============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. TRP 4 1.040 9.363 126.001 -2.984 -99.200 -91.000 TRP6 4 1.020 10.244 124.953 -4.932 -99.200 -91.000 TRP 41 1.040 16.103 117.145 22.566 -99.200 -91.000 TRP6 41 1.020 17.456 117.268 20.613 -99.200 -91.000 PHE 80 1.000 52.033 113.161 14.231 -99.200 -91.000 PHE 91 1.000 21.645 116.888 9.428 -99.200 -91.000 HIS 97 0.900 32.394 119.196 2.631 -99.200 -91.000 TYR 113 0.840 60.111 110.910 2.858 -99.200 -91.000 TYR 128 0.840 26.054 115.570 10.714 -99.200 -91.000 TYR 144 0.840 23.865 125.798 12.959 -99.200 -91.000 PHE 151 1.000 24.418 129.047 8.726 -99.200 -91.000 HIS 160 0.900 17.923 123.778 21.209 -99.200 -91.000 TYR 169 0.840 21.385 105.683 11.743 -99.200 -91.000 HIS 190 0.900 52.827 104.263 -5.733 -99.200 -91.000 HIS 193 0.900 53.893 113.270 -2.777 -99.200 -91.000 TRP 195 1.040 44.904 113.882 -6.120 -99.200 -91.000 TRP6 195 1.020 44.176 112.135 -4.692 -99.200 -91.000 PHE 199 1.000 50.604 122.399 -1.453 -99.200 -91.000 TYR 209 0.840 55.478 124.231 1.852 -99.200 -91.000 PHE 222 1.000 64.291 102.406 -2.301 -99.200 -91.000 TYR 238 0.840 40.544 103.504 12.407 -99.200 -91.000 HIS 241 0.900 30.275 111.921 16.862 -99.200 -91.000 TYR 248 0.840 23.854 110.488 16.982 -99.200 -91.000 PHE 265 1.000 33.375 97.929 21.896 -99.200 -91.000 HIS 270 0.900 35.470 103.658 13.086 -99.200 -91.000 TRP 273 1.040 36.386 116.322 20.482 -99.200 -91.000 TRP6 273 1.020 36.198 115.830 18.159 -99.200 -91.000 HIS 285 0.900 28.610 116.093 27.992 -99.200 -91.000 PHE 288 1.000 28.102 108.004 26.282 -99.200 -91.000 TYR 311 0.840 39.640 115.894 32.743 -99.200 -91.000 HIS 318 0.900 39.867 98.899 33.513 -99.200 -91.000 HIS 332 0.900 48.453 133.520 23.382 -99.200 -91.000 HIS 350 0.900 47.193 105.281 34.314 -99.200 -91.000 TRP 354 1.040 51.494 113.610 26.345 -99.200 -91.000 TRP6 354 1.020 50.219 114.773 27.949 -99.200 -91.000 HIS 359 0.900 38.674 123.824 18.115 -99.200 -91.000 HIS 363 0.900 42.069 136.873 14.073 -99.200 -91.000 PHE 369 1.000 33.312 137.616 6.296 -99.200 -91.000 HIS 373 0.900 48.046 135.505 10.514 -99.200 -91.000 PHE 374 1.000 49.503 127.989 7.348 -99.200 -91.000 PHE 384 1.000 51.784 118.495 20.884 -99.200 -91.000 PHE 385 1.000 56.054 117.934 16.463 -99.200 -91.000 HIS 388 0.900 54.570 116.501 23.948 -99.200 -91.000 HIS 394 0.900 55.168 110.023 19.637 -99.200 -91.000 HIS 399 0.900 40.769 117.081 16.923 -99.200 -91.000 TYR 413 0.840 33.653 132.767 7.339 -99.200 -91.000 PHE 431 1.000 54.318 119.147 1.369 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2b7oA1 GLY -1 HA2 -0.06 -0.01 0.19 -0.51 4.01 3.61 2b7oA1 GLY -1 HA3 -0.05 -0.15 0.24 -0.51 4.01 3.54 2b7oA1 ALA 0 H -0.09 0.05 0.07 -0.55 8.40 7.88 2b7oA1 ALA 0 HA -0.28 0.11 0.38 -0.75 4.34 3.79 2b7oA1 ALA 0 HB3 -0.12 -0.00 0.12 -0.04 1.41 1.36 2b7oA1 ASN 2 HA 0.13 -0.08 0.26 -0.75 4.76 4.31 2b7oA1 ASN 2 HB2 0.01 -0.04 0.03 -0.04 2.88 2.84 2b7oA1 ASN 2 HB3 0.04 0.04 -0.12 -0.04 2.79 2.71 2b7oA1 ASN 2 HD21 0.04 -0.06 -0.03 -0.04 7.03 6.94 2b7oA1 ASN 2 HD22 0.03 0.10 -0.04 -0.04 7.74 7.79 2b7oA1 TRP 3 H -0.26 0.36 -0.41 -0.55 7.97 7.12 2b7oA1 TRP 3 HA 0.01 -0.01 0.25 -0.75 4.62 4.12 2b7oA1 TRP 3 HB2 0.01 0.20 0.11 -0.04 3.23 3.51 2b7oA1 TRP 3 HB3 0.01 -0.08 0.23 -0.04 3.23 3.34 2b7oA1 TRP 3 HD1 0.01 0.00 -0.19 -0.04 7.22 6.99 2b7oA1 TRP 3 HE1 0.00 -0.05 0.01 -0.04 10.20 10.13 2b7oA1 TRP 3 HE3 0.01 0.00 0.02 -0.04 7.59 7.58 2b7oA1 TRP 3 HZ2 0.00 -0.04 0.01 -0.04 7.44 7.37 2b7oA1 TRP 3 HZ3 0.00 -0.03 -0.00 -0.04 7.13 7.06 2b7oA1 TRP 3 HH2 0.00 -0.05 0.01 -0.04 7.19 7.11 2b7oA1 THR 4 H 0.02 0.42 -0.13 -0.55 8.28 8.05 2b7oA1 THR 4 HA 0.08 0.08 0.76 -0.75 4.39 4.56 2b7oA1 THR 4 HB 0.04 0.06 -0.08 -0.04 4.32 4.31 2b7oA1 THR 4 HG23 0.04 -0.03 -0.18 -0.04 1.22 1.00 2b7oA1 VAL 5 H 0.03 0.18 0.10 -0.55 8.24 8.00 2b7oA1 VAL 5 HA -0.02 0.19 0.80 -0.75 4.13 4.34 2b7oA1 VAL 5 HB -0.02 0.02 -0.02 -0.04 2.12 2.06 2b7oA1 VAL 5 HG13 -0.02 0.01 -0.18 -0.04 0.97 0.73 2b7oA1 VAL 5 HG23 0.00 -0.01 -0.08 -0.04 0.95 0.83 2b7oA1 ASP 6 H -0.01 0.19 0.06 -0.55 8.40 8.08 2b7oA1 ASP 6 HA -0.00 0.14 0.75 -0.75 4.63 4.76 2b7oA1 ASP 6 HB2 -0.01 -0.02 0.11 -0.04 2.71 2.74 2b7oA1 ASP 6 HB3 -0.01 0.02 -0.07 -0.04 2.70 2.60 2b7oA1 ILE 7 H -0.01 0.20 0.06 -0.55 8.25 7.95 2b7oA1 ILE 7 HA -0.02 0.18 0.84 -0.75 4.18 4.43 2b7oA1 ILE 7 HB -0.03 -0.02 0.09 -0.04 1.89 1.89 2b7oA1 ILE 7 HG12 -0.02 0.00 -0.13 -0.04 1.49 1.31 2b7oA1 ILE 7 HG13 -0.03 0.02 -0.04 -0.04 1.21 1.12 2b7oA1 ILE 7 HG23 -0.02 0.05 -0.06 -0.04 0.93 0.86 2b7oA1 ILE 7 HD13 -0.02 0.01 -0.22 -0.04 0.88 0.62 2b7oA1 PRO 8 HA -0.02 -0.00 0.46 -0.51 4.44 4.37 2b7oA1 PRO 8 HB2 -0.01 -0.00 -0.07 -0.04 2.28 2.16 2b7oA1 PRO 8 HB3 -0.01 0.02 0.00 -0.04 2.02 1.99 2b7oA1 PRO 8 HG2 -0.01 0.01 0.05 -0.04 2.03 2.04 2b7oA1 PRO 8 HG3 -0.01 0.02 0.02 -0.04 2.03 2.02 2b7oA1 PRO 8 HD2 -0.01 0.06 0.21 -0.04 3.68 3.90 2b7oA1 PRO 8 HD3 -0.02 0.39 0.18 -0.04 3.65 4.16 2b7oA1 ILE 9 H -0.02 0.13 0.13 -0.55 8.25 7.94 2b7oA1 ILE 9 HA -0.02 0.15 0.81 -0.75 4.18 4.37 2b7oA1 ILE 9 HB -0.03 -0.06 0.16 -0.04 1.89 1.91 2b7oA1 ILE 9 HG12 -0.03 0.04 0.01 -0.04 1.49 1.47 2b7oA1 ILE 9 HG13 -0.03 0.07 -0.09 -0.04 1.21 1.12 2b7oA1 ILE 9 HG23 -0.03 0.03 -0.12 -0.04 0.93 0.77 2b7oA1 ILE 9 HD13 -0.04 -0.01 0.05 -0.04 0.88 0.83 2b7oA1 ASP 10 H -0.01 0.19 0.02 -0.55 8.40 8.04 2b7oA1 ASP 10 HA -0.02 -0.02 0.43 -0.75 4.63 4.27 2b7oA1 ASP 10 HB2 -0.01 0.04 0.05 -0.04 2.71 2.75 2b7oA1 ASP 10 HB3 -0.01 0.04 -0.08 -0.04 2.70 2.60 2b7oA1 GLN 11 H -0.02 0.10 0.15 -0.55 8.47 8.15 2b7oA1 GLN 11 HA -0.03 0.15 0.74 -0.75 4.36 4.47 2b7oA1 GLN 11 HB2 -0.02 -0.03 0.13 -0.04 2.15 2.19 2b7oA1 GLN 11 HB3 -0.02 0.03 0.08 -0.04 2.02 2.07 2b7oA1 GLN 11 HG2 -0.02 0.08 0.14 -0.04 2.40 2.55 2b7oA1 GLN 11 HG3 -0.02 -0.06 0.13 -0.04 2.39 2.40 2b7oA1 GLN 11 HE21 -0.02 -0.05 0.02 -0.04 6.97 6.89 2b7oA1 GLN 11 HE22 -0.02 0.02 0.05 -0.04 7.69 7.69 2b7oA1 LEU 12 H -0.03 0.27 0.08 -0.55 8.37 8.14 2b7oA1 LEU 12 HA -0.02 0.15 0.83 -0.75 4.35 4.56 2b7oA1 LEU 12 HB2 -0.02 0.09 -0.02 -0.04 1.64 1.64 2b7oA1 LEU 12 HB3 -0.02 0.06 0.03 -0.04 1.64 1.67 2b7oA1 LEU 12 HG -0.02 -0.07 -0.51 -0.04 1.64 1.00 2b7oA1 LEU 12 HD13 -0.01 0.01 -0.06 -0.04 0.93 0.82 2b7oA1 LEU 12 HD23 -0.01 0.01 -0.15 -0.04 0.89 0.70 2b7oA1 PRO 13 HA -0.01 -0.05 0.47 -0.51 4.44 4.34 2b7oA1 PRO 13 HB2 -0.01 0.05 0.01 -0.04 2.28 2.29 2b7oA1 PRO 13 HB3 -0.01 0.02 0.08 -0.04 2.02 2.06 2b7oA1 PRO 13 HG2 -0.01 0.00 0.07 -0.04 2.03 2.05 2b7oA1 PRO 13 HG3 -0.01 -0.00 0.08 -0.04 2.03 2.06 2b7oA1 PRO 13 HD2 -0.01 0.10 0.18 -0.04 3.68 3.90 2b7oA1 PRO 13 HD3 -0.01 0.12 0.21 -0.04 3.65 3.93 2b7oA1 SER 14 H -0.02 -0.00 0.18 -0.55 8.46 8.08 2b7oA1 SER 14 HA -0.02 0.15 0.61 -0.75 4.49 4.47 2b7oA1 SER 14 HB2 -0.02 0.14 0.07 -0.04 3.95 4.10 2b7oA1 SER 14 HB3 -0.02 -0.04 0.12 -0.04 3.93 3.95 2b7oA1 LEU 15 H -0.02 0.16 0.11 -0.55 8.37 8.08 2b7oA1 LEU 15 HA -0.01 0.04 0.64 -0.75 4.35 4.26 2b7oA1 LEU 15 HB2 -0.02 0.10 0.06 -0.04 1.64 1.74 2b7oA1 LEU 15 HB3 -0.01 0.02 0.13 -0.04 1.64 1.74 2b7oA1 LEU 15 HG -0.02 -0.00 0.07 -0.04 1.64 1.65 2b7oA1 LEU 15 HD13 -0.02 0.04 0.08 -0.04 0.93 0.99 2b7oA1 LEU 15 HD23 -0.01 -0.03 0.00 -0.04 0.89 0.82 2b7oA1 PRO 16 HA -0.01 0.03 0.46 -0.51 4.44 4.40 2b7oA1 PRO 16 HB2 -0.00 0.08 -0.00 -0.04 2.28 2.31 2b7oA1 PRO 16 HB3 -0.00 -0.04 0.09 -0.04 2.02 2.03 2b7oA1 PRO 16 HG2 -0.00 0.00 0.08 -0.04 2.03 2.07 2b7oA1 PRO 16 HG3 -0.01 -0.02 0.09 -0.04 2.03 2.05 2b7oA1 PRO 16 HD2 -0.01 0.12 0.19 -0.04 3.68 3.94 2b7oA1 PRO 16 HD3 -0.01 0.08 0.21 -0.04 3.65 3.89 2b7oA1 PRO 17 HA -0.01 0.14 0.41 -0.51 4.44 4.47 2b7oA1 PRO 17 HB2 -0.00 0.09 0.02 -0.04 2.28 2.35 2b7oA1 PRO 17 HB3 -0.01 0.00 0.10 -0.04 2.02 2.08 2b7oA1 PRO 17 HG2 -0.00 -0.01 0.00 -0.04 2.03 1.98 2b7oA1 PRO 17 HG3 -0.00 -0.04 0.05 -0.04 2.03 2.00 2b7oA1 PRO 17 HD2 -0.00 -0.00 0.19 -0.04 3.68 3.82 2b7oA1 PRO 17 HD3 -0.01 0.14 0.18 -0.04 3.65 3.92 2b7oA1 LEU 18 H -0.00 0.12 0.11 -0.55 8.37 8.05 2b7oA1 LEU 18 HA 0.00 0.11 0.51 -0.75 4.35 4.22 2b7oA1 LEU 18 HB2 0.00 -0.06 0.02 -0.04 1.64 1.56 2b7oA1 LEU 18 HB3 0.00 -0.04 0.03 -0.04 1.64 1.59 2b7oA1 LEU 18 HG 0.00 0.06 0.06 -0.04 1.64 1.72 2b7oA1 LEU 18 HD13 0.01 0.03 -0.11 -0.04 0.93 0.83 2b7oA1 LEU 18 HD23 0.01 0.05 -0.04 -0.04 0.89 0.86 2b7oA1 PRO 19 HA 0.00 0.10 0.38 -0.51 4.44 4.41 2b7oA1 PRO 19 HB2 -0.00 -0.20 0.06 -0.04 2.28 2.10 2b7oA1 PRO 19 HB3 0.00 0.04 0.12 -0.04 2.02 2.14 2b7oA1 PRO 19 HG2 0.01 0.06 0.05 -0.04 2.03 2.11 2b7oA1 PRO 19 HG3 0.00 0.11 0.08 -0.04 2.03 2.18 2b7oA1 PRO 19 HD2 0.00 0.06 0.12 -0.04 3.68 3.83 2b7oA1 PRO 19 HD3 0.01 0.21 0.19 -0.04 3.65 4.01 2b7oA1 THR 20 H -0.00 0.16 0.17 -0.55 8.28 8.05 2b7oA1 THR 20 HA -0.00 0.14 0.35 -0.75 4.39 4.13 2b7oA1 THR 20 HB -0.00 -0.04 0.12 -0.04 4.32 4.35 2b7oA1 THR 20 HG23 -0.00 0.01 -0.09 -0.04 1.22 1.10 2b7oA1 ASP 21 H -0.00 0.08 -0.22 -0.55 8.40 7.71 2b7oA1 ASP 21 HA -0.00 0.08 0.28 -0.75 4.63 4.23 2b7oA1 ASP 21 HB2 -0.00 0.07 0.00 -0.04 2.71 2.74 2b7oA1 ASP 21 HB3 -0.00 -0.01 0.05 -0.04 2.70 2.70 2b7oA1 LEU 22 H -0.01 0.09 -0.21 -0.55 8.37 7.70 2b7oA1 LEU 22 HA -0.02 0.10 0.52 -0.75 4.35 4.20 2b7oA1 LEU 22 HB2 -0.01 0.07 0.02 -0.04 1.64 1.69 2b7oA1 LEU 22 HB3 -0.02 0.06 0.00 -0.04 1.64 1.64 2b7oA1 LEU 22 HG -0.01 -0.12 0.02 -0.04 1.64 1.49 2b7oA1 LEU 22 HD13 -0.00 0.02 -0.05 -0.04 0.93 0.85 2b7oA1 LEU 22 HD23 -0.02 0.03 0.01 -0.04 0.89 0.87 2b7oA1 ARG 23 H -0.00 0.52 -0.24 -0.55 8.46 8.19 2b7oA1 ARG 23 HA 0.00 0.06 0.38 -0.75 4.34 4.03 2b7oA1 ARG 23 HB2 0.00 0.07 0.04 -0.04 1.90 1.97 2b7oA1 ARG 23 HB3 0.00 -0.05 -0.10 -0.04 1.80 1.62 2b7oA1 ARG 23 HG2 0.01 0.01 -0.04 -0.04 1.67 1.61 2b7oA1 ARG 23 HG3 0.00 -0.02 -0.12 -0.04 1.67 1.49 2b7oA1 ARG 23 HD2 0.00 -0.05 -0.04 -0.04 3.22 3.10 2b7oA1 ARG 23 HD3 0.00 0.37 -0.21 -0.04 3.22 3.34 2b7oA1 THR 24 H -0.00 0.59 -0.13 -0.55 8.28 8.19 2b7oA1 THR 24 HA 0.00 -0.01 0.51 -0.75 4.39 4.15 2b7oA1 THR 24 HB -0.00 0.12 0.14 -0.04 4.32 4.54 2b7oA1 THR 24 HG23 0.00 -0.02 -0.06 -0.04 1.22 1.09 2b7oA1 ARG 25 H -0.01 0.43 -0.19 -0.55 8.46 8.14 2b7oA1 ARG 25 HA -0.01 -0.01 0.43 -0.75 4.34 4.00 2b7oA1 ARG 25 HB2 -0.02 0.11 0.23 -0.04 1.90 2.17 2b7oA1 ARG 25 HB3 -0.02 0.04 -0.01 -0.04 1.80 1.76 2b7oA1 ARG 25 HG2 -0.01 0.01 0.03 -0.04 1.67 1.65 2b7oA1 ARG 25 HG3 -0.01 -0.09 0.03 -0.04 1.67 1.57 2b7oA1 ARG 25 HD2 -0.01 -0.08 -0.02 -0.04 3.22 3.07 2b7oA1 ARG 25 HD3 -0.01 0.10 -0.02 -0.04 3.22 3.25 2b7oA1 LEU 26 H -0.01 0.62 -0.04 -0.55 8.37 8.39 2b7oA1 LEU 26 HA 0.00 0.04 0.42 -0.75 4.35 4.07 2b7oA1 LEU 26 HB2 -0.01 0.10 0.10 -0.04 1.64 1.78 2b7oA1 LEU 26 HB3 0.02 0.04 0.10 -0.04 1.64 1.76 2b7oA1 LEU 26 HG 0.03 0.04 -0.04 -0.04 1.64 1.62 2b7oA1 LEU 26 HD13 0.07 -0.01 -0.15 -0.04 0.93 0.80 2b7oA1 LEU 26 HD23 0.09 -0.01 -0.01 -0.04 0.89 0.91 2b7oA1 ASP 27 H 0.01 0.69 -0.15 -0.55 8.40 8.40 2b7oA1 ASP 27 HA 0.02 -0.00 0.32 -0.75 4.63 4.22 2b7oA1 ASP 27 HB2 0.01 0.08 0.14 -0.04 2.71 2.90 2b7oA1 ASP 27 HB3 0.01 -0.08 -0.01 -0.04 2.70 2.57 2b7oA1 ALA 28 H 0.01 0.49 -0.21 -0.55 8.40 8.14 2b7oA1 ALA 28 HA 0.01 -0.03 0.42 -0.75 4.34 3.99 2b7oA1 ALA 28 HB3 0.00 0.02 0.08 -0.04 1.41 1.47 2b7oA1 ALA 29 H 0.01 0.50 -0.18 -0.55 8.40 8.19 2b7oA1 ALA 29 HA 0.02 0.01 0.40 -0.75 4.34 4.01 2b7oA1 ALA 29 HB3 0.02 0.01 -0.03 -0.04 1.41 1.38 2b7oA1 LEU 30 H 0.03 0.54 -0.17 -0.55 8.37 8.22 2b7oA1 LEU 30 HA 0.02 0.05 0.44 -0.75 4.35 4.11 2b7oA1 LEU 30 HB2 0.04 0.07 0.02 -0.04 1.64 1.73 2b7oA1 LEU 30 HB3 0.02 -0.09 0.05 -0.04 1.64 1.59 2b7oA1 LEU 30 HG 0.11 0.09 -0.05 -0.04 1.64 1.76 2b7oA1 LEU 30 HD13 0.10 -0.02 -0.10 -0.04 0.93 0.87 2b7oA1 LEU 30 HD23 0.05 -0.02 -0.08 -0.04 0.89 0.80 2b7oA1 ALA 31 H 0.02 0.33 -0.42 -0.55 8.40 7.79 2b7oA1 ALA 31 HA 0.01 0.00 0.69 -0.75 4.34 4.29 2b7oA1 ALA 31 HB3 0.01 0.01 0.08 -0.04 1.41 1.48 2b7oA1 LYS 32 H 0.02 0.34 -0.37 -0.55 8.42 7.85 2b7oA1 LYS 32 HA 0.02 0.03 0.53 -0.75 4.32 4.14 2b7oA1 LYS 32 HB2 0.02 -0.02 -0.11 -0.04 1.87 1.73 2b7oA1 LYS 32 HB3 0.03 0.10 0.08 -0.04 1.79 1.95 2b7oA1 LYS 32 HG2 0.02 -0.10 0.01 -0.04 1.46 1.35 2b7oA1 LYS 32 HG3 0.02 0.10 0.04 -0.04 1.46 1.58 2b7oA1 LYS 32 HD2 0.03 0.00 -0.14 -0.04 1.69 1.54 2b7oA1 LYS 32 HD3 0.03 0.21 -0.20 -0.04 1.68 1.67 2b7oA1 LYS 32 HE2 0.01 -0.08 -0.02 -0.04 2.99 2.86 2b7oA1 LYS 32 HE3 0.01 0.01 -0.04 -0.04 2.99 2.93 2b7oA1 PRO 33 