============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. TYR 19 0.840 21.699 32.430 58.681 -99.200 -91.000 PHE 42 1.000 23.490 15.802 62.249 -99.200 -91.000 PHE 43 1.000 21.125 24.627 61.397 -99.200 -91.000 TYR 45 0.840 16.979 30.333 63.113 -99.200 -91.000 HIS 47 0.900 12.665 33.050 62.112 -99.200 -91.000 PHE 80 1.000 24.373 23.905 52.706 -99.200 -91.000 TRP 85 1.040 6.005 21.388 63.772 -99.200 -91.000 TRP6 85 1.020 5.528 22.808 65.595 -99.200 -91.000 HIS 94 0.900 4.574 32.562 74.071 -99.200 -91.000 HIS 95 0.900 9.835 31.990 77.793 -99.200 -91.000 TYR 100 0.840 22.132 14.635 67.748 -99.200 -91.000 HIS 101 0.900 19.454 10.107 72.486 -99.200 -91.000 PHE 104 1.000 14.270 10.914 65.623 -99.200 -91.000 TYR 105 0.840 19.474 19.704 67.632 -99.200 -91.000 TYR 106 0.840 14.087 13.477 70.994 -99.200 -91.000 HIS 113 0.900 -4.464 28.582 74.547 -99.200 -91.000 TRP 124 1.040 1.577 29.126 80.792 -99.200 -91.000 TRP6 124 1.020 3.207 27.789 81.855 -99.200 -91.000 TYR 144 0.840 13.776 9.236 60.908 -99.200 -91.000 TYR 148 0.840 2.457 19.611 69.352 -99.200 -91.000 TYR 159 0.840 10.715 25.073 92.494 -99.200 -91.000 TYR 165 0.840 13.318 31.999 81.657 -99.200 -91.000 TYR 177 0.840 19.778 15.439 82.856 -99.200 -91.000 PHE 178 1.000 14.757 19.493 76.309 -99.200 -91.000 PHE 183 1.000 6.696 30.285 86.122 -99.200 -91.000 PHE 189 1.000 12.988 32.069 97.741 -99.200 -91.000 TYR 191 0.840 17.611 34.245 100.458 -99.200 -91.000 HIS 200 0.900 31.943 43.776 102.172 -99.200 -91.000 TYR 203 0.840 23.549 55.262 100.222 -99.200 -91.000 HIS 220 0.900 0.800 33.677 93.810 -99.200 -91.000 TYR 221 0.840 3.198 31.415 90.614 -99.200 -91.000 TYR 230 0.840 11.545 12.817 76.864 -99.200 -91.000 PHE 242 1.000 12.513 22.882 88.300 -99.200 -91.000 TYR 259 0.840 28.518 25.337 77.292 -99.200 -91.000 PHE 267 1.000 22.997 26.031 84.201 -99.200 -91.000 TYR 268 0.840 25.225 32.977 80.142 -99.200 -91.000 TYR 272 0.840 17.174 37.938 82.003 -99.200 -91.000 TRP 274 1.040 21.175 41.085 93.696 -99.200 -91.000 TRP6 274 1.020 23.187 40.247 94.602 -99.200 -91.000 TRP 293 1.040 27.499 29.720 90.230 -99.200 -91.000 TRP6 293 1.020 26.327 29.494 88.190 -99.200 -91.000 PHE 310 1.000 32.177 46.202 84.322 -99.200 -91.000 TRP 318 1.040 13.184 40.071 85.570 -99.200 -91.000 TRP6 318 1.020 11.540 40.291 83.881 -99.200 -91.000 TYR 322 0.840 21.352 33.220 76.843 -99.200 -91.000 PHE 326 1.000 30.660 25.569 73.489 -99.200 -91.000 TRP 333 1.040 37.364 26.463 83.391 -99.200 -91.000 TRP6 333 1.020 35.343 27.469 82.714 -99.200 -91.000 TYR 339 0.840 32.705 42.480 75.944 -99.200 -91.000 PHE 351 1.000 33.957 35.387 69.224 -99.200 -91.000 PHE 354 1.000 35.027 35.224 78.683 -99.200 -91.000 TYR 361 0.840 42.810 35.625 71.642 -99.200 -91.000 PHE 380 1.000 31.537 24.358 64.830 -99.200 -91.000 TRP 387 1.040 36.348 26.891 62.062 -99.200 -91.000 TRP6 387 1.020 36.015 28.823 60.764 -99.200 -91.000 TYR 395 0.840 16.842 44.278 67.624 -99.200 -91.000 PHE 407 1.000 28.604 38.820 63.131 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2x9mC1 GLN 187 HA -0.01 -0.12 0.21 -0.75 4.36 3.70 2x9mC1 GLN 187 HB2 -0.00 -0.06 0.06 -0.04 2.15 2.11 2x9mC1 GLN 187 HB3 -0.01 -0.04 0.00 -0.04 2.02 1.94 2x9mC1 GLN 187 HG2 -0.01 -0.06 -0.03 -0.04 2.40 2.26 2x9mC1 GLN 187 HG3 -0.00 0.24 -0.04 -0.04 2.39 2.54 2x9mC1 GLN 187 HE21 0.01 -0.05 0.02 -0.04 6.97 6.91 2x9mC1 GLN 187 HE22 0.00 0.00 0.02 -0.04 7.69 7.68 2x9mC1 ILE 188 H 0.00 0.08 0.12 -0.55 8.25 7.90 2x9mC1 ILE 188 HA -0.02 0.25 0.70 -0.75 4.18 4.35 2x9mC1 ILE 188 HB 0.04 0.06 0.09 -0.04 1.89 2.04 2x9mC1 ILE 188 HG12 0.01 -0.13 -0.10 -0.04 1.49 1.22 2x9mC1 ILE 188 HG13 0.05 0.09 -0.50 -0.04 1.21 0.81 2x9mC1 ILE 188 HG23 -0.02 -0.01 -0.21 -0.04 0.93 0.65 2x9mC1 ILE 188 HD13 0.01 -0.01 -0.16 -0.04 0.88 0.67 2x9mC1 CYS 189 H 0.01 0.52 0.15 -0.55 8.50 8.64 2x9mC1 CYS 189 HA 0.01 0.01 0.54 -0.75 4.58 4.39 2x9mC1 CYS 189 HB2 -0.12 0.09 -0.47 -0.04 2.97 2.44 2x9mC1 CYS 189 HB3 -0.16 0.04 -0.01 -0.04 2.97 2.81 2x9mC1 LEU 190 H 0.06 0.06 0.16 -0.55 8.37 8.11 2x9mC1 LEU 190 HA 0.10 0.22 0.77 -0.75 4.35 4.68 2x9mC1 LEU 190 HB2 0.04 -0.02 0.04 -0.04 1.64 1.66 2x9mC1 LEU 190 HB3 0.04 -0.02 0.10 -0.04 1.64 1.72 2x9mC1 LEU 190 HG 0.04 0.13 -0.39 -0.04 1.64 1.38 2x9mC1 LEU 190 HD13 0.02 -0.02 -0.03 -0.04 0.93 0.86 2x9mC1 LEU 190 HD23 0.02 0.01 -0.10 -0.04 0.89 0.78 2x9mC1 GLN 191 H 0.10 0.02 -0.02 -0.55 8.47 8.03 2x9mC1 GLN 191 HA 0.06 0.13 0.74 -0.75 4.36 4.54 2x9mC1 GLN 191 HB2 0.05 -0.04 0.01 -0.04 2.15 2.13 2x9mC1 GLN 191 HB3 0.04 0.11 -0.04 -0.04 2.02 2.09 2x9mC1 GLN 191 HG2 0.03 0.05 -0.01 -0.04 2.40 2.43 2x9mC1 GLN 191 HG3 0.03 -0.09 -0.06 -0.04 2.39 2.23 2x9mC1 GLN 191 HE21 0.00 -0.02 -0.01 -0.04 6.97 6.91 2x9mC1 GLN 191 HE22 0.01 0.01 -0.01 -0.04 7.69 7.66 2x9mC1 LYS 192 H 0.06 0.09 0.15 -0.55 8.42 8.17 2x9mC1 LYS 192 HA 0.11 0.18 0.76 -0.75 4.32 4.62 2x9mC1 LYS 192 HB2 0.04 -0.02 0.09 -0.04 1.87 1.95 2x9mC1 LYS 192 HB3 0.04 -0.10 0.19 -0.04 1.79 1.88 2x9mC1 LYS 192 HG2 0.04 -0.12 -0.18 -0.04 1.46 1.16 2x9mC1 LYS 192 HG3 0.06 0.26 0.01 -0.04 1.46 1.75 2x9mC1 LYS 192 HD2 0.03 0.04 0.01 -0.04 1.69 1.73 2x9mC1 LYS 192 HD3 0.03 -0.09 0.01 -0.04 1.68 1.58 2x9mC1 LYS 192 HE2 0.02 -0.09 -0.02 -0.04 2.99 2.87 2x9mC1 LYS 192 HE3 0.04 0.05 -0.03 -0.04 2.99 3.00 2x9mC1 THR 193 H 0.16 0.85 0.39 -0.55 8.28 9.12 2x9mC1 THR 193 HA 0.05 0.05 0.95 -0.75 4.39 4.69 2x9mC1 THR 193 HB 0.04 0.01 -0.27 -0.04 4.32 4.06 2x9mC1 THR 193 HG23 0.08 0.08 -0.02 -0.04 1.22 1.32 2x9mC1 THR 194 H 0.04 0.10 0.18 -0.55 8.28 8.04 2x9mC1 THR 194 HA 0.06 0.26 0.92 -0.75 4.39 4.88 2x9mC1 THR 194 HB 0.03 0.02 0.20 -0.04 4.32 4.52 2x9mC1 THR 194 HG23 0.04 0.01 -0.03 -0.04 1.22 1.20 2x9mC1 SER 195 H 0.02 -0.01 -0.08 -0.55 8.46 7.84 2x9mC1 SER 195 HA -0.00 0.07 0.61 -0.75 4.49 4.41 2x9mC1 SER 195 HB2 -0.04 0.10 -0.03 -0.04 3.95 3.95 2x9mC1 SER 195 HB3 -0.03 -0.03 -0.08 -0.04 3.93 3.74 2x9mC1 THR 196 H -0.02 0.11 0.06 -0.55 8.28 7.88 2x9mC1 THR 196 HA -0.00 0.18 0.65 -0.75 4.39 4.46 2x9mC1 THR 196 HB -0.01 0.10 0.14 -0.04 4.32 4.50 2x9mC1 THR 196 HG23 0.00 0.01 0.05 -0.04 1.22 1.24 2x9mC1 ILE 197 H -0.06 0.39 -0.13 -0.55 8.25 7.89 2x9mC1 ILE 197 HA -0.09 0.16 0.60 -0.75 4.18 4.10 2x9mC1 ILE 197 HB -0.22 0.01 0.03 -0.04 1.89 1.67 2x9mC1 ILE 197 HG12 -0.20 0.09 -0.05 -0.04 1.49 1.29 2x9mC1 ILE 197 HG13 -0.35 0.01 -0.23 -0.04 1.21 0.60 2x9mC1 ILE 197 HG23 -0.12 -0.03 -0.34 -0.04 0.93 0.40 2x9mC1 ILE 197 HD13 -0.78 0.01 -0.05 -0.04 0.88 0.01 2x9mC1 LEU 198 H -0.03 0.09 -0.06 -0.55 8.37 7.82 2x9mC1 LEU 198 HA -0.09 0.20 0.83 -0.75 4.35 4.54 2x9mC1 LEU 198 HB2 0.06 0.01 -0.03 -0.04 1.64 1.64 2x9mC1 LEU 198 HB3 -0.01 0.00 -0.14 -0.04 1.64 1.45 2x9mC1 LEU 198 HG 0.18 -0.06 -0.18 -0.04 1.64 1.54 2x9mC1 LEU 198 HD13 0.37 -0.02 -0.23 -0.04 0.93 1.01 2x9mC1 LEU 198 HD23 0.07 0.03 -0.08 -0.04 0.89 0.86 2x9mC1 LYS 199 H -0.13 0.19 -0.04 -0.55 8.42 7.89 2x9mC1 LYS 199 HA -0.04 0.22 0.82 -0.75 4.32 4.56 2x9mC1 LYS 199 HB2 -0.07 -0.05 0.11 -0.04 1.87 1.82 2x9mC1 LYS 199 HB3 -0.03 0.01 0.04 -0.04 1.79 1.76 2x9mC1 LYS 199 HG2 -0.04 0.15 -0.39 -0.04 1.46 1.14 2x9mC1 LYS 199 HG3 -0.06 0.02 -0.28 -0.04 1.46 1.09 2x9mC1 LYS 199 HD2 -0.03 -0.06 -0.03 -0.04 1.69 1.52 2x9mC1 LYS 199 HD3 -0.02 -0.01 -0.03 -0.04 1.68 1.58 2x9mC1 LYS 199 HE2 -0.02 -0.08 -0.01 -0.04 2.99 2.84 2x9mC1 LYS 199 HE3 -0.03 0.18 -0.04 -0.04 2.99 3.06 2x9mC1 PRO 200 HA -0.07 0.07 0.51 -0.51 4.44 4.44 2x9mC1 PRO 200 HB2 0.02 0.04 -0.04 -0.04 2.28 2.26 2x9mC1 PRO 200 HB3 -0.11 -0.02 -0.04 -0.04 2.02 1.81 2x9mC1 PRO 200 HG2 -0.11 0.13 -0.08 -0.04 2.03 1.93 2x9mC1 PRO 200 HG3 -0.21 -0.02 -0.10 -0.04 2.03 1.66 2x9mC1 PRO 200 HD2 -0.04 0.15 0.07 -0.04 3.68 3.82 2x9mC1 PRO 200 HD3 -0.08 0.10 -0.50 -0.04 3.65 3.13 2x9mC1 ARG 201 H 0.10 0.47 0.36 -0.55 8.46 8.83 2x9mC1 ARG 201 HA 0.07 0.12 0.80 -0.75 4.34 4.58 2x9mC1 ARG 201 HB2 0.05 -0.03 0.11 -0.04 1.90 1.98 2x9mC1 ARG 201 HB3 0.07 0.08 -0.03 -0.04 1.80 1.88 2x9mC1 ARG 201 HG2 0.15 0.10 0.12 -0.04 1.67 2.00 2x9mC1 ARG 201 HG3 0.06 0.08 -0.32 -0.04 1.67 1.44 2x9mC1 ARG 201 HD2 0.26 0.03 0.00 -0.04 3.22 3.47 2x9mC1 ARG 201 HD3 0.21 -0.06 -0.05 -0.04 3.22 3.28 2x9mC1 LEU 202 H -0.01 0.12 0.14 -0.55 8.37 8.07 2x9mC1 LEU 202 HA -0.26 0.13 0.73 -0.75 4.35 4.20 2x9mC1 LEU 202 HB2 -0.08 -0.06 0.17 -0.04 1.64 1.64 2x9mC1 LEU 202 HB3 -0.10 0.06 -0.02 -0.04 1.64 1.53 2x9mC1 LEU 202 HG -0.26 0.04 0.05 -0.04 1.64 1.42 2x9mC1 LEU 202 HD13 -0.56 0.01 -0.09 -0.04 0.93 0.25 2x9mC1 LEU 202 HD23 -0.09 -0.01 0.01 -0.04 0.89 0.76 2x9mC1 ILE 203 H -0.13 0.51 0.30 -0.55 8.25 8.38 2x9mC1 ILE 203 HA -0.05 0.09 0.52 -0.75 4.18 3.99 2x9mC1 ILE 203 HB -0.05 -0.04 -0.18 -0.04 1.89 1.58 2x9mC1 ILE 203 HG12 -0.10 0.08 -0.17 -0.04 1.49 1.25 2x9mC1 ILE 203 HG13 -0.09 0.16 0.02 -0.04 1.21 1.26 2x9mC1 ILE 203 HG23 -0.17 0.05 -0.30 -0.04 0.93 0.47 2x9mC1 ILE 203 HD13 -0.11 -0.04 -0.31 -0.04 0.88 0.38 2x9mC1 SER 204 H -0.08 0.18 0.18 -0.55 8.46 8.19 2x9mC1 SER 204 HA -0.07 0.10 0.68 -0.75 4.49 4.45 2x9mC1 SER 204 HB2 -0.09 0.03 0.10 -0.04 3.95 3.95 2x9mC1 SER 204 HB3 -0.13 -0.04 0.22 -0.04 3.93 3.94 2x9mC1 TYR 205 H -0.13 0.29 0.17 -0.55 8.29 8.07 2x9mC1 TYR 205 HA -0.36 0.27 0.75 -0.75 4.56 4.47 2x9mC1 TYR 205 HB2 -0.36 -0.00 -0.09 -0.04 3.06 2.57 2x9mC1 TYR 205 HB3 -0.29 0.01 -0.31 -0.04 2.98 2.35 2x9mC1 TYR 205 HD2 -0.26 0.12 -0.17 -0.04 7.15 6.80 2x9mC1 TYR 205 HE2 -0.20 -0.00 -0.06 -0.04 6.85 6.54 2x9mC1 THR 206 H -0.22 0.27 0.11 -0.55 8.28 7.90 2x9mC1 THR 206 HA -0.28 0.16 0.80 -0.75 4.39 4.31 2x9mC1 THR 206 HB -0.08 0.05 0.03 -0.04 4.32 4.27 2x9mC1 THR 206 HG23 -0.30 0.04 -0.00 -0.04 1.22 0.92 2x9mC1 LEU 207 H -0.17 0.27 0.16 -0.55 8.37 8.08 2x9mC1 LEU 207 HA -0.03 0.12 0.49 -0.75 4.35 4.18 2x9mC1 LEU 207 HB2 -0.12 -0.03 -0.15 -0.04 1.64 1.29 2x9mC1 LEU 207 HB3 -0.02 0.11 -0.06 -0.04 1.64 1.64 2x9mC1 LEU 207 HG -0.13 0.10 -0.09 -0.04 1.64 1.47 2x9mC1 LEU 207 HD13 -0.22 -0.05 -0.48 -0.04 0.93 0.14 2x9mC1 LEU 207 HD23 -0.27 -0.01 -0.14 -0.04 0.89 0.43 2x9mC1 PRO 208 HA -0.00 0.00 0.51 -0.51 4.44 4.43 2x9mC1 PRO 208 HB2 0.03 0.03 -0.04 -0.04 2.28 2.26 2x9mC1 PRO 208 HB3 0.01 0.04 0.01 -0.04 2.02 2.04 2x9mC1 PRO 208 HG2 0.02 0.04 -0.02 -0.04 2.03 2.03 2x9mC1 PRO 208 HG3 0.02 0.03 -0.02 -0.04 2.03 2.02 2x9mC1 PRO 208 HD2 0.02 0.11 0.10 -0.04 3.68 3.86 2x9mC1 PRO 208 HD3 0.02 0.11 0.03 -0.04 3.65 3.76 2x9mC1 ILE 209 H -0.01 0.05 0.15 -0.55 8.25 7.89 2x9mC1 ILE 209 HA -0.03 0.02 0.33 -0.75 4.18 3.75 2x9mC1 ILE 209 HB -0.01 -0.04 0.07 -0.04 1.89 1.86 2x9mC1 ILE 209 HG12 -0.04 0.00 0.11 -0.04 1.49 1.52 2x9mC1 ILE 209 HG13 -0.03 -0.02 0.04 -0.04 1.21 1.16 2x9mC1 ILE 209 HG23 -0.02 0.08 -0.04 -0.04 0.93 0.91 2x9mC1 ILE 209 HD13 -0.06 0.00 0.02 -0.04 0.88 0.80 2x9mC1 ASN 210 H -0.01 0.06 0.12 -0.55 8.53 8.16 2x9mC1 ASN 210 HA 0.02 0.09 0.58 -0.75 4.76 4.70 2x9mC1 ASN 210 HB2 0.00 -0.04 0.04 -0.04 2.88 2.84 2x9mC1 ASN 210 HB3 0.01 0.04 0.06 -0.04 2.79 2.86 2x9mC1 ASN 210 HD21 -0.02 -0.09 -0.06 -0.04 7.03 6.83 2x9mC1 ASN 210 HD22 -0.01 0.05 0.00 -0.04 7.74 7.74 2x9mC1 THR 211 H 0.01 0.10 0.10 -0.55 8.28 7.94 2x9mC1 THR 211 HA -0.00 0.15 0.35 -0.75 4.39 4.13 2x9mC1 THR 211 HB -0.00 -0.01 0.04 -0.04 4.32 4.31 2x9mC1 THR 211 HG23 0.00 0.01 -0.01 -0.04 1.22 1.18 2x9mC1 ARG 212 H -0.00 0.11 -0.08 -0.55 8.46 7.94 2x9mC1 ARG 212 HA -0.00 0.16 0.69 -0.75 4.34 4.42 2x9mC1 ARG 212 HB2 -0.00 -0.04 0.12 -0.04 1.90 1.94 2x9mC1 ARG 212 HB3 -0.00 0.04 -0.22 -0.04 1.80 1.58 2x9mC1 ARG 212 HG2 0.00 -0.10 -0.13 -0.04 1.67 1.40 2x9mC1 ARG 212 HG3 -0.00 0.04 -0.32 -0.04 1.67 1.35 2x9mC1 ARG 212 HD2 0.00 -0.04 -0.06 -0.04 3.22 3.08 2x9mC1 ARG 212 HD3 0.00 -0.04 -0.09 -0.04 3.22 3.06 2x9mC1 GLU 213 H -0.00 0.13 0.09 -0.55 8.60 8.27 2x9mC1 GLU 213 HA -0.01 0.19 0.72 -0.75 4.29 4.43 2x9mC1 GLU 213 HB2 -0.00 0.02 0.03 -0.04 2.09 2.10 2x9mC1 GLU 213 HB3 -0.00 -0.12 0.09 -0.04 1.99 1.92 2x9mC1 GLU 213 HG2 -0.01 0.08 -0.14 -0.04 2.34 2.23 2x9mC1 GLU 213 HG3 -0.01 -0.02 -0.29 -0.04 2.34 1.98 2x9mC1 GLY 214 H 0.00 0.21 0.16 -0.55 8.43 8.26 2x9mC1 GLY 214 HA2 0.01 0.08 0.46 -0.51 4.01 4.05 2x9mC1 GLY 214 HA3 0.00 0.02 0.65 -0.51 4.01 4.17 2x9mC1 VAL 215 H 0.00 0.38 0.28 -0.55 8.24 8.36 2x9mC1 VAL 215 HA 0.00 0.22 0.99 -0.75 4.13 4.58 2x9mC1 VAL 215 HB -0.01 -0.09 -0.17 -0.04 2.12 1.82 2x9mC1 VAL 215 HG13 -0.02 -0.01 -0.29 -0.04 0.97 0.61 2x9mC1 VAL 215 HG23 -0.00 0.04 -0.33 -0.04 0.95 0.62 2x9mC1 CYS 216 H 0.01 0.69 0.28 -0.55 8.50 8.93 2x9mC1 CYS 216 HA 0.01 0.17 1.06 -0.75 4.58 5.06 2x9mC1 CYS 216 HB2 0.05 0.04 -0.06 -0.04 2.97 2.96 2x9mC1 CYS 216 HB3 0.04 -0.00 -0.11 -0.04 2.97 2.85 2x9mC1 ILE 217 H -0.03 0.97 0.38 -0.55 8.25 9.02 2x9mC1 ILE 217 HA -0.14 0.16 0.98 -0.75 4.18 4.42 2x9mC1 ILE 217 HB -0.08 -0.04 0.37 -0.04 1.89 2.11 2x9mC1 ILE 217 HG12 -0.09 0.03 -0.15 -0.04 1.49 1.24 2x9mC1 ILE 217 HG13 -0.12 -0.02 -0.06 -0.04 1.21 0.97 2x9mC1 ILE 217 HG23 -0.35 -0.01 -0.12 -0.04 0.93 0.41 2x9mC1 ILE 217 HD13 -0.32 0.00 -0.14 -0.04 0.88 0.39 2x9mC1 THR 218 H -0.01 0.65 0.32 -0.55 8.28 8.70 2x9mC1 THR 218 HA 0.05 0.16 0.94 -0.75 4.39 4.78 2x9mC1 THR 218 HB 0.06 -0.19 0.16 -0.04 4.32 4.31 2x9mC1 THR 218 HG23 0.12 -0.04 -0.30 -0.04 1.22 0.96 2x9mC1 ASP 219 H 0.05 0.08 0.17 -0.55 8.40 8.15 2x9mC1 ASP 219 HA 0.01 0.02 0.37 -0.75 4.63 4.28 2x9mC1 ASP 219 HB2 0.01 -0.02 0.01 -0.04 2.71 2.67 2x9mC1 ASP 219 HB3 0.03 0.05 0.18 -0.04 2.70 2.93 2x9mC1 PRO 220 HA -0.10 0.42 0.47 -0.51 4.44 4.72 2x9mC1 PRO 220 HB2 -0.01 -0.00 -0.18 -0.04 2.28 2.05 2x9mC1 PRO 220 HB3 -0.01 0.05 0.00 -0.04 2.02 2.03 2x9mC1 PRO 220 HG2 0.04 -0.00 -0.03 -0.04 2.03 2.00 2x9mC1 PRO 220 HG3 0.04 0.06 -0.05 -0.04 2.03 2.04 2x9mC1 PRO 220 HD2 0.02 0.10 0.11 -0.04 3.68 3.86 2x9mC1 PRO 220 HD3 0.04 -0.13 0.16 -0.04 3.65 3.68 2x9mC1 LEU 221 H -0.26 0.43 0.36 -0.55 8.37 8.36 2x9mC1 LEU 221 HA -0.04 0.09 0.68 -0.75 4.35 4.32 2x9mC1 LEU 221 HB2 -0.03 0.15 -0.07 -0.04 1.64 1.65 2x9mC1 LEU 221 HB3 -0.10 -0.08 0.05 -0.04 1.64 1.47 2x9mC1 LEU 221 HG 0.02 0.05 -0.01 -0.04 1.64 1.65 2x9mC1 LEU 221 HD13 0.04 0.04 -0.21 -0.04 0.93 0.76 2x9mC1 LEU 221 HD23 -0.03 -0.02 -0.47 -0.04 0.89 0.34 2x9mC1 LEU 222 H 0.03 0.23 0.10 -0.55 8.37 8.18 2x9mC1 LEU 222 HA 0.11 0.30 0.72 -0.75 4.35 4.72 2x9mC1 LEU 222 HB2 0.10 0.03 -0.06 -0.04 1.64 1.67 2x9mC1 LEU 222 HB3 0.07 -0.05 0.01 -0.04 1.64 1.63 2x9mC1 LEU 222 HG 0.09 -0.02 -0.47 -0.04 1.64 1.19 2x9mC1 LEU 222 HD13 0.14 0.04 -0.07 -0.04 0.93 1.00 2x9mC1 LEU 222 HD23 0.03 -0.00 -0.18 -0.04 0.89 0.70 2x9mC1 ALA 223 H 0.09 0.77 0.31 -0.55 8.40 9.03 2x9mC1 ALA 223 HA 0.13 0.17 0.89 -0.75 4.34 4.78 2x9mC1 ALA 223 HB3 0.08 0.01 0.02 -0.04 1.41 1.48 2x9mC1 VAL 224 H 0.15 0.27 0.15 -0.55 8.24 8.26 2x9mC1 VAL 224 HA 0.17 0.27 0.95 -0.75 4.13 4.77 2x9mC1 VAL 224 HB 0.03 -0.03 0.04 -0.04 2.12 2.11 2x9mC1 VAL 224 HG13 -0.24 -0.00 -0.18 -0.04 0.97 0.50 2x9mC1 VAL 224 HG23 0.05 0.00 -0.26 -0.04 0.95 0.71 2x9mC1 ASP 225 H 0.11 0.78 0.22 -0.55 8.40 8.97 2x9mC1 ASP 225 HA 0.07 0.06 0.82 -0.75 4.63 4.83 2x9mC1 ASP 225 HB2 0.22 0.06 -0.33 -0.04 2.71 2.62 2x9mC1 ASP 225 HB3 0.06 -0.02 -0.01 -0.04 2.70 2.69 2x9mC1 ASN 226 H -0.01 0.18 0.19 -0.55 8.53 8.35 2x9mC1 ASN 226 HA -0.05 0.04 0.38 -0.75 4.76 4.37 2x9mC1 ASN 226 HB2 -0.00 -0.02 -0.04 -0.04 2.88 2.78 2x9mC1 ASN 226 HB3 -0.37 0.11 -0.11 -0.04 2.79 2.38 2x9mC1 ASN 226 HD21 0.17 -0.01 0.03 -0.04 7.03 7.17 2x9mC1 ASN 226 HD22 0.18 -0.02 -0.01 -0.04 7.74 7.85 2x9mC1 GLY 227 H -0.21 0.05 -0.14 -0.55 8.43 7.59 2x9mC1 GLY 227 HA2 -0.34 0.05 0.34 -0.51 4.01 3.55 2x9mC1 GLY 227 HA3 -0.46 0.09 0.53 -0.51 4.01 3.67 2x9mC1 PHE 228 H -0.11 0.46 -0.28 -0.55 8.34 7.86 2x9mC1 PHE 228 HA 0.04 0.10 1.07 -0.75 4.62 5.08 2x9mC1 PHE 228 HB2 -0.18 0.01 -0.02 -0.04 3.15 2.92 2x9mC1 PHE 228 HB3 0.05 0.06 0.13 -0.04 3.06 3.26 2x9mC1 PHE 228 HD2 -0.29 0.05 -0.13 -0.04 7.28 6.87 2x9mC1 PHE 228 HE2 -0.07 -0.02 -0.06 -0.04 7.38 7.19 2x9mC1 PHE 228 HZ -0.03 -0.05 -0.06 -0.04 7.32 7.14 2x9mC1 PHE 229 H 0.21 0.86 0.38 -0.55 8.34 9.25 2x9mC1 PHE 229 HA 0.11 0.19 0.95 -0.75 4.62 5.12 2x9mC1 PHE 229 HB2 0.01 0.15 0.08 -0.04 3.15 3.34 2x9mC1 PHE 229 HB3 -0.01 -0.09 -0.25 -0.04 3.06 2.67 2x9mC1 PHE 229 HD2 0.05 0.06 -0.58 -0.04 7.28 6.77 2x9mC1 PHE 229 HE2 