 H -0.02 1.22 0.41 -0.55 8.40 9.47 2renA1 ALA 299 HA 0.44 0.09 0.48 -0.75 4.34 4.60 2renA1 ALA 299 HB3 -0.17 -0.04 0.20 -0.04 1.41 1.36 2renA1 ILE 300 H 0.18 0.29 -0.55 -0.55 8.25 7.62 2renA1 ILE 300 HA 0.20 0.16 0.96 -0.75 4.18 4.74 2renA1 ILE 300 HB -0.03 0.00 -0.02 -0.04 1.89 1.79 2renA1 ILE 300 HG12 0.09 -0.02 -0.06 -0.04 1.49 1.46 2renA1 ILE 300 HG13 0.03 -0.03 -0.33 -0.04 1.21 0.84 2renA1 ILE 300 HG23 0.04 -0.01 -0.20 -0.04 0.93 0.73 2renA1 ILE 300 HD13 -0.36 -0.00 -0.14 -0.04 0.88 0.34 2renA1 HIS 301 H 0.22 0.48 0.28 -0.55 8.41 8.85 2renA1 HIS 301 HA 0.04 0.19 0.81 -0.75 4.63 4.92 2renA1 HIS 301 HB2 0.02 -0.07 -0.12 -0.04 3.26 3.05 2renA1 HIS 301 HB3 0.00 0.07 0.02 -0.04 3.20 3.24 2renA1 HIS 301 HD2 -0.09 -0.04 -0.01 -0.04 6.97 6.78 2renA1 HIS 301 HE1 -0.31 0.18 -0.02 -0.04 7.75 7.55 2renA1 ALA 302 H 0.10 0.13 0.17 -0.55 8.40 8.25 2renA1 ALA 302 HA -0.01 0.28 0.80 -0.75 4.34 4.65 2renA1 ALA 302 HB3 0.02 -0.06 -0.02 -0.04 1.41 1.31 2renA1 MET 303 H -0.04 0.35 0.07 -0.55 8.47 8.30 2renA1 MET 303 HA 0.03 0.07 0.42 -0.75 4.52 4.29 2renA1 MET 303 HB2 0.08 -0.03 -0.35 -0.04 2.15 1.81 2renA1 MET 303 HB3 0.06 -0.01 0.03 -0.04 2.03 2.07 2renA1 MET 303 HG2 0.07 0.00 0.10 -0.04 2.63 2.75 2renA1 MET 303 HG3 0.11 0.13 0.11 -0.04 2.56 2.86 2renA1 MET 303 HE3 0.07 0.01 -0.08 -0.04 2.10 2.06 2renA1 ASP 304 H -0.02 0.05 0.13 -0.55 8.40 8.01 2renA1 ASP 304 HA -0.05 -0.07 0.46 -0.75 4.63 4.22 2renA1 ASP 304 HB2 -0.01 0.10 0.15 -0.04 2.71 2.90 2renA1 ASP 304 HB3 -0.03 0.11 0.08 -0.04 2.70 2.82 2renA1 ILE 305 H -0.02 0.01 0.31 -0.55 8.25 8.00 2renA1 ILE 305 HA 0.02 0.24 0.86 -0.75 4.18 4.55 2renA1 ILE 305 HB 0.02 -0.17 0.12 -0.04 1.89 1.82 2renA1 ILE 305 HG12 0.05 -0.03 -0.06 -0.04 1.49 1.41 2renA1 ILE 305 HG13 0.02 0.56 -0.13 -0.04 1.21 1.62 2renA1 ILE 305 HG23 0.04 -0.01 -0.09 -0.04 0.93 0.84 2renA1 ILE 305 HD13 0.06 -0.01 -0.14 -0.04 0.88 0.76 2renA1 PRO 306 HA 0.00 0.12 0.49 -0.51 4.44 4.55 2renA1 PRO 306 HB2 0.01 0.33 -0.06 -0.04 2.28 2.52 2renA1 PRO 306 HB3 0.01 -0.03 0.04 -0.04 2.02 1.99 2renA1 PRO 306 HG2 0.02 0.01 -0.00 -0.04 2.03 2.02 2renA1 PRO 306 