============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 64 rings ring int. center anis. iso. PHE 3 1.000 28.756 -7.477 -1.599 -99.200 -91.000 TYR 9 0.840 21.465 4.001 5.229 -99.200 -91.000 TRP 17 1.040 29.294 15.665 15.939 -99.200 -91.000 TRP6 17 1.020 29.339 17.860 16.862 -99.200 -91.000 TYR 20 0.840 35.923 21.396 13.367 -99.200 -91.000 TYR 27 0.840 47.235 22.220 14.642 -99.200 -91.000 PHE 36 1.000 32.965 15.664 26.531 -99.200 -91.000 TYR 39 0.840 32.761 21.152 36.085 -99.200 -91.000 HIS 40 0.900 35.923 13.844 37.948 -99.200 -91.000 TYR 44 0.840 23.148 12.394 42.745 -99.200 -91.000 TYR 63 0.840 20.596 -10.693 27.285 -99.200 -91.000 PHE 67 1.000 8.746 -2.900 24.405 -99.200 -91.000 HIS 69 0.900 16.643 -2.208 35.646 -99.200 -91.000 TYR 80 0.840 10.186 13.168 32.218 -99.200 -91.000 TYR 101 0.840 22.493 9.971 17.312 -99.200 -91.000 TYR 105 0.840 17.508 4.181 13.628 -99.200 -91.000 HIS 111 0.900 4.937 7.178 14.995 -99.200 -91.000 PHE 124 1.000 20.194 20.207 10.090 -99.200 -91.000 PHE 125 1.000 21.748 16.007 18.126 -99.200 -91.000 TYR 128 0.840 16.825 17.060 15.498 -99.200 -91.000 PHE 141 1.000 16.477 20.527 5.884 -99.200 -91.000 TRP 158 1.040 19.654 33.988 17.161 -99.200 -91.000 TRP6 158 1.020 20.949 33.057 15.448 -99.200 -91.000 PHE 169 1.000 3.182 22.364 10.180 -99.200 -91.000 HIS 182 0.900 18.061 25.434 18.130 -99.200 -91.000 TRP 204 1.040 -1.858 22.044 8.320 -99.200 -91.000 TRP6 204 1.020 -2.935 21.777 6.239 -99.200 -91.000 TYR 214 0.840 21.169 20.301 25.654 -99.200 -91.000 HIS 216 0.900 15.617 18.110 34.368 -99.200 -91.000 PHE 219 1.000 21.730 29.192 31.590 -99.200 -91.000 PHE 222 1.000 14.738 34.253 29.136 -99.200 -91.000 HIS 224 0.900 11.519 22.245 28.780 -99.200 -91.000 TRP 234 1.040 -0.821 11.948 26.558 -99.200 -91.000 TRP6 234 1.020 1.336 11.879 27.594 -99.200 -91.000 PHE 246 1.000 20.283 11.868 36.731 -99.200 -91.000 TRP 251 1.040 27.227 6.891 32.900 -99.200 -91.000 TRP6 251 1.020 26.129 6.731 34.996 -99.200 -91.000 TRP 255 1.040 13.741 10.114 29.369 -99.200 -91.000 TRP6 255 1.020 15.663 9.792 30.713 -99.200 -91.000 TYR 257 0.840 7.738 12.512 28.570 -99.200 -91.000 HIS 270 0.900 14.650 -0.383 22.321 -99.200 -91.000 TYR 275 0.840 15.316 -7.964 23.917 -99.200 -91.000 PHE 289 1.000 15.658 10.479 36.151 -99.200 -91.000 TYR 302 0.840 23.468 18.100 38.150 -99.200 -91.000 PHE 303 1.000 16.131 16.185 38.248 -99.200 -91.000 TYR 316 0.840 34.971 34.400 32.702 -99.200 -91.000 PHE 320 1.000 35.541 33.896 27.039 -99.200 -91.000 TYR 335 0.840 25.857 21.309 27.674 -99.200 -91.000 PHE 336 1.000 26.653 22.635 22.919 -99.200 -91.000 TRP 341 1.040 33.167 33.761 12.714 -99.200 -91.000 TRP6 341 1.020 34.514 34.228 10.802 -99.200 -91.000 TYR 360 0.840 32.907 22.887 8.384 -99.200 -91.000 PHE 362 1.000 36.647 32.639 13.749 -99.200 -91.000 TRP 365 1.040 44.057 31.780 11.524 -99.200 -91.000 TRP6 365 1.020 43.324 33.255 13.202 -99.200 -91.000 PHE 380 1.000 25.912 21.840 14.343 -99.200 -91.000 TYR 381 0.840 22.079 27.294 9.659 -99.200 -91.000 HIS 387 0.900 22.420 32.133 3.078 -99.200 -91.000 PHE 392 1.000 25.755 33.871 13.291 -99.200 -91.000 TYR 395 0.840 33.928 29.919 20.601 -99.200 -91.000 PHE 397 1.000 27.414 28.383 28.653 -99.200 -91.000 PHE 398 1.000 28.356 21.010 32.411 -99.200 -91.000 TRP 414 1.040 43.918 36.989 17.453 -99.200 -91.000 TRP6 414 1.020 42.066 38.349 16.935 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2r5cA1 ASN 11 HA 0.01 0.00 0.19 -0.75 4.76 4.20 2r5cA1 ASN 11 HB2 -0.01 -0.03 0.05 -0.04 2.88 2.84 2r5cA1 ASN 11 HB3 -0.03 0.04 -0.12 -0.04 2.79 2.63 2r5cA1 ASN 11 HD21 0.00 0.01 0.00 -0.04 7.03 7.00 2r5cA1 ASN 11 HD22 -0.01 0.02 -0.03 -0.04 7.74 7.67 2r5cA1 LYS 12 H -0.08 0.17 0.09 -0.55 8.42 8.05 2r5cA1 LYS 12 HA -0.22 0.05 0.40 -0.75 4.32 3.80 2r5cA1 LYS 12 HB2 -0.24 -0.02 0.13 -0.04 1.87 1.70 2r5cA1 LYS 12 HB3 -0.30 -0.03 0.14 -0.04 1.79 1.56 2r5cA1 LYS 12 HG2 -1.02 -0.03 -0.03 -0.04 1.46 0.34 2r5cA1 LYS 12 HG3 -1.73 0.07 -0.28 -0.04 1.46 -0.53 2r5cA1 LYS 12 HD2 -0.40 0.03 0.05 -0.04 1.69 1.33 2r5cA1 LYS 12 HD3 -0.26 -0.02 0.05 -0.04 1.68 1.41 2r5cA1 LYS 12 HE2 -0.14 -0.02 0.01 -0.04 2.99 2.80 2r5cA1 LYS 12 HE3 -0.29 -0.01 -0.01 -0.04 2.99 2.65 2r5cA1 PHE 13 H 0.03 0.07 -0.33 -0.55 8.34 7.56 2r5cA1 PHE 13 HA 0.01 0.24 0.68 -0.75 4.62 4.80 2r5cA1 PHE 13 HB2 0.01 -0.04 0.01 -0.04 3.15 3.08 2r5cA1 PHE 13 HB3 0.01 0.01 0.12 -0.04 3.06 3.16 2r5cA1 PHE 13 HD2 0.01 0.03 -0.03 -0.04 7.28 7.25 2r5cA1 PHE 13 HE2 0.01 -0.01 -0.03 -0.04 7.38 7.31 2r5cA1 PHE 13 HZ 0.01 -0.02 -0.03 -0.04 7.32 7.24 2r5cA1 ASP 14 H 0.04 0.21 -0.43 -0.55 8.40 7.67 2r5cA1 ASP 14 HA 0.06 -0.04 0.42 -0.75 4.63 4.31 2r5cA1 ASP 14 HB2 0.02 0.18 -0.02 -0.04 2.71 2.86 2r5cA1 ASP 14 HB3 0.04 0.06 0.02 -0.04 2.70 2.78 2r5cA1 LEU 15 H 0.05 0.02 0.12 -0.55 8.37 8.01 2r5cA1 LEU 15 HA 0.05 0.06 0.43 -0.75 4.35 4.14 2r5cA1 LEU 15 HB2 0.08 0.01 0.12 -0.04 1.64 1.82 2r5cA1 LEU 15 HB3 0.12 0.07 0.09 -0.04 1.64 1.87 2r5cA1 LEU 15 HG 0.00 -0.04 0.06 -0.04 1.64 1.62 2r5cA1 LEU 15 HD13 0.03 -0.01 0.06 -0.04 0.93 0.96 2r5cA1 LEU 15 HD23 -0.15 -0.01 0.02 -0.04 0.89 0.72 2r5cA1 PRO 16 HA 0.08 0.10 0.55 -0.51 4.44 4.66 2r5cA1 PRO 16 HB2 0.25 -0.07 -0.04 -0.04 2.28 2.38 2r5cA1 PRO 16 HB3 0.11 0.01 0.12 -0.04 2.02 2.22 2r5cA1 PRO 16 HG2 0.21 0.03 0.07 -0.04 2.03 2.30 2r5cA1 PRO 16 HG3 0.12 0.08 0.09 -0.04 2.03 2.27 2r5cA1 PRO 16 HD2 0.13 0.03 0.20 -0.04 3.68 4.00 2r5cA1 PRO 16 HD3 0.09 0.25 0.16 -0.04 3.65 4.11 2r5cA1 LYS 17 H 0.05 0.13 0.12 -0.55 8.42 8.16 2r5cA1 LYS 17 HA 0.05 0.14 0.21 -0.75 4.32 3.96 2r5cA1 LYS 17 HB2 0.02 -0.00 0.14 -0.04 1.87 1.98 2r5cA1 LYS 17 HB3 -0.00 0.02 0.04 -0.04 1.79 1.80 2r5cA1 LYS 17 HG2 -0.00 0.01 -0.05 -0.04 1.46 1.37 2r5cA1 LYS 17 HG3 0.02 0.01 0.05 -0.04 1.46 1.49 2r5cA1 LYS 17 HD2 0.01 0.02 0.01 -0.04 1.69 1.69 2r5cA1 LYS 17 HD3 0.00 -0.01 0.02 -0.04 1.68 1.66 2r5cA1 LYS 17 HE2 0.01 -0.01 0.00 -0.04 2.99 2.95 2r5cA1 LYS 17 HE3 0.00 -0.01 0.00 -0.04 2.99 2.94 2r5cA1 ARG 18 H -0.03 0.06 -0.29 -0.55 8.46 7.64 2r5cA1 ARG 18 HA -0.11 0.06 0.09 -0.75 4.34 3.62 2r5cA1 ARG 18 HB2 -0.26 0.18 0.20 -0.04 1.90 1.98 2r5cA1 ARG 18 HB3 -0.14 -0.06 0.08 -0.04 1.80 1.65 2r5cA1 ARG 18 HG2 -0.34 -0.12 -0.13 -0.04 1.67 1.04 2r5cA1 ARG 18 HG3 -0.94 0.03 -0.10 -0.04 1.67 0.62 2r5cA1 ARG 18 HD2 -0.13 0.18 0.05 -0.04 3.22 3.27 2r5cA1 ARG 18 HD3 -0.07 -0.07 0.02 -0.04 3.22 3.06 2r5cA1 TYR 19 H 0.12 0.33 -0.97 -0.55 8.29 7.21 2r5cA1 TYR 19 HA 0.04 0.09 0.70 -0.75 4.56 4.64 2r5cA1 TYR 19 HB2 0.04 0.05 0.13 -0.04 3.06 3.24 2r5cA1 TYR 19 HB3 0.05 -0.10 0.06 -0.04 2.98 2.95 2r5cA1 TYR 19 HD2 0.05 0.04 -0.07 -0.04 7.15 7.13 2r5cA1 TYR 19 HE2 0.08 -0.02 -0.05 -0.04 6.85 6.81 2r5cA1 GLN 20 H 0.04 0.19 -0.18 -0.55 8.47 7.96 2r5cA1 GLN 20 HA 0.06 0.14 0.70 -0.75 4.36 4.50 2r5cA1 GLN 20 HB2 0.02 0.10 0.12 -0.04 2.15 2.35 2r5cA1 GLN 20 HB3 0.03 -0.06 0.05 -0.04 2.02 2.00 2r5cA1 GLN 20 HG2 0.03 0.02 0.07 -0.04 2.40 2.47 2r5cA1 GLN 20 HG3 0.02 -0.01 0.00 -0.04 2.39 2.36 2r5cA1 GLN 20 HE21 0.03 -0.05 -0.13 -0.04 6.97 6.78 2r5cA1 GLN 20 HE22 0.03 0.01 -0.11 -0.04 7.69 7.59 2r5cA1 GLY 21 H 0.07 0.13 -0.12 -0.55 8.43 7.96 2r5cA1 GLY 21 HA2 0.05 0.15 0.19 -0.51 4.01 3.89 2r5cA1 GLY 21 HA3 0.06 -0.02 0.25 -0.51 4.01 3.79 2r5cA1 SER 22 H 0.07 0.40 -0.44 -0.55 8.46 7.94 2r5cA1 SER 22 HA 0.10 -0.03 -0.13 -0.75 4.49 3.68 2r5cA1 SER 22 HB2 0.09 -0.01 -0.09 -0.04 3.95 3.90 2r5cA1 SER 22 HB3 0.16 0.03 -0.15 -0.04 3.93 3.92 2r5cA1 THR 23 H 0.07 0.13 0.18 -0.55 8.28 8.12 2r5cA1 THR 23 HA 0.04 0.14 0.92 -0.75 4.39 4.73 2r5cA1 THR 23 HB 0.03 0.07 -0.03 -0.04 4.32 4.35 2r5cA1 THR 23 HG23 0.05 -0.02 -0.04 -0.04 1.22 1.17 2r5cA1 LYS 24 H 0.03 0.13 0.14 -0.55 8.42 8.17 2r5cA1 LYS 24 HA 0.05 0.07 0.78 -0.75 4.32 4.47 2r5cA1 LYS 24 HB2 0.03 -0.00 0.08 -0.04 1.87 1.94 2r5cA1 LYS 24 HB3 0.04 -0.00 0.03 -0.04 1.79 1.82 2r5cA1 LYS 24 HG2 0.04 0.02 0.08 -0.04 1.46 1.55 2r5cA1 LYS 24 HG3 0.03 0.04 0.07 -0.04 1.46 1.56 2r5cA1 LYS 24 HD2 0.04 -0.05 0.02 -0.04 1.69 1.65 2r5cA1 LYS 24 HD3 0.03 0.02 0.02 -0.04 1.68 1.71 2r5cA1 LYS 24 HE2 0.02 0.04 0.01 -0.04 2.99 3.03 2r5cA1 LYS 24 HE3 0.02 -0.01 0.02 -0.04 2.99 2.97 2r5cA1 SER 25 H 0.08 0.11 0.14 -0.55 8.46 8.24 2r5cA1 SER 25 HA -0.06 0.17 0.54 -0.75 4.49 4.38 2r5cA1 SER 25 HB2 0.01 -0.07 0.10 -0.04 3.95 3.95 2r5cA1 SER 25 HB3 0.17 0.15 0.10 -0.04 3.93 4.31 2r5cA1 VAL 26 H -0.33 0.26 0.17 -0.55 8.24 7.79 2r5cA1 VAL 26 HA -0.05 0.08 0.45 -0.75 4.13 3.86 2r5cA1 VAL 26 HB -0.38 0.08 0.17 -0.04 2.12 1.95 2r5cA1 VAL 26 HG13 -1.35 0.01 -0.04 -0.04 0.97 -0.46 2r5cA1 VAL 26 HG23 -0.49 0.02 0.06 -0.04 0.95 0.49 2r5cA1 TRP 27 H -0.55 0.01 -0.48 -0.55 7.97 6.40 2r5cA1 TRP 27 HA 0.08 0.11 0.25 -0.75 4.62 4.31 2r5cA1 TRP 27 HB2 0.06 -0.01 0.01 -0.04 3.23 3.25 2r5cA1 TRP 27 HB3 0.07 0.06 -0.03 -0.04 3.23 3.29 2r5cA1 TRP 27 HD1 0.04 0.02 0.00 -0.04 7.22 7.24 2r5cA1 TRP 27 HE1 -0.01 -0.03 -0.01 -0.04 10.20 10.11 2r5cA1 TRP 27 HE3 0.03 0.02 -0.09 -0.04 7.59 7.51 2r5cA1 TRP 27 HZ2 0.03 -0.05 -0.02 -0.04 7.44 7.36 2r5cA1 TRP 27 HZ3 -0.02 0.13 -0.07 -0.04 7.13 7.13 2r5cA1 TRP 27 HH2 0.05 0.04 -0.07 -0.04 7.19 7.17 2r5cA1 VAL 28 H 0.20 0.24 -0.11 -0.55 8.24 8.03 2r5cA1 VAL 28 HA 0.15 0.06 0.34 -0.75 4.13 3.93 2r5cA1 VAL 28 HB 0.08 0.03 0.11 -0.04 2.12 2.30 2r5cA1 VAL 28 HG13 0.06 0.01 -0.07 -0.04 0.97 0.93 2r5cA1 VAL 28 HG23 0.11 0.00 0.09 -0.04 0.95 1.11 2r5cA1 GLU 29 H 0.10 0.22 -0.16 -0.55 8.60 8.21 2r5cA1 GLU 29 HA 0.00 0.04 0.34 -0.75 4.29 3.92 2r5cA1 GLU 29 HB2 -0.03 0.02 0.10 -0.04 2.09 2.13 2r5cA1 GLU 29 HB3 0.04 -0.00 0.09 -0.04 1.99 2.07 2r5cA1 GLU 29 HG2 0.20 0.25 0.07 -0.04 2.34 2.82 2r5cA1 GLU 29 HG3 -0.28 0.00 -0.18 -0.04 2.34 1.84 2r5cA1 TYR 30 H 0.27 0.35 -0.33 -0.55 8.29 8.03 2r5cA1 TYR 30 HA 0.02 0.10 0.84 -0.75 4.56 4.77 2r5cA1 TYR 30 HB2 0.09 0.06 0.05 -0.04 3.06 3.22 2r5cA1 TYR 30 HB3 0.06 -0.00 0.00 -0.04 2.98 2.99 2r5cA1 TYR 30 HD2 -0.09 0.17 0.05 -0.04 7.15 7.24 2r5cA1 TYR 30 HE2 -0.24 -0.02 -0.03 -0.04 6.85 6.52 2r5cA1 ILE 31 H 0.20 0.59 0.04 -0.55 8.25 8.53 2r5cA1 ILE 31 HA 0.13 0.04 0.62 -0.75 4.18 4.21 2r5cA1 ILE 31 HB 0.13 0.11 0.20 -0.04 1.89 2.28 2r5cA1 ILE 31 HG12 0.13 -0.02 -0.01 -0.04 1.49 1.56 2r5cA1 ILE 31 HG13 0.20 -0.00 -0.01 -0.04 1.21 1.36 2r5cA1 ILE 31 HG23 0.08 -0.01 -0.10 -0.04 0.93 0.86 2r5cA1 ILE 31 HD13 0.16 -0.04 -0.16 -0.04 0.88 0.80 2r5cA1 GLN 32 H 0.06 0.59 -0.01 -0.55 8.47 8.57 2r5cA1 GLN 32 HA 0.03 0.05 0.38 -0.75 4.36 4.07 2r5cA1 GLN 32 HB2 0.01 0.06 0.11 -0.04 2.15 2.29 2r5cA1 GLN 32 HB3 0.01 0.00 0.02 -0.04 2.02 2.01 2r5cA1 GLN 32 HG2 0.02 0.00 0.00 -0.04 2.40 2.39 2r5cA1 GLN 32 HG3 0.04 0.01 0.00 -0.04 2.39 2.40 2r5cA1 GLN 32 HE21 0.03 -0.02 -0.05 -0.04 6.97 6.88 2r5cA1 GLN 32 HE22 0.03 -0.01 -0.05 -0.04 7.69 7.63 2r5cA1 LEU 33 H -0.02 0.31 -0.25 -0.55 8.37 7.86 2r5cA1 LEU 33 HA 0.06 0.04 0.28 -0.75 4.35 3.98 2r5cA1 LEU 33 HB2 -0.20 0.10 0.19 -0.04 1.64 1.68 2r5cA1 LEU 33 HB3 -0.10 0.06 0.16 -0.04 1.64 1.71 2r5cA1 LEU 33 HG -0.11 -0.01 -0.06 -0.04 1.64 1.43 2r5cA1 LEU 33 HD13 -0.09 -0.00 0.04 -0.04 0.93 0.83 2r5cA1 LEU 33 HD23 -0.24 0.00 0.04 -0.04 0.89 0.65 2r5cA1 ALA 34 H 0.06 0.39 -0.33 -0.55 8.40 7.98 2r5cA1 ALA 34 HA 0.07 0.05 0.42 -0.75 4.34 4.12 2r5cA1 ALA 34 HB3 0.07 0.01 0.10 -0.04 1.41 1.55 2r5cA1 ALA 35 H 0.05 0.32 -0.32 -0.55 8.40 7.91 2r5cA1 ALA 35 HA 0.03 0.07 0.54 -0.75 4.34 4.23 2r5cA1 ALA 35 HB3 0.03 0.00 0.07 -0.04 1.41 1.47 2r5cA1 GLN 36 H 0.05 0.25 -0.25 -0.55 8.47 7.97 2r5cA1 GLN 36 HA -0.07 0.05 0.44 -0.75 4.36 4.03 2r5cA1 GLN 36 HB2 -0.01 -0.02 0.09 -0.04 2.15 2.17 2r5cA1 GLN 36 HB3 0.11 0.08 0.21 -0.04 2.02 2.37 2r5cA1 GLN 36 HG2 -0.64 0.06 -0.26 -0.04 2.40 1.52 2r5cA1 GLN 36 HG3 -0.20 -0.04 -0.01 -0.04 2.39 2.10 2r5cA1 GLN 36 HE21 0.05 -0.05 -0.02 -0.04 6.97 6.91 2r5cA1 GLN 36 HE22 -0.30 0.02 -0.04 -0.04 7.69 7.33 2r5cA1 TYR 37 H 0.24 0.42 0.07 -0.55 8.29 8.46 2r5cA1 TYR 37 HA -0.03 0.15 0.70 -0.75 4.56 4.62 2r5cA1 TYR 37 HB2 -0.05 0.01 -0.01 -0.04 3.06 2.97 2r5cA1 TYR 37 HB3 -0.06 0.08 -0.02 -0.04 2.98 2.93 2r5cA1 TYR 37 HD2 -0.06 0.12 0.07 -0.04 7.15 7.24 2r5cA1 TYR 37 HE2 -0.05 -0.02 0.01 -0.04 6.85 6.74 2r5cA1 LYS 38 H 0.07 0.12 -0.35 -0.55 8.42 7.71 2r5cA1 LYS 38 HA 0.04 0.21 0.39 -0.75 4.32 4.21 2r5cA1 LYS 38 HB2 0.01 0.10 -0.05 -0.04 1.87 1.88 2r5cA1 LYS 38 HB3 0.01 -0.09 0.18 -0.04 1.79 1.85 2r5cA1 LYS 38 HG2 0.00 0.13 -0.21 -0.04 1.46 1.35 2r5cA1 LYS 38 HG3 -0.00 -0.09 -0.04 -0.04 1.46 1.28 2r5cA1 LYS 38 HD2 0.02 -0.07 0.05 -0.04 1.69 1.64 2r5cA1 LYS 38 HD3 0.02 0.15 0.11 -0.04 1.68 1.92 2r5cA1 LYS 38 HE2 0.00 -0.06 0.02 -0.04 2.99 2.91 2r5cA1 LYS 38 HE3 0.01 -0.10 0.03 -0.04 2.99 2.89 2r5cA1 PRO 39 HA -0.01 0.19 0.46 -0.51 4.44 4.57 2r5cA1 PRO 39 HB2 -0.04 -0.01 -0.39 -0.04 2.28 1.80 2r5cA1 PRO 39 HB3 -0.04 0.10 -0.09 -0.04 2.02 1.94 2r5cA1 PRO 39 HG2 0.02 -0.07 -0.26 -0.04 2.03 1.67 2r5cA1 PRO 39 HG3 0.01 -0.04 -0.12 -0.04 2.03 1.84 2r5cA1 PRO 39 HD2 0.05 0.14 0.23 -0.04 3.68 4.05 2r5cA1 PRO 39 HD3 0.07 0.09 -0.11 -0.04 3.65 3.65 2r5cA1 LEU 40 H -0.03 0.71 0.27 -0.55 8.37 8.78 2r5cA1 LEU 40 HA -0.00 0.02 0.78 -0.75 4.35 4.40 2r5cA1 LEU 40 HB2 -0.03 0.08 0.22 -0.04 1.64 1.87 2r5cA1 LEU 40 HB3 -0.04 -0.01 0.26 -0.04 1.64 1.81 2r5cA1 LEU 40 HG 0.00 -0.06 -0.01 -0.04 1.64 1.53 2r5cA1 LEU 40 HD13 -0.01 -0.02 0.07 -0.04 0.93 0.93 2r5cA1 LEU 40 HD23 -0.02 0.03 -0.05 -0.04 0.89 0.81 2r5cA1 ASN 41 H 0.01 0.20 0.08 -0.55 8.53 8.27 2r5cA1 ASN 41 HA 0.04 0.03 0.46 -0.75 4.76 4.53 2r5cA1 ASN 41 HB2 0.02 0.21 0.01 -0.04 2.88 3.07 2r5cA1 ASN 41 HB3 -0.01 -0.00 0.16 -0.04 2.79 2.91 2r5cA1 ASN 41 HD21 0.06 -0.01 -0.06 -0.04 7.03 6.97 2r5cA1 ASN 41 HD22 0.04 0.09 -0.01 -0.04 7.74 7.81 2r5cA1 LEU 42 H 0.09 0.51 0.38 -0.55 8.37 8.81 2r5cA1 LEU 42 HA 0.10 0.19 0.74 -0.75 4.35 4.63 2r5cA1 LEU 42 HB2 0.21 0.22 0.19 -0.04 1.64 2.22 2r5cA1 LEU 42 HB3 0.41 -0.19 0.28 -0.04 1.64 2.10 2r5cA1 LEU 42 HG 0.19 0.14 0.05 -0.04 1.64 1.98 2r5cA1 LEU 42 HD13 0.07 0.04 -0.36 -0.04 0.93 0.64 2r5cA1 LEU 42 HD23 0.01 -0.01 -0.06 -0.04 0.89 0.78 2r5cA1 GLY 43 H 0.06 0.01 -0.26 -0.55 8.43 7.69 2r5cA1 GLY 43 HA2 0.11 0.13 0.35 -0.51 4.01 4.09 2r5cA1 GLY 43 HA3 0.09 0.01 0.08 -0.51 4.01 3.68 2r5cA1 GLN 44 H -0.11 0.16 -0.19 -0.55 8.47 7.78 2r5cA1 GLN 44 HA -0.21 0.03 0.37 -0.75 4.36 3.79 2r5cA1 GLN 44 HB2 -0.63 0.11 0.08 -0.04 2.15 1.67 2r5cA1 GLN 44 HB3 -1.83 -0.01 -0.08 -0.04 2.02 0.06 2r5cA1 GLN 44 HG2 -0.12 -0.01 -0.08 -0.04 2.40 2.15 2r5cA1 GLN 44 HG3 -0.11 -0.09 -0.10 -0.04 2.39 2.06 2r5cA1 GLN 44 HE21 0.12 0.04 -0.03 -0.04 6.97 7.07 2r5cA1 GLN 44 HE22 0.13 -0.03 -0.05 -0.04 7.69 7.70 2r5cA1 GLY 45 H -0.08 0.11 0.04 -0.55 8.43 7.95 2r5cA1 GLY 45 HA2 -0.05 0.16 0.45 -0.51 4.01 4.06 2r5cA1 GLY 45 HA3 0.42 -0.05 0.30 -0.51 4.01 4.17 2r5cA1 PHE 46 H -0.63 0.55 -0.47 -0.55 8.34 7.24 2r5cA1 PHE 46 HA -0.36 0.06 0.31 -0.75 4.62 3.88 2r5cA1 PHE 46 HB2 -0.25 0.07 0.01 -0.04 3.15 2.94 2r5cA1 PHE 46 HB3 -0.13 -0.02 -0.00 -0.04 3.06 2.87 2r5cA1 PHE 46 HD2 -0.16 0.14 -0.37 -0.04 7.28 6.85 2r5cA1 PHE 46 HE2 -0.08 0.02 -0.11 -0.04 7.38 7.16 2r5cA1 PHE 46 HZ -0.05 0.02 -0.08 -0.04 7.32 7.17 2r5cA1 PRO 47 HA -1.01 0.23 0.44 -0.51 4.44 3.59 2r5cA1 PRO 47 HB2 -0.89 0.27 0.02 -0.04 2.28 1.65 2r5cA1 PRO 47 HB3 -1.88 -0.02 0.05 -0.04 2.02 0.12 2r5cA1 PRO 47 HG2 -0.41 0.03 0.13 -0.04 2.03 1.74 2r5cA1 PRO 47 HG3 -0.55 0.09 0.13 -0.04 2.03 1.66 2r5cA1 PRO 47 HD2 -0.19 0.00 0.19 -0.04 3.68 3.64 2r5cA1 PRO 47 HD3 -0.69 0.09 0.15 -0.04 3.65 3.16 2r5cA1 ASP 48 H -0.28 0.28 0.31 -0.55 8.40 8.16 2r5cA1 ASP 48 HA -0.06 0.14 0.68 -0.75 4.63 4.64 2r5cA1 ASP 48 HB2 0.08 -0.18 0.34 -0.04 2.71 2.91 2r5cA1 ASP 48 HB3 0.10 -0.06 0.07 -0.04 2.70 2.78 2r5cA1 TYR 49 H -0.65 0.07 -0.34 -0.55 8.29 6.82 2r5cA1 TYR 49 HA -0.28 0.20 0.71 -0.75 4.56 4.43 2r5cA1 TYR 49 HB2 -0.03 -0.05 0.11 -0.04 3.06 3.04 2r5cA1 TYR 49 HB3 -0.06 -0.04 -0.11 -0.04 2.98 2.73 2r5cA1 TYR 49 HD2 -0.02 -0.02 -0.11 -0.04 7.15 6.97 2r5cA1 TYR 49 HE2 0.13 0.02 -0.31 -0.04 6.85 6.65 2r5cA1 HIS 50 H 0.17 0.06 0.13 -0.55 8.41 8.22 2r5cA1 HIS 50 HA -0.10 0.10 0.28 -0.75 4.63 4.15 2r5cA1 HIS 50 HB2 0.02 -0.02 0.10 -0.04 3.26 3.32 2r5cA1 HIS 50 HB3 -0.05 0.03 0.08 -0.04 3.20 3.21 2r5cA1 HIS 50 HD2 0.04 -0.03 0.08 -0.04 6.97 7.01 2r5cA1 HIS 50 HE1 -0.01 0.02 -0.01 -0.04 7.75 7.71 2r5cA1 ALA 51 H -0.07 0.04 0.16 -0.55 8.40 7.98 2r5cA1 ALA 51 HA -0.11 0.12 0.48 -0.75 4.34 4.07 2r5cA1 ALA 51 HB3 -0.27 0.10 0.13 -0.04 1.41 1.33 2r5cA1 PRO 52 