0.05 0.02 -0.43 -0.04 7.38 6.98 2x9mC1 PHE 229 HZ 0.01 0.01 -0.34 -0.04 7.32 6.96 2x9mC1 ALA 230 H -0.07 0.66 0.34 -0.55 8.40 8.79 2x9mC1 ALA 230 HA -0.44 0.27 1.05 -0.75 4.34 4.46 2x9mC1 ALA 230 HB3 -0.97 -0.02 -0.01 -0.04 1.41 0.38 2x9mC1 TYR 231 H 0.02 0.87 0.35 -0.55 8.29 8.99 2x9mC1 TYR 231 HA 0.08 0.27 0.85 -0.75 4.56 5.00 2x9mC1 TYR 231 HB2 0.34 -0.00 -0.17 -0.04 3.06 3.19 2x9mC1 TYR 231 HB3 0.25 -0.06 -0.08 -0.04 2.98 3.06 2x9mC1 TYR 231 HD2 0.04 -0.04 -0.21 -0.04 7.15 6.90 2x9mC1 TYR 231 HE2 -0.06 -0.04 -0.18 -0.04 6.85 6.53 2x9mC1 SER 232 H -0.58 0.41 0.31 -0.55 8.46 8.05 2x9mC1 SER 232 HA -0.17 0.17 0.65 -0.75 4.49 4.38 2x9mC1 SER 232 HB2 -0.03 -0.06 0.00 -0.04 3.95 3.82 2x9mC1 SER 232 HB3 -0.09 -0.04 0.01 -0.04 3.93 3.77 2x9mC1 HIS 233 H -0.18 0.41 0.34 -0.55 8.41 8.44 2x9mC1 HIS 233 HA -0.08 0.28 0.30 -0.75 4.63 4.38 2x9mC1 HIS 233 HB2 0.03 0.05 0.07 -0.04 3.26 3.37 2x9mC1 HIS 233 HB3 -0.08 0.03 -0.10 -0.04 3.20 3.01 2x9mC1 HIS 233 HD2 0.07 -0.02 -0.59 -0.04 6.97 6.39 2x9mC1 HIS 233 HE1 0.16 0.02 -0.12 -0.04 7.75 7.76 2x9mC1 LEU 234 H 0.13 0.76 0.29 -0.55 8.37 9.01 2x9mC1 LEU 234 HA 0.16 0.19 1.04 -0.75 4.35 4.99 2x9mC1 LEU 234 HB2 0.08 0.03 0.04 -0.04 1.64 1.75 2x9mC1 LEU 234 HB3 0.06 -0.05 0.05 -0.04 1.64 1.66 2x9mC1 LEU 234 HG 0.06 -0.00 -0.33 -0.04 1.64 1.32 2x9mC1 LEU 234 HD13 0.06 0.01 -0.12 -0.04 0.93 0.84 2x9mC1 LEU 234 HD23 0.07 -0.01 -0.10 -0.04 0.89 0.81 2x9mC1 GLU 235 H 0.13 0.89 0.37 -0.55 8.60 9.44 2x9mC1 GLU 235 HA -0.04 0.25 0.99 -0.75 4.29 4.73 2x9mC1 GLU 235 HB2 0.00 0.01 0.05 -0.04 2.09 2.10 2x9mC1 GLU 235 HB3 0.06 -0.08 0.23 -0.04 1.99 2.16 2x9mC1 GLU 235 HG2 0.01 -0.04 -0.37 -0.04 2.34 1.89 2x9mC1 GLU 235 HG3 -0.03 0.06 -0.09 -0.04 2.34 2.24 2x9mC1 LYS 236 H 0.00 0.73 0.37 -0.55 8.42 8.96 2x9mC1 LYS 236 HA 0.02 0.21 0.97 -0.75 4.32 4.76 2x9mC1 LYS 236 HB2 0.02 -0.04 -0.04 -0.04 1.87 1.77 2x9mC1 LYS 236 HB3 0.02 -0.01 -0.31 -0.04 1.79 1.44 2x9mC1 LYS 236 HG2 0.03 -0.05 -0.34 -0.04 1.46 1.06 2x9mC1 LYS 236 HG3 0.03 0.00 -0.25 -0.04 1.46 1.20 2x9mC1 LYS 236 HD2 0.03 0.04 -0.12 -0.04 1.69 1.60 2x9mC1 LYS 236 HD3 0.03 0.11 -0.32 -0.04 1.68 1.45 2x9mC1 LYS 236 HE2 0.04 -0.07 -0.16 -0.04 2.99 2.76 2x9mC1 LYS 236 HE3 0.03 -0.03 -0.07 -0.04 2.99 2.89 2x9mC1 ILE 237 H 0.01 0.72 0.22 -0.55 8.25 8.65 2x9mC1 ILE 237 HA 0.01 0.20 0.95 -0.75 4.18 4.59 2x9mC1 ILE 237 HB 0.01 -0.06 0.22 -0.04 1.89 2.02 2x9mC1 ILE 237 HG12 0.01 0.06 -0.04 -0.04 1.49 1.47 2x9mC1 ILE 237 HG13 0.01 -0.02 -0.09 -0.04 1.21 1.07 2x9mC1 ILE 237 HG23 0.01 0.02 -0.03 -0.04 0.93 0.88 2x9mC1 ILE 237 HD13 0.01 -0.01 -0.02 -0.04 0.88 0.82 2x9mC1 GLY 238 H 0.01 0.47 0.16 -0.55 8.43 8.53 2x9mC1 GLY 238 HA2 0.01 0.02 0.28 -0.51 4.01 3.81 2x9mC1 GLY 238 HA3 0.01 0.06 0.75 -0.51 4.01 4.32 2x9mC1 SER 239 H 0.01 0.16 0.04 -0.55 8.46 8.12 2x9mC1 SER 239 HA 0.02 0.14 0.52 -0.75 4.49 4.42 2x9mC1 SER 239 HB2 0.01 0.11 0.03 -0.04 3.95 4.05 2x9mC1 SER 239 HB3 0.01 0.00 -0.06 -0.04 3.93 3.84 2x9mC1 CYS 240 H 0.02 0.16 0.13 -0.55 8.50 8.26 2x9mC1 CYS 240 HA 0.04 0.17 0.36 -0.75 4.58 4.40 2x9mC1 CYS 240 HB2 -0.00 -0.04 0.03 -0.04 2.97 2.92 2x9mC1 CYS 240 HB3 0.08 0.05 -0.03 -0.04 2.97 3.03 2x9mC1 THR 241 H -0.01 -0.03 -0.09 -0.55 8.28 7.61 2x9mC1 THR 241 HA 0.00 0.23 0.67 -0.75 4.39 4.54 2x9mC1 THR 241 HB -0.01 0.07 0.04 -0.04 4.32 4.38 2x9mC1 THR 241 HG23 -0.04 -0.00 -0.04 -0.04 1.22 1.10 2x9mC1 ARG 242 H 0.01 -0.14 -0.27 -0.55 8.46 7.51 2x9mC1 ARG 242 HA 0.02 0.30 0.86 -0.75 4.34 4.76 2x9mC1 ARG 242 HB2 0.01 -0.09 -0.02 -0.04 1.90 1.76 2x9mC1 ARG 242 HB3 0.01 0.04 0.12 -0.04 1.80 1.93 2x9mC1 ARG 242 HG2 0.00 -0.17 -0.37 -0.04 1.67 1.10 2x9mC1 ARG 242 HG3 0.00 -0.01 -0.07 -0.04 1.67 1.55 2x9mC1 ARG 242 HD2 0.01 -0.02 -0.03 -0.04 3.22 3.14 2x9mC1 ARG 242 HD3 0.01 0.15 -0.03 -0.04 3.22 3.31 2x9mC1 GLY 243 H 0.02 0.25 -0.25 -0.55 8.43 7.91 2x9mC1 GLY 243 HA2 0.02 -0.04 0.47 -0.51 4.01 3.95 2x9mC1 GLY 243 HA3 0.02 0.15 0.10 -0.51 4.01 3.78 2x9mC1 ILE 244 H 0.02 0.34 0.28 -0.55 8.25 8.34 2x9mC1 ILE 244 HA 0.02 0.07 0.58 -0.75 4.18 4.09 2x9mC1 ILE 244 HB 0.01 -0.08 0.20 -0.04 1.89 1.98 2x9mC1 ILE 244 HG12 0.01 0.00 0.15 -0.04 1.49 1.61 2x9mC1 ILE 244 HG13 0.01 -0.02 0.07 -0.04 1.21 1.23 2x9mC1 ILE 244 HG23 0.01 0.04 -0.09 -0.04 0.93 0.86 2x9mC1 ILE 244 HD13 0.02 0.01 0.03 -0.04 0.88 0.90 2x9mC1 ALA 245 H 0.03 0.12 0.14 -0.55 8.40 8.15 2x9mC1 ALA 245 HA 0.03 0.11 0.57 -0.75 4.34 4.29 2x9mC1 ALA 245 HB3 0.04 0.00 -0.05 -0.04 1.41 1.36 2x9mC1 LYS 246 H 0.02 0.62 0.36 -0.55 8.42 8.88 2x9mC1 LYS 246 HA 0.01 0.16 0.92 -0.75 4.32 4.65 2x9mC1 LYS 246 HB2 0.01 -0.03 -0.09 -0.04 1.87 1.71 2x9mC1 LYS 246 HB3 0.02 0.07 0.00 -0.04 1.79 1.84 2x9mC1 LYS 246 HG2 0.01 -0.01 -0.26 -0.04 1.46 1.16 2x9mC1 LYS 246 HG3 0.00 0.00 -0.07 -0.04 1.46 1.36 2x9mC1 LYS 246 HD2 0.01 -0.00 -0.08 -0.04 1.69 1.58 2x9mC1 LYS 246 HD3 0.01 -0.03 -0.12 -0.04 1.68 1.49 2x9mC1 LYS 246 HE2 -0.00 0.02 -0.05 -0.04 2.99 2.92 2x9mC1 LYS 246 HE3 0.00 -0.02 -0.07 -0.04 2.99 2.86 2x9mC1 GLN 247 H 0.03 0.36 0.30 -0.55 8.47 8.62 2x9mC1 GLN 247 HA -0.01 0.18 0.77 -0.75 4.36 4.55 2x9mC1 GLN 247 HB2 0.02 0.01 -0.19 -0.04 2.15 1.95 2x9mC1 GLN 247 HB3 0.07 -0.08 0.01 -0.04 2.02 1.97 2x9mC1 GLN 247 HG2 -0.00 0.10 -0.24 -0.04 2.40 2.22 2x9mC1 GLN 247 HG3 -0.03 0.07 0.06 -0.04 2.39 2.44 2x9mC1 GLN 247 HE21 -0.01 -0.03 -0.07 -0.04 6.97 6.82 2x9mC1 GLN 247 HE22 -0.04 0.05 -0.03 -0.04 7.69 7.62 2x9mC1 ARG 248 H -0.03 0.24 0.17 -0.55 8.46 8.29 2x9mC1 ARG 248 HA 0.08 0.26 1.06 -0.75 4.34 4.99 2x9mC1 ARG 248 HB2 0.03 0.09 0.14 -0.04 1.90 2.12 2x9mC1 ARG 248 HB3 -0.03 -0.07 0.17 -0.04 1.80 1.83 2x9mC1 ARG 248 HG2 0.09 -0.06 -0.05 -0.04 1.67 1.62 2x9mC1 ARG 248 HG3 0.07 -0.04 -0.33 -0.04 1.67 1.32 2x9mC1 ARG 248 HD2 0.12 -0.06 -0.17 -0.04 3.22 3.07 2x9mC1 ARG 248 HD3 0.07 0.21 0.08 -0.04 3.22 3.54 2x9mC1 ILE 249 H 0.00 0.54 0.33 -0.55 8.25 8.57 2x9mC1 ILE 249 HA 0.00 0.37 1.03 -0.75 4.18 4.84 2x9mC1 ILE 249 HB -0.00 0.01 0.00 -0.04 1.89 1.86 2x9mC1 ILE 249 HG12 -0.57 0.02 0.05 -0.04 1.49 0.96 2x9mC1 ILE 249 HG13 -0.21 -0.08 -0.03 -0.04 1.21 0.85 2x9mC1 ILE 249 HG23 -0.00 -0.01 -0.18 -0.04 0.93 0.70 2x9mC1 ILE 249 HD13 -0.19 0.00 -0.11 -0.04 0.88 0.54 2x9mC1 ILE 250 H 0.22 0.60 0.28 -0.55 8.25 8.80 2x9mC1 ILE 250 HA 0.09 0.22 0.92 -0.75 4.18 4.65 2x9mC1 ILE 250 HB 0.36 -0.07 0.11 -0.04 1.89 2.25 2x9mC1 ILE 250 HG12 0.14 0.07 -0.03 -0.04 1.49 1.63 2x9mC1 ILE 250 HG13 0.35 -0.05 -0.30 -0.04 1.21 1.17 2x9mC1 ILE 250 HG23 0.05 0.01 -0.11 -0.04 0.93 0.83 2x9mC1 ILE 250 HD13 0.15 -0.02 -0.12 -0.04 0.88 0.85 2x9mC1 GLY 251 H 0.09 0.84 0.39 -0.55 8.43 9.20 2x9mC1 GLY 251 HA2 0.06 0.30 1.18 -0.51 4.01 5.03 2x9mC1 GLY 251 HA3 0.08 -0.04 0.32 -0.51 4.01 3.87 2x9mC1 VAL 252 H -0.07 0.57 0.47 -0.55 8.24 8.66 2x9mC1 VAL 252 HA -0.51 0.25 1.01 -0.75 4.13 4.13 2x9mC1 VAL 252 HB -0.05 0.02 0.12 -0.04 2.12 2.16 2x9mC1 VAL 252 HG13 -0.08 -0.02 -0.17 -0.04 0.97 0.65 2x9mC1 VAL 252 HG23 -0.02 0.00 -0.18 -0.04 0.95 0.71 2x9mC1 GLY 253 H -0.57 0.62 0.42 -0.55 8.43 8.35 2x9mC1 GLY 253 HA2 0.03 0.12 0.56 -0.51 4.01 4.21 2x9mC1 GLY 253 HA3 -0.03 0.15 0.54 -0.51 4.01 4.16 2x9mC1 GLU 254 H 0.29 0.43 0.31 -0.55 8.60 9.08 2x9mC1 GLU 254 HA 0.16 0.17 0.81 -0.75 4.29 4.68 2x9mC1 GLU 254 HB2 0.13 -0.07 0.07 -0.04 2.09 2.18 2x9mC1 GLU 254 HB3 -0.05 0.09 0.02 -0.04 1.99 2.02 2x9mC1 GLU 254 HG2 0.37 0.03 -0.04 -0.04 2.34 2.66 2x9mC1 GLU 254 HG3 0.17 0.03 0.09 -0.04 2.34 2.59 2x9mC1 VAL 255 H -0.09 0.61 0.14 -0.55 8.24 8.35 2x9mC1 VAL 255 HA -0.03 0.25 1.00 -0.75 4.13 4.59 2x9mC1 VAL 255 HB -0.27 -0.08 -0.05 -0.04 2.12 1.67 2x9mC1 VAL 255 HG13 -0.35 0.01 -0.21 -0.04 0.97 0.37 2x9mC1 VAL 255 HG23 -0.10 -0.01 -0.26 -0.04 0.95 0.54 2x9mC1 LEU 256 H 0.02 0.50 0.11 -0.55 8.37 8.46 2x9mC1 LEU 256 HA -0.08 0.19 0.83 -0.75 4.35 4.53 2x9mC1 LEU 256 HB2 0.12 -0.02 -0.16 -0.04 1.64 1.53 2x9mC1 LEU 256 HB3 -0.03 0.07 -0.11 -0.04 1.64 1.53 2x9mC1 LEU 256 HG 0.02 -0.05 -0.38 -0.04 1.64 1.19 2x9mC1 LEU 256 HD13 -0.19 0.01 -0.10 -0.04 0.93 0.61 2x9mC1 LEU 256 HD23 -0.09 0.03 -0.07 -0.04 0.89 0.72 2x9mC1 ASP 257 H -0.07 0.19 0.09 -0.55 8.40 8.07 2x9mC1 ASP 257 HA -0.11 0.13 0.60 -0.75 4.63 4.50 2x9mC1 ASP 257 HB2 -0.07 0.07 0.02 -0.04 2.71 2.69 2x9mC1 ASP 257 HB3 -0.05 0.05 0.12 -0.04 2.70 2.78 2x9mC1 ARG 258 H -0.07 0.52 0.15 -0.55 8.46 8.51 2x9mC1 ARG 258 HA 0.04 0.11 0.25 -0.75 4.34 3.99 2x9mC1 ARG 258 HB2 0.03 0.01 0.05 -0.04 1.90 1.95 2x9mC1 ARG 258 HB3 0.01 0.07 0.03 -0.04 1.80 1.87 2x9mC1 ARG 258 HG2 -0.06 0.03 0.09 -0.04 1.67 1.70 2x9mC1 ARG 258 HG3 -0.02 -0.12 -0.16 -0.04 1.67 1.33 2x9mC1 ARG 258 HD2 -0.02 -0.01 -0.04 -0.04 3.22 3.11 2x9mC1 ARG 258 HD3 -0.06 0.12 -0.12 -0.04 3.22 3.12 2x9mC1 GLY 259 H -0.03 -0.09 -0.28 -0.55 8.43 7.48 2x9mC1 GLY 259 HA2 -0.02 0.08 0.30 -0.51 4.01 3.86 2x9mC1 GLY 259 HA3 -0.01 0.20 0.58 -0.51 4.01 4.28 2x9mC1 ASP 260 H -0.02 0.13 -0.03 -0.55 8.40 7.93 2x9mC1 ASP 260 HA 0.01 0.26 0.81 -0.75 4.63 4.95 2x9mC1 ASP 260 HB2 0.02 0.06 0.14 -0.04 2.71 2.89 2x9mC1 ASP 260 HB3 0.01 0.03 -0.03 -0.04 2.70 2.67 2x9mC1 LYS 261 H -0.01 0.10 -0.35 -0.55 8.42 7.61 2x9mC1 LYS 261 HA -0.03 -0.02 0.21 -0.75 4.32 3.73 2x9mC1 LYS 261 HB2 0.07 0.17 -0.20 -0.04 1.87 1.87 2x9mC1 LYS 261 HB3 0.12 -0.01 0.19 -0.04 1.79 2.05 2x9mC1 LYS 261 HG2 0.03 -0.02 -0.00 -0.04 1.46 1.43 2x9mC1 LYS 261 HG3 0.03 0.01 -0.11 -0.04 1.46 1.34 2x9mC1 LYS 261 HD2 0.05 0.02 -0.04 -0.04 1.69 1.68 2x9mC1 LYS 261 HD3 0.08 -0.01 0.02 -0.04 1.68 1.72 2x9mC1 LYS 261 HE2 0.03 0.03 0.02 -0.04 2.99 3.03 2x9mC1 LYS 261 HE3 0.04 -0.03 0.02 -0.04 2.99 2.98 2x9mC1 VAL 262 H -0.11 -0.09 -0.23 -0.55 8.24 7.25 2x9mC1 VAL 262 HA -0.71 0.27 0.84 -0.75 4.13 3.78 2x9mC1 VAL 262 HB -0.10 -0.15 -0.04 -0.04 2.12 1.79 2x9mC1 VAL 262 HG13 -0.17 0.05 -0.09 -0.04 0.97 0.73 2x9mC1 VAL 262 HG23 0.10 0.09 -0.22 -0.04 0.95 0.88 2x9mC1 PRO 263 HA -0.25 0.17 0.39 -0.51 4.44 4.24 2x9mC1 PRO 263 HB2 -0.13 0.05 -0.16 -0.04 2.28 2.00 2x9mC1 PRO 263 HB3 -0.12 0.02 -0.09 -0.04 2.02 1.78 2x9mC1 PRO 263 HG2 -0.43 0.04 -0.05 -0.04 2.03 1.55 2x9mC1 PRO 263 HG3 -1.11 0.02 -0.06 -0.04 2.03 0.84 2x9mC1 PRO 263 HD2 -1.07 0.11 0.09 -0.04 3.68 2.77 2x9mC1 PRO 263 HD3 -2.84 0.16 0.15 -0.04 3.65 1.08 2x9mC1 SER 264 H -0.09 0.81 0.42 -0.55 8.46 9.05 2x9mC1 SER 264 HA -0.13 0.20 0.82 -0.75 4.49 4.62 2x9mC1 SER 264 HB2 0.12 -0.05 -0.03 -0.04 3.95 3.95 2x9mC1 SER 264 HB3 -0.16 0.03 0.09 -0.04 3.93 3.85 2x9mC1 MET 265 H -0.28 0.62 0.31 -0.55 8.47 8.57 2x9mC1 MET 265 HA -0.07 0.27 1.02 -0.75 4.52 4.98 2x9mC1 MET 265 HB2 -0.30 -0.03 0.10 -0.04 2.15 1.88 2x9mC1 MET 265 HB3 -0.77 -0.00 -0.11 -0.04 2.03 1.11 2x9mC1 MET 265 HG2 -0.46 0.03 -0.16 -0.04 2.63 1.99 2x9mC1 MET 265 HG3 -0.26 -0.05 -0.57 -0.04 2.56 1.65 2x9mC1 MET 265 HE3 -1.27 0.01 -0.22 -0.04 2.10 0.57 2x9mC1 PHE 266 H 0.34 0.67 0.20 -0.55 8.34 9.00 2x9mC1 PHE 266 HA 0.07 0.06 0.95 -0.75 4.62 4.94 2x9mC1 PHE 266 HB2 0.07 -0.03 0.14 -0.04 3.15 3.29 2x9mC1 PHE 266 HB3 0.06 0.11 0.01 -0.04 3.06 3.20 2x9mC1 PHE 266 HD2 0.00 0.01 -0.16 -0.04 7.28 7.09 2x9mC1 PHE 266 HE2 -0.03 -0.03 -0.11 -0.04 7.38 7.17 2x9mC1 PHE 266 HZ -0.03 -0.01 -0.07 -0.04 7.32 7.17 2x9mC1 MET 267 H 0.18 0.14 0.07 -0.55 8.47 8.31 2x9mC1 MET 267 HA 0.17 0.07 0.41 -0.75 4.52 4.42 2x9mC1 MET 267 HB2 0.18 0.24 0.07 -0.04 2.15 2.59 2x9mC1 MET 267 HB3 0.10 -0.07 -0.07 -0.04 2.03 1.94 2x9mC1 MET 267 HG2 0.06 -0.05 -0.16 -0.04 2.63 2.44 2x9mC1 MET 267 HG3 0.06 -0.06 -0.07 -0.04 2.56 2.44 2x9mC1 MET 267 HE3 0.05 0.01 -0.02 -0.04 2.10 2.10 2x9mC1 THR 268 H 0.03 0.58 0.53 -0.55 8.28 8.87 2x9mC1 THR 268 HA 0.08 0.14 0.95 -0.75 4.39 4.81 2x9mC1 THR 268 HB 0.06 -0.05 0.10 -0.04 4.32 4.39 2x9mC1 THR 268 HG23 0.12 0.02 -0.03 -0.04 1.22 1.30 2x9mC1 ASN 269 H 0.02 0.28 0.34 -0.55 8.53 8.62 2x9mC1 ASN 269 HA 0.05 0.09 0.82 -0.75 4.76 4.97 2x9mC1 ASN 269 HB2 0.02 0.10 -0.18 -0.04 2.88 2.78 2x9mC1 ASN 269 HB3 0.02 -0.09 0.09 -0.04 2.79 2.77 2x9mC1 ASN 269 HD21 0.03 0.08 0.10 -0.04 7.03 7.20 2x9mC1 ASN 269 HD22 0.00 0.45 0.15 -0.04 7.74 8.30 2x9mC1 VAL 270 H 0.07 0.23 0.16 -0.55 8.24 8.16 2x9mC1 VAL 270 HA 0.10 0.25 1.12 -0.75 4.13 4.84 2x9mC1 VAL 270 HB 0.05 -0.03 0.05 -0.04 2.12 2.15 2x9mC1 VAL 270 HG13 0.04 -0.00 -0.19 -0.04 0.97 0.78 2x9mC1 VAL 270 HG23 0.05 -0.02 -0.20 -0.04 0.95 0.74 2x9mC1 TRP 271 H 0.25 0.77 0.39 -0.55 7.97 8.83 2x9mC1 TRP 271 HA 0.01 0.14 0.91 -0.75 4.62 4.92 2x9mC1 TRP 271 HB2 0.02 0.00 -0.05 -0.04 3.23 3.16 2x9mC1 TRP 271 HB3 0.02 0.02 0.09 -0.04 3.23 3.32 2x9mC1 TRP 271 HD1 0.02 0.02 -0.02 -0.04 7.22 7.19 2x9mC1 TRP 271 HE1 -0.01 -0.02 -0.09 -0.04 10.20 10.04 2x9mC1 TRP 271 HE3 0.03 -0.04 -0.23 -0.04 7.59 7.31 2x9mC1 TRP 271 HZ2 -0.20 -0.02 -0.11 -0.04 7.44 7.07 2x9mC1 TRP 271 HZ3 0.05 0.00 -0.17 -0.04 7.13 6.98 2x9mC1 TRP 271 HH2 0.08 -0.01 -0.13 -0.04 7.19 7.08 2x9mC1 THR 272 H -0.96 0.22 0.12 -0.55 8.28 7.11 2x9mC1 THR 272 HA -0.45 0.31 0.88 -0.75 4.39 4.37 2x9mC1 THR 272 HB -0.28 -0.10 0.03 -0.04 4.32 3.94 2x9mC1 THR 272 HG23 -0.23 0.00 -0.11 -0.04 1.22 0.85 2x9mC1 PRO 273 HA -0.73 0.10 0.55 -0.51 4.44 3.86 2x9mC1 PRO 273 HB2 -0.17 0.04 -0.23 -0.04 2.28 1.88 2x9mC1 PRO 273 HB3 -0.14 0.00 0.03 -0.04 2.02 1.88 2x9mC1 PRO 273 HG2 -0.09 0.04 -0.03 -0.04 2.03 1.91 2x9mC1 PRO 273 HG3 -0.09 0.02 -0.05 -0.04 2.03 1.87 2x9mC1 PRO 273 HD2 -0.28 0.14 0.21 -0.04 3.68 3.71 2x9mC1 PRO 273 HD3 -0.48 0.13 0.05 -0.04 3.65 3.31 2x9mC1 PRO 274 HA -0.13 0.13 0.55 -0.51 4.44 4.48 2x9mC1 PRO 274 HB2 -0.06 0.00 0.00 -0.04 2.28 2.18 2x9mC1 PRO 274 HB3 -0.08 0.03 0.09 -0.04 2.02 2.02 2x9mC1 PRO 274 HG2 -0.08 0.02 0.08 -0.04 2.03 2.01 2x9mC1 PRO 274 HG3 -0.11 0.06 0.09 -0.04 2.03 2.02 2x9mC1 PRO 274 HD2 -0.12 0.05 0.19 -0.04 3.68 3.76 2x9mC1 PRO 274 HD3 -0.22 0.14 0.22 -0.04 3.65 3.74 2x9mC1 ASN 275 H -0.07 0.12 -0.05 -0.55 8.53 7.98 2x9mC1 ASN 275 HA -0.03 0.29 0.86 -0.75 4.76 5.12 2x9mC1 ASN 275 HB2 -0.00 0.03 -0.00 -0.04 2.88 2.86 2x9mC1 ASN 275 HB3 -0.00 -0.04 0.10 -0.04 2.79 2.80 2x9mC1 ASN 275 HD21 0.04 0.03 -0.02 -0.04 7.03 7.04 2x9mC1 ASN 275 HD22 0.04 0.01 -0.02 -0.04 7.74 7.73 2x9mC1 PRO 276 HA -0.04 0.09 0.29 -0.51 4.44 4.28 2x9mC1 PRO 276 HB2 0.01 -0.01 -0.39 -0.04 2.28 1.85 2x9mC1 PRO 276 HB3 -0.01 -0.14 -0.25 -0.04 2.02 1.58 2x9mC1 PRO 276 HG2 -0.00 0.14 -0.29 -0.04 2.03 1.83 2x9mC1 PRO 276 HG3 -0.03 0.26 -0.09 -0.04 2.03 2.13 2x9mC1 PRO 276 HD2 -0.01 0.01 0.10 -0.04 3.68 3.75 2x9mC1 PRO 276 HD3 -0.03 0.30 0.21 -0.04 3.65 4.09 2x9mC1 SER 277 H -0.00 0.11 -0.26 -0.55 8.46 7.76 2x9mC1 SER 277 HA 0.04 0.16 0.37 -0.75 4.49 4.30 2x9mC1 SER 277 HB2 0.06 0.02 0.07 -0.04 3.95 4.05 2x9mC1 SER 277 HB3 0.04 -0.01 0.05 -0.04 3.93 3.96 2x9mC1 THR 278 H -0.06 0.18 -0.41 -0.55 8.28 7.44 2x9mC1 THR 278 HA -0.21 0.38 0.63 -0.75 4.39 4.43 2x9mC1 THR 278 HB -0.18 -0.09 0.02 -0.04 4.32 4.03 2x9mC1 THR 278 HG23 -0.01 -0.02 -0.09 -0.04 1.22 1.06 2x9mC1 ILE 279 H -0.13 0.18 -0.17 -0.55 8.25 7.57 2x9mC1 ILE 279 HA -0.06 0.25 0.75 -0.75 4.18 4.37 2x9mC1 ILE 279 HB 0.04 0.04 0.08 -0.04 1.89 2.01 2x9mC1 ILE 279 HG12 0.09 -0.07 -0.10 -0.04 1.49 1.36 2x9mC1 ILE 279 HG13 0.25 -0.01 -0.07 -0.04 1.21 1.34 2x9mC1 ILE 279 HG23 0.12 -0.02 -0.23 -0.04 0.93 0.76 2x9mC1 ILE 279 HD13 0.25 0.02 -0.15 -0.04 0.88 0.95 2x9mC1 HIS 280 H 0.02 0.75 0.37 -0.55 8.41 9.01 2x9mC1 HIS 280 HA -0.08 0.14 0.89 -0.75 4.63 4.83 2x9mC1 HIS 280 HB2 -0.04 0.03 -0.08 -0.04 3.26 3.13 2x9mC1 HIS 280 HB3 -0.17 -0.07 -0.03 -0.04 3.20 2.89 2x9mC1 HIS 280 HD2 -0.07 0.07 -0.30 -0.04 6.97 6.62 2x9mC1 HIS 280 HE1 -0.01 -0.01 -0.09 -0.04 7.75 7.60 2x9mC1 HIS 281 H -0.16 0.15 0.14 -0.55 8.41 8.00 2x9mC1 HIS 281 HA 0.09 0.03 0.31 -0.75 4.63 4.30 2x9mC1 HIS 281 HB2 0.03 0.04 -0.22 -0.04 3.26 3.07 2x9mC1 HIS 281 HB3 0.12 0.26 0.18 -0.04 3.20 3.71 2x9mC1 HIS 281 HD2 -0.14 0.01 -0.12 -0.04 6.97 6.67 2x9mC1 HIS 281 HE1 0.26 0.00 -0.02 -0.04 7.75 7.95 2x9mC1 CYS 282 H 0.08 -0.05 -0.25 -0.55 8.50 7.74 2x9mC1 CYS 282 HA 0.08 0.25 0.46 -0.75 4.58 4.62 2x9mC1 CYS 282 HB2 0.06 -0.01 -0.04 -0.04 2.97 2.93 2x9mC1 CYS 282 HB3 0.07 -0.01 -0.15 -0.04 2.97 2.84 2x9mC1 SER 283 H 0.11 0.43 0.38 -0.55 8.46 8.83 2x9mC1 SER 283 HA 0.16 0.24 0.78 -0.75 4.49 4.91 2x9mC1 SER 283 HB2 0.21 0.11 -0.01 -0.04 3.95 4.22 2x9mC1 SER 283 HB3 0.37 -0.15 