HG3 0.02 0.04 0.03 -0.04 2.03 2.07 2renA1 PRO 306 HD2 0.03 0.05 0.20 -0.04 3.68 3.92 2renA1 PRO 306 HD3 0.02 0.23 0.15 -0.04 3.65 4.02 2renA1 PRO 307 HA 0.01 0.39 0.22 -0.51 4.44 4.54 2renA1 PRO 307 HB2 0.00 -0.01 0.04 -0.04 2.28 2.26 2renA1 PRO 307 HB3 0.00 0.15 0.09 -0.04 2.02 2.22 2renA1 PRO 307 HG2 -0.00 -0.00 0.04 -0.04 2.03 2.03 2renA1 PRO 307 HG3 -0.00 0.01 0.04 -0.04 2.03 2.04 2renA1 PRO 307 HD2 0.00 0.04 0.16 -0.04 3.68 3.84 2renA1 PRO 307 HD3 -0.00 0.09 0.06 -0.04 3.65 3.76 2renA1 PRO 308 HA 0.00 0.07 0.42 -0.51 4.44 4.43 2renA1 PRO 308 HB2 -0.00 0.05 -0.05 -0.04 2.28 2.24 2renA1 PRO 308 HB3 -0.00 0.01 0.08 -0.04 2.02 2.07 2renA1 PRO 308 HG2 0.01 -0.05 0.12 -0.04 2.03 2.07 2renA1 PRO 308 HG3 0.00 0.04 0.08 -0.04 2.03 2.11 2renA1 PRO 308 HD2 0.00 0.13 0.31 -0.04 3.68 4.09 2renA1 PRO 308 HD3 0.00 0.06 0.15 -0.04 3.65 3.82 2renA1 THR 309 H 0.02 0.12 0.08 -0.55 8.28 7.95 2renA1 THR 309 HA 0.02 0.01 0.42 -0.75 4.39 4.09 2renA1 THR 309 HB 0.05 -0.02 -0.03 -0.04 4.32 4.28 2renA1 THR 309 HG23 0.05 -0.01 -0.03 -0.04 1.22 1.19 2renA1 GLY 310 H 0.02 0.64 -0.33 -0.55 8.43 8.22 2renA1 GLY 310 HA2 0.02 -0.04 0.25 -0.51 4.01 3.73 2renA1 GLY 310 HA3 0.01 0.37 -0.15 -0.51 4.01 3.73 2renA1 PRO 311 HA -0.02 0.08 0.53 -0.51 4.44 4.53 2renA1 PRO 311 HB2 -0.02 -0.02 0.12 -0.04 2.28 2.32 2renA1 PRO 311 HB3 -0.04 -0.10 0.13 -0.04 2.02 1.97 2renA1 PRO 311 HG2 -0.01 0.00 0.11 -0.04 2.03 2.10 2renA1 PRO 311 HG3 -0.01 0.03 0.04 -0.04 2.03 2.05 2renA1 PRO 311 HD2 0.01 0.03 0.24 -0.04 3.68 3.91 2renA1 PRO 311 HD3 0.00 0.20 0.53 -0.04 3.65 4.35 2renA1 THR 312 H -0.02 0.15 0.26 -0.55 8.28 8.12 2renA1 THR 312 HA 0.06 0.08 0.77 -0.75 4.39 4.55 2renA1 THR 312 HB 0.05 0.23 -0.23 -0.04 4.32 4.34 2renA1 THR 312 HG23 0.06 -0.03 -0.25 -0.04 1.22 0.96 2renA1 TRP 313 H 0.29 0.80 0.43 -0.55 7.97 8.94 2renA1 TRP 313 HA 0.03 0.12 0.72 -0.75 4.62 4.74 2renA1 TRP 313 HB2 0.01 0.02 0.18 -0.04 3.23 3.40 2renA1 TRP 313 HB3 0.02 0.02 0.12 -0.04 3.23 3.35 2renA1 TRP 313 HD1 0.03 0.07 -0.06 -0.04 7.22 7.22 2renA1 TRP 313 HE1 0.02 -0.06 -0.10 -0.04 10.20 10.02 2renA1 TRP 313 HE3 0.09 0.30 -0.26 -0.04 7.59 7.68 2renA1 TRP 313 HZ2 -0.01 -0.06 -0.13 -0.04 7.44 7.19 2renA1 TRP 313 HZ3 0.09 0.07 -0.29 -0.04 7.13 6.96 2renA1 TRP 313 HH2 -0.02 0.04 -0.20 -0.04 7.19 6.98 2renA1 ALA 314 H 0.34 0.60 0.23 -0.55 8.40 9.03 2renA1 ALA 314 HA 0.10 0.27 0.87 -0.75 4.34 4.83 2renA1 ALA 314 HB3 0.11 -0.01 -0.04 -0.04 1.41 1.44 2renA1 LEU 315 H -0.06 0.36 -0.01 -0.55 8.37 8.11 2renA1 LEU 315 HA -0.14 0.03 0.64 -0.75 4.35 4.13 2renA1 LEU 315 HB2 -0.40 -0.02 0.07 -0.04 1.64 1.25 2renA1 LEU 315 HB3 -0.87 0.07 0.02 -0.04 1.64 0.81 2renA1 LEU 315 HG -0.29 -0.11 -0.21 -0.04 1.64 1.00 2renA1 LEU 315 HD13 -0.97 0.02 -0.16 -0.04 0.93 -0.22 2renA1 LEU 315 HD23 -0.75 0.02 -0.17 -0.04 0.89 -0.05 2renA1 GLY 316 H 0.05 0.19 0.13 -0.55 8.43 8.26 2renA1 GLY 316 HA2 0.04 0.50 0.68 -0.51 4.01 4.72 2renA1 GLY 316 HA3 0.07 0.04 0.25 -0.51 4.01 3.86 2renA1 ALA 317 H 0.09 1.27 0.21 -0.55 8.40 9.43 2renA1 ALA 317 HA 0.22 -0.06 0.31 -0.75 4.34 4.05 2renA1 ALA 317 HB3 0.07 0.11 0.15 -0.04 1.41 1.70 2renA1 THR 318 H 0.08 0.27 -0.22 -0.55 8.28 7.86 2renA1 THR 318 HA 0.07 0.11 0.37 -0.75 4.39 4.18 2renA1 THR 318 HB 0.12 -0.14 -0.02 -0.04 4.32 4.24 2renA1 THR 318 HG23 0.08 0.01 0.05 -0.04 1.22 1.32 2renA1 PHE 319 H 0.16 0.24 -0.48 -0.55 8.34 7.71 2renA1 PHE 319 HA -0.04 0.07 0.50 -0.75 4.62 4.39 2renA1 PHE 319 HB2 -0.20 -0.09 -0.01 -0.04 3.15 2.80 2renA1 PHE 319 HB3 -0.12 0.10 -0.03 -0.04 3.06 2.97 2renA1 PHE 319 HD2 -0.31 0.03 -0.18 -0.04 7.28 6.78 2renA1 PHE 319 HE2 -0.75 0.02 -0.12 -0.04 7.38 6.49 2renA1 PHE 319 HZ -1.24 -0.01 -0.12 -0.04 7.32 5.91 2renA1 ILE 320 H 0.13 0.32 -0.07 -0.55 8.25 8.08 2renA1 ILE 320 HA 0.03 0.20 0.35 -0.75 4.18 4.01 2renA1 ILE 320 HB -0.13 0.04 -0.01 -0.04 1.89 1.75 2renA1 ILE 320 HG12 -0.05 -0.03 -0.06 -0.04 1.49 1.31 2renA1 ILE 320 HG13 0.06 0.07 -0.11 -0.04 1.21 1.18 2renA1 ILE 320 HG23 -0.39 -0.04 -0.08 -0.04 0.93 0.38 2renA1 ILE 320 HD13 -0.32 -0.03 -0.24 -0.04 0.88 0.25 2renA1 ARG 321 H -0.01 0.62 -0.44 -0.55 8.46 8.08 2renA1 ARG 321 HA -0.04 0.08 0.31 -0.75 4.34 3.93 2renA1 ARG 321 HB2 0.00 0.15 0.01 -0.04 1.90 2.03 2renA1 ARG 321 HB3 -0.04 -0.01 -0.06 -0.04 1.80 1.65 2renA1 ARG 321 HG2 -0.01 0.02 -0.27 -0.04 1.67 1.37 2renA1 ARG 321 HG3 0.02 -0.06 -0.19 -0.04 1.67 1.40 2renA1 ARG 321 HD2 0.05 0.05 -0.07 -0.04 3.22 3.22 2renA1 ARG 321 HD3 0.10 -0.11 -0.29 -0.04 3.22 2.87 2renA1 LYS 322 H -0.23 0.37 -0.22 -0.55 8.42 7.79 2renA1 LYS 322 HA -0.31 0.04 0.62 -0.75 4.32 3.92 2renA1 LYS 322 HB2 -0.32 -0.02 0.11 -0.04 1.87 1.60 2renA1 LYS 322 HB3 -0.68 0.11 0.10 -0.04 1.79 1.29 2renA1 LYS 322 HG2 -0.72 -0.03 -0.04 -0.04 1.46 0.64 2renA1 LYS 322 HG3 -1.30 -0.04 0.02 -0.04 1.46 0.09 2renA1 LYS 322 HD2 -0.29 0.04 0.11 -0.04 1.69 1.52 2renA1 LYS 322 HD3 -0.22 -0.06 0.08 -0.04 1.68 1.44 2renA1 LYS 322 HE2 -0.28 0.06 0.10 -0.04 2.99 2.84 2renA1 LYS 322 HE3 -0.19 -0.01 0.09 -0.04 2.99 2.84 2renA1 PHE 323 H -0.25 0.38 -0.08 -0.55 8.34 7.84 2renA1 PHE 323 HA -0.02 0.20 1.39 -0.75 4.62 5.43 2renA1 PHE 323 HB2 -0.36 -0.09 -0.05 -0.04 3.15 2.61 2renA1 PHE 323 HB3 0.04 -0.03 -0.10 -0.04 3.06 2.94 2renA1 PHE 323 HD2 -0.86 0.01 -0.22 -0.04 7.28 6.18 2renA1 PHE 323 HE2 -0.21 -0.03 -0.15 -0.04 7.38 6.95 2renA1 PHE 323 HZ -0.04 -0.01 -0.04 -0.04 7.32 7.18 2renA1 TYR 324 H 0.30 0.37 0.20 -0.55 8.29 8.61 2renA1 TYR 324 HA 0.16 0.17 0.54 -0.75 4.56 4.67 2renA1 TYR 324 HB2 0.17 0.10 0.04 -0.04 3.06 3.33 2renA1 TYR 324 HB3 0.04 -0.15 -0.00 -0.04 2.98 2.82 2renA1 TYR 324 HD2 0.29 0.01 -0.22 -0.04 7.15 7.19 2renA1 TYR 324 HE2 0.21 -0.04 -0.18 -0.04 6.85 6.80 2renA1 THR 325 H -0.25 0.33 0.38 -0.55 8.28 8.19 2renA1 THR 325 HA -0.04 0.27 1.20 -0.75 4.39 5.06 2renA1 THR 325 HB -0.27 -0.09 0.07 -0.04 4.32 3.99 2renA1 THR 325 HG23 -1.07 -0.01 -0.14 -0.04 1.22 -0.04 2renA1 GLU 326 H -0.43 0.75 0.29 -0.55 8.60 8.66 2renA1 GLU 326 HA -0.27 0.16 0.85 -0.75 4.29 4.27 2renA1 GLU 326 HB2 -0.64 0.01 -0.14 -0.04 2.09 1.28 2renA1 GLU 326 HB3 -0.61 -0.11 0.06 -0.04 1.99 1.29 2renA1 GLU 326 HG2 -0.22 -0.03 -0.42 -0.04 2.34 1.62 2renA1 GLU 326 HG3 -0.22 0.07 -0.23 -0.04 2.34 1.92 2renA1 PHE 327 H -0.38 0.75 0.40 -0.55 8.34 8.55 2renA1 PHE 327 HA -0.66 0.12 0.85 -0.75 4.62 4.17 2renA1 PHE 327 HB2 -1.89 0.06 0.28 -0.04 3.15 1.57 2renA1 PHE 