HA -0.16 0.06 0.52 -0.51 4.44 4.35 2r5cA1 PRO 52 HB2 -1.01 -0.14 0.10 -0.04 2.28 1.18 2r5cA1 PRO 52 HB3 -0.30 0.03 0.13 -0.04 2.02 1.84 2r5cA1 PRO 52 HG2 -0.97 0.04 0.14 -0.04 2.03 1.19 2r5cA1 PRO 52 HG3 -0.95 0.08 0.13 -0.04 2.03 1.25 2r5cA1 PRO 52 HD2 -0.47 0.31 0.26 -0.04 3.68 3.74 2r5cA1 PRO 52 HD3 -0.47 0.16 0.19 -0.04 3.65 3.49 2r5cA1 LYS 53 H -0.08 0.19 0.21 -0.55 8.42 8.18 2r5cA1 LYS 53 HA -0.11 0.12 0.29 -0.75 4.32 3.86 2r5cA1 LYS 53 HB2 -0.03 0.08 0.17 -0.04 1.87 2.05 2r5cA1 LYS 53 HB3 0.01 -0.01 0.12 -0.04 1.79 1.86 2r5cA1 LYS 53 HG2 -0.01 0.04 -0.00 -0.04 1.46 1.45 2r5cA1 LYS 53 HG3 -0.02 -0.09 -0.05 -0.04 1.46 1.26 2r5cA1 LYS 53 HD2 -0.06 -0.03 0.03 -0.04 1.69 1.59 2r5cA1 LYS 53 HD3 -0.06 0.04 0.04 -0.04 1.68 1.66 2r5cA1 LYS 53 HE2 -0.07 0.02 -0.01 -0.04 2.99 2.89 2r5cA1 LYS 53 HE3 -0.05 0.03 0.01 -0.04 2.99 2.93 2r5cA1 TYR 54 H -0.06 0.13 -0.18 -0.55 8.29 7.63 2r5cA1 TYR 54 HA -0.03 0.05 0.12 -0.75 4.56 3.95 2r5cA1 TYR 54 HB2 -0.04 0.06 0.02 -0.04 3.06 3.07 2r5cA1 TYR 54 HB3 -0.04 0.03 0.08 -0.04 2.98 3.01 2r5cA1 TYR 54 HD2 -0.07 -0.00 -0.17 -0.04 7.15 6.87 2r5cA1 TYR 54 HE2 -0.10 0.03 0.05 -0.04 6.85 6.80 2r5cA1 ALA 55 H -1.04 0.20 -0.29 -0.55 8.40 6.73 2r5cA1 ALA 55 HA -0.13 0.07 0.53 -0.75 4.34 4.06 2r5cA1 ALA 55 HB3 -0.60 0.04 0.04 -0.04 1.41 0.85 2r5cA1 LEU 56 H -0.20 0.36 -0.14 -0.55 8.37 7.84 2r5cA1 LEU 56 HA 0.23 0.01 0.44 -0.75 4.35 4.28 2r5cA1 LEU 56 HB2 -0.06 0.16 0.22 -0.04 1.64 1.92 2r5cA1 LEU 56 HB3 0.03 -0.05 0.03 -0.04 1.64 1.60 2r5cA1 LEU 56 HG -0.20 0.08 -0.07 -0.04 1.64 1.41 2r5cA1 LEU 56 HD13 -0.05 -0.03 -0.06 -0.04 0.93 0.75 2r5cA1 LEU 56 HD23 0.05 -0.01 -0.01 -0.04 0.89 0.88 2r5cA1 ASN 57 H 0.00 0.60 -0.09 -0.55 8.53 8.50 2r5cA1 ASN 57 HA 0.02 0.03 0.35 -0.75 4.76 4.41 2r5cA1 ASN 57 HB2 0.04 0.07 -0.00 -0.04 2.88 2.95 2r5cA1 ASN 57 HB3 0.03 -0.00 -0.06 -0.04 2.79 2.71 2r5cA1 ASN 57 HD21 0.01 -0.00 -0.06 -0.04 7.03 6.94 2r5cA1 ASN 57 HD22 0.04 0.01 -0.08 -0.04 7.74 7.66 2r5cA1 ALA 58 H 0.06 0.42 -0.32 -0.55 8.40 8.02 2r5cA1 ALA 58 HA 0.03 0.03 0.60 -0.75 4.34 4.25 2r5cA1 ALA 58 HB3 0.07 0.05 0.15 -0.04 1.41 1.63 2r5cA1 LEU 59 H 0.10 0.38 -0.28 -0.55 8.37 8.02 2r5cA1 LEU 59 HA -0.15 0.09 0.56 -0.75 4.35 4.10 2r5cA1 LEU 59 HB2 -0.28 0.01 0.08 -0.04 1.64 1.41 2r5cA1 LEU 59 HB3 0.05 0.14 0.13 -0.04 1.64 1.92 2r5cA1 LEU 59 HG -0.19 0.01 -0.21 -0.04 1.64 1.20 2r5cA1 LEU 59 HD13 -0.53 -0.01 -0.13 -0.04 0.93 0.22 2r5cA1 LEU 59 HD23 -0.53 0.00 -0.05 -0.04 0.89 0.27 2r5cA1 ALA 60 H 0.02 0.42 0.01 -0.55 8.40 8.29 2r5cA1 ALA 60 HA -0.02 0.04 0.50 -0.75 4.34 4.10 2r5cA1 ALA 60 HB3 0.00 0.04 0.12 -0.04 1.41 1.53 2r5cA1 ALA 61 H 0.00 0.60 -0.16 -0.55 8.40 8.29 2r5cA1 ALA 61 HA -0.01 0.04 0.28 -0.75 4.34 3.90 2r5cA1 ALA 61 HB3 0.01 0.01 0.06 -0.04 1.41 1.45 2r5cA1 ALA 62 H -0.04 0.33 -0.38 -0.55 8.40 7.77 2r5cA1 ALA 62 HA -0.02 0.04 0.61 -0.75 4.34 4.21 2r5cA1 ALA 62 HB3 -0.07 -0.00 0.16 -0.04 1.41 1.46 2r5cA1 ALA 63 H -0.06 0.48 -0.11 -0.55 8.40 8.16 2r5cA1 ALA 63 HA -0.06 0.04 0.63 -0.75 4.34 4.20 2r5cA1 ALA 63 HB3 -0.06 -0.01 0.09 -0.04 1.41 1.39 2r5cA1 ASN 64 H -0.03 0.37 -0.28 -0.55 8.53 8.04 2r5cA1 ASN 64 HA -0.02 0.13 0.63 -0.75 4.76 4.75 2r5cA1 ASN 64 HB2 -0.01 0.04 0.04 -0.04 2.88 2.90 2r5cA1 ASN 64 HB3 -0.01 -0.07 0.11 -0.04 2.79 2.78 2r5cA1 ASN 64 HD21 -0.01 -0.09 -0.04 -0.04 7.03 6.85 2r5cA1 ASN 64 HD22 -0.01 -0.03 -0.16 -0.04 7.74 7.50 2r5cA1 SER 65 H -0.02 0.16 -0.71 -0.55 8.46 7.35 2r5cA1 SER 65 HA -0.01 0.05 0.16 -0.75 4.49 3.94 2r5cA1 SER 65 HB2 -0.01 0.06 0.18 -0.04 3.95 4.14 2r5cA1 SER 65 HB3 -0.02 0.17 0.12 -0.04 3.93 4.16 2r5cA1 PRO 66 HA -0.01 0.16 0.52 -0.51 4.44 4.60 2r5cA1 PRO 66 HB2 -0.00 -0.02 0.06 -0.04 2.28 2.27 2r5cA1 PRO 66 HB3 -0.00 0.04 0.12 -0.04 2.02 2.13 2r5cA1 PRO 66 HG2 0.00 -0.02 0.03 -0.04 2.03 2.00 2r5cA1 PRO 66 HG3 -0.00 0.02 0.07 -0.04 2.03 2.08 2r5cA1 PRO 66 HD2 -0.00 0.05 0.22 -0.04 3.68 3.91 2r5cA1 PRO 66 HD3 -0.00 0.21 0.16 -0.04 3.65 3.98 2r5cA1 ASP 67 H -0.00 0.08 -0.33 -0.55 8.40 7.60 2r5cA1 ASP 67 HA 0.00 0.18 0.67 -0.75 4.63 4.73 2r5cA1 ASP 67 HB2 0.01 0.04 0.04 -0.04 2.71 2.76 2r5cA1 ASP 67 HB3 0.01 0.01 0.12 -0.04 2.70 2.80 2r5cA1 PRO 68 HA -0.01 0.17 0.26 -0.51 4.44 4.35 2r5cA1 PRO 68 HB2 -0.01 0.02 -0.04 -0.04 2.28 2.21 2r5cA1 PRO 68 HB3 -0.01 0.07 0.09 -0.04 2.02 2.13 2r5cA1 PRO 68 HG2 0.00 -0.03 0.06 -0.04 2.03 2.02 2r5cA1 PRO 68 HG3 -0.00 0.06 0.08 -0.04 2.03 2.13 2r5cA1 PRO 68 HD2 0.00 0.02 0.24 -0.04 3.68 3.91 2r5cA1 PRO 68 HD3 -0.00 0.32 0.28 -0.04 3.65 4.21 2r5cA1 LEU 69 H 0.01 0.09 -0.31 -0.55 8.37 7.61 2r5cA1 LEU 69 HA -0.00 0.18 0.76 -0.75 4.35 4.54 2r5cA1 LEU 69 HB2 0.02 -0.03 -0.01 -0.04 1.64 1.58 2r5cA1 LEU 69 HB3 0.03 0.05 0.04 -0.04 1.64 1.73 2r5cA1 LEU 69 HG 0.03 0.04 0.02 -0.04 1.64 1.68 2r5cA1 LEU 69 HD13 0.01 0.00 -0.12 -0.04 0.93 0.79 2r5cA1 LEU 69 HD23 0.03 0.00 -0.01 -0.04 0.89 0.87 2r5cA1 ALA 70 H -0.01 0.49 -0.33 -0.55 8.40 8.01 2r5cA1 ALA 70 HA -0.01 -0.01 0.48 -0.75 4.34 4.04 2r5cA1 ALA 70 HB3 -0.02 0.02 0.12 -0.04 1.41 1.50 2r5cA1 ASN 71 H -0.04 0.16 -0.40 -0.55 8.53 7.71 2r5cA1 ASN 71 HA -0.08 0.09 0.77 -0.75 4.76 4.79 2r5cA1 ASN 71 HB2 -0.05 0.08 0.06 -0.04 2.88 2.92 2r5cA1 ASN 71 HB3 -0.07 -0.04 0.17 -0.04 2.79 2.81 2r5cA1 ASN 71 HD21 -0.05 0.18 0.14 -0.04 7.03 7.26 2r5cA1 ASN 71 HD22 -0.04 -0.02 -0.06 -0.04 7.74 7.58 2r5cA1 GLN 72 H -0.04 0.27 -0.28 -0.55 8.47 7.88 2r5cA1 GLN 72 HA -0.14 0.17 0.86 -0.75 4.36 4.49 2r5cA1 GLN 72 HB2 -0.00 0.04 0.07 -0.04 2.15 2.21 2r5cA1 GLN 72 HB3 -0.03 -0.08 0.11 -0.04 2.02 1.98 2r5cA1 GLN 72 HG2 -0.04 0.18 0.02 -0.04 2.40 2.52 2r5cA1 GLN 72 HG3 -0.03 -0.04 -0.02 -0.04 2.39 2.26 2r5cA1 GLN 72 HE21 -0.07 -0.02 -0.03 -0.04 6.97 6.81 2r5cA1 GLN 72 HE22 -0.05 0.07 -0.06 -0.04 7.69 7.61 2r5cA1 TYR 73 H -0.08 0.07 0.13 -0.55 8.29 7.87 2r5cA1 TYR 73 HA 0.03 -0.01 0.19 -0.75 4.56 4.02 2r5cA1 TYR 73 HB2 0.05 -0.05 0.12 -0.04 3.06 3.14 2r5cA1 TYR 73 HB3 0.10 0.10 -0.04 -0.04 2.98 3.09 2r5cA1 TYR 73 HD2 0.06 -0.01 0.03 -0.04 7.15 7.19 2r5cA1 TYR 73 HE2 0.04 0.02 0.01 -0.04 6.85 6.87 2r5cA1 THR 74 H 0.17 0.13 0.15 -0.55 8.28 8.18 2r5cA1 THR 74 HA 0.13 0.23 0.87 -0.75 4.39 4.86 2r5cA1 THR 74 HB 0.04 0.12 0.06 -0.04 4.32 4.51 2r5cA1 THR 74 HG23 0.04 0.05 -0.07 -0.04 1.22 1.20 2r5cA1 ARG 75 H 0.11 0.08 0.13 -0.55 8.46 8.22 2r5cA1 ARG 75 HA -0.04 0.04 0.49 -0.75 4.34 4.08 2r5cA1 ARG 75 HB2 0.02 0.01 0.18 -0.04 1.90 2.07 2r5cA1 ARG 75 HB3 0.06 0.09 0.12 -0.04 1.80 2.02 2r5cA1 ARG 75 HG2 -0.05 -0.20 -0.11 -0.04 1.67 1.28 2r5cA1 ARG 75 HG3 -0.08 0.01 0.09 -0.04 1.67 1.65 2r5cA1 ARG 75 HD2 0.00 -0.03 0.05 -0.04 3.22 3.20 2r5cA1 ARG 75 HD3 0.03 0.19 0.05 -0.04 3.22 3.45 2r5cA1 GLY 76 H -0.25 0.13 0.20 -0.55 8.43 7.96 2r5cA1 GLY 76 HA2 -0.32 0.08 0.47 -0.51 4.01 3.72 2r5cA1 GLY 76 HA3 -0.52 0.10 0.36 -0.51 4.01 3.43 2r5cA1 PHE 77 H -0.16 0.03 -0.07 -0.55 8.34 7.59 2r5cA1 PHE 77 HA -0.02 0.21 0.77 -0.75 4.62 4.82 2r5cA1 PHE 77 HB2 0.02 -0.01 0.11 -0.04 3.15 3.23 2r5cA1 PHE 77 HB3 0.01 0.09 0.21 -0.04 3.06 3.33 2r5cA1 PHE 77 HD2 0.07 0.09 -0.09 -0.04 7.28 7.31 2r5cA1 PHE 77 HE2 0.09 0.04 0.01 -0.04 7.38 7.48 2r5cA1 PHE 77 HZ 0.06 0.03 -0.02 -0.04 7.32 7.36 2r5cA1 GLY 78 H 0.11 0.26 -0.56 -0.55 8.43 7.70 2r5cA1 GLY 78 HA2 0.15 -0.05 0.34 -0.51 4.01 3.94 2r5cA1 GLY 78 HA3 0.13 0.11 0.40 -0.51 4.01 4.15 2r5cA1 HIS 79 H 0.23 0.12 0.08 -0.55 8.41 8.30 2r5cA1 HIS 79 HA 0.05 0.11 0.64 -0.75 4.63 4.67 2r5cA1 HIS 79 HB2 0.07 0.13 0.14 -0.04 3.26 3.56 2r5cA1 HIS 79 HB3 0.08 -0.10 0.13 -0.04 3.20 3.27 2r5cA1 HIS 79 HD2 0.06 0.01 -0.25 -0.04 6.97 6.74 2r5cA1 HIS 79 HE1 0.03 0.10 0.04 -0.04 7.75 7.87 2r5cA1 PRO 80 HA -0.05 0.12 0.31 -0.51 4.44 4.30 2r5cA1 PRO 80 HB2 -0.18 -0.01 0.10 -0.04 2.28 2.15 2r5cA1 PRO 80 HB3 -0.07 0.07 0.06 -0.04 2.02 2.04 2r5cA1 PRO 80 HG2 -0.03 0.07 0.13 -0.04 2.03 2.15 2r5cA1 PRO 80 HG3 -0.02 0.10 0.15 -0.04 2.03 2.21 2r5cA1 PRO 80 HD2 -0.20 0.10 0.25 -0.04 3.68 3.79 2r5cA1 PRO 80 HD3 0.07 0.09 0.37 -0.04 3.65 4.13 2r5cA1 ARG 81 H -0.55 0.14 -0.16 -0.55 8.46 7.34 2r5cA1 ARG 81 HA -0.07 0.11 0.37 -0.75 4.34 3.99 2r5cA1 ARG 81 HB2 -0.13 0.03 0.07 -0.04 1.90 1.83 2r5cA1 ARG 81 HB3 -0.09 -0.01 0.01 -0.04 1.80 1.68 2r5cA1 ARG 81 HG2 0.04 -0.02 -0.10 -0.04 1.67 1.55 2r5cA1 ARG 81 HG3 -0.00 0.02 0.02 -0.04 1.67 1.67 2r5cA1 ARG 81 HD2 0.04 0.01 -0.01 -0.04 3.22 3.22 2r5cA1 ARG 81 HD3 0.09 0.03 -0.01 -0.04 3.22 3.28 2r5cA1 LEU 82 H -0.06 0.09 -0.36 -0.55 8.37 7.50 2r5cA1 LEU 82 HA 0.13 0.03 0.44 -0.75 4.35 4.20 2r5cA1 LEU 82 HB2 0.27 -0.03 0.05 -0.04 1.64 1.89 2r5cA1 LEU 82 HB3 0.16 0.17 0.12 -0.04 1.64 2.05 2r5cA1 LEU 82 HG 0.17 0.02 -0.18 -0.04 1.64 1.61 2r5cA1 LEU 82 HD13 0.25 -0.01 -0.06 -0.04 0.93 1.07 2r5cA1 LEU 82 HD23 0.29 -0.02 0.03 -0.04 0.89 1.15 2r5cA1 VAL 83 H 0.02 0.57 -0.15 -0.55 8.24 8.14 2r5cA1 VAL 83 HA -0.04 -0.01 0.19 -0.75 4.13 3.52 2r5cA1 VAL 83 HB 0.02 0.09 -0.02 -0.04 2.12 2.16 2r5cA1 VAL 83 HG13 0.08 -0.01 -0.15 -0.04 0.97 0.86 2r5cA1 VAL 83 HG23 0.02 0.04 -0.23 -0.04 0.95 0.73 2r5cA1 GLN 84 H -0.03 0.45 -0.35 -0.55 8.47 7.98 2r5cA1 GLN 84 HA -0.04 0.02 0.54 -0.75 4.36 4.13 2r5cA1 GLN 84 HB2 -0.03 0.09 0.14 -0.04 2.15 2.31 2r5cA1 GLN 84 HB3 -0.03 -0.02 0.03 -0.04 2.02 1.96 2r5cA1 GLN 84 HG2 -0.03 0.16 0.04 -0.04 2.40 2.53 2r5cA1 GLN 84 HG3 -0.02 -0.04 -0.01 -0.04 2.39 2.28 2r5cA1 GLN 84 HE21 -0.02 -0.01 0.04 -0.04 6.97 6.94 2r5cA1 GLN 84 HE22 -0.02 0.02 0.04 -0.04 7.69 7.69 2r5cA1 ALA 85 H -0.03 0.44 -0.15 -0.55 8.40 8.12 2r5cA1 ALA 85 HA -0.05 0.04 0.38 -0.75 4.34 3.96 2r5cA1 ALA 85 HB3 0.05 0.03 0.11 -0.04 1.41 1.56 2r5cA1 LEU 86 H -0.22 0.49 -0.10 -0.55 8.37 8.00 2r5cA1 LEU 86 HA -0.71 0.01 0.45 -0.75 4.35 3.35 2r5cA1 LEU 86 HB2 -0.23 0.10 0.05 -0.04 1.64 1.53 2r5cA1 LEU 86 HB3 -0.40 -0.03 -0.11 -0.04 1.64 1.06 2r5cA1 LEU 86 HG -0.32 0.21 -0.12 -0.04 1.64 1.37 2r5cA1 LEU 86 HD13 -0.22 -0.02 -0.19 -0.04 0.93 0.47 2r5cA1 LEU 86 HD23 -1.42 -0.02 -0.11 -0.04 0.89 -0.71 2r5cA1 SER 87 H -0.13 0.57 -0.19 -0.55 8.46 8.17 2r5cA1 SER 87 HA -0.09 -0.05 0.35 -0.75 4.49 3.94 2r5cA1 SER 87 HB2 -0.04 0.19 0.10 -0.04 3.95 4.15 2r5cA1 SER 87 HB3 -0.04 -0.05 -0.02 -0.04 3.93 3.78 2r5cA1 LYS 88 H -0.11 0.45 -0.30 -0.55 8.42 7.91 2r5cA1 LYS 88 HA -0.07 0.01 0.42 -0.75 4.32 3.93 2r5cA1 LYS 88 HB2 -0.07 0.13 0.17 -0.04 1.87 2.06 2r5cA1 LYS 88 HB3 -0.06 0.02 0.01 -0.04 1.79 1.72 2r5cA1 LYS 88 HG2 -0.04 -0.01 0.03 -0.04 1.46 1.39 2r5cA1 LYS 88 HG3 -0.04 -0.03 0.02 -0.04 1.46 1.37 2r5cA1 LYS 88 HD2 -0.02 -0.03 -0.04 -0.04 1.69 1.57 2r5cA1 LYS 88 HD3 -0.01 0.01 -0.03 -0.04 1.68 1.60 2r5cA1 LYS 88 HE2 -0.02 -0.00 -0.01 -0.04 2.99 2.91 2r5cA1 LYS 88 HE3 -0.01 -0.03 -0.02 -0.04 2.99 2.88 2r5cA1 LEU 89 H -0.25 0.51 -0.13 -0.55 8.37 7.96 2r5cA1 LEU 89 HA -0.14 0.04 0.38 -0.75 4.35 3.87 2r5cA1 LEU 89 HB2 -0.25 0.01 0.11 -0.04 1.64 1.47 2r5cA1 LEU 89 HB3 -0.67 0.06 0.22 -0.04 1.64 1.20 2r5cA1 LEU 89 HG -0.77 -0.01 -0.26 -0.04 1.64 0.55 2r5cA1 LEU 89 HD13 -0.02 -0.00 0.03 -0.04 0.93 0.89 2r5cA1 LEU 89 HD23 -0.50 -0.02 -0.04 -0.04 0.89 0.29 2r5cA1 TYR 90 H -0.34 0.64 0.02 -0.55 8.29 8.05 2r5cA1 TYR 90 HA -0.18 0.01 0.29 -0.75 4.56 3.93 2r5cA1 TYR 90 HB2 -0.45 0.10 0.01 -0.04 3.06 2.68 2r5cA1 TYR 90 HB3 -0.56 -0.03 -0.08 -0.04 2.98 2.27 2r5cA1 TYR 90 HD2 -0.36 0.05 -0.06 -0.04 7.15 6.74 2r5cA1 TYR 90 HE2 -0.37 -0.02 -0.10 -0.04 6.85 6.32 2r5cA1 SER 91 H -0.09 0.62 -0.07 -0.55 8.46 8.38 2r5cA1 SER 91 HA -0.09 0.12 0.59 -0.75 4.49 4.36 2r5cA1 SER 91 HB2 -0.07 0.19 0.19 -0.04 3.95 4.21 2r5cA1 SER 91 HB3 -0.07 -0.05 0.06 -0.04 3.93 3.83 2r5cA1 GLN 92 H -0.07 0.39 -0.33 -0.55 8.47 7.92 2r5cA1 GLN 92 HA -0.04 0.05 0.50 -0.75 4.36 4.12 2r5cA1 GLN 92 HB2 -0.04 0.15 0.13 -0.04 2.15 2.35 2r5cA1 GLN 92 HB3 -0.02 -0.07 0.07 -0.04 2.02 1.97 2r5cA1 GLN 92 HG2 -0.03 -0.08 0.02 -0.04 2.40 2.27 2r5cA1 GLN 92 HG3 -0.05 0.33 0.15 -0.04 2.39 2.78 2r5cA1 GLN 92 HE21 -0.01 -0.03 0.00 -0.04 6.97 6.89 2r5cA1 GLN 92 HE22 -0.03 0.05 -0.00 -0.04 7.69 7.67 2r5cA1 LEU 93 H -0.03 0.24 -0.12 -0.55 8.37 7.92 2r5cA1 LEU 93 HA 0.03 0.11 0.47 -0.75 4.35 4.20 2r5cA1 LEU 93 HB2 0.08 -0.00 0.08 -0.04 1.64 1.76 2r5cA1 LEU 93 HB3 0.09 -0.05 -0.00 -0.04 1.64 1.63 2r5cA1 LEU 93 HG -0.08 0.26 0.04 -0.04 1.64 1.82 2r5cA1 LEU 93 HD13 -0.20 -0.05 -0.13 -0.04 0.93 0.52 2r5cA1 LEU 93 HD23 0.02 -0.00 -0.04 -0.04 0.89 0.82 2r5cA1 VAL 94 H 0.03 0.69 0.04 -0.55 8.24 8.46 2r5cA1 VAL 94 HA 0.08 0.14 0.83 -0.75 4.13 4.43 2r5cA1 VAL 94 HB 0.14 -0.02 -0.02 -0.04 2.12 2.18 2r5cA1 VAL 94 HG13 0.30 -0.01 -0.10 -0.04 0.97 1.12 2r5cA1 VAL 94 HG23 -0.08 0.03 -0.18 -0.04 0.95 0.69 2r5cA1 ASP 95 H -0.02 0.13 -0.59 -0.55 8.40 7.37 2r5cA1 ASP 95 HA -0.05 0.14 0.33 -0.75 4.63 4.30 2r5cA1 ASP 95 HB2 -0.01 0.03 -0.19 -0.04 2.71 2.50 2r5cA1 ASP 95 HB3 -0.03 0.04 0.06 -0.04 2.70 2.72 2r5cA1 ARG 96 H -0.14 0.28 -0.13 -0.55 8.46 7.91 2r5cA1 ARG 96 HA -0.16 0.07 0.20 -0.75 4.34 3.70 2r5cA1 ARG 96 HB2 -0.36 -0.07 0.09 -0.04 1.90 1.52 2r5cA1 ARG 96 HB3 -0.32 0.16 0.04 -0.04 1.80 1.64 2r5cA1 ARG 96 HG2 -0.41 -0.04 -0.24 -0.04 1.67 0.94 2r5cA1 ARG 96 HG3 -0.59 -0.05 -0.50 -0.04 1.67 0.49 2r5cA1 ARG 96 HD2 -0.72 0.13 -0.11 -0.04 3.22 2.48 2r5cA1 ARG 96 HD3 -2.04 -0.05 -0.15 -0.04 3.22 0.94 2r5cA1 THR 97 H -0.15 0.13 0.06 -0.55 8.28 7.78 2r5cA1 THR 97 HA -0.10 0.17 1.01 -0.75 4.39 4.71 2r5cA1 THR 97 HB -0.06 0.04 -0.04 -0.04 4.32 4.22 2r5cA1 THR 97 HG23 -0.06 0.01 -0.06 -0.04 1.22 1.07 2r5cA1 ILE 98 H -0.08 0.22 0.13 -0.55 8.25 7.96 2r5cA1 ILE 98 HA 0.01 0.08 0.63 -0.75 4.18 4.14 2r5cA1 ILE 98 HB -0.04 -0.02 0.05 -0.04 1.89 1.84 2r5cA1 ILE 98 HG12 0.11 0.04 -0.18 -0.04 1.49 1.42 2r5cA1 ILE 98 HG13 -0.17 0.02 -0.30 -0.04 1.21 0.73 2r5cA1 ILE 98 HG23 0.13 -0.01 -0.24 -0.04 0.93 0.77 2r5cA1 ILE 98 HD13 -0.05 -0.02 -0.25 -0.04 0.88 0.52 2r5cA1 ASN 99 H 0.08 0.17 0.14 -0.55 8.53 8.38 2r5cA1 ASN 99 HA 0.02 0.20 0.63 -0.75 4.76 4.85 2r5cA1 ASN 99 HB2 0.05 0.13 0.11 -0.04 2.88 3.13 2r5cA1 ASN 99 HB3 0.08 -0.07 0.19 -0.04 2.79 2.95 2r5cA1 ASN 99 HD21 0.04 0.04 -0.01 -0.04 7.03 7.06 2r5cA1 ASN 99 HD22 0.04 0.06 0.02 -0.04 7.74 7.82 2r5cA1 PRO 100 HA 0.01 0.11 0.17 -0.51 4.44 4.22 2r5cA1 PRO 100 HB2 0.01 -0.00 -0.20 -0.04 2.28 2.05 2r5cA1 PRO 100 HB3 -0.02 0.15 0.00 -0.04 2.02 2.12 2r5cA1 PRO 100 HG2 0.01 -0.02 0.08 -0.04 2.03 2.05 2r5cA1 PRO 100 HG3 -0.01 0.08 0.09 -0.04 2.03 2.15 2r5cA1 PRO 100 HD2 0.01 0.04 0.26 -0.04 3.68 3.95 2r5cA1 PRO 100 HD3 -0.00 0.46 0.35 -0.04 3.65 4.41 2r5cA1 MET 101 H 0.04 0.05 -0.22 -0.55 8.47 7.80 2r5cA1 MET 101 HA 0.08 0.19 0.57 -0.75 4.52 4.61 2r5cA1 MET 101 HB2 0.05 -0.03 0.01 -0.04 2.15 2.14 2r5cA1 MET 101 HB3 0.07 0.05 0.03 -0.04 2.03 2.13 2r5cA1 MET 101 HG2 0.03 -0.05 -0.04 -0.04 2.63 2.53 2r5cA1 MET 101 HG3 0.03 0.02 -0.01 -0.04 2.56 2.57 2r5cA1 MET 101 HE3 0.01 -0.02 -0.08 -0.04 2.10 1.97 2r5cA1 THR 102 H 0.07 -0.00 -0.20 -0.55 8.28 7.59 2r5cA1 THR 102 HA 0.07 0.35 1.12 -0.75 4.39 5.18 2r5cA1 THR 102 HB 0.06 -0.00 0.07 -0.04 4.32 4.40 2r5cA1 THR 102 HG23 0.07 -0.00 -0.17 -0.04 1.22 1.08 2r5cA1 GLU 103 H 0.08 0.41 0.12 -0.55 8.60 8.66 2r5cA1 GLU 103 HA 0.08 0.26 0.85 -0.75 4.29 4.73 2r5cA1 GLU 103 HB2 0.16 0.01 0.16 -0.04 2.09 2.38 2r5cA1 GLU 103 HB3 0.32 0.04 0.23 -0.04 1.99 2.54 2r5cA1 GLU 103 HG2 0.18 0.03 0.02 -0.04 2.34 2.52 2r5cA1 GLU 103 HG3 0.13 -0.13 -0.08 -0.04 2.34 2.22 2r5cA1 VAL 104 H 0.07 0.21 -0.24 -0.55 8.24 7.73 2r5cA1 VAL 104 HA 0.12 0.19 0.80 -0.75 4.13 4.49 2r5cA1 VAL 104 HB 0.04 0.16 0.04 -0.04 2.12 2.33 2r5cA1 VAL 104 HG13 0.05 -0.04 -0.19 -0.04 0.97 0.75 2r5cA1 VAL 104 HG23 0.01 -0.03 -0.30 -0.04 0.95 0.60 2r5cA1 LEU 105 H 0.11 0.47 0.20 -0.55 8.37 8.60 2r5cA1 LEU 105 HA 0.03 0.38 0.86 -0.75 4.35 4.86 2r5cA1 LEU 105 HB2 -0.13 0.06 -0.10 -0.04 1.64 1.43 2r5cA1 LEU 105 HB3 -0.06 -0.09 0.07 -0.04 1.64 1.53 2r5cA1 LEU 105 HG -0.21 0.10 -0.18 -0.04 1.64 1.31 2r5cA1 LEU 105 HD13 -0.32 0.02 0.06 -0.04 0.93 0.65 2r5cA1 LEU 105 HD23 -0.19 -0.04 -0.19 -0.04 0.89 0.43 2r5cA1 VAL 106 H 0.07 0.68 0.19 -0.55 8.24 8.64 2r5cA1 VAL 106 HA 0.27 0.16 0.95 -0.75 4.13 4.75 2r5cA1 VAL 106 HB 0.16 -0.02 0.09 -0.04 2.12 2.31 2r5cA1 VAL 106 HG13 0.27 -0.01 -0.04 -0.04 0.97 1.15 2r5cA1 VAL 106 HG23 0.23 -0.01 -0.06 -0.04 0.95 1.07 2r5cA1 THR 107 H 0.14 0.66 0.22 -0.55 8.28 8.75 2r5cA1 THR 107 HA 0.11 0.24 0.66 -0.75 4.39 4.65 2r5cA1 THR 107 HB 0.10 -0.10 -0.34 -0.04 4.32 3.94 2r5cA1 THR 107 HG23 -0.04 0.03 -0.48 -0.04 1.22 0.69 2r5cA1 VAL 108 H 0.16 0.20 -0.02 -0.55 8.24 8.03 2r5cA1 VAL 108 HA 0.10 0.31 0.61 -0.75 4.13 4.40 2r5cA1 VAL 108 HB 0.10 -0.07 0.20 -0.04 2.12 2.31 2r5cA1 VAL 108 HG13 0.05 0.02 0.07 -0.04 0.97 1.07 2r5cA1 VAL 108 HG23 0.11 0.02 0.02 -0.04 0.95 1.06 2r5cA1 GLY 109 H 0.07 0.27 -0.21 -0.55 8.43 8.02 2r5cA1 GLY 109 HA2 -0.01 -0.02 -0.08 -0.51 4.01 3.39 2r5cA1 GLY 109 HA3 0.05 0.10 0.26 -0.51 4.01 3.91 2r5cA1 ALA 110 H -0.10 0.16 0.06 -0.55 8.40 7.97 2r5cA1 ALA 110 HA -0.16 0.16 0.50 -0.75 4.34 4.09 2r5cA1 ALA 110 HB3 -0.21 0.03 -0.03 -0.04 1.41 1.15 2r5cA1 TYR 111 H 0.16 0.03 -0.36 -0.55 8.29 7.57 2r5cA1 TYR 111 HA 0.12 0.07 0.23 -0.75 4.56 4.23 2r5cA1 TYR 111 HB2 0.08 -0.08 0.05 -0.04 3.06 3.07 2r5cA1 TYR 111 HB3 0.07 0.15 0.05 -0.04 2.98 3.21 2r5cA1 TYR 111 HD2 0.19 0.00 -0.13 -0.04 7.15 7.17 2r5cA1 TYR 111 HE2 0.11 0.01 -0.06 -0.04 6.85 6.87 2r5cA1 GLU 112 H 0.20 0.50 -0.12 -0.55 8.60 8.64 2r5cA1 GLU 112 HA 0.24 0.12 0.55 -0.75 4.29 4.44 2r5cA1 GLU 112 HB2 0.15 0.10 0.09 -0.04 2.09 2.39 2r5cA1 GLU 112 HB3 0.15 -0.13 -0.07 -0.04 1.99 1.90 2r5cA1 GLU 112 HG2 0.26 -0.04 0.08 -0.04 2.34 2.59 2r5cA1 GLU 112 HG3 0.15 0.09 -0.01 -0.04 2.34 2.52 2r5cA1 ALA 113 H 0.05 0.20 -0.69 -0.55 8.40 7.41 2r5cA1 ALA 113 HA 0.03 0.09 0.33 -0.75 4.34 4.03 2r5cA1 ALA 113 HB3 -0.05 0.03 -0.13 -0.04 1.41 1.22 2r5cA1 LEU 114 H 0.00 0.53 -0.19 -0.55 8.37 8.16 2r5cA1 LEU 114 HA -0.03 0.02 0.39 -0.75 4.35 3.98 2r5cA1 LEU 114 HB2 -0.04 0.12 0.12 -0.04 1.64 1.80 2r5cA1 LEU 114 HB3 0.03 -0.01 -0.03 -0.04 1.64 1.58 2r5cA1 LEU 114 HG -0.04 0.03 -0.01 -0.04 1.64 1.58 2r5cA1 LEU 114 HD13 0.07 -0.05 -0.13 -0.04 0.93 0.79 2r5cA1 LEU 114 HD23 -0.02 -0.00 -0.07 -0.04 0.89 0.76 2r5cA1 TYR 115 H 0.16 0.27 -0.40 -0.55 8.29 7.77 2r5cA1 TYR 115 HA 0.00 0.07 0.22 -0.75 4.56 4.10 2r5cA1 TYR 115 HB2 0.06 -0.00 0.01 -0.04 3.06 3.10 2r5cA1 TYR 115 HB3 0.08 0.03 0.09 -0.04 2.98 3.14 2r5cA1 TYR 115 HD2 0.08 -0.02 -0.14 -0.04 7.15 7.03 2r5cA1 TYR 115 HE2 0.09 0.04 -0.08 -0.04 6.85 6.85 2r5cA1 ALA 116 H 0.13 0.53 -0.14 -0.55 8.40 8.38 2r5cA1 ALA 116 HA -0.02 0.06 0.42 -0.75 4.34 4.05 2r5cA1 ALA 116 HB3 0.06 0.00 0.10 -0.04 1.41 1.53 2r5cA1 THR 117 H -0.02 0.48 -0.28 -0.55 8.28 7.91 2r5cA1 THR 117 HA 0.01 0.04 0.32 -0.75 4.39 4.01 2r5cA1 THR 117 HB -0.05 0.06 0.04 -0.04 4.32 4.32 2r5cA1 THR 117 HG23 -0.04 -0.01 -0.21 -0.04 1.22 0.92 2r5cA1 ILE 118 H -0.09 0.53 -0.15 -0.55 8.25 7.99 2r5cA1 ILE 118 HA -0.08 0.03 0.38 -0.75 4.18 3.76 2r5cA1 ILE 118 HB -0.12 0.05 0.03 -0.04 1.89 1.81 2r5cA1 ILE 118 HG12 -0.11 -0.03 -0.10 -0.04 1.49 1.22 2r5cA1 ILE 118 HG13 -0.08 0.09 0.02 -0.04 1.21 1.19 2r5cA1 ILE 118 HG23 -0.10 -0.02 -0.33 -0.04 0.93 0.44 2r5cA1 ILE 118 HD13 -0.07 -0.04 -0.11 -0.04 0.88 0.62 2r5cA1 GLN 119 H -0.28 0.56 -0.15 -0.55 8.47 8.06 2r5cA1 GLN 119 HA -0.20 0.14 0.60 -0.75 4.36 4.14 2r5cA1 GLN 119 HB2 -0.37 0.06 0.11 -0.04 2.15 1.91 2r5cA1 GLN 119 HB3 -0.22 -0.03 -0.07 -0.04 2.02 1.66 2r5cA1 GLN 119 HG2 -0.76 -0.04 0.01 -0.04 2.40 1.56 2r5cA1 GLN 119 HG3 -1.16 -0.09 -0.04 -0.04 2.39 1.06 2r5cA1 GLN 119 HE21 -0.05 0.01 0.01 -0.04 6.97 6.90 2r5cA1 GLN 119 HE22 -0.10 -0.02 -0.01 -0.04 7.69 7.52 2r5cA1 GLY 120 H -0.16 0.51 -0.24 -0.55 8.43 8.00 2r5cA1 GLY 120 HA2 -0.20 0.04 0.55 -0.51 4.01 3.89 2r5cA1 GLY 120 HA3 -0.28 -0.04 0.13 -0.51 4.01 3.31 2r5cA1 HIS 121 H -0.06 0.29 -0.32 -0.55 8.41 7.77 2r5cA1 HIS 121 HA -0.07 0.19 0.94 -0.75 4.63 4.94 2r5cA1 HIS 121 HB2 -0.10 0.11 -0.03 -0.04 3.26 3.21 2r5cA1 HIS 121 HB3 -0.08 -0.04 0.06 -0.04 3.20 3.10 2r5cA1 HIS 121 HD2 -0.10 -0.06 -0.10 -0.04 6.97 6.67 2r5cA1 HIS 121 HE1 -0.07 -0.03 0.05 -0.04 7.75 7.65 2r5cA1 VAL 122 H -0.06 0.36 -0.10 -0.55 8.24 7.89 2r5cA1 VAL 122 HA -0.04 0.06 0.86 -0.75 4.13 4.25 2r5cA1 VAL 122 HB -0.08 0.20 0.20 -0.04 2.12 2.40 2r5cA1 VAL 122 HG13 -0.08 0.00 -0.10 -0.04 0.97 0.75 2r5cA1 VAL 122 HG23 -0.08 -0.05 -0.10 -0.04 0.95 0.68 2r5cA1 ASP 123 H -0.04 0.09 0.06 -0.55 8.40 7.96 2r5cA1 ASP 123 HA -0.05 0.26 0.82 -0.75 4.63 4.90 2r5cA1 ASP 123 HB2 -0.03 0.03 -0.05 -0.04 2.71 2.61 2r5cA1 ASP 123 HB3 -0.03 0.02 0.01 -0.04 2.70 2.66 2r5cA1 GLU 124 H -0.04 0.08 0.13 -0.55 8.60 8.22 2r5cA1 GLU 124 HA -0.05 0.12 0.43 -0.75 4.29 4.04 2r5cA1 GLU 124 HB2 -0.03 -0.06 0.19 -0.04 2.09 2.14 2r5cA1 GLU 124 HB3 -0.03 0.01 0.03 -0.04 1.99 1.96 2r5cA1 GLU 124 HG2 -0.04 0.04 0.13 -0.04 2.34 2.44 2r5cA1 GLU 124 HG3 -0.03 -0.05 0.08 -0.04 2.34 2.30 2r5cA1 GLY 125 H -0.05 0.79 0.23 -0.55 8.43 8.86 2r5cA1 GLY 125 HA2 -0.05 -0.04 0.33 -0.51 4.01 3.74 2r5cA1 GLY 125 HA3 -0.04 0.07 0.69 -0.51 4.01 4.23 2r5cA1 ASP 126 H -0.05 0.54 -0.25 -0.55 8.40 8.09 2r5cA1 ASP 126 HA -0.06 0.15 0.52 -0.75 4.63 4.48 2r5cA1 ASP 126 HB2 -0.06 0.01 0.17 -0.04 2.71 2.79 2r5cA1 ASP 126 HB3 -0.06 0.01 0.02 -0.04 2.70 2.62 2r5cA1 GLU 127 H -0.10 0.46 0.35 -0.55 8.60 8.77 2r5cA1 GLU 127 HA -0.13 0.24 0.73 -0.75 4.29 4.37 2r5cA1 GLU 127 HB2 -0.17 -0.07 0.03 -0.04 2.09 1.84 2r5cA1 GLU 127 HB3 -0.18 0.02 -0.00 -0.04 1.99 1.78 2r5cA1 GLU 127 HG2 -0.11 0.02 -0.03 -0.04 2.34 2.18 2r5cA1 GLU 127 HG3 -0.10 0.09 0.08 -0.04 2.34 2.37 2r5cA1 VAL 128 H -0.19 0.48 0.18 -0.55 8.24 8.16 2r5cA1 VAL 128 HA -0.19 0.27 1.03 -0.75 4.13 4.49 2r5cA1 VAL 128 HB -0.19 -0.09 -0.00 -0.04 2.12 1.79 2r5cA1 VAL 128 HG13 -0.18 -0.02 -0.24 -0.04 0.97 0.48 2r5cA1 VAL 128 HG23 -0.13 0.04 -0.20 -0.04 0.95 0.62 2r5cA1 ILE 129 H -0.24 0.70 0.36 -0.55 8.25 8.52 2r5cA1 ILE 129 HA -0.27 0.21 1.00 -0.75 4.18 4.36 2r5cA1 ILE 129 HB -0.31 -0.00 0.24 -0.04 1.89 1.78 2r5cA1 ILE 129 HG12 -0.38 0.04 -0.02 -0.04 1.49 1.09 2r5cA1 ILE 129 HG13 -0.43 -0.01 -0.07 -0.04 1.21 0.66 2r5cA1 ILE 129 HG23 -0.17 -0.01 -0.14 -0.04 0.93 0.57 2r5cA1 ILE 129 HD13 -1.16 0.03 -0.18 -0.04 0.88 -0.47 2r5cA1 ILE 130 H -0.24 0.69 0.32 -0.55 8.25 8.47 2r5cA1 ILE 130 HA -0.06 0.16 1.00 -0.75 4.18 4.52 2r5cA1 ILE 130 HB -0.26 -0.05 -0.06 -0.04 1.89 1.47 2r5cA1 ILE 130 HG12 -0.21 0.03 -0.26 -0.04 1.49 1.01 2r5cA1 ILE 130 HG13 -0.34 0.09 -0.39 -0.04 1.21 0.53 2r5cA1 ILE 130 HG23 0.18 -0.01 -0.21 -0.04 0.93 0.85 2r5cA1 ILE 130 HD13 -0.33 -0.02 -0.21 -0.04 0.88 0.28 2r5cA1 ILE 131 H 0.13 0.25 0.20 -0.55 8.25 8.28 2r5cA1 ILE 131 HA 0.17 0.29 1.01 -0.75 4.18 4.89 2r5cA1 ILE 131 HB 0.18 -0.05 0.15 -0.04 1.89 2.13 2r5cA1 ILE 131 HG12 0.08 0.02 -0.07 -0.04 1.49 1.49 2r5cA1 ILE 131 HG13 0.07 -0.03 -0.02 -0.04 1.21 1.19 2r5cA1 ILE 131 HG23 0.09 0.03 -0.07 -0.04 0.93 0.93 2r5cA1 ILE 131 HD13 0.07 -0.03 0.01 -0.04 0.88 0.89 2r5cA1 GLU 132 H 0.19 0.54 0.24 -0.55 8.60 9.03 2r5cA1 GLU 132 HA 0.03 0.06 0.56 -0.75 4.29 4.19 2r5cA1 GLU 132 HB2 0.13 -0.06 -0.01 -0.04 2.09 2.11 2r5cA1 GLU 132 HB3 -0.42 0.06 0.10 -0.04 1.99 1.68 2r5cA1 GLU 132 HG2 0.26 0.02 -0.02 -0.04 2.34 2.57 2r5cA1 GLU 132 HG3 0.44 0.04 -0.15 -0.04 2.34 2.63 2r5cA1 PRO 133 HA -0.78 0.23 0.52 -0.51 4.44 3.89 2r5cA1 PRO 133 HB2 -0.22 0.04 0.01 -0.04 2.28 2.06 2r5cA1 PRO 133 HB3 -0.62 0.02 0.06 -0.04 2.02 1.43 2r5cA1 PRO 133 HG2 -0.00 -0.08 0.06 -0.04 2.03 1.97 2r5cA1 PRO 133 HG3 -0.14 0.02 0.03 -0.04 2.03 1.89 2r5cA1 PRO 133 HD2 -0.09 0.08 0.53 -0.04 3.68 4.16 2r5cA1 PRO 133 HD3 -0.01 0.12 -0.05 -0.04 3.65 3.68 2r5cA1 PHE 134 H -0.75 0.47 0.29 -0.55 8.34 7.79 2r5cA1 PHE 134 HA 0.08 0.22 0.89 -0.75 4.62 5.05 2r5cA1 PHE 134 HB2 0.29 -0.04 0.06 -0.04 3.15 3.42 2r5cA1 PHE 134 HB3 0.25 0.13 -0.08 -0.04 3.06 3.33 2r5cA1 PHE 134 HD2 0.15 0.00 -0.43 -0.04 7.28 6.96 2r5cA1 PHE 134 HE2 -0.14 -0.04 -0.18 -0.04 7.38 6.98 2r5cA1 PHE 134 HZ -0.03 0.09 -0.36 -0.04 7.32 6.98 2r5cA1 PHE 135 H -0.13 0.14 0.20 -0.55 8.34 7.99 2r5cA1 PHE 135 HA -0.32 0.09 0.69 -0.75 4.62 4.33 2r5cA1 PHE 135 HB2 -0.44 0.09 0.16 -0.04 3.15 2.91 2r5cA1 PHE 135 HB3 -1.57 -0.01 0.10 -0.04 3.06 1.53 2r5cA1 PHE 135 HD2 -0.30 0.06 -0.05 -0.04 7.28 6.95 2r5cA1 PHE 135 HE2 -0.02 0.04 -0.05 -0.04 7.38 7.31 2r5cA1 PHE 135 HZ 0.21 0.01 -0.05 -0.04 7.32 7.45 2r5cA1 ASP 136 H -0.72 0.13 0.10 -0.55 8.40 7.36 2r5cA1 ASP 136 HA 0.32 0.18 -0.10 -0.75 4.63 4.27 2r5cA1 ASP 136 HB2 0.12 0.03 0.03 -0.04 2.71 2.85 2r5cA1 ASP 136 HB3 0.26 0.06 0.07 -0.04 2.70 3.05 2r5cA1 CYS 137 H -0.55 0.03 -0.28 -0.55 8.50 7.16 2r5cA1 CYS 137 HA 0.07 0.14 0.39 -0.75 4.58 4.42 2r5cA1 CYS 137 HB2 -0.16 0.06 0.02 -0.04 2.97 2.85 2r5cA1 CYS 137 HB3 -0.11 -0.07 0.01 -0.04 2.97 2.76 2r5cA1 TYR 138 H 0.01 0.54 -0.33 -0.55 8.29 7.96 2r5cA1 TYR 138 HA -0.03 0.03 0.08 -0.75 4.56 3.88 2r5cA1 TYR 138 HB2 -0.14 0.09 0.08 -0.04 3.06 3.04 2r5cA1 TYR 138 HB3 -0.12 0.02 -0.07 -0.04 2.98 2.77 2r5cA1 TYR 138 HD2 0.12 0.01 -0.05 -0.04 7.15 7.18 2r5cA1 TYR 138 HE2 0.06 0.01 -0.02 -0.04 6.85 6.85 2r5cA1 GLU 139 H -0.25 0.17 -0.14 -0.55 8.60 7.83 2r5cA1 GLU 139 HA -0.09 0.06 0.40 -0.75 4.29 3.91 2r5cA1 GLU 139 HB2 -0.19 -0.03 -0.01 -0.04 2.09 1.82 2r5cA1 GLU 139 HB3 -0.25 0.08 0.03 -0.04 1.99 1.81 2r5cA1 GLU 139 HG2 0.06 0.04 -0.42 -0.04 2.34 1.98 2r5cA1 GLU 139 HG3 0.17 -0.01 -0.05 -0.04 2.34 2.41 2r5cA1 PRO 140 HA 0.07 0.07 0.47 -0.51 4.44 4.53 2r5cA1 PRO 140 HB2 0.14 0.04 -0.07 -0.04 2.28 2.35 2r5cA1 PRO 140 HB3 0.11 0.00 0.06 -0.04 2.02 2.15 2r5cA1 PRO 140 HG2 0.11 -0.01 0.05 -0.04 2.03 2.14 2r5cA1 PRO 140 HG3 0.11 0.03 0.04 -0.04 2.03 2.16 2r5cA1 PRO 140 HD2 0.02 -0.04 -0.32 -0.04 3.68 3.30 2r5cA1 PRO 140 HD3 0.05 0.09 0.06 -0.04 3.65 3.81 2r5cA1 MET 141 H 0.06 0.46 -0.45 -0.55 8.47 7.99 2r5cA1 MET 141 HA 0.11 0.05 0.40 -0.75 4.52 4.33 2r5cA1 MET 141 HB2 0.05 0.12 0.04 -0.04 2.15 2.32 2r5cA1 MET 141 HB3 0.03 -0.01 -0.10 -0.04 2.03 1.90 2r5cA1 MET 141 HG2 0.25 -0.03 -0.07 -0.04 2.63 2.74 2r5cA1 MET 141 HG3 0.11 0.11 -0.01 -0.04 2.56 2.73 2r5cA1 MET 141 HE3 -0.13 0.01 -0.08 -0.04 2.10 1.86 2r5cA1 VAL 142 H -0.03 0.43 -0.02 -0.55 8.24 8.06 2r5cA1 VAL 142 HA -0.08 0.06 0.42 -0.75 4.13 3.78 2r5cA1 VAL 142 HB -0.10 0.03 0.13 -0.04 2.12 2.14 2r5cA1 VAL 142 HG13 -0.13 0.02 -0.31 -0.04 0.97 0.51 2r5cA1 VAL 142 HG23 -0.13 0.05 -0.03 -0.04 0.95 0.80 2r5cA1 LYS 143 H -0.02 0.53 -0.17 -0.55 8.42 8.20 2r5cA1 LYS 143 HA -0.04 0.19 0.32 -0.75 4.32 4.04 2r5cA1 LYS 143 HB2 0.02 0.05 0.14 -0.04 1.87 2.04 2r5cA1 LYS 143 HB3 -0.00 -0.07 0.05 -0.04 1.79 1.73 2r5cA1 LYS 143 HG2 0.00 0.07 0.04 -0.04 1.46 1.53 2r5cA1 LYS 143 HG3 0.02 0.07 0.04 -0.04 1.46 1.54 2r5cA1 LYS 143 HD2 0.09 -0.06 -0.02 -0.04 1.69 1.66 2r5cA1 LYS 143 HD3 0.06 -0.04 -0.04 -0.04 1.68 1.61 2r5cA1 LYS 143 HE2 0.03 -0.02 0.02 -0.04 2.99 2.97 2r5cA1 LYS 143 HE3 0.03 0.07 0.03 -0.04 2.99 3.07 2r5cA1 ALA 144 H -0.03 0.32 -0.33 -0.55 8.40 7.81 2r5cA1 ALA 144 HA -0.27 0.34 0.51 -0.75 4.34 4.17 2r5cA1 ALA 144 HB3 -0.03 -0.01 0.07 -0.04 1.41 1.39 2r5cA1 ALA 145 H -0.08 0.35 -0.27 -0.55 8.40 7.86 2r5cA1 ALA 145 HA -0.10 0.08 0.73 -0.75 4.34 4.30 2r5cA1 ALA 145 HB3 -0.11 0.04 0.08 -0.04 1.41 1.39 2r5cA1 GLY 146 H -0.09 0.43 -0.51 -0.55 8.43 7.71 2r5cA1 GLY 146 HA2 -0.06 0.00 0.31 -0.51 4.01 3.75 2r5cA1 GLY 146 HA3 -0.06 -0.01 0.53 -0.51 4.01 3.96 2r5cA1 GLY 147 H -0.08 0.18 -0.44 -0.55 8.43 7.55 2r5cA1 GLY 147 HA2 -0.07 0.08 0.49 -0.51 4.01 4.00 2r5cA1 GLY 147 HA3 -0.09 -0.03 0.22 -0.51 4.01 3.61 2r5cA1 ILE 148 H -0.10 0.63 0.05 -0.55 8.25 8.29 2r5cA1 ILE 148 HA -0.08 0.21 0.93 -0.75 4.18 4.50 2r5cA1 ILE 148 HB -0.09 -0.02 -0.01 -0.04 1.89 1.73 2r5cA1 ILE 148 HG12 -0.05 0.01 -0.07 -0.04 1.49 1.34 2r5cA1 ILE 148 HG13 -0.06 -0.01 -0.32 -0.04 1.21 0.77 2r5cA1 ILE 148 HG23 -0.07 -0.00 -0.17 -0.04 0.93 0.65 2r5cA1 ILE 148 HD13 -0.05 0.02 -0.03 -0.04 0.88 0.77 2r5cA1 PRO 149 HA -0.38 0.21 0.50 -0.51 4.44 4.26 2r5cA1 PRO 149 HB2 -0.56 -0.05 -0.01 -0.04 2.28 1.62 2r5cA1 PRO 149 HB3 -0.70 -0.03 0.02 -0.04 2.02 1.26 2r5cA1 PRO 149 HG2 0.02 -0.01 0.05 -0.04 2.03 2.05 2r5cA1 PRO 149 HG3 -0.12 0.03 -0.01 -0.04 2.03 1.88 2r5cA1 PRO 149 HD2 -0.05 0.06 0.17 -0.04 3.68 3.83 2r5cA1 PRO 149 HD3 -0.07 0.36 0.10 -0.04 3.65 4.00 2r5cA1 ARG 150 H -0.44 0.77 0.40 -0.55 8.46 8.63 2r5cA1 ARG 150 HA -0.20 0.09 0.77 -0.75 4.34 4.24 2r5cA1 ARG 150 HB2 -0.26 -0.09 0.10 -0.04 1.90 1.62 2r5cA1 ARG 150 HB3 -0.17 0.03 0.03 -0.04 1.80 1.65 2r5cA1 ARG 150 HG2 -0.23 0.08 -0.32 -0.04 1.67 1.16 2r5cA1 ARG 150 HG3 -0.23 0.01 -0.13 -0.04 1.67 1.28 2r5cA1 ARG 150 HD2 -0.12 0.11 -0.09 -0.04 3.22 3.08 2r5cA1 ARG 150 HD3 -0.13 -0.01 -0.13 -0.04 3.22 2.91 2r5cA1 PHE 151 H 0.11 0.13 0.09 -0.55 8.34 8.12 2r5cA1 PHE 151 HA 0.04 0.40 0.76 -0.75 4.62 5.07 2r5cA1 PHE 151 HB2 0.09 -0.03 0.05 -0.04 3.15 3.23 2r5cA1 PHE 151 HB3 0.15 -0.03 -0.04 -0.04 3.06 3.10 2r5cA1 PHE 151 HD2 0.15 0.06 -0.09 -0.04 7.28 7.36 2r5cA1 PHE 151 HE2 -0.21 0.03 -0.08 -0.04 7.38 7.07 2r5cA1 PHE 151 HZ -0.07 0.02 -0.05 -0.04 7.32 7.18 2r5cA1 ILE 152 H 0.21 0.53 0.36 -0.55 8.25 8.80 2r5cA1 ILE 152 HA 0.14 0.15 0.64 -0.75 4.18 4.35 2r5cA1 ILE 152 HB 0.06 0.12 -0.14 -0.04 1.89 1.89 2r5cA1 ILE 152 HG12 0.08 0.00 -0.16 -0.04 1.49 1.37 2r5cA1 ILE 152 HG13 0.08 0.04 0.08 -0.04 1.21 1.36 2r5cA1 ILE 152 HG23 0.06 -0.00 -0.07 -0.04 0.93 0.88 2r5cA1 ILE 152 HD13 0.06 -0.01 -0.13 -0.04 0.88 0.75 2r5cA1 PRO 153 HA 0.14 0.08 0.73 -0.51 4.44 4.89 2r5cA1 PRO 153 HB2 0.17 0.16 -0.21 -0.04 2.28 2.36 2r5cA1 PRO 153 HB3 0.25 -0.05 -0.01 -0.04 2.02 2.17 2r5cA1 PRO 153 HG2 0.08 0.04 0.05 -0.04 2.03 2.16 2r5cA1 PRO 153 HG3 0.11 0.03 0.03 -0.04 2.03 2.15 2r5cA1 PRO 153 HD2 0.10 0.08 0.22 -0.04 3.68 4.04 2r5cA1 PRO 153 HD3 0.14 0.17 0.10 -0.04 3.65 4.02 2r5cA1 LEU 154 H 0.10 0.76 0.26 -0.55 8.37 8.94 2r5cA1 LEU 154 HA 0.10 0.11 0.37 -0.75 4.35 4.18 2r5cA1 LEU 154 HB2 0.12 0.03 0.11 -0.04 1.64 1.86 2r5cA1 LEU 154 HB3 0.20 -0.06 -0.27 -0.04 1.64 1.47 2r5cA1 LEU 154 HG 0.01 0.02 -0.06 -0.04 1.64 1.57 2r5cA1 LEU 154 HD13 -0.38 0.00 -0.05 -0.04 0.93 0.46 2r5cA1 LEU 154 HD23 0.03 0.01 -0.23 -0.04 0.89 0.66 2r5cA1 LYS 155 H 0.04 0.47 0.24 -0.55 8.42 8.61 2r5cA1 LYS 155 HA -0.27 0.19 0.88 -0.75 4.32 4.37 2r5cA1 LYS 155 HB2 -0.07 -0.01 0.05 -0.04 1.87 1.80 2r5cA1 LYS 155 HB3 -0.16 0.06 0.01 -0.04 1.79 1.66 2r5cA1 LYS 155 HG2 -0.03 -0.02 -0.12 -0.04 1.46 1.25 2r5cA1 LYS 155 HG3 0.04 -0.04 -0.85 -0.04 1.46 0.58 2r5cA1 LYS 155 HD2 0.03 0.06 -0.04 -0.04 1.69 1.70 2r5cA1 LYS 155 HD3 -0.01 -0.02 -0.03 -0.04 1.68 1.58 2r5cA1 LYS 155 HE2 -0.01 0.01 -0.03 -0.04 2.99 2.92 2r5cA1 LYS 155 HE3 0.02 -0.03 -0.04 -0.04 2.99 2.90 2r5cA1 PRO 156 HA -0.79 0.05 0.25 -0.51 4.44 3.45 2r5cA1 PRO 156 HB2 -0.45 0.11 0.10 -0.04 2.28 2.01 2r5cA1 PRO 156 HB3 -0.78 0.04 0.10 -0.04 2.02 1.33 2r5cA1 PRO 156 HG2 -0.66 0.03 0.09 -0.04 2.03 1.45 2r5cA1 PRO 156 HG3 -2.89 0.02 0.06 -0.04 2.03 -0.82 2r5cA1 PRO 156 HD2 -0.53 0.10 0.18 -0.04 3.68 3.39 2r5cA1 PRO 156 HD3 -1.19 0.19 0.24 -0.04 3.65 2.85 2r5cA1 ASN 157 H -0.16 0.54 0.34 -0.55 8.53 8.70 2r5cA1 ASN 157 HA -0.10 0.16 0.89 -0.75 4.76 4.96 2r5cA1 ASN 157 HB2 -0.04 -0.08 0.23 -0.04 2.88 2.95 2r5cA1 ASN 157 HB3 -0.05 0.06 0.16 -0.04 2.79 2.92 2r5cA1 ASN 157 HD21 0.02 -0.06 0.02 -0.04 7.03 6.96 2r5cA1 ASN 157 HD22 0.00 -0.03 0.04 -0.04 7.74 7.71 2r5cA1 LYS 158 H -0.16 0.13 -0.23 -0.55 8.42 7.61 2r5cA1 LYS 158 HA -0.06 0.07 0.05 -0.75 4.32 3.63 2r5cA1 LYS 158 HB2 -0.02 0.02 0.12 -0.04 1.87 1.95 2r5cA1 LYS 158 HB3 -0.02 0.00 0.22 -0.04 1.79 1.94 2r5cA1 LYS 158 HG2 -0.03 -0.08 -0.12 -0.04 1.46 1.19 2r5cA1 LYS 158 HG3 0.01 0.03 -0.20 -0.04 1.46 1.26 2r5cA1 LYS 158 HD2 0.02 -0.10 -0.09 -0.04 1.69 1.48 2r5cA1 LYS 158 HD3 0.02 0.03 -0.07 -0.04 1.68 1.61 2r5cA1 LYS 158 HE2 -0.02 0.00 -0.12 -0.04 2.99 2.81 2r5cA1 LYS 158 HE3 -0.02 -0.20 -0.60 -0.04 2.99 2.12 2r5cA1 THR 159 H -0.03 0.23 0.13 -0.55 8.28 8.07 2r5cA1 THR 159 HA -0.02 0.23 0.72 -0.75 4.39 4.56 2r5cA1 THR 159 HB -0.06 0.03 -0.24 -0.04 4.32 4.01 2r5cA1 THR 159 HG23 -0.04 0.00 -0.15 -0.04 1.22 0.99 2r5cA1 GLY 160 H -0.02 0.11 0.10 -0.55 8.43 8.08 2r5cA1 GLY 160 HA2 -0.01 0.07 0.32 -0.51 4.01 3.88 2r5cA1 GLY 160 HA3 -0.00 0.13 0.83 -0.51 4.01 4.46 2r5cA1 GLY 161 H 0.02 0.13 0.10 -0.55 8.43 8.13 2r5cA1 GLY 161 HA2 0.03 0.07 0.06 -0.51 4.01 3.66 2r5cA1 GLY 161 HA3 0.03 0.02 0.34 -0.51 4.01 3.89 2r5cA1 THR 162 H 0.06 0.16 -0.11 -0.55 8.28 7.85 2r5cA1 THR 162 HA 0.04 0.14 -0.25 -0.75 4.39 3.56 2r5cA1 THR 162 HB 0.03 -0.02 0.07 -0.04 4.32 4.36 2r5cA1 THR 162 HG23 0.03 0.01 0.11 -0.04 1.22 1.32 2r5cA1 ILE 163 H 0.09 0.49 0.33 -0.55 8.25 8.61 2r5cA1 ILE 163 HA 0.08 0.16 0.59 -0.75 4.18 4.26 2r5cA1 ILE 163 HB 0.08 -0.01 -0.20 -0.04 1.89 1.73 2r5cA1 ILE 163 HG12 0.23 0.07 -0.33 -0.04 1.49 1.42 2r5cA1 ILE 163 HG13 0.17 -0.05 -0.08 -0.04 1.21 1.21 2r5cA1 ILE 163 HG23 0.11 -0.17 -0.14 -0.04 0.93 0.68 2r5cA1 ILE 163 HD13 0.41 0.05 -0.16 -0.04 0.88 1.14 2r5cA1 SER 164 H 0.13 0.13 0.19 -0.55 8.46 8.36 2r5cA1 SER 