0.09 -0.04 3.93 4.20 2x9mC1 SER 284 H 0.21 0.65 0.23 -0.55 8.46 9.00 2x9mC1 SER 284 HA 0.40 0.24 1.13 -0.75 4.49 5.51 2x9mC1 SER 284 HB2 0.09 0.03 0.06 -0.04 3.95 4.09 2x9mC1 SER 284 HB3 0.15 -0.04 -0.12 -0.04 3.93 3.87 2x9mC1 THR 285 H 0.40 0.70 0.23 -0.55 8.28 9.06 2x9mC1 THR 285 HA 0.18 0.14 0.74 -0.75 4.39 4.71 2x9mC1 THR 285 HB -0.29 -0.01 -0.07 -0.04 4.32 3.92 2x9mC1 THR 285 HG23 -0.09 0.07 -0.43 -0.04 1.22 0.73 2x9mC1 TYR 286 H 0.11 0.17 0.08 -0.55 8.29 8.10 2x9mC1 TYR 286 HA -0.42 0.18 0.81 -0.75 4.56 4.38 2x9mC1 TYR 286 HB2 -1.59 0.00 -0.02 -0.04 3.06 1.42 2x9mC1 TYR 286 HB3 -0.29 -0.06 0.10 -0.04 2.98 2.68 2x9mC1 TYR 286 HD2 -0.32 0.01 -0.17 -0.04 7.15 6.63 2x9mC1 TYR 286 HE2 -0.24 -0.08 -0.16 -0.04 6.85 6.33 2x9mC1 HIS 287 H -0.13 0.50 0.28 -0.55 8.41 8.52 2x9mC1 HIS 287 HA -0.51 0.12 0.56 -0.75 4.63 4.05 2x9mC1 HIS 287 HB2 -0.19 0.02 -0.15 -0.04 3.26 2.91 2x9mC1 HIS 287 HB3 0.09 0.02 -0.07 -0.04 3.20 3.20 2x9mC1 HIS 287 HD2 -0.13 -0.01 -0.07 -0.04 6.97 6.70 2x9mC1 HIS 287 HE1 -0.05 -0.02 0.01 -0.04 7.75 7.65 2x9mC1 GLU 288 H -0.84 0.12 0.10 -0.55 8.60 7.43 2x9mC1 GLU 288 HA -0.44 -0.02 0.03 -0.75 4.29 3.11 2x9mC1 GLU 288 HB2 -0.10 0.03 0.11 -0.04 2.09 2.08 2x9mC1 GLU 288 HB3 -0.10 0.02 0.05 -0.04 1.99 1.92 2x9mC1 GLU 288 HG2 -0.45 0.02 0.09 -0.04 2.34 1.96 2x9mC1 GLU 288 HG3 -0.15 0.02 0.05 -0.04 2.34 2.21 2x9mC1 ASP 289 H -0.11 0.11 0.03 -0.55 8.40 7.88 2x9mC1 ASP 289 HA -0.33 -0.03 0.36 -0.75 4.63 3.87 2x9mC1 ASP 289 HB2 -0.73 0.36 0.38 -0.04 2.71 2.68 2x9mC1 ASP 289 HB3 -0.90 -0.04 0.13 -0.04 2.70 1.84 2x9mC1 PHE 290 H -0.26 0.77 -0.20 -0.55 8.34 8.10 2x9mC1 PHE 290 HA -0.21 0.19 1.08 -0.75 4.62 4.93 2x9mC1 PHE 290 HB2 -0.38 -0.01 -0.12 -0.04 3.15 2.60 2x9mC1 PHE 290 HB3 -0.59 -0.01 -0.21 -0.04 3.06 2.21 2x9mC1 PHE 290 HD2 -0.21 0.05 -0.30 -0.04 7.28 6.77 2x9mC1 PHE 290 HE2 -0.45 0.13 -0.04 -0.04 7.38 6.97 2x9mC1 PHE 290 HZ -0.00 -0.11 -0.07 -0.04 7.32 7.10 2x9mC1 TYR 291 H 0.13 0.89 0.29 -0.55 8.29 9.04 2x9mC1 TYR 291 HA 0.21 0.12 0.73 -0.75 4.56 4.87 2x9mC1 TYR 291 HB2 0.03 0.03 0.05 -0.04 3.06 3.12 2x9mC1 TYR 291 HB3 0.07 -0.01 -0.07 -0.04 2.98 2.93 2x9mC1 TYR 291 HD2 0.10 0.02 -0.30 -0.04 7.15 6.93 2x9mC1 TYR 291 HE2 0.12 -0.00 -0.37 -0.04 6.85 6.55 2x9mC1 TYR 292 H 0.53 0.47 0.12 -0.55 8.29 8.87 2x9mC1 TYR 292 HA 0.08 0.12 0.77 -0.75 4.56 4.78 2x9mC1 TYR 292 HB2 0.32 0.01 0.10 -0.04 3.06 3.44 2x9mC1 TYR 292 HB3 0.19 0.02 -0.08 -0.04 2.98 3.06 2x9mC1 TYR 292 HD2 0.08 0.04 -0.07 -0.04 7.15 7.16 2x9mC1 TYR 292 HE2 0.02 0.01 -0.12 -0.04 6.85 6.72 2x9mC1 THR 293 H 0.08 0.78 0.36 -0.55 8.28 8.94 2x9mC1 THR 293 HA 0.36 0.30 1.27 -0.75 4.39 5.56 2x9mC1 THR 293 HB 0.13 0.04 -0.15 -0.04 4.32 4.30 2x9mC1 THR 293 HG23 0.07 0.02 -0.16 -0.04 1.22 1.11 2x9mC1 LEU 294 H 0.08 0.93 0.40 -0.55 8.37 9.23 2x9mC1 LEU 294 HA -0.22 0.18 0.92 -0.75 4.35 4.47 2x9mC1 LEU 294 HB2 -1.21 -0.05 -0.07 -0.04 1.64 0.27 2x9mC1 LEU 294 HB3 -0.47 0.01 0.19 -0.04 1.64 1.33 2x9mC1 LEU 294 HG -0.22 0.06 -0.16 -0.04 1.64 1.27 2x9mC1 LEU 294 HD13 -0.36 0.02 -0.12 -0.04 0.93 0.44 2x9mC1 LEU 294 HD23 -0.60 -0.02 -0.13 -0.04 0.89 0.11 2x9mC1 CYS 295 H -0.09 0.58 0.37 -0.55 8.50 8.82 2x9mC1 CYS 295 HA 0.05 0.27 0.82 -0.75 4.58 4.98 2x9mC1 CYS 295 HB2 0.05 -0.04 -0.08 -0.04 2.97 2.86 2x9mC1 CYS 295 HB3 0.08 0.03 0.04 -0.04 2.97 3.08 2x9mC1 ALA 296 H 0.10 0.84 0.35 -0.55 8.40 9.15 2x9mC1 ALA 296 HA 0.18 0.19 1.06 -0.75 4.34 5.01 2x9mC1 ALA 296 HB3 0.09 -0.00 0.08 -0.04 1.41 1.54 2x9mC1 VAL 297 H 0.24 0.65 0.30 -0.55 8.24 8.89 2x9mC1 VAL 297 HA 0.01 0.39 1.00 -0.75 4.13 4.77 2x9mC1 VAL 297 HB 0.08 -0.02 0.06 -0.04 2.12 2.21 2x9mC1 VAL 297 HG13 -0.08 -0.03 -0.11 -0.04 0.97 0.71 2x9mC1 VAL 297 HG23 0.11 -0.01 -0.22 -0.04 0.95 0.79 2x9mC1 SER 298 H -0.13 0.67 0.27 -0.55 8.46 8.72 2x9mC1 SER 298 HA 0.22 0.09 0.63 -0.75 4.49 4.68 2x9mC1 SER 298 HB2 0.20 0.08 -0.18 -0.04 3.95 4.01 2x9mC1 SER 298 HB3 0.25 0.05 -0.03 -0.04 3.93 4.16 2x9mC1 HIS 299 H 0.10 0.22 0.09 -0.55 8.41 8.27 2x9mC1 HIS 299 HA 0.07 0.18 0.78 -0.75 4.63 4.91 2x9mC1 HIS 299 HB2 0.06 0.03 0.05 -0.04 3.26 3.36 2x9mC1 HIS 299 HB3 0.05 0.00 0.16 -0.04 3.20 3.37 2x9mC1 HIS 299 HD2 0.03 -0.00 -0.04 -0.04 6.97 6.91 2x9mC1 HIS 299 HE1 0.03 0.03 -0.06 -0.04 7.75 7.70 2x9mC1 VAL 300 H 0.20 0.11 -0.28 -0.55 8.24 7.72 2x9mC1 VAL 300 HA 0.12 0.21 0.78 -0.75 4.13 4.49 2x9mC1 VAL 300 HB 0.12 -0.02 0.06 -0.04 2.12 2.24 2x9mC1 VAL 300 HG13 0.13 -0.01 -0.22 -0.04 0.97 0.84 2x9mC1 VAL 300 HG23 0.25 0.00 -0.25 -0.04 0.95 0.92 2x9mC1 GLY 301 H 0.17 0.13 -0.26 -0.55 8.43 7.92 2x9mC1 GLY 301 HA2 0.22 0.12 0.21 -0.51 4.01 4.04 2x9mC1 GLY 301 HA3 0.07 0.09 0.48 -0.51 4.01 4.14 2x9mC1 ASP 302 H -0.11 0.12 0.07 -0.55 8.40 7.92 2x9mC1 ASP 302 HA -0.38 0.14 0.31 -0.75 4.63 3.96 2x9mC1 ASP 302 HB2 -0.19 0.08 0.12 -0.04 2.71 2.69 2x9mC1 ASP 302 HB3 -0.02 -0.07 0.14 -0.04 2.70 2.70 2x9mC1 PRO 303 HA -0.20 0.13 0.19 -0.51 4.44 4.04 2x9mC1 PRO 303 HB2 -0.70 0.01 -0.15 -0.04 2.28 1.40 2x9mC1 PRO 303 HB3 -1.59 0.08 -0.04 -0.04 2.02 0.42 2x9mC1 PRO 303 HG2 -1.09 0.06 -0.06 -0.04 2.03 0.90 2x9mC1 PRO 303 HG3 -1.68 0.09 -0.04 -0.04 2.03 0.36 2x9mC1 PRO 303 HD2 -0.09 0.03 0.09 -0.04 3.68 3.67 2x9mC1 PRO 303 HD3 -0.11 0.28 0.11 -0.04 3.65 3.89 2x9mC1 ILE 304 H -0.05 0.09 -0.40 -0.55 8.25 7.34 2x9mC1 ILE 304 HA 0.01 0.10 0.41 -0.75 4.18 3.95 2x9mC1 ILE 304 HB 0.12 -0.05 -0.02 -0.04 1.89 1.90 2x9mC1 ILE 304 HG12 -0.34 -0.04 -0.08 -0.04 1.49 0.98 2x9mC1 ILE 304 HG13 -0.12 0.05 -0.07 -0.04 1.21 1.02 2x9mC1 ILE 304 HG23 0.02 0.01 -0.14 -0.04 0.93 0.78 2x9mC1 ILE 304 HD13 -0.58 0.02 -0.15 -0.04 0.88 0.13 2x9mC1 LEU 305 H 0.03 0.23 -0.24 -0.55 8.37 7.84 2x9mC1 LEU 305 HA -0.00 0.10 0.51 -0.75 4.35 4.21 2x9mC1 LEU 305 HB2 0.04 0.08 0.02 -0.04 1.64 1.74 2x9mC1 LEU 305 HB3 0.06 -0.02 0.10 -0.04 1.64 1.75 2x9mC1 LEU 305 HG 0.13 -0.08 -0.02 -0.04 1.64 1.64 2x9mC1 LEU 305 HD13 0.10 -0.00 0.02 -0.04 0.93 1.00 2x9mC1 LEU 305 HD23 0.23 0.01 -0.09 -0.04 0.89 1.00 2x9mC1 ASN 306 H 0.03 0.26 -0.58 -0.55 8.53 7.69 2x9mC1 ASN 306 HA 0.06 0.06 0.62 -0.75 4.76 4.74 2x9mC1 ASN 306 HB2 0.05 0.05 -0.28 -0.04 2.88 2.66 2x9mC1 ASN 306 HB3 0.09 0.01 -0.02 -0.04 2.79 2.83 2x9mC1 ASN 306 HD21 0.06 -0.07 -0.00 -0.04 7.03 6.98 2x9mC1 ASN 306 HD22 0.07 0.32 0.02 -0.04 7.74 8.12 2x9mC1 SER 307 H 0.11 0.15 -0.11 -0.55 8.46 8.06 2x9mC1 SER 307 HA 0.07 0.24 0.24 -0.75 4.49 4.29 2x9mC1 SER 307 HB2 0.38 -0.17 0.10 -0.04 3.95 4.22 2x9mC1 SER 307 HB3 0.24 0.00 -0.02 -0.04 3.93 4.11 2x9mC1 THR 308 H 0.14 0.03 -0.04 -0.55 8.28 7.86 2x9mC1 THR 308 HA 0.16 0.10 0.31 -0.75 4.39 4.21 2x9mC1 THR 308 HB -0.11 0.05 0.02 -0.04 4.32 4.23 2x9mC1 THR 308 HG23 -0.26 -0.01 0.05 -0.04 1.22 0.95 2x9mC1 SER 309 H 0.08 0.03 -0.43 -0.55 8.46 7.59 2x9mC1 SER 309 HA 0.03 0.05 0.35 -0.75 4.49 4.17 2x9mC1 SER 309 HB2 0.10 0.13 -0.01 -0.04 3.95 4.13 2x9mC1 SER 309 HB3 0.07 -0.03 -0.03 -0.04 3.93 3.90 2x9mC1 TRP 310 H 0.22 0.37 -0.19 -0.55 7.97 7.82 2x9mC1 TRP 310 HA -0.02 -0.09 0.36 -0.75 4.62 4.11 2x9mC1 TRP 310 HB2 -0.05 0.01 0.01 -0.04 3.23 3.16 2x9mC1 TRP 310 HB3 -0.18 0.09 0.13 -0.04 3.23 3.23 2x9mC1 TRP 310 HD1 -0.00 -0.19 0.04 -0.04 7.22 7.03 2x9mC1 TRP 310 HE1 -0.02 0.64 0.17 -0.04 10.20 10.94 2x9mC1 TRP 310 HE3 -0.56 0.05 -0.07 -0.04 7.59 6.97 2x9mC1 TRP 310 HZ2 -0.04 0.16 0.11 -0.04 7.44 7.63 2x9mC1 TRP 310 HZ3 -0.46 -0.05 -0.14 -0.04 7.13 6.43 2x9mC1 TRP 310 HH2 -0.10 0.19 -0.01 -0.04 7.19 7.23 2x9mC1 THR 311 H -0.18 0.11 0.27 -0.55 8.28 7.93 2x9mC1 THR 311 HA -0.40 0.09 0.73 -0.75 4.39 4.06 2x9mC1 THR 311 HB -0.16 0.03 0.12 -0.04 4.32 4.26 2x9mC1 THR 311 HG23 -0.11 -0.01 0.12 -0.04 1.22 1.17 2x9mC1 GLU 312 H -0.69 0.12 0.15 -0.55 8.60 7.64 2x9mC1 GLU 312 HA -2.68 0.02 0.19 -0.75 4.29 1.07 2x9mC1 GLU 312 HB2 -0.68 0.03 0.18 -0.04 2.09 1.57 2x9mC1 GLU 312 HB3 -0.42 -0.02 0.22 -0.04 1.99 1.72 2x9mC1 GLU 312 HG2 -0.27 0.02 -0.20 -0.04 2.34 1.85 2x9mC1 GLU 312 HG3 -0.20 0.05 0.07 -0.04 2.34 2.22 2x9mC1 SER 313 H -0.40 0.25 0.28 -0.55 8.46 8.04 2x9mC1 SER 313 HA -0.11 0.14 0.88 -0.75 4.49 4.65 2x9mC1 SER 313 HB2 -0.11 0.05 -0.03 -0.04 3.95 3.82 2x9mC1 SER 313 HB3 0.04 0.08 0.22 -0.04 3.93 4.23 2x9mC1 LEU 314 H -0.02 0.29 0.24 -0.55 8.37 8.33 2x9mC1 LEU 314 HA 0.07 0.26 1.13 -0.75 4.35 5.06 2x9mC1 LEU 314 HB2 -0.05 -0.05 0.02 -0.04 1.64 1.53 2x9mC1 LEU 314 HB3 -0.05 0.05 0.06 -0.04 1.64 1.66 2x9mC1 LEU 314 HG 0.07 -0.07 -0.23 -0.04 1.64 1.37 2x9mC1 LEU 314 HD13 0.01 0.00 -0.17 -0.04 0.93 0.73 2x9mC1 LEU 314 HD23 0.21 0.07 -0.01 -0.04 0.89 1.12 2x9mC1 SER 315 H -0.07 0.73 0.39 -0.55 8.46 8.97 2x9mC1 SER 315 HA -0.23 0.05 0.78 -0.75 4.49 4.34 2x9mC1 SER 315 HB2 -0.69 0.01 0.01 -0.04 3.95 3.25 2x9mC1 SER 315 HB3 -0.17 -0.01 0.00 -0.04 3.93 3.72 2x9mC1 LEU 316 H -0.46 0.63 0.35 -0.55 8.37 8.34 2x9mC1 LEU 316 HA -0.23 0.33 1.02 -0.75 4.35 4.71 2x9mC1 LEU 316 HB2 -0.29 -0.04 -0.11 -0.04 1.64 1.16 2x9mC1 LEU 316 HB3 -0.24 -0.08 0.11 -0.04 1.64 1.39 2x9mC1 LEU 316 HG -0.09 -0.04 -0.15 -0.04 1.64 1.31 2x9mC1 LEU 316 HD13 0.06 0.03 -0.29 -0.04 0.93 0.68 2x9mC1 LEU 316 HD23 -0.17 0.03 -0.27 -0.04 0.89 0.44 2x9mC1 ILE 317 H -0.22 0.63 0.30 -0.55 8.25 8.41 2x9mC1 ILE 317 HA -0.43 0.21 1.06 -0.75 4.18 4.26 2x9mC1 ILE 317 HB -0.38 -0.02 0.14 -0.04 1.89 1.58 2x9mC1 ILE 317 HG12 -2.00 -0.01 -0.11 -0.04 1.49 -0.67 2x9mC1 ILE 317 HG13 -0.66 0.00 -0.18 -0.04 1.21 0.34 2x9mC1 ILE 317 HG23 -0.96 -0.00 -0.16 -0.04 0.93 -0.24 2x9mC1 ILE 317 HD13 -0.20 -0.00 -0.16 -0.04 0.88 0.47 2x9mC1 ARG 318 H -0.28 0.61 0.23 -0.55 8.46 8.47 2x9mC1 ARG 318 HA -0.28 0.15 0.91 -0.75 4.34 4.37 2x9mC1 ARG 318 HB2 -0.32 -0.04 -0.03 -0.04 1.90 1.47 2x9mC1 ARG 318 HB3 -0.39 -0.01 0.14 -0.04 1.80 1.50 2x9mC1 ARG 318 HG2 -0.80 0.08 -0.40 -0.04 1.67 0.51 2x9mC1 ARG 318 HG3 -1.62 -0.05 -0.18 -0.04 1.67 -0.22 2x9mC1 ARG 318 HD2 -1.67 -0.00 -0.17 -0.04 3.22 1.33 2x9mC1 ARG 318 HD3 -0.56 -0.03 -0.12 -0.04 3.22 2.46 2x9mC1 LEU 319 H -0.10 0.63 0.25 -0.55 8.37 8.60 2x9mC1 LEU 319 HA -0.07 0.35 1.05 -0.75 4.35 4.93 2x9mC1 LEU 319 HB2 0.02 -0.04 0.03 -0.04 1.64 1.61 2x9mC1 LEU 319 HB3 0.01 0.05 -0.04 -0.04 1.64 1.63 2x9mC1 LEU 319 HG -0.10 -0.05 -0.30 -0.04 1.64 1.15 2x9mC1 LEU 319 HD13 0.07 -0.01 -0.20 -0.04 0.93 0.75 2x9mC1 LEU 319 HD23 -0.01 0.01 -0.12 -0.04 0.89 0.73 2x9mC1 ALA 320 H -0.03 0.58 0.31 -0.55 8.40 8.72 2x9mC1 ALA 320 HA -0.11 0.22 0.87 -0.75 4.34 4.56 2x9mC1 ALA 320 HB3 -0.35 0.02 0.02 -0.04 1.41 1.05 2x9mC1 VAL 321 H -0.24 0.42 0.11 -0.55 8.24 7.98 2x9mC1 VAL 321 HA -0.07 0.06 0.32 -0.75 4.13 3.69 2x9mC1 VAL 321 HB -0.36 -0.01 -0.02 -0.04 2.12 1.70 2x9mC1 VAL 321 HG13 -0.15 0.00 -0.20 -0.04 0.97 0.58 2x9mC1 VAL 321 HG23 -1.06 0.01 -0.21 -0.04 0.95 -0.35 2x9mC1 ARG 322 H -0.12 0.11 -0.33 -0.55 8.46 7.57 2x9mC1 ARG 322 HA 0.04 0.21 0.59 -0.75 4.34 4.43 2x9mC1 ARG 322 HB2 0.02 -0.07 0.10 -0.04 1.90 1.90 2x9mC1 ARG 322 HB3 0.05 0.03 0.03 -0.04 1.80 1.87 2x9mC1 ARG 322 HG2 0.13 0.21 -0.05 -0.04 1.67 1.92 2x9mC1 ARG 322 HG3 0.03 -0.10 -0.29 -0.04 1.67 1.27 2x9mC1 ARG 322 HD2 0.08 -0.04 -0.03 -0.04 3.22 3.19 2x9mC1 ARG 322 HD3 0.10 0.02 -0.01 -0.04 3.22 3.28 2x9mC1 PRO 323 HA 0.19 -0.03 0.36 -0.51 4.44 4.46 2x9mC1 PRO 323 HB2 0.07 -0.01 -0.03 -0.04 2.28 2.27 2x9mC1 PRO 323 HB3 0.09 -0.03 0.05 -0.04 2.02 2.08 2x9mC1 PRO 323 HG2 0.05 0.24 0.04 -0.04 2.03 2.32 2x9mC1 PRO 323 HG3 0.04 0.09 -0.01 -0.04 2.03 2.11 2x9mC1 PRO 323 HD2 0.05 0.09 0.05 -0.04 3.68 3.84 2x9mC1 PRO 323 HD3 0.03 0.20 -0.38 -0.04 3.65 3.46 2x9mC1 LYS 324 H 0.26 0.12 0.16 -0.55 8.42 8.40 2x9mC1 LYS 324 HA 0.03 0.15 0.84 -0.75 4.32 4.59 2x9mC1 LYS 324 HB2 -0.13 -0.09 0.10 -0.04 1.87 1.71 2x9mC1 LYS 324 HB3 -0.07 0.10 -0.07 -0.04 1.79 1.70 2x9mC1 LYS 324 HG2 -0.20 -0.04 -0.02 -0.04 1.46 1.16 2x9mC1 LYS 324 HG3 -0.05 -0.00 0.02 -0.04 1.46 1.39 2x9mC1 LYS 324 HD2 0.05 0.16 -0.45 -0.04 1.69 1.41 2x9mC1 LYS 324 HD3 0.14 0.01 -0.12 -0.04 1.68 1.68 2x9mC1 LYS 324 HE2 -0.04 -0.06 -0.03 -0.04 2.99 2.81 2x9mC1 LYS 324 HE3 0.03 0.03 -0.05 -0.04 2.99 2.95 2x9mC1 SER 325 H 0.02 0.14 0.10 -0.55 8.46 8.18 2x9mC1 SER 325 HA 0.04 0.06 0.50 -0.75 4.49 4.33 2x9mC1 SER 325 HB2 0.02 -0.01 0.08 -0.04 3.95 4.00 2x9mC1 SER 325 HB3 0.02 0.04 0.09 -0.04 3.93 4.04 2x9mC1 ASP 326 H 0.03 0.12 0.19 -0.55 8.40 8.19 2x9mC1 ASP 326 HA 0.02 0.06 0.39 -0.75 4.63 4.35 2x9mC1 ASP 326 HB2 0.01 -0.08 -0.13 -0.04 2.71 2.48 2x9mC1 ASP 326 HB3 0.00 0.10 0.10 -0.04 2.70 2.86 2x9mC1 SER 327 H 0.04 0.07 -0.22 -0.55 8.46 7.81 2x9mC1 SER 327 HA 0.01 0.18 0.72 -0.75 4.49 4.65 2x9mC1 SER 327 HB2 0.06 -0.23 0.16 -0.04 3.95 3.90 2x9mC1 SER 327 HB3 -0.04 0.10 -0.03 -0.04 3.93 3.92 2x9mC1 GLY 328 H 0.09 -0.01 0.06 -0.55 8.43 8.03 2x9mC1 GLY 328 HA2 0.05 0.28 0.89 -0.51 4.01 4.72 2x9mC1 GLY 328 HA3 0.05 -0.01 0.40 -0.51 4.01 3.94 2x9mC1 ASP 329 H 0.06 0.15 0.15 -0.55 8.40 8.21 2x9mC1 ASP 329 HA 0.04 0.24 0.57 -0.75 4.63 4.73 2x9mC1 ASP 329 HB2 0.03 -0.06 0.08 -0.04 2.71 2.72 2x9mC1 ASP 329 HB3 -0.03 0.07 -0.06 -0.04 2.70 2.64 2x9mC1 TYR 330 H 0.21 -0.14 -0.32 -0.55 8.29 7.49 2x9mC1 TYR 330 HA 0.13 0.08 0.14 -0.75 4.56 4.15 2x9mC1 TYR 330 HB2 0.10 -0.06 0.08 -0.04 3.06 3.14 2x9mC1 TYR 330 HB3 0.08 -0.06 0.06 -0.04 2.98 3.01 2x9mC1 TYR 330 HD2 0.18 -0.05 -0.06 -0.04 7.15 7.18 2x9mC1 TYR 330 HE2 -0.09 0.09 -0.03 -0.04 6.85 6.77 2x9mC1 ASN 331 H 0.18 0.07 -0.25 -0.55 8.53 7.98 2x9mC1 ASN 331 HA 0.00 -0.00 0.37 -0.75 4.76 4.37 2x9mC1 ASN 331 HB2 0.10 0.03 0.11 -0.04 2.88 3.07 2x9mC1 ASN 331 HB3 0.08 0.04 0.00 -0.04 2.79 2.87 2x9mC1 ASN 331 HD21 0.11 0.12 -0.04 -0.04 7.03 7.17 2x9mC1 ASN 331 HD22 0.09 0.01 0.01 -0.04 7.74 7.82 2x9mC1 GLN 332 H 0.04 0.16 -0.02 -0.55 8.47 8.11 2x9mC1 GLN 332 HA -0.06 0.32 0.90 -0.75 4.36 4.77 2x9mC1 GLN 332 HB2 0.11 -0.06 0.06 -0.04 2.15 2.22 2x9mC1 GLN 332 HB3 0.09 -0.02 -0.03 -0.04 2.02 2.02 2x9mC1 GLN 332 HG2 0.09 0.11 -0.12 -0.04 2.40 2.43 2x9mC1 GLN 332 HG3 0.09 -0.14 -0.36 -0.04 2.39 1.94 2x9mC1 GLN 332 HE21 0.22 0.30 0.08 -0.04 6.97 7.53 2x9mC1 GLN 332 HE22 0.19 -0.08 -0.30 -0.04 7.69 7.46 2x9mC1 LYS 333 H -0.17 0.51 0.23 -0.55 8.42 8.43 2x9mC1 LYS 333 HA -0.02 0.06 0.80 -0.75 4.32 4.41 2x9mC1 LYS 333 HB2 -0.11 0.17 -0.10 -0.04 1.87 1.78 2x9mC1 LYS 333 HB3 -0.20 -0.02 0.06 -0.04 1.79 1.59 2x9mC1 LYS 333 HG2 -0.08 0.00 -0.28 -0.04 1.46 1.06 2x9mC1 LYS 333 HG3 -0.03 -0.03 0.05 -0.04 1.46 1.41 2x9mC1 LYS 333 HD2 -0.07 -0.07 -0.06 -0.04 1.69 1.46 2x9mC1 LYS 333 HD3 -0.14 0.01 -0.10 -0.04 1.68 1.41 2x9mC1 LYS 333 HE2 -0.05 0.01 -0.10 -0.04 2.99 2.80 2x9mC1 LYS 333 HE3 -0.03 -0.01 -0.04 -0.04 2.99 2.88 2x9mC1 TYR 334 H 0.08 0.18 0.15 -0.55 8.29 8.15 2x9mC1 TYR 334 HA -0.24 0.28 1.04 -0.75 4.56 4.89 2x9mC1 TYR 334 HB2 -0.06 -0.00 -0.01 -0.04 3.06 2.94 2x9mC1 TYR 334 HB3 0.01 -0.03 0.13 -0.04 2.98 3.06 2x9mC1 TYR 334 HD2 -0.21 -0.02 -0.17 -0.04 7.15 6.71 2x9mC1 TYR 334 HE2 0.05 -0.01 -0.16 -0.04 6.85 6.68 2x9mC1 ILE 335 H -0.54 0.70 0.33 -0.55 8.25 8.19 2x9mC1 ILE 335 HA -0.14 0.15 1.00 -0.75 4.18 4.43 2x9mC1 ILE 335 HB -0.23 -0.02 0.11 -0.04 1.89 1.71 2x9mC1 ILE 335 HG12 -0.08 0.02 -0.12 -0.04 1.49 1.27 2x9mC1 ILE 335 HG13 -0.13 -0.09 -0.53 -0.04 1.21 0.42 2x9mC1 ILE 335 HG23 -0.13 0.00 -0.21 -0.04 0.93 0.56 2x9mC1 ILE 335 HD13 -0.07 0.01 -0.12 -0.04 0.88 0.66 2x9mC1 ALA 336 H -0.10 0.17 0.15 -0.55 8.40 8.07 2x9mC1 ALA 336 HA -0.18 0.13 0.85 -0.75 4.34 4.39 2x9mC1 ALA 336 HB3 0.02 0.01 0.08 -0.04 1.41 1.48 2x9mC1 ILE 337 H -0.13 0.51 0.32 -0.55 8.25 8.40 2x9mC1 ILE 337 HA -0.12 0.01 0.55 -0.75 4.18 3.87 2x9mC1 ILE 337 HB -0.10 0.06 0.06 -0.04 1.89 1.86 2x9mC1 ILE 337 HG12 -0.21 -0.02 -0.16 -0.04 1.49 1.06 2x9mC1 ILE 337 HG13 -0.20 -0.01 -0.22 -0.04 1.21 0.74 2x9mC1 ILE 337 HG23 -0.11 0.02 -0.27 -0.04 0.93 0.53 2x9mC1 ILE 337 HD13 -0.28 0.00 -0.18 -0.04 0.88 0.38 2x9mC1 THR 338 H -0.06 0.07 0.25 -0.55 8.28 7.98 2x9mC1 THR 338 HA -0.05 0.22 0.89 -0.75 4.39 4.70 2x9mC1 THR 338 HB -0.03 -0.08 0.15 -0.04 4.32 4.31 2x9mC1 THR 338 HG23 -0.03 -0.00 -0.02 -0.04 1.22 1.12 2x9mC1 LYS 339 H -0.04 0.09 0.15 -0.55 8.42 8.06 2x9mC1 LYS 339 HA -0.02 0.11 0.54 -0.75 4.32 4.20 2x9mC1 LYS 339 HB2 -0.02 0.07 0.02 -0.04 1.87 1.90 2x9mC1 LYS 339 HB3 -0.01 0.01 -0.04 -0.04 1.79 1.72 2x9mC1 LYS 339 HG2 -0.01 0.06 -0.05 -0.04 1.46 1.42 2x9mC1 LYS 339 HG3 -0.02 -0.07 0.01 -0.04 1.46 1.34 2x9mC1 LYS 339 HD2 -0.00 -0.05 -0.13 -0.04 1.69 1.46 2x9mC1 LYS 339 HD3 -0.00 0.04 -0.06 -0.04 1.68 1.61 2x9mC1 LYS 339 HE2 -0.01 -0.04 -0.00 -0.04 2.99 2.90 2x9mC1 LYS 339 HE3 -0.00 -0.01 -0.02 -0.04 2.99 2.91 2x9mC1 VAL 340 H -0.02 0.30 0.23 -0.55 8.24 8.20 2x9mC1 VAL 340 HA -0.00 0.17 1.00 -0.75 4.13 4.55 2x9mC1 VAL 340 HB -0.03 0.03 0.06 -0.04 2.12 2.15 2x9mC1 VAL 340 HG13 0.01 -0.02 -0.26 -0.04 0.97 0.67 2x9mC1 VAL 340 HG23 -0.04 0.01 -0.34 -0.04 0.95 0.53 2x9mC1 GLU 341 H 0.04 0.89 0.30 -0.55 8.60 9.29 2x9mC1 GLU 341 HA 0.05 0.11 0.85 -0.75 4.29 4.54 2x9mC1 GLU 341 HB2 0.04 -0.01 -0.02 -0.04 2.09 2.06 2x9mC1 GLU 341 HB3 0.07 -0.02 0.25 -0.04 1.99 2.24 2x9mC1 GLU 341 HG2 0.05 -0.01 -0.02 -0.04 2.34 2.33 2x9mC1 GLU 341 HG3 0.07 -0.08 -0.07 -0.04 2.34 2.22 2x9mC1 ARG 342 H 0.08 0.23 0.13 -0.55 8.46 8.34 2x9mC1 ARG 342 HA 0.20 0.12 0.76 -0.75 4.34 4.66 2x9mC1 ARG 342 HB2 0.04 -0.03 -0.08 -0.04 1.90 1.79 2x9mC1 ARG 342 HB3 0.04 -0.04 -0.29 -0.04 1.80 1.47 2x9mC1 ARG 342 HG2 0.04 -0.05 -0.03 -0.04 1.67 1.59 2x9mC1 ARG 342 HG3 0.08 0.15 -0.20 -0.04 1.67 1.66 2x9mC1 ARG 342 HD2 0.01 0.13 -0.06 -0.04 3.22 3.26 2x9mC1 ARG 342 HD3 0.01 -0.15 -0.56 -0.04 3.22 2.48 2x9mC1 GLY 343 H 0.13 0.04 -0.02 -0.55 8.43 8.04 2x9mC1 GLY 343 HA2 0.13 0.02 0.33 -0.51 4.01 3.98 2x9mC1 GLY 343 HA3 0.24 0.02 0.45 -0.51 4.01 4.21 2x9mC1 LYS 344 H 0.23 0.11 0.21 -0.55 8.42 8.42 2x9mC1 LYS 344 HA 0.04 0.20 0.79 -0.75 4.32 4.59 2x9mC1 LYS 344 HB2 -0.06 0.02 0.16 -0.04 1.87 1.95 2x9mC1 LYS 344 HB3 0.02 -0.02 0.04 -0.04 1.79 1.79 2x9mC1 LYS 344 HG2 0.10 -0.07 0.09 -0.04 1.46 1.53 2x9mC1 LYS 344 HG3 -0.22 0.04 -0.06 -0.04 1.46 1.18 2x9mC1 LYS 344 HD2 0.03 0.01 0.00 -0.04 1.69 1.69 2x9mC1 LYS 344 HD3 -0.02 0.03 0.02 -0.04 1.68 1.68 2x9mC1 LYS 344 HE2 0.05 -0.02 -0.01 -0.04 2.99 2.96 2x9mC1 LYS 344 HE3 0.07 -0.01 0.00 -0.04 2.99 3.01 2x9mC1 TYR 345 H 0.31 0.36 -0.09 -0.55 8.29 8.32 2x9mC1 TYR 345 HA 0.06 0.07 0.65 -0.75 4.56 4.58 2x9mC1 TYR 345 HB2 -0.13 0.13 0.05 -0.04 3.06 3.06 2x9mC1 TYR 345 HB3 -0.12 0.08 -0.02 -0.04 2.98 2.89 2x9mC1 TYR 345 HD2 0.09 0.00 -0.29 -0.04 7.15 6.91 2x9mC1 TYR 345 HE2 0.19 0.00 -0.10 -0.04 6.85 6.90 2x9mC1 ASP 346 H 0.13 0.35 0.35 -0.55 8.40 8.69 2x9mC1 ASP 346 HA 0.06 0.05 0.51 -0.75 4.63 4.49 2x9mC1 ASP 346 HB2 0.20 0.07 0.20 -0.04 2.71 3.14 2x9mC1 ASP 346 HB3 0.05 0.01 -0.06 -0.04 2.70 2.66 2x9mC1 LYS 347 H 0.03 0.29 0.18 -0.55 8.42 8.38 2x9mC1 LYS 347 HA -0.08 0.18 0.80 -0.75 4.32 4.47 2x9mC1 LYS 347 HB2 -0.50 -0.08 0.02 -0.04 1.87 1.27 2x9mC1 LYS 347 HB3 -0.09 0.07 0.01 -0.04 1.79 1.74 2x9mC1 LYS 347 HG2 -0.32 -0.00 0.03 -0.04 1.46 1.13 2x9mC1 LYS 347 HG3 -0.20 -0.08 -0.48 -0.04 1.46 0.66 2x9mC1 LYS 347 HD2 -0.57 -0.12 -0.07 -0.04 1.69 0.90 2x9mC1 LYS 347 HD3 -0.23 0.08 0.00 -0.04 1.68 1.49 2x9mC1 LYS 347 HE2 -0.28 -0.07 0.09 -0.04 2.99 2.69 2x9mC1 LYS 347 HE3 -0.10 -0.12 -0.04 -0.04 2.99 2.68 2x9mC1 VAL 348 H 0.03 0.26 0.13 -0.55 8.24 8.11 2x9mC1 VAL 348 HA -0.04 0.27 0.81 -0.75 4.13 4.41 2x9mC1 VAL 348 HB -0.15 0.00 -0.04 -0.04 2.12 1.89 2x9mC1 VAL 348 HG13 -0.66 -0.02 -0.20 -0.04 0.97 0.04 2x9mC1 VAL 348 HG23 0.01 -0.01 -0.22 -0.04 0.95 0.69 2x9mC1 MET 349 H 0.04 0.43 0.19 -0.55 8.47 8.58 2x9mC1 MET 349 HA 0.13 0.13 0.65 -0.75 4.52 4.67 2x9mC1 MET 349 HB2 0.12 -0.04 -0.49 -0.04 2.15 1.70 2x9mC1 MET 349 HB3 -0.06 -0.04 -0.20 -0.04 2.03 1.69 2x9mC1 MET 349 HG2 -0.07 0.33 -0.04 -0.04 2.63 2.81 2x9mC1 MET 349 HG3 -0.10 -0.03 0.00 -0.04 2.56 2.40 2x9mC1 MET 349 HE3 -0.86 0.04 -0.14 -0.04 2.10 1.10 2x9mC1 PRO 350 HA 0.16 0.13 0.72 -0.51 4.44 4.94 2x9mC1 PRO 350 HB2 0.13 0.22 0.01 -0.04 2.28 2.60 2x9mC1 PRO 350 HB3 0.03 -0.09 0.05 -0.04 2.02 1.97 2x9mC1 PRO 350 HG2 0.10 0.13 0.02 -0.04 2.03 2.24 2x9mC1 PRO 350 HG3 0.01 -0.03 -0.32 -0.04 2.03 1.66 2x9mC1 PRO 350 HD2 0.07 0.06 0.12 -0.04 3.68 3.89 2x9mC1 PRO 350 HD3 0.04 0.07 -0.01 -0.04 3.65 3.70 2x9mC1 TYR 351 H 0.23 0.53 -0.07 -0.55 8.29 8.43 2x9mC1 TYR 351 HA 0.00 0.09 0.62 -0.75 4.56 4.52 2x9mC1 TYR 351 HB2 -0.05 0.02 -0.57 -0.04 3.06 2.41 2x9mC1 TYR 351 HB3 0.01 0.01 -0.17 -0.04 2.98 2.79 2x9mC1 TYR 351 HD2 -0.13 0.05 -0.20 -0.04 7.15 6.83 2x9mC1 TYR 351 HE2 -0.04 0.08 -0.25 -0.04 6.85 6.59 2x9mC1 GLY 352 H 0.12 0.38 0.04 -0.55 8.43 8.43 2x9mC1 GLY 352 HA2 -0.12 -0.06 0.47 -0.51 4.01 3.79 2x9mC1 GLY 352 HA3 0.04 0.39 0.77 -0.51 4.01 4.70 2x9mC1 PRO 353 HA 0.04 0.20 0.63 -0.51 4.44 4.80 2x9mC1 PRO 353 HB2 0.06 0.10 0.05 -0.04 2.28 2.45 2x9mC1 PRO 353 HB3 -0.03 -0.04 0.19 -0.04 2.02 2.09 2x9mC1 PRO 353 HG2 0.12 0.04 0.15 -0.04 2.03 2.30 2x9mC1 PRO 353 HG3 -0.25 0.01 0.11 -0.04 2.03 1.85 2x9mC1 PRO 353 HD2 0.09 0.19 0.37 -0.04 3.68 4.29 2x9mC1 PRO 353 HD3 -0.18 0.06 0.26 -0.04 3.65 3.75 2x9mC1 SER 354 H 0.12 0.26 0.25 -0.55 8.46 8.54 2x9mC1 SER 354 HA 0.16 0.18 0.96 -0.75 4.49 5.03 2x9mC1 SER 354 HB2 0.19 0.06 0.22 -0.04 3.95 4.38 2x9mC1 SER 354 HB3 0.15 0.00 -0.16 -0.04 3.93 3.87 2x9mC1 GLY 355 H 0.07 0.39 0.37 -0.55 8.43 8.71 2x9mC1 GLY 355 HA2 0.10 0.12 1.09 -0.51 4.01 4.80 2x9mC1 GLY 355 HA3 -0.04 0.14 0.52 -0.51 4.01 4.12 2x9mC1 ILE 356 H 0.07 0.37 0.32 -0.55 8.25 8.46 2x9mC1 ILE 356 HA 0.09 0.20 1.11 -0.75 4.18 4.83 2x9mC1 ILE 356 HB 0.09 0.00 0.10 -0.04 1.89 2.04 2x9mC1 ILE 356 HG12 0.09 0.03 -0.03 -0.04 1.49 1.53 2x9mC1 ILE 356 HG13 0.13 -0.02 -0.29 -0.04 1.21 0.98 2x9mC1 ILE 356 HG23 0.11 0.03 -0.34 -0.04 0.93 0.69 2x9mC1 ILE 356 HD13 -0.01 -0.01 -0.16 -0.04 0.88 0.66 2x9mC1 LYS 357 H 0.09 0.16 0.22 -0.55 8.42 8.33 2x9mC1 LYS 357 HA 0.07 0.27 0.93 -0.75 4.32 4.84 2x9mC1 LYS 357 HB2 0.15 0.03 -0.07 -0.04 1.87 1.93 2x9mC1 LYS 357 HB3 0.06 0.13 0.01 -0.04 1.79 1.95 2x9mC1 LYS 357 HG2 0.07 -0.08 0.17 -0.04 1.46 1.58 2x9mC1 LYS 357 HG3 0.05 -0.06 -0.16 -0.04 1.46 1.24 2x9mC1 LYS 357 HD2 -0.19 -0.03 0.07 -0.04 1.69 1.49 2x9mC1 LYS 357 HD3 0.01 0.23 0.11 -0.04 1.68 1.99 2x9mC1 LYS 357 HE2 0.07 -0.04 0.05 -0.04 2.99 3.03 2x9mC1 LYS 357 HE3 -0.03 -0.02 0.03 -0.04 2.99 2.93 2x9mC1 GLN 358 H 0.12 0.71 0.12 -0.55 8.47 8.87 2x9mC1 GLN 358 HA 0.07 0.12 0.69 -0.75 4.36 4.49 2x9mC1 GLN 358 HB2 0.22 -0.02 0.14 -0.04 2.15 2.44 2x9mC1 GLN 358 HB3 0.08 -0.01 0.06 -0.04 2.02 2.11 2x9mC1 GLN 358 HG2 0.06 0.17 -0.17 -0.04 2.40 2.42 2x9mC1 GLN 358 HG3 0.14 -0.00 -0.28 -0.04 2.39 2.21 2x9mC1 GLN 358 HE21 -0.06 0.01 -0.02 -0.04 6.97 6.86 2x9mC1 GLN 358 HE22 -0.02 0.03 -0.04 -0.04 7.69 7.62 2x9mC1 GLY 359 H 0.05 0.20 0.03 -0.55 8.43 8.16 2x9mC1 GLY 359 HA2 0.05 0.06 0.35 -0.51 4.01 3.96 2x9mC1 GLY 359 HA3 0.03 0.02 0.59 -0.51 4.01 4.15 2x9mC1 ASP 360 H -0.01 0.15 0.23 -0.55 8.40 8.23 2x9mC1 ASP 360 HA -0.07 0.25 0.79 -0.75 4.63 4.85 2x9mC1 ASP 360 HB2 -0.07 -0.02 0.09 -0.04 2.71 2.66 2x9mC1 ASP 360 HB3 -0.22 -0.09 0.18 -0.04 2.70 2.52 2x9mC1 THR 361 H -0.04 0.52 -0.04 -0.55 8.28 8.16 2x9mC1 THR 361 HA -0.27 0.12 0.93 -0.75 4.39 4.42 2x9mC1 THR 361 HB 0.00 0.11 0.18 -0.04 4.32 4.57 2x9mC1 THR 361 HG23 -0.52 0.00 -0.24 -0.04 1.22 0.42 2x9mC1 LEU 362 H -0.31 0.74 0.28 -0.55 8.37 8.54 2x9mC1 LEU 362 HA -0.12 0.20 0.89 -0.75 4.35 4.57 2x9mC1 LEU 362 HB2 0.03 -0.00 0.12 -0.04 1.64 1.75 2x9mC1 LEU 362 HB3 -0.18 0.03 -0.09 -0.04 1.64 1.36 2x9mC1 LEU 362 HG -0.43 0.01 -0.10 -0.04 1.64 1.08 2x9mC1 LEU 362 HD13 -0.41 0.00 -0.11 -0.04 0.93 0.37 2x9mC1 LEU 362 HD23 -0.13 -0.01 -0.29 -0.04 0.89 0.42 2x9mC1 TYR 363 H 0.01 0.68 0.25 -0.55 8.29 8.69 2x9mC1 TYR 363 HA 0.12 0.30 0.94 -0.75 4.56 5.16 2x9mC1 TYR 363 HB2 0.01 -0.05 0.11 -0.04 3.06 3.09 2x9mC1 TYR 363 HB3 0.06 0.02 -0.09 -0.04 2.98 2.93 2x9mC1 TYR 363 HD2 0.02 0.05 -0.23 -0.04 7.15 6.94 2x9mC1 TYR 363 HE2 -0.00 -0.00 -0.16 -0.04 6.85 6.64 2x9mC1 PHE 364 H 0.47 0.60 0.19 -0.55 8.34 9.05 2x9mC1 PHE 364 HA 0.16 0.11 0.69 -0.75 4.62 4.83 2x9mC1 PHE 364 HB2 0.12 -0.07 0.02 -0.04 3.15 3.18 2x9mC1 PHE 364 HB3 0.13 0.16 -0.05 -0.04 3.06 3.25 2x9mC1 PHE 364 HD2 0.10 0.08 -0.21 -0.04 7.28 7.21 2x9mC1 PHE 364 HE2 0.13 0.06 -0.12 -0.04 7.38 7.40 2x9mC1 PHE 364 HZ 0.15 0.00 -0.20 -0.04 7.32 7.24 2x9mC1 PRO 365 HA 0.26 0.18 0.75 -0.51 4.44 5.12 2x9mC1 PRO 365 HB2 0.13 0.19 -0.04 -0.04 2.28 2.52 2x9mC1 PRO 365 HB3 0.09 -0.08 -0.05 -0.04 2.02 1.94 2x9mC1 PRO 365 HG2 0.18 -0.03 -0.11 -0.04 2.03 2.02 2x9mC1 PRO 365 HG3 0.12 0.11 0.13 -0.04 2.03 2.35 2x9mC1 PRO 365 HD2 0.26 0.02 -0.01 -0.04 3.68 3.91 2x9mC1 PRO 365 HD3 0.15 0.18 -0.00 -0.04 3.65 3.94 2x9mC1 ALA 366 H 0.25 0.70 0.41 -0.55 8.40 9.22 2x9mC1 ALA 366 HA 0.23 -0.00 0.83 -0.75 4.34 4.64 2x9mC1 ALA 366 HB3 0.28 -0.02 -0.39 -0.04 1.41 1.25 2x9mC1 VAL 367 H 0.13 0.65 0.23 -0.55 8.24 8.70 2x9mC1 VAL 367 HA 0.16 0.22 0.81 -0.75 4.13 4.57 2x9mC1 VAL 367 HB 0.12 0.02 -0.28 -0.04 2.12 1.94 2x9mC1 VAL 367 HG13 -0.46 0.00 -0.27 -0.04 0.97 0.21 2x9mC1 VAL 367 HG23 -0.30 0.00 -0.27 -0.04 0.95 0.34 2x9mC1 GLY 368 H -0.13 0.73 0.31 -0.55 8.43 8.80 2x9mC1 GLY 368 HA2 -0.48 0.21 1.03 -0.51 4.01 4.25 2x9mC1 GLY 368 HA3 -1.03 -0.02 0.32 -0.51 4.01 2.78 2x9mC1 PHE 369 H 0.26 0.84 0.30 -0.55 8.34 9.19 2x9mC1 PHE 369 HA -0.05 0.28 0.93 -0.75 4.62 5.03 2x9mC1 PHE 369 HB2 -0.35 -0.15 0.20 -0.04 3.15 2.81 2x9mC1 PHE 369 HB3 -0.82 -0.04 -0.05 -0.04 3.06 2.11 2x9mC1 PHE 369 HD2 -0.26 0.02 -0.23 -0.04 7.28 6.77 2x9mC1 PHE 369 HE2 -0.21 0.04 -0.25 -0.04 7.38 6.92 2x9mC1 PHE 369 HZ -0.43 -0.07 -0.35 -0.04 7.32 6.43 2x9mC1 LEU 370 H 0.19 0.78 0.29 -0.55 8.37 9.08 2x9mC1 LEU 370 HA 0.15 0.11 0.96 -0.75 4.35 4.81 2x9mC1 LEU 370 HB2 -0.14 -0.03 -0.16 -0.04 1.64 1.27 2x9mC1 LEU 370 HB3 0.10 0.01 -0.00 -0.04 1.64 1.70 2x9mC1 LEU 370 HG 0.06 0.13 -0.26 -0.04 1.64 1.54 2x9mC1 LEU 370 HD13 -0.28 -0.02 -0.04 -0.04 0.93 0.55 2x9mC1 LEU 370 HD23 0.12 -0.00 -0.15 -0.04 0.89 0.81 2x9mC1 PRO 371 HA 0.00 0.17 0.58 -0.51 4.44 4.68 2x9mC1 PRO 371 HB2 0.00 -0.15 0.07 -0.04 2.28 2.16 2x9mC1 PRO 371 HB3 -0.09 0.06 0.12 -0.04 2.02 2.06 2x9mC1 PRO 371 HG2 0.10 0.07 0.10 -0.04 2.03 2.26 2x9mC1 PRO 371 HG3 0.24 0.06 0.07 -0.04 2.03 2.36 2x9mC1 PRO 371 HD2 0.08 0.16 0.24 -0.04 3.68 4.13 2x9mC1 PRO 371 HD3 0.26 0.13 0.26 -0.04 3.65 4.25 2x9mC1 ARG 372 H -0.14 0.75 0.40 -0.55 8.46 8.91 2x9mC1 ARG 372 HA 0.02 0.07 0.34 -0.75 4.34 4.01 2x9mC1 ARG 372 HB2 -0.12 -0.00 0.17 -0.04 1.90 1.91 2x9mC1 ARG 372 HB3 -0.02 -0.04 -0.06 -0.04 1.80 1.64 2x9mC1 ARG 372 HG2 -0.07 -0.07 -0.11 -0.04 1.67 1.38 2x9mC1 ARG 372 HG3 -0.08 0.17 -0.24 -0.04 1.67 1.48 2x9mC1 ARG 372 HD2 -0.06 0.02 -0.09 -0.04 3.22 3.05 2x9mC1 ARG 372 HD3 -0.03 -0.11 -0.07 -0.04 3.22 2.97 2x9mC1 THR 373 H -0.08 0.06 -0.19 -0.55 8.28 7.52 2x9mC1 THR 373 HA 0.01 0.10 0.37 -0.75 4.39 4.12 2x9mC1 THR 373 HB -0.02 0.01 0.02 -0.04 4.32 4.29 2x9mC1 THR 373 HG23 -0.07 0.00 0.03 -0.04 1.22 1.14 2x9mC1 GLU 374 H 0.03 0.18 -0.34 -0.55 8.60 7.92 2x9mC1 GLU 374 HA 0.02 0.09 0.61 -0.75 4.29 4.26 2x9mC1 GLU 374 HB2 0.04 0.10 0.04 -0.04 2.09 2.23 2x9mC1 GLU 374 HB3 0.01 -0.02 0.11 -0.04 1.99 2.05 2x9mC1 GLU 374 HG2 0.01 -0.00 -0.03 -0.04 2.34 2.28 2x9mC1 GLU 374 HG3 0.02 -0.11 -0.02 -0.04 2.34 2.19 2x9mC1 PHE 375 H 0.19 0.28 -0.48 -0.55 8.34 7.78 2x9mC1 PHE 375 HA 0.02 -0.03 0.38 -0.75 4.62 4.22 2x9mC1 PHE 375 HB2 0.02 0.00 -0.05 -0.04 3.15 3.08 2x9mC1 PHE 375 HB3 0.02 0.19 0.15 -0.04 3.06 3.38 2x9mC1 PHE 375 HD2 0.03 -0.02 -0.09 -0.04 7.28 7.16 2x9mC1 PHE 375 HE2 -0.07 -0.04 -0.11 -0.04 7.38 7.11 2x9mC1 PHE 375 HZ -0.01 -0.02 -0.13 -0.04 7.32 7.13 2x9mC1 GLN 376 H -0.13 0.15 0.19 -0.55 8.47 8.13 2x9mC1 GLN 376 HA -0.13 0.07 0.55 -0.75 4.36 4.11 2x9mC1 GLN 376 HB2 -0.07 0.04 0.18 -0.04 2.15 2.26 2x9mC1 GLN 376 HB3 -0.10 -0.05 0.05 -0.04 2.02 1.88 2x9mC1 GLN 376 HG2 -0.04 -0.04 0.01 -0.04 2.40 2.29 2x9mC1 GLN 376 HG3 -0.06 -0.05 -0.02 -0.04 2.39 2.22 2x9mC1 GLN 376 HE21 -0.01 0.02 -0.04 -0.04 6.97 6.89 2x9mC1 GLN 376 HE22 -0.03 -0.07 -0.03 -0.04 7.69 7.53 2x9mC1 TYR 377 H -0.11 0.28 0.16 -0.55 8.29 8.07 2x9mC1 TYR 377 HA -0.21 0.04 0.57 -0.75 4.56 4.21 2x9mC1 TYR 377 HB2 -0.96 0.13 -0.39 -0.04 3.06 1.80 2x9mC1 TYR 377 HB3 -0.24 0.01 -0.14 -0.04 2.98 2.57 2x9mC1 TYR 377 HD2 0.01 -0.03 -0.31 -0.04 7.15 6.78 2x9mC1 TYR 377 HE2 0.11 -0.01 -0.15 -0.04 6.85 6.76 2x9mC1 ASN 378 H -0.54 0.19 0.10 -0.55 8.53 7.75 2x9mC1 ASN 378 HA -0.06 0.16 0.86 -0.75 4.76 4.96 2x9mC1 ASN 378 HB2 -0.24 0.05 0.17 -0.04 2.88 2.82 2x9mC1 ASN 378 HB3 -0.12 -0.11 0.04 -0.04 2.79 2.56 2x9mC1 ASN 378 HD21 -0.08 0.04 -0.04 -0.04 7.03 6.92 2x9mC1 ASN 378 HD22 -0.13 0.02 0.01 -0.04 7.74 7.59 2x9mC1 ASP 379 H 0.04 0.22 0.15 -0.55 8.40 8.27 2x9mC1 ASP 379 HA 0.25 0.14 0.33 -0.75 4.63 4.61 2x9mC1 ASP 379 HB2 0.05 -0.02 0.06 -0.04 2.71 2.76 2x9mC1 ASP 379 HB3 0.06 -0.03 -0.07 -0.04 2.70 2.62 2x9mC1 SER 380 H -0.03 0.02 -0.35 -0.55 8.46 7.55 2x9mC1 SER 380 HA -0.01 0.12 0.56 -0.75 4.49 4.40 2x9mC1 SER 380 HB2 -0.03 0.06 -0.00 -0.04 3.95 3.93 2x9mC1 SER 380 HB3 -0.02 0.00 0.08 -0.04 3.93 3.94 2x9mC1 ASN 381 H -0.11 0.34 -0.24 -0.55 8.53 7.98 2x9mC1 ASN 381 HA -0.02 0.10 0.54 -0.75 4.76 4.63 2x9mC1 ASN 381 HB2 -0.30 0.12 0.08 -0.04 2.88 2.74 2x9mC1 ASN 381 HB3 -0.05 0.01 0.16 -0.04 2.79 2.87 2x9mC1 ASN 381 HD21 -0.16 -0.03 0.03 -0.04 7.03 6.83 2x9mC1 ASN 381 HD22 -0.38 0.01 0.09 -0.04 7.74 7.42 2x9mC1 CYS 382 H 0.06 0.27 -0.55 -0.55 8.50 7.73 2x9mC1 CYS 382 HA 0.15 0.16 0.64 -0.75 4.58 4.77 2x9mC1 CYS 382 HB2 0.19 -0.04 0.13 -0.04 2.97 3.20 2x9mC1 CYS 382 HB3 0.02 0.03 0.23 -0.04 2.97 3.21 2x9mC1 PRO 383 HA -0.03 0.00 0.38 -0.51 4.44 4.28 2x9mC1 PRO 383 HB2 0.07 -0.01 0.17 -0.04 2.28 2.46 2x9mC1 PRO 383 HB3 0.08 0.03 0.10 -0.04 2.02 2.20 2x9mC1 PRO 383 HG2 0.03 0.08 0.18 -0.04 2.03 2.28 2x9mC1 PRO 383 HG3 0.28 0.06 0.14 -0.04 2.03 2.46 2x9mC1 PRO 383 HD2 -0.04 0.04 0.15 -0.04 3.68 3.79 2x9mC1 PRO 383 HD3 0.18 0.31 0.34 -0.04 3.65 4.45 2x9mC1 ILE 384 H -0.09 0.36 0.32 -0.55 8.25 8.29 2x9mC1 ILE 384 HA -0.14 0.20 0.79 -0.75 4.18 4.28 2x9mC1 ILE 384 HB -0.10 0.08 0.01 -0.04 1.89 1.83 2x9mC1 ILE 384 HG12 -0.08 0.13 0.04 -0.04 1.49 1.54 2x9mC1 ILE 384 HG13 -0.09 -0.02 -0.27 -0.04 1.21 0.80 2x9mC1 ILE 384 HG23 -0.14 0.04 -0.44 -0.04 0.93 0.35 2x9mC1 ILE 384 HD13 -0.05 0.01 -0.09 -0.04 0.88 0.70 2x9mC1 ILE 385 H -0.18 0.13 -0.12 -0.55 8.25 7.54 2x9mC1 ILE 385 HA -0.18 0.12 0.10 -0.75 4.18 3.47 2x9mC1 ILE 385 HB -0.72 0.03 -0.02 -0.04 1.89 1.13 2x9mC1 ILE 385 HG12 -0.16 -0.01 0.06 -0.04 1.49 1.34 2x9mC1 ILE 385 HG13 -0.13 0.04 0.03 -0.04 1.21 1.10 2x9mC1 ILE 385 HG23 -0.20 0.00 0.04 -0.04 0.93 0.73 2x9mC1 ILE 385 HD13 -0.10 -0.02 0.02 -0.04 0.88 0.74 2x9mC1 HIS 386 H -0.18 0.11 -0.24 -0.55 8.41 7.54 2x9mC1 HIS 386 HA -0.04 0.19 0.79 -0.75 4.63 4.82 2x9mC1 HIS 386 HB2 -0.01 0.04 0.04 -0.04 3.26 3.29 2x9mC1 HIS 386 HB3 -0.02 0.01 0.15 -0.04 3.20 3.29 2x9mC1 HIS 386 HD2 -0.02 0.04 -0.08 -0.04 6.97 6.87 2x9mC1 HIS 386 HE1 0.00 0.02 -0.04 -0.04 7.75 7.69 2x9mC1 CYS 387 H -0.07 0.47 -0.46 -0.55 8.50 7.90 2x9mC1 CYS 387 HA -0.04 0.11 0.86 -0.75 4.58 4.76 2x9mC1 CYS 387 HB2 -0.08 0.08 0.12 -0.04 2.97 3.05 2x9mC1 CYS 387 HB3 -0.05 -0.03 -0.01 -0.04 2.97 2.84 2x9mC1 LYS 388 H -0.16 0.18 0.06 -0.55 8.42 7.94 2x9mC1 LYS 388 HA -0.21 0.08 0.26 -0.75 4.32 3.70 2x9mC1 LYS 388 HB2 -0.68 -0.02 0.11 -0.04 1.87 1.24 2x9mC1 LYS 388 HB3 -0.88 0.01 -0.01 -0.04 1.79 0.88 2x9mC1 LYS 388 HG2 -0.19 0.02 0.03 -0.04 1.46 1.27 2x9mC1 LYS 388 HG3 -0.19 0.02 0.03 -0.04 1.46 1.28 2x9mC1 LYS 388 HD2 -0.26 -0.01 0.01 -0.04 1.69 1.39 2x9mC1 LYS 388 HD3 -0.13 -0.00 0.01 -0.04 1.68 1.52 2x9mC1 LYS 388 HE2 -0.12 0.02 0.02 -0.04 2.99 2.86 2x9mC1 LYS 388 HE3 -0.39 0.00 0.01 -0.04 2.99 2.57 2x9mC1 TYR 389 H -0.12 0.05 -0.29 -0.55 8.29 7.38 2x9mC1 TYR 389 HA -0.02 0.20 0.76 -0.75 4.56 4.75 2x9mC1 TYR 389 HB2 -0.01 0.02 0.08 -0.04 3.06 3.11 2x9mC1 TYR 389 HB3 -0.01 -0.00 0.16 -0.04 2.98 3.09 2x9mC1 TYR 389 HD2 -0.01 0.06 -0.05 -0.04 7.15 7.12 2x9mC1 TYR 389 HE2 -0.00 0.00 -0.03 -0.04 6.85 6.78 2x9mC1 SER 390 H -0.03 0.49 -0.23 -0.55 8.46 8.14 2x9mC1 SER 390 HA -0.03 0.16 0.95 -0.75 4.49 4.82 2x9mC1 SER 390 HB2 -0.09 0.06 0.11 -0.04 3.95 3.99 2x9mC1 SER 390 HB3 -0.14 0.00 0.00 -0.04 3.93 3.75 2x9mC1 LYS 391 H -0.05 0.16 0.15 -0.55 8.42 8.12 2x9mC1 LYS 391 HA -0.03 0.24 0.90 -0.75 4.32 4.68 2x9mC1 LYS 391 HB2 -0.02 -0.05 0.06 -0.04 1.87 1.82 2x9mC1 LYS 391 HB3 -0.01 -0.09 0.11 -0.04 1.79 1.75 2x9mC1 LYS 391 HG2 0.00 