327 HB3 -1.99 -0.01 0.06 -0.04 3.06 1.09 2renA1 PHE 327 HD2 -1.74 0.07 0.03 -0.04 7.28 5.60 2renA1 PHE 327 HE2 -0.65 0.10 -0.02 -0.04 7.38 6.77 2renA1 PHE 327 HZ -0.59 -0.04 -0.11 -0.04 7.32 6.54 2renA1 ASP 328 H 0.08 0.68 0.29 -0.55 8.40 8.91 2renA1 ASP 328 HA 0.09 0.13 1.06 -0.75 4.63 5.16 2renA1 ASP 328 HB2 -0.03 0.04 -0.21 -0.04 2.71 2.47 2renA1 ASP 328 HB3 0.04 0.01 0.05 -0.04 2.70 2.76 2renA1 ARG 329 H 0.28 0.51 0.34 -0.55 8.46 9.04 2renA1 ARG 329 HA 0.25 0.07 0.65 -0.75 4.34 4.55 2renA1 ARG 329 HB2 0.47 0.17 0.11 -0.04 1.90 2.61 2renA1 ARG 329 HB3 0.24 0.00 -0.00 -0.04 1.80 2.00 2renA1 ARG 329 HG2 0.60 -0.04 -0.14 -0.04 1.67 2.05 2renA1 ARG 329 HG3 0.49 0.01 -0.08 -0.04 1.67 2.04 2renA1 ARG 329 HD2 0.08 0.02 0.09 -0.04 3.22 3.37 2renA1 ARG 329 HD3 -0.37 -0.02 -0.03 -0.04 3.22 2.76 2renA1 ARG 330 H 0.12 0.23 0.07 -0.55 8.46 8.33 2renA1 ARG 330 HA 0.06 0.10 0.43 -0.75 4.34 4.17 2renA1 ARG 330 HB2 0.04 -0.01 0.12 -0.04 1.90 2.01 2renA1 ARG 330 HB3 0.03 -0.06 0.05 -0.04 1.80 1.78 2renA1 ARG 330 HG2 0.00 0.01 -0.03 -0.04 1.67 1.61 2renA1 ARG 330 HG3 -0.00 0.02 -0.30 -0.04 1.67 1.34 2renA1 ARG 330 HD2 -0.00 0.01 -0.03 -0.04 3.22 3.16 2renA1 ARG 330 HD3 0.01 0.02 0.12 -0.04 3.22 3.33 2renA1 ASN 331 H 0.05 -0.00 -0.43 -0.55 8.53 7.60 2renA1 ASN 331 HA 0.01 0.25 0.81 -0.75 4.76 5.08 2renA1 ASN 331 HB2 -0.05 -0.05 -0.12 -0.04 2.88 2.61 2renA1 ASN 331 HB3 -0.05 0.04 0.03 -0.04 2.79 2.77 2renA1 ASN 331 HD21 -0.09 0.03 -0.12 -0.04 7.03 6.81 2renA1 ASN 331 HD22 -0.16 -0.02 -0.13 -0.04 7.74 7.40 2renA1 ASN 332 H 0.10 0.17 -0.14 -0.55 8.53 8.12 2renA1 ASN 332 HA 0.17 0.16 0.48 -0.75 4.76 4.82 2renA1 ASN 332 HB2 0.02 0.09 -0.01 -0.04 2.88 2.94 2renA1 ASN 332 HB3 0.01 -0.09 0.20 -0.04 2.79 2.87 2renA1 ASN 332 HD21 0.06 -0.01 0.00 -0.04 7.03 7.04 2renA1 ASN 332 HD22 0.04 -0.03 -0.25 -0.04 7.74 7.46 2renA1 ARG 333 H 0.17 0.29 0.18 -0.55 8.46 8.55 2renA1 ARG 333 HA 0.06 0.07 0.85 -0.75 4.34 4.58 2renA1 ARG 333 HB2 0.04 0.07 -0.11 -0.04 1.90 1.86 2renA1 ARG 333 HB3 0.01 0.15 -0.34 -0.04 1.80 1.58 2renA1 ARG 333 HG2 -0.01 -0.14 -0.20 -0.04 1.67 1.28 2renA1 ARG 333 