HA 0.01 0.12 0.34 -0.51 4.44 4.40 2b7oA1 PRO 33 HB2 0.02 -0.03 -0.05 -0.04 2.28 2.18 2b7oA1 PRO 33 HB3 0.02 0.02 0.09 -0.04 2.02 2.11 2b7oA1 PRO 33 HG2 0.03 -0.07 0.05 -0.04 2.03 2.00 2b7oA1 PRO 33 HG3 0.02 -0.00 0.05 -0.04 2.03 2.06 2b7oA1 PRO 33 HD2 0.02 0.25 0.24 -0.04 3.68 4.15 2b7oA1 PRO 33 HD3 0.02 0.11 0.21 -0.04 3.65 3.95 2b7oA1 ALA 34 H 0.02 0.21 0.19 -0.55 8.40 8.27 2b7oA1 ALA 34 HA 0.11 0.00 1.02 -0.75 4.34 4.71 2b7oA1 ALA 34 HB3 -0.03 0.05 0.08 -0.04 1.41 1.47 2b7oA1 ALA 35 H 0.13 0.10 0.16 -0.55 8.40 8.24 2b7oA1 ALA 35 HA 0.02 0.07 0.71 -0.75 4.34 4.39 2b7oA1 ALA 35 HB3 -0.00 0.00 0.16 -0.04 1.41 1.53 2b7oA1 GLN 36 H -0.01 0.11 0.17 -0.55 8.47 8.19 2b7oA1 GLN 36 HA -0.04 0.02 0.30 -0.75 4.36 3.88 2b7oA1 GLN 36 HB2 -0.08 0.15 -0.33 -0.04 2.15 1.86 2b7oA1 GLN 36 HB3 -0.07 0.00 0.11 -0.04 2.02 2.02 2b7oA1 GLN 36 HG2 -0.05 -0.03 -0.11 -0.04 2.40 2.17 2b7oA1 GLN 36 HG3 -0.08 -0.07 -0.13 -0.04 2.39 2.07 2b7oA1 GLN 36 HE21 -0.02 0.42 0.10 -0.04 6.97 7.43 2b7oA1 GLN 36 HE22 -0.03 -0.04 0.03 -0.04 7.69 7.61 2b7oA1 GLN 37 H -0.03 0.03 -0.25 -0.55 8.47 7.68 2b7oA1 GLN 37 HA -0.10 0.15 0.60 -0.75 4.36 4.26 2b7oA1 GLN 37 HB2 -0.05 -0.03 0.05 -0.04 2.15 2.07 2b7oA1 GLN 37 HB3 -0.10 0.03 0.07 -0.04 2.02 1.98 2b7oA1 GLN 37 HG2 0.03 0.11 -0.27 -0.04 2.40 2.22 2b7oA1 GLN 37 HG3 -0.02 -0.04 0.02 -0.04 2.39 2.30 2b7oA1 GLN 37 HE21 0.21 0.52 0.11 -0.04 6.97 7.76 2b7oA1 GLN 37 HE22 0.16 0.47 -0.14 -0.04 7.69 8.14 2b7oA1 PRO 38 HA -0.22 0.08 0.49 -0.51 4.44 4.27 2b7oA1 PRO 38 HB2 -2.52 -0.05 -0.01 -0.04 2.28 -0.35 2b7oA1 PRO 38 HB3 -1.58 0.05 0.12 -0.04 2.02 0.57 2b7oA1 PRO 38 HG2 -1.04 -0.02 0.08 -0.04 2.03 1.01 2b7oA1 PRO 38 HG3 -0.74 0.13 0.10 -0.04 2.03 1.49 2b7oA1 PRO 38 HD2 -0.29 0.01 0.23 -0.04 3.68 3.60 2b7oA1 PRO 38 HD3 -0.25 0.23 0.24 -0.04 3.65 3.83 2b7oA1 THR 39 H 0.11 0.12 0.16 -0.55 8.28 8.12 2b7oA1 THR 39 HA -0.12 0.26 0.73 -0.75 4.39 4.51 2b7oA1 THR 39 HB -0.11 -0.03 0.20 -0.04 4.32 4.34 2b7oA1 THR 39 HG23 -0.14 0.01 0.00 -0.04 1.22 1.05 2b7oA1 TRP 40 H -0.34 -0.00 -0.27 -0.55 7.97 6.80 2b7oA1 TRP 40 HA 0.03 0.10 0.51 -0.75 4.62 4.51 2b7oA1 TRP 40 HB2 0.04 -0.01 0.08 -0.04 3.23 3.30 2b7oA1 TRP 40 HB3 0.09 0.18 0.03 -0.04 3.23 3.48 2b7oA1 TRP 40 HD1 0.03 0.00 -0.28 -0.04 7.22 6.94 2b7oA1 TRP 40 HE1 0.03 -0.00 -0.05 -0.04 10.20 10.13 2b7oA1 TRP 40 HE3 0.08 -0.03 -0.51 -0.04 7.59 7.09 2b7oA1 TRP 40 HZ2 0.03 -0.05 -0.02 -0.04 7.44 7.35 2b7oA1 TRP 40 HZ3 -0.01 0.21 -0.11 -0.04 7.13 7.18 2b7oA1 TRP 40 HH2 -0.01 0.07 -0.05 -0.04 7.19 7.16 2b7oA1 PRO 41 HA 0.13 0.14 0.45 -0.51 4.44 4.64 2b7oA1 PRO 41 HB2 0.06 -0.21 0.06 -0.04 2.28 2.14 2b7oA1 PRO 41 HB3 0.06 0.05 0.16 -0.04 2.02 2.25 2b7oA1 PRO 41 HG2 0.07 0.02 0.13 -0.04 2.03 2.21 2b7oA1 PRO 41 HG3 0.08 0.10 0.15 -0.04 2.03 2.31 2b7oA1 PRO 41 HD2 0.16 0.06 0.24 -0.04 3.68 4.10 2b7oA1 PRO 41 HD3 0.19 0.20 0.30 -0.04 3.65 4.30 2b7oA1 ALA 42 H 0.09 0.17 0.20 -0.55 8.40 8.31 2b7oA1 ALA 42 HA 0.12 0.16 0.39 -0.75 4.34 4.25 2b7oA1 ALA 42 HB3 0.05 0.03 0.11 -0.04 1.41 1.56 2b7oA1 ASP 43 H 0.03 0.04 -0.15 -0.55 8.40 7.78 2b7oA1 ASP 43 HA 0.00 0.16 0.44 -0.75 4.63 4.48 2b7oA1 ASP 43 HB2 -0.00 0.06 0.06 -0.04 2.71 2.78 2b7oA1 ASP 43 HB3 0.01 0.00 0.07 -0.04 2.70 2.74 2b7oA1 GLN 44 H -0.00 0.05 -0.19 -0.55 8.47 7.78 2b7oA1 GLN 44 HA -0.07 0.06 0.50 -0.75 4.36 4.10 2b7oA1 GLN 44 HB2 -0.06 0.12 0.12 -0.04 2.15 2.29 2b7oA1 GLN 44 HB3 -0.14 0.00 -0.00 -0.04 2.02 1.84 2b7oA1 GLN 44 HG2 -0.03 0.02 0.04 -0.04 2.40 2.38 2b7oA1 GLN 44 HG3 -0.00 -0.10 0.05 -0.04 2.39 2.29 2b7oA1 GLN 44 HE21 0.05 0.05 0.10 -0.04 6.97 7.12 2b7oA1 GLN 44 HE22 -0.06 -0.01 0.06 -0.04 7.69 7.63 2b7oA1 ALA 45 H -0.09 0.53 -0.08 -0.55 8.40 8.21 2b7oA1 ALA 45 HA -0.41 0.01 0.40 -0.75 4.34 3.59 2b7oA1 ALA 45 HB3 0.07 0.00 0.01 -0.04 1.41 1.45 2b7oA1 LEU 46 H -0.02 0.48 -0.21 -0.55 8.37 8.07 2b7oA1 LEU 46 HA -0.01 0.04 0.37 -0.75 4.35 3.99 2b7oA1 LEU 46 HB2 -0.00 0.17 0.17 -0.04 1.64 1.94 2b7oA1 LEU 46 HB3 -0.02 0.01 0.03 -0.04 1.64 1.63 2b7oA1 LEU 46 HG 0.01 -0.02 -0.00 -0.04 1.64 1.58 2b7oA1 LEU 46 HD13 -0.00 -0.03 -0.05 -0.04 0.93 0.81 2b7oA1 LEU 46 HD23 -0.01 0.00 -0.04 -0.04 0.89 0.81 2b7oA1 ALA 47 H -0.05 0.38 -0.21 -0.55 8.40 7.98 2b7oA1 ALA 47 HA -0.04 -0.01 0.30 -0.75 4.34 3.83 2b7oA1 ALA 47 HB3 -0.05 0.00 0.15 -0.04 1.41 1.47 2b7oA1 ARG 49 HA -0.05 -0.06 0.35 -0.75 4.34 3.82 2b7oA1 ARG 49 HB2 -0.03 0.08 0.11 -0.04 1.90 2.02 2b7oA1 ARG 49 HB3 -0.02 -0.02 -0.12 -0.04 1.80 1.60 2b7oA1 ARG 49 HG2 0.00 0.14 0.11 -0.04 1.67 1.88 2b7oA1 ARG 49 HG3 -0.01 0.03 0.04 -0.04 1.67 1.69 2b7oA1 ARG 49 HD2 0.01 0.04 -0.08 -0.04 3.22 3.14 2b7oA1 ARG 49 HD3 0.04 -0.08 0.04 -0.04 3.22 3.17 2b7oA1 THR 50 H -0.05 0.61 -0.66 -0.55 8.28 7.63 2b7oA1 THR 50 HA -0.04 0.03 0.52 -0.75 4.39 4.15 2b7oA1 THR 50 HB -0.04 0.11 0.16 -0.04 4.32 4.51 2b7oA1 THR 50 HG23 -0.03 -0.03 -0.04 -0.04 1.22 1.08 2b7oA1 VAL 51 H -0.06 0.44 0.24 -0.55 8.24 8.31 2b7oA1 VAL 51 HA -0.06 0.02 0.51 -0.75 4.13 3.85 2b7oA1 VAL 51 HB -0.07 -0.01 0.04 -0.04 2.12 2.04 2b7oA1 VAL 51 HG13 -0.06 -0.01 -0.09 -0.04 0.97 0.77 2b7oA1 VAL 51 HG23 -0.05 0.05 0.07 -0.04 0.95 0.97 2b7oA1 LEU 52 H -0.09 0.14 -0.28 -0.55 8.37 7.59 2b7oA1 LEU 52 HA -0.25 -0.02 0.29 -0.75 4.35 3.60 2b7oA1 LEU 52 HB2 -0.10 0.02 0.13 -0.04 1.64 1.65 2b7oA1 LEU 52 HB3 -0.18 0.12 0.08 -0.04 1.64 1.62 2b7oA1 LEU 52 HG -0.19 0.05 0.02 -0.04 1.64 1.47 2b7oA1 LEU 52 HD13 -0.19 -0.03 -0.06 -0.04 0.93 0.61 2b7oA1 LEU 52 HD23 0.08 0.02 -0.15 -0.04 0.89 0.80 2b7oA1 GLU 53 H -0.09 0.26 -0.39 -0.55 8.60 7.84 2b7oA1 GLU 53 HA -0.08 0.39 0.53 -0.75 4.29 4.38 2b7oA1 GLU 53 HB2 -0.05 0.07 0.18 -0.04 2.09 2.25 2b7oA1 GLU 53 HB3 -0.04 -0.11 0.09 -0.04 1.99 1.89 2b7oA1 GLU 53 HG2 -0.03 0.10 0.09 -0.04 2.34 2.45 2b7oA1 GLU 53 HG3 -0.05 0.16 0.04 -0.04 2.34 2.45 2b7oA1 SER 54 H -0.10 0.25 -0.24 -0.55 8.46 7.83 2b7oA1 SER 54 HA -0.05 0.22 1.00 -0.75 4.49 4.91 2b7oA1 SER 54 HB2 -0.04 -0.07 0.14 -0.04 3.95 3.95 2b7oA1 SER 54 HB3 -0.04 -0.17 0.02 -0.04 3.93 3.70 2b7oA1 VAL 55 H -0.17 0.18 -0.12 -0.55 8.24 7.58 2b7oA1 VAL 55 HA -0.07 0.01 0.51 -0.75 4.13 3.82 2b7oA1 VAL 55 HB -0.27 0.01 0.05 -0.04 2.12 1.87 