0.11 -0.13 -0.04 1.46 1.40 2x9mC1 LYS 391 HG3 0.00 0.05 -0.11 -0.04 1.46 1.36 2x9mC1 LYS 391 HD2 0.00 -0.03 -0.01 -0.04 1.69 1.61 2x9mC1 LYS 391 HD3 0.00 -0.02 0.01 -0.04 1.68 1.63 2x9mC1 LYS 391 HE2 0.02 0.04 -0.04 -0.04 2.99 2.96 2x9mC1 LYS 391 HE3 0.01 0.03 -0.03 -0.04 2.99 2.95 2x9mC1 ALA 392 H -0.02 0.18 0.16 -0.55 8.40 8.18 2x9mC1 ALA 392 HA -0.03 0.18 0.39 -0.75 4.34 4.13 2x9mC1 ALA 392 HB3 0.00 0.03 0.10 -0.04 1.41 1.50 2x9mC1 GLU 393 H -0.00 0.05 -0.21 -0.55 8.60 7.89 2x9mC1 GLU 393 HA 0.04 0.08 0.38 -0.75 4.29 4.05 2x9mC1 GLU 393 HB2 0.02 0.05 0.05 -0.04 2.09 2.17 2x9mC1 GLU 393 HB3 0.02 0.00 0.07 -0.04 1.99 2.04 2x9mC1 GLU 393 HG2 -0.00 -0.11 -0.04 -0.04 2.34 2.16 2x9mC1 GLU 393 HG3 -0.00 0.05 -0.21 -0.04 2.34 2.14 2x9mC1 ASN 394 H -0.04 0.43 -0.49 -0.55 8.53 7.88 2x9mC1 ASN 394 HA -0.01 -0.01 0.03 -0.75 4.76 4.01 2x9mC1 ASN 394 HB2 -0.16 0.20 -0.07 -0.04 2.88 2.80 2x9mC1 ASN 394 HB3 -0.13 -0.02 -0.40 -0.04 2.79 2.20 2x9mC1 ASN 394 HD21 -0.03 -0.00 0.12 -0.04 7.03 7.07 2x9mC1 ASN 394 HD22 -0.11 0.46 0.02 -0.04 7.74 8.07 2x9mC1 CYS 395 H -0.05 0.22 -0.20 -0.55 8.50 7.93 2x9mC1 CYS 395 HA 0.23 0.09 0.32 -0.75 4.58 4.47 2x9mC1 CYS 395 HB2 0.12 -0.04 0.01 -0.04 2.97 3.03 2x9mC1 CYS 395 HB3 0.20 0.07 -0.09 -0.04 2.97 3.11 2x9mC1 ARG 396 H -0.03 0.13 -0.22 -0.55 8.46 7.80 2x9mC1 ARG 396 HA -0.15 0.07 0.31 -0.75 4.34 3.83 2x9mC1 ARG 396 HB2 -0.03 -0.05 -0.01 -0.04 1.90 1.77 2x9mC1 ARG 396 HB3 0.04 0.08 0.12 -0.04 1.80 1.99 2x9mC1 ARG 396 HG2 0.07 0.03 -0.29 -0.04 1.67 1.43 2x9mC1 ARG 396 HG3 0.23 0.02 -0.08 -0.04 1.67 1.80 2x9mC1 ARG 396 HD2 0.15 0.05 -0.04 -0.04 3.22 3.33 2x9mC1 ARG 396 HD3 0.19 0.03 -0.05 -0.04 3.22 3.35 2x9mC1 LEU 397 H 0.01 0.48 -0.08 -0.55 8.37 8.23 2x9mC1 LEU 397 HA -0.00 0.08 0.37 -0.75 4.35 4.04 2x9mC1 LEU 397 HB2 0.02 0.02 -0.00 -0.04 1.64 1.63 2x9mC1 LEU 397 HB3 0.01 -0.08 -0.01 -0.04 1.64 1.52 2x9mC1 LEU 397 HG 0.02 0.08 0.00 -0.04 1.64 1.70 2x9mC1 LEU 397 HD13 0.01 -0.05 -0.10 -0.04 0.93 0.75 2x9mC1 LEU 397 HD23 0.01 0.01 0.04 -0.04 0.89 0.91 2x9mC1 SER 398 H 0.06 0.54 -0.36 -0.55 8.46 8.15 2x9mC1 SER 398 HA 0.08 0.06 0.47 -0.75 4.49 4.35 2x9mC1 SER 398 HB2 0.25 0.02 0.30 -0.04 3.95 4.48 2x9mC1 SER 398 HB3 0.18 -0.10 0.19 -0.04 3.93 4.16 2x9mC1 MET 399 H -0.04 0.46 -0.55 -0.55 8.47 7.80 2x9mC1 MET 399 HA -0.04 0.03 0.76 -0.75 4.52 4.52 2x9mC1 MET 399 HB2 -0.28 0.23 0.12 -0.04 2.15 2.18 2x9mC1 MET 399 HB3 -0.36 -0.12 0.12 -0.04 2.03 1.62 2x9mC1 MET 399 HG2 -0.05 0.28 -0.04 -0.04 2.63 2.79 2x9mC1 MET 399 HG3 -0.12 -0.10 -0.07 -0.04 2.56 2.23 2x9mC1 MET 399 HE3 -0.03 0.02 -0.00 -0.04 2.10 2.04 2x9mC1 GLY 400 H -0.07 0.31 -0.21 -0.55 8.43 7.91 2x9mC1 GLY 400 HA2 -0.17 0.05 0.90 -0.51 4.01 4.28 2x9mC1 GLY 400 HA3 -0.12 0.10 0.37 -0.51 4.01 3.84 2x9mC1 VAL 401 H -0.33 0.11 0.14 -0.55 8.24 7.61 2x9mC1 VAL 401 HA -1.10 0.16 0.44 -0.75 4.13 2.87 2x9mC1 VAL 401 HB -0.53 -0.05 0.14 -0.04 2.12 1.64 2x9mC1 VAL 401 HG13 -0.71 -0.01 -0.12 -0.04 0.97 0.09 2x9mC1 VAL 401 HG23 -1.89 0.02 -0.00 -0.04 0.95 -0.96 2x9mC1 ASN 402 H -0.15 0.08 -0.04 -0.55 8.53 7.88 2x9mC1 ASN 402 HA 0.01 0.22 0.20 -0.75 4.76 4.43 2x9mC1 ASN 402 HB2 0.01 -0.07 0.15 -0.04 2.88 2.92 2x9mC1 ASN 402 HB3 -0.00 0.15 0.04 -0.04 2.79 2.94 2x9mC1 ASN 402 HD21 -0.02 -0.01 -0.05 -0.04 7.03 6.91 2x9mC1 ASN 402 HD22 -0.02 0.10 -0.08 -0.04 7.74 7.69 2x9mC1 SER 403 H 0.01 0.14 0.07 -0.55 8.46 8.14 2x9mC1 SER 403 HA -0.00 0.30 0.19 -0.75 4.49 4.23 2x9mC1 SER 403 HB2 0.01 -0.00 0.07 -0.04 3.95 3.99 2x9mC1 SER 403 HB3 0.02 0.01 0.07 -0.04 3.93 3.99 2x9mC1 LYS 404 H -0.01 -0.01 -0.34 -0.55 8.42 7.50 2x9mC1 LYS 404 HA -0.02 0.26 0.89 -0.75 4.32 4.70 2x9mC1 LYS 404 HB2 -0.00 -0.08 0.01 -0.04 1.87 1.76 2x9mC1 LYS 404 HB3 -0.01 -0.01 0.05 -0.04 1.79 1.78 2x9mC1 LYS 404 HG2 -0.01 0.04 0.04 -0.04 1.46 1.49 2x9mC1 LYS 404 HG3 -0.00 0.01 -0.11 -0.04 1.46 1.31 2x9mC1 LYS 404 HD2 0.00 -0.02 -0.03 -0.04 1.69 1.59 2x9mC1 LYS 404 HD3 -0.00 -0.01 -0.01 -0.04 1.68 1.62 2x9mC1 LYS 404 HE2 -0.00 0.02 -0.00 -0.04 2.99 2.96 2x9mC1 LYS 404 HE3 -0.00 -0.01 -0.02 -0.04 2.99 2.92 2x9mC1 SER 405 H -0.03 0.39 -0.19 -0.55 8.46 8.08 2x9mC1 SER 405 HA -0.01 -0.07 0.22 -0.75 4.49 3.88 2x9mC1 SER 405 HB2 -0.02 -0.05 0.10 -0.04 3.95 3.95 2x9mC1 SER 405 HB3 -0.07 -0.18 0.15 -0.04 3.93 3.80 2x9mC1 HIS 406 H 0.07 0.02 0.18 -0.55 8.41 8.13 2x9mC1 HIS 406 HA -0.13 0.10 0.46 -0.75 4.63 4.31 2x9mC1 HIS 406 HB2 -0.16 0.00 0.17 -0.04 3.26 3.24 2x9mC1 HIS 406 HB3 -0.36 -0.07 0.15 -0.04 3.20 2.87 2x9mC1 HIS 406 HD2 -0.13 0.01 0.04 -0.04 6.97 6.85 2x9mC1 HIS 406 HE1 -0.26 0.01 -0.02 -0.04 7.75 7.44 2x9mC1 TYR 407 H 0.16 -0.00 0.01 -0.55 8.29 7.91 2x9mC1 TYR 407 HA 0.07 0.10 0.72 -0.75 4.56 4.69 2x9mC1 TYR 407 HB2 0.17 -0.05 -0.06 -0.04 3.06 3.08 2x9mC1 TYR 407 HB3 0.16 0.13 -0.06 -0.04 2.98 3.17 2x9mC1 TYR 407 HD2 0.19 -0.06 -0.33 -0.04 7.15 6.92 2x9mC1 TYR 407 HE2 0.04 -0.00 -0.27 -0.04 6.85 6.57 2x9mC1 ILE 408 H 0.06 0.84 0.31 -0.55 8.25 8.91 2x9mC1 ILE 408 HA -0.13 0.16 0.73 -0.75 4.18 4.18 2x9mC1 ILE 408 HB -0.45 0.14 -0.01 -0.04 1.89 1.53 2x9mC1 ILE 408 HG12 -0.73 -0.03 -0.12 -0.04 1.49 0.57 2x9mC1 ILE 408 HG13 -0.10 0.00 0.03 -0.04 1.21 1.11 2x9mC1 ILE 408 HG23 -0.35 -0.01 -0.14 -0.04 0.93 0.39 2x9mC1 ILE 408 HD13 -0.19 -0.01 -0.44 -0.04 0.88 0.20 2x9mC1 LEU 409 H -0.16 0.68 0.34 -0.55 8.37 8.68 2x9mC1 LEU 409 HA -0.23 0.30 1.07 -0.75 4.35 4.73 2x9mC1 LEU 409 HB2 -0.13 0.06 0.15 -0.04 1.64 1.68 2x9mC1 LEU 409 HB3 -0.25 -0.02 -0.02 -0.04 1.64 1.31 2x9mC1 LEU 409 HG -0.27 -0.06 -0.07 -0.04 1.64 1.20 2x9mC1 LEU 409 HD13 -0.32 0.02 -0.10 -0.04 0.93 0.48 2x9mC1 LEU 409 HD23 -0.74 0.01 -0.26 -0.04 0.89 -0.14 2x9mC1 ARG 410 H -0.06 0.53 0.32 -0.55 8.46 8.70 2x9mC1 ARG 410 HA 0.08 0.16 0.96 -0.75 4.34 4.78 2x9mC1 ARG 410 HB2 0.24 0.02 -0.11 -0.04 1.90 2.00 2x9mC1 ARG 410 HB3 0.19 -0.08 0.14 -0.04 1.80 2.00 2x9mC1 ARG 410 HG2 0.29 -0.08 -0.00 -0.04 1.67 1.84 2x9mC1 ARG 410 HG3 0.16 0.19 -0.00 -0.04 1.67 1.98 2x9mC1 ARG 410 HD2 0.18 0.03 0.07 -0.04 3.22 3.46 2x9mC1 ARG 410 HD3 0.30 -0.04 -0.03 -0.04 3.22 3.41 2x9mC1 SER 411 H 0.11 0.21 0.23 -0.55 8.46 8.45 2x9mC1 SER 411 HA 0.17 0.17 0.71 -0.75 4.49 4.80 2x9mC1 SER 411 HB2 0.15 0.02 0.20 -0.04 3.95 4.28 2x9mC1 SER 411 HB3 0.25 0.02 0.17 -0.04 3.93 4.32 2x9mC1 GLY 412 H 0.22 0.61 0.43 -0.55 8.43 9.15 2x9mC1 GLY 412 HA2 -0.06 -0.03 0.44 -0.51 4.01 3.85 2x9mC1 GLY 412 HA3 -0.23 0.13 0.45 -0.51 4.01 3.85 2x9mC1 LEU 413 H -0.22 0.52 0.29 -0.55 8.37 8.41 2x9mC1 LEU 413 HA 0.19 0.34 0.98 -0.75 4.35 5.10 2x9mC1 LEU 413 HB2 0.07 -0.05 0.02 -0.04 1.64 1.64 2x9mC1 LEU 413 HB3 0.28 0.01 -0.12 -0.04 1.64 1.77 2x9mC1 LEU 413 HG 0.05 -0.07 -0.24 -0.04 1.64 1.35 2x9mC1 LEU 413 HD13 -0.05 0.00 -0.11 -0.04 0.93 0.73 2x9mC1 LEU 413 HD23 0.30 0.03 -0.21 -0.04 0.89 0.96 2x9mC1 LEU 414 H 0.27 0.67 0.14 -0.55 8.37 8.90 2x9mC1 LEU 414 HA 0.18 0.21 0.83 -0.75 4.35 4.81 2x9mC1 LEU 414 HB2 0.22 0.02 -0.02 -0.04 1.64 1.81 2x9mC1 LEU 414 HB3 0.12 0.00 -0.19 -0.04 1.64 1.54 2x9mC1 LEU 414 HG 0.32 -0.03 -0.35 -0.04 1.64 1.54 2x9mC1 LEU 414 HD13 0.08 0.00 -0.35 -0.04 0.93 0.62 2x9mC1 LEU 414 HD23 0.18 -0.00 -0.31 -0.04 0.89 0.72 2x9mC1 LYS 415 H 0.10 0.88 0.29 -0.55 8.42 9.14 2x9mC1 LYS 415 HA -0.19 0.25 0.72 -0.75 4.32 4.35 2x9mC1 LYS 415 HB2 0.07 0.00 -0.04 -0.04 1.87 1.86 2x9mC1 LYS 415 HB3 0.02 -0.03 0.15 -0.04 1.79 1.89 2x9mC1 LYS 415 HG2 -0.25 -0.03 -0.19 -0.04 1.46 0.95 2x9mC1 LYS 415 HG3 -0.41 -0.01 -0.11 -0.04 1.46 0.89 2x9mC1 LYS 415 HD2 0.03 0.03 -0.08 -0.04 1.69 1.63 2x9mC1 LYS 415 HD3 -0.03 -0.04 -0.11 -0.04 1.68 1.46 2x9mC1 LYS 415 HE2 0.02 -0.01 -0.07 -0.04 2.99 2.89 2x9mC1 LYS 415 HE3 -0.03 -0.04 -0.09 -0.04 2.99 2.80 2x9mC1 TYR 416 H -0.14 0.63 0.27 -0.55 8.29 8.50 2x9mC1 TYR 416 HA -0.08 0.23 0.87 -0.75 4.56 4.83 2x9mC1 TYR 416 HB2 0.00 0.04 -0.22 -0.04 3.06 2.84 2x9mC1 TYR 416 HB3 0.03 -0.03 0.08 -0.04 2.98 3.02 2x9mC1 TYR 416 HD2 -0.06 0.06 -0.10 -0.04 7.15 7.01 2x9mC1 TYR 416 HE2 -0.14 0.01 -0.13 -0.04 6.85 6.56 2x9mC1 ASN 417 H -0.03 0.28 0.12 -0.55 8.53 8.35 2x9mC1 ASN 417 HA -0.28 0.04 0.67 -0.75 4.76 4.45 2x9mC1 ASN 417 HB2 -0.10 0.01 0.06 -0.04 2.88 2.81 2x9mC1 ASN 417 HB3 -0.08 0.06 0.19 -0.04 2.79 2.92 2x9mC1 ASN 417 HD21 -0.05 0.00 -0.04 -0.04 7.03 6.91 2x9mC1 ASN 417 HD22 -0.04 0.05 -0.02 -0.04 7.74 7.69 2x9mC1 LEU 418 H -0.43 0.74 0.43 -0.55 8.37 8.56 2x9mC1 LEU 418 HA -0.46 0.15 0.39 -0.75 4.35 3.68 2x9mC1 LEU 418 HB2 -0.43 0.04 0.18 -0.04 1.64 1.38 2x9mC1 LEU 418 HB3 -0.32 -0.03 0.04 -0.04 1.64 1.28 2x9mC1 LEU 418 HG -0.84 0.07 0.05 -0.04 1.64 0.88 2x9mC1 LEU 418 HD13 -0.85 -0.02 -0.05 -0.04 0.93 -0.03 2x9mC1 LEU 418 HD23 -0.67 -0.00 -0.08 -0.04 0.89 0.10 2x9mC1 SER 419 H -0.17 0.01 -0.22 -0.55 8.46 7.53 2x9mC1 SER 419 HA -0.08 0.05 0.30 -0.75 4.49 4.00 2x9mC1 SER 419 HB2 -0.07 -0.02 -0.01 -0.04 3.95 3.81 2x9mC1 SER 419 HB3 -0.04 0.02 -0.00 -0.04 3.93 3.86 2x9mC1 LEU 420 H -0.08 0.15 -0.36 -0.55 8.37 7.54 2x9mC1 LEU 420 HA -0.03 0.09 0.92 -0.75 4.35 4.59 2x9mC1 LEU 420 HB2 -0.02 0.08 0.09 -0.04 1.64 1.75 2x9mC1 LEU 420 HB3 -0.01 0.08 -0.05 -0.04 1.64 1.62 2x9mC1 LEU 420 HG -0.01 -0.01 -0.01 -0.04 1.64 1.56 2x9mC1 LEU 420 HD13 -0.02 -0.01 -0.07 -0.04 0.93 0.79 2x9mC1 LEU 420 HD23 -0.02 -0.01 0.00 -0.04 0.89 0.82 2x9mC1 GLY 421 H -0.02 0.11 0.14 -0.55 8.43 8.12 2x9mC1 GLY 421 HA2 -0.00 0.23 0.73 -0.51 4.01 4.45 2x9mC1 GLY 421 HA3 -0.00 -0.02 0.35 -0.51 4.01 3.83 2x9mC1 GLY 422 H 0.00 -0.00 0.11 -0.55 8.43 8.00 2x9mC1 GLY 422 HA2 0.01 0.09 0.37 -0.51 4.01 3.97 2x9mC1 GLY 422 HA3 0.00 0.04 0.25 -0.51 4.01 3.80 2x9mC1 ASP 423 H 0.01 0.01 0.01 -0.55 8.40 7.88 2x9mC1 ASP 423 HA -0.00 0.05 0.52 -0.75 4.63 4.44 2x9mC1 ASP 423 HB2 -0.00 0.00 0.01 -0.04 2.71 2.68 2x9mC1 ASP 423 HB3 0.00 -0.02 0.09 -0.04 2.70 2.72 2x9mC1 ILE 424 H -0.02 0.09 0.12 -0.55 8.25 7.89 2x9mC1 ILE 424 HA 0.08 0.26 0.84 -0.75 4.18 4.61 2x9mC1 ILE 424 HB -0.04 0.06 -0.01 -0.04 1.89 1.86 2x9mC1 ILE 424 HG12 -0.43 -0.01 -0.22 -0.04 1.49 0.79 2x9mC1 ILE 424 HG13 -0.09 0.08 -0.08 -0.04 1.21 1.07 2x9mC1 ILE 424 HG23 -0.11 -0.02 0.12 -0.04 0.93 0.88 2x9mC1 ILE 424 HD13 -0.30 -0.01 -0.13 -0.04 0.88 0.41 2x9mC1 ILE 425 H 0.07 0.28 -0.02 -0.55 8.25 8.03 2x9mC1 ILE 425 HA -0.02 0.38 0.92 -0.75 4.18 4.71 2x9mC1 ILE 425 HB 0.01 -0.07 -0.09 -0.04 1.89 1.70 2x9mC1 ILE 425 HG12 0.03 -0.01 -0.45 -0.04 1.49 1.02 2x9mC1 ILE 425 HG13 0.01 0.06 -0.19 -0.04 1.21 1.06 2x9mC1 ILE 425 HG23 0.04 0.01 0.02 -0.04 0.93 0.95 2x9mC1 ILE 425 HD13 0.02 -0.02 -0.12 -0.04 0.88 0.71 2x9mC1 LEU 426 H -0.03 0.49 0.30 -0.55 8.37 8.58 2x9mC1 LEU 426 HA 0.04 0.38 1.02 -0.75 4.35 5.04 2x9mC1 LEU 426 HB2 -0.02 -0.06 0.05 -0.04 1.64 1.57 2x9mC1 LEU 426 HB3 0.01 -0.00 -0.12 -0.04 1.64 1.49 2x9mC1 LEU 426 HG -0.16 0.02 -0.15 -0.04 1.64 1.31 2x9mC1 LEU 426 HD13 -0.14 -0.01 -0.19 -0.04 0.93 0.55 2x9mC1 LEU 426 HD23 -0.27 0.01 -0.29 -0.04 0.89 0.30 2x9mC1 GLN 427 H 0.07 0.57 0.29 -0.55 8.47 8.86 2x9mC1 GLN 427 HA 0.10 0.30 1.09 -0.75 4.36 5.08 2x9mC1 GLN 427 HB2 0.05 -0.04 -0.07 -0.04 2.15 2.06 2x9mC1 GLN 427 HB3 0.06 -0.07 0.07 -0.04 2.02 2.03 2x9mC1 GLN 427 HG2 0.09 0.20 -0.14 -0.04 2.40 2.50 2x9mC1 GLN 427 HG3 0.08 -0.04 0.03 -0.04 2.39 2.42 2x9mC1 GLN 427 HE21 0.04 -0.03 -0.05 -0.04 6.97 6.89 2x9mC1 GLN 427 HE22 0.06 -0.01 -0.04 -0.04 7.69 7.66 2x9mC1 PHE 428 H 0.24 0.61 0.30 -0.55 8.34 8.93 2x9mC1 PHE 428 HA 0.06 0.24 0.84 -0.75 4.62 5.00 2x9mC1 PHE 428 HB2 0.03 -0.03 -0.04 -0.04 3.15 3.07 2x9mC1 PHE 428 HB3 0.04 -0.05 0.09 -0.04 3.06 3.11 2x9mC1 PHE 428 HD2 -0.02 -0.02 -0.28 -0.04 7.28 6.91 2x9mC1 PHE 428 HE2 -0.45 -0.05 -0.38 -0.04 7.38 6.46 2x9mC1 PHE 428 HZ -0.32 0.13 -0.24 -0.04 7.32 6.84 2x9mC1 ILE 429 H -0.65 0.77 0.29 -0.55 8.25 8.11 2x9mC1 ILE 429 HA -0.21 0.10 0.86 -0.75 4.18 4.18 2x9mC1 ILE 429 HB -0.15 -0.05 0.17 -0.04 1.89 1.82 2x9mC1 ILE 429 HG12 -0.00 -0.00 -0.11 -0.04 1.49 1.33 2x9mC1 ILE 429 HG13 -0.00 0.02 -0.51 -0.04 1.21 0.68 2x9mC1 ILE 429 HG23 -0.11 0.05 -0.04 -0.04 0.93 0.79 2x9mC1 ILE 429 HD13 0.15 -0.01 -0.13 -0.04 0.88 0.85 2x9mC1 GLU 430 H -0.19 0.10 0.08 -0.55 8.60 8.04 2x9mC1 GLU 430 HA -0.35 0.16 0.61 -0.75 4.29 3.95 2x9mC1 GLU 430 HB2 0.16 0.11 0.08 -0.04 2.09 2.39 2x9mC1 GLU 430 HB3 0.20 -0.08 0.05 -0.04 1.99 2.13 2x9mC1 GLU 430 HG2 0.09 -0.12 0.05 -0.04 2.34 2.32 2x9mC1 GLU 430 HG3 0.08 0.16 -0.24 -0.04 2.34 2.30 2x9mC1 ILE 431 H -0.04 0.54 0.34 -0.55 8.25 8.54 2x9mC1 ILE 431 HA -0.13 0.03 0.60 -0.75 4.18 3.93 2x9mC1 ILE 431 HB -0.06 -0.06 -0.07 -0.04 1.89 1.65 2x9mC1 ILE 431 HG12 0.05 0.27 -0.02 -0.04 1.49 1.74 2x9mC1 ILE 431 HG13 -0.20 -0.13 0.02 -0.04 1.21 0.85 2x9mC1 ILE 431 HG23 0.10 0.08 -0.02 -0.04 0.93 1.04 2x9mC1 ILE 431 HD13 -0.05 -0.02 -0.07 -0.04 0.88 0.70 2x9mC1 ALA 432 H -0.08 0.32 0.27 -0.55 8.40 8.36 2x9mC1 ALA 432 HA 0.02 0.04 0.51 -0.75 4.34 4.17 2x9mC1 ALA 432 HB3 -0.04 -0.02 0.17 -0.04 1.41 1.49 2x9mC1 ASP 433 H 0.07 0.09 0.12 -0.55 8.40 8.13 2x9mC1 ASP 433 HA 0.15 0.21 0.47 -0.75 4.63 4.71 2x9mC1 ASP 433 HB2 0.16 0.01 0.15 -0.04 2.71 2.99 2x9mC1 ASP 433 HB3 0.12 0.04 0.09 -0.04 2.70 2.91 2x9mC1 ASN 434 H 0.11 0.03 -0.45 -0.55 8.53 7.67 2x9mC1 ASN 434 HA 0.12 0.04 0.71 -0.75 4.76 4.87 2x9mC1 ASN 434 HB2 0.15 0.05 0.03 -0.04 2.88 3.07 2x9mC1 ASN 434 HB3 0.07 -0.05 0.07 -0.04 2.79 2.83 2x9mC1 ASN 434 HD21 -0.28 0.30 0.16 -0.04 7.03 7.17 2x9mC1 ASN 434 HD22 0.05 -0.03 0.04 -0.04 7.74 7.76 2x9mC1 ARG 435 H 0.13 0.11 0.19 -0.55 8.46 8.35 2x9mC1 ARG 435 HA 0.05 0.02 0.32 -0.75 4.34 3.98 2x9mC1 ARG 435 HB2 0.10 -0.10 -0.12 -0.04 1.90 1.74 2x9mC1 ARG 435 HB3 -0.11 0.16 0.02 -0.04 1.80 1.82 2x9mC1 ARG 435 HG2 -0.50 0.05 0.09 -0.04 1.67 1.26 2x9mC1 ARG 435 HG3 -0.16 0.00 0.06 -0.04 1.67 1.53 2x9mC1 ARG 435 HD2 -0.08 -0.04 -0.00 -0.04 3.22 3.06 2x9mC1 ARG 435 HD3 -0.14 -0.05 -0.03 -0.04 3.22 2.96 2x9mC1 LEU 436 H 0.14 0.09 -0.20 -0.55 8.37 7.85 2x9mC1 LEU 436 HA 0.09 0.11 0.18 -0.75 4.35 3.98 2x9mC1 LEU 436 HB2 0.20 -0.01 0.02 -0.04 1.64 1.80 2x9mC1 LEU 436 HB3 0.24 -0.05 -0.02 -0.04 1.64 1.77 2x9mC1 LEU 436 HG 0.15 0.05 -0.14 -0.04 1.64 1.66 2x9mC1 LEU 436 HD13 0.16 0.00 -0.02 -0.04 0.93 1.04 2x9mC1 LEU 436 HD23 0.34 -0.03 -0.06 -0.04 0.89 1.10 2x9mC1 THR 437 H 0.02 0.27 0.18 -0.55 8.28 8.21 2x9mC1 THR 437 HA -0.09 0.05 0.65 -0.75 4.39 4.24 2x9mC1 THR 437 HB -0.22 0.03 -0.07 -0.04 4.32 4.02 2x9mC1 THR 437 HG23 -0.17 0.04 -0.12 -0.04 1.22 0.93 2x9mC1 ILE 438 H -0.01 0.12 0.10 -0.55 8.25 7.91 2x9mC1 ILE 438 HA 0.00 0.08 0.45 -0.75 4.18 3.96 2x9mC1 ILE 438 HB 0.08 0.24 0.21 -0.04 1.89 2.39 2x9mC1 ILE 438 HG12 0.10 0.18 -0.17 -0.04 1.49 1.55 2x9mC1 ILE 438 HG13 -0.03 0.08 0.07 -0.04 1.21 1.29 2x9mC1 ILE 438 HG23 0.25 -0.01 -0.17 -0.04 0.93 0.96 2x9mC1 ILE 438 HD13 -0.04 -0.02 -0.43 -0.04 0.88 0.35 2x9mC1 GLY 439 H 0.00 0.51 0.07 -0.55 8.43 8.47 2x9mC1 GLY 439 HA2 0.08 -0.07 0.46 -0.51 4.01 3.96 2x9mC1 GLY 439 HA3 0.04 -0.12 -0.04 -0.51 4.01 3.38 2x9mC1 SER 440 H 0.06 0.22 0.23 -0.55 8.46 8.42 2x9mC1 SER 440 HA -0.13 0.09 0.66 -0.75 4.49 4.35 2x9mC1 SER 440 HB2 -0.75 -0.09 -0.04 -0.04 3.95 3.04 2x9mC1 SER 440 HB3 -0.20 0.06 -0.25 -0.04 3.93 3.50 2x9mC1 PRO 441 HA -0.65 0.22 0.23 -0.51 4.44 3.73 2x9mC1 PRO 441 HB2 -0.21 -0.04 0.04 -0.04 2.28 2.03 2x9mC1 PRO 441 HB3 -0.45 0.02 -0.02 -0.04 2.02 1.53 2x9mC1 PRO 441 HG2 -0.25 -0.02 0.04 -0.04 2.03 1.76 2x9mC1 PRO 441 HG3 -0.81 0.03 0.01 -0.04 2.03 1.23 2x9mC1 PRO 441 HD2 -1.19 0.06 0.10 -0.04 3.68 2.61 2x9mC1 PRO 441 HD3 -0.89 0.14 0.14 -0.04 3.65 3.00 2x9mC1 SER 442 H -0.06 0.57 0.57 -0.55 8.46 9.00 2x9mC1 SER 442 HA 0.05 0.16 1.13 -0.75 4.49 5.07 2x9mC1 SER 442 HB2 0.08 -0.01 0.22 -0.04 3.95 4.20 2x9mC1 SER 442 HB3 -0.43 -0.05 0.23 -0.04 3.93 3.64 2x9mC1 LYS 443 H -0.30 0.64 0.49 -0.55 8.42 8.70 2x9mC1 LYS 443 HA 0.07 0.19 1.07 -0.75 4.32 4.89 2x9mC1 LYS 443 HB2 0.33 -0.03 -0.08 -0.04 1.87 2.05 2x9mC1 LYS 443 HB3 0.24 -0.06 0.24 -0.04 1.79 2.16 2x9mC1 LYS 443 HG2 0.22 0.12 -0.04 -0.04 1.46 1.72 2x9mC1 LYS 443 HG3 0.18 -0.06 0.16 -0.04 1.46 1.70 2x9mC1 LYS 443 HD2 0.12 -0.08 0.06 -0.04 1.69 1.75 2x9mC1 LYS 443 HD3 -0.03 -0.01 -0.02 -0.04 1.68 1.57 2x9mC1 LYS 443 HE2 0.07 -0.01 0.03 -0.04 2.99 3.03 2x9mC1 LYS 443 HE3 0.13 -0.02 0.05 -0.04 2.99 3.10 2x9mC1 ILE 444 H 0.08 0.48 