164 HA 0.09 0.32 1.00 -0.75 4.49 5.15 2r5cA1 SER 164 HB2 0.10 0.11 0.03 -0.04 3.95 4.15 2r5cA1 SER 164 HB3 0.10 -0.10 0.08 -0.04 3.93 3.97 2r5cA1 SER 165 H 0.01 0.68 0.18 -0.55 8.46 8.79 2r5cA1 SER 165 HA 0.02 0.11 0.54 -0.75 4.49 4.41 2r5cA1 SER 165 HB2 -0.18 -0.11 -0.10 -0.04 3.95 3.52 2r5cA1 SER 165 HB3 -0.11 0.28 -0.06 -0.04 3.93 4.00 2r5cA1 ALA 166 H -0.02 0.10 -0.24 -0.55 8.40 7.70 2r5cA1 ALA 166 HA 0.01 0.13 0.65 -0.75 4.34 4.38 2r5cA1 ALA 166 HB3 0.01 0.01 0.06 -0.04 1.41 1.44 2r5cA1 ASP 167 H 0.17 0.34 -0.34 -0.55 8.40 8.01 2r5cA1 ASP 167 HA 0.06 0.09 0.47 -0.75 4.63 4.50 2r5cA1 ASP 167 HB2 0.17 0.22 0.11 -0.04 2.71 3.17 2r5cA1 ASP 167 HB3 0.01 -0.15 0.11 -0.04 2.70 2.62 2r5cA1 TRP 168 H 0.38 0.28 -0.51 -0.55 7.97 7.57 2r5cA1 TRP 168 HA -0.03 0.19 0.17 -0.75 4.62 4.20 2r5cA1 TRP 168 HB2 -0.09 0.08 0.07 -0.04 3.23 3.25 2r5cA1 TRP 168 HB3 -0.09 -0.02 -0.24 -0.04 3.23 2.83 2r5cA1 TRP 168 HD1 -0.02 0.04 -0.09 -0.04 7.22 7.11 2r5cA1 TRP 168 HE1 0.02 0.03 -0.13 -0.04 10.20 10.07 2r5cA1 TRP 168 HE3 -0.11 0.08 -0.32 -0.04 7.59 7.20 2r5cA1 TRP 168 HZ2 -0.14 0.01 -0.07 -0.04 7.44 7.20 2r5cA1 TRP 168 HZ3 -0.21 0.06 -0.03 -0.04 7.13 6.92 2r5cA1 TRP 168 HH2 -1.36 -0.01 -0.04 -0.04 7.19 5.74 2r5cA1 VAL 169 H 0.04 0.52 0.25 -0.55 8.24 8.50 2r5cA1 VAL 169 HA 0.06 0.12 0.91 -0.75 4.13 4.46 2r5cA1 VAL 169 HB 0.03 0.03 0.07 -0.04 2.12 2.21 2r5cA1 VAL 169 HG13 0.04 -0.01 -0.21 -0.04 0.97 0.76 2r5cA1 VAL 169 HG23 0.00 0.03 -0.05 -0.04 0.95 0.89 2r5cA1 LEU 170 H 0.05 0.07 0.11 -0.55 8.37 8.06 2r5cA1 LEU 170 HA 0.05 0.29 0.82 -0.75 4.35 4.76 2r5cA1 LEU 170 HB2 0.05 -0.06 -0.11 -0.04 1.64 1.48 2r5cA1 LEU 170 HB3 0.06 0.04 -0.03 -0.04 1.64 1.67 2r5cA1 LEU 170 HG 0.05 -0.07 -0.01 -0.04 1.64 1.57 2r5cA1 LEU 170 HD13 0.07 0.00 -0.08 -0.04 0.93 0.88 2r5cA1 LEU 170 HD23 0.07 0.03 -0.28 -0.04 0.89 0.67 2r5cA1 ASP 171 H 0.04 0.24 0.13 -0.55 8.40 8.26 2r5cA1 ASP 171 HA 0.03 0.15 0.75 -0.75 4.63 4.80 2r5cA1 ASP 171 HB2 0.03 0.15 0.14 -0.04 2.71 2.98 2r5cA1 ASP 171 HB3 0.04 -0.04 0.21 -0.04 2.70 2.86 2r5cA1 ASN 172 H 0.03 0.25 0.11 -0.55 8.53 8.37 2r5cA1 ASN 172 HA 0.05 0.08 0.21 -0.75 4.76 4.36 2r5cA1 ASN 172 HB2 0.03 0.00 0.14 -0.04 2.88 3.02 2r5cA1 ASN 172 HB3 0.03 0.06 -0.03 -0.04 2.79 2.81 2r5cA1 ASN 172 HD21 0.03 -0.00 -0.00 -0.04 7.03 7.01 2r5cA1 ASN 172 HD22 0.02 0.01 0.03 -0.04 7.74 7.76 2r5cA1 ASN 173 H 0.03 0.08 -0.10 -0.55 8.53 8.00 2r5cA1 ASN 173 HA 0.05 0.13 0.52 -0.75 4.76 4.71 2r5cA1 ASN 173 HB2 0.03 -0.06 0.05 -0.04 2.88 2.86 2r5cA1 ASN 173 HB3 0.03 0.09 -0.06 -0.04 2.79 2.80 2r5cA1 ASN 173 HD21 0.02 0.03 0.00 -0.04 7.03 7.04 2r5cA1 ASN 173 HD22 0.02 0.01 0.00 -0.04 7.74 7.74 2r5cA1 GLU 174 H 0.04 0.02 -0.25 -0.55 8.60 7.86 2r5cA1 GLU 174 HA 0.04 0.09 0.48 -0.75 4.29 4.15 2r5cA1 GLU 174 HB2 0.04 -0.10 0.12 -0.04 2.09 2.10 2r5cA1 GLU 174 HB3 0.05 0.09 0.10 -0.04 1.99 2.19 2r5cA1 GLU 174 HG2 0.04 0.06 -0.07 -0.04 2.34 2.33 2r5cA1 GLU 174 HG3 0.03 -0.00 0.04 -0.04 2.34 2.37 2r5cA1 LEU 175 H 0.07 0.52 -0.11 -0.55 8.37 8.30 2r5cA1 LEU 175 HA 0.09 0.04 0.29 -0.75 4.35 4.02 2r5cA1 LEU 175 HB2 0.09 -0.05 -0.01 -0.04 1.64 1.63 2r5cA1 LEU 175 HB3 0.10 0.09 0.05 -0.04 1.64 1.84 2r5cA1 LEU 175 HG 0.30 0.05 -0.25 -0.04 1.64 1.70 2r5cA1 LEU 175 HD13 0.16 -0.00 -0.06 -0.04 0.93 0.98 2r5cA1 LEU 175 HD23 0.11 -0.02 -0.12 -0.04 0.89 0.82 2r5cA1 GLU 176 H 0.10 0.42 -0.24 -0.55 8.60 8.33 2r5cA1 GLU 176 HA 0.18 0.01 0.35 -0.75 4.29 4.08 2r5cA1 GLU 176 HB2 0.08 0.12 0.16 -0.04 2.09 2.41 2r5cA1 GLU 176 HB3 0.12 -0.03 0.04 -0.04 1.99 2.09 2r5cA1 GLU 176 HG2 0.07 -0.07 0.06 -0.04 2.34 2.36 2r5cA1 GLU 176 HG3 0.06 0.30 0.12 -0.04 2.34 2.78 2r5cA1 ALA 177 H 0.06 0.42 -0.26 -0.55 8.40 8.08 2r5cA1 ALA 177 HA 0.03 0.05 0.25 -0.75 4.34 3.92 2r5cA1 ALA 177 HB3 0.02 -0.02 0.11 -0.04 1.41 1.47 2r5cA1 LEU 178 H 0.05 0.38 -0.81 -0.55 8.37 7.44 2r5cA1 LEU 178 HA -0.13 0.04 0.46 -0.75 4.35 3.97 2r5cA1 LEU 178 HB2 -0.05 0.10 0.02 -0.04 1.64 1.68 2r5cA1 LEU 178 HB3 -0.26 -0.00 -0.04 -0.04 1.64 1.31 2r5cA1 LEU 178 HG -0.21 -0.04 0.00 -0.04 1.64 1.36 2r5cA1 LEU 178 HD13 -0.05 -0.01 -0.09 -0.04 0.93 0.74 2r5cA1 LEU 178 HD23 -0.11 -0.03 -0.24 -0.04 0.89 0.46 2r5cA1 PHE 179 H 0.06 0.36 -0.09 -0.55 8.34 8.12 2r5cA1 PHE 179 HA -0.45 0.05 0.76 -0.75 4.62 4.22 2r5cA1 PHE 179 HB2 -0.43 0.10 0.18 -0.04 3.15 2.96 2r5cA1 PHE 179 HB3 -1.54 0.02 -0.01 -0.04 3.06 1.49 2r5cA1 PHE 179 HD2 -0.09 0.15 -0.02 -0.04 7.28 7.28 2r5cA1 PHE 179 HE2 -0.00 -0.04 -0.16 -0.04 7.38 7.13 2r5cA1 PHE 179 HZ -0.01 -0.07 -0.11 -0.04 7.32 7.09 2r5cA1 ASN 180 H -0.51 0.14 0.22 -0.55 8.53 7.83 2r5cA1 ASN 180 HA -1.95 0.17 0.06 -0.75 4.76 2.29 2r5cA1 ASN 180 HB2 -0.24 -0.20 0.24 -0.04 2.88 2.64 2r5cA1 ASN 180 HB3 -0.37 0.19 0.18 -0.04 2.79 2.75 2r5cA1 ASN 180 HD21 -0.15 0.01 -0.07 -0.04 7.03 6.78 2r5cA1 ASN 180 HD22 -0.17 0.08 -0.11 -0.04 7.74 7.50 2r5cA1 GLU 181 H -0.06 0.16 0.14 -0.55 8.60 8.28 2r5cA1 GLU 181 HA 0.22 0.25 0.34 -0.75 4.29 4.35 2r5cA1 GLU 181 HB2 0.15 0.06 0.17 -0.04 2.09 2.43 2r5cA1 GLU 181 HB3 0.23 -0.04 0.14 -0.04 1.99 2.28 2r5cA1 GLU 181 HG2 0.03 0.07 -0.28 -0.04 2.34 2.11 2r5cA1 GLU 181 HG3 0.06 -0.01 0.01 -0.04 2.34 2.36 2r5cA1 LYS 182 H -0.13 -0.12 -0.88 -0.55 8.42 6.73 2r5cA1 LYS 182 HA -0.04 0.23 0.87 -0.75 4.32 4.64 2r5cA1 LYS 182 HB2 -0.11 -0.04 0.01 -0.04 1.87 1.69 2r5cA1 LYS 182 HB3 -0.08 0.03 0.12 -0.04 1.79 1.82 2r5cA1 LYS 182 HG2 -0.04 0.08 -0.02 -0.04 1.46 1.43 2r5cA1 LYS 182 HG3 -0.05 -0.11 -0.16 -0.04 1.46 1.11 2r5cA1 LYS 182 HD2 -0.05 0.06 0.02 -0.04 1.69 1.68 2r5cA1 LYS 182 HD3 -0.04 -0.03 -0.01 -0.04 1.68 1.56 2r5cA1 LYS 182 HE2 -0.07 -0.05 -0.03 -0.04 2.99 2.81 2r5cA1 LYS 182 HE3 -0.09 0.03 -0.02 -0.04 2.99 2.87 2r5cA1 THR 183 H -0.15 0.41 0.07 -0.55 8.28 8.07 2r5cA1 THR 183 HA -0.17 0.06 0.63 -0.75 4.39 4.15 2r5cA1 THR 183 HB -0.06 0.18 0.23 -0.04 4.32 4.63 2r5cA1 THR 183 HG23 -0.25 -0.01 -0.17 -0.04 1.22 0.74 2r5cA1 LYS 184 H -0.10 0.48 0.44 -0.55 8.42 8.68 2r5cA1 LYS 184 HA -0.02 0.19 0.79 -0.75 4.32 4.52 2r5cA1 LYS 184 HB2 -0.05 -0.05 0.13 -0.04 1.87 1.86 2r5cA1 LYS 184 HB3 -0.07 -0.02 0.06 -0.04 1.79 1.72 2r5cA1 LYS 184 HG2 -0.03 0.04 0.17 -0.04 1.46 1.59 2r5cA1 LYS 184 HG3 -0.04 -0.05 -0.04 -0.04 1.46 1.29 2r5cA1 LYS 184 HD2 -0.01 0.04 0.20 -0.04 1.69 1.88 2r5cA1 LYS 184 HD3 -0.01 -0.06 0.08 -0.04 1.68 1.64 2r5cA1 LYS 184 HE2 0.02 0.01 0.12 -0.04 2.99 3.10 2r5cA1 LYS 184 HE3 0.02 -0.07 0.08 -0.04 2.99 2.97 2r5cA1 MET 185 H -0.11 0.31 0.28 -0.55 8.47 8.40 2r5cA1 MET 185 HA -0.07 0.38 0.97 -0.75 4.52 5.04 2r5cA1 MET 185 HB2 -0.09 0.09 -0.32 -0.04 2.15 1.80 2r5cA1 MET 185 HB3 -0.12 -0.11 -0.04 -0.04 2.03 1.72 2r5cA1 MET 185 HG2 -0.13 -0.10 -0.32 -0.04 2.63 2.03 2r5cA1 MET 185 HG3 -0.12 0.12 -0.07 -0.04 2.56 2.45 2r5cA1 MET 185 HE3 -0.06 0.03 -0.26 -0.04 2.10 1.77 2r5cA1 ILE 186 H -0.05 0.66 0.35 -0.55 8.25 8.65 2r5cA1 ILE 186 HA -0.13 0.17 0.76 -0.75 4.18 4.23 2r5cA1 ILE 186 HB -0.01 0.04 0.01 -0.04 1.89 1.88 2r5cA1 ILE 186 HG12 0.00 -0.07 -0.31 -0.04 1.49 1.07 2r5cA1 ILE 186 HG13 -0.06 0.11 0.02 -0.04 1.21 1.24 2r5cA1 ILE 186 HG23 0.09 -0.01 -0.05 -0.04 0.93 0.93 2r5cA1 ILE 186 HD13 0.18 -0.02 -0.10 -0.04 0.88 0.90 2r5cA1 ILE 187 H -0.14 0.72 0.28 -0.55 8.25 8.55 2r5cA1 ILE 187 HA -0.18 0.29 1.20 -0.75 4.18 4.75 2r5cA1 ILE 187 HB -0.36 -0.05 0.18 -0.04 1.89 1.62 2r5cA1 ILE 187 HG12 -0.27 0.04 -0.11 -0.04 1.49 1.10 2r5cA1 ILE 187 HG13 -0.23 -0.00 -0.20 -0.04 1.21 0.73 2r5cA1 ILE 187 HG23 -0.74 -0.02 -0.09 -0.04 0.93 0.04 2r5cA1 ILE 187 HD13 -0.37 -0.01 -0.10 -0.04 0.88 0.36 2r5cA1 ILE 188 H -0.08 0.67 0.36 -0.55 8.25 8.65 2r5cA1 ILE 188 HA 0.04 0.16 0.95 -0.75 4.18 4.58 2r5cA1 ILE 188 HB 0.03 -0.04 -0.01 -0.04 1.89 1.83 2r5cA1 ILE 188 HG12 -0.03 0.10 -0.10 -0.04 1.49 1.41 2r5cA1 ILE 188 HG13 -0.03 -0.12 -0.02 -0.04 1.21 1.01 2r5cA1 ILE 188 HG23 0.02 0.02 -0.21 -0.04 0.93 0.72 2r5cA1 ILE 188 HD13 -0.01 -0.01 -0.11 -0.04 0.88 0.71 2r5cA1 ASN 189 H 0.12 0.27 0.10 -0.55 8.53 8.48 2r5cA1 ASN 189 HA 0.05 0.17 0.98 -0.75 4.76 5.21 2r5cA1 ASN 189 HB2 0.24 -0.00 -0.04 -0.04 2.88 3.03 2r5cA1 ASN 189 HB3 0.14 0.04 0.18 -0.04 2.79 3.11 2r5cA1 ASN 189 HD21 -0.03 -0.07 -0.02 -0.04 7.03 6.87 2r5cA1 ASN 189 HD22 0.00 0.38 0.26 -0.04 7.74 8.34 2r5cA1 THR 190 H 0.05 0.43 0.05 -0.55 8.28 8.27 2r5cA1 THR 190 HA 0.10 0.02 0.42 -0.75 4.39 4.17 2r5cA1 THR 190 HB 0.05 0.04 -0.22 -0.04 4.32 4.15 2r5cA1 THR 190 HG23 0.01 0.01 -0.07 -0.04 1.22 1.12 2r5cA1 PRO 191 HA 0.06 0.20 0.20 -0.51 4.44 4.39 2r5cA1 PRO 191 HB2 0.02 -0.05 -0.28 -0.04 2.28 1.93 2r5cA1 PRO 191 HB3 -0.04 0.08 -0.28 -0.04 2.02 1.74 2r5cA1 PRO 191 HG2 -0.02 0.18 -0.20 -0.04 2.03 1.94 2r5cA1 PRO 191 HG3 0.07 0.03 -0.14 -0.04 2.03 1.95 2r5cA1 PRO 191 HD2 0.05 -0.18 -0.20 -0.04 3.68 3.31 2r5cA1 PRO 191 HD3 0.21 0.17 0.03 -0.04 3.65 4.02 2r5cA1 HIS 192 H 0.08 0.16 -0.13 -0.55 8.41 7.98 2r5cA1 HIS 192 HA 0.02 0.20 0.12 -0.75 4.63 4.23 2r5cA1 HIS 192 HB2 -0.02 0.24 0.19 -0.04 3.26 3.64 2r5cA1 HIS 192 HB3 -0.08 -0.40 0.21 -0.04 3.20 2.89 2r5cA1 HIS 192 HD2 0.04 0.00 0.08 -0.04 6.97 7.04 2r5cA1 HIS 192 HE1 -0.18 0.01 -0.18 -0.04 7.75 7.36 2r5cA1 ASN 193 H -0.42 0.26 0.16 -0.55 8.53 7.99 2r5cA1 ASN 193 HA -0.11 0.12 0.72 -0.75 4.76 4.74 2r5cA1 ASN 193 HB2 0.16 0.02 -0.01 -0.04 2.88 3.00 2r5cA1 ASN 193 HB3 -0.12 -0.03 0.12 -0.04 2.79 2.71 2r5cA1 ASN 193 HD21 0.15 0.02 -0.06 -0.04 7.03 7.10 2r5cA1 ASN 193 HD22 0.20 -0.06 -0.03 -0.04 7.74 7.80 2r5cA1 PRO 194 HA -0.13 0.02 0.34 -0.51 4.44 4.16 2r5cA1 PRO 194 HB2 -0.18 0.06 -0.06 -0.04 2.28 2.05 2r5cA1 PRO 194 HB3 -0.49 0.01 -0.04 -0.04 2.02 1.45 2r5cA1 PRO 194 HG2 -0.15 0.05 -0.14 -0.04 2.03 1.75 2r5cA1 PRO 194 HG3 -0.27 0.03 -0.06 -0.04 2.03 1.69 2r5cA1 PRO 194 HD2 -0.07 0.09 0.03 -0.04 3.68 3.70 2r5cA1 PRO 194 HD3 -0.40 0.19 0.25 -0.04 3.65 3.64 2r5cA1 LEU 195 H 0.31 0.11 -0.23 -0.55 8.37 8.02 2r5cA1 LEU 195 HA -0.28 0.14 0.51 -0.75 4.35 3.96 2r5cA1 LEU 195 HB2 -0.26 -0.12 0.08 -0.04 1.64 1.30 2r5cA1 LEU 195 HB3 -0.60 0.03 0.04 -0.04 1.64 1.07 2r5cA1 LEU 195 HG -0.29 -0.00 -0.02 -0.04 1.64 1.28 2r5cA1 LEU 195 HD13 -0.52 0.03 -0.02 -0.04 0.93 0.38 2r5cA1 LEU 195 HD23 -1.51 0.01 -0.04 -0.04 0.89 -0.68 2r5cA1 GLY 196 H 0.03 0.39 0.02 -0.55 8.43 8.33 2r5cA1 GLY 196 HA2 -0.06 0.11 0.28 -0.51 4.01 3.82 2r5cA1 GLY 196 HA3 -0.02 0.24 0.87 -0.51 4.01 4.59 2r5cA1 LYS 197 H -0.06 0.05 -0.03 -0.55 8.42 7.82 2r5cA1 LYS 197 HA -0.10 0.02 0.28 -0.75 4.32 3.76 2r5cA1 LYS 197 HB2 -0.15 0.14 0.07 -0.04 1.87 1.89 2r5cA1 LYS 197 HB3 -0.12 -0.07 0.13 -0.04 1.79 1.69 2r5cA1 LYS 197 HG2 -0.03 -0.14 -0.54 -0.04 1.46 0.71 2r5cA1 LYS 197 HG3 -0.04 0.06 -0.15 -0.04 1.46 1.28 2r5cA1 LYS 197 HD2 -0.01 0.28 0.05 -0.04 1.69 1.97 2r5cA1 LYS 197 HD3 -0.09 -0.10 -0.04 -0.04 1.68 1.41 2r5cA1 LYS 197 HE2 0.02 -0.07 0.03 -0.04 2.99 2.93 2r5cA1 LYS 197 HE3 0.00 -0.18 -0.07 -0.04 2.99 2.71 2r5cA1 VAL 198 H -0.12 0.17 0.18 -0.55 8.24 7.92 2r5cA1 VAL 198 HA 0.01 0.09 1.07 -0.75 4.13 4.54 2r5cA1 VAL 198 HB 0.03 0.03 -0.04 -0.04 2.12 2.10 2r5cA1 VAL 198 HG13 -0.03 -0.00 -0.17 -0.04 0.97 0.72 2r5cA1 VAL 198 HG23 -0.01 0.01 -0.11 -0.04 0.95 0.80 2r5cA1 MET 199 H 0.00 0.12 0.06 -0.55 8.47 8.11 2r5cA1 MET 199 HA 0.00 0.02 0.39 -0.75 4.52 4.17 2r5cA1 MET 199 HB2 -0.01 0.01 0.09 -0.04 2.15 2.20 2r5cA1 MET 199 HB3 0.00 -0.03 -0.02 -0.04 2.03 1.94 2r5cA1 MET 199 HG2 0.02 -0.00 -0.04 -0.04 2.63 2.57 2r5cA1 MET 199 HG3 0.01 0.02 -0.06 -0.04 2.56 2.49 2r5cA1 MET 199 HE3 0.02 -0.01 -0.15 -0.04 2.10 1.92 2r5cA1 ASP 200 H 0.02 0.05 0.24 -0.55 8.40 8.16 2r5cA1 ASP 200 HA 0.03 0.29 0.70 -0.75 4.63 4.90 2r5cA1 ASP 200 HB2 0.05 -0.04 0.22 -0.04 2.71 2.90 2r5cA1 ASP 200 HB3 0.06 0.16 0.16 -0.04 2.70 3.04 2r5cA1 ARG 201 H 0.03 0.23 0.17 -0.55 8.46 8.34 2r5cA1 ARG 201 HA 0.00 0.13 0.06 -0.75 4.34 3.79 2r5cA1 ARG 201 HB2 0.01 0.08 0.10 -0.04 1.90 2.06 2r5cA1 ARG 201 HB3 0.02 0.00 0.11 -0.04 1.80 1.89 2r5cA1 ARG 201 HG2 0.01 -0.02 -0.15 -0.04 1.67 1.46 2r5cA1 ARG 201 HG3 0.01 0.01 0.04 -0.04 1.67 1.68 2r5cA1 ARG 201 HD2 0.01 0.00 -0.01 -0.04 3.22 3.18 2r5cA1 ARG 201 HD3 0.01 0.03 -0.02 -0.04 3.22 3.19 2r5cA1 ALA 202 H 0.02 0.06 -0.21 -0.55 8.40 7.73 2r5cA1 ALA 202 HA 0.01 0.15 0.44 -0.75 4.34 4.19 2r5cA1 ALA 202 HB3 0.02 0.03 0.04 -0.04 1.41 1.46 2r5cA1 GLU 203 H 0.02 0.10 -0.18 -0.55 8.60 7.99 2r5cA1 GLU 203 HA 0.02 0.11 0.60 -0.75 4.29 4.27 2r5cA1 GLU 203 HB2 0.02 -0.00 0.13 -0.04 2.09 2.20 2r5cA1 GLU 203 HB3 0.02 0.05 -0.01 -0.04 1.99 2.01 2r5cA1 GLU 203 HG2 0.03 0.05 0.05 -0.04 2.34 2.42 2r5cA1 GLU 203 HG3 0.02 -0.06 0.02 -0.04 2.34 2.29 2r5cA1 LEU 204 H 0.00 0.50 -0.13 -0.55 8.37 8.20 2r5cA1 LEU 204 HA 0.00 0.03 0.48 -0.75 4.35 4.11 2r5cA1 LEU 204 HB2 -0.01 0.10 -0.01 -0.04 1.64 1.69 2r5cA1 LEU 204 HB3 -0.01 -0.01 -0.09 -0.04 1.64 1.50 2r5cA1 LEU 204 HG -0.02 0.00 -0.15 -0.04 1.64 1.44 2r5cA1 LEU 204 HD13 -0.05 0.01 -0.22 -0.04 0.93 0.63 2r5cA1 LEU 204 HD23 -0.02 -0.03 -0.05 -0.04 0.89 0.75 2r5cA1 GLU 205 H 0.00 0.49 -0.23 -0.55 8.60 8.32 2r5cA1 GLU 205 HA -0.01 0.04 0.44 -0.75 4.29 4.01 2r5cA1 GLU 205 HB2 0.00 -0.01 0.27 -0.04 2.09 2.32 2r5cA1 GLU 205 HB3 -0.00 -0.01 -0.03 -0.04 1.99 1.91 2r5cA1 GLU 205 HG2 -0.00 -0.01 0.03 -0.04 2.34 2.32 2r5cA1 GLU 205 HG3 0.00 -0.01 0.04 -0.04 2.34 2.33 2r5cA1 VAL 206 H 0.00 0.60 -0.14 -0.55 8.24 8.16 2r5cA1 VAL 206 HA -0.01 0.02 0.54 -0.75 4.13 3.93 2r5cA1 VAL 206 HB 0.02 0.10 0.19 -0.04 2.12 2.39 2r5cA1 VAL 206 HG13 0.02 -0.02 -0.16 -0.04 0.97 0.77 2r5cA1 VAL 206 HG23 0.01 0.06 0.09 -0.04 0.95 1.07 2r5cA1 VAL 207 H 0.01 0.50 -0.19 -0.55 8.24 8.01 2r5cA1 VAL 207 HA -0.01 0.04 0.37 -0.75 4.13 3.77 2r5cA1 VAL 207 HB 0.01 0.06 0.10 -0.04 2.12 2.25 2r5cA1 VAL 207 HG13 0.05 -0.00 -0.14 -0.04 0.97 0.83 2r5cA1 VAL 207 HG23 0.05 0.02 -0.03 -0.04 0.95 0.96 2r5cA1 ALA 208 H -0.01 0.64 -0.14 -0.55 8.40 8.34 2r5cA1 ALA 208 HA -0.02 0.03 0.37 -0.75 4.34 3.96 2r5cA1 ALA 208 HB3 -0.01 0.02 0.07 -0.04 1.41 1.44 2r5cA1 ASN 209 H -0.04 0.58 -0.17 -0.55 8.53 8.35 2r5cA1 ASN 209 HA -0.06 0.02 0.37 -0.75 4.76 4.34 2r5cA1 ASN 209 HB2 -0.05 0.09 0.10 -0.04 2.88 2.99 2r5cA1 ASN 209 HB3 -0.06 -0.06 0.03 -0.04 2.79 2.67 2r5cA1 ASN 209 HD21 -0.02 -0.10 -0.06 -0.04 7.03 6.81 2r5cA1 ASN 209 HD22 -0.02 -0.04 -0.05 -0.04 7.74 7.58 2r5cA1 LEU 210 H -0.13 0.36 -0.26 -0.55 8.37 7.79 2r5cA1 LEU 210 HA -0.14 0.04 0.62 -0.75 4.35 4.12 2r5cA1 LEU 210 HB2 -0.33 0.11 0.15 -0.04 1.64 1.53 2r5cA1 LEU 210 HB3 -1.28 0.01 -0.09 -0.04 1.64 0.24 2r5cA1 LEU 210 HG -0.71 0.02 -0.04 -0.04 1.64 0.87 2r5cA1 LEU 210 HD13 0.10 -0.01 0.04 -0.04 0.93 1.03 2r5cA1 LEU 210 HD23 -0.05 -0.03 -0.05 -0.04 0.89 0.72 2r5cA1 CYS 211 H -0.12 0.56 -0.11 -0.55 8.50 8.28 2r5cA1 CYS 211 HA 0.05 -0.01 0.50 -0.75 4.58 4.37 2r5cA1 CYS 211 HB2 -0.02 0.09 0.14 -0.04 2.97 3.14 2r5cA1 CYS 211 HB3 0.00 0.15 0.00 -0.04 2.97 3.08 2r5cA1 LYS 212 H -0.06 0.45 -0.16 -0.55 8.42 8.10 2r5cA1 LYS 212 HA -0.03 0.08 0.53 -0.75 4.32 4.14 2r5cA1 LYS 212 HB2 -0.07 0.04 0.12 -0.04 1.87 1.92 2r5cA1 LYS 212 HB3 -0.06 -0.05 -0.04 -0.04 1.79 1.59 2r5cA1 LYS 212 HG2 -0.02 -0.01 -0.02 -0.04 1.46 1.37 2r5cA1 LYS 212 HG3 -0.03 0.12 -0.01 -0.04 1.46 1.50 2r5cA1 LYS 212 HD2 -0.04 -0.05 -0.05 -0.04 1.69 1.51 2r5cA1 LYS 212 HD3 -0.02 -0.08 -0.05 -0.04 1.68 1.48 2r5cA1 LYS 212 HE2 -0.01 0.35 0.01 -0.04 2.99 3.30 2r5cA1 LYS 212 HE3 -0.02 -0.00 -0.21 -0.04 2.99 2.71 2r5cA1 LYS 213 H -0.15 0.40 -0.14 -0.55 8.42 7.97 2r5cA1 LYS 213 HA -0.30 -0.02 0.47 -0.75 4.32 3.72 2r5cA1 LYS 213 HB2 -0.31 0.12 0.20 -0.04 1.87 1.84 2r5cA1 LYS 213 HB3 -0.66 0.10 0.13 -0.04 1.79 1.32 2r5cA1 LYS 213 HG2 -1.32 0.00 -0.11 -0.04 1.46 -0.00 2r5cA1 LYS 213 HG3 -0.49 -0.06 0.05 -0.04 1.46 0.91 2r5cA1 LYS 213 HD2 -0.27 -0.05 0.01 -0.04 1.69 1.33 2r5cA1 LYS 213 HD3 -0.36 0.03 0.01 -0.04 1.68 1.32 2r5cA1 LYS 213 HE2 -0.61 0.04 -0.04 -0.04 2.99 2.34 2r5cA1 LYS 213 HE3 -0.55 -0.03 -0.02 -0.04 2.99 2.34 2r5cA1 TRP 214 H 0.08 0.41 -0.26 -0.55 7.97 7.65 2r5cA1 TRP 214 HA 0.00 0.11 0.26 -0.75 4.62 4.24 2r5cA1 TRP 214 HB2 0.06 0.08 0.03 -0.04 3.23 3.36 2r5cA1 TRP 214 HB3 0.12 0.06 0.01 -0.04 3.23 3.38 2r5cA1 TRP 214 HD1 -0.34 0.11 0.07 -0.04 7.22 7.02 2r5cA1 TRP 214 HE1 -0.02 -0.02 -0.00 -0.04 10.20 10.11 2r5cA1 TRP 214 HE3 0.03 0.10 -0.25 -0.04 7.59 7.43 2r5cA1 TRP 214 HZ2 0.03 -0.01 -0.03 -0.04 7.44 7.39 2r5cA1 TRP 214 HZ3 0.02 -0.06 -0.07 -0.04 7.13 6.98 2r5cA1 TRP 214 HH2 0.02 -0.05 -0.01 -0.04 7.19 7.11 2r5cA1 ASN 215 H 0.06 0.25 -0.42 -0.55 8.53 7.88 2r5cA1 ASN 215 HA 0.03 0.01 0.30 -0.75 