2b7oA1 VAL 55 HG13 -0.23 -0.00 -0.02 -0.04 0.97 0.68 2b7oA1 VAL 55 HG23 -0.84 0.09 -0.07 -0.04 0.95 0.08 2b7oA1 PRO 56 HA 0.02 0.07 0.48 -0.51 4.44 4.49 2b7oA1 PRO 56 HB2 0.10 0.06 0.01 -0.04 2.28 2.42 2b7oA1 PRO 56 HB3 0.04 -0.03 0.10 -0.04 2.02 2.09 2b7oA1 PRO 56 HG2 0.07 -0.04 0.08 -0.04 2.03 2.10 2b7oA1 PRO 56 HG3 0.03 -0.00 0.10 -0.04 2.03 2.12 2b7oA1 PRO 56 HD2 0.14 0.05 0.17 -0.04 3.68 4.00 2b7oA1 PRO 56 HD3 0.03 0.09 0.22 -0.04 3.65 3.94 2b7oA1 PRO 57 HA 0.06 0.12 0.23 -0.51 4.44 4.34 2b7oA1 PRO 57 HB2 0.02 0.17 0.17 -0.04 2.28 2.60 2b7oA1 PRO 57 HB3 0.01 0.00 0.11 -0.04 2.02 2.10 2b7oA1 PRO 57 HG2 0.02 -0.00 -0.09 -0.04 2.03 1.91 2b7oA1 PRO 57 HG3 -0.00 -0.09 0.08 -0.04 2.03 1.98 2b7oA1 PRO 57 HD2 0.03 -0.02 0.16 -0.04 3.68 3.81 2b7oA1 PRO 57 HD3 0.01 0.13 0.21 -0.04 3.65 3.95 2b7oA1 VAL 58 H 0.09 0.43 0.28 -0.55 8.24 8.49 2b7oA1 VAL 58 HA 0.07 0.11 0.71 -0.75 4.13 4.26 2b7oA1 VAL 58 HB 0.07 0.03 -0.00 -0.04 2.12 2.18 2b7oA1 VAL 58 HG13 0.04 0.00 -0.18 -0.04 0.97 0.80 2b7oA1 VAL 58 HG23 0.17 -0.00 0.01 -0.04 0.95 1.08 2b7oA1 THR 59 H -0.01 0.37 0.07 -0.55 8.28 8.17 2b7oA1 THR 59 HA -0.04 0.15 0.64 -0.75 4.39 4.38 2b7oA1 THR 59 HB -0.38 -0.10 -0.00 -0.04 4.32 3.80 2b7oA1 THR 59 HG23 -0.50 -0.01 -0.44 -0.04 1.22 0.24 2b7oA1 VAL 60 H 0.04 0.12 0.12 -0.55 8.24 7.97 2b7oA1 VAL 60 HA -0.06 0.34 0.87 -0.75 4.13 4.53 2b7oA1 VAL 60 HB -0.05 -0.04 0.12 -0.04 2.12 2.11 2b7oA1 VAL 60 HG13 -0.00 0.04 -0.19 -0.04 0.97 0.78 2b7oA1 VAL 60 HG23 0.01 -0.06 -0.02 -0.04 0.95 0.84 2b7oA1 PRO 61 HA -0.73 0.15 0.36 -0.51 4.44 3.71 2b7oA1 PRO 61 HB2 -0.37 -0.07 0.12 -0.04 2.28 1.93 2b7oA1 PRO 61 HB3 -1.31 0.09 0.10 -0.04 2.02 0.85 2b7oA1 PRO 61 HG2 -0.24 0.00 0.09 -0.04 2.03 1.85 2b7oA1 PRO 61 HG3 -0.44 0.15 0.01 -0.04 2.03 1.71 2b7oA1 PRO 61 HD2 -0.14 0.06 0.21 -0.04 3.68 3.77 2b7oA1 PRO 61 HD3 -0.13 0.30 0.22 -0.04 3.65 3.99 2b7oA1 SER 62 H -0.11 0.14 -0.14 -0.55 8.46 7.80 2b7oA1 SER 62 HA -0.03 0.07 0.42 -0.75 4.49 4.18 2b7oA1 SER 62 HB2 -0.00 0.06 0.04 -0.04 3.95 4.01 2b7oA1 SER 62 HB3 -0.03 -0.02 0.08 -0.04 3.93 3.92 2b7oA1 GLU 63 H 0.04 0.22 -0.19 -0.55 8.60 8.12 2b7oA1 GLU 63 HA 0.12 0.07 0.59 -0.75 4.29 4.31 2b7oA1 GLU 63 HB2 0.30 0.11 0.13 -0.04 2.09 2.60 2b7oA1 GLU 63 HB3 0.23 0.03 0.06 -0.04 1.99 2.27 2b7oA1 GLU 63 HG2 0.09 0.04 0.02 -0.04 2.34 2.45 2b7oA1 GLU 63 HG3 0.08 -0.12 0.04 -0.04 2.34 2.30 2b7oA1 ILE 64 H 0.07 0.29 -0.20 -0.55 8.25 7.86 2b7oA1 ILE 64 HA 0.14 0.08 0.48 -0.75 4.18 4.13 2b7oA1 ILE 64 HB 0.15 0.02 0.17 -0.04 1.89 2.19 2b7oA1 ILE 64 HG12 0.24 0.04 0.13 -0.04 1.49 1.86 2b7oA1 ILE 64 HG13 0.17 -0.05 -0.01 -0.04 1.21 1.28 2b7oA1 ILE 64 HG23 0.27 0.04 0.03 -0.04 0.93 1.23 2b7oA1 ILE 64 HD13 0.14 -0.00 -0.08 -0.04 0.88 0.89 2b7oA1 VAL 65 H 0.06 0.51 0.08 -0.55 8.24 8.34 2b7oA1 VAL 65 HA 0.10 0.14 0.59 -0.75 4.13 4.20 2b7oA1 VAL 65 HB 0.09 0.03 0.11 -0.04 2.12 2.30 2b7oA1 VAL 65 HG13 0.16 0.03 0.00 -0.04 0.97 1.12 2b7oA1 VAL 65 HG23 0.04 -0.01 -0.06 -0.04 0.95 0.88 2b7oA1 ARG 66 H 0.05 0.46 -0.28 -0.55 8.46 8.13 2b7oA1 ARG 66 HA 0.03 -0.00 0.45 -0.75 4.34 4.06 2b7oA1 ARG 66 HB2 0.06 0.01 0.14 -0.04 1.90 2.07 2b7oA1 ARG 66 HB3 0.11 0.09 0.18 -0.04 1.80 2.13 2b7oA1 ARG 66 HG2 0.08 -0.03 -0.01 -0.04 1.67 1.67 2b7oA1 ARG 66 HG3 0.13 0.02 -0.15 -0.04 1.67 1.63 2b7oA1 ARG 66 HD2 0.04 -0.01 0.10 -0.04 3.22 3.30 2b7oA1 ARG 66 HD3 0.04 -0.03 0.01 -0.04 3.22 3.20 2b7oA1 LEU 67 H -0.04 0.59 -0.10 -0.55 8.37 8.27 2b7oA1 LEU 67 HA -0.37 -0.03 0.42 -0.75 4.35 3.62 2b7oA1 LEU 67 HB2 -1.01 -0.05 0.09 -0.04 1.64 0.63 2b7oA1 LEU 67 HB3 -0.22 0.15 0.19 -0.04 1.64 1.73 2b7oA1 LEU 67 HG -0.25 0.06 -0.32 -0.04 1.64 1.08 2b7oA1 LEU 67 HD13 -0.84 -0.03 -0.08 -0.04 0.93 -0.05 2b7oA1 LEU 67 HD23 -0.21 0.01 -0.16 -0.04 0.89 0.49 2b7oA1 GLN 68 H -0.03 0.65 -0.08 -0.55 8.47 8.46 2b7oA1 GLN 68 HA -0.04 0.06 0.38 -0.75 4.36 4.00 2b7oA1 GLN 68 HB2 0.02 0.08 0.14 -0.04 2.15 2.35 2b7oA1 GLN 68 HB3 0.02 0.06 0.19 -0.04 2.02 2.25 2b7oA1 GLN 68 HG2 0.02 -0.05 -0.01 -0.04 2.40 2.31 2b7oA1 GLN 68 HG3 0.00 -0.03 -0.16 -0.04 2.39 2.16 2b7oA1 GLN 68 HE21 -0.02 -0.02 -0.91 -0.04 6.97 5.98 2b7oA1 GLN 68 HE22 -0.02 -0.03 -0.12 -0.04 7.69 7.48 2b7oA1 GLU 69 H -0.01 0.48 -0.22 -0.55 8.60 8.31 2b7oA1 GLU 69 HA -0.01 0.01 0.37 -0.75 4.29 3.91 2b7oA1 GLU 69 HB2 0.01 0.13 0.16 -0.04 2.09 2.35 2b7oA1 GLU 69 HB3 0.01 -0.07 0.03 -0.04 1.99 1.92 2b7oA1 GLU 69 HG2 0.01 -0.05 0.03 -0.04 2.34 2.28 2b7oA1 GLU 69 HG3 0.01 0.16 0.08 -0.04 2.34 2.55 2b7oA1 GLN 70 H -0.03 0.50 -0.11 -0.55 8.47 8.29 2b7oA1 GLN 70 HA -0.00 0.03 0.52 -0.75 4.36 4.16 2b7oA1 GLN 70 HB2 -0.05 0.08 0.11 -0.04 2.15 2.25 2b7oA1 GLN 70 HB3 0.01 -0.05 0.02 -0.04 2.02 1.96 2b7oA1 GLN 70 HG2 0.03 -0.03 -0.01 -0.04 2.40 2.36 2b7oA1 GLN 70 HG3 0.02 0.08 0.03 -0.04 2.39 2.48 2b7oA1 GLN 70 HE21 0.12 -0.04 -0.03 -0.04 6.97 6.98 2b7oA1 GLN 70 HE22 0.06 -0.02 -0.02 -0.04 7.69 7.67 2b7oA1 LEU 71 H -0.06 0.64 -0.16 -0.55 8.37 8.24 2b7oA1 LEU 71 HA -0.05 -0.02 0.48 -0.75 4.35 4.01 2b7oA1 LEU 71 HB2 -0.07 0.16 0.09 -0.04 1.64 1.77 2b7oA1 LEU 71 HB3 -0.05 0.08 -0.05 -0.04 1.64 1.58 2b7oA1 LEU 71 HG -0.07 -0.03 -0.08 -0.04 1.64 1.42 2b7oA1 LEU 71 HD13 -0.10 -0.03 -0.15 -0.04 0.93 0.61 2b7oA1 LEU 71 HD23 -0.10 0.01 -0.18 -0.04 0.89 0.59 2b7oA1 ALA 72 H -0.03 0.56 -0.17 -0.55 8.40 8.22 2b7oA1 ALA 72 HA -0.02 0.02 0.20 -0.75 4.34 3.79 2b7oA1 ALA 72 HB3 -0.01 0.04 0.08 -0.04 1.41 1.47 2b7oA1 GLN 73 H -0.01 0.35 -0.34 -0.55 8.47 7.92 2b7oA1 GLN 73 HA -0.02 0.01 0.30 -0.75 4.36 3.91 2b7oA1 GLN 73 HB2 0.01 0.15 -0.05 -0.04 2.15 2.21 2b7oA1 GLN 73 HB3 -0.00 -0.00 -0.11 -0.04 2.02 1.86 2b7oA1 GLN 73 HG2 -0.00 0.28 0.15 -0.04 2.40 2.79 2b7oA1 GLN 73 HG3 0.01 -0.05 0.02 -0.04 2.39 2.32 2b7oA1 GLN 73 HE21 0.00 -0.07 -0.02 -0.04 6.97 6.84 2b7oA1 GLN 73 HE22 0.01 -0.02 -0.04 -0.04 7.69 7.60 2b7oA1 VAL 74 H -0.00 0.34 -0.29 -0.55 8.24 7.74 2b7oA1 VAL 74 HA 0.07 0.07 0.42 -0.75 4.13 3.93 2b7oA1 VAL 74 HB -0.01 0.12 0.08 -0.04 2.12 2.26 2b7oA1 VAL 74 HG13 0.03 0.02 -0.14 -0.04 0.97 0.84 2b7oA1 VAL 74 HG23 0.00 0.03 -0.20 -0.04 0.95 0.74 2b7oA1 ALA 75 H -0.01 0.58 -0.23 -0.55 8.40 8.20 2b7oA1 ALA 75 HA 0.02 0.01 