HG3 0.10 -0.01 -0.34 -0.04 1.67 1.38 2renA1 ARG 333 HD2 -0.12 0.04 -0.19 -0.04 3.22 2.90 2renA1 ARG 333 HD3 -0.13 0.05 -0.19 -0.04 3.22 2.91 2renA1 ILE 334 H -0.08 0.82 0.41 -0.55 8.25 8.85 2renA1 ILE 334 HA -0.45 0.19 0.96 -0.75 4.18 4.12 2renA1 ILE 334 HB -0.47 -0.02 0.08 -0.04 1.89 1.44 2renA1 ILE 334 HG12 -0.60 -0.01 -0.01 -0.04 1.49 0.84 2renA1 ILE 334 HG13 0.07 -0.06 -0.47 -0.04 1.21 0.72 2renA1 ILE 334 HG23 -1.31 0.02 -0.06 -0.04 0.93 -0.46 2renA1 ILE 334 HD13 -0.05 -0.02 -0.17 -0.04 0.88 0.60 2renA1 GLY 335 H -0.63 0.70 0.41 -0.55 8.43 8.37 2renA1 GLY 335 HA2 -0.75 0.33 0.95 -0.51 4.01 4.03 2renA1 GLY 335 HA3 -1.31 -0.06 0.23 -0.51 4.01 2.36 2renA1 PHE 336 H 0.01 0.38 0.35 -0.55 8.34 8.52 2renA1 PHE 336 HA 0.10 0.32 0.87 -0.75 4.62 5.15 2renA1 PHE 336 HB2 -0.13 -0.01 -0.06 -0.04 3.15 2.90 2renA1 PHE 336 HB3 0.01 0.10 -0.02 -0.04 3.06 3.11 2renA1 PHE 336 HD2 -0.21 0.09 -0.14 -0.04 7.28 6.98 2renA1 PHE 336 HE2 -0.31 -0.03 -0.14 -0.04 7.38 6.86 2renA1 PHE 336 HZ -0.37 -0.06 -0.14 -0.04 7.32 6.71 2renA1 ALA 337 H 0.24 0.76 0.29 -0.55 8.40 9.14 2renA1 ALA 337 HA -0.04 0.21 0.69 -0.75 4.34 4.44 2renA1 ALA 337 HB3 -0.66 -0.00 -0.25 -0.04 1.41 0.46 2renA1 LEU 338 H 0.07 0.27 0.22 -0.55 8.37 8.38 2renA1 LEU 338 HA 0.09 0.18 0.77 -0.75 4.35 4.64 2renA1 LEU 338 HB2 0.10 -0.06 0.21 -0.04 1.64 1.85 2renA1 LEU 338 HB3 0.03 0.02 0.20 -0.04 1.64 1.85 2renA1 LEU 338 HG -0.06 0.23 0.13 -0.04 1.64 1.90 2renA1 LEU 338 HD13 -0.06 -0.01 0.11 -0.04 0.93 0.94 2renA1 LEU 338 HD23 -0.01 -0.03 0.02 -0.04 0.89 0.82 2renA1 ALA 339 H -0.04 0.52 0.38 -0.55 8.40 8.72 2renA1 ALA 339 HA 0.21 0.09 0.62 -0.75 4.34 4.51 2renA1 ALA 339 HB3 0.13 -0.01 0.01 -0.04 1.41 1.49 2renA1 ARG 340 H 0.11 0.34 -0.04 -0.55 8.46 8.31 2renA1 ARG 340 HA 0.06 0.11 0.30 -0.75 4.34 4.06 2renA1 ARG 340 HB2 -0.01 -0.03 -0.03 -0.04 1.90 1.79 2renA1 ARG 340 HB3 -0.01 0.09 -0.36 -0.04 1.80 1.47 2renA1 ARG 340 HG2 -0.08 -0.05 -0.64 -0.04 1.67 0.86 2renA1 ARG 340 HG3 -0.07 -0.04 -0.27 -0.04 1.67 1.25 2renA1 ARG 340 HD2 -0.09 0.01 -0.03 -0.04 3.22 3.07 2renA1 ARG 340 HD3 -0.08 -0.09 -0.11 -0.04 3.22 2.90