4.76 4.35 2r5cA1 ASN 215 HB2 0.03 -0.03 -0.06 -0.04 2.88 2.78 2r5cA1 ASN 215 HB3 0.08 0.14 0.21 -0.04 2.79 3.18 2r5cA1 ASN 215 HD21 0.01 -0.07 0.04 -0.04 7.03 6.96 2r5cA1 ASN 215 HD22 0.03 0.00 0.06 -0.04 7.74 7.79 2r5cA1 VAL 216 H 0.11 0.34 0.02 -0.55 8.24 8.16 2r5cA1 VAL 216 HA 0.06 0.37 0.87 -0.75 4.13 4.67 2r5cA1 VAL 216 HB 0.22 -0.15 -0.07 -0.04 2.12 2.08 2r5cA1 VAL 216 HG13 0.10 0.00 -0.55 -0.04 0.97 0.48 2r5cA1 VAL 216 HG23 0.34 0.05 -0.31 -0.04 0.95 0.99 2r5cA1 LEU 217 H -0.04 0.56 0.25 -0.55 8.37 8.59 2r5cA1 LEU 217 HA -0.10 0.22 0.94 -0.75 4.35 4.64 2r5cA1 LEU 217 HB2 -0.20 0.01 0.11 -0.04 1.64 1.51 2r5cA1 LEU 217 HB3 -0.15 0.11 0.23 -0.04 1.64 1.78 2r5cA1 LEU 217 HG -0.20 -0.10 -0.42 -0.04 1.64 0.89 2r5cA1 LEU 217 HD13 -0.28 0.03 -0.25 -0.04 0.93 0.39 2r5cA1 LEU 217 HD23 -0.48 -0.01 -0.08 -0.04 0.89 0.27 2r5cA1 CYS 218 H -0.09 0.72 0.36 -0.55 8.50 8.94 2r5cA1 CYS 218 HA -0.06 0.13 1.07 -0.75 4.58 4.96 2r5cA1 CYS 218 HB2 -0.03 0.05 0.07 -0.04 2.97 3.02 2r5cA1 CYS 218 HB3 -0.08 -0.01 0.16 -0.04 2.97 3.00 2r5cA1 VAL 219 H -0.11 0.88 0.40 -0.55 8.24 8.86 2r5cA1 VAL 219 HA -0.15 0.19 1.04 -0.75 4.13 4.45 2r5cA1 VAL 219 HB -0.17 -0.03 0.15 -0.04 2.12 2.03 2r5cA1 VAL 219 HG13 -0.15 -0.03 -0.18 -0.04 0.97 0.57 2r5cA1 VAL 219 HG23 -0.14 0.03 -0.19 -0.04 0.95 0.61 2r5cA1 SER 220 H -0.15 0.74 0.32 -0.55 8.46 8.82 2r5cA1 SER 220 HA -0.07 0.27 0.90 -0.75 4.49 4.83 2r5cA1 SER 220 HB2 -0.07 0.03 -0.12 -0.04 3.95 3.74 2r5cA1 SER 220 HB3 -0.11 -0.04 0.12 -0.04 3.93 3.86 2r5cA1 ASP 221 H -0.06 0.78 0.42 -0.55 8.40 9.00 2r5cA1 ASP 221 HA -0.11 0.04 0.81 -0.75 4.63 4.63 2r5cA1 ASP 221 HB2 -0.02 0.07 0.10 -0.04 2.71 2.82 2r5cA1 ASP 221 HB3 0.04 0.00 0.30 -0.04 2.70 3.00 2r5cA1 GLU 222 H -0.08 0.52 0.31 -0.55 8.60 8.80 2r5cA1 GLU 222 HA 0.01 0.40 0.89 -0.75 4.29 4.83 2r5cA1 GLU 222 HB2 0.02 0.07 0.15 -0.04 2.09 2.28 2r5cA1 GLU 222 HB3 0.05 -0.05 0.22 -0.04 1.99 2.17 2r5cA1 GLU 222 HG2 0.16 0.22 -0.07 -0.04 2.34 2.60 2r5cA1 GLU 222 HG3 0.01 -0.07 -0.31 -0.04 2.34 1.93 2r5cA1 VAL 223 H -0.23 0.12 -0.39 -0.55 8.24 7.20 2r5cA1 VAL 223 HA -0.24 -0.01 0.43 -0.75 4.13 3.56 2r5cA1 VAL 223 HB -0.49 -0.00 0.02 -0.04 2.12 1.61 2r5cA1 VAL 223 HG13 -0.33 -0.03 -0.12 -0.04 0.97 0.45 2r5cA1 VAL 223 HG23 -0.99 0.03 -0.13 -0.04 0.95 -0.18 2r5cA1 TYR 224 H -0.25 0.20 -0.33 -0.55 8.29 7.36 2r5cA1 TYR 224 HA -0.17 0.21 0.79 -0.75 4.56 4.64 2r5cA1 TYR 224 HB2 -0.19 0.07 -0.09 -0.04 3.06 2.82 2r5cA1 TYR 224 HB3 -0.27 -0.05 0.08 -0.04 2.98 2.70 2r5cA1 TYR 224 HD2 -0.27 0.15 -0.16 -0.04 7.15 6.82 2r5cA1 TYR 224 HE2 -0.28 0.02 -0.12 -0.04 6.85 6.43 2r5cA1 GLU 225 H -0.25 0.48 -0.48 -0.55 8.60 7.81 2r5cA1 GLU 225 HA -0.73 0.02 0.34 -0.75 4.29 3.17 2r5cA1 GLU 225 HB2 -0.75 -0.02 0.01 -0.04 2.09 1.29 2r5cA1 GLU 225 HB3 -0.50 0.10 0.17 -0.04 1.99 1.72 2r5cA1 GLU 225 HG2 -0.38 0.00 0.06 -0.04 2.34 1.98 2r5cA1 GLU 225 HG3 -1.45 -0.00 -0.09 -0.04 2.34 0.75 2r5cA1 HIS 226 H -0.19 0.09 -0.40 -0.55 8.41 7.36 2r5cA1 HIS 226 HA -0.12 0.21 0.66 -0.75 4.63 4.63 2r5cA1 HIS 226 HB2 -0.10 0.00 0.02 -0.04 3.26 3.14 2r5cA1 HIS 226 HB3 -0.05 0.14 0.24 -0.04 3.20 3.49 2r5cA1 HIS 226 HD2 -0.13 0.05 0.06 -0.04 6.97 6.90 2r5cA1 HIS 226 HE1 -0.63 0.01 -0.05 -0.04 7.75 7.03 2r5cA1 MET 227 H -0.11 0.49 -0.25 -0.55 8.47 8.06 2r5cA1 MET 227 HA -0.18 0.31 1.02 -0.75 4.52 4.91 2r5cA1 MET 227 HB2 -0.28 -0.18 0.19 -0.04 2.15 1.84 2r5cA1 MET 227 HB3 -0.33 0.07 0.11 -0.04 2.03 1.84 2r5cA1 MET 227 HG2 -0.10 0.09 -0.21 -0.04 2.63 2.37 2r5cA1 MET 227 HG3 -0.03 -0.07 -0.08 -0.04 2.56 2.33 2r5cA1 MET 227 HE3 0.21 0.01 -0.10 -0.04 2.10 2.17 2r5cA1 VAL 228 H -0.11 0.20 -0.27 -0.55 8.24 7.51 2r5cA1 VAL 228 HA -0.22 0.06 0.89 -0.75 4.13 4.11 2r5cA1 VAL 228 HB 0.04 0.01 0.01 -0.04 2.12 2.14 2r5cA1 VAL 228 HG13 0.13 0.03 -0.35 -0.04 0.97 0.74 2r5cA1 VAL 228 HG23 0.04 -0.01 -0.09 -0.04 0.95 0.85 2r5cA1 PHE 229 H -0.01 0.70 0.37 -0.55 8.34 8.84 2r5cA1 PHE 229 HA 0.08 0.00 0.63 -0.75 4.62 4.57 2r5cA1 PHE 229 HB2 0.17 0.07 0.10 -0.04 3.15 3.45 2r5cA1 PHE 229 HB3 0.10 0.03 0.05 -0.04 3.06 3.21 2r5cA1 PHE 229 HD2 0.06 0.01 -0.27 -0.04 7.28 7.04 2r5cA1 PHE 229 HE2 0.12 0.04 -0.08 -0.04 7.38 7.42 2r5cA1 PHE 229 HZ 0.24 0.05 -0.06 -0.04 7.32 7.51 2r5cA1 GLU 230 H 0.19 0.08 0.15 -0.55 8.60 8.47 2r5cA1 GLU 230 HA 0.05 0.10 0.72 -0.75 4.29 4.41 2r5cA1 GLU 230 HB2 0.06 -0.03 0.08 -0.04 2.09 2.16 2r5cA1 GLU 230 HB3 0.01 0.01 -0.02 -0.04 1.99 1.96 2r5cA1 GLU 230 HG2 0.09 -0.00 0.14 -0.04 2.34 2.52 2r5cA1 GLU 230 HG3 0.05 -0.02 0.06 -0.04 2.34 2.39 2r5cA1 PRO 231 HA -0.05 0.04 0.39 -0.51 4.44 4.31 2r5cA1 PRO 231 HB2 -0.17 0.01 0.17 -0.04 2.28 2.24 2r5cA1 PRO 231 HB3 -0.11 0.00 0.08 -0.04 2.02 1.95 2r5cA1 PRO 231 HG2 -0.58 -0.01 -0.02 -0.04 2.03 1.38 2r5cA1 PRO 231 HG3 -0.23 0.01 0.06 -0.04 2.03 1.82 2r5cA1 PRO 231 HD2 -0.95 0.04 0.08 -0.04 3.68 2.81 2r5cA1 PRO 231 HD3 -0.19 0.14 0.45 -0.04 3.65 4.01 2r5cA1 PHE 232 H 0.07 0.58 0.25 -0.55 8.34 8.68 2r5cA1 PHE 232 HA 0.05 -0.00 0.51 -0.75 4.62 4.42 2r5cA1 PHE 232 HB2 0.08 0.25 0.15 -0.04 3.15 3.59 2r5cA1 PHE 232 HB3 0.05 -0.11 0.12 -0.04 3.06 3.08 2r5cA1 PHE 232 HD2 0.08 0.10 0.02 -0.04 7.28 7.45 2r5cA1 PHE 232 HE2 0.06 0.01 -0.01 -0.04 7.38 7.40 2r5cA1 PHE 232 HZ 0.05 -0.03 0.00 -0.04 7.32 7.30 2r5cA1 GLU 233 H 0.21 0.17 0.15 -0.55 8.60 8.58 2r5cA1 GLU 233 HA 0.11 0.17 0.73 -0.75 4.29 4.55 2r5cA1 GLU 233 HB2 0.07 0.08 -0.16 -0.04 2.09 2.03 2r5cA1 GLU 233 HB3 0.07 -0.09 -0.02 -0.04 1.99 1.91 2r5cA1 GLU 233 HG2 0.07 0.16 -0.33 -0.04 2.34 2.20 2r5cA1 GLU 233 HG3 0.07 0.01 0.02 -0.04 2.34 2.41 2r5cA1 HIS 234 H 0.15 0.20 0.10 -0.55 8.41 8.32 2r5cA1 HIS 234 HA 0.02 0.01 0.52 -0.75 4.63 4.43 2r5cA1 HIS 234 HB2 -0.01 0.00 0.10 -0.04 3.26 3.31 2r5cA1 HIS 234 HB3 -0.00 0.06 0.16 -0.04 3.20 3.37 2r5cA1 HIS 234 HD2 0.02 -0.01 -0.24 -0.04 6.97 6.69 2r5cA1 HIS 234 HE1 -0.02 0.21 0.02 -0.04 7.75 7.92 2r5cA1 ILE 235 H -0.33 0.20 0.16 -0.55 8.25 7.74 2r5cA1 ILE 235 HA -0.05 0.22 0.91 -0.75 4.18 4.50 2r5cA1 ILE 235 HB -0.08 -0.01 0.01 -0.04 1.89 1.77 2r5cA1 ILE 235 HG12 0.01 0.07 -0.14 -0.04 1.49 1.38 2r5cA1 ILE 235 HG13 -0.01 0.09 -0.41 -0.04 1.21 0.85 2r5cA1 ILE 235 HG23 -0.02 -0.01 -0.25 -0.04 0.93 0.61 2r5cA1 ILE 235 HD13 0.01 -0.02 -0.04 -0.04 0.88 0.78 2r5cA1 ARG 236 H 0.01 0.24 0.07 -0.55 8.46 8.23 2r5cA1 ARG 236 HA -0.06 0.11 0.60 -0.75 4.34 4.24 2r5cA1 ARG 236 HB2 0.13 0.10 0.07 -0.04 1.90 2.15 2r5cA1 ARG 236 HB3 0.15 -0.09 -0.03 -0.04 1.80 1.79 2r5cA1 ARG 236 HG2 0.36 -0.00 -0.10 -0.04 1.67 1.89 2r5cA1 ARG 236 HG3 0.23 0.00 -0.14 -0.04 1.67 1.72 2r5cA1 ARG 236 HD2 0.22 0.13 -0.14 -0.04 3.22 3.39 2r5cA1 ARG 236 HD3 0.33 -0.03 -0.12 -0.04 3.22 3.36 2r5cA1 ILE 237 H -0.02 0.19 0.14 -0.55 8.25 8.01 2r5cA1 ILE 237 HA 0.01 0.10 0.46 -0.75 4.18 3.99 2r5cA1 ILE 237 HB -0.02 0.00 0.07 -0.04 1.89 1.90 2r5cA1 ILE 237 HG12 -0.01 0.05 -0.02 -0.04 1.49 1.47 2r5cA1 ILE 237 HG13 -0.01 -0.02 0.01 -0.04 1.21 1.15 2r5cA1 ILE 237 HG23 -0.03 0.01 -0.13 -0.04 0.93 0.74 2r5cA1 ILE 237 HD13 -0.01 0.01 -0.06 -0.04 0.88 0.78 2r5cA1 CYS 238 H 0.06 0.05 -0.28 -0.55 8.50 7.79 2r5cA1 CYS 238 HA 0.09 0.11 0.17 -0.75 4.58 4.20 2r5cA1 CYS 238 HB2 0.39 0.05 0.03 -0.04 2.97 3.40 2r5cA1 CYS 238 HB3 0.01 -0.00 -0.04 -0.04 2.97 2.90 2r5cA1 THR 239 H 0.09 0.18 -0.73 -0.55 8.28 7.28 2r5cA1 THR 239 HA 0.12 0.20 0.75 -0.75 4.39 4.70 2r5cA1 THR 239 HB 0.05 0.01 0.04 -0.04 4.32 4.38 2r5cA1 THR 239 HG23 0.10 -0.01 -0.01 -0.04 1.22 1.26 2r5cA1 LEU 240 H 0.05 0.15 -0.16 -0.55 8.37 7.86 2r5cA1 LEU 240 HA 0.03 0.07 0.47 -0.75 4.35 4.16 2r5cA1 LEU 240 HB2 0.02 0.12 0.08 -0.04 1.64 1.82 2r5cA1 LEU 240 HB3 0.01 0.06 -0.00 -0.04 1.64 1.67 2r5cA1 LEU 240 HG 0.02 -0.03 -0.03 -0.04 1.64 1.56 2r5cA1 LEU 240 HD13 0.00 -0.02 -0.13 -0.04 0.93 0.74 2r5cA1 LEU 240 HD23 0.01 0.00 0.00 -0.04 0.89 0.86 2r5cA1 PRO 241 HA 0.03 0.01 0.42 -0.51 4.44 4.40 2r5cA1 PRO 241 HB2 0.00 0.02 0.05 -0.04 2.28 2.32 2r5cA1 PRO 241 HB3 0.01 0.02 0.03 -0.04 2.02 2.04 2r5cA1 PRO 241 HG2 0.00 0.02 0.08 -0.04 2.03 2.09 2r5cA1 PRO 241 HG3 0.01 0.07 0.10 -0.04 2.03 2.17 2r5cA1 PRO 241 HD2 0.01 0.08 0.17 -0.04 3.68 3.90 2r5cA1 PRO 241 HD3 0.02 0.15 0.23 -0.04 3.65 4.00 2r5cA1 GLY 242 H 0.04 0.12 0.15 -0.55 8.43 8.19 2r5cA1 GLY 242 HA2 0.05 -0.03 0.34 -0.51 4.01 3.85 2r5cA1 GLY 242 HA3 0.02 0.11 0.46 -0.51 4.01 4.09 2r5cA1 MET 243 H 0.07 0.40 -0.50 -0.55 8.47 7.89 2r5cA1 MET 243 HA 0.01 0.15 0.33 -0.75 4.52 4.26 2r5cA1 MET 243 HB2 0.06 0.20 -0.05 -0.04 2.15 2.33 2r5cA1 MET 243 HB3 0.01 -0.09 -0.10 -0.04 2.03 1.81 2r5cA1 MET 243 HG2 0.01 0.16 -0.28 -0.04 2.63 2.48 2r5cA1 MET 243 HG3 0.01 -0.08 -0.07 -0.04 2.56 2.38 2r5cA1 MET 243 HE3 -0.02 -0.01 -0.10 -0.04 2.10 1.92 2r5cA1 TRP 244 H 0.25 0.18 -0.04 -0.55 7.97 7.82 2r5cA1 TRP 244 HA -0.01 0.04 0.39 -0.75 4.62 4.29 2r5cA1 TRP 244 HB2 0.01 0.20 0.15 -0.04 3.23 3.55 2r5cA1 TRP 244 HB3 -0.00 -0.07 0.09 -0.04 3.23 3.20 2r5cA1 TRP 244 HD1 0.00 -0.02 -0.11 -0.04 7.22 7.05 2r5cA1 TRP 244 HE1 0.01 -0.09 -0.05 -0.04 10.20 10.03 2r5cA1 TRP 244 HE3 0.05 0.10 0.01 -0.04 7.59 7.71 2r5cA1 TRP 244 HZ2 0.04 -0.00 -0.23 -0.04 7.44 7.21 2r5cA1 TRP 244 HZ3 0.25 -0.03 -0.12 -0.04 7.13 7.18 2r5cA1 TRP 244 HH2 0.15 -0.02 -0.13 -0.04 7.19 7.15 2r5cA1 GLU 245 H 0.10 0.11 -0.40 -0.55 8.60 7.87 2r5cA1 GLU 245 HA -0.13 -0.04 0.25 -0.75 4.29 3.62 2r5cA1 GLU 245 HB2 0.02 0.15 0.01 -0.04 2.09 2.22 2r5cA1 GLU 245 HB3 -0.01 0.01 0.09 -0.04 1.99 2.04 2r5cA1 GLU 245 HG2 0.07 0.02 0.02 -0.04 2.34 2.41 2r5cA1 GLU 245 HG3 0.14 -0.06 0.01 -0.04 2.34 2.39 2r5cA1 ARG 246 H -0.11 0.71 -0.45 -0.55 8.46 8.05 2r5cA1 ARG 246 HA -0.16 0.18 1.02 -0.75 4.34 4.62 2r5cA1 ARG 246 HB2 -0.08 0.08 0.16 -0.04 1.90 2.03 2r5cA1 ARG 246 HB3 -0.06 -0.03 -0.21 -0.04 1.80 1.46 2r5cA1 ARG 246 HG2 -0.04 0.04 0.06 -0.04 1.67 1.69 2r5cA1 ARG 246 HG3 -0.05 -0.10 0.02 -0.04 1.67 1.50 2r5cA1 ARG 246 HD2 -0.02 0.05 -0.10 -0.04 3.22 3.11 2r5cA1 ARG 246 HD3 -0.02 -0.09 -0.20 -0.04 3.22 2.87 2r5cA1 THR 247 H -0.31 0.37 0.04 -0.55 8.28 7.84 2r5cA1 THR 247 HA -0.19 0.40 1.04 -0.75 4.39 4.89 2r5cA1 THR 247 HB -0.20 -0.06 -0.02 -0.04 4.32 4.00 2r5cA1 THR 247 HG23 -0.16 -0.06 -0.21 -0.04 1.22 0.75 2r5cA1 ILE 248 H -0.22 0.51 0.29 -0.55 8.25 8.27 2r5cA1 ILE 248 HA -0.33 0.27 0.71 -0.75 4.18 4.07 2r5cA1 ILE 248 HB -0.18 -0.05 0.11 -0.04 1.89 1.72 2r5cA1 ILE 248 HG12 -0.21 0.02 -0.16 -0.04 1.49 1.10 2r5cA1 ILE 248 HG13 -0.25 0.00 -0.32 -0.04 1.21 0.59 2r5cA1 ILE 248 HG23 -0.15 -0.02 -0.23 -0.04 0.93 0.49 2r5cA1 ILE 248 HD13 -0.14 0.00 -0.15 -0.04 0.88 0.56 2r5cA1 THR 249 H -0.55 0.69 0.26 -0.55 8.28 8.14 2r5cA1 THR 249 HA -0.26 0.18 0.96 -0.75 4.39 4.52 2r5cA1 THR 249 HB -1.52 -0.00 0.11 -0.04 4.32 2.87 2r5cA1 THR 249 HG23 -0.15 -0.01 -0.05 -0.04 1.22 0.96 2r5cA1 ILE 250 H -0.17 0.71 0.46 -0.55 8.25 8.70 2r5cA1 ILE 250 HA -0.12 0.33 1.09 -0.75 4.18 4.73 2r5cA1 ILE 250 HB -0.14 -0.05 0.11 -0.04 1.89 1.77 2r5cA1 ILE 250 HG12 -0.11 0.04 -0.12 -0.04 1.49 1.26 2r5cA1 ILE 250 HG13 -0.15 -0.02 -0.47 -0.04 1.21 0.53 2r5cA1 ILE 250 HG23 -0.18 0.00 -0.02 -0.04 0.93 0.69 2r5cA1 ILE 250 HD13 -0.10 0.00 -0.26 -0.04 0.88 0.48 2r5cA1 GLY 251 H -0.38 0.48 0.34 -0.55 8.43 8.32 2r5cA1 GLY 251 HA2 -0.18 0.17 0.70 -0.51 4.01 4.20 2r5cA1 GLY 251 HA3 0.07 0.08 0.30 -0.51 4.01 3.95 2r5cA1 SER 252 H -0.25 0.39 0.21 -0.55 8.46 8.27 2r5cA1 SER 252 HA -0.83 0.08 1.07 -0.75 4.49 4.05 2r5cA1 SER 252 HB2 -0.30 -0.10 -0.03 -0.04 3.95 3.47 2r5cA1 SER 252 HB3 -0.27 0.13 0.09 -0.04 3.93 3.84 2r5cA1 ALA 253 H -0.33 0.55 0.36 -0.55 8.40 8.43 2r5cA1 ALA 253 HA 0.58 0.12 0.59 -0.75 4.34 4.87 2r5cA1 ALA 253 HB3 0.57 0.00 0.04 -0.04 1.41 1.99 2r5cA1 GLY 254 H 0.02 0.03 -0.18 -0.55 8.43 7.75 2r5cA1 GLY 254 HA2 0.02 0.16 -0.02 -0.51 4.01 3.66 2r5cA1 GLY 254 HA3 0.03 0.00 0.13 -0.51 4.01 3.67 2r5cA1 THR 256 HA 0.11 -0.04 0.28 -0.75 4.39 3.99 2r5cA1 THR 256 HB 0.15 -0.09 0.18 -0.04 4.32 4.53 2r5cA1 THR 256 HG23 -0.59 -0.01 -0.09 -0.04 1.22 0.50 2r5cA1 PHE 257 H 0.18 0.47 -0.32 -0.55 8.34 8.12 2r5cA1 PHE 257 HA 0.10 0.13 0.58 -0.75 4.62 4.68 2r5cA1 PHE 257 HB2 -0.16 0.13 0.03 -0.04 3.15 3.11 2r5cA1 PHE 257 HB3 -0.31 -0.06 0.08 -0.04 3.06 2.73 2r5cA1 PHE 257 HD2 -0.03 0.02 0.01 -0.04 7.28 7.23 2r5cA1 PHE 257 HE2 -0.42 0.02 -0.10 -0.04 7.38 6.84 2r5cA1 PHE 257 HZ -1.07 -0.00 -0.27 -0.04 7.32 5.94 2r5cA1 SER 258 H 0.15 0.19 0.16 -0.55 8.46 8.42 2r5cA1 SER 258 HA 0.14 0.09 0.42 -0.75 4.49 4.39 2r5cA1 SER 258 HB2 0.09 0.14 -0.06 -0.04 3.95 4.08 2r5cA1 SER 258 HB3 0.03 -0.02 0.23 -0.04 3.93 4.13 2r5cA1 LEU 259 H -0.11 0.19 -0.18 -0.55 8.37 7.73 2r5cA1 LEU 259 HA -0.40 0.19 0.80 -0.75 4.35 4.19 2r5cA1 LEU 259 HB2 -0.76 -0.02 0.01 -0.04 1.64 0.83 2r5cA1 LEU 259 HB3 -1.75 -0.06 0.06 -0.04 1.64 -0.15 2r5cA1 LEU 259 HG -0.54 0.29 -0.40 -0.04 1.64 0.95 2r5cA1 LEU 259 HD13 -1.65 -0.02 -0.12 -0.04 0.93 -0.90 2r5cA1 LEU 259 HD23 -0.71 0.01 -0.01 -0.04 0.89 0.14 2r5cA1 THR 260 H -0.15 0.34 -0.08 -0.55 8.28 7.83 2r5cA1 THR 260 HA -0.01 -0.10 0.39 -0.75 4.39 3.92 2r5cA1 THR 260 HB 0.01 -0.05 0.11 -0.04 4.32 4.35 2r5cA1 THR 260 HG23 0.06 0.06 0.05 -0.04 1.22 1.35 2r5cA1 GLY 261 H -0.10 0.12 -0.32 -0.55 8.43 7.59 2r5cA1 GLY 261 HA2 0.00 0.14 0.55 -0.51 4.01 4.19 2r5cA1 GLY 261 HA3 0.04 0.07 0.25 -0.51 4.01 3.86 2r5cA1 TRP 262 H 0.24 0.24 -0.51 -0.55 7.97 7.40 2r5cA1 TRP 262 HA -0.02 0.20 0.68 -0.75 4.62 4.73 2r5cA1 TRP 262 HB2 0.02 0.21 0.05 -0.04 3.23 3.47 2r5cA1 TRP 262 HB3 0.03 -0.07 -0.08 -0.04 3.23 3.07 2r5cA1 TRP 262 HD1 -0.05 -0.09 -0.64 -0.04 7.22 6.40 2r5cA1 TRP 262 HE1 -0.05 0.03 -0.10 -0.04 10.20 10.03 2r5cA1 TRP 262 HE3 -0.01 -0.05 -0.08 -0.04 7.59 7.41 2r5cA1 TRP 262 HZ2 -0.07 0.01 -0.05 -0.04 7.44 7.29 2r5cA1 TRP 262 HZ3 -0.15 -0.02 -0.19 -0.04 7.13 6.73 2r5cA1 TRP 262 HH2 -0.12 0.32 -0.14 -0.04 7.19 7.21 2r5cA1 LYS 263 H 0.16 0.11 -0.06 -0.55 8.42 8.08 2r5cA1 LYS 263 HA 0.07 -0.09 0.29 -0.75 4.32 3.84 2r5cA1 LYS 263 HB2 0.06 0.18 -0.29 -0.04 1.87 1.78 2r5cA1 LYS 263 HB3 0.05 -0.08 0.03 -0.04 1.79 1.75 2r5cA1 LYS 263 HG2 0.04 0.07 -0.21 -0.04 1.46 1.33 2r5cA1 LYS 263 HG3 0.01 0.05 -0.10 -0.04 1.46 1.38 2r5cA1 LYS 263 HD2 0.03 -0.11 0.03 -0.04 1.69 1.60 2r5cA1 LYS 263 HD3 -0.01 0.06 -0.01 -0.04 1.68 1.68 2r5cA1 LYS 263 HE2 -0.03 0.08 -0.07 -0.04 2.99 2.93 2r5cA1 LYS 263 HE3 0.04 -0.05 -0.25 -0.04 2.99 2.69 2r5cA1 ILE 264 H 0.15 0.11 -0.01 -0.55 8.25 7.95 2r5cA1 ILE 264 HA 0.13 0.33 0.91 -0.75 4.18 4.78 2r5cA1 ILE 264 HB 0.29 -0.06 -0.02 -0.04 1.89 2.06 2r5cA1 ILE 264 HG12 0.14 0.24 -0.37 -0.04 1.49 1.46 2r5cA1 ILE 264 HG13 0.15 -0.08 -0.14 -0.04 1.21 1.11 2r5cA1 ILE 264 HG23 0.39 -0.00 -0.13 -0.04 0.93 1.14 2r5cA1 ILE 264 HD13 0.12 0.00 0.09 -0.04 0.88 1.05 2r5cA1 GLY 265 H 0.06 0.82 0.29 -0.55 8.43 9.06 2r5cA1 GLY 265 HA2 -0.93 -0.01 0.75 -0.51 4.01 3.30 2r5cA1 GLY 265 HA3 -0.34 -0.03 -0.07 -0.51 4.01 3.07 2r5cA1 TRP 266 H -0.73 0.55 0.30 -0.55 7.97 7.54 2r5cA1 TRP 266 HA 0.04 0.33 0.94 -0.75 4.62 5.17 2r5cA1 TRP 266 HB2 0.08 0.07 -0.08 -0.04 3.23 3.26 2r5cA1 TRP 266 HB3 0.10 0.01 -0.11 -0.04 3.23 3.19 2r5cA1 TRP 266 HD1 0.09 0.07 -0.19 -0.04 7.22 7.15 2r5cA1 TRP 266 HE1 0.26 0.07 -0.13 -0.04 10.20 10.37 2r5cA1 TRP 266 HE3 0.20 0.13 -0.48 -0.04 7.59 7.40 2r5cA1 TRP 266 HZ2 0.40 0.10 -0.21 -0.04 7.44 7.69 2r5cA1 TRP 266 HZ3 0.43 0.02 -0.19 -0.04 7.13 7.35 2r5cA1 TRP 266 HH2 0.58 0.05 -0.22 -0.04 7.19 7.56 2r5cA1 ALA 267 H 0.16 0.66 0.33 -0.55 8.40 8.99 2r5cA1 ALA 267 HA -0.01 0.25 0.84 -0.75 4.34 4.67 2r5cA1 ALA 267 HB3 -0.05 -0.01 -0.02 -0.04 1.41 1.29 2r5cA1 TYR 268 H -0.26 0.73 0.29 -0.55 8.29 8.50 2r5cA1 TYR 268 HA -0.03 0.33 0.97 -0.75 4.56 5.07 2r5cA1 TYR 268 HB2 0.06 0.14 0.15 -0.04 3.06 3.36 2r5cA1 TYR 268 HB3 -0.02 -0.11 -0.09 -0.04 2.98 2.71 2r5cA1 TYR 268 HD2 0.04 -0.00 -0.22 -0.04 7.15 6.92 2r5cA1 TYR 268 HE2 -0.21 -0.01 -0.15 -0.04 6.85 6.43 2r5cA1 GLY 269 H 0.07 0.52 0.32 -0.55 8.43 8.79 2r5cA1 GLY 269 HA2 -1.28 0.03 0.53 -0.51 4.01 2.78 2r5cA1 GLY 269 HA3 -0.53 0.20 0.42 -0.51 4.01 3.59 2r5cA1 PRO 270 HA 0.17 0.04 0.59 -0.51 4.44 4.74 2r5cA1 PRO 270 HB2 -0.07 -0.17 -0.08 -0.04 2.28 1.91 2r5cA1 PRO 270 HB3 -0.01 0.04 0.08 -0.04 2.02 2.09 2r5cA1 PRO 270 HG2 -0.32 -0.07 0.08 -0.04 2.03 1.69 2r5cA1 PRO 270 HG3 -0.43 0.13 0.08 -0.04 2.03 1.77 2r5cA1 PRO 270 HD2 -0.81 0.33 0.36 -0.04 3.68 3.53 2r5cA1 PRO 270 HD3 -1.97 0.20 0.23 -0.04 3.65 2.06 2r5cA1 GLU 271 H 0.09 0.12 0.19 -0.55 8.60 8.45 2r5cA1 GLU 271 HA 0.00 0.28 0.14 -0.75 4.29 3.96 2r5cA1 GLU 271 HB2 0.06 -0.02 0.02 -0.04 2.09 