0.28 -0.75 4.34 3.90 2b7oA1 ALA 75 HB3 -0.03 0.02 -0.04 -0.04 1.41 1.32 2b7oA1 LYS 76 H -0.03 0.36 -0.39 -0.55 8.42 7.82 2b7oA1 LYS 76 HA -0.03 0.06 0.55 -0.75 4.32 4.16 2b7oA1 LYS 76 HB2 -0.04 0.04 0.06 -0.04 1.87 1.90 2b7oA1 LYS 76 HB3 -0.03 -0.07 0.15 -0.04 1.79 1.79 2b7oA1 LYS 76 HG2 -0.01 -0.06 0.01 -0.04 1.46 1.36 2b7oA1 LYS 76 HG3 -0.02 0.08 -0.01 -0.04 1.46 1.47 2b7oA1 LYS 76 HD2 -0.02 0.00 -0.14 -0.04 1.69 1.49 2b7oA1 LYS 76 HD3 -0.01 -0.08 -0.02 -0.04 1.68 1.53 2b7oA1 LYS 76 HE2 -0.01 -0.03 0.00 -0.04 2.99 2.91 2b7oA1 LYS 76 HE3 -0.01 0.06 -0.02 -0.04 2.99 2.97 2b7oA1 GLY 77 H -0.20 0.54 -0.46 -0.55 8.43 7.76 2b7oA1 GLY 77 HA2 -1.62 0.05 0.31 -0.51 4.01 2.25 2b7oA1 GLY 77 HA3 -0.38 0.01 0.42 -0.51 4.01 3.54 2b7oA1 GLU 78 H -0.13 0.52 -0.07 -0.55 8.60 8.37 2b7oA1 GLU 78 HA -0.05 0.21 0.87 -0.75 4.29 4.57 2b7oA1 GLU 78 HB2 -0.03 0.01 0.01 -0.04 2.09 2.03 2b7oA1 GLU 78 HB3 -0.01 -0.08 0.13 -0.04 1.99 1.98 2b7oA1 GLU 78 HG2 -0.03 -0.05 -0.02 -0.04 2.34 2.20 2b7oA1 GLU 78 HG3 -0.06 0.13 -0.37 -0.04 2.34 1.99 2b7oA1 ALA 79 H 0.01 0.25 0.01 -0.55 8.40 8.12 2b7oA1 ALA 79 HA 0.11 0.24 0.38 -0.75 4.34 4.32 2b7oA1 ALA 79 HB3 0.06 -0.03 -0.12 -0.04 1.41 1.27 2b7oA1 PHE 80 H 0.21 0.60 0.36 -0.55 8.34 8.96 2b7oA1 PHE 80 HA 0.11 0.33 0.96 -0.75 4.62 5.27 2b7oA1 PHE 80 HB2 0.10 0.08 -0.17 -0.04 3.15 3.11 2b7oA1 PHE 80 HB3 0.06 -0.11 -0.00 -0.04 3.06 2.97 2b7oA1 PHE 80 HD2 0.02 0.03 -0.16 -0.04 7.28 7.13 2b7oA1 PHE 80 HE2 0.01 0.01 -0.16 -0.04 7.38 7.20 2b7oA1 PHE 80 HZ 0.15 -0.09 -0.20 -0.04 7.32 7.15 2b7oA1 LEU 81 H -0.70 0.78 0.46 -0.55 8.37 8.37 2b7oA1 LEU 81 HA -0.12 0.14 0.93 -0.75 4.35 4.54 2b7oA1 LEU 81 HB2 -0.16 0.01 -0.04 -0.04 1.64 1.41 2b7oA1 LEU 81 HB3 -0.30 -0.02 0.05 -0.04 1.64 1.33 2b7oA1 LEU 81 HG -0.19 -0.02 -0.41 -0.04 1.64 0.99 2b7oA1 LEU 81 HD13 -0.09 0.03 -0.18 -0.04 0.93 0.65 2b7oA1 LEU 81 HD23 -0.14 -0.02 -0.24 -0.04 0.89 0.44 2b7oA1 LEU 82 H -0.05 0.85 0.37 -0.55 8.37 8.99 2b7oA1 LEU 82 HA -0.08 0.10 0.98 -0.75 4.35 4.60 2b7oA1 LEU 82 HB2 0.11 -0.01 -0.00 -0.04 1.64 1.70 2b7oA1 LEU 82 HB3 0.03 0.07 0.15 -0.04 1.64 1.86 2b7oA1 LEU 82 HG 0.00 -0.09 -0.30 -0.04 1.64 1.21 2b7oA1 LEU 82 HD13 0.03 -0.02 -0.09 -0.04 0.93 0.81 2b7oA1 LEU 82 HD23 0.04 -0.01 -0.01 -0.04 0.89 0.87 2b7oA1 GLN 83 H -0.14 0.57 0.24 -0.55 8.47 8.60 2b7oA1 GLN 83 HA -0.12 0.44 1.01 -0.75 4.36 4.94 2b7oA1 GLN 83 HB2 -0.27 -0.00 -0.19 -0.04 2.15 1.65 2b7oA1 GLN 83 HB3 -0.53 -0.02 0.11 -0.04 2.02 1.55 2b7oA1 GLN 83 HG2 -0.93 -0.11 -0.26 -0.04 2.40 1.06 2b7oA1 GLN 83 HG3 -0.22 0.16 -0.16 -0.04 2.39 2.13 2b7oA1 GLN 83 HE21 0.15 -0.02 -0.32 -0.04 6.97 6.73 2b7oA1 GLN 83 HE22 0.11 0.00 -0.34 -0.04 7.69 7.42 2b7oA1 GLY 84 H -0.06 0.54 0.34 -0.55 8.43 8.70 2b7oA1 GLY 84 HA2 0.00 0.36 0.70 -0.51 4.01 4.56 2b7oA1 GLY 84 HA3 -0.02 -0.00 0.23 -0.51 4.01 3.71 2b7oA1 GLY 85 H 0.03 0.29 0.28 -0.55 8.43 8.48 2b7oA1 GLY 85 HA2 -0.01 -0.01 0.32 -0.51 4.01 3.80 2b7oA1 GLY 85 HA3 0.03 0.19 0.75 -0.51 4.01 4.46 2b7oA1 ASP 86 H 0.03 0.16 0.20 -0.55 8.40 8.24 2b7oA1 ASP 86 HA 0.05 0.03 0.38 -0.75 4.63 4.33 2b7oA1 ASP 86 HB2 0.05 0.03 -0.02 -0.04 2.71 2.73 2b7oA1 ASP 86 HB3 0.06 0.09 -0.26 -0.04 2.70 2.54 2b7oA1 CYS 87 H 0.04 0.06 0.15 -0.55 8.50 8.21 2b7oA1 CYS 87 HA 0.13 0.10 0.55 -0.75 4.58 4.60 2b7oA1 CYS 87 HB2 0.06 0.02 0.04 -0.04 2.97 3.05 2b7oA1 CYS 87 HB3 0.04 -0.03 0.12 -0.04 2.97 3.06 2b7oA1 ALA 88 H 0.04 0.14 -0.09 -0.55 8.40 7.94 2b7oA1 ALA 88 HA 0.00 0.27 0.63 -0.75 4.34 4.49 2b7oA1 ALA 88 HB3 0.02 0.00 -0.14 -0.04 1.41 1.25 2b7oA1 GLU 89 H -0.14 0.60 0.18 -0.55 8.60 8.70 2b7oA1 GLU 89 HA 0.01 0.05 0.71 -0.75 4.29 4.30 2b7oA1 GLU 89 HB2 -0.78 -0.03 -0.15 -0.04 2.09 1.09 2b7oA1 GLU 89 HB3 -0.05 0.06 -0.05 -0.04 1.99 1.91 2b7oA1 GLU 89 HG2 -0.04 0.03 0.06 -0.04 2.34 2.34 2b7oA1 GLU 89 HG3 -0.17 0.10 0.00 -0.04 2.34 2.23 2b7oA1 THR 90 H 0.05 0.19 0.12 -0.55 8.28 8.10 2b7oA1 THR 90 HA -0.01 0.15 0.87 -0.75 4.39 4.64 2b7oA1 THR 90 HB -0.06 -0.08 0.11 -0.04 4.32 4.26 2b7oA1 THR 90 HG23 -0.07 0.03 -0.12 -0.04 1.22 1.02 2b7oA1 PHE 91 H -0.23 0.14 0.09 -0.55 8.34 7.79 2b7oA1 PHE 91 HA 0.01 0.13 0.34 -0.75 4.62 4.34 2b7oA1 PHE 91 HB2 -0.02 -0.01 0.14 -0.04 3.15 3.22 2b7oA1 PHE 91 HB3 -0.05 0.04 0.12 -0.04 3.06 3.14 2b7oA1 PHE 91 HD2 -0.21 -0.02 -0.05 -0.04 7.28 6.96 2b7oA1 PHE 91 HE2 -0.88 0.08 -0.01 -0.04 7.38 6.53 2b7oA1 PHE 91 HZ -0.35 0.12 -0.05 -0.04 7.32 6.99 2b7oA1 ASP 93 HA -0.08 -0.07 0.27 -0.75 4.63 3.99 2b7oA1 ASP 93 HB2 -0.21 -0.02 0.07 -0.04 2.71 2.50 2b7oA1 ASP 93 HB3 -0.66 -0.08 0.18 -0.04 2.70 2.10 2b7oA1 ASN 94 H 0.10 0.49 -1.17 -0.55 8.53 7.40 2b7oA1 ASN 94 HA 0.16 -0.01 0.65 -0.75 4.76 4.81 2b7oA1 ASN 94 HB2 0.26 0.12 0.07 -0.04 2.88 3.30 2b7oA1 ASN 94 HB3 0.14 0.07 0.28 -0.04 2.79 3.24 2b7oA1 ASN 94 HD21 0.10 0.29 0.11 -0.04 7.03 7.49 2b7oA1 ASN 94 HD22 0.09 -0.03 0.11 -0.04 7.74 7.86 2b7oA1 THR 95 H 0.12 0.37 -0.00 -0.55 8.28 8.22 2b7oA1 THR 95 HA 0.05 0.28 0.91 -0.75 4.39 4.86 2b7oA1 THR 95 HB 0.03 -0.02 0.07 -0.04 4.32 4.36 2b7oA1 THR 95 HG23 0.03 0.02 -0.21 -0.04 1.22 1.02 2b7oA1 GLU 96 H 0.03 0.20 0.15 -0.55 8.60 8.43 2b7oA1 GLU 96 HA 0.02 0.09 0.44 -0.75 4.29 4.09 2b7oA1 GLU 96 HB2 0.01 0.06 0.15 -0.04 2.09 2.28 2b7oA1 GLU 96 HB3 0.01 0.02 0.14 -0.04 1.99 2.12 2b7oA1 GLU 96 HG2 0.01 0.01 0.05 -0.04 2.34 2.37 2b7oA1 GLU 96 HG3 0.01 0.04 0.02 -0.04 2.34 2.37 2b7oA1 PRO 97 HA -0.01 0.08 0.42 -0.51 4.44 4.42 2b7oA1 PRO 97 HB2 0.03 0.04 -0.04 -0.04 2.28 2.26 2b7oA1 PRO 97 HB3 0.00 0.05 0.05 -0.04 2.02 2.08 2b7oA1 PRO 97 HG2 0.01 0.07 0.04 -0.04 2.03 2.11 2b7oA1 PRO 97 HG3 0.01 0.06 0.05 -0.04 2.03 2.11 2b7oA1 PRO 97 HD2 0.03 0.05 -0.01 -0.04 3.68 3.71 2b7oA1 PRO 97 HD3 0.02 0.11 0.14 -0.04 3.65 3.87 2b7oA1 HIS 98 H 0.11 0.16 -0.29 -0.55 8.41 7.86 2b7oA1 HIS 98 HA -0.04 0.01 0.56 -0.75 4.63 4.40 2b7oA1 HIS 98 HB2 -0.02 -0.06 0.13 -0.04 3.26 3.28 2b7oA1 HIS 98 HB3 -0.00 0.14 0.27 -0.04 3.20 3.57 2b7oA1 HIS 98 HD2 0.00 0.11 0.04 -0.04 6.97 7.08 2b7oA1 HIS 98 HE1 -0.04 -0.07 0.08 -0.04 7.75 7.67 2b7oA1 ILE 99 H 0.03 0.61 0.06 -0.55 8.25 8.40 2b7oA1 ILE 99 HA -0.13 0.02 0.44 -0.75 4.18 3.76 2b7oA1 ILE 99 HB 0.00 0.06 0.14 -0.04 1.89 2.05 2b7oA1 ILE 99 HG12 0.03 -0.04 0.06 -0.04 1.49 1.51 2b7oA1 ILE 99 HG13 0.08 -0.02 0.11 -0.04 1.21 1.33 2b7oA1 ILE 99 HG23 -0.01 0.01 -0.13 -0.04 0.93 0.75 2b7oA1 ILE 99 HD13 0.05 0.01 -0.13 -0.04 0.88 0.77 2b7oA1 ARG 100 H -0.04 0.67 -0.03 -0.55 8.46 8.50 2b7oA1 ARG 100 HA -0.06 0.04 0.44 -0.75 4.34 4.01 2b7oA1 ARG 100 HB2 -0.03 0.00 0.09 -0.04 1.90 1.92 2b7oA1 ARG 100 HB3 -0.05 0.06 0.12 -0.04 1.80 1.89 2b7oA1 ARG 100 HG2 -0.12 0.00 -0.19 -0.04 1.67 1.32 2b7oA1 ARG 100 HG3 -0.07 -0.02 0.01 -0.04 1.67 1.56 2b7oA1 ARG 100 HD2 -0.03 -0.01 -0.04 -0.04 3.22 3.10 2b7oA1 ARG 100 HD3 -0.00 -0.00 -0.02 -0.04 3.22 3.16 2b7oA1 GLY 101 H -0.12 0.49 -0.23 -0.55 8.43 8.03 2b7oA1 GLY 101 HA2 -0.20 0.02 0.39 -0.51 4.01 3.72 2b7oA1 GLY 101 HA3 -0.14 0.02 0.33 -0.51 4.01 3.71 2b7oA1 ASN 102 H -0.23 0.54 -0.11 -0.55 8.53 8.19 2b7oA1 ASN 102 HA -0.13 -0.04 0.53 -0.75 4.76 4.37 2b7oA1 ASN 102 HB2 -0.18 0.14 0.17 -0.04 2.88 2.97 2b7oA1 ASN 102 HB3 -0.11 0.03 0.03 -0.04 2.79 2.69 2b7oA1 ASN 102 HD21 -0.34 -0.04 0.10 -0.04 7.03 6.70 2b7oA1 ASN 102 HD22 -0.21 0.05 0.09 -0.04 7.74 7.63 2b7oA1 VAL 103 H -0.10 0.57 -0.09 -0.55 8.24 8.07 2b7oA1 VAL 103 HA -0.04 0.06 0.46 -0.75 4.13 3.86 2b7oA1 VAL 103 HB -0.06 0.05 0.18 -0.04 2.12 2.25 2b7oA1 VAL 103 HG13 -0.00 -0.01 -0.22 -0.04 0.97 0.71 2b7oA1 VAL 103 HG23 -0.03 0.03 -0.01 -0.04 0.95 0.90 2b7oA1 ARG 104 H -0.15 0.68 -0.04 -0.55 8.46 8.40 2b7oA1 ARG 104 HA -0.08 0.06 0.37 -0.75 4.34 3.94 2b7oA1 ALA 105 H -0.14 0.49 -0.19 -0.55 8.40 8.02 2b7oA1 ALA 105 HA -0.08 -0.04 0.28 -0.75 4.34 3.75 2b7oA1 ALA 105 HB3 -0.08 -0.00 -0.01 -0.04 1.41 1.27 2b7oA1 LEU 106 H -0.04 0.45 -0.34 -0.55 8.37 7.90 2b7oA1 LEU 106 HA -0.00 0.00 0.27 -0.75 4.35 3.87 2b7oA1 LEU 106 HB2 -0.02 0.09 0.05 -0.04 1.64 1.72 2b7oA1 LEU 106 HB3 -0.00 0.06 -0.03 -0.04 1.64 1.63 2b7oA1 LEU 106 HG 0.01 0.04 -0.11 -0.04 1.64 1.54 2b7oA1 LEU 106 HD13 -0.01 -0.00 -0.20 -0.04 0.93 0.68 2b7oA1 LEU 106 HD23 0.01 -0.02 -0.23 -0.04 0.89 0.60 2b7oA1 LEU 107 H 0.03 0.44 -0.18 -0.55 8.37 8.10 2b7oA1 LEU 107 HA 0.05 0.04 0.45 -0.75 4.35 4.14 2b7oA1 LEU 107 HB2 0.17 0.02 0.11 -0.04 1.64 1.91 2b7oA1 LEU 107 HB3 0.14 -0.06 -0.03 -0.04 1.64 1.65 2b7oA1 LEU 107 HG 0.05 0.11 -0.03 -0.04 1.64 1.73 2b7oA1 LEU 107 HD13 0.12 -0.02 -0.19 -0.04 0.93 0.80 2b7oA1 LEU 107 HD23 0.04 -0.00 -0.06 -0.04 0.89 0.83 2b7oA1 GLN 108 H 0.10 0.75 -0.09 -0.55 8.47 8.68 2b7oA1 GLN 108 HA 0.17 -0.06 0.22 -0.75 4.36 3.93 2b7oA1 GLN 108 HB2 0.04 0.20 0.11 -0.04 2.15 2.45 2b7oA1 GLN 108 HB3 0.08 -0.13 0.06 -0.04 2.02 1.99 2b7oA1 GLN 108 HG2 0.42 0.04 0.01 -0.04 2.40 2.84 2b7oA1 GLN 108 HG3 0.29 0.15 -0.01 -0.04 2.39 2.78 2b7oA1 GLN 108 HE21 0.08 -0.05 -0.19 -0.04 6.97 6.77 2b7oA1 GLN 108 HE22 0.15 -0.01 -0.12 -0.04 7.69 7.67 2b7oA1 ALA 110 HA 0.05 -0.11 0.29 -0.75 4.34 3.81 2b7oA1 ALA 110 HB3 0.04 0.02 0.05 -0.04 1.41 1.48 2b7oA1 VAL 111 H 0.02 0.64 -0.49 -0.55 8.24 7.86 2b7oA1 VAL 111 HA -0.00 0.03 0.50 -0.75 4.13 3.90 2b7oA1 VAL 111 HB 0.00 0.03 0.07 -0.04 2.12 2.18 2b7oA1 VAL 111 HG13 0.06 0.03 0.00 -0.04 0.97 1.03 2b7oA1 VAL 111 HG23 -0.09 -0.03 -0.03 -0.04 0.95 0.76 2b7oA1 VAL 112 H -0.06 0.48 0.16 -0.55 8.24 8.27 2b7oA1 VAL 112 HA -0.17 0.02 0.44 -0.75 4.13 3.66 2b7oA1 VAL 112 HB -0.26 0.05 -0.03 -0.04 2.12 1.84 2b7oA1 VAL 112 HG13 -0.69 -0.01 -0.27 -0.04 0.97 -0.04 2b7oA1 VAL 112 HG23 -0.39 0.02 0.02 -0.04 0.95 0.57 2b7oA1 LEU 113 H -0.05 0.18 -0.28 -0.55 8.37 7.68 2b7oA1 LEU 113 HA -0.09 0.06 0.35 -0.75 4.35 3.92 2b7oA1 LEU 113 HB2 0.05 0.11 -0.02 -0.04 1.64 1.74 2b7oA1 LEU 113 HB3 -0.04 0.06 -0.10 -0.04 1.64 1.53 2b7oA1 LEU 113 HG -0.02 -0.10 -0.07 -0.04 1.64 1.41 2b7oA1 LEU 113 HD13 0.19 0.02 -0.07 -0.04 0.93 1.02 2b7oA1 LEU 113 HD23 -0.06 0.01 -0.09 -0.04 0.89 0.71 2b7oA1 THR 114 H 0.01 0.51 -0.26 -0.55 8.28 8.00 2b7oA1 THR 114 HA 0.02 0.08 0.43 -0.75 4.39 4.16 2b7oA1 THR 114 HB 0.03 0.04 0.13 -0.04 4.32 4.47 2b7oA1 THR 114 HG23 0.02 -0.02 -0.06 -0.04 1.22 1.12 2b7oA1 TYR 115 H 0.08 0.46 -0.16 -0.55 8.29 8.12 2b7oA1 TYR 115 HA -0.04 0.01 0.35 -0.75 4.56 4.12 2b7oA1 TYR 115 HB2 -0.10 0.01 0.12 -0.04 3.06 3.05 2b7oA1 TYR 115 HB3 -0.10 0.09 0.13 -0.04 2.98 3.05 2b7oA1 TYR 115 HD2 -0.04 0.03 -0.12 -0.04 7.15 6.96 2b7oA1 TYR 115 HE2 -0.01 -0.04 -0.06 -0.04 6.85 6.70 2b7oA1 GLY 116 H 0.03 0.40 -0.17 -0.55 8.43 8.15 2b7oA1 GLY 116 HA2 -0.02 -0.05 0.26 -0.51 4.01 3.69 2b7oA1 GLY 116 HA3 -0.04 -0.02 0.27 -0.51 4.01 3.71 2b7oA1 ALA 117 H -0.09 0.52 -0.25 -0.55 8.40 8.04 2b7oA1 ALA 117 HA -0.08 0.12 0.39 -0.75 4.34 4.02 2b7oA1 ALA 117 HB3 -0.11 -0.03 -0.02 -0.04 1.41 1.22 2b7oA1 SER 118 H -0.10 0.37 -0.41 -0.55 8.46 7.77 2b7oA1 SER 118 HA -0.10 -0.01 0.18 -0.75 4.49 3.80 2b7oA1 SER 118 HB2 -0.06 0.23 -0.02 -0.04 3.95 4.06 2b7oA1 SER 118 HB3 -0.07 -0.14 0.09 -0.04 3.93 3.77 2b7oA1 PRO 120 HA 0.05 -0.13 0.25 -0.51 4.44 4.10 2b7oA1 PRO 120 HB2 0.05 -0.04 -0.04 -0.04 2.28 2.21 2b7oA1 PRO 120 HB3 0.04 -0.05 0.03 -0.04 2.02 2.00 2b7oA1 PRO 120 HG2 0.03 -0.02 0.07 -0.04 2.03 2.07 2b7oA1 PRO 120 HG3 0.03 -0.06 0.06 -0.04 2.03 2.02 2b7oA1 PRO 120 HD2 0.04 0.30 0.30 -0.04 3.68 4.28 2b7oA1 PRO 120 HD3 0.03 0.00 0.41 -0.04 3.65 4.05 2b7oA1 VAL 121 H 0.07 0.10 0.11 -0.55 8.24 7.97 2b7oA1 VAL 121 HA 0.16 0.36 1.05 -0.75 4.13 4.94 2b7oA1 VAL 121 HB 0.08 -0.06 0.10 -0.04 2.12 2.21 2b7oA1 VAL 121 HG13 0.12 -0.01 -0.22 -0.04 0.97 0.83 2b7oA1 VAL 121 HG23 0.18 -0.02 -0.21 -0.04 0.95 0.85 2b7oA1 VAL 122 H 0.06 0.61 0.25 -0.55 8.24 8.61 2b7oA1 VAL 122 HA 0.09 0.06 0.71 -0.75 4.13 4.25 2b7oA1 VAL 122 HB -0.01 -0.04 0.05 -0.04 2.12 2.08 2b7oA1 VAL 122 HG13 0.02 -0.01 -0.19 -0.04 0.97 0.75 2b7oA1 VAL 122 HG23 0.02 0.02 -0.17 -0.04 0.95 0.78 2b7oA1 LYS 123 H 0.13 0.21 0.17 -0.55 8.42 8.37 2b7oA1 LYS 123 HA 0.04 0.26 0.82 -0.75 4.32 4.68 2b7oA1 LYS 123 HB2 0.02 0.13 0.31 -0.04 1.87 2.30 2b7oA1 LYS 123 HB3 0.02 -0.06 -0.00 -0.04 1.79 1.71 2b7oA1 LYS 123 HG2 0.04 0.06 -0.11 -0.04 1.46 1.41 2b7oA1 LYS 123 HG3 0.05 0.07 -0.14 -0.04 1.46 1.40 2b7oA1 LYS 123 HD2 0.02 -0.07 -0.14 -0.04 1.69 1.46 2b7oA1 LYS 123 HD3 0.03 0.04 -0.05 -0.04 1.68 1.66 2b7oA1 LYS 123 HE2 -0.01 0.09 -0.04 -0.04 2.99 2.99 2b7oA1 LYS 123 HE3 0.01 -0.09 -0.03 -0.04 2.99 2.84 2b7oA1 VAL 124 H 0.01 0.88 0.34 -0.55 8.24 8.91 2b7oA1 VAL 124 HA 0.15 0.08 0.89 -0.75 4.13 4.50 2b7oA1 VAL 124 HB -0.04 -0.02 0.03 -0.04 2.12 2.04 2b7oA1 VAL 124 HG13 0.09 -0.01 -0.36 -0.04 0.97 0.65 2b7oA1 VAL 124 HG23 0.01 0.01 -0.32 -0.04 0.95 0.61 2b7oA1 ALA 125 H 0.09 0.68 0.18 -0.55 8.40 8.81 2b7oA1 ALA 125 HA 0.03 0.25 0.77 -0.75 4.34 4.63 2b7oA1 ALA 125 HB3 0.05 -0.01 -0.01 -0.04 1.41 1.40 2b7oA1 ARG 126 H 0.06 0.47 -0.04 -0.55 8.46 8.40 2b7oA1 ARG 126 HA 0.25 0.27 0.71 -0.75 4.34 4.81 2b7oA1 ARG 126 HB2 0.13 -0.17 -0.12 -0.04 1.90 1.70 2b7oA1 ARG 126 HB3 0.26 0.05 -0.05 -0.04 1.80 2.01 2b7oA1 ARG 126 HG2 0.48 -0.02 -0.19 -0.04 1.67 1.90 2b7oA1 ARG 126 HG3 0.10 -0.03 -0.24 -0.04 1.67 1.46 2b7oA1 ARG 126 HD2 0.35 -0.03 -0.21 -0.04 3.22 3.29 2b7oA1 ARG 126 HD3 0.15 -0.02 -0.16 -0.04 3.22 3.14 2b7oA1 ILE 127 H 0.12 0.65 0.17 -0.55 8.25 8.64 2b7oA1 ILE 127 HA -0.02 -0.01 0.71 -0.75 4.18 4.10 2b7oA1 ILE 127 HB 0.03 0.00 -0.50 -0.04 1.89 1.38 2b7oA1 ILE 127 HG12 0.02 -0.02 0.08 -0.04 1.49 1.53 2b7oA1 ILE 127 HG13 -0.00 -0.04 0.16 -0.04 1.21 1.29 2b7oA1 ILE 127 HG23 0.06 0.04 -0.25 -0.04 0.93 0.75 2b7oA1 ILE 127 HD13 -0.01 -0.00 -0.00 -0.04 0.88 0.82 2b7oA1 ALA 128 H -0.02 0.09 0.14 -0.55 8.40 8.06 2b7oA1 ALA 128 HA 0.06 0.02 0.38 -0.75 4.34 4.04 2b7oA1 ALA 128 HB3 0.07 0.06 0.04 -0.04 1.41 1.55 2b7oA1 GLY 129 H -0.35 -0.17 -0.16 -0.55 8.43 7.20 2b7oA1 GLY 129 HA2 -0.04 0.03 0.18 -0.51 4.01 3.67 2b7oA1 GLY 129 HA3 -0.35 0.30 0.58 -0.51 4.01 4.03 2b7oA1 GLN 130 H -0.35 -0.02 -0.13 -0.55 8.47 7.42 2b7oA1 GLN 130 HA -0.14 0.11 0.58 -0.75 4.36 4.17 2b7oA1 GLN 130 HB2 0.02 0.09 -0.00 -0.04 2.15 2.22 2b7oA1 GLN 130 HB3 -0.13 -0.10 0.07 -0.04 2.02 1.82 2b7oA1 GLN 130 HG2 0.18 0.15 -0.05 -0.04 2.40 2.64 2b7oA1 GLN 130 HG3 0.03 -0.03 0.03 -0.04 2.39 2.37 2b7oA1 GLN 130 HE21 0.05 -0.01 0.09 -0.04 6.97 7.06 2b7oA1 GLN 130 HE22 0.07 0.16 0.08 -0.04 7.69 7.97 2b7oA1 TYR 131 H -0.14 0.51 0.10 -0.55 8.29 8.21 2b7oA1 TYR 131 HA -0.15 0.21 0.60 -0.75 4.56 4.46 2b7oA1 TYR 131 HB2 -0.20 0.14 -0.10 -0.04 3.06 2.86 2b7oA1 TYR 131 HB3 -0.20 -0.06 0.05 -0.04 2.98 2.73 2b7oA1 TYR 131 HD2 -0.18 0.18 -0.17 -0.04 7.15 6.94 2b7oA1 TYR 131 HE2 0.05 0.03 -0.44 -0.04 6.85 6.45 2b7oA1 ALA 132 H -0.08 0.18 0.02 -0.55 8.40 7.98 2b7oA1 ALA 132 HA -0.14 0.36 0.99 -0.75 4.34 4.79 2b7oA1 ALA 132 HB3 -0.09 0.01 0.01 -0.04 1.41 1.30 2b7oA1 LYS 133 H -0.17 0.83 0.21 -0.55 8.42 8.73 2b7oA1 LYS 133 HA -0.07 0.14 0.87 -0.75 4.32 4.51 2b7oA1 LYS 133 HB2 -0.04 0.05 0.03 -0.04 1.87 1.86 2b7oA1 LYS 133 HB3 -0.06 -0.03 -0.18 -0.04 1.79 1.48 2b7oA1 LYS 133 HG2 -0.24 -0.04 -0.43 -0.04 1.46 0.72 2b7oA1 LYS 133 HG3 -0.12 0.08 -0.22 -0.04 1.46 1.17 2b7oA1 LYS 133 HD2 -0.00 -0.04 -0.11 -0.04 1.69 1.49 2b7oA1 LYS 133 HD3 -0.08 -0.05 -0.22 -0.04 1.68 1.29 2b7oA1 LYS 133 HE2 -0.20 -0.11 -0.23 -0.04 2.99 2.41 2b7oA1 LYS 133 HE3 -0.06 0.20 -0.08 -0.04 2.99 3.01 2b7oA1 PRO 134 HA -0.07 0.16 0.68 -0.51 4.44 4.70 2b7oA1 PRO 134 HB2 -0.05 0.01 -0.07 -0.04 2.28 2.12 2b7oA1 PRO 134 HB3 -0.08 0.03 0.03 -0.04 2.02 1.96 2b7oA1 PRO 134 HG2 -0.04 0.02 0.01 -0.04 2.03 1.97 2b7oA1 PRO 134 HG3 -0.05 -0.08 0.02 -0.04 2.03 1.88 2b7oA1 PRO 134 HD2 -0.04 0.10 0.22 -0.04 3.68 3.92 2b7oA1 PRO 134 HD3 -0.06 0.15 0.09 -0.04 3.65 3.78 2b7oA1 ARG 135 H -0.04 0.24 0.14 -0.55 8.46 8.24 2b7oA1 ARG 135 HA -0.01 0.14 0.76 -0.75 4.34 4.47 2b7oA1 ARG 135 HB2 -0.02 -0.00 -0.06 -0.04 1.90 1.78 2b7oA1 ARG 135 HB3 -0.00 -0.04 0.04 -0.04 1.80 1.75 2b7oA1 ARG 135 HG2 -0.06 0.05 -0.49 -0.04 1.67 1.13 2b7oA1 ARG 135 HG3 -0.02 0.01 -0.23 -0.04 1.67 1.39 2b7oA1 ARG 135 HD2 -0.01 0.15 0.05 -0.04 3.22 3.37 2b7oA1 ARG 135 HD3 -0.01 0.16 -0.03 -0.04 3.22 3.29 2b7oA1 SER 136 H 0.00 0.14 0.11 -0.55 8.46 8.17 2b7oA1 SER 136 HA -0.00 0.16 0.64 -0.75 4.49 4.53 2b7oA1 SER 136 HB2 0.01 0.01 0.07 -0.04 3.95 4.00 2b7oA1 SER 136 HB3 0.01 0.02 0.05 -0.04 3.93 3.96 2b7oA1 ALA 137 H 0.00 0.14 -0.02 -0.55 8.40 7.98 2b7oA1 ALA 137 HA -0.00 0.19 0.75 -0.75 4.34 4.53 2b7oA1 ALA 137 HB3 0.00 0.01 0.02 -0.04 1.41 1.40 2b7oA1 ASP 138 H -0.00 0.17 0.09 -0.55 8.40 8.11 2b7oA1 ASP 138 HA 0.01 0.23 0.76 -0.75 4.63 4.88 2b7oA1 ASP 138 HB2 -0.01 0.03 0.05 -0.04 2.71 2.74 2b7oA1 ASP 138 HB3 -0.01 -0.00 0.05 -0.04 2.70 2.70 2b7oA1 ILE 139 H 0.00 0.09 -0.23 -0.55 8.25 7.56 2b7oA1 ILE 139 HA 0.00 0.34 0.84 -0.75 4.18 4.61 2b7oA1 ILE 139 HB -0.00 -0.05 0.02 -0.04 1.89 1.82 2b7oA1 ILE 139 HG12 -0.01 0.11 -0.25 -0.04 1.49 1.30 2b7oA1 ILE 139 HG13 -0.01 -0.15 -0.32 -0.04 1.21 0.69 2b7oA1 ILE 139 HG23 -0.01 0.05 -0.24 -0.04 0.93 0.70 2b7oA1 ILE 139 HD13 -0.01 0.00 -0.08 -0.04 0.88 0.75 2b7oA1 ASP 140 H 0.00 0.64 0.08 -0.55 8.40 8.58 2b7oA1 ASP 140 HA 0.00 0.24 0.79 -0.75 4.63 4.90 2b7oA1 ASP 140 HB2 -0.00 -0.07 0.16 -0.04 2.71 2.76 2b7oA1 ASP 140 HB3 0.01 0.08 0.00 -0.04 2.70 2.75 2b7oA1 ALA 141 H -0.01 0.19 0.14 -0.55 8.40 8.17 2b7oA1 ALA 141 HA -0.02 0.12 0.25 -0.75 4.34 3.94 2b7oA1 ALA 141 HB3 -0.03 0.03 0.09 -0.04 1.41 1.45 2b7oA1 LEU 142 H -0.03 0.01 -0.40 -0.55 8.37 7.40 2b7oA1 LEU 142 HA -0.03 0.21 0.75 -0.75 4.35 4.53 2b7oA1 LEU 142 HB2 -0.05 -0.05 -0.05 -0.04 1.64 1.46 2b7oA1 LEU 142 HB3 -0.04 0.05 0.10 -0.04 1.64 1.70 2b7oA1 LEU 142 HG -0.06 -0.07 -0.06 -0.04 1.64 1.41 2b7oA1 LEU 142 HD13 -0.08 0.02 0.00 -0.04 0.93 0.82 2b7oA1 LEU 142 HD23 -0.05 0.03 -0.07 -0.04 0.89 0.76 2b7oA1 GLY 143 H -0.02 0.55 -0.30 -0.55 8.43 8.12 2b7oA1 GLY 143 HA2 -0.01 0.06 0.22 -0.51 4.01 3.77 2b7oA1 GLY 143 HA3 -0.01 0.05 0.39 -0.51 4.01 3.93 2b7oA1 LEU 144 H -0.02 -0.07 -0.28 -0.55 8.37 7.46 2b7oA1 LEU 144 HA -0.01 0.20 0.83 -0.75 4.35 4.62 2b7oA1 LEU 144 HB2 -0.02 -0.06 -0.17 -0.04 1.64 1.35 2b7oA1 LEU 144 HB3 -0.01 0.11 -0.07 -0.04 1.64 1.62 2b7oA1 LEU 144 HG -0.03 0.08 -0.35 -0.04 1.64 1.29 2b7oA1 LEU 144 HD13 -0.06 0.02 -0.18 -0.04 0.93 0.68 2b7oA1 LEU 144 HD23 -0.02 0.01 -0.17 -0.04 0.89 0.67 2b7oA1 ARG 145 H 0.01 0.08 0.09 -0.55 8.46 8.09 2b7oA1 ARG 145 HA 0.02 0.31 0.69 -0.75 4.34 4.60 2b7oA1 ARG 145 HB2 0.04 -0.06 0.08 -0.04 1.90 1.93 2b7oA1 ARG 145 HB3 0.06 0.16 0.01 -0.04 