0.46 -0.55 8.25 8.72 2x9mC1 ILE 444 HA 0.04 0.33 1.17 -0.75 4.18 4.97 2x9mC1 ILE 444 HB 0.22 -0.01 0.03 -0.04 1.89 2.09 2x9mC1 ILE 444 HG12 0.06 -0.06 -0.13 -0.04 1.49 1.32 2x9mC1 ILE 444 HG13 0.12 0.09 0.03 -0.04 1.21 1.42 2x9mC1 ILE 444 HG23 0.14 -0.02 0.10 -0.04 0.93 1.11 2x9mC1 ILE 444 HD13 0.08 -0.02 -0.09 -0.04 0.88 0.81 2x9mC1 TYR 445 H -0.15 0.51 0.38 -0.55 8.29 8.48 2x9mC1 TYR 445 HA 0.08 0.11 0.78 -0.75 4.56 4.77 2x9mC1 TYR 445 HB2 0.14 0.05 0.08 -0.04 3.06 3.29 2x9mC1 TYR 445 HB3 0.13 0.09 -0.19 -0.04 2.98 2.97 2x9mC1 TYR 445 HD2 -0.35 0.05 -0.26 -0.04 7.15 6.55 2x9mC1 TYR 445 HE2 -0.58 -0.03 -0.04 -0.04 6.85 6.15 2x9mC1 ASN 446 H 0.18 0.15 0.21 -0.55 8.53 8.52 2x9mC1 ASN 446 HA -0.05 0.19 0.72 -0.75 4.76 4.87 2x9mC1 ASN 446 HB2 0.10 -0.01 0.17 -0.04 2.88 3.10 2x9mC1 ASN 446 HB3 0.06 -0.07 -0.08 -0.04 2.79 2.67 2x9mC1 ASN 446 HD21 0.01 0.05 -0.13 -0.04 7.03 6.92 2x9mC1 ASN 446 HD22 0.01 -0.06 -0.37 -0.04 7.74 7.28 2x9mC1 SER 447 H -0.07 0.76 0.25 -0.55 8.46 8.85 2x9mC1 SER 447 HA 0.14 0.05 0.55 -0.75 4.49 4.47 2x9mC1 SER 447 HB2 -0.14 0.08 -0.03 -0.04 3.95 3.82 2x9mC1 SER 447 HB3 -0.19 -0.03 0.06 -0.04 3.93 3.73 2x9mC1 LEU 448 H 0.07 0.19 0.12 -0.55 8.37 8.20 2x9mC1 LEU 448 HA 0.02 0.04 0.34 -0.75 4.35 3.99 2x9mC1 LEU 448 HB2 -0.07 0.15 0.08 -0.04 1.64 1.76 2x9mC1 LEU 448 HB3 -0.03 -0.01 0.23 -0.04 1.64 1.79 2x9mC1 LEU 448 HG -0.00 0.02 -0.20 -0.04 1.64 1.41 2x9mC1 LEU 448 HD13 -0.09 0.04 -0.15 -0.04 0.93 0.69 2x9mC1 LEU 448 HD23 0.01 0.02 0.03 -0.04 0.89 0.92 2x9mC1 GLY 449 H 0.03 0.04 -0.26 -0.55 8.43 7.69 2x9mC1 GLY 449 HA2 0.02 -0.02 0.29 -0.51 4.01 3.78 2x9mC1 GLY 449 HA3 0.00 0.16 0.51 -0.51 4.01 4.18 2x9mC1 GLN 450 H -0.03 0.37 -0.35 -0.55 8.47 7.91 2x9mC1 GLN 450 HA -0.03 0.22 1.03 -0.75 4.36 4.83 2x9mC1 GLN 450 HB2 -0.04 0.01 0.01 -0.04 2.15 2.09 2x9mC1 GLN 450 HB3 -0.03 0.09 0.10 -0.04 2.02 2.14 2x9mC1 GLN 450 HG2 -0.01 0.04 -0.12 -0.04 2.40 2.27 2x9mC1 GLN 450 HG3 -0.01 -0.01 -0.23 -0.04 2.39 2.10 2x9mC1 GLN 450 HE21 0.02 -0.03 0.00 -0.04 6.97 6.92 2x9mC1 GLN 450 HE22 -0.00 0.03 0.00 -0.04 7.69 7.68 2x9mC1 PRO 451 HA -0.13 0.20 0.64 -0.51 4.44 4.63 2x9mC1 PRO 451 HB2 -0.08 -0.00 -0.03 -0.04 2.28 2.12 2x9mC1 PRO 451 HB3 -0.06 0.01 0.00 -0.04 2.02 1.93 2x9mC1 PRO 451 HG2 -0.08 0.05 0.03 -0.04 2.03 1.99 2x9mC1 PRO 451 HG3 -0.05 0.03 0.04 -0.04 2.03 2.00 2x9mC1 PRO 451 HD2 -0.05 0.17 0.24 -0.04 3.68 3.99 2x9mC1 PRO 451 HD3 -0.04 0.15 0.29 -0.04 3.65 4.00 2x9mC1 VAL 452 H -0.37 0.56 0.45 -0.55 8.24 8.33 2x9mC1 VAL 452 HA -0.11 0.10 0.94 -0.75 4.13 4.31 2x9mC1 VAL 452 HB -1.40 0.04 0.10 -0.04 2.12 0.82 2x9mC1 VAL 452 HG13 0.00 -0.02 -0.14 -0.04 0.97 0.78 2x9mC1 VAL 452 HG23 -0.22 -0.01 -0.18 -0.04 0.95 0.50 2x9mC1 PHE 453 H 0.11 0.67 0.36 -0.55 8.34 8.93 2x9mC1 PHE 453 HA 0.07 0.32 1.20 -0.75 4.62 5.46 2x9mC1 PHE 453 HB2 -0.12 -0.09 -0.09 -0.04 3.15 2.81 2x9mC1 PHE 453 HB3 -0.11 -0.04 0.00 -0.04 3.06 2.87 2x9mC1 PHE 453 HD2 0.15 -0.05 -0.20 -0.04 7.28 7.14 2x9mC1 PHE 453 HE2 0.12 0.00 -0.11 -0.04 7.38 7.35 2x9mC1 PHE 453 HZ 0.10 0.02 -0.01 -0.04 7.32 7.39 2x9mC1 TYR 454 H -0.14 0.68 0.49 -0.55 8.29 8.77 2x9mC1 TYR 454 HA 0.27 0.29 0.95 -0.75 4.56 5.32 2x9mC1 TYR 454 HB2 0.16 0.00 0.20 -0.04 3.06 3.38 2x9mC1 TYR 454 HB3 0.05 -0.04 0.27 -0.04 2.98 3.22 2x9mC1 TYR 454 HD2 -0.05 -0.01 -0.02 -0.04 7.15 7.03 2x9mC1 TYR 454 HE2 -0.60 -0.04 -0.10 -0.04 6.85 6.07 2x9mC1 GLN 455 H -0.30 0.60 0.26 -0.55 8.47 8.48 2x9mC1 GLN 455 HA -0.22 0.14 0.98 -0.75 4.36 4.51 2x9mC1 GLN 455 HB2 0.49 -0.09 -0.02 -0.04 2.15 2.49 2x9mC1 GLN 455 HB3 -0.05 -0.02 0.06 -0.04 2.02 1.97 2x9mC1 GLN 455 HG2 -0.17 0.35 -0.16 -0.04 2.40 2.38 2x9mC1 GLN 455 HG3 -0.01 0.02 0.05 -0.04 2.39 2.41 2x9mC1 GLN 455 HE21 0.05 -0.00 -0.05 -0.04 6.97 6.93 2x9mC1 GLN 455 HE22 0.02 -0.05 0.07 -0.04 7.69 7.69 2x9mC1 ALA 456 H -0.28 0.51 0.15 -0.55 8.40 8.24 2x9mC1 ALA 456 HA -0.32 0.02 0.47 -0.75 4.34 3.75 2x9mC1 ALA 456 HB3 -0.01 -0.02 -0.03 -0.04 1.41 1.31 2x9mC1 SER 457 H -0.02 0.16 0.06 -0.55 8.46 8.11 2x9mC1 SER 457 HA -0.14 0.16 0.81 -0.75 4.49 4.56 2x9mC1 SER 457 HB2 -0.09 -0.03 0.14 -0.04 3.95 3.93 2x9mC1 SER 457 HB3 -0.16 0.11 -0.04 -0.04 3.93 3.80 2x9mC1 TYR 458 H 0.10 0.30 -0.15 -0.55 8.29 7.98 2x9mC1 TYR 458 HA -0.13 0.20 0.32 -0.75 4.56 4.20 2x9mC1 TYR 458 HB2 0.06 0.11 -0.08 -0.04 3.06 3.11 2x9mC1 TYR 458 HB3 0.03 -0.03 0.06 -0.04 2.98 2.99 2x9mC1 TYR 458 HD2 0.02 -0.02 -0.38 -0.04 7.15 6.74 2x9mC1 TYR 458 HE2 0.00 -0.08 -0.23 -0.04 6.85 6.50 2x9mC1 SER 459 H -0.05 0.12 -0.60 -0.55 8.46 7.38 2x9mC1 SER 459 HA 0.10 0.29 0.84 -0.75 4.49 4.97 2x9mC1 SER 459 HB2 0.04 0.04 -0.14 -0.04 3.95 3.85 2x9mC1 SER 459 HB3 -0.31 -0.11 0.10 -0.04 3.93 3.56 2x9mC1 TRP 460 H -0.16 0.12 0.14 -0.55 7.97 7.53 2x9mC1 TRP 460 HA 0.01 0.16 0.44 -0.75 4.62 4.47 2x9mC1 TRP 460 HB2 0.02 0.24 -0.08 -0.04 3.23 3.37 2x9mC1 TRP 460 HB3 0.03 -0.03 0.13 -0.04 3.23 3.32 2x9mC1 TRP 460 HD1 0.03 0.17 0.17 -0.04 7.22 7.55 2x9mC1 TRP 460 HE1 0.02 0.04 0.02 -0.04 10.20 10.24 2x9mC1 TRP 460 HE3 0.01 -0.04 -0.84 -0.04 7.59 6.69 2x9mC1 TRP 460 HZ2 0.05 0.00 0.01 -0.04 7.44 7.46 2x9mC1 TRP 460 HZ3 0.02 0.10 -0.01 -0.04 7.13 7.19 2x9mC1 TRP 460 HH2 0.03 -0.02 0.03 -0.04 7.19 7.19 2x9mC1 ASP 461 H -0.99 0.01 -0.18 -0.55 8.40 6.69 2x9mC1 ASP 461 HA -0.26 0.11 0.60 -0.75 4.63 4.32 2x9mC1 ASP 461 HB2 -1.81 -0.05 0.06 -0.04 2.71 0.87 2x9mC1 ASP 461 HB3 -0.70 0.02 0.14 -0.04 2.70 2.12 2x9mC1 THR 462 H -0.03 0.68 0.13 -0.55 8.28 8.51 2x9mC1 THR 462 HA -0.13 0.11 -0.01 -0.75 4.39 3.60 2x9mC1 THR 462 HB -0.11 -0.07 0.11 -0.04 4.32 4.22 2x9mC1 THR 462 HG23 -0.00 0.23 -0.07 -0.04 1.22 1.34 2x9mC1 MET 463 H -0.09 0.05 -0.19 -0.55 8.47 7.70 2x9mC1 MET 463 HA -0.09 0.01 0.62 -0.75 4.52 4.31 2x9mC1 MET 463 HB2 -0.07 -0.01 -0.00 -0.04 2.15 2.03 2x9mC1 MET 463 HB3 -0.04 0.13 0.07 -0.04 2.03 2.15 2x9mC1 MET 463 HG2 0.01 -0.02 -0.06 -0.04 2.63 2.53 2x9mC1 MET 463 HG3 0.02 0.02 -0.01 -0.04 2.56 2.55 2x9mC1 MET 463 HE3 0.06 0.09 -0.27 -0.04 2.10 1.95 2x9mC1 ILE 464 H -0.08 0.52 0.33 -0.55 8.25 8.47 2x9mC1 ILE 464 HA -0.04 0.02 0.30 -0.75 4.18 3.71 2x9mC1 ILE 464 HB -0.05 0.08 0.04 -0.04 1.89 1.91 2x9mC1 ILE 464 HG12 0.22 -0.09 -0.37 -0.04 1.49 1.21 2x9mC1 ILE 464 HG13 0.28 0.03 -0.03 -0.04 1.21 1.45 2x9mC1 ILE 464 HG23 0.00 -0.03 0.03 -0.04 0.93 0.89 2x9mC1 ILE 464 HD13 0.13 -0.02 -0.12 -0.04 0.88 0.83 2x9mC1 LYS 465 H -0.13 0.22 0.20 -0.55 8.42 8.15 2x9mC1 LYS 465 HA -0.23 0.13 0.93 -0.75 4.32 4.40 2x9mC1 LYS 465 HB2 -0.46 0.23 0.21 -0.04 1.87 1.81 2x9mC1 LYS 465 HB3 -1.14 -0.11 0.03 -0.04 1.79 0.53 2x9mC1 LYS 465 HG2 -0.90 -0.04 -0.01 -0.04 1.46 0.47 2x9mC1 LYS 465 HG3 -0.43 0.22 -0.12 -0.04 1.46 1.09 2x9mC1 LYS 465 HD2 -0.47 0.04 -0.03 -0.04 1.69 1.18 2x9mC1 LYS 465 HD3 -0.42 0.05 -0.14 -0.04 1.68 1.13 2x9mC1 LYS 465 HE2 -0.39 -0.04 -0.06 -0.04 2.99 2.47 2x9mC1 LYS 465 HE3 -0.88 -0.12 -0.04 -0.04 2.99 1.90 2x9mC1 LEU 466 H 0.44 0.27 0.22 -0.55 8.37 8.76 2x9mC1 LEU 466 HA 0.53 0.37 0.96 -0.75 4.35 5.46 2x9mC1 LEU 466 HB2 0.46 0.09 -0.22 -0.04 1.64 1.93 2x9mC1 LEU 466 HB3 0.32 -0.02 -0.17 -0.04 1.64 1.72 2x9mC1 LEU 466 HG 0.50 -0.05 -0.30 -0.04 1.64 1.74 2x9mC1 LEU 466 HD13 0.42 0.03 -0.00 -0.04 0.93 1.33 2x9mC1 LEU 466 HD23 0.45 -0.02 -0.18 -0.04 0.89 1.10 2x9mC1 GLY 467 H 0.31 0.54 0.36 -0.55 8.43 9.09 2x9mC1 GLY 467 HA2 -0.04 0.00 0.41 -0.51 4.01 3.88 2x9mC1 GLY 467 HA3 -0.05 0.22 0.38 -0.51 4.01 4.05 2x9mC1 ASP 468 H 0.06 0.19 0.20 -0.55 8.40 8.30 2x9mC1 ASP 468 HA 0.08 0.15 0.67 -0.75 4.63 4.78 2x9mC1 ASP 468 HB2 0.08 -0.03 0.16 -0.04 2.71 2.88 2x9mC1 ASP 468 HB3 0.04 0.12 0.00 -0.04 2.70 2.82 2x9mC1 VAL 469 H -0.07 0.57 0.20 -0.55 8.24 8.40 2x9mC1 VAL 469 HA -0.21 0.03 0.60 -0.75 4.13 3.79 2x9mC1 VAL 469 HB -0.10 0.01 0.01 -0.04 2.12 2.00 2x9mC1 VAL 469 HG13 -0.16 -0.02 -0.43 -0.04 0.97 0.32 2x9mC1 VAL 469 HG23 -0.07 -0.02 -0.24 -0.04 0.95 0.58 2x9mC1 ASP 470 H -0.21 0.73 0.45 -0.55 8.40 8.83 2x9mC1 ASP 470 HA -0.10 0.04 0.48 -0.75 4.63 4.30 2x9mC1 ASP 470 HB2 -0.16 -0.04 -0.06 -0.04 2.71 2.41 2x9mC1 ASP 470 HB3 -0.15 -0.06 0.09 -0.04 2.70 2.54 2x9mC1 THR 471 H -0.15 0.25 0.23 -0.55 8.28 8.07 2x9mC1 THR 471 HA -0.09 0.14 0.62 -0.75 4.39 4.30 2x9mC1 THR 471 HB -0.08 -0.02 -0.12 -0.04 4.32 4.06 2x9mC1 THR 471 HG23 -0.06 -0.01 -0.13 -0.04 1.22 0.98 2x9mC1 VAL 472 H -0.12 0.10 -0.00 -0.55 8.24 7.66 2x9mC1 VAL 472 HA -0.21 0.11 0.61 -0.75 4.13 3.89 2x9mC1 VAL 472 HB -0.24 -0.03 0.03 -0.04 2.12 1.84 2x9mC1 VAL 472 HG13 -0.73 0.00 -0.25 -0.04 0.97 -0.05 2x9mC1 VAL 472 HG23 -0.20 0.01 -0.12 -0.04 0.95 0.60 2x9mC1 ASP 473 H -0.10 0.11 -0.10 -0.55 8.40 7.77 2x9mC1 ASP 473 HA -0.06 0.08 0.59 -0.75 4.63 4.49 2x9mC1 ASP 473 HB2 0.05 0.01 -0.14 -0.04 2.71 2.58 2x9mC1 ASP 473 HB3 0.02 -0.03 0.08 -0.04 2.70 2.73 2x9mC1 PRO 474 HA -0.06 0.05 0.24 -0.51 4.44 4.17 2x9mC1 PRO 474 HB2 -0.05 0.05 -0.19 -0.04 2.28 2.05 2x9mC1 PRO 474 HB3 -0.03 0.06 0.01 -0.04 2.02 2.02 2x9mC1 PRO 474 HG2 -0.02 0.02 0.01 -0.04 2.03 2.00 2x9mC1 PRO 474 HG3 -0.01 0.02 0.01 -0.04 2.03 2.00 2x9mC1 PRO 474 HD2 -0.04 0.04 0.10 -0.04 3.68 3.74 2x9mC1 PRO 474 HD3 -0.02 0.16 0.43 -0.04 3.65 4.17 2x9mC1 LEU 475 H -0.12 0.18 -0.01 -0.55 8.37 7.88 2x9mC1 LEU 475 HA -0.19 0.26 0.45 -0.75 4.35 4.13 2x9mC1 LEU 475 HB2 -0.18 0.11 0.06 -0.04 1.64 1.59 2x9mC1 LEU 475 HB3 -0.19 -0.01 0.00 -0.04 1.64 1.40 2x9mC1 LEU 475 HG -0.43 -0.10 -0.28 -0.04 1.64 0.79 2x9mC1 LEU 475 HD13 -0.32 0.01 -0.01 -0.04 0.93 0.57 2x9mC1 LEU 475 HD23 -0.46 -0.01 -0.14 -0.04 0.89 0.24 2x9mC1 ARG 476 H -0.22 0.62 0.31 -0.55 8.46 8.61 2x9mC1 ARG 476 HA -0.24 0.04 0.77 -0.75 4.34 4.16 2x9mC1 ARG 476 HB2 -0.12 0.07 -0.25 -0.04 1.90 1.56 2x9mC1 ARG 476 HB3 -0.15 -0.14 0.10 -0.04 1.80 1.56 2x9mC1 ARG 476 HG2 -0.19 0.11 -0.07 -0.04 1.67 1.48 2x9mC1 ARG 476 HG3 -0.10 -0.04 0.04 -0.04 1.67 1.53 2x9mC1 ARG 476 HD2 -0.07 -0.00 -0.06 -0.04 3.22 3.04 2x9mC1 ARG 476 HD3 -0.11 -0.05 -0.10 -0.04 3.22 2.92 2x9mC1 VAL 477 H -0.55 0.22 0.13 -0.55 8.24 7.50 2x9mC1 VAL 477 HA -0.49 0.14 0.89 -0.75 4.13 3.92 2x9mC1 VAL 477 HB -2.35 0.04 -0.04 -0.04 2.12 -0.27 2x9mC1 VAL 477 HG13 -0.79 0.03 -0.40 -0.04 0.97 -0.24 2x9mC1 VAL 477 HG23 -0.88 -0.00 -0.17 -0.04 0.95 -0.14 2x9mC1 GLN 478 H -0.33 0.76 0.14 -0.55 8.47 8.49 2x9mC1 GLN 478 HA -0.23 0.11 0.80 -0.75 4.36 4.28 2x9mC1 GLN 478 HB2 -0.16 0.00 0.21 -0.04 2.15 2.16 2x9mC1 GLN 478 HB3 -0.15 0.02 0.09 -0.04 2.02 1.94 2x9mC1 GLN 478 HG2 -0.12 0.01 -0.01 -0.04 2.40 2.24 2x9mC1 GLN 478 HG3 -0.16 -0.04 -0.08 -0.04 2.39 2.07 2x9mC1 GLN 478 HE21 -0.05 -0.01 -0.01 -0.04 6.97 6.85 2x9mC1 GLN 478 HE22 -0.07 -0.01 -0.03 -0.04 7.69 7.54 2x9mC1 TRP 479 H -0.37 0.26 -0.22 -0.55 7.97 7.09 2x9mC1 TRP 479 HA -0.07 0.05 0.23 -0.75 4.62 4.07 2x9mC1 TRP 479 HB2 -0.06 -0.05 0.00 -0.04 3.23 3.08 2x9mC1 TRP 479 HB3 -0.05 0.14 0.04 -0.04 3.23 3.32 2x9mC1 TRP 479 HD1 -0.04 -0.10 -0.09 -0.04 7.22 6.95 2x9mC1 TRP 479 HE1 -0.04 0.37 0.00 -0.04 10.20 10.48 2x9mC1 TRP 479 HE3 0.02 -0.09 -0.21 -0.04 7.59 7.27 2x9mC1 TRP 479 HZ2 -0.07 0.03 -0.07 -0.04 7.44 7.29 2x9mC1 TRP 479 HZ3 0.17 0.04 -0.44 -0.04 7.13 6.87 2x9mC1 TRP 479 HH2 0.15 -0.02 -0.15 -0.04 7.19 7.13 2x9mC1 ARG 480 H 0.06 0.67 0.47 -0.55 8.46 9.11 2x9mC1 ARG 480 HA -0.20 0.02 0.65 -0.75 4.34 4.05 2x9mC1 ARG 480 HB2 -0.04 0.00 0.12 -0.04 1.90 1.94 2x9mC1 ARG 480 HB3 -0.19 -0.07 0.04 -0.04 1.80 1.54 2x9mC1 ARG 480 HG2 -0.35 0.31 0.12 -0.04 1.67 1.71 2x9mC1 ARG 480 HG3 -0.56 -0.05 -0.01 -0.04 1.67 1.01 2x9mC1 ARG 480 HD2 -0.73 0.12 0.06 -0.04 3.22 2.63 2x9mC1 ARG 480 HD3 -2.51 -0.11 0.06 -0.04 3.22 0.62 2x9mC1 ASN 481 H -0.06 0.11 0.10 -0.55 8.53 8.13 2x9mC1 ASN 481 HA 0.00 0.19 0.69 -0.75 4.76 4.89 2x9mC1 ASN 481 HB2 -0.02 -0.06 0.20 -0.04 2.88 2.96 2x9mC1 ASN 481 HB3 -0.00 0.01 0.11 -0.04 2.79 2.87 2x9mC1 ASN 481 HD21 -0.02 -0.00 0.02 -0.04 7.03 7.00 2x9mC1 ASN 481 HD22 -0.03 -0.04 0.07 -0.04 7.74 7.69 2x9mC1 ASN 482 H 0.00 0.50 -0.34 -0.55 8.53 8.14 2x9mC1 ASN 482 HA 0.02 0.13 0.71 -0.75 4.76 4.87 2x9mC1 ASN 482 HB2 0.07 -0.06 0.02 -0.04 2.88 2.87 2x9mC1 ASN 482 HB3 0.02 0.15 0.11 -0.04 2.79 3.03 2x9mC1 ASN 482 HD21 0.28 0.05 -0.13 -0.04 7.03 7.19 2x9mC1 ASN 482 HD22 0.29 -0.05 -0.10 -0.04 7.74 7.84 2x9mC1 SER 483 H 0.00 0.61 0.35 -0.55 8.46 8.88 2x9mC1 SER 483 HA 0.01 0.21 0.80 -0.75 4.49 4.75 2x9mC1 SER 483 HB2 -0.01 -0.03 0.11 -0.04 3.95 3.99 2x9mC1 SER 483 HB3 -0.00 0.04 -0.17 -0.04 3.93 3.75 2x9mC1 VAL 484 H -0.05 0.06 0.07 -0.55 8.24 7.78 2x9mC1 VAL 484 HA 0.01 0.25 0.91 -0.75 4.13 4.54 2x9mC1 VAL 484 HB -0.09 -0.01 -0.05 -0.04 2.12 1.93 2x9mC1 VAL 484 HG13 -0.03 -0.01 -0.40 -0.04 0.97 0.48 2x9mC1 VAL 484 HG23 -0.10 0.01 -0.31 -0.04 0.95 0.50 2x9mC1 ILE 485 H -0.13 0.06 -0.01 -0.55 8.25 7.62 2x9mC1 ILE 485 HA -0.37 0.19 0.95 -0.75 4.18 4.20 2x9mC1 ILE 485 HB -0.40 -0.05 0.06 -0.04 1.89 1.45 2x9mC1 ILE 485 HG12 -0.67 -0.14 -0.42 -0.04 1.49 0.22 2x9mC1 ILE 485 HG13 -1.69 0.01 -0.18 -0.04 1.21 -0.69 2x9mC1 ILE 485 HG23 -0.34 0.03 -0.13 -0.04 0.93 0.45 2x9mC1 ILE 485 HD13 -0.77 0.04 -0.13 -0.04 0.88 -0.02 2x9mC1 SER 486 H -0.33 0.14 0.02 -0.55 8.46 7.75 2x9mC1 SER 486 HA -0.19 0.30 0.89 -0.75 4.49 4.74 2x9mC1 SER 486 HB2 -0.50 -0.03 -0.15 -0.04 3.95 3.24 2x9mC1 SER 486 HB3 -0.83 0.02 0.08 -0.04 3.93 3.16 2x9mC1 ARG 487 H -0.25 0.22 0.25 -0.55 8.46 8.12 2x9mC1 ARG 487 HA -0.09 0.09 0.56 -0.75 4.34 4.14 2x9mC1 ARG 487 HB2 -0.04 -0.02 0.22 -0.04 1.90 2.03 2x9mC1 ARG 487 HB3 -0.06 0.04 -0.16 -0.04 1.80 1.58 2x9mC1 ARG 487 HG2 -0.09 0.21 -0.27 -0.04 1.67 1.48 2x9mC1 ARG 487 HG3 -0.04 -0.14 0.09 -0.04 1.67 1.54 2x9mC1 ARG 487 HD2 -0.09 0.05 0.05 -0.04 3.22 3.19 2x9mC1 ARG 487 HD3 -0.12 -0.17 0.12 -0.04 3.22 3.00 2x9mC1 PRO 488 HA -0.08 0.09 0.47 -0.51 4.44 4.40 2x9mC1 PRO 488 HB2 -0.05 -0.06 -0.41 -0.04 2.28 1.72 2x9mC1 PRO 488 HB3 -0.04 0.04 -0.17 -0.04 2.02 1.81 2x9mC1 PRO 488 HG2 -0.04 -0.07 0.01 -0.04 2.03 1.90 2x9mC1 PRO 488 HG3 -0.03 0.08 0.13 -0.04 2.03 2.17 2x9mC1 PRO 488 HD2 -0.05 0.04 0.16 -0.04 3.68 3.79 2x9mC1 PRO 488 HD3 -0.03 0.10 0.32 -0.04 3.65 3.99 2x9mC1 GLY 489 H -0.06 0.31 0.23 -0.55 8.43 8.37 2x9mC1 GLY 489 HA2 -0.10 0.13 0.73 -0.51 4.01 4.27 2x9mC1 GLY 489 HA3 -0.06 0.39 0.40 -0.51 4.01 4.23 2x9mC1 GLN 490 H -0.04 0.20 -0.05 -0.55 8.47 8.04 2x9mC1 GLN 490 HA -0.03 0.27 0.61 -0.75 4.36 4.46 2x9mC1 GLN 490 HB2 -0.04 0.01 -0.00 -0.04 2.15 2.08 2x9mC1 GLN 490 HB3 -0.02 -0.17 0.16 -0.04 2.02 1.94 2x9mC1 GLN 490 HG2 -0.04 -0.03 0.11 -0.04 2.40 2.40 2x9mC1 GLN 490 HG3 -0.06 0.24 -0.11 -0.04 2.39 2.42 2x9mC1 GLN 490 HE21 -0.10 -0.00 0.01 -0.04 6.97 6.83 2x9mC1 GLN 490 HE22 -0.09 0.04 -0.03 -0.04 7.69 7.57 2x9mC1 SER 491 H -0.01 0.14 0.10 -0.55 8.46 8.15 2x9mC1 SER 491 HA 0.01 0.06 0.25 -0.75 4.49 4.05 2x9mC1 SER 491 HB2 0.00 -0.01 0.14 -0.04 3.95 4.04 2x9mC1 SER 491 HB3 0.01 -0.03 0.10 -0.04 3.93 3.97 2x9mC1 GLN 492 H 0.02 -0.02 -0.29 -0.55 8.47 7.62 2x9mC1 GLN 492 HA 0.03 0.07 0.27 -0.75 4.36 3.98 2x9mC1 GLN 492 HB2 0.03 -0.07 0.03 -0.04 2.15 2.10 2x9mC1 GLN 492 HB3 0.05 -0.01 -0.05 -0.04 2.02 1.97 2x9mC1 GLN 492 HG2 0.06 0.13 -0.14 -0.04 2.40 2.40 2x9mC1 GLN 492 HG3 0.06 0.03 -0.20 -0.04 2.39 2.23 2x9mC1 GLN 492 HE21 0.02 -0.03 0.01 -0.04 6.97 6.93 2x9mC1 GLN 492 HE22 0.03 0.06 0.02 -0.04 7.69 7.76 2x9mC1 CYS 493 H 0.03 -0.04 -0.25 -0.55 8.50 7.68 2x9mC1 CYS 493 HA 0.07 0.20 0.81 -0.75 4.58 4.92 2x9mC1 CYS 493 HB2 0.05 -0.11 -0.02 -0.04 2.97 2.85 2x9mC1 CYS 493 HB3 0.08 0.21 0.02 -0.04 2.97 3.24 2x9mC1 PRO 494 HA -0.02 -0.03 0.52 -0.51 4.44 4.40 2x9mC1 PRO 494 HB2 0.03 0.03 0.07 -0.04 2.28 2.37 2x9mC1 PRO 494 HB3 0.01 -0.07 -0.04 -0.04 2.02 1.89 2x9mC1 PRO 494 HG2 0.05 0.02 -0.04 -0.04 2.03 2.03 2x9mC1 PRO 494 HG3 0.04 0.04 -0.03 -0.04 2.03 2.03 2x9mC1 PRO 494 HD2 0.06 0.05 0.04 -0.04 3.68 3.79 2x9mC1 PRO 494 HD3 0.04 0.22 -0.33 -0.04 3.65 3.55 2x9mC1 ARG 495 H -0.05 0.28 0.31 -0.55 8.46 8.45 2x9mC1 ARG 495 HA -0.23 0.19 0.60 -0.75 4.34 4.14 2x9mC1 ARG 495 HB2 -0.13 -0.10 0.19 -0.04 1.90 1.82 2x9mC1 ARG 495 HB3 -0.64 -0.04 -0.13 -0.04 1.80 0.96 2x9mC1 ARG 495 HG2 -0.41 -0.10 0.01 -0.04 1.67 1.13 2x9mC1 ARG 495 HG3 -0.20 0.16 -0.27 -0.04 1.67 1.32 2x9mC1 ARG 495 HD2 -1.21 -0.06 -0.10 -0.04 3.22 1.80 2x9mC1 ARG 495 HD3 -0.30 0.08 -0.14 -0.04 3.22 2.82 