2.12 2r5cA1 GLU 271 HB3 0.05 -0.06 0.13 -0.04 1.99 2.07 2r5cA1 GLU 271 HG2 0.02 -0.02 -0.19 -0.04 2.34 2.11 2r5cA1 GLU 271 HG3 0.02 0.12 0.09 -0.04 2.34 2.53 2r5cA1 ALA 272 H 0.01 0.02 -0.14 -0.55 8.40 7.74 2r5cA1 ALA 272 HA 0.01 0.07 0.46 -0.75 4.34 4.12 2r5cA1 ALA 272 HB3 -0.00 0.02 0.02 -0.04 1.41 1.42 2r5cA1 LEU 273 H -0.08 0.16 -0.24 -0.55 8.37 7.66 2r5cA1 LEU 273 HA 0.04 0.12 0.56 -0.75 4.35 4.32 2r5cA1 LEU 273 HB2 -0.19 0.10 -0.00 -0.04 1.64 1.51 2r5cA1 LEU 273 HB3 -0.17 -0.03 -0.09 -0.04 1.64 1.30 2r5cA1 LEU 273 HG -0.16 -0.12 -0.01 -0.04 1.64 1.31 2r5cA1 LEU 273 HD13 -0.28 0.07 -0.16 -0.04 0.93 0.52 2r5cA1 LEU 273 HD23 -0.24 0.02 -0.03 -0.04 0.89 0.59 2r5cA1 LEU 274 H -0.05 0.33 -0.26 -0.55 8.37 7.85 2r5cA1 LEU 274 HA -0.04 0.02 0.14 -0.75 4.35 3.71 2r5cA1 LEU 274 HB2 -0.05 0.13 -0.02 -0.04 1.64 1.65 2r5cA1 LEU 274 HB3 -0.10 -0.07 -0.14 -0.04 1.64 1.29 2r5cA1 LEU 274 HG -0.07 0.16 -0.30 -0.04 1.64 1.38 2r5cA1 LEU 274 HD13 -0.02 -0.02 -0.38 -0.04 0.93 0.47 2r5cA1 LEU 274 HD23 -0.10 -0.05 -0.37 -0.04 0.89 0.33 2r5cA1 LYS 275 H -0.04 0.53 -0.17 -0.55 8.42 8.19 2r5cA1 LYS 275 HA -0.10 -0.02 0.49 -0.75 4.32 3.94 2r5cA1 LYS 275 HB2 -0.02 0.09 0.13 -0.04 1.87 2.04 2r5cA1 LYS 275 HB3 -0.02 0.10 0.04 -0.04 1.79 1.88 2r5cA1 LYS 275 HG2 -0.02 -0.02 -0.09 -0.04 1.46 1.28 2r5cA1 LYS 275 HG3 0.00 -0.05 0.03 -0.04 1.46 1.41 2r5cA1 LYS 275 HD2 0.01 -0.02 -0.00 -0.04 1.69 1.64 2r5cA1 LYS 275 HD3 -0.01 0.05 -0.05 -0.04 1.68 1.64 2r5cA1 LYS 275 HE2 0.01 0.01 -0.02 -0.04 2.99 2.95 2r5cA1 LYS 275 HE3 0.02 -0.01 -0.03 -0.04 2.99 2.92 2r5cA1 ASN 276 H -0.07 0.29 -0.33 -0.55 8.53 7.88 2r5cA1 ASN 276 HA -0.14 0.04 0.52 -0.75 4.76 4.42 2r5cA1 ASN 276 HB2 -0.54 0.12 0.05 -0.04 2.88 2.47 2r5cA1 ASN 276 HB3 -0.60 0.11 0.03 -0.04 2.79 2.29 2r5cA1 ASN 276 HD21 -0.13 -0.10 0.05 -0.04 7.03 6.82 2r5cA1 ASN 276 HD22 -0.43 0.59 0.16 -0.04 7.74 8.01 2r5cA1 LEU 277 H -0.10 0.25 -0.22 -0.55 8.37 7.75 2r5cA1 LEU 277 HA -0.07 0.11 0.40 -0.75 4.35 4.04 2r5cA1 LEU 277 HB2 -0.10 0.20 0.08 -0.04 1.64 1.78 2r5cA1 LEU 277 HB3 -0.07 -0.10 -0.10 -0.04 1.64 1.34 2r5cA1 LEU 277 HG -0.03 -0.09 -0.45 -0.04 1.64 1.03 2r5cA1 LEU 277 HD13 0.01 0.00 -0.11 -0.04 0.93 0.79 2r5cA1 LEU 277 HD23 -0.05 -0.02 -0.12 -0.04 0.89 0.66 2r5cA1 GLN 278 H -0.18 0.56 -0.12 -0.55 8.47 8.18 2r5cA1 GLN 278 HA -0.20 -0.04 0.40 -0.75 4.36 3.78 2r5cA1 GLN 278 HB2 -0.24 0.21 0.15 -0.04 2.15 2.24 2r5cA1 GLN 278 HB3 -0.43 -0.07 -0.00 -0.04 2.02 1.48 2r5cA1 GLN 278 HG2 -1.90 -0.07 0.03 -0.04 2.40 0.43 2r5cA1 GLN 278 HG3 -0.53 0.10 0.01 -0.04 2.39 1.94 2r5cA1 GLN 278 HE21 -0.12 -0.03 0.02 -0.04 6.97 6.80 2r5cA1 GLN 278 HE22 -0.37 0.02 -0.08 -0.04 7.69 7.22 2r5cA1 MET 279 H -0.04 0.46 -0.33 -0.55 8.47 8.02 2r5cA1 MET 279 HA 0.08 0.02 0.52 -0.75 4.52 4.39 2r5cA1 MET 279 HB2 -0.02 0.16 0.05 -0.04 2.15 2.30 2r5cA1 MET 279 HB3 0.02 -0.05 0.03 -0.04 2.03 1.99 2r5cA1 MET 279 HG2 -0.01 0.21 0.05 -0.04 2.63 2.84 2r5cA1 MET 279 HG3 -0.01 -0.02 0.00 -0.04 2.56 2.50 2r5cA1 MET 279 HE3 0.12 0.02 -0.13 -0.04 2.10 2.07 2r5cA1 VAL 280 H 0.02 0.34 -0.29 -0.55 8.24 7.76 2r5cA1 VAL 280 HA 0.05 0.11 0.43 -0.75 4.13 3.96 2r5cA1 VAL 280 HB 0.02 0.05 0.25 -0.04 2.12 2.40 2r5cA1 VAL 280 HG13 0.04 -0.02 -0.12 -0.04 0.97 0.83 2r5cA1 VAL 280 HG23 -0.07 0.06 -0.07 -0.04 0.95 0.82 2r5cA1 HIS 281 H 0.16 0.75 0.10 -0.55 8.41 8.87 2r5cA1 HIS 281 HA 0.12 -0.09 0.29 -0.75 4.63 4.20 2r5cA1 HIS 281 HB2 0.06 -0.02 0.04 -0.04 3.26 3.30 2r5cA1 HIS 281 HB3 0.06 0.09 0.10 -0.04 3.20 3.41 2r5cA1 HIS 281 HD2 0.29 -0.01 -0.14 -0.04 6.97 7.06 2r5cA1 HIS 281 HE1 0.09 -0.17 -0.12 -0.04 7.75 7.50 2r5cA1 GLN 282 H 0.20 0.55 -0.31 -0.55 8.47 8.36 2r5cA1 GLN 282 HA 0.13 0.01 0.32 -0.75 4.36 4.06 2r5cA1 GLN 282 HB2 0.26 -0.08 0.10 -0.04 2.15 2.38 2r5cA1 GLN 282 HB3 0.38 0.04 0.12 -0.04 2.02 2.52 2r5cA1 GLN 282 HG2 0.16 0.17 0.07 -0.04 2.40 2.77 2r5cA1 GLN 282 HG3 0.12 0.01 -0.25 -0.04 2.39 2.23 2r5cA1 GLN 282 HE21 0.09 -0.07 -0.01 -0.04 6.97 6.94 2r5cA1 GLN 282 HE22 0.08 0.08 0.00 -0.04 7.69 7.81 2r5cA1 ASN 283 H 0.09 0.43 -0.42 -0.55 8.53 8.08 2r5cA1 ASN 283 HA 0.05 0.17 0.92 -0.75 4.76 5.15 2r5cA1 ASN 283 HB2 0.06 0.17 0.11 -0.04 2.88 3.18 2r5cA1 ASN 283 HB3 0.05 -0.04 0.22 -0.04 2.79 2.98 2r5cA1 ASN 283 HD21 0.05 -0.07 -0.03 -0.04 7.03 6.93 2r5cA1 ASN 283 HD22 0.06 0.18 0.02 -0.04 7.74 7.96 2r5cA1 CYS 284 H 0.03 0.17 -0.25 -0.55 8.50 7.90 2r5cA1 CYS 284 HA 0.07 0.16 0.78 -0.75 4.58 4.84 2r5cA1 CYS 284 HB2 0.17 0.10 -0.09 -0.04 2.97 3.11 2r5cA1 CYS 284 HB3 0.10 -0.07 0.07 -0.04 2.97 3.03 2r5cA1 VAL 285 H -0.09 0.28 0.25 -0.55 8.24 8.13 2r5cA1 VAL 285 HA 0.02 0.20 0.86 -0.75 4.13 4.46 2r5cA1 VAL 285 HB 0.03 0.05 0.11 -0.04 2.12 2.27 2r5cA1 VAL 285 HG13 0.04 -0.02 -0.13 -0.04 0.97 0.82 2r5cA1 VAL 285 HG23 -0.05 -0.03 -0.13 -0.04 0.95 0.70 2r5cA1 TYR 286 H -0.13 0.31 0.19 -0.55 8.29 8.11 2r5cA1 TYR 286 HA -0.14 -0.02 0.46 -0.75 4.56 4.10 2r5cA1 TYR 286 HB2 -0.07 0.13 0.02 -0.04 3.06 3.11 2r5cA1 TYR 286 HB3 -0.07 0.12 0.19 -0.04 2.98 3.17 2r5cA1 TYR 286 HD2 -0.10 0.05 0.06 -0.04 7.15 7.12 2r5cA1 TYR 286 HE2 -0.22 -0.03 0.00 -0.04 6.85 6.56 2r5cA1 THR 287 H 0.04 0.60 0.24 -0.55 8.28 8.60 2r5cA1 THR 287 HA -0.03 0.29 0.89 -0.75 4.39 4.78 2r5cA1 THR 287 HB -0.54 -0.03 -0.17 -0.04 4.32 3.54 2r5cA1 THR 287 HG23 0.20 -0.02 -0.14 -0.04 1.22 1.22 2r5cA1 CYS 288 H 0.09 0.15 0.04 -0.55 8.50 8.24 2r5cA1 CYS 288 HA 0.09 0.20 0.69 -0.75 4.58 4.80 2r5cA1 CYS 288 HB2 0.12 -0.03 -0.10 -0.04 2.97 2.92 2r5cA1 CYS 288 HB3 0.10 -0.06 0.04 -0.04 2.97 3.00 2r5cA1 ALA 289 H 0.04 0.13 0.13 -0.55 8.40 8.15 2r5cA1 ALA 289 HA -0.01 0.12 0.23 -0.75 4.34 3.92 2r5cA1 ALA 289 HB3 -0.06 0.02 0.13 -0.04 1.41 1.46 2r5cA1 THR 290 H -0.07 0.23 0.15 -0.55 8.28 8.05 2r5cA1 THR 290 HA -0.25 -0.03 0.59 -0.75 4.39 3.95 2r5cA1 THR 290 HB -0.11 0.15 0.07 -0.04 4.32 4.39 2r5cA1 THR 290 HG23 -0.25 -0.01 -0.03 -0.04 1.22 0.88 2r5cA1 PRO 291 HA -0.13 0.13 0.46 -0.51 4.44 4.39 2r5cA1 PRO 291 HB2 -0.18 0.00 -0.05 -0.04 2.28 2.01 2r5cA1 PRO 291 HB3 -0.12 0.19 -0.03 -0.04 2.02 2.02 2r5cA1 PRO 291 HG2 -0.17 -0.04 0.03 -0.04 2.03 1.81 2r5cA1 PRO 291 HG3 -0.12 0.12 0.06 -0.04 2.03 2.06 2r5cA1 PRO 291 HD2 -0.11 -0.10 0.10 -0.04 3.68 3.52 2r5cA1 PRO 291 HD3 -0.11 0.29 0.22 -0.04 3.65 4.01 2r5cA1 ILE 292 H -0.20 0.14 -0.39 -0.55 8.25 7.25 2r5cA1 ILE 292 HA -0.53 0.10 0.42 -0.75 4.18 3.41 2r5cA1 ILE 292 HB -0.14 0.05 0.04 -0.04 1.89 1.79 2r5cA1 ILE 292 HG12 -0.70 0.00 -0.03 -0.04 1.49 0.72 2r5cA1 ILE 292 HG13 -0.29 -0.05 0.00 -0.04 1.21 0.83 2r5cA1 ILE 292 HG23 -0.25 0.02 -0.12 -0.04 0.93 0.55 2r5cA1 ILE 292 HD13 -0.27 0.02 0.05 -0.04 0.88 0.64 2r5cA1 GLN 293 H -0.07 0.43 -0.10 -0.55 8.47 8.19 2r5cA1 GLN 293 HA 0.17 0.01 0.37 -0.75 4.36 4.16 2r5cA1 GLN 293 HB2 -0.08 0.16 0.16 -0.04 2.15 2.35 2r5cA1 GLN 293 HB3 0.21 -0.14 0.05 -0.04 2.02 2.10 2r5cA1 GLN 293 HG2 0.18 -0.06 0.01 -0.04 2.40 2.48 2r5cA1 GLN 293 HG3 0.05 0.29 0.06 -0.04 2.39 2.75 2r5cA1 GLN 293 HE21 0.10 0.02 -0.14 -0.04 6.97 6.91 2r5cA1 GLN 293 HE22 0.03 0.27 -0.60 -0.04 7.69 7.35 2r5cA1 GLU 294 H -0.11 0.63 -0.23 -0.55 8.60 8.35 2r5cA1 GLU 294 HA 0.22 -0.07 0.47 -0.75 4.29 4.15 2r5cA1 GLU 294 HB2 -0.05 0.05 0.14 -0.04 2.09 2.18 2r5cA1 GLU 294 HB3 -0.06 0.17 0.19 -0.04 1.99 2.25 2r5cA1 GLU 294 HG2 0.02 0.06 0.02 -0.04 2.34 2.40 2r5cA1 GLU 294 HG3 0.04 -0.01 -0.23 -0.04 2.34 2.10 2r5cA1 ALA 295 H -0.06 0.48 -0.20 -0.55 8.40 8.07 2r5cA1 ALA 295 HA 0.04 0.03 0.37 -0.75 4.34 4.02 2r5cA1 ALA 295 HB3 -0.06 0.07 -0.03 -0.04 1.41 1.35 2r5cA1 ILE 296 H 0.13 0.53 -0.20 -0.55 8.25 8.16 2r5cA1 ILE 296 HA -0.13 0.02 0.57 -0.75 4.18 3.88 2r5cA1 ILE 296 HB 0.30 0.08 0.09 -0.04 1.89 2.31 2r5cA1 ILE 296 HG12 0.32 -0.04 -0.02 -0.04 1.49 1.70 2r5cA1 ILE 296 HG13 0.45 0.10 -0.01 -0.04 1.21 1.71 2r5cA1 ILE 296 HG23 0.50 -0.02 -0.10 -0.04 0.93 1.27 2r5cA1 ILE 296 HD13 0.45 -0.03 -0.15 -0.04 0.88 1.10 2r5cA1 ALA 297 H 0.18 0.54 -0.17 -0.55 8.40 8.41 2r5cA1 ALA 297 HA 0.29 0.02 0.49 -0.75 4.34 4.38 2r5cA1 ALA 297 HB3 0.15 0.04 -0.05 -0.04 1.41 1.51 2r5cA1 VAL 298 H 0.09 0.52 -0.19 -0.55 8.24 8.11 2r5cA1 VAL 298 HA 0.07 0.02 0.33 -0.75 4.13 3.80 2r5cA1 VAL 298 HB 0.06 0.14 0.16 -0.04 2.12 2.44 2r5cA1 VAL 298 HG13 0.05 -0.01 -0.11 -0.04 0.97 0.86 2r5cA1 VAL 298 HG23 0.05 0.04 0.02 -0.04 0.95 1.03 2r5cA1 GLY 299 H -0.03 0.55 -0.12 -0.55 8.43 8.29 2r5cA1 GLY 299 HA2 0.16 -0.04 0.48 -0.51 4.01 4.10 2r5cA1 GLY 299 HA3 -0.45 0.06 0.27 -0.51 4.01 3.39 2r5cA1 PHE 300 H 0.13 0.62 -0.19 -0.55 8.34 8.35 2r5cA1 PHE 300 HA 0.42 0.02 0.44 -0.75 4.62 4.74 2r5cA1 PHE 300 HB2 0.12 0.12 0.13 -0.04 3.15 3.49 2r5cA1 PHE 300 HB3 0.10 -0.01 -0.08 -0.04 3.06 3.03 2r5cA1 PHE 300 HD2 0.26 0.01 -0.07 -0.04 7.28 7.44 2r5cA1 PHE 300 HE2 0.00 -0.03 -0.09 -0.04 7.38 7.22 2r5cA1 PHE 300 HZ 0.23 -0.03 -0.11 -0.04 7.32 7.37 2r5cA1 GLU 301 H 0.17 0.51 -0.12 -0.55 8.60 8.62 2r5cA1 GLU 301 HA 0.09 0.02 0.50 -0.75 4.29 4.15 2r5cA1 GLU 301 HB2 0.06 0.09 0.19 -0.04 2.09 2.39 2r5cA1 GLU 301 HB3 0.03 -0.03 -0.03 -0.04 1.99 1.92 2r5cA1 GLU 301 HG2 0.05 -0.03 0.02 -0.04 2.34 2.33 2r5cA1 GLU 301 HG3 0.09 0.07 0.05 -0.04 2.34 2.51 2r5cA1 THR 302 H 0.01 0.65 -0.09 -0.55 8.28 8.30 2r5cA1 THR 302 HA -0.09 0.04 0.51 -0.75 4.39 4.10 2r5cA1 THR 302 HB -0.31 0.12 0.10 -0.04 4.32 4.19 2r5cA1 THR 302 HG23 -0.45 -0.03 -0.03 -0.04 1.22 0.67 2r5cA1 GLU 303 H -0.00 0.37 -0.35 -0.55 8.60 8.07 2r5cA1 GLU 303 HA -0.20 0.03 0.49 -0.75 4.29 3.85 2r5cA1 GLU 303 HB2 0.01 0.13 0.15 -0.04 2.09 2.34 2r5cA1 GLU 303 HB3 -0.68 -0.05 0.03 -0.04 1.99 1.24 2r5cA1 GLU 303 HG2 -0.03 0.22 0.08 -0.04 2.34 2.56 2r5cA1 GLU 303 HG3 -0.66 -0.04 0.03 -0.04 2.34 1.63 2r5cA1 LEU 304 H 0.07 0.46 -0.12 -0.55 8.37 8.23 2r5cA1 LEU 304 HA 0.08 0.02 0.41 -0.75 4.35 4.10 2r5cA1 LEU 304 HB2 0.06 0.08 0.18 -0.04 1.64 1.92 2r5cA1 LEU 304 HB3 0.03 -0.03 -0.02 -0.04 1.64 1.58 2r5cA1 LEU 304 HG 0.17 0.07 0.04 -0.04 1.64 1.87 2r5cA1 LEU 304 HD13 0.03 -0.01 -0.06 -0.04 0.93 0.86 2r5cA1 LEU 304 HD23 0.02 -0.02 -0.05 -0.04 0.89 0.79 2r5cA1 LYS 305 H -0.02 0.28 -0.45 -0.55 8.42 7.68 2r5cA1 LYS 305 HA -0.01 0.08 0.58 -0.75 4.32 4.21 2r5cA1 LYS 305 HB2 -0.04 0.15 0.08 -0.04 1.87 2.01 2r5cA1 LYS 305 HB3 -0.03 -0.06 0.05 -0.04 1.79 1.71 2r5cA1 LYS 305 HG2 -0.01 -0.04 0.04 -0.04 1.46 1.41 2r5cA1 LYS 305 HG3 -0.01 0.18 0.06 -0.04 1.46 1.65 2r5cA1 LYS 305 HD2 -0.02 -0.04 0.01 -0.04 1.69 1.60 2r5cA1 LYS 305 HD3 -0.01 -0.04 -0.00 -0.04 1.68 1.58 2r5cA1 LYS 305 HE2 -0.03 0.03 -0.05 -0.04 2.99 2.90 2r5cA1 LYS 305 HE3 -0.05 0.06 0.05 -0.04 2.99 3.02 2r5cA1 ARG 306 H -0.05 0.30 -0.45 -0.55 8.46 7.72 2r5cA1 ARG 306 HA -0.02 0.18 0.90 -0.75 4.34 4.65 2r5cA1 ARG 306 HB2 -0.04 -0.11 0.16 -0.04 1.90 1.87 2r5cA1 ARG 306 HB3 -0.05 0.04 -0.11 -0.04 1.80 1.64 2r5cA1 ARG 306 HG2 -0.11 0.19 0.10 -0.04 1.67 1.81 2r5cA1 ARG 306 HG3 -0.10 -0.05 0.07 -0.04 1.67 1.55 2r5cA1 ARG 306 HD2 -0.07 -0.09 -0.10 -0.04 3.22 2.91 2r5cA1 ARG 306 HD3 -0.10 0.03 -0.03 -0.04 3.22 3.08 2r5cA1 LEU 307 H 0.00 0.25 -0.15 -0.55 8.37 7.93 2r5cA1 LEU 307 HA 0.01 0.08 0.33 -0.75 4.35 4.02 2r5cA1 LEU 307 HB2 0.03 -0.01 0.12 -0.04 1.64 1.74 2r5cA1 LEU 307 HB3 0.06 0.01 -0.07 -0.04 1.64 1.61 2r5cA1 LEU 307 HG 0.06 0.07 0.14 -0.04 1.64 1.88 2r5cA1 LEU 307 HD13 0.04 0.00 0.03 -0.04 0.93 0.97 2r5cA1 LEU 307 HD23 0.23 -0.02 -0.04 -0.04 0.89 1.02 2r5cA1 LYS 308 H 0.01 0.10 -0.05 -0.55 8.42 7.93 2r5cA1 LYS 308 HA 0.03 0.14 0.54 -0.75 4.32 4.27 2r5cA1 LYS 308 HB2 0.01 -0.01 -0.05 -0.04 1.87 1.78 2r5cA1 LYS 308 HB3 0.02 0.02 0.12 -0.04 1.79 1.90 2r5cA1 LYS 308 HG2 0.02 0.01 0.01 -0.04 1.46 1.46 2r5cA1 LYS 308 HG3 0.01 -0.02 0.04 -0.04 1.46 1.46 2r5cA1 LYS 308 HD2 0.01 0.01 0.01 -0.04 1.69 1.68 2r5cA1 LYS 308 HD3 0.01 -0.01 0.01 -0.04 1.68 1.65 2r5cA1 LYS 308 HE2 0.02 0.00 0.03 -0.04 2.99 2.99 2r5cA1 LYS 308 HE3 0.02 0.02 0.01 -0.04 2.99 3.00 2r5cA1 SER 309 H -0.00 0.25 -0.65 -0.55 8.46 7.51 2r5cA1 SER 309 HA 0.01 0.21 0.57 -0.75 4.49 4.53 2r5cA1 SER 309 HB2 -0.01 -0.04 0.00 -0.04 3.95 3.86 2r5cA1 SER 309 HB3 -0.02 0.07 0.12 -0.04 3.93 4.06 2r5cA1 PRO 310 HA 0.02 0.13 0.37 -0.51 4.44 4.45 2r5cA1 PRO 310 HB2 0.02 -0.03 0.03 -0.04 2.28 2.26 2r5cA1 PRO 310 HB3 0.02 0.04 0.09 -0.04 2.02 2.13 2r5cA1 PRO 310 HG2 0.01 0.01 0.10 -0.04 2.03 2.11 2r5cA1 PRO 310 HG3 0.02 0.08 0.11 -0.04 2.03 2.20 2r5cA1 PRO 310 HD2 0.01 0.03 0.21 -0.04 3.68 3.89 2r5cA1 PRO 310 HD3 0.01 0.25 0.28 -0.04 3.65 4.15 2r5cA1 GLU 311 H 0.00 0.04 -0.37 -0.55 8.60 7.73 2r5cA1 GLU 311 HA 0.03 0.16 0.45 -0.75 4.29 4.18 2r5cA1 GLU 311 HB2 0.02 -0.01 0.09 -0.04 2.09 2.15 2r5cA1 GLU 311 HB3 0.01 -0.01 0.02 -0.04 1.99 1.97 2r5cA1 GLU 311 HG2 -0.02 0.05 -0.33 -0.04 2.34 2.00 2r5cA1 GLU 311 HG3 -0.01 -0.02 -0.04 -0.04 2.34 2.23 2r5cA1 CYS 312 H -0.02 0.41 -0.24 -0.55 8.50 8.10 2r5cA1 CYS 312 HA -0.12 -0.03 0.60 -0.75 4.58 4.27 2r5cA1 CYS 312 HB2 -0.08 0.34 0.22 -0.04 2.97 3.42 2r5cA1 CYS 312 HB3 -0.03 0.19 0.20 -0.04 2.97 3.28 2r5cA1 TYR 313 H -0.00 0.17 0.23 -0.55 8.29 8.13 2r5cA1 TYR 313 HA 0.01 0.06 0.45 -0.75 4.56 4.32 2r5cA1 TYR 313 HB2 0.07 0.00 0.19 -0.04 3.06 3.29 2r5cA1 TYR 313 HB3 -0.12 0.02 0.09 -0.04 2.98 2.93 2r5cA1 TYR 313 HD2 0.04 0.06 0.05 -0.04 7.15 7.26 2r5cA1 TYR 313 HE2 0.09 0.02 -0.02 -0.04 6.85 6.90 2r5cA1 PHE 314 H -0.41 0.06 -0.26 -0.55 8.34 7.18 2r5cA1 PHE 314 HA -0.32 0.08 0.42 -0.75 4.62 4.05 2r5cA1 PHE 314 HB2 -0.07 0.07 0.00 -0.04 3.15 3.10 2r5cA1 PHE 314 HB3 -0.13 0.03 0.04 -0.04 3.06 2.97 2r5cA1 PHE 314 HD2 -0.28 0.07 -0.05 -0.04 7.28 6.99 2r5cA1 PHE 314 HE2 -0.31 0.02 -0.07 -0.04 7.38 6.97 2r5cA1 PHE 314 HZ 0.16 -0.02 -0.03 -0.04 7.32 7.38 2r5cA1 ASN 315 H 0.03 0.16 -0.30 -0.55 8.53 7.87 2r5cA1 ASN 315 HA 0.06 0.16 0.84 -0.75 4.76 5.07 2r5cA1 ASN 315 HB2 0.02 0.22 0.10 -0.04 2.88 3.18 2r5cA1 ASN 315 HB3 0.04 -0.08 0.05 -0.04 2.79 2.76 2r5cA1 ASN 315 HD21 0.05 0.25 0.03 -0.04 7.03 7.32 2r5cA1 ASN 315 HD22 0.02 0.36 -0.16 -0.04 7.74 7.92 2r5cA1 SER 316 H -0.02 0.41 0.02 -0.55 8.46 8.32 2r5cA1 SER 316 HA 0.03 0.08 0.33 -0.75 4.49 4.18 2r5cA1 SER 316 HB2 0.07 -0.11 0.05 -0.04 3.95 3.92 2r5cA1 SER 316 HB3 0.05 0.20 -0.00 -0.04 3.93 4.14 2r5cA1 ILE 317 H -0.17 0.40 -0.23 -0.55 8.25 7.70 2r5cA1 ILE 317 HA -0.12 -0.02 0.12 -0.75 4.18 3.41 2r5cA1 ILE 317 HB -0.87 0.12 0.13 -0.04 1.89 1.23 2r5cA1 ILE 317 HG12 -0.22 -0.03 -0.16 -0.04 1.49 1.05 2r5cA1 ILE 317 HG13 -0.21 -0.07 0.02 -0.04 1.21 0.91 2r5cA1 ILE 317 HG23 -0.18 0.01 -0.08 -0.04 0.93 0.65 2r5cA1 ILE 317 HD13 -0.24 -0.01 -0.07 -0.04 0.88 0.52 2r5cA1 SER 318 H -0.03 0.31 -0.25 -0.55 8.46 7.94 2r5cA1 SER 318 HA 0.02 0.04 0.38 -0.75 4.49 4.17 2r5cA1 SER 318 HB2 0.07 0.08 0.11 -0.04 3.95 4.16 2r5cA1 SER 318 HB3 0.17 -0.08 -0.04 -0.04 3.93 3.94 2r5cA1 GLY 319 H 0.08 0.34 -0.15 -0.55 8.43 8.16 2r5cA1 GLY 319 HA2 0.11 0.00 0.38 -0.51 4.01 4.00 2r5cA1 GLY 319 HA3 0.07 0.09 0.32 -0.51 4.01 3.98 2r5cA1 GLU 320 H 0.08 0.39 -0.18 -0.55 8.60 8.34 2r5cA1 GLU 320 HA 0.09 0.01 0.48 -0.75 4.29 4.12 2r5cA1 GLU 320 HB2 0.10 0.02 0.06 -0.04 2.09 2.23 2r5cA1 GLU 320 HB3 0.07 0.17 0.11 -0.04 1.99 2.31 2r5cA1 GLU 320 HG2 0.22 -0.00 -0.18 -0.04 2.34 2.34 2r5cA1 GLU 320 HG3 0.17 -0.05 0.02 -0.04 2.34 2.44 2r5cA1 LEU 321 H 0.16 0.48 -0.24 -0.55 8.37 8.22 2r5cA1 LEU 321 HA 0.21 0.05 0.55 -0.75 4.35 4.40 2r5cA1 LEU 321 HB2 0.47 0.19 0.16 -0.04 1.64 2.41 2r5cA1 LEU 321 HB3 0.61 -0.01 -0.00 -0.04 1.64 2.20 2r5cA1 LEU 321 HG -0.12 0.00 -0.04 -0.04 1.64 1.44 2r5cA1 LEU 321 HD13 -0.22 0.01 -0.13 -0.04 0.93 0.54 2r5cA1 LEU 321 HD23 -0.39 -0.02 -0.07 -0.04 0.89 0.37 2r5cA1 MET 322 H 0.16 0.45 -0.03 -0.55 8.47 8.50 2r5cA1 MET 322 HA -0.72 0.05 0.21 -0.75 4.52 3.30 2r5cA1 MET 322 HB2 0.03 0.15 0.14 -0.04 2.15 2.43 2r5cA1 MET 322 HB3 -0.05 0.01 0.13 -0.04 2.03 2.08 2r5cA1 MET 322 HG2 -0.23 -0.06 -0.02 -0.04 2.63 2.28 2r5cA1 MET 322 HG3 -0.56 0.04 0.06 -0.04 2.56 2.05 2r5cA1 MET 322 HE3 -0.01 0.01 0.01 -0.04 2.10 2.07 2r5cA1 ALA 323 H -0.01 0.36 -0.24 -0.55 8.40 7.96 2r5cA1 ALA 323 HA -0.04 0.03 0.39 -0.75 4.34 3.96 2r5cA1 ALA 323 HB3 0.00 0.03 0.06 -0.04 1.41 1.46 2r5cA1 LYS 324 H 0.03 0.31 -0.25 -0.55 8.42 7.95 2r5cA1 LYS 324 HA 0.05 0.03 0.75 -0.75 4.32 4.39 2r5cA1 LYS 324 HB2 0.33 0.10 0.12 -0.04 1.87 2.38 2r5cA1 LYS 324 HB3 0.24 0.02 0.17 -0.04 1.79 2.17 2r5cA1 LYS 324 HG2 0.07 -0.10 0.07 -0.04 1.46 1.47 2r5cA1 LYS 324 HG3 0.11 0.07 0.13 -0.04 1.46 1.73 2r5cA1 LYS 324 HD2 0.29 -0.03 0.10 -0.04 1.69 2.01 2r5cA1 LYS 324 HD3 0.28 0.10 0.19 -0.04 1.68 2.22 2r5cA1 LYS 324 HE2 0.13 0.07 0.06 -0.04 2.99 3.21 2r5cA1 LYS 324 HE3 0.35 -0.10 -0.03 -0.04 2.99 3.17 2r5cA1 ARG 325 H -0.33 0.65 -0.02 -0.55 8.46 8.21 2r5cA1 ARG 325 HA -1.63 -0.00 0.44 -0.75 4.34 2.39 2r5cA1 ARG 325 HB2 -0.70 0.02 0.01 -0.04 1.90 1.19 2r5cA1 ARG 325 HB3 -0.63 0.12 0.18 -0.04 1.80 1.43 2r5cA1 ARG 325 HG2 -0.48 -0.08 0.03 -0.04 1.67 1.09 2r5cA1 ARG 325 HG3 -0.25 0.07 -0.02 -0.04 1.67 1.43 2r5cA1 ARG 325 HD2 -0.41 0.01 -0.10 -0.04 3.22 2.68 2r5cA1 ARG 325 HD3 -0.22 -0.10 -0.09 -0.04 3.22 2.77 2r5cA1 ASP 326 H -0.24 0.63 -0.08 -0.55 8.40 8.16 2r5cA1 ASP 326 HA -0.17 0.02 0.26 -0.75 4.63 3.99 2r5cA1 ASP 326 HB2 -0.08 0.07 0.16 -0.04 2.71 2.82 2r5cA1 ASP 326 HB3 -0.06 -0.04 0.03 -0.04 2.70 2.58 2r5cA1 TYR 327 H 0.01 0.31 -0.30 -0.55 8.29 7.76 2r5cA1 TYR 327 HA -0.06 0.01 0.40 -0.75 4.56 4.17 2r5cA1 TYR 327 HB2 -0.02 0.16 0.21 -0.04 3.06 3.37 2r5cA1 TYR 327 HB3 -0.03 0.05 0.20 -0.04 2.98 3.16 2r5cA1 TYR 327 HD2 0.13 0.02 -0.08 -0.04 7.15 7.19 2r5cA1 TYR 327 HE2 0.16 0.07 -0.16 -0.04 6.85 6.88 2r5cA1 MET 328 H -0.17 0.60 -0.15 -0.55 8.47 8.21 2r5cA1 MET 328 HA -1.48 0.02 0.53 -0.75 4.52 2.84 2r5cA1 MET 328 HB2 -0.10 0.04 0.08 -0.04 2.15 2.13 2r5cA1 MET 328 HB3 -0.31 0.11 0.08 -0.04 2.03 1.86 2r5cA1 MET 328 HG2 -0.29 -0.02 -0.32 -0.04 2.63 1.96 2r5cA1 MET 328 HG3 -0.57 -0.03 -0.06 -0.04 2.56 1.86 2r5cA1 MET 328 HE3 0.31 0.02 -0.21 -0.04 2.10 2.17 2r5cA1 ALA 329 H -0.30 0.61 -0.08 -0.55 8.40 8.08 2r5cA1 ALA 329 HA -0.15 -0.02 0.39 -0.75 4.34 3.81 2r5cA1 ALA 329 HB3 -0.11 0.03 0.02 -0.04 1.41 1.30 2r5cA1 SER 330 H -0.23 0.47 -0.34 -0.55 8.46 7.81 2r5cA1 SER 330 HA -0.09 0.03 0.62 -0.75 4.49 4.30 2r5cA1 SER 330 HB2 -0.24 0.20 0.21 -0.04 3.95 4.08 2r5cA1 SER 330 HB3 -0.11 -0.07 -0.02 -0.04 3.93 3.69 2r5cA1 PHE 331 H -0.47 0.50 0.08 -0.55 8.34 7.89 2r5cA1 PHE 331 HA -0.09 0.06 0.41 -0.75 4.62 4.24 2r5cA1 PHE 331 HB2 -0.10 0.01 0.16 -0.04 3.15 3.18 2r5cA1 PHE 331 HB3 -0.30 -0.01 0.13 -0.04 3.06 2.83 2r5cA1 PHE 331 HD2 -0.28 -0.00 -0.32 -0.04 7.28 6.64 2r5cA1 PHE 331 HE2 0.01 -0.03 -0.09 -0.04 7.38 7.22 2r5cA1 PHE 331 HZ -0.03 -0.03 -0.06 -0.04 7.32 7.16 2r5cA1 LEU 332 H -0.27 0.46 -0.40 -0.55 8.37 7.62 2r5cA1 LEU 332 HA 0.19 0.06 0.44 -0.75 4.35 4.29 2r5cA1 LEU 332 HB2 -0.08 0.11 0.03 -0.04 1.64 1.66 2r5cA1 LEU 332 HB3 0.10 -0.08 -0.14 -0.04 1.64 1.48 2r5cA1 LEU 332 HG -0.35 0.09 -0.10 -0.04 1.64 1.24 2r5cA1 LEU 332 HD13 0.15 -0.03 -0.20 -0.04 0.93 0.82 2r5cA1 LEU 332 HD23 0.13 -0.01 -0.12 -0.04 0.89 0.85 2r5cA1 ALA 333 H -0.01 0.40 -0.10 -0.55 8.40 8.14 2r5cA1 ALA 333 HA 0.06 0.35 0.64 -0.75 4.34 4.64 2r5cA1 ALA 333 HB3 0.01 0.01 0.19 -0.04 1.41 1.58 2r5cA1 GLU 334 H 0.05 0.45 -0.21 -0.55 8.60 8.35 2r5cA1 GLU 334 HA 0.06 -0.01 0.33 -0.75 4.29 3.92 2r5cA1 GLU 334 HB2 0.05 0.02 0.10 -0.04 2.09 2.22 2r5cA1 GLU 334 HB3 0.11 0.16 0.07 -0.04 1.99 2.29 2r5cA1 GLU 334 HG2 0.08 0.03 -0.10 -0.04 2.34 2.31 2r5cA1 GLU 334 HG3 0.06 -0.04 0.07 -0.04 2.34 2.38 2r5cA1 VAL 335 H 0.15 0.18 -0.61 -0.55 8.24 7.41 2r5cA1 VAL 335 HA 0.20 0.13 0.38 -0.75 4.13 4.08 2r5cA1 VAL 335 HB 0.20 0.01 0.00 -0.04 2.12 2.29 2r5cA1 VAL 335 HG13 0.19 -0.04 0.02 -0.04 0.97 1.10 2r5cA1 VAL 335 HG23 0.38 -0.02 0.03 -0.04 0.95 1.31 2r5cA1 GLY 336 H 0.13 0.23 -0.28 -0.55 8.43 7.97 2r5cA1 GLY 336 HA2 0.10 0.02 0.19 -0.51 4.01 3.81 2r5cA1 GLY 336 HA3 0.16 0.16 0.80 -0.51 4.01 4.61 2r5cA1 MET 337 H 0.14 0.39 0.16 -0.55 8.47 8.61 2r5cA1 MET 337 HA 0.09 0.18 0.88 -0.75 4.52 4.91 2r5cA1 MET 337 HB2 0.16 0.02 -0.16 -0.04 2.15 2.13 2r5cA1 MET 337 HB3 0.18 -0.11 -0.25 -0.04 2.03 1.81 2r5cA1 MET 337 HG2 0.23 -0.04 -0.14 -0.04 2.63 2.64 2r5cA1 MET 337 HG3 0.22 0.06 -0.11 -0.04 2.56 2.68 2r5cA1 MET 337 HE3 0.39 0.01 -0.13 -0.04 2.10 2.33 2r5cA1 ASN 338 H 0.05 0.29 0.22 -0.55 8.53 8.54 2r5cA1 ASN 338 HA 0.08 0.39 1.08 -0.75 4.76 5.55 2r5cA1 ASN 338 HB2 0.09 -0.09 -0.06 -0.04 2.88 2.78 2r5cA1 ASN 338 HB3 0.06 0.18 -0.08 -0.04 2.79 2.91 2r5cA1 ASN 338 HD21 -0.05 -0.11 0.04 -0.04 7.03 6.87 2r5cA1 ASN 338 HD22 0.03 0.03 0.06 -0.04 7.74 7.81 2r5cA1 PRO 339 HA 0.18 0.01 0.53 -0.51 4.44 4.64 2r5cA1 PRO 339 HB2 0.05 0.00 -0.12 -0.04 2.28 2.17 2r5cA1 PRO 339 HB3 0.06 -0.02 -0.03 -0.04 2.02 2.00 2r5cA1 PRO 339 HG2 0.04 -0.03 0.15 -0.04 2.03 2.15 2r5cA1 PRO 339 HG3 0.01 0.22 0.14 -0.04 2.03 2.35 2r5cA1 PRO 339 HD2 0.07 0.29 0.26 -0.04 3.68 4.25 2r5cA1 PRO 339 HD3 0.08 0.09 -0.33 -0.04 3.65 3.44 2r5cA1 THR 340 H 0.20 0.80 0.40 -0.55 8.28 9.14 2r5cA1 THR 340 HA 0.19 0.14 0.77 -0.75 4.39 4.73 2r5cA1 THR 340 HB -0.01 -0.01 0.24 -0.04 4.32 4.49 2r5cA1 THR 340 HG23 -0.12 -0.03 -0.40 -0.04 1.22 0.63 2r5cA1 VAL 341 H 0.08 0.67 0.23 -0.55 8.24 8.67 2r5cA1 VAL 341 HA 0.01 0.11 0.43 -0.75 4.13 3.92 2r5cA1 VAL 341 HB 0.05 -0.11 0.19 -0.04 2.12 2.21 2r5cA1 VAL 341 HG13 -0.01 0.01 -0.12 -0.04 0.97 0.81 2r5cA1 VAL 341 HG23 0.00 0.03 -0.00 -0.04 0.95 0.94 2r5cA1 PRO 342 HA 0.01 -0.07 0.64 -0.51 4.44 4.51 2r5cA1 PRO 342 HB2 0.20 0.11 0.16 -0.04 2.28 2.71 2r5cA1 PRO 342 HB3 0.10 0.24 0.30 -0.04 2.02 2.62 2r5cA1 PRO 342 HG2 0.37 -0.05 0.04 -0.04 2.03 2.36 2r5cA1 PRO 342 HG3 0.37 0.23 0.12 -0.04 2.03 2.71 2r5cA1 PRO 342 HD2 -0.02 0.00 0.22 -0.04 3.68 3.85 2r5cA1 PRO 342 HD3 0.07 0.29 0.39 -0.04 3.65 4.36 2r5cA1 GLN 343 H -0.07 0.09 0.17 -0.55 8.47 8.11 2r5cA1 GLN 343 HA 0.02 0.13 0.68 -0.75 4.36 4.43 2r5cA1 GLN 343 HB2 -0.23 0.01 0.25 -0.04 2.15 2.14 2r5cA1 GLN 343 HB3 -0.46 -0.01 0.13 -0.04 2.02 1.63 2r5cA1 GLN 343 HG2 -2.14 0.06 0.08 -0.04 2.40 0.36 2r5cA1 GLN 343 HG3 -0.46 -0.03 0.07 -0.04 2.39 1.93 2r5cA1 GLN 343 HE21 -0.19 0.10 0.06 -0.04 6.97 6.89 2r5cA1 GLN 343 HE22 -0.91 0.03 0.06 -0.04 7.69 6.83 2r5cA1 GLY 344 H 0.03 0.25 0.09 -0.55 8.43 8.26 2r5cA1 GLY 344 HA2 -0.65 0.25 0.64 -0.51 4.01 3.74 2r5cA1 GLY 344 HA3 -0.20 -0.09 0.27 -0.51 4.01 3.48 2r5cA1 GLY 345 H -0.47 0.45 0.17 -0.55 8.43 8.03 2r5cA1 GLY 345 HA2 -0.61 -0.02 0.29 -0.51 4.01 3.16 2r5cA1 GLY 345 HA3 -0.61 0.01 0.39 -0.51 4.01 3.30 2r5cA1 TYR 346 H -1.20 0.04 0.08 -0.55 8.29 6.67 2r5cA1 TYR 346 HA -0.94 0.34 0.90 -0.75 4.56 4.11 2r5cA1 TYR 346 HB2 -0.84 -0.17 0.14 -0.04 3.06 2.15 2r5cA1 TYR 346 HB3 -0.64 0.10 -0.11 -0.04 2.98 2.29 2r5cA1 TYR 346 HD2 -1.00 0.05 -0.25 -0.04 7.15 5.91 2r5cA1 TYR 346 HE2 -0.33 -0.00 -0.09 -0.04 6.85 6.38 2r5cA1 PHE 347 H -0.24 0.11 0.07 -0.55 8.34 7.73 2r5cA1 PHE 347 HA 0.01 0.28 1.13 -0.75 4.62 5.29 2r5cA1 PHE 347 HB2 -0.14 -0.02 0.08 -0.04 3.15 3.03 2r5cA1 PHE 347 HB3 -0.01 0.07 0.03 -0.04 3.06 3.11 2r5cA1 PHE 347 HD2 -0.12 0.07 -0.11 -0.04 7.28 7.08 2r5cA1 PHE 347 HE2 0.05 0.02 -0.16 -0.04 7.38 7.25 2r5cA1 PHE 347 HZ 0.14 -0.05 -0.02 -0.04 7.32 7.34 2r5cA1 MET 348 H 0.37 0.66 0.34 -0.55 8.47 9.29 2r5cA1 MET 348 HA 0.19 0.25 0.88 -0.75 4.52 5.09 2r5cA1 MET 348 HB2 0.38 -0.00 -0.12 -0.04 2.15 2.37 2r5cA1 MET 348 HB3 0.34 -0.07 0.04 -0.04 2.03 2.30 2r5cA1 MET 348 HG2 0.18 -0.08 -0.37 -0.04 2.63 2.31 2r5cA1 MET 348 HG3 0.12 0.33 0.04 -0.04 2.56 3.01 2r5cA1 MET 348 HE3 -0.18 0.01 0.01 -0.04 2.10 1.90 2r5cA1 VAL 349 H 0.03 0.30 0.20 -0.55 8.24 8.22 2r5cA1 VAL 349 HA 0.11 0.28 1.02 -0.75 4.13 4.80 2r5cA1 VAL 349 HB -0.23 0.02 0.16 -0.04 2.12 2.03 2r5cA1 VAL 349 HG13 -0.01 -0.02 -0.15 -0.04 0.97 0.75 2r5cA1 VAL 349 HG23 -0.11 0.01 -0.17 -0.04 0.95 0.64 2r5cA1 ALA 350 H 0.26 0.61 0.33 -0.55 8.40 9.05 2r5cA1 ALA 350 HA 0.30 0.21 0.85 -0.75 4.34 4.95 2r5cA1 ALA 350 HB3 0.29 0.02 -0.18 -0.04 1.41 1.50 2r5cA1 ASP 351 H 0.19 0.57 0.05 -0.55 8.40 8.67 2r5cA1 ASP 351 HA -0.49 0.22 0.68 -0.75 4.63 4.29 2r5cA1 ASP 351 HB2 -0.07 0.05 0.09 -0.04 2.71 2.75 2r5cA1 ASP 351 HB3 -0.06 -0.01 0.28 -0.04 2.70 2.87 2r5cA1 TRP 352 H -0.46 0.58 0.32 -0.55 7.97 7.86 2r5cA1 TRP 352 HA -0.11 0.23 0.78 -0.75 4.62 4.76 2r5cA1 TRP 352 HB2 -0.57 0.01 0.01 -0.04 3.23 2.65 2r5cA1 TRP 352 HB3 -0.18 0.03 -0.11 -0.04 3.23 2.93 2r5cA1 TRP 352 HD1 -0.16 -0.02 -0.29 -0.04 7.22 6.71 2r5cA1 TRP 352 HE1 -0.11 0.15 -0.31 -0.04 10.20 9.89 2r5cA1 TRP 352 HE3 -0.62 -0.07 -0.24 -0.04 7.59 6.62 2r5cA1 TRP 352 HZ2 -0.06 -0.05 -0.32 -0.04 7.44 6.96 2r5cA1 TRP 352 HZ3 -0.21 -0.00 -0.11 -0.04 7.13 6.77 2r5cA1 TRP 352 HH2 -0.08 -0.02 -0.07 -0.04 7.19 6.98 2r5cA1 SER 353 H -0.66 0.16 -0.10 -0.55 8.46 7.32 2r5cA1 SER 353 HA -1.18 0.06 0.16 -0.75 4.49 2.77 2r5cA1 SER 353 HB2 -0.52 0.02 0.09 -0.04 3.95 3.49 2r5cA1 SER 353 HB3 -0.82 -0.01 0.17 -0.04 3.93 3.23 2r5cA1 SER 354 H -0.17 0.17 -0.33 -0.55 8.46 7.58 2r5cA1 SER 354 HA -0.07 0.07 0.62 -0.75 4.49 4.36 2r5cA1 SER 354 HB2 -0.01 0.00 0.16 -0.04 3.95 4.06 2r5cA1 SER 354 HB3 -0.06 -0.09 0.07 -0.04 3.93 3.80 2r5cA1 LEU 355 H 0.05 0.68 -0.26 -0.55 8.37 8.29 2r5cA1 LEU 355 HA 0.22 0.22 0.85 -0.75 4.35 4.89 2r5cA1 LEU 355 HB2 0.30 0.04 -0.00 -0.04 1.64 1.93 2r5cA1 LEU 355 HB3 0.37 -0.02 0.06 -0.04 1.64 2.01 2r5cA1 LEU 355 HG 0.19 -0.04 -0.19 -0.04 1.64 1.56 2r5cA1 LEU 355 HD13 0.16 -0.02 -0.14 -0.04 0.93 0.89 2r5cA1 LEU 355 HD23 0.36 0.06 -0.05 -0.04 0.89 1.22 2r5cA1 ASP 356 H 0.02 0.42 -0.18 -0.55 8.40 8.12 2r5cA1 ASP 356 HA 0.25 0.05 0.17 -0.75 4.63 4.35 2r5cA1 ASP 356 HB2 -0.16 -0.04 0.13 -0.04 2.71 2.60 2r5cA1 ASP 356 HB3 -0.08 0.09 0.11 -0.04 2.70 2.78 2r5cA1 SER 357 H 0.05 0.12 -0.42 -0.55 8.46 7.66 2r5cA1 SER 357 HA 0.02 0.16 0.84 -0.75 4.49 4.75 2r5cA1 SER 357 HB2 0.01 -0.01 0.12 -0.04 3.95 4.03 2r5cA1 SER 357 HB3 0.00 -0.05 0.04 -0.04 3.93 3.89 2r5cA1 LYS 358 H 0.13 0.66 -0.26 -0.55 8.42 8.40 2r5cA1 LYS 358 HA 0.07 0.16 0.83 -0.75 4.32 4.62 2r5cA1 LYS 358 HB2 0.50 0.05 0.08 -0.04 1.87 2.46 2r5cA1 LYS 358 HB3 0.08 -0.03 0.16 -0.04 1.79 1.96 2r5cA1 LYS 358 HG2 0.08 -0.06 -0.21 -0.04 1.46 1.23 2r5cA1 LYS 358 HG3 0.18 -0.08 0.00 -0.04 1.46 1.52 2r5cA1 LYS 358 HD2 0.14 0.04 0.07 -0.04 1.69 1.90 2r5cA1 LYS 358 HD3 0.25 0.03 0.06 -0.04 1.68 1.98 2r5cA1 LYS 358 HE2 -0.02 0.21 0.03 -0.04 2.99 3.17 2r5cA1 LYS 358 HE3 -0.04 -0.07 0.03 -0.04 2.99 2.87 2r5cA1 VAL 359 H 0.01 0.24 -0.20 -0.55 8.24 7.74 2r5cA1 VAL 359 HA -0.23 0.22 0.89 -0.75 4.13 4.26 2r5cA1 VAL 359 HB -1.77 -0.04 -0.09 -0.04 2.12 0.18 2r5cA1 VAL 359 HG13 0.12 0.05 -0.24 -0.04 0.97 0.86 2r5cA1 VAL 359 HG23 -0.11 -0.03 -0.18 -0.04 0.95 0.59 2r5cA1 ASP 360 H -0.68 0.23 0.06 -0.55 8.40 7.46 2r5cA1 ASP 360 HA -0.15 0.16 0.80 -0.75 4.63 4.68 2r5cA1 ASP 360 HB2 0.00 0.09 0.03 -0.04 2.71 2.79 2r5cA1 ASP 360 HB3 0.05 0.04 0.20 -0.04 2.70 2.96 2r5cA1 LEU 361 H -0.15 0.33 0.07 -0.55 8.37 8.07 2r5cA1 LEU 361 HA -0.09 0.18 0.77 -0.75 4.35 4.46 2r5cA1 LEU 361 HB2 -0.03 0.09 0.04 -0.04 1.64 1.70 2r5cA1 LEU 361 HB3 0.02 0.02 0.09 -0.04 1.64 1.72 2r5cA1 LEU 361 HG 0.03 -0.09 -0.18 -0.04 1.64 1.36 2r5cA1 LEU 361 HD13 -0.31 0.04 -0.35 -0.04 0.93 0.26 2r5cA1 LEU 361 HD23 0.11 0.02 -0.06 -0.04 0.89 0.92 2r5cA1 THR 362 H -0.03 0.09 -0.27 -0.55 8.28 7.52 2r5cA1 THR 362 HA 0.01 0.11 0.35 -0.75 4.39 4.10 2r5cA1 THR 362 HB 0.02 -0.00 0.02 -0.04 4.32 4.32 2r5cA1 THR 362 HG23 0.02 0.01 -0.11 -0.04 1.22 1.10 2r5cA1 GLN 363 H 0.06 0.12 -0.36 -0.55 8.47 7.74 2r5cA1 GLN 363 HA 0.04 0.22 0.60 -0.75 4.36 4.47 2r5cA1 GLN 363 HB2 0.09 0.02 0.00 -0.04 2.15 2.22 2r5cA1 GLN 363 HB3 0.06 0.00 0.11 -0.04 2.02 2.15 2r5cA1 GLN 363 HG2 0.05 -0.08 -0.14 -0.04 2.40 2.19 2r5cA1 GLN 363 HG3 0.06 0.02 -0.03 -0.04 2.39 2.40 2r5cA1 GLN 363 HE21 0.03 -0.01 -0.01 -0.04 6.97 6.93 2r5cA1 GLN 363 HE22 0.04 -0.01 0.01 -0.04 7.69 7.69 2r5cA1 GLU 364 H 0.05 0.40 -0.44 -0.55 8.60 8.06 2r5cA1 GLU 364 HA 0.05 0.07 0.70 -0.75 4.29 4.36 2r5cA1 GLU 364 HB2 0.06 0.26 0.16 -0.04 2.09 2.53 2r5cA1 GLU 364 HB3 0.07 -0.16 0.02 -0.04 1.99 1.88 2r5cA1 GLU 364 HG2 0.13 -0.05 -0.08 -0.04 2.34 2.31 2r5cA1 GLU 364 HG3 0.13 0.12 0.08 -0.04 2.34 2.63 2r5cA1 THR 365 H 0.03 0.06 0.14 -0.55 8.28 7.96 2r5cA1 THR 365 HA 0.02 0.32 0.36 -0.75 4.39 4.33 2r5cA1 THR 365 HB 0.00 -0.02 0.08 -0.04 4.32 4.34 2r5cA1 THR 365 HG23 0.02 0.04 -0.17 -0.04 1.22 1.07 2r5cA1 ASP 366 H 0.03 -0.01 -0.10 -0.55 8.40 7.77 2r5cA1 ASP 366 HA -0.05 0.11 0.45 -0.75 4.63 4.38 2r5cA1 ASP 366 HB2 0.08 -0.01 -0.01 -0.04 2.71 2.74 2r5cA1 ASP 366 HB3 -0.14 -0.15 0.07 -0.04 2.70 2.44 2r5cA1 ALA 367 H -0.14 0.09 0.17 -0.55 8.40 7.97 2r5cA1 ALA 367 HA -0.04 0.16 0.35 -0.75 4.34 4.06 2r5cA1 ALA 367 HB3 -0.09 -0.00 0.07 -0.04 1.41 1.34 2r5cA1 ARG 368 H -0.12 -0.02 -0.21 -0.55 8.46 7.56 2r5cA1 ARG 368 HA 0.03 0.34 1.08 -0.75 4.34 5.04 2r5cA1 ARG 368 HB2 -0.01 -0.07 0.04 -0.04 1.90 1.82 2r5cA1 ARG 368 HB3 0.10 -0.05 0.03 -0.04 1.80 1.83 2r5cA1 ARG 368 HG2 -0.08 -0.05 -0.40 -0.04 1.67 1.10 2r5cA1 ARG 368 HG3 -0.08 0.03 -0.10 -0.04 1.67 1.49 2r5cA1 ARG 368 HD2 0.00 0.00 -0.14 -0.04 3.22 3.05 2r5cA1 ARG 368 HD3 0.01 0.06 -0.05 -0.04 3.22 3.20 2r5cA1 LYS 369 H 0.13 0.22 0.17 -0.55 8.42 8.39 2r5cA1 LYS 369 HA 0.20 0.12 0.21 -0.75 4.32 4.09 2r5cA1 LYS 369 HB2 0.20 0.01 0.14 -0.04 1.87 2.18 2r5cA1 LYS 369 HB3 0.43 0.06 0.04 -0.04 1.79 2.28 2r5cA1 LYS 369 HG2 0.12 0.06 -0.02 -0.04 1.46 1.58 2r5cA1 LYS 369 HG3 0.08 0.02 0.05 -0.04 1.46 1.57 2r5cA1 LYS 369 HD2 0.12 0.01 0.00 -0.04 1.69 1.79 2r5cA1 LYS 369 HD3 0.05 0.05 0.00 -0.04 1.68 1.73 2r5cA1 LYS 369 HE2 0.01 0.01 0.02 -0.04 2.99 2.99 2r5cA1 LYS 369 HE3 -0.00 -0.04 -0.00 -0.04 2.99 2.90 2r5cA1 ASP 370 H 0.31 0.03 -0.05 -0.55 8.40 8.14 2r5cA1 ASP 370 HA 0.36 0.18 0.66 -0.75 4.63 5.08 2r5cA1 ASP 370 HB2 0.25 0.14 0.22 -0.04 2.71 3.27 2r5cA1 ASP 370 HB3 0.45 0.19 0.22 -0.04 2.70 3.52 2r5cA1 TYR 371 H 0.41 0.13 -0.26 -0.55 8.29 8.03 2r5cA1 TYR 371 HA 0.12 0.12 0.61 -0.75 4.56 4.65 2r5cA1 TYR 371 HB2 0.05 0.18 0.16 -0.04 3.06 3.40 2r5cA1 TYR 371 HB3 0.06 0.01 -0.03 -0.04 2.98 2.97 2r5cA1 TYR 371 HD2 0.04 -0.04 -0.01 -0.04 7.15 7.10 2r5cA1 TYR 371 HE2 -0.05 -0.00 -0.05 -0.04 6.85 6.71 2r5cA1 ARG 372 H 0.21 0.40 -0.09 -0.55 8.46 8.43 2r5cA1 ARG 372 HA 0.11 -0.03 0.42 -0.75 4.34 4.08 2r5cA1 ARG 372 HB2 0.14 0.15 0.10 -0.04 1.90 2.25 2r5cA1 ARG 372 HB3 0.09 0.03 0.01 -0.04 1.80 1.88 2r5cA1 ARG 372 HG2 0.09 -0.23 -0.12 -0.04 1.67 1.36 2r5cA1 ARG 372 HG3 0.12 0.11 -0.16 -0.04 1.67 1.69 2r5cA1 ARG 372 HD2 0.09 -0.06 -0.06 -0.04 3.22 3.14 2r5cA1 ARG 372 HD3 0.06 0.18 -0.05 -0.04 3.22 3.36 2r5cA1 PHE 373 H 0.11 0.50 -0.21 -0.55 8.34 8.19 2r5cA1 PHE 373 HA -0.21 0.05 0.29 -0.75 4.62 3.99 2r5cA1 PHE 373 HB2 -1.27 0.03 0.05 -0.04 3.15 1.93 2r5cA1 PHE 373 HB3 -0.82 0.02 0.16 -0.04 3.06 2.38 2r5cA1 PHE 373 HD2 -0.84 0.01 -0.12 -0.04 7.28 6.29 2r5cA1 PHE 373 HE2 -0.29 0.02 -0.15 -0.04 7.38 6.92 2r5cA1 PHE 373 HZ -0.10 0.04 -0.13 -0.04 7.32 7.09 2r5cA1 THR 374 H -0.06 0.42 -0.24 -0.55 8.28 7.86 2r5cA1 THR 374 HA -0.41 0.04 0.39 -0.75 4.39 3.66 2r5cA1 THR 374 HB -0.09 0.13 0.05 -0.04 4.32 4.37 2r5cA1 THR 374 HG23 0.04 -0.01 0.03 -0.04 1.22 1.24 2r5cA1 LYS 375 H -0.00 0.46 -0.25 -0.55 8.42 8.06 2r5cA1 LYS 375 HA -0.13 0.06 0.54 -0.75 4.32 4.05 2r5cA1 LYS 375 HB2 -0.00 0.04 0.15 -0.04 1.87 2.01 2r5cA1 LYS 375 HB3 -0.11 -0.02 0.02 -0.04 1.79 1.64 2r5cA1 LYS 375 HG2 -0.28 -0.02 -0.00 -0.04 1.46 1.11 2r5cA1 LYS 375 HG3 0.04 0.23 0.08 -0.04 1.46 1.77 2r5cA1 LYS 375 HD2 -0.00 -0.08 -0.03 -0.04 1.69 1.54 2r5cA1 LYS 375 HD3 -0.14 0.02 -0.00 -0.04 1.68 1.51 2r5cA1 LYS 375 HE2 -0.69 0.03 -0.05 -0.04 2.99 2.24 2r5cA1 LYS 375 HE3 0.01 -0.05 -0.01 -0.04 2.99 2.90 2r5cA1 TRP 376 H 0.08 0.67 0.04 -0.55 7.97 8.21 2r5cA1 TRP 376 HA -0.16 -0.00 0.51 -0.75 4.62 4.21 2r5cA1 TRP 376 HB2 -0.09 -0.02 0.10 -0.04 3.23 3.18 2r5cA1 TRP 376 HB3 -0.21 0.07 0.09 -0.04 3.23 3.13 2r5cA1 TRP 376 HD1 -0.02 -0.03 0.07 -0.04 7.22 7.19 2r5cA1 TRP 376 HE1 0.05 -0.00 0.06 -0.04 10.20 10.26 2r5cA1 TRP 376 HE3 -0.41 0.08 -0.16 -0.04 7.59 7.06 2r5cA1 TRP 376 HZ2 0.25 0.06 0.03 -0.04 7.44 7.73 2r5cA1 TRP 376 HZ3 -0.46 0.03 -0.09 -0.04 7.13 6.57 2r5cA1 TRP 376 HH2 0.31 0.12 -0.03 -0.04 7.19 7.55 2r5cA1 MET 377 H -0.25 0.59 -0.19 -0.55 8.47 8.08 2r5cA1 MET 377 HA -0.89 0.00 0.54 -0.75 4.52 3.42 2r5cA1 MET 377 HB2 -0.58 0.11 0.17 -0.04 2.15 1.80 2r5cA1 MET 377 HB3 -0.37 0.21 0.05 -0.04 2.03 1.88 2r5cA1 MET 377 HG2 -0.49 -0.03 0.02 -0.04 2.63 2.09 2r5cA1 MET 377 HG3 -0.60 0.00 -0.03 -0.04 2.56 1.90 2r5cA1 MET 377 HE3 -0.21 -0.02 -0.09 -0.04 2.10 1.74 2r5cA1 THR 378 H -0.29 0.39 -0.18 -0.55 8.28 7.64 2r5cA1 THR 378 HA -0.23 -0.08 0.39 -0.75 4.39 3.72 2r5cA1 THR 378 HB -0.29 0.12 0.17 -0.04 4.32 4.29 2r5cA1 THR 378 HG23 -0.22 -0.02 -0.22 -0.04 1.22 0.72 2r5cA1 LYS 379 H -0.49 0.48 -0.10 -0.55 8.42 7.75 2r5cA1 LYS 379 HA -0.77 0.07 0.41 -0.75 4.32 3.28 2r5cA1 LYS 379 HB2 -0.37 0.02 0.08 -0.04 1.87 1.56 2r5cA1 LYS 379 HB3 -0.35 -0.04 0.05 -0.04 1.79 1.42 2r5cA1 LYS 