2x9mC1 PHE 496 H -0.40 0.12 0.09 -0.55 8.34 7.60 2x9mC1 PHE 496 HA -0.02 0.02 0.20 -0.75 4.62 4.06 2x9mC1 PHE 496 HB2 -0.00 0.16 -0.18 -0.04 3.15 3.09 2x9mC1 PHE 496 HB3 -0.01 -0.02 0.08 -0.04 3.06 3.06 2x9mC1 PHE 496 HD2 -0.03 0.04 -0.21 -0.04 7.28 7.04 2x9mC1 PHE 496 HE2 -0.06 0.00 -0.21 -0.04 7.38 7.07 2x9mC1 PHE 496 HZ -0.08 0.03 -0.10 -0.04 7.32 7.13 2x9mC1 ASN 497 H 0.04 0.29 -0.54 -0.55 8.53 7.78 2x9mC1 ASN 497 HA 0.12 -0.02 0.61 -0.75 4.76 4.71 2x9mC1 ASN 497 HB2 0.08 0.05 -0.02 -0.04 2.88 2.95 2x9mC1 ASN 497 HB3 0.10 0.12 0.06 -0.04 2.79 3.03 2x9mC1 ASN 497 HD21 0.20 0.25 0.05 -0.04 7.03 7.49 2x9mC1 ASN 497 HD22 0.24 0.09 0.03 -0.04 7.74 8.06 2x9mC1 VAL 498 H 0.14 -0.03 0.24 -0.55 8.24 8.05 2x9mC1 VAL 498 HA 0.31 0.22 0.78 -0.75 4.13 4.69 2x9mC1 VAL 498 HB 0.13 -0.04 0.01 -0.04 2.12 2.19 2x9mC1 VAL 498 HG13 0.21 -0.01 0.07 -0.04 0.97 1.20 2x9mC1 VAL 498 HG23 0.10 0.03 -0.23 -0.04 0.95 0.80 2x9mC1 CYS 499 H 0.14 -0.04 0.14 -0.55 8.50 8.19 2x9mC1 CYS 499 HA -0.06 0.19 0.65 -0.75 4.58 4.61 2x9mC1 CYS 499 HB2 0.04 -0.01 0.11 -0.04 2.97 3.07 2x9mC1 CYS 499 HB3 -0.04 0.05 -0.07 -0.04 2.97 2.88 2x9mC1 PRO 500 HA -1.81 0.02 0.40 -0.51 4.44 2.54 2x9mC1 PRO 500 HB2 -0.52 -0.06 -0.02 -0.04 2.28 1.64 2x9mC1 PRO 500 HB3 -1.13 -0.03 -0.06 -0.04 2.02 0.75 2x9mC1 PRO 500 HG2 -0.52 -0.07 -0.33 -0.04 2.03 1.07 2x9mC1 PRO 500 HG3 -1.65 0.08 -0.01 -0.04 2.03 0.42 2x9mC1 PRO 500 HD2 -0.32 -0.04 0.18 -0.04 3.68 3.47 2x9mC1 PRO 500 HD3 -0.41 0.36 0.33 -0.04 3.65 3.89 2x9mC1 GLU 501 H -0.22 0.25 0.22 -0.55 8.60 8.31 2x9mC1 GLU 501 HA -0.06 0.06 0.69 -0.75 4.29 4.23 2x9mC1 GLU 501 HB2 0.12 0.04 -0.09 -0.04 2.09 2.12 2x9mC1 GLU 501 HB3 0.05 -0.06 -0.05 -0.04 1.99 1.90 2x9mC1 GLU 501 HG2 -0.01 0.08 -0.62 -0.04 2.34 1.75 2x9mC1 GLU 501 HG3 0.06 0.15 -0.05 -0.04 2.34 2.46 2x9mC1 VAL 502 H 0.03 0.13 0.07 -0.55 8.24 7.92 2x9mC1 VAL 502 HA 0.10 0.19 0.68 -0.75 4.13 4.35 2x9mC1 VAL 502 HB 0.04 -0.03 0.20 -0.04 2.12 2.29 2x9mC1 VAL 502 HG13 0.05 0.01 -0.17 -0.04 0.97 0.82 2x9mC1 VAL 502 HG23 0.02 -0.00 -0.01 -0.04 0.95 0.92 2x9mC1 CYS 503 H 0.19 0.41 0.17 -0.55 8.50 8.73 2x9mC1 CYS 503 HA 0.13 0.05 0.75 -0.75 4.58 4.75 2x9mC1 CYS 503 HB2 0.09 -0.05 -0.14 -0.04 2.97 2.83 2x9mC1 CYS 503 HB3 0.10 -0.03 -0.48 -0.04 2.97 2.52 2x9mC1 TRP 504 H 0.24 0.11 0.07 -0.55 7.97 7.84 2x9mC1 TRP 504 HA 0.04 0.46 0.95 -0.75 4.62 5.30 2x9mC1 TRP 504 HB2 0.04 0.10 0.11 -0.04 3.23 3.44 2x9mC1 TRP 504 HB3 0.02 -0.08 0.31 -0.04 3.23 3.44 2x9mC1 TRP 504 HD1 0.11 0.18 0.06 -0.04 7.22 7.53 2x9mC1 TRP 504 HE1 0.32 0.03 -0.06 -0.04 10.20 10.45 2x9mC1 TRP 504 HE3 0.02 0.00 0.09 -0.04 7.59 7.66 2x9mC1 TRP 504 HZ2 0.24 -0.02 -0.06 -0.04 7.44 7.56 2x9mC1 TRP 504 HZ3 0.03 -0.05 -0.01 -0.04 7.13 7.06 2x9mC1 TRP 504 HH2 0.09 -0.08 -0.06 -0.04 7.19 7.10 2x9mC1 GLU 505 H -0.13 0.61 -0.03 -0.55 8.60 8.51 2x9mC1 GLU 505 HA -0.53 0.06 0.55 -0.75 4.29 3.61 2x9mC1 GLU 505 HB2 -0.18 -0.03 0.00 -0.04 2.09 1.84 2x9mC1 GLU 505 HB3 -0.12 0.04 -0.14 -0.04 1.99 1.73 2x9mC1 GLU 505 HG2 -0.04 0.06 -0.22 -0.04 2.34 2.11 2x9mC1 GLU 505 HG3 -0.08 0.11 -0.17 -0.04 2.34 2.17 2x9mC1 GLY 506 H -0.39 0.12 0.14 -0.55 8.43 7.76 2x9mC1 GLY 506 HA2 -0.19 0.28 0.34 -0.51 4.01 3.93 2x9mC1 GLY 506 HA3 -0.26 0.30 0.73 -0.51 4.01 4.27 2x9mC1 THR 507 H -0.07 0.35 0.11 -0.55 8.28 8.13 2x9mC1 THR 507 HA -0.05 0.06 0.75 -0.75 4.39 4.40 2x9mC1 THR 507 HB 0.03 -0.05 -0.10 -0.04 4.32 4.17 2x9mC1 THR 507 HG23 -0.09 0.01 -0.27 -0.04 1.22 0.82 2x9mC1 TYR 508 H 0.31 0.09 0.09 -0.55 8.29 8.23 2x9mC1 TYR 508 HA 0.23 0.06 0.58 -0.75 4.56 4.68 2x9mC1 TYR 508 HB2 0.12 0.03 0.10 -0.04 3.06 3.28 2x9mC1 TYR 508 HB3 0.10 -0.08 0.20 -0.04 2.98 3.17 2x9mC1 TYR 508 HD2 0.05 0.01 -0.10 -0.04 7.15 7.07 2x9mC1 TYR 508 HE2 0.08 0.02 -0.15 -0.04 6.85 6.76 2x9mC1 ASN 509 H -0.02 0.18 0.13 -0.55 8.53 8.26 2x9mC1 ASN 509 HA -0.08 0.14 0.95 -0.75 4.76 5.00 2x9mC1 ASN 509 HB2 -0.02 0.01 0.22 -0.04 2.88 3.06 2x9mC1 ASN 509 HB3 -0.04 0.24 0.28 -0.04 2.79 3.23 2x9mC1 ASN 509 HD21 0.05 0.24 -0.10 -0.04 7.03 7.18 2x9mC1 ASN 509 HD22 0.03 -0.04 0.13 -0.04 7.74 7.82 2x9mC1 ASP 510 H -0.59 0.30 0.18 -0.55 8.40 7.73 2x9mC1 ASP 510 HA -2.13 0.08 0.23 -0.75 4.63 2.05 2x9mC1 ASP 510 HB2 -0.67 0.01 0.20 -0.04 2.71 2.20 2x9mC1 ASP 510 HB3 -1.02 -0.02 0.13 -0.04 2.70 1.75 2x9mC1 ALA 511 H -0.35 0.24 0.22 -0.55 8.40 7.96 2x9mC1 ALA 511 HA -0.04 0.17 0.62 -0.75 4.34 4.35 2x9mC1 ALA 511 HB3 0.17 0.00 -0.21 -0.04 1.41 1.33 2x9mC1 PHE 512 H 0.06 0.75 0.25 -0.55 8.34 8.86 2x9mC1 PHE 512 HA -0.10 0.15 0.92 -0.75 4.62 4.84 2x9mC1 PHE 512 HB2 -0.16 0.10 -0.13 -0.04 3.15 2.91 2x9mC1 PHE 512 HB3 -0.07 -0.04 0.04 -0.04 3.06 2.95 2x9mC1 PHE 512 HD2 -0.26 0.13 -0.13 -0.04 7.28 6.97 2x9mC1 PHE 512 HE2 -0.04 -0.01 0.09 -0.04 7.38 7.39 2x9mC1 PHE 512 HZ 0.17 0.08 0.17 -0.04 7.32 7.71 2x9mC1 LEU 513 H -0.09 0.18 0.08 -0.55 8.37 8.00 2x9mC1 LEU 513 HA -0.31 0.07 0.50 -0.75 4.35 3.86 2x9mC1 LEU 513 HB2 -0.60 0.02 0.01 -0.04 1.64 1.04 2x9mC1 LEU 513 HB3 -0.35 0.01 0.08 -0.04 1.64 1.34 2x9mC1 LEU 513 HG -0.50 -0.11 -0.39 -0.04 1.64 0.61 2x9mC1 LEU 513 HD13 -1.79 0.08 -0.22 -0.04 0.93 -1.05 2x9mC1 LEU 513 HD23 -0.65 0.01 -0.10 -0.04 0.89 0.11 2x9mC1 ILE 514 H -0.18 0.54 0.37 -0.55 8.25 8.43 2x9mC1 ILE 514 HA 0.04 0.18 0.90 -0.75 4.18 4.55 2x9mC1 ILE 514 HB -0.01 -0.03 0.05 -0.04 1.89 1.86 2x9mC1 ILE 514 HG12 -0.09 -0.00 -0.21 -0.04 1.49 1.14 2x9mC1 ILE 514 HG13 -0.08 0.00 -0.27 -0.04 1.21 0.82 2x9mC1 ILE 514 HG23 0.09 0.05 -0.20 -0.04 0.93 0.82 2x9mC1 ILE 514 HD13 -0.01 0.00 -0.17 -0.04 0.88 0.66 2x9mC1 ASP 515 H -0.27 0.28 0.01 -0.55 8.40 7.88 2x9mC1 ASP 515 HA -0.11 0.07 0.51 -0.75 4.63 4.34 2x9mC1 ASP 515 HB2 -0.06 0.24 -0.16 -0.04 2.71 2.69 2x9mC1 ASP 515 HB3 -0.09 -0.06 0.02 -0.04 2.70 2.54 2x9mC1 ARG 516 H -0.17 0.22 0.09 -0.55 8.46 8.05 2x9mC1 ARG 516 HA -0.63 0.12 0.46 -0.75 4.34 3.53 2x9mC1 ARG 516 HB2 -0.27 0.07 0.06 -0.04 1.90 1.72 2x9mC1 ARG 516 HB3 -0.10 0.01 0.10 -0.04 1.80 1.77 2x9mC1 ARG 516 HG2 0.06 0.01 -0.17 -0.04 1.67 1.53 2x9mC1 ARG 516 HG3 0.05 -0.01 0.08 -0.04 1.67 1.76 2x9mC1 ARG 516 HD2 0.00 0.03 0.01 -0.04 3.22 3.22 2x9mC1 ARG 516 HD3 0.12 0.01 0.00 -0.04 3.22 3.31 2x9mC1 LEU 517 H -0.04 0.07 -0.02 -0.55 8.37 7.83 2x9mC1 LEU 517 HA 0.04 0.11 0.43 -0.75 4.35 4.18 2x9mC1 LEU 517 HB2 0.00 -0.01 0.12 -0.04 1.64 1.72 2x9mC1 LEU 517 HB3 0.00 -0.02 0.04 -0.04 1.64 1.62 2x9mC1 LEU 517 HG 0.03 0.04 -0.07 -0.04 1.64 1.60 2x9mC1 LEU 517 HD13 0.02 0.01 0.05 -0.04 0.93 0.96 2x9mC1 LEU 517 HD23 0.01 0.00 -0.02 -0.04 0.89 0.84 2x9mC1 ASN 518 H 0.00 0.02 -0.30 -0.55 8.53 7.71 2x9mC1 ASN 518 HA 0.08 0.21 0.76 -0.75 4.76 5.06 2x9mC1 ASN 518 HB2 0.02 -0.01 -0.05 -0.04 2.88 2.79 2x9mC1 ASN 518 HB3 0.04 0.03 0.08 -0.04 2.79 2.91 2x9mC1 ASN 518 HD21 0.01 0.02 -0.06 -0.04 7.03 6.96 2x9mC1 ASN 518 HD22 0.01 0.00 -0.06 -0.04 7.74 7.65 2x9mC1 TRP 519 H 0.07 0.06 -0.48 -0.55 7.97 7.08 2x9mC1 TRP 519 HA -0.03 0.03 0.39 -0.75 4.62 4.27 2x9mC1 TRP 519 HB2 -0.00 0.02 -0.11 -0.04 3.23 3.10 2x9mC1 TRP 519 HB3 -0.00 -0.06 0.24 -0.04 3.23 3.36 2x9mC1 TRP 519 HD1 -0.01 0.17 0.09 -0.04 7.22 7.43 2x9mC1 TRP 519 HE1 -0.03 -0.01 0.04 -0.04 10.20 10.16 2x9mC1 TRP 519 HE3 -0.01 0.01 -0.17 -0.04 7.59 7.38 2x9mC1 TRP 519 HZ2 -0.04 -0.05 -0.02 -0.04 7.44 7.29 2x9mC1 TRP 519 HZ3 0.04 0.01 -0.19 -0.04 7.13 6.96 2x9mC1 TRP 519 HH2 0.03 -0.02 -0.14 -0.04 7.19 7.01 2x9mC1 VAL 520 H -0.12 0.33 0.03 -0.55 8.24 7.92 2x9mC1 VAL 520 HA -0.07 0.33 0.87 -0.75 4.13 4.50 2x9mC1 VAL 520 HB -0.09 -0.11 -0.02 -0.04 2.12 1.86 2x9mC1 VAL 520 HG13 -0.16 0.00 -0.22 -0.04 0.97 0.56 2x9mC1 VAL 520 HG23 -0.02 0.01 -0.20 -0.04 0.95 0.70 2x9mC1 SER 521 H -0.51 0.61 0.29 -0.55 8.46 8.30 2x9mC1 SER 521 HA -0.26 0.06 0.90 -0.75 4.49 4.44 2x9mC1 SER 521 HB2 -1.00 0.07 -0.12 -0.04 3.95 2.87 2x9mC1 SER 521 HB3 -0.22 -0.07 -0.26 -0.04 3.93 3.33 2x9mC1 ALA 522 H -0.14 0.37 0.17 -0.55 8.40 8.26 2x9mC1 ALA 522 HA -0.26 0.35 1.01 -0.75 4.34 4.68 2x9mC1 ALA 522 HB3 -0.05 0.00 -0.05 -0.04 1.41 1.27 2x9mC1 GLY 523 H -0.39 0.66 0.37 -0.55 8.43 8.53 2x9mC1 GLY 523 HA2 -0.14 0.01 0.48 -0.51 4.01 3.85 2x9mC1 GLY 523 HA3 -0.04 0.20 0.40 -0.51 4.01 4.06 2x9mC1 VAL 524 H -0.06 0.27 0.08 -0.55 8.24 7.98 2x9mC1 VAL 524 HA -0.11 0.25 1.00 -0.75 4.13 4.52 2x9mC1 VAL 524 HB -0.00 -0.01 -0.00 -0.04 2.12 2.07 2x9mC1 VAL 524 HG13 -0.07 -0.01 -0.37 -0.04 0.97 0.49 2x9mC1 VAL 524 HG23 0.12 -0.02 -0.22 -0.04 0.95 0.78 2x9mC1 TYR 525 H -0.17 0.57 0.32 -0.55 8.29 8.46 2x9mC1 TYR 525 HA -0.08 0.23 0.96 -0.75 4.56 4.92 2x9mC1 TYR 525 HB2 -0.12 0.09 0.05 -0.04 3.06 3.03 2x9mC1 TYR 525 HB3 -0.15 -0.00 -0.10 -0.04 2.98 2.69 2x9mC1 TYR 525 HD2 -0.10 0.07 -0.31 -0.04 7.15 6.78 2x9mC1 TYR 525 HE2 -0.03 -0.05 -0.14 -0.04 6.85 6.59 2x9mC1 LEU 526 H 0.04 0.20 0.13 -0.55 8.37 8.20 2x9mC1 LEU 526 HA -0.10 0.15 0.65 -0.75 4.35 4.29 2x9mC1 LEU 526 HB2 -0.01 -0.05 0.23 -0.04 1.64 1.78 2x9mC1 LEU 526 HB3 -0.02 0.20 0.07 -0.04 1.64 1.86 2x9mC1 LEU 526 HG -0.00 -0.02 -0.03 -0.04 1.64 1.55 2x9mC1 LEU 526 HD13 0.00 -0.02 -0.06 -0.04 0.93 0.81 2x9mC1 LEU 526 HD23 -0.02 -0.01 -0.41 -0.04 0.89 0.41 2x9mC1 ASN 527 H -0.12 0.69 0.26 -0.55 8.53 8.81 2x9mC1 ASN 527 HA 0.22 0.03 0.50 -0.75 4.76 4.75 2x9mC1 ASN 527 HB2 -0.09 0.02 0.09 -0.04 2.88 2.86 2x9mC1 ASN 527 HB3 -0.02 0.03 0.25 -0.04 2.79 3.00 2x9mC1 ASN 527 HD21 0.09 -0.05 -0.02 -0.04 7.03 7.01 2x9mC1 ASN 527 HD22 0.04 0.01 0.01 -0.04 7.74 7.77 2x9mC1 SER 528 H 0.03 0.56 0.11 -0.55 8.46 8.62 2x9mC1 SER 528 HA 0.03 0.00 0.56 -0.75 4.49 4.33 2x9mC1 SER 528 HB2 0.00 0.13 -0.23 -0.04 3.95 3.82 2x9mC1 SER 528 HB3 -0.01 0.17 -0.05 -0.04 3.93 4.01 2x9mC1 ASN 529 H 0.02 0.10 0.14 -0.55 8.53 8.24 2x9mC1 ASN 529 HA -0.02 0.15 0.45 -0.75 4.76 4.59 2x9mC1 ASN 529 HB2 0.03 -0.05 0.13 -0.04 2.88 2.96 2x9mC1 ASN 529 HB3 0.04 0.05 -0.03 -0.04 2.79 2.80 2x9mC1 ASN 529 HD21 0.11 0.03 -0.04 -0.04 7.03 7.09 2x9mC1 ASN 529 HD22 0.07 -0.01 -0.02 -0.04 7.74 7.73 2x9mC1 GLN 530 H -0.00 -0.01 0.06 -0.55 8.47 7.97 2x9mC1 GLN 530 HA -0.03 0.25 0.72 -0.75 4.36 4.55 2x9mC1 GLN 530 HB2 -0.00 -0.05 -0.05 -0.04 2.15 2.01 2x9mC1 GLN 530 HB3 -0.01 -0.03 0.02 -0.04 2.02 1.96 2x9mC1 GLN 530 HG2 -0.00 0.12 -0.35 -0.04 2.40 2.13 2x9mC1 GLN 530 HG3 0.01 -0.09 -0.50 -0.04 2.39 1.76 2x9mC1 GLN 530 HE21 0.02 -0.00 -0.06 -0.04 6.97 6.88 2x9mC1 GLN 530 HE22 0.02 0.03 -0.12 -0.04 7.69 7.59 2x9mC1 THR 531 H -0.02 0.05 -0.05 -0.55 8.28 7.71 2x9mC1 THR 531 HA -0.03 0.24 0.79 -0.75 4.39 4.63 2x9mC1 THR 531 HB -0.02 0.02 -0.05 -0.04 4.32 4.23 2x9mC1 THR 531 HG23 -0.01 -0.01 -0.20 -0.04 1.22 0.95 2x9mC1 ALA 532 H -0.04 0.12 0.03 -0.55 8.40 7.96 2x9mC1 ALA 532 HA -0.02 0.17 0.62 -0.75 4.34 4.35 2x9mC1 ALA 532 HB3 -0.03 0.10 0.16 -0.04 1.41 1.60 2x9mC1 GLU 533 H -0.01 0.41 0.15 -0.55 8.60 8.60 2x9mC1 GLU 533 HA 0.01 0.13 0.79 -0.75 4.29 4.47 2x9mC1 GLU 533 HB2 -0.00 -0.01 -0.21 -0.04 2.09 1.83 2x9mC1 GLU 533 HB3 -0.00 0.11 -0.12 -0.04 1.99 1.93 2x9mC1 GLU 533 HG2 0.01 0.01 -0.37 -0.04 2.34 1.94 2x9mC1 GLU 533 HG3 -0.00 -0.13 -0.63 -0.04 2.34 1.53 2x9mC1 ASN 534 H -0.01 0.60 0.14 -0.55 8.53 8.72 2x9mC1 ASN 534 HA -0.03 0.05 0.31 -0.75 4.76 4.33 2x9mC1 ASN 534 HB2 -0.01 0.03 -0.23 -0.04 2.88 2.63 2x9mC1 ASN 534 HB3 -0.03 0.02 -0.14 -0.04 2.79 2.60 2x9mC1 ASN 534 HD21 -0.00 -0.13 0.11 -0.04 7.03 6.96 2x9mC1 ASN 534 HD22 -0.00 0.06 0.13 -0.04 7.74 7.88 2x9mC1 PRO 535 HA -0.16 0.24 0.38 -0.51 4.44 4.39 2x9mC1 PRO 535 HB2 -0.11 -0.01 -0.16 -0.04 2.28 1.97 2x9mC1 PRO 535 HB3 -0.05 0.10 -0.13 -0.04 2.02 1.90 2x9mC1 PRO 535 HG2 -0.07 -0.16 0.05 -0.04 2.03 1.82 2x9mC1 PRO 535 HG3 -0.01 0.09 -0.08 -0.04 2.03 1.99 2x9mC1 PRO 535 HD2 -0.04 0.03 0.13 -0.04 3.68 3.76 2x9mC1 PRO 535 HD3 -0.02 0.16 0.04 -0.04 3.65 3.79 2x9mC1 VAL 536 H -0.38 0.63 0.32 -0.55 8.24 8.26 2x9mC1 VAL 536 HA -0.17 0.07 1.03 -0.75 4.13 4.30 2x9mC1 VAL 536 HB -1.13 0.07 0.15 -0.04 2.12 1.18 2x9mC1 VAL 536 HG13 -0.10 -0.03 -0.36 -0.04 0.97 0.44 2x9mC1 VAL 536 HG23 -0.20 0.01 -0.19 -0.04 0.95 0.53 2x9mC1 PHE 537 H 0.02 0.42 0.23 -0.55 8.34 8.46 2x9mC1 PHE 537 HA -0.05 0.12 0.79 -0.75 4.62 4.72 2x9mC1 PHE 537 HB2 -0.16 -0.04 -0.00 -0.04 3.15 2.91 2x9mC1 PHE 537 HB3 -0.08 0.02 0.09 -0.04 3.06 3.05 2x9mC1 PHE 537 HD2 -0.02 -0.04 -0.31 -0.04 7.28 6.87 2x9mC1 PHE 537 HE2 -0.00 -0.02 -0.27 -0.04 7.38 7.05 2x9mC1 PHE 537 HZ -0.03 -0.02 -0.21 -0.04 7.32 7.01 2x9mC1 ALA 538 H -0.46 0.74 0.43 -0.55 8.40 8.56 2x9mC1 ALA 538 HA 0.08 0.18 1.09 -0.75 4.34 4.93 2x9mC1 ALA 538 HB3 0.24 -0.00 -0.10 -0.04 1.41 1.51 2x9mC1 VAL 539 H -0.05 0.60 0.36 -0.55 8.24 8.60 2x9mC1 VAL 539 HA -0.19 0.31 1.04 -0.75 4.13 4.54 2x9mC1 VAL 539 HB -0.76 -0.04 0.21 -0.04 2.12 1.49 2x9mC1 VAL 539 HG13 -0.24 0.01 -0.09 -0.04 0.97 0.60 2x9mC1 VAL 539 HG23 0.13 -0.01 -0.13 -0.04 0.95 0.89 2x9mC1 PHE 540 H -0.52 0.55 0.30 -0.55 8.34 8.12 2x9mC1 PHE 540 HA -0.10 -0.04 1.19 -0.75 4.62 4.92 2x9mC1 PHE 540 HB2 -0.05 0.25 -0.01 -0.04 3.15 3.31 2x9mC1 PHE 540 HB3 -0.08 -0.08 -0.25 -0.04 3.06 2.61 2x9mC1 PHE 540 HD2 -0.04 0.08 -0.38 -0.04 7.28 6.91 2x9mC1 PHE 540 HE2 0.00 0.00 -0.22 -0.04 7.38 7.12 2x9mC1 PHE 540 HZ 0.02 0.00 -0.23 -0.04 7.32 7.07 2x9mC1 LYS 541 H 0.10 0.36 0.30 -0.55 8.42 8.62 2x9mC1 LYS 541 HA 0.11 0.37 0.92 -0.75 4.32 4.97 2x9mC1 LYS 541 HB2 0.07 -0.04 0.11 -0.04 1.87 1.97 2x9mC1 LYS 541 HB3 0.09 -0.11 0.21 -0.04 1.79 1.93 2x9mC1 LYS 541 HG2 0.06 0.25 0.01 -0.04 1.46 1.74 2x9mC1 LYS 541 HG3 0.02 -0.07 -0.04 -0.04 1.46 1.32 2x9mC1 LYS 541 HD2 0.04 0.02 -0.00 -0.04 1.69 1.71 2x9mC1 LYS 541 HD3 0.04 -0.06 -0.00 -0.04 1.68 1.61 2x9mC1 LYS 541 HE2 0.05 -0.06 0.02 -0.04 2.99 2.95 2x9mC1 LYS 541 HE3 0.07 -0.02 0.07 -0.04 2.99 3.07 2x9mC1 ASP 542 H 0.12 0.23 0.17 -0.55 8.40 8.38 2x9mC1 ASP 542 HA 0.15 0.06 0.34 -0.75 4.63 4.43 2x9mC1 ASP 542 HB2 0.03 -0.03 0.12 -0.04 2.71 2.79 2x9mC1 ASP 542 HB3 0.02 0.18 -0.07 -0.04 2.70 2.79 2x9mC1 ASN 543 H 0.06 0.07 -0.23 -0.55 8.53 7.88 2x9mC1 ASN 543 HA 0.01 0.14 0.78 -0.75 4.76 4.94 2x9mC1 ASN 543 HB2 0.02 -0.01 0.04 -0.04 2.88 2.88 2x9mC1 ASN 543 HB3 0.01 0.03 0.14 -0.04 2.79 2.93 2x9mC1 ASN 543 HD21 0.00 0.05 -0.02 -0.04 7.03 7.03 2x9mC1 ASN 543 HD22 0.01 -0.02 -0.01 -0.04 7.74 7.68 2x9mC1 GLU 544 H 0.06 0.42 -0.34 -0.55 8.60 8.20 2x9mC1 GLU 544 HA 0.01 0.12 0.67 -0.75 4.29 4.34 2x9mC1 GLU 544 HB2 0.03 0.05 -0.56 -0.04 2.09 1.56 2x9mC1 GLU 544 HB3 0.04 -0.11 -0.11 -0.04 1.99 1.77 2x9mC1 GLU 544 HG2 0.02 0.06 -0.33 -0.04 2.34 2.05 2x9mC1 GLU 544 HG3 0.02 0.06 0.01 -0.04 2.34 2.38 2x9mC1 ILE 545 H 0.01 0.21 0.08 -0.55 8.25 7.99 2x9mC1 ILE 545 HA 0.07 0.11 0.88 -0.75 4.18 4.50 2x9mC1 ILE 545 HB 0.01 -0.01 0.06 -0.04 1.89 1.92 2x9mC1 ILE 545 HG12 -0.11 0.03 -0.15 -0.04 1.49 1.22 2x9mC1 ILE 545 HG13 -0.07 -0.09 -0.14 -0.04 1.21 0.87 2x9mC1 ILE 545 HG23 0.06 0.00 -0.25 -0.04 0.93 0.70 2x9mC1 ILE 545 HD13 -0.16 0.03 -0.09 -0.04 0.88 0.62 2x9mC1 LEU 546 H -0.09 0.48 0.32 -0.55 8.37 8.53 2x9mC1 LEU 546 HA 0.02 -0.05 0.39 -0.75 4.35 3.95 2x9mC1 LEU 546 HB2 -0.61 0.06 0.12 -0.04 1.64 1.17 2x9mC1 LEU 546 HB3 -0.01 0.12 -0.20 -0.04 1.64 1.51 2x9mC1 LEU 546 HG -0.07 -0.09 -0.03 -0.04 1.64 1.40 2x9mC1 LEU 546 HD13 -0.07 -0.00 -0.16 -0.04 0.93 0.66 2x9mC1 LEU 546 HD23 0.03 -0.01 -0.26 -0.04 0.89 0.60 2x9mC1 TYR 547 H -0.49 0.32 0.27 -0.55 8.29 7.84 2x9mC1 TYR 547 HA 0.05 0.27 0.77 -0.75 4.56 4.90 2x9mC1 TYR 547 HB2 0.04 -0.00 0.06 -0.04 3.06 3.11 2x9mC1 TYR 547 HB3 0.03 0.12 0.15 -0.04 2.98 3.23 2x9mC1 TYR 547 HD2 0.04 0.07 -0.20 -0.04 7.15 7.02 2x9mC1 TYR 547 HE2 0.01 0.01 -0.15 -0.04 6.85 6.68 2x9mC1 GLN 548 H 0.17 0.34 0.26 -0.55 8.47 8.70 2x9mC1 GLN 548 HA 0.19 0.18 0.77 -0.75 4.36 4.73 2x9mC1 GLN 548 HB2 0.13 0.07 0.00 -0.04 2.15 2.31 2x9mC1 GLN 548 HB3 0.13 -0.04 -0.19 -0.04 2.02 1.88 2x9mC1 GLN 548 HG2 0.10 -0.04 -0.11 -0.04 2.40 2.31 2x9mC1 GLN 548 HG3 0.09 0.02 -0.27 -0.04 2.39 2.19 2x9mC1 GLN 548 HE21 0.12 -0.01 -0.09 -0.04 6.97 6.95 2x9mC1 GLN 548 HE22 0.08 -0.00 -0.09 -0.04 7.69 7.64 2x9mC1 VAL 549 H 0.11 0.60 0.26 -0.55 8.24 8.67 2x9mC1 VAL 549 HA 0.04 0.12 0.64 -0.75 4.13 4.17 2x9mC1 VAL 549 HB 0.04 0.04 -0.07 -0.04 2.12 2.10 2x9mC1 VAL 549 HG13 0.04 -0.03 -0.11 -0.04 0.97 0.83 2x9mC1 VAL 549 HG23 -0.01 0.08 0.01 -0.04 0.95 0.99 2x9mC1 PRO 550 HA -0.08 0.08 