379 HG2 -1.21 -0.05 -0.00 -0.04 1.46 0.16 2r5cA1 LYS 379 HG3 -0.57 0.24 0.10 -0.04 1.46 1.19 2r5cA1 LYS 379 HD2 -0.16 -0.06 -0.29 -0.04 1.69 1.14 2r5cA1 LYS 379 HD3 -0.12 -0.01 -0.05 -0.04 1.68 1.46 2r5cA1 LYS 379 HE2 0.00 0.01 -0.03 -0.04 2.99 2.94 2r5cA1 LYS 379 HE3 -0.16 -0.03 -0.03 -0.04 2.99 2.73 2r5cA1 SER 380 H -0.74 0.53 -0.08 -0.55 8.46 7.63 2r5cA1 SER 380 HA -0.33 0.12 0.62 -0.75 4.49 4.15 2r5cA1 SER 380 HB2 -1.02 -0.10 0.08 -0.04 3.95 2.87 2r5cA1 SER 380 HB3 -2.12 0.11 0.12 -0.04 3.93 1.99 2r5cA1 VAL 381 H -0.53 0.38 0.08 -0.55 8.24 7.62 2r5cA1 VAL 381 HA -0.15 0.24 0.89 -0.75 4.13 4.36 2r5cA1 VAL 381 HB -0.09 -0.01 0.16 -0.04 2.12 2.14 2r5cA1 VAL 381 HG13 -0.02 -0.01 -0.14 -0.04 0.97 0.76 2r5cA1 VAL 381 HG23 -0.40 -0.03 -0.06 -0.04 0.95 0.40 2r5cA1 GLY 382 H -0.27 0.28 0.02 -0.55 8.43 7.92 2r5cA1 GLY 382 HA2 -0.11 0.19 0.37 -0.51 4.01 3.95 2r5cA1 GLY 382 HA3 -0.08 0.04 0.15 -0.51 4.01 3.62 2r5cA1 LEU 383 H -0.20 0.34 -0.20 -0.55 8.37 7.77 2r5cA1 LEU 383 HA -0.06 0.24 0.75 -0.75 4.35 4.52 2r5cA1 LEU 383 HB2 -0.12 0.10 -0.07 -0.04 1.64 1.51 2r5cA1 LEU 383 HB3 -0.15 -0.04 -0.02 -0.04 1.64 1.39 2r5cA1 LEU 383 HG -0.05 -0.04 -0.22 -0.04 1.64 1.30 2r5cA1 LEU 383 HD13 -0.08 0.05 0.06 -0.04 0.93 0.93 2r5cA1 LEU 383 HD23 -0.19 -0.00 -0.07 -0.04 0.89 0.59 2r5cA1 GLN 384 H 0.01 0.58 0.16 -0.55 8.47 8.67 2r5cA1 GLN 384 HA -0.01 0.20 0.93 -0.75 4.36 4.73 2r5cA1 GLN 384 HB2 0.01 0.04 -0.06 -0.04 2.15 2.10 2r5cA1 GLN 384 HB3 0.05 -0.18 0.08 -0.04 2.02 1.94 2r5cA1 GLN 384 HG2 0.11 -0.09 -0.19 -0.04 2.40 2.19 2r5cA1 GLN 384 HG3 0.11 0.11 0.09 -0.04 2.39 2.66 2r5cA1 GLN 384 HE21 0.18 0.40 0.11 -0.04 6.97 7.61 2r5cA1 GLN 384 HE22 0.21 -0.10 -0.08 -0.04 7.69 7.68 2r5cA1 GLY 385 H 0.02 0.21 0.17 -0.55 8.43 8.28 2r5cA1 GLY 385 HA2 0.09 0.19 0.64 -0.51 4.01 4.43 2r5cA1 GLY 385 HA3 -0.20 0.01 0.28 -0.51 4.01 3.59 2r5cA1 ILE 386 H -0.22 0.44 0.32 -0.55 8.25 8.25 2r5cA1 ILE 386 HA -0.59 0.20 0.86 -0.75 4.18 3.90 2r5cA1 ILE 386 HB -0.05 0.05 0.06 -0.04 1.89 1.91 2r5cA1 ILE 386 HG12 -0.00 -0.03 -0.38 -0.04 1.49 1.03 2r5cA1 ILE 386 HG13 0.27 0.08 -0.07 -0.04 1.21 1.45 2r5cA1 ILE 386 HG23 -0.09 -0.04 -0.21 -0.04 0.93 0.55 2r5cA1 ILE 386 HD13 -0.34 0.00 -0.04 -0.04 0.88 0.46 2r5cA1 PRO 387 HA -0.15 0.32 0.85 -0.51 4.44 4.94 2r5cA1 PRO 387 HB2 -0.34 -0.15 -0.08 -0.04 2.28 1.67 2r5cA1 PRO 387 HB3 -0.33 0.16 -0.34 -0.04 2.02 1.47 2r5cA1 PRO 387 HG2 -1.20 -0.06 0.12 -0.04 2.03 0.85 2r5cA1 PRO 387 HG3 -1.63 0.04 0.05 -0.04 2.03 0.45 2r5cA1 PRO 387 HD2 -1.10 0.06 0.17 -0.04 3.68 2.77 2r5cA1 PRO 387 HD3 -1.21 0.22 0.16 -0.04 3.65 2.78 2r5cA1 PRO 388 HA 0.14 0.09 0.34 -0.51 4.44 4.49 2r5cA1 PRO 388 HB2 0.23 0.07 0.01 -0.04 2.28 2.55 2r5cA1 PRO 388 HB3 0.16 0.04 0.01 -0.04 2.02 2.19 2r5cA1 PRO 388 HG2 0.28 -0.00 -0.26 -0.04 2.03 2.00 2r5cA1 PRO 388 HG3 0.11 0.03 -0.15 -0.04 2.03 1.98 2r5cA1 PRO 388 HD2 0.17 0.27 0.16 -0.04 3.68 4.24 2r5cA1 PRO 388 HD3 0.02 0.28 0.38 -0.04 3.65 4.30 2r5cA1 SER 389 H 0.04 0.15 -0.27 -0.55 8.46 7.85 2r5cA1 SER 389 HA 0.15 0.09 0.35 -0.75 4.49 4.33 2r5cA1 SER 389 HB2 0.01 0.05 0.09 -0.04 3.95 4.06 2r5cA1 SER 389 HB3 0.06 0.01 -0.10 -0.04 3.93 3.86 2r5cA1 ALA 390 H -0.37 0.36 -0.44 -0.55 8.40 7.41 2r5cA1 ALA 390 HA -0.16 0.06 0.44 -0.75 4.34 3.93 2r5cA1 ALA 390 HB3 -0.78 -0.00 0.10 -0.04 1.41 0.69 2r5cA1 PHE 391 H -0.46 0.45 -0.49 -0.55 8.34 7.29 2r5cA1 PHE 391 HA -0.70 0.14 0.71 -0.75 4.62 4.02 2r5cA1 PHE 391 HB2 -0.42 0.06 0.14 -0.04 3.15 2.89 2r5cA1 PHE 391 HB3 -0.53 0.15 0.20 -0.04 3.06 2.84 2r5cA1 PHE 391 HD2 -0.20 0.04 -0.06 -0.04 7.28 7.02 2r5cA1 PHE 391 HE2 -0.24 -0.06 -0.15 -0.04 7.38 6.89 2r5cA1 PHE 391 HZ -0.26 -0.02 -0.12 -0.04 7.32 6.88 2r5cA1 TYR 392 H -0.16 0.47 -0.26 -0.55 8.29 7.79 2r5cA1 TYR 392 HA -0.42 0.09 0.87 -0.75 4.56 4.34 2r5cA1 TYR 392 HB2 -0.15 0.03 -0.09 -0.04 3.06 2.81 2r5cA1 TYR 392 HB3 -0.14 -0.02 -0.24 -0.04 2.98 2.54 2r5cA1 TYR 392 HD2 -0.10 -0.01 -0.12 -0.04 7.15 6.88 2r5cA1 TYR 392 HE2 -0.01 0.01 -0.19 -0.04 6.85 6.61 2r5cA1 SER 393 H -0.13 0.09 0.05 -0.55 8.46 7.93 2r5cA1 SER 393 HA -0.18 0.13 0.55 -0.75 4.49 4.23 2r5cA1 SER 393 HB2 -0.45 0.06 0.05 -0.04 3.95 3.57 2r5cA1 SER 393 HB3 -1.96 0.06 0.06 -0.04 3.93 2.04 2r5cA1 GLU 394 H -0.04 0.18 0.13 -0.55 8.60 8.31 2r5cA1 GLU 394 HA -0.01 0.05 0.32 -0.75 4.29 3.89 2r5cA1 GLU 394 HB2 -0.00 0.04 0.15 -0.04 2.09 2.24 2r5cA1 GLU 394 HB3 0.00 0.03 0.16 -0.04 1.99 2.13 2r5cA1 GLU 394 HG2 0.00 0.03 0.01 -0.04 2.34 2.34 2r5cA1 GLU 394 HG3 0.00 0.02 -0.15 -0.04 2.34 2.17 2r5cA1 PRO 395 HA 0.04 0.09 0.30 -0.51 4.44 4.37 2r5cA1 PRO 395 HB2 0.06 0.05 0.05 -0.04 2.28 2.39 2r5cA1 PRO 395 HB3 0.03 0.03 0.08 -0.04 2.02 2.12 2r5cA1 PRO 395 HG2 0.04 0.04 -0.08 -0.04 2.03 1.99 2r5cA1 PRO 395 HG3 0.05 0.08 0.01 -0.04 2.03 2.12 2r5cA1 PRO 395 HD2 -0.05 -0.07 -0.38 -0.04 3.68 3.14 2r5cA1 PRO 395 HD3 0.01 0.13 0.06 -0.04 3.65 3.81 2r5cA1 ASN 396 H 0.00 0.60 -0.42 -0.55 8.53 8.17 2r5cA1 ASN 396 HA -0.02 0.22 0.97 -0.75 4.76 5.17 2r5cA1 ASN 396 HB2 0.07 -0.02 0.02 -0.04 2.88 2.91 2r5cA1 ASN 396 HB3 0.06 -0.04 0.07 -0.04 2.79 2.83 2r5cA1 ASN 396 HD21 0.13 0.10 -0.09 -0.04 7.03 7.13 2r5cA1 ASN 396 HD22 0.12 -0.08 -0.08 -0.04 7.74 7.66 2r5cA1 LYS 397 H -0.03 0.55 -0.09 -0.55 8.42 8.29 2r5cA1 LYS 397 HA -0.22 0.01 0.40 -0.75 4.32 3.75 2r5cA1 LYS 397 HB2 -0.02 0.19 0.09 -0.04 1.87 2.10 2r5cA1 LYS 397 HB3 -0.03 -0.13 -0.03 -0.04 1.79 1.56 2r5cA1 LYS 397 HG2 -0.01 0.13 0.00 -0.04 1.46 1.55 2r5cA1 LYS 397 HG3 -0.01 0.10 -0.31 -0.04 1.46 1.20 2r5cA1 LYS 397 HD2 -0.03 0.01 0.01 -0.04 1.69 1.64 2r5cA1 LYS 397 HD3 -0.04 -0.12 -0.05 -0.04 1.68 1.42 2r5cA1 LYS 397 HE2 -0.01 -0.06 -0.11 -0.04 2.99 2.78 2r5cA1 LYS 397 HE3 -0.03 -0.06 -0.02 -0.04 2.99 2.84 2r5cA1 HIS 398 H 0.02 0.22 -0.48 -0.55 8.41 7.63 2r5cA1 HIS 398 HA -0.07 0.01 0.46 -0.75 4.63 4.27 2r5cA1 HIS 398 HB2 -0.06 0.00 0.08 -0.04 3.26 3.24 2r5cA1 HIS 398 HB3 -0.06 0.03 0.05 -0.04 3.20 3.18 2r5cA1 HIS 398 HD2 -0.06 0.18 0.01 -0.04 6.97 7.05 2r5cA1 HIS 398 HE1 -0.04 -0.00 -0.04 -0.04 7.75 7.63 2r5cA1 LEU 399 H -0.75 0.60 -0.26 -0.55 8.37 7.41 2r5cA1 LEU 399 HA -0.21 0.09 0.51 -0.75 4.35 3.99 2r5cA1 LEU 399 HB2 -0.79 0.10 0.06 -0.04 1.64 0.98 2r5cA1 LEU 399 HB3 -0.22 0.02 0.06 -0.04 1.64 1.46 2r5cA1 LEU 399 HG -1.05 -0.05 0.04 -0.04 1.64 0.54 2r5cA1 LEU 399 HD13 -0.08 0.00 0.01 -0.04 0.93 0.83 2r5cA1 LEU 399 HD23 -0.11 0.00 -0.01 -0.04 0.89 0.73 2r5cA1 GLY 400 H -0.52 0.29 -0.27 -0.55 8.43 7.39 2r5cA1 GLY 400 HA2 0.20 0.23 0.77 -0.51 4.01 4.69 2r5cA1 GLY 400 HA3 -0.01 -0.01 0.11 -0.51 4.01 3.59 2r5cA1 GLU 401 H 0.02 0.33 -0.25 -0.55 8.60 8.16 2r5cA1 GLU 401 HA 0.18 -0.04 0.44 -0.75 4.29 4.12 2r5cA1 GLU 401 HB2 0.01 0.20 0.10 -0.04 2.09 2.36 2r5cA1 GLU 401 HB3 0.08 -0.07 0.11 -0.04 1.99 2.07 2r5cA1 GLU 401 HG2 0.10 -0.22 0.05 -0.04 2.34 2.23 2r5cA1 GLU 401 HG3 0.02 0.29 0.04 -0.04 2.34 2.65 2r5cA1 ASP 402 H -0.03 0.18 -0.23 -0.55 8.40 7.77 2r5cA1 ASP 402 HA -0.95 0.13 0.66 -0.75 4.63 3.71 2r5cA1 ASP 402 HB2 -0.84 0.10 0.02 -0.04 2.71 1.94 2r5cA1 ASP 402 HB3 -0.91 -0.12 0.18 -0.04 2.70 1.80 2r5cA1 PHE 403 H 0.31 0.21 -0.55 -0.55 8.34 7.75 2r5cA1 PHE 403 HA 0.24 0.34 0.98 -0.75 4.62 5.42 2r5cA1 PHE 403 HB2 0.17 0.04 -0.02 -0.04 3.15 3.29 2r5cA1 PHE 403 HB3 0.17 -0.01 -0.02 -0.04 3.06 3.17 2r5cA1 PHE 403 HD2 0.15 -0.10 -0.33 -0.04 7.28 6.95 2r5cA1 PHE 403 HE2 0.16 0.11 -0.03 -0.04 7.38 7.57 2r5cA1 PHE 403 HZ -0.04 0.03 -0.01 -0.04 7.32 7.26 2r5cA1 VAL 404 H 0.38 0.42 0.34 -0.55 8.24 8.83 2r5cA1 VAL 404 HA 0.07 0.14 0.76 -0.75 4.13 4.35 2r5cA1 VAL 404 HB 0.21 0.03 -0.20 -0.04 2.12 2.11 2r5cA1 VAL 404 HG13 0.24 0.06 -0.07 -0.04 0.97 1.16 2r5cA1 VAL 404 HG23 -0.37 0.02 -0.10 -0.04 0.95 0.45 2r5cA1 ARG 405 H -0.14 0.56 0.33 -0.55 8.46 8.65 2r5cA1 ARG 405 HA -0.01 0.33 1.05 -0.75 4.34 4.96 2r5cA1 ARG 405 HB2 0.00 -0.06 -0.01 -0.04 1.90 1.79 2r5cA1 ARG 405 HB3 -0.05 -0.08 0.11 -0.04 1.80 1.74 2r5cA1 ARG 405 HG2 0.02 0.11 -0.20 -0.04 1.67 1.55 2r5cA1 ARG 405 HG3 -0.08 0.03 -0.09 -0.04 1.67 1.50 2r5cA1 ARG 405 HD2 -0.99 -0.06 -0.09 -0.04 3.22 2.04 2r5cA1 ARG 405 HD3 -0.23 -0.04 -0.11 -0.04 3.22 2.79 2r5cA1 TYR 406 H 0.18 0.65 0.35 -0.55 8.29 8.92 2r5cA1 TYR 406 HA 0.16 0.25 0.90 -0.75 4.56 5.12 2r5cA1 TYR 406 HB2 0.21 -0.01 0.03 -0.04 3.06 3.25 2r5cA1 TYR 406 HB3 0.21 0.06 -0.01 -0.04 2.98 3.20 2r5cA1 TYR 406 HD2 0.14 0.06 -0.06 -0.04 7.15 7.25 2r5cA1 TYR 406 HE2 0.11 -0.00 -0.28 -0.04 6.85 6.64 2r5cA1 CYS 407 H 0.30 0.54 0.27 -0.55 8.50 9.06 2r5cA1 CYS 407 HA 0.12 0.22 0.96 -0.75 4.58 5.13 2r5cA1 CYS 407 HB2 0.35 -0.06 -0.18 -0.04 2.97 3.03 2r5cA1 CYS 407 HB3 0.07 0.07 -0.03 -0.04 2.97 3.03 2r5cA1 PHE 408 H -0.44 0.49 0.16 -0.55 8.34 7.99 2r5cA1 PHE 408 HA 0.13 0.23 0.89 -0.75 4.62 5.12 2r5cA1 PHE 408 HB2 0.11 -0.02 0.04 -0.04 3.15 3.25 2r5cA1 PHE 408 HB3 0.11 0.02 -0.11 -0.04 3.06 3.04 2r5cA1 PHE 408 HD2 0.10 -0.04 -0.24 -0.04 7.28 7.05 2r5cA1 PHE 408 HE2 0.13 0.07 -0.27 -0.04 7.38 7.27 2r5cA1 PHE 408 HZ 0.24 0.17 -0.11 -0.04 7.32 7.58 2r5cA1 PHE 409 H -0.19 0.13 -0.15 -0.55 8.34 7.58 2r5cA1 PHE 409 HA -0.03 0.12 0.63 -0.75 4.62 4.58 2r5cA1 PHE 409 HB2 -0.75 -0.01 0.03 -0.04 3.15 2.38 2r5cA1 PHE 409 HB3 -0.55 0.03 -0.06 -0.04 3.06 2.44 2r5cA1 PHE 409 HD2 -0.47 0.03 -0.10 -0.04 7.28 6.69 2r5cA1 PHE 409 HE2 -0.01 -0.00 -0.06 -0.04 7.38 7.27 2r5cA1 PHE 409 HZ 0.03 0.03 -0.05 -0.04 7.32 7.29 2r5cA1 LYS 410 H 0.31 0.63 -0.09 -0.55 8.42 8.72 2r5cA1 LYS 410 HA 0.10 -0.03 0.95 -0.75 4.32 4.59 2r5cA1 LYS 410 HB2 0.16 0.04 -0.14 -0.04 1.87 1.89 2r5cA1 LYS 410 HB3 0.09 -0.06 -0.03 -0.04 1.79 1.75 2r5cA1 LYS 410 HG2 0.07 -0.12 -0.70 -0.04 1.46 0.68 2r5cA1 LYS 410 HG3 0.09 0.08 -0.13 -0.04 1.46 1.47 2r5cA1 LYS 410 HD2 -0.01 0.05 0.02 -0.04 1.69 1.71 2r5cA1 LYS 410 HD3 -0.04 -0.16 0.10 -0.04 1.68 1.54 2r5cA1 LYS 410 HE2 -0.15 -0.01 -0.19 -0.04 2.99 2.59 2r5cA1 LYS 410 HE3 -0.05 0.01 -0.03 -0.04 2.99 2.87 2r5cA1 LYS 411 H 0.21 0.11 0.13 -0.55 8.42 8.32 2r5cA1 LYS 411 HA -0.10 0.06 0.42 -0.75 4.32 3.96 2r5cA1 LYS 411 HB2 0.05 0.01 0.13 -0.04 1.87 2.01 2r5cA1 LYS 411 HB3 -0.01 -0.11 -0.00 -0.04 1.79 1.62 2r5cA1 LYS 411 HG2 -0.04 0.02 0.05 -0.04 1.46 1.45 2r5cA1 LYS 411 HG3 0.17 -0.01 0.02 -0.04 1.46 1.60 2r5cA1 LYS 411 HD2 0.04 0.07 0.03 -0.04 1.69 1.78 2r5cA1 LYS 411 HD3 0.01 -0.03 0.02 -0.04 1.68 1.64 2r5cA1 LYS 411 HE2 0.02 -0.04 0.01 -0.04 2.99 2.94 2r5cA1 LYS 411 HE3 0.06 0.09 -0.08 -0.04 2.99 3.03 2r5cA1 ASP 412 H -0.09 0.16 0.22 -0.55 8.40 8.14 2r5cA1 ASP 412 HA -0.07 0.16 0.45 -0.75 4.63 4.42 2r5cA1 ASP 412 HB2 -0.08 -0.05 0.19 -0.04 2.71 2.72 2r5cA1 ASP 412 HB3 -0.11 0.05 0.05 -0.04 2.70 2.65 2r5cA1 GLU 413 H -0.04 0.08 -0.14 -0.55 8.60 7.95 2r5cA1 GLU 413 HA -0.03 0.11 0.39 -0.75 4.29 4.01 2r5cA1 GLU 413 HB2 -0.01 0.06 0.06 -0.04 2.09 2.17 2r5cA1 GLU 413 HB3 -0.02 0.02 0.08 -0.04 1.99 2.03 2r5cA1 GLU 413 HG2 -0.00 -0.04 -0.06 -0.04 2.34 2.20 2r5cA1 GLU 413 HG3 -0.01 0.08 -0.04 -0.04 2.34 2.33 2r5cA1 ASN 414 H 0.01 0.23 -0.31 -0.55 8.53 7.91 2r5cA1 ASN 414 HA 0.01 0.11 0.57 -0.75 4.76 4.69 2r5cA1 ASN 414 HB2 0.05 0.02 0.08 -0.04 2.88 2.98 2r5cA1 ASN 414 HB3 0.03 0.06 -0.01 -0.04 2.79 2.83 2r5cA1 ASN 414 HD21 0.02 0.05 0.04 -0.04 7.03 7.10 2r5cA1 ASN 414 HD22 0.03 -0.08 0.07 -0.04 7.74 7.73 2r5cA1 LEU 415 H 0.05 0.47 -0.12 -0.55 8.37 8.22 2r5cA1 LEU 415 HA 0.18 0.08 0.59 -0.75 4.35 4.45 2r5cA1 LEU 415 HB2 0.00 0.14 0.16 -0.04 1.64 1.90 2r5cA1 LEU 415 HB3 0.31 -0.03 0.01 -0.04 1.64 1.89 2r5cA1 LEU 415 HG 0.15 0.09 -0.10 -0.04 1.64 1.74 2r5cA1 LEU 415 HD13 0.17 0.01 0.08 -0.04 0.93 1.16 2r5cA1 LEU 415 HD23 0.30 -0.01 0.00 -0.04 0.89 1.14 2r5cA1 GLN 416 H 0.02 0.29 -0.25 -0.55 8.47 7.98 2r5cA1 GLN 416 HA 0.21 0.06 0.43 -0.75 4.36 4.31 2r5cA1 GLN 416 HB2 0.00 0.07 0.16 -0.04 2.15 2.34 2r5cA1 GLN 416 HB3 0.04 -0.02 0.01 -0.04 2.02 2.02 2r5cA1 GLN 416 HG2 0.04 -0.01 0.01 -0.04 2.40 2.41 2r5cA1 GLN 416 HG3 -0.11 0.23 0.04 -0.04 2.39 2.51 2r5cA1 GLN 416 HE21 -0.04 -0.02 -0.04 -0.04 6.97 6.83 2r5cA1 GLN 416 HE22 -0.12 -0.00 -0.08 -0.04 7.69 7.45 2r5cA1 LYS 417 H -0.01 0.46 -0.08 -0.55 8.42 8.24 2r5cA1 LYS 417 HA -0.03 0.03 0.57 -0.75 4.32 4.13 2r5cA1 LYS 417 HB2 -0.02 0.07 0.22 -0.04 1.87 2.10 2r5cA1 LYS 417 HB3 -0.04 0.04 -0.03 -0.04 1.79 1.72 2r5cA1 LYS 417 HG2 -0.02 0.01 0.07 -0.04 1.46 1.48 2r5cA1 LYS 417 HG3 -0.01 -0.04 0.07 -0.04 1.46 1.44 2r5cA1 LYS 417 HD2 -0.01 -0.01 -0.02 -0.04 1.69 1.62 2r5cA1 LYS 417 HD3 -0.01 0.03 0.03 -0.04 1.68 1.69 2r5cA1 LYS 417 HE2 -0.01 0.02 0.01 -0.04 2.99 2.98 2r5cA1 LYS 417 HE3 -0.01 -0.04 0.00 -0.04 2.99 2.91 2r5cA1 ALA 418 H -0.10 0.35 -0.39 -0.55 8.40 7.71 2r5cA1 ALA 418 HA -0.18 0.10 0.54 -0.75 4.34 4.04 2r5cA1 ALA 418 HB3 -0.21 0.05 0.08 -0.04 1.41 1.29 2r5cA1 ALA 419 H -0.39 0.33 -0.20 -0.55 8.40 7.59 2r5cA1 ALA 419 HA -0.93 0.07 0.42 -0.75 4.34 3.15 2r5cA1 ALA 419 HB3 -0.18 0.05 0.13 -0.04 1.41 1.36 2r5cA1 GLU 420 H -0.12 0.33 -0.23 -0.55 8.60 8.03 2r5cA1 GLU 420 HA -0.03 0.11 0.93 -0.75 4.29 4.54 2r5cA1 GLU 420 HB2 -0.00 -0.03 0.10 -0.04 2.09 2.11 2r5cA1 GLU 420 HB3 -0.01 0.02 0.06 -0.04 1.99 2.02 2r5cA1 GLU 420 HG2 -0.04 0.12 0.14 -0.04 2.34 2.51 2r5cA1 GLU 420 HG3 -0.02 0.01 -0.13 -0.04 2.34 2.15 2r5cA1 ILE 421 H -0.10 0.55 -0.08 -0.55 8.25 8.07 2r5cA1 ILE 421 HA -0.01 0.05 0.62 -0.75 4.18 4.08 2r5cA1 ILE 421 HB -0.11 0.03 0.19 -0.04 1.89 1.95 2r5cA1 ILE 421 HG12 -0.04 -0.01 0.11 -0.04 1.49 1.51 2r5cA1 ILE 421 HG13 -0.05 0.07 0.16 -0.04 1.21 1.35 2r5cA1 ILE 421 HG23 -0.08 -0.00 -0.16 -0.04 0.93 0.65 2r5cA1 ILE 421 HD13 -0.07 -0.01 0.02 -0.04 0.88 0.78 2r5cA1 LEU 422 H -0.10 0.33 -0.43 -0.55 8.37 7.62 2r5cA1 LEU 422 HA 0.11 0.08 0.43 -0.75 4.35 4.22 2r5cA1 LEU 422 HB2 -0.11 0.10 0.10 -0.04 1.64 1.70 2r5cA1 LEU 422 HB3 0.09 -0.01 -0.00 -0.04 1.64 1.68 2r5cA1 LEU 422 HG -0.15 0.10 -0.00 -0.04 1.64 1.55 2r5cA1 LEU 422 HD13 0.00 -0.02 -0.10 -0.04 0.93 0.76 2r5cA1 LEU 422 HD23 -0.09 -0.01 -0.07 -0.04 0.89 0.68 2r5cA1 ARG 423 H 0.01 0.14 -0.26 -0.55 8.46 7.81 2r5cA1 ARG 423 HA 0.10 0.08 0.38 -0.75 4.34 4.14 2r5cA1 ARG 423 HB2 0.01 0.04 0.37 -0.04 1.90 2.28 2r5cA1 ARG 423 HB3 0.03 -0.04 0.04 -0.04 1.80 1.79 2r5cA1 ARG 423 HG2 0.05 -0.03 0.06 -0.04 1.67 1.71 2r5cA1 ARG 423 HG3 0.03 0.08 0.07 -0.04 1.67 1.82 2r5cA1 ARG 423 HD2 0.03 -0.04 -0.00 -0.04 3.22 3.16 2r5cA1 ARG 423 HD3 0.01 -0.01 -0.04 -0.04 3.22 3.14 2r5cA1 LYS 424 H 0.06 0.50 -0.14 -0.55 8.42 8.28 2r5cA1 LYS 424 HA 0.04 0.01 0.46 -0.75 4.32 4.08 2r5cA1 LYS 424 HB2 0.03 -0.09 0.08 -0.04 1.87 1.85 2r5cA1 LYS 424 HB3 0.04 0.22 0.16 -0.04 1.79 2.17 2r5cA1 LYS 424 HG2 0.08 0.15 -0.26 -0.04 1.46 1.39 2r5cA1 LYS 424 HG3 0.04 -0.05 -0.10 -0.04 1.46 1.32 2r5cA1 LYS 424 HD2 0.02 -0.03 0.01 -0.04 1.69 1.64 2r5cA1 LYS 424 HD3 0.03 0.03 -0.01 -0.04 1.68 1.69 2r5cA1 LYS 424 HE2 0.02 0.00 -0.00 -0.04 2.99 2.97 2r5cA1 LYS 424 HE3 0.02 -0.01 0.00 -0.04 2.99 2.96 2r5cA1 TRP 425 H 0.27 0.32 -0.35 -0.55 7.97 7.66 2r5cA1 TRP 425 HA 0.04 0.09 0.74 -0.75 4.62 4.74 2r5cA1 TRP 425 HB2 0.02 0.03 0.12 -0.04 3.23 3.36 2r5cA1 TRP 425 HB3 0.05 0.02 0.12 -0.04 3.23 3.38 2r5cA1 TRP 425 HD1 0.10 -0.00 0.02 -0.04 7.22 7.30 2r5cA1 TRP 425 HE1 0.61 -0.05 0.02 -0.04 10.20 10.73 2r5cA1 TRP 425 HE3 0.12 0.09 -0.15 -0.04 7.59 7.61 2r5cA1 TRP 425 HZ2 0.19 0.13 -0.10 -0.04 7.44 7.61 2r5cA1 TRP 425 HZ3 0.14 0.13 -0.00 -0.04 7.13 7.36 2r5cA1 TRP 425 HH2 0.15 -0.05 -0.01 -0.04 7.19 7.24 2r5cA1 LYS 426 H 0.32 0.44 -0.21 -0.55 8.42 8.42 2r5cA1 LYS 426 HA -0.37 -0.00 0.39 -0.75 4.32 3.58 2r5cA1 LYS 426 HB2 0.35 0.05 0.16 -0.04 1.87 2.39 2r5cA1 LYS 426 HB3 0.12 0.00 0.18 -0.04 1.79 2.05 2r5cA1 LYS 426 HG2 0.01 -0.05 -0.15 -0.04 1.46 1.23 2r5cA1 LYS 426 HG3 0.12 0.03 0.05 -0.04 1.46 1.62 2r5cA1 LYS 426 HD2 0.18 0.02 0.10 -0.04 1.69 1.95 2r5cA1 LYS 426 HD3 0.09 -0.09 0.01 -0.04 1.68 1.65 2r5cA1 LYS 426 HE2 0.06 -0.07 -0.02 -0.04 2.99 2.92 2r5cA1 LYS 426 HE3 0.12 0.06 -0.06 -0.04 2.99 3.06 2r5cA1 GLY 427 H 0.02 0.72 0.08 -0.55 8.43 8.71 2r5cA1 GLY 427 HA2 -0.02 -0.06 0.31 -0.51 4.01 3.73 2r5cA1 GLY 427 HA3 -0.01 -0.03 0.27 -0.51 4.01 3.73 2r5cA1 SER 428 H -0.11 0.32 -0.61 -0.55 8.46 7.52 2r5cA1 SER 428 HA -0.09 0.04 0.86 -0.75 4.49 4.54 2r5cA1 SER 428 HB2 -0.07 -0.08 0.10 -0.04 3.95 3.86 2r5cA1 SER 428 HB3 -0.05 -0.08 0.02 -0.04 3.93 3.78 2r5cA1 SER 429 H -0.16 0.11 -0.08 -0.55 8.46 7.79 2r5cA1 SER 429 HA -0.19 -0.09 0.20 -0.75 4.49 3.66 2r5cA1 SER 429 HB2 -0.40 0.61 0.66 -0.04 3.95 4.78 2r5cA1 SER 429 HB3 -0.37 -0.01 0.20 -0.04 3.93 3.71