0.78 -0.51 4.44 4.71 2x9mC1 PRO 550 HB2 -0.03 0.11 0.00 -0.04 2.28 2.33 2x9mC1 PRO 550 HB3 -0.04 0.07 0.04 -0.04 2.02 2.05 2x9mC1 PRO 550 HG2 -0.01 -0.01 0.06 -0.04 2.03 2.03 2x9mC1 PRO 550 HG3 -0.02 0.02 0.02 -0.04 2.03 2.01 2x9mC1 PRO 550 HD2 -0.00 0.11 0.22 -0.04 3.68 3.97 2x9mC1 PRO 550 HD3 0.01 0.10 0.13 -0.04 3.65 3.85 2x9mC1 LEU 551 H -0.13 0.52 0.33 -0.55 8.37 8.54 2x9mC1 LEU 551 HA -0.19 0.14 0.71 -0.75 4.35 4.25 2x9mC1 LEU 551 HB2 -0.24 0.02 0.01 -0.04 1.64 1.38 2x9mC1 LEU 551 HB3 -0.67 -0.03 -0.07 -0.04 1.64 0.83 2x9mC1 LEU 551 HG -0.21 -0.08 -0.09 -0.04 1.64 1.22 2x9mC1 LEU 551 HD13 -0.44 -0.01 -0.19 -0.04 0.93 0.25 2x9mC1 LEU 551 HD23 -0.63 0.02 -0.12 -0.04 0.89 0.11 2x9mC1 ALA 552 H -0.06 0.16 0.08 -0.55 8.40 8.03 2x9mC1 ALA 552 HA 0.03 0.18 0.73 -0.75 4.34 4.53 2x9mC1 ALA 552 HB3 0.02 -0.03 0.08 -0.04 1.41 1.44 2x9mC1 GLU 553 H 0.01 0.01 0.07 -0.55 8.60 8.14 2x9mC1 GLU 553 HA 0.00 0.25 0.64 -0.75 4.29 4.43 2x9mC1 GLU 553 HB2 0.01 -0.09 0.07 -0.04 2.09 2.04 2x9mC1 GLU 553 HB3 0.01 -0.09 0.20 -0.04 1.99 2.07 2x9mC1 GLU 553 HG2 0.02 -0.01 0.02 -0.04 2.34 2.32 2x9mC1 GLU 553 HG3 0.01 0.02 0.02 -0.04 2.34 2.35 2x9mC1 ASP 554 H 0.00 0.08 0.15 -0.55 8.40 8.09 2x9mC1 ASP 554 HA -0.01 0.27 0.82 -0.75 4.63 4.96 2x9mC1 ASP 554 HB2 0.00 -0.07 0.14 -0.04 2.71 2.74 2x9mC1 ASP 554 HB3 0.00 0.04 0.01 -0.04 2.70 2.72 2x9mC1 ASP 555 H 0.01 0.02 0.03 -0.55 8.40 7.91 2x9mC1 ASP 555 HA 0.01 0.26 0.68 -0.75 4.63 4.82 2x9mC1 ASP 555 HB2 0.01 0.03 0.16 -0.04 2.71 2.87 2x9mC1 ASP 555 HB3 0.01 0.02 0.03 -0.04 2.70 2.71 2x9mC1 THR 556 H 0.01 0.21 -0.57 -0.55 8.28 7.38 2x9mC1 THR 556 HA 0.03 0.12 0.76 -0.75 4.39 4.54 2x9mC1 THR 556 HB 0.01 0.06 0.04 -0.04 4.32 4.40 2x9mC1 THR 556 HG23 0.04 0.07 -0.12 -0.04 1.22 1.17 2x9mC1 ASN 557 H 0.05 0.13 0.16 -0.55 8.53 8.33 2x9mC1 ASN 557 HA 0.04 0.24 0.57 -0.75 4.76 4.85 2x9mC1 ASN 557 HB2 0.11 0.04 0.16 -0.04 2.88 3.15 2x9mC1 ASN 557 HB3 0.07 0.01 0.03 -0.04 2.79 2.87 2x9mC1 ASN 557 HD21 -0.01 -0.03 0.01 -0.04 7.03 6.96 2x9mC1 ASN 557 HD22 -0.01 -0.02 0.02 -0.04 7.74 7.69 2x9mC1 ALA 558 H 0.06 0.71 0.13 -0.55 8.40 8.75 2x9mC1 ALA 558 HA 0.21 -0.01 0.43 -0.75 4.34 4.22 2x9mC1 ALA 558 HB3 0.05 0.03 -0.21 -0.04 1.41 1.24 2x9mC1 GLN 559 H 0.21 0.16 -0.06 -0.55 8.47 8.22 2x9mC1 GLN 559 HA 0.05 0.20 0.82 -0.75 4.36 4.68 2x9mC1 GLN 559 HB2 0.21 -0.05 0.10 -0.04 2.15 2.36 2x9mC1 GLN 559 HB3 0.09 -0.09 0.25 -0.04 2.02 2.23 2x9mC1 GLN 559 HG2 -0.03 -0.02 0.02 -0.04 2.40 2.33 2x9mC1 GLN 559 HG3 -0.02 0.09 0.04 -0.04 2.39 2.45 2x9mC1 GLN 559 HE21 -0.11 -0.04 -0.05 -0.04 6.97 6.73 2x9mC1 GLN 559 HE22 -0.08 0.04 -0.02 -0.04 7.69 7.59 2x9mC1 LYS 560 H 0.12 0.00 0.18 -0.55 8.42 8.16 2x9mC1 LYS 560 HA 0.16 0.30 0.30 -0.75 4.32 4.33 2x9mC1 LYS 560 HB2 0.10 -0.10 0.16 -0.04 1.87 1.99 2x9mC1 LYS 560 HB3 0.14 0.08 0.02 -0.04 1.79 1.99 2x9mC1 LYS 560 HG2 0.15 0.03 0.12 -0.04 1.46 1.71 2x9mC1 LYS 560 HG3 0.10 -0.09 0.13 -0.04 1.46 1.57 2x9mC1 LYS 560 HD2 0.06 -0.07 0.09 -0.04 1.69 1.73 2x9mC1 LYS 560 HD3 0.03 0.06 0.06 -0.04 1.68 1.79 2x9mC1 LYS 560 HE2 0.07 -0.02 0.05 -0.04 2.99 3.05 2x9mC1 LYS 560 HE3 0.03 -0.02 0.04 -0.04 2.99 2.99 2x9mC1 THR 561 H 0.19 0.56 0.38 -0.55 8.28 8.87 2x9mC1 THR 561 HA 0.10 0.31 0.95 -0.75 4.39 5.00 2x9mC1 THR 561 HB 0.05 -0.07 -0.00 -0.04 4.32 4.25 2x9mC1 THR 561 HG23 0.04 0.02 -0.22 -0.04 1.22 1.02 2x9mC1 ILE 562 H 0.10 0.60 0.24 -0.55 8.25 8.64 2x9mC1 ILE 562 HA 0.15 0.11 0.97 -0.75 4.18 4.66 2x9mC1 ILE 562 HB 0.10 -0.07 0.12 -0.04 1.89 2.00 2x9mC1 ILE 562 HG12 0.27 0.05 -0.15 -0.04 1.49 1.62 2x9mC1 ILE 562 HG13 0.15 -0.07 -0.33 -0.04 1.21 0.92 2x9mC1 ILE 562 HG23 0.13 0.02 -0.04 -0.04 0.93 0.99 2x9mC1 ILE 562 HD13 0.01 0.01 -0.11 -0.04 0.88 0.75 2x9mC1 THR 563 H 0.02 0.20 0.09 -0.55 8.28 8.05 2x9mC1 THR 563 HA 0.07 0.34 1.15 -0.75 4.39 5.19 2x9mC1 THR 563 HB 0.02 0.01 0.02 -0.04 4.32 4.33 2x9mC1 THR 563 HG23 0.10 -0.01 -0.28 -0.04 1.22 0.99 2x9mC1 ASP 564 H 0.00 0.72 0.33 -0.55 8.40 8.91 2x9mC1 ASP 564 HA -0.46 0.12 0.75 -0.75 4.63 4.29 2x9mC1 ASP 564 HB2 0.01 -0.02 0.04 -0.04 2.71 2.70 2x9mC1 ASP 564 HB3 -0.08 0.03 0.02 -0.04 2.70 2.62 2x9mC1 CYS 565 H -2.14 0.21 0.19 -0.55 8.50 6.21 2x9mC1 CYS 565 HA -0.25 0.26 1.19 -0.75 4.58 5.03 2x9mC1 CYS 565 HB2 -0.35 0.00 -0.03 -0.04 2.97 2.55 2x9mC1 CYS 565 HB3 -0.17 0.04 -0.00 -0.04 2.97 2.80 2x9mC1 PHE 566 H -0.42 0.78 0.45 -0.55 8.34 8.60 2x9mC1 PHE 566 HA 0.01 0.05 0.77 -0.75 4.62 4.70 2x9mC1 PHE 566 HB2 0.00 -0.01 0.07 -0.04 3.15 3.17 2x9mC1 PHE 566 HB3 -0.05 0.08 -0.26 -0.04 3.06 2.80 2x9mC1 PHE 566 HD2 -0.05 0.09 -0.41 -0.04 7.28 6.87 2x9mC1 PHE 566 HE2 -0.10 -0.01 -0.21 -0.04 7.38 7.02 2x9mC1 PHE 566 HZ -0.12 0.00 -0.21 -0.04 7.32 6.96 2x9mC1 LEU 567 H 0.21 0.11 0.19 -0.55 8.37 8.34 2x9mC1 LEU 567 HA 0.10 0.27 0.81 -0.75 4.35 4.77 2x9mC1 LEU 567 HB2 0.11 -0.00 0.08 -0.04 1.64 1.79 2x9mC1 LEU 567 HB3 0.09 -0.11 -0.07 -0.04 1.64 1.51 2x9mC1 LEU 567 HG 0.08 -0.03 -0.04 -0.04 1.64 1.60 2x9mC1 LEU 567 HD13 0.05 0.00 -0.02 -0.04 0.93 0.93 2x9mC1 LEU 567 HD23 0.04 0.01 -0.24 -0.04 0.89 0.66 2x9mC1 LEU 568 H 0.19 0.31 0.22 -0.55 8.37 8.54 2x9mC1 LEU 568 HA 0.12 0.25 0.97 -0.75 4.35 4.93 2x9mC1 LEU 568 HB2 0.09 0.07 -0.12 -0.04 1.64 1.64 2x9mC1 LEU 568 HB3 0.14 -0.08 0.12 -0.04 1.64 1.77 2x9mC1 LEU 568 HG 0.00 -0.01 -0.11 -0.04 1.64 1.48 2x9mC1 LEU 568 HD13 -0.03 0.01 -0.18 -0.04 0.93 0.69 2x9mC1 LEU 568 HD23 -0.14 -0.01 -0.23 -0.04 0.89 0.47 2x9mC1 GLU 569 H 0.15 0.15 0.14 -0.55 8.60 8.49 2x9mC1 GLU 569 HA 0.05 0.27 0.88 -0.75 4.29 4.73 2x9mC1 GLU 569 HB2 0.06 -0.01 0.05 -0.04 2.09 2.15 2x9mC1 GLU 569 HB3 0.08 0.02 0.16 -0.04 1.99 2.21 2x9mC1 GLU 569 HG2 0.04 0.01 0.08 -0.04 2.34 2.43 2x9mC1 GLU 569 HG3 0.04 0.02 0.14 -0.04 2.34 2.50 2x9mC1 ASN 570 H 0.07 0.13 -0.37 -0.55 8.53 7.82 2x9mC1 ASN 570 HA 0.05 0.01 0.23 -0.75 4.76 4.30 2x9mC1 ASN 570 HB2 0.03 -0.03 -0.19 -0.04 2.88 2.65 2x9mC1 ASN 570 HB3 0.03 0.11 0.30 -0.04 2.79 3.18 2x9mC1 ASN 570 HD21 0.02 -0.00 0.01 -0.04 7.03 7.02 2x9mC1 ASN 570 HD22 0.03 -0.03 -0.02 -0.04 7.74 7.67 2x9mC1 VAL 571 H 0.12 -0.21 -0.22 -0.55 8.24 7.38 2x9mC1 VAL 571 HA -0.02 0.29 0.87 -0.75 4.13 4.53 2x9mC1 VAL 571 HB 0.25 -0.14 0.08 -0.04 2.12 2.26 2x9mC1 VAL 571 HG13 -0.28 0.07 -0.05 -0.04 0.97 0.67 2x9mC1 VAL 571 HG23 0.06 0.02 -0.06 -0.04 0.95 0.93 2x9mC1 ILE 572 H -0.09 0.28 0.11 -0.55 8.25 8.00 2x9mC1 ILE 572 HA -0.04 0.10 0.65 -0.75 4.18 4.14 2x9mC1 ILE 572 HB -0.11 0.03 0.14 -0.04 1.89 1.91 2x9mC1 ILE 572 HG12 -0.01 -0.07 -0.08 -0.04 1.49 1.29 2x9mC1 ILE 572 HG13 -0.03 0.04 -0.02 -0.04 1.21 1.15 2x9mC1 ILE 572 HG23 -0.08 -0.01 -0.17 -0.04 0.93 0.62 2x9mC1 ILE 572 HD13 -0.02 0.01 -0.03 -0.04 0.88 0.80 2x9mC1 TRP 573 H -0.21 0.87 0.49 -0.55 7.97 8.58 2x9mC1 TRP 573 HA -0.27 0.25 1.01 -0.75 4.62 4.86 2x9mC1 TRP 573 HB2 -0.98 -0.00 0.03 -0.04 3.23 2.23 2x9mC1 TRP 573 HB3 -0.54 0.01 -0.09 -0.04 3.23 2.57 2x9mC1 TRP 573 HD1 -0.14 0.06 -0.20 -0.04 7.22 6.90 2x9mC1 TRP 573 HE1 -0.05 -0.03 -0.02 -0.04 10.20 10.06 2x9mC1 TRP 573 HE3 -0.13 0.01 -0.22 -0.04 7.59 7.21 2x9mC1 TRP 573 HZ2 -0.04 0.12 0.09 -0.04 7.44 7.57 2x9mC1 TRP 573 HZ3 -0.06 0.06 -0.24 -0.04 7.13 6.84 2x9mC1 TRP 573 HH2 -0.04 0.01 -0.01 -0.04 7.19 7.11 2x9mC1 CYS 574 H -0.03 0.60 0.31 -0.55 8.50 8.82 2x9mC1 CYS 574 HA -0.12 0.21 1.02 -0.75 4.58 4.94 2x9mC1 CYS 574 HB2 0.06 -0.01 0.01 -0.04 2.97 2.99 2x9mC1 CYS 574 HB3 0.15 0.02 -0.17 -0.04 2.97 2.93 2x9mC1 ILE 575 H 0.10 0.77 0.35 -0.55 8.25 8.92 2x9mC1 ILE 575 HA 0.10 0.34 1.07 -0.75 4.18 4.94 2x9mC1 ILE 575 HB 0.12 -0.02 0.10 -0.04 1.89 2.05 2x9mC1 ILE 575 HG12 0.09 0.04 -0.10 -0.04 1.49 1.49 2x9mC1 ILE 575 HG13 0.35 -0.08 -0.27 -0.04 1.21 1.16 2x9mC1 ILE 575 HG23 -0.03 0.00 -0.23 -0.04 0.93 0.63 2x9mC1 ILE 575 HD13 0.05 -0.01 -0.18 -0.04 0.88 0.70 2x9mC1 SER 576 H 0.12 0.64 0.24 -0.55 8.46 8.91 2x9mC1 SER 576 HA 0.11 0.37 1.10 -0.75 4.49 5.31 2x9mC1 SER 576 HB2 0.20 -0.05 0.00 -0.04 3.95 4.06 2x9mC1 SER 576 HB3 0.16 0.02 -0.19 -0.04 3.93 3.89 2x9mC1 LEU 577 H 0.08 0.55 0.24 -0.55 8.37 8.69 2x9mC1 LEU 577 HA 0.05 0.16 0.80 -0.75 4.35 4.60 2x9mC1 LEU 577 HB2 0.04 0.00 -0.01 -0.04 1.64 1.63 2x9mC1 LEU 577 HB3 0.07 -0.04 0.12 -0.04 1.64 1.75 2x9mC1 LEU 577 HG 0.05 0.02 -0.22 -0.04 1.64 1.45 2x9mC1 LEU 577 HD13 0.11 -0.00 -0.18 -0.04 0.93 0.82 2x9mC1 LEU 577 HD23 0.06 -0.00 -0.46 -0.04 0.89 0.45 2x9mC1 VAL 578 H 0.13 0.71 0.26 -0.55 8.24 8.79 2x9mC1 VAL 578 HA 0.09 0.27 1.06 -0.75 4.13 4.79 2x9mC1 VAL 578 HB 0.26 -0.01 0.08 -0.04 2.12 2.40 2x9mC1 VAL 578 HG13 0.05 0.02 -0.26 -0.04 0.97 0.74 2x9mC1 VAL 578 HG23 0.09 0.00 -0.31 -0.04 0.95 0.69 2x9mC1 GLU 579 H 0.07 0.75 0.19 -0.55 8.60 9.07 2x9mC1 GLU 579 HA -0.05 0.02 0.60 -0.75 4.29 4.10 2x9mC1 GLU 579 HB2 0.13 0.02 0.12 -0.04 2.09 2.32 2x9mC1 GLU 579 HB3 0.21 -0.06 0.00 -0.04 1.99 2.10 2x9mC1 GLU 579 HG2 0.05 0.07 0.07 -0.04 2.34 2.48 2x9mC1 GLU 579 HG3 0.08 0.11 0.07 -0.04 2.34 2.55 2x9mC1 ILE 580 H -0.32 0.25 0.16 -0.55 8.25 7.79 2x9mC1 ILE 580 HA -0.00 0.24 0.81 -0.75 4.18 4.47 2x9mC1 ILE 580 HB -0.06 0.03 0.05 -0.04 1.89 1.86 2x9mC1 ILE 580 HG12 0.04 0.11 -0.08 -0.04 1.49 1.53 2x9mC1 ILE 580 HG13 0.05 0.05 -0.60 -0.04 1.21 0.67 2x9mC1 ILE 580 HG23 0.01 -0.03 -0.24 -0.04 0.93 0.63 2x9mC1 ILE 580 HD13 0.12 -0.03 -0.11 -0.04 0.88 0.82 2x9mC1 TYR 581 H 0.15 0.44 -0.06 -0.55 8.29 8.27 2x9mC1 TYR 581 HA 0.01 0.17 0.81 -0.75 4.56 4.80 2x9mC1 TYR 581 HB2 0.01 -0.02 0.06 -0.04 3.06 3.07 2x9mC1 TYR 581 HB3 0.01 0.01 0.02 -0.04 2.98 2.98 2x9mC1 TYR 581 HD2 0.01 0.04 -0.22 -0.04 7.15 6.94 2x9mC1 TYR 581 HE2 0.01 -0.04 -0.16 -0.04 6.85 6.62 2x9mC1 ASP 582 H 0.00 0.21 -0.05 -0.55 8.40 8.02 2x9mC1 ASP 582 HA 0.04 -0.00 0.51 -0.75 4.63 4.43 2x9mC1 ASP 582 HB2 0.00 0.02 0.05 -0.04 2.71 2.74 2x9mC1 ASP 582 HB3 0.02 0.10 -0.23 -0.04 2.70 2.54 2x9mC1 THR 583 H 0.03 0.10 0.17 -0.55 8.28 8.03 2x9mC1 THR 583 HA 0.03 0.05 0.57 -0.75 4.39 4.29 2x9mC1 THR 583 HB 0.03 0.04 0.14 -0.04 4.32 4.48 2x9mC1 THR 583 HG23 0.02 -0.00 0.11 -0.04 1.22 1.31 2x9mC1 GLY 584 H 0.02 0.09 0.17 -0.55 8.43 8.17 2x9mC1 GLY 584 HA2 0.01 -0.01 0.30 -0.51 4.01 3.80 2x9mC1 GLY 584 HA3 0.01 0.13 0.70 -0.51 4.01 4.34 2x9mC1 ASP 585 H 0.02 0.15 0.07 -0.55 8.40 8.10 2x9mC1 ASP 585 HA 0.00 0.13 0.77 -0.75 4.63 4.78 2x9mC1 ASP 585 HB2 0.02 0.12 0.03 -0.04 2.71 2.84 2x9mC1 ASP 585 HB3 0.00 0.05 -0.22 -0.04 2.70 2.49 2x9mC1 SER 586 H -0.00 0.18 0.09 -0.55 8.46 8.19 2x9mC1 SER 586 HA 0.01 0.08 0.48 -0.75 4.49 4.30 2x9mC1 SER 586 HB2 -0.00 -0.09 0.09 -0.04 3.95 3.91 2x9mC1 SER 586 HB3 -0.00 0.04 0.10 -0.04 3.93 4.04 2x9mC1 VAL 587 H -0.01 0.12 0.02 -0.55 8.24 7.83 2x9mC1 VAL 587 HA -0.01 0.29 0.97 -0.75 4.13 4.63 2x9mC1 VAL 587 HB -0.02 -0.03 0.15 -0.04 2.12 2.18 2x9mC1 VAL 587 HG13 -0.03 0.01 -0.19 -0.04 0.97 0.73 2x9mC1 VAL 587 HG23 -0.01 -0.02 -0.02 -0.04 0.95 0.85 2x9mC1 ILE 588 H 0.00 0.51 0.24 -0.55 8.25 8.45 2x9mC1 ILE 588 HA -0.04 0.11 0.85 -0.75 4.18 4.34 2x9mC1 ILE 588 HB 0.05 -0.02 0.29 -0.04 1.89 2.16 2x9mC1 ILE 588 HG12 0.17 -0.06 0.04 -0.04 1.49 1.60 2x9mC1 ILE 588 HG13 0.03 0.02 0.06 -0.04 1.21 1.28 2x9mC1 ILE 588 HG23 -0.04 0.03 -0.07 -0.04 0.93 0.80 2x9mC1 ILE 588 HD13 0.05 -0.03 -0.10 -0.04 0.88 0.75 2x9mC1 ARG 589 H -0.07 0.29 0.25 -0.55 8.46 8.37 2x9mC1 ARG 589 HA -0.07 0.20 0.77 -0.75 4.34 4.49 2x9mC1 ARG 589 HB2 0.01 0.04 0.11 -0.04 1.90 2.01 2x9mC1 ARG 589 HB3 -0.04 -0.07 -0.17 -0.04 1.80 1.48 2x9mC1 ARG 589 HG2 -0.02 -0.06 -0.04 -0.04 1.67 1.51 2x9mC1 ARG 589 HG3 -0.00 0.17 -0.17 -0.04 1.67 1.62 2x9mC1 ARG 589 HD2 0.00 -0.02 -0.04 -0.04 3.22 3.12 2x9mC1 ARG 589 HD3 0.07 0.04 -0.05 -0.04 3.22 3.24 2x9mC1 PRO 590 HA -0.07 0.03 0.63 -0.51 4.44 4.53 2x9mC1 PRO 590 HB2 0.06 0.00 -0.21 -0.04 2.28 2.09 2x9mC1 PRO 590 HB3 0.03 0.01 -0.23 -0.04 2.02 1.78 2x9mC1 PRO 590 HG2 0.09 0.03 -0.05 -0.04 2.03 2.06 2x9mC1 PRO 590 HG3 0.01 0.00 0.04 -0.04 2.03 2.04 2x9mC1 PRO 590 HD2 0.08 0.07 0.13 -0.04 3.68 3.93 2x9mC1 PRO 590 HD3 -0.02 0.31 0.23 -0.04 3.65 4.14 2x9mC1 LYS 591 H 0.02 0.58 0.31 -0.55 8.42 8.79 2x9mC1 LYS 591 HA -0.08 0.15 0.91 -0.75 4.32 4.55 2x9mC1 LYS 591 HB2 0.07 0.00 0.10 -0.04 1.87 2.00 2x9mC1 LYS 591 HB3 -0.37 0.01 -0.00 -0.04 1.79 1.39 2x9mC1 LYS 591 HG2 -0.06 0.07 -0.10 -0.04 1.46 1.33 2x9mC1 LYS 591 HG3 -0.02 0.02 -0.05 -0.04 1.46 1.36 2x9mC1 LYS 591 HD2 0.07 -0.02 -0.04 -0.04 1.69 1.66 2x9mC1 LYS 591 HD3 -0.07 0.01 -0.03 -0.04 1.68 1.55 2x9mC1 LYS 591 HE2 -0.03 0.02 -0.01 -0.04 2.99 2.92 2x9mC1 LYS 591 HE3 -0.02 -0.01 -0.01 -0.04 2.99 2.91 2x9mC1 LEU 592 H -0.24 0.21 0.14 -0.55 8.37 7.93 2x9mC1 LEU 592 HA -0.08 0.28 1.00 -0.75 4.35 4.80 2x9mC1 LEU 592 HB2 -0.70 0.02 0.08 -0.04 1.64 0.99 2x9mC1 LEU 592 HB3 -0.36 0.01 -0.15 -0.04 1.64 1.10 2x9mC1 LEU 592 HG -0.19 0.01 -0.17 -0.04 1.64 1.24 2x9mC1 LEU 592 HD13 -0.30 -0.01 -0.36 -0.04 0.93 0.22 2x9mC1 LEU 592 HD23 -0.71 0.00 -0.18 -0.04 0.89 -0.04 2x9mC1 PHE 593 H 0.21 0.68 0.32 -0.55 8.34 9.00 2x9mC1 PHE 593 HA -0.03 0.19 0.96 -0.75 4.62 4.98 2x9mC1 PHE 593 HB2 -0.03 -0.02 0.06 -0.04 3.15 3.12 2x9mC1 PHE 593 HB3 -0.07 0.02 -0.06 -0.04 3.06 2.91 2x9mC1 PHE 593 HD2 -0.02 0.09 -0.16 -0.04 7.28 7.15 2x9mC1 PHE 593 HE2 -0.01 0.04 -0.12 -0.04 7.38 7.25 2x9mC1 PHE 593 HZ -0.01 0.01 -0.13 -0.04 7.32 7.14 2x9mC1 ALA 594 H 0.12 0.76 0.35 -0.55 8.40 9.08 2x9mC1 ALA 594 HA 0.14 0.28 1.01 -0.75 4.34 5.02 2x9mC1 ALA 594 HB3 0.16 -0.01 0.01 -0.04 1.41 1.53 2x9mC1 VAL 595 H 0.05 0.70 0.28 -0.55 8.24 8.72 2x9mC1 VAL 595 HA -0.18 0.19 0.99 -0.75 4.13 4.38 2x9mC1 VAL 595 HB -0.56 -0.04 -0.03 -0.04 2.12 1.45 2x9mC1 VAL 595 HG13 -0.50 0.02 -0.28 -0.04 0.97 0.17 2x9mC1 VAL 595 HG23 -0.70 -0.01 -0.28 -0.04 0.95 -0.09 2x9mC1 LYS 596 H -0.52 0.21 0.12 -0.55 8.42 7.67 2x9mC1 LYS 596 HA -1.35 0.14 0.80 -0.75 4.32 3.16 2x9mC1 LYS 596 HB2 -1.56 -0.02 0.09 -0.04 1.87 0.34 2x9mC1 LYS 596 HB3 -0.56 -0.01 0.13 -0.04 1.79 1.31 2x9mC1 LYS 596 HG2 -0.53 0.16 -0.26 -0.04 1.46 0.79 2x9mC1 LYS 596 HG3 -0.95 -0.03 0.01 -0.04 1.46 0.45 2x9mC1 LYS 596 HD2 -0.27 0.00 -0.05 -0.04 1.69 1.33 2x9mC1 LYS 596 HD3 -0.23 -0.04 -0.04 -0.04 1.68 1.33 2x9mC1 LYS 596 HE2 -0.06 -0.01 0.01 -0.04 2.99 2.89 2x9mC1 LYS 596 HE3 -0.20 0.01 0.01 -0.04 2.99 2.78 2x9mC1 ILE 597 H -0.45 0.53 0.25 -0.55 8.25 8.03 2x9mC1 ILE 597 HA -0.10 0.13 0.62 -0.75 4.18 4.08 2x9mC1 ILE 597 HB -0.13 -0.05 0.10 -0.04 1.89 1.78 2x9mC1 ILE 597 HG12 -0.15 0.04 -0.18 -0.04 1.49 1.16 2x9mC1 ILE 597 HG13 -0.02 -0.04 -0.14 -0.04 1.21 0.96 2x9mC1 ILE 597 HG23 0.05 0.02 -0.09 -0.04 0.93 0.86 2x9mC1 ILE 597 HD13 0.11 -0.00 -0.25 -0.04 0.88 0.69 2x9mC1 PRO 598 HA -0.16 0.02 0.38 -0.51 4.44 4.18 2x9mC1 PRO 598 HB2 -0.21 0.17 -0.05 -0.04 2.28 2.15 2x9mC1 PRO 598 HB3 -0.18 0.07 0.10 -0.04 2.02 1.97 2x9mC1 PRO 598 HG2 -0.51 -0.04 -0.02 -0.04 2.03 1.43 2x9mC1 PRO 598 HG3 -0.22 0.28 -0.04 -0.04 2.03 2.02 2x9mC1 PRO 598 HD2 -0.03 0.02 0.14 -0.04 3.68 3.77 2x9mC1 PRO 598 HD3 -0.03 0.13 0.23 -0.04 3.65 3.94 2x9mC1 ALA 599 H -0.10 0.05 0.20 -0.55 8.40 8.01 2x9mC1 ALA 599 HA -0.05 0.16 0.61 -0.75 4.34 4.31 2x9mC1 ALA 599 HB3 -0.05 -0.00 0.07 -0.04 1.41 1.39 2x9mC1 GLN 600 H -0.07 0.04 0.10 -0.55 8.47 7.99 2x9mC1 GLN 600 HA -0.04 0.13 0.69 -0.75 4.36 4.38 2x9mC1 GLN 600 HB2 -0.06 0.06 0.07 -0.04 2.15 2.18 2x9mC1 GLN 600 HB3 -0.05 -0.16 0.03 -0.04 2.02 1.81 2x9mC1 GLN 600 HG2 -0.03 -0.01 0.00 -0.04 2.40 2.32 2x9mC1 GLN 600 HG3 -0.03 0.04 -0.01 -0.04 2.39 2.35 2x9mC1 GLN 600 HE21 -0.02 0.03 -0.01 -0.04 6.97 6.92 2x9mC1 GLN 600 HE22 -0.02 -0.01 -0.02 -0.04 7.69 7.59 2x9mC1 CYS 601 H -0.05 0.06 0.13 -0.55 8.50 8.09 2x9mC1 CYS 601 HA -0.14 0.26 0.70 -0.75 4.58 4.64 2x9mC1 CYS 601 HB2 -0.03 -0.03 0.03 -0.04 2.97 2.90 2x9mC1 CYS 601 HB3 -0.04 0.04 0.04 -0.04 2.97 2.97 2x9mC1 SER 602 H -0.05 -0.05 -0.05 -0.55 8.46 7.76 2x9mC1 SER 602 HA -0.04 0.16 0.65 -0.75 4.49 4.50 2x9mC1 SER 602 HB2 -0.03 -0.04 0.10 -0.04 3.95 3.94 2x9mC1 SER 602 HB3 -0.02 0.02 0.04 -0.04 3.93 3.93 2x9mC1 GLU 603 H -0.03 0.12 -0.00 -0.55 8.60 8.14 2x9mC1 GLU 603 HA -0.03 0.03 0.15 -0.75 4.29 3.68 2x9mC1 GLU 603 HB2 -0.04 -0.11 -0.42 -0.04 2.09 1.48 2x9mC1 GLU 603 HB3 -0.05 0.19 0.01 -0.04 1.99 2.10 2x9mC1 GLU 603 HG2 -0.03 0.01 -0.03 -0.04 2.34 2.25 2x9mC1 GLU 603 HG3 -0.03 0.05 0.01 -0.04 2.34 2.33