1.80 1.99 2b7oA1 ARG 145 HG2 -0.01 0.04 0.08 -0.04 1.67 1.74 2b7oA1 ARG 145 HG3 -0.00 -0.09 0.07 -0.04 1.67 1.61 2b7oA1 ARG 145 HD2 -0.04 -0.07 0.01 -0.04 3.22 3.08 2b7oA1 ARG 145 HD3 -0.01 0.07 -0.07 -0.04 3.22 3.17 2b7oA1 SER 146 H 0.03 0.33 0.05 -0.55 8.46 8.33 2b7oA1 SER 146 HA 0.05 -0.12 0.24 -0.75 4.49 3.90 2b7oA1 SER 146 HB2 0.03 -0.01 0.02 -0.04 3.95 3.95 2b7oA1 SER 146 HB3 0.03 0.10 -0.10 -0.04 3.93 3.92 2b7oA1 TYR 147 H 0.14 0.00 0.10 -0.55 8.29 7.98 2b7oA1 TYR 147 HA -0.00 0.16 0.55 -0.75 4.56 4.51 2b7oA1 TYR 147 HB2 -0.05 0.11 0.06 -0.04 3.06 3.15 2b7oA1 TYR 147 HB3 0.02 -0.06 0.11 -0.04 2.98 3.00 2b7oA1 TYR 147 HD2 0.11 0.13 -0.27 -0.04 7.15 7.08 2b7oA1 TYR 147 HE2 0.09 0.20 -0.17 -0.04 6.85 6.93 2b7oA1 ARG 148 H -0.25 0.20 0.06 -0.55 8.46 7.91 2b7oA1 ARG 148 HA -0.25 0.21 0.80 -0.75 4.34 4.34 2b7oA1 ARG 148 HB2 -0.31 0.01 0.02 -0.04 1.90 1.58 2b7oA1 ARG 148 HB3 -0.24 0.04 0.17 -0.04 1.80 1.73 2b7oA1 ARG 148 HG2 -0.10 0.00 -0.21 -0.04 1.67 1.32 2b7oA1 ARG 148 HG3 -0.06 0.10 -0.53 -0.04 1.67 1.13 2b7oA1 ARG 148 HD2 -0.18 -0.02 -0.08 -0.04 3.22 2.90 2b7oA1 ARG 148 HD3 -0.12 0.03 -0.09 -0.04 3.22 3.00 2b7oA1 GLY 149 H -1.51 -0.02 -0.13 -0.55 8.43 6.22 2b7oA1 GLY 149 HA2 -0.59 -0.06 0.26 -0.51 4.01 3.11 2b7oA1 GLY 149 HA3 -0.30 0.20 0.66 -0.51 4.01 4.06 2b7oA1 ASP 150 H -0.14 0.08 0.15 -0.55 8.40 7.95 2b7oA1 ASP 150 HA -0.05 0.26 0.14 -0.75 4.63 4.24 2b7oA1 ASP 150 HB2 -0.88 0.07 0.20 -0.04 2.71 2.06 2b7oA1 ASP 150 HB3 -1.88 -0.01 0.16 -0.04 2.70 0.93 2b7oA1 ILE 152 HA 0.21 -0.18 0.33 -0.75 4.18 3.79 2b7oA1 ILE 152 HB -0.27 0.03 0.01 -0.04 1.89 1.63 2b7oA1 ILE 152 HG12 -0.28 -0.12 0.06 -0.04 1.49 1.11 2b7oA1 ILE 152 HG13 -0.11 0.03 0.07 -0.04 1.21 1.16 2b7oA1 ILE 152 HG23 -0.77 -0.03 -0.10 -0.04 0.93 -0.02 2b7oA1 ILE 152 HD13 -0.25 0.04 0.05 -0.04 0.88 0.68 2b7oA1 ASN 153 H -0.04 0.57 0.07 -0.55 8.53 8.59 2b7oA1 ASN 153 HA 0.13 0.13 0.62 -0.75 4.76 4.88 2b7oA1 ASN 153 HB2 0.14 0.05 0.13 -0.04 2.88 3.16 2b7oA1 ASN 153 HB3 0.07 -0.00 -0.41 -0.04 2.79 2.40 2b7oA1 ASN 153 HD21 0.09 0.39 0.12 -0.04 7.03 7.59 2b7oA1 ASN 153 HD22 0.18 0.48 0.05 -0.04 7.74 8.41 2b7oA1 GLY 154 H 0.14 0.95 0.29 -0.55 8.43 9.26 2b7oA1 GLY 154 HA2 0.16 0.03 0.62 -0.51 4.01 4.30 2b7oA1 GLY 154 HA3 0.09 -0.05 0.34 -0.51 4.01 3.88 2b7oA1 PHE 155 H -0.01 0.11 0.15 -0.55 8.34 8.03 2b7oA1 PHE 155 HA -1.19 0.09 0.47 -0.75 4.62 3.24 2b7oA1 PHE 155 HB2 -0.77 0.02 0.10 -0.04 3.15 2.46 2b7oA1 PHE 155 HB3 -0.29 -0.04 0.07 -0.04 3.06 2.76 2b7oA1 PHE 155 HD2 -0.51 0.02 -0.07 -0.04 7.28 6.68 2b7oA1 PHE 155 HE2 -0.03 0.02 -0.03 -0.04 7.38 7.30 2b7oA1 PHE 155 HZ 0.00 -0.03 -0.04 -0.04 7.32 7.21 2b7oA1 ALA 156 H -0.02 -0.02 -0.19 -0.55 8.40 7.63 2b7oA1 ALA 156 HA -0.09 0.08 0.26 -0.75 4.34 3.83 2b7oA1 ALA 156 HB3 0.00 -0.00 0.00 -0.04 1.41 1.37 2b7oA1 PRO 157 HA -0.14 0.16 0.53 -0.51 4.44 4.49 2b7oA1 PRO 157 HB2 -0.09 -0.02 0.24 -0.04 2.28 2.37 2b7oA1 PRO 157 HB3 -0.15 0.01 0.10 -0.04 2.02 1.94 2b7oA1 PRO 157 HG2 -0.09 0.00 0.10 -0.04 2.03 2.00 2b7oA1 PRO 157 HG3 -0.22 0.07 0.08 -0.04 2.03 1.92 2b7oA1 PRO 157 HD2 -0.07 0.06 0.06 -0.04 3.68 3.69 2b7oA1 PRO 157 HD3 -0.14 0.09 0.17 -0.04 3.65 3.73 2b7oA1 ASP 158 H -0.05 0.71 -0.07 -0.55 8.40 8.45 2b7oA1 ASP 158 HA -0.02 0.10 0.24 -0.75 4.63 4.20 2b7oA1 ASP 158 HB2 -0.00 -0.08 0.12 -0.04 2.71 2.71 2b7oA1 ASP 158 HB3 -0.01 0.19 0.01 -0.04 2.70 2.85 2b7oA1 ALA 159 H 0.00 0.18 0.12 -0.55 8.40 8.16 2b7oA1 ALA 159 HA 0.01 0.11 0.21 -0.75 4.34 3.92 2b7oA1 ALA 159 HB3 0.01 0.03 0.09 -0.04 1.41 1.49 2b7oA1 ALA 160 H 0.02 0.06 -0.07 -0.55 8.40 7.87 2b7oA1 ALA 160 HA 0.04 0.09 0.47 -0.75 4.34 4.18 2b7oA1 ALA 160 HB3 0.03 0.01 0.05 -0.04 1.41 1.47 2b7oA1 ALA 161 H 0.03 0.04 -0.25 -0.55 8.40 7.68 2b7oA1 ALA 161 HA 0.07 0.07 0.41 -0.75 4.34 4.13 2b7oA1 ALA 161 HB3 0.03 0.02 0.06 -0.04 1.41 1.48 2b7oA1 ARG 162 H 0.05 0.15 -0.47 -0.55 8.46 7.64 2b7oA1 ARG 162 HA 0.12 0.11 0.40 -0.75 4.34 4.21 2b7oA1 ARG 162 HB2 0.05 -0.10 0.05 -0.04 1.90 1.86 2b7oA1 ARG 162 HB3 0.09 0.05 0.01 -0.04 1.80 1.91 2b7oA1 ARG 162 HG2 0.01 0.09 -0.05 -0.04 1.67 1.68 2b7oA1 ARG 162 HG3 0.01 -0.16 -0.10 -0.04 1.67 1.37 2b7oA1 ARG 162 HD2 0.09 0.12 -0.24 -0.04 3.22 3.15 2b7oA1 ARG 162 HD3 0.10 0.09 -0.12 -0.04 3.22 3.26 2b7oA1 GLU 163 H 0.10 0.24 -0.20 -0.55 8.60 8.18 2b7oA1 GLU 163 HA 0.12 -0.02 0.58 -0.75 4.29 4.21 2b7oA1 GLU 163 HB2 0.09 0.13 0.12 -0.04 2.09 2.39 2b7oA1 GLU 163 HB3 0.11 -0.00 -0.02 -0.04 1.99 2.04 2b7oA1 GLU 163 HG2 0.05 0.09 0.08 -0.04 2.34 2.51 2b7oA1 GLU 163 HG3 0.05 -0.06 0.05 -0.04 2.34 2.33 2b7oA1 HIS 164 H 0.23 0.03 0.17 -0.55 8.41 8.30 2b7oA1 HIS 164 HA 0.18 0.49 0.64 -0.75 4.63 5.18 2b7oA1 HIS 164 HB2 0.09 -0.09 0.19 -0.04 3.26 3.41 2b7oA1 HIS 164 HB3 -0.01 -0.03 0.08 -0.04 3.20 3.19 2b7oA1 HIS 164 HD2 0.02 0.25 -0.07 -0.04 6.97 7.13 2b7oA1 HIS 164 HE1 -0.15 0.06 -0.00 -0.04 7.75 7.62 2b7oA1 ASP 165 H 0.35 0.60 0.32 -0.55 8.40 9.13 2b7oA1 ASP 165 HA 0.21 0.17 0.99 -0.75 4.63 5.25 2b7oA1 ASP 165 HB2 0.14 0.10 -0.06 -0.04 2.71 2.85 2b7oA1 ASP 165 HB3 0.12 0.01 0.18 -0.04 2.70 2.97 2b7oA1 PRO 166 HA -1.14 0.12 0.32 -0.51 4.44 3.23 2b7oA1 PRO 166 HB2 -0.84 0.17 -0.01 -0.04 2.28 1.55 2b7oA1 PRO 166 HB3 -2.71 0.04 0.02 -0.04 2.02 -0.67 2b7oA1 PRO 166 HG2 -0.37 0.07 -0.13 -0.04 2.03 1.56 2b7oA1 PRO 166 HG3 -0.60 -0.01 -0.11 -0.04 2.03 1.27 2b7oA1 PRO 166 HD2 -0.10 0.07 0.19 -0.04 3.68 3.79 2b7oA1 PRO 166 HD3 0.02 0.21 0.17 -0.04 3.65 4.01 2b7oA1 SER 167 H -0.13 0.10 -0.40 -0.55 8.46 7.48 2b7oA1 SER 167 HA -0.10 0.11 0.59 -0.75 4.49 4.34 2b7oA1 SER 167 HB2 -0.04 0.03 0.09 -0.04 3.95 3.99 2b7oA1 SER 167 HB3 -0.05 -0.01 0.07 -0.04 3.93 3.91 2b7oA1 ARG 168 H -0.02 0.62 -0.09 -0.55 8.46 8.43 2b7oA1 ARG 168 HA 0.06 -0.02 0.51 -0.75 4.34 4.14 2b7oA1 ARG 168 HB2 0.18 0.13 0.18 -0.04 1.90 2.36 2b7oA1 ARG 168 HB3 0.20 0.21 0.14 -0.04 1.80 2.31 2b7oA1 ARG 168 HG2 0.20 -0.10 0.06 -0.04 1.67 1.78 2b7oA1 ARG 168 HG3 0.12 -0.13 0.09 -0.04 1.67 1.71 2b7oA1 ARG 168 HD2 0.19 0.13 -0.18 -0.04 3.22 3.32 2b7oA1 ARG 168 HD3 0.15 0.30 -0.16 -0.04 3.22 3.46 2b7oA1 LEU 169 H -0.10 0.37 -0.42 -0.55 8.37 7.66 2b7oA1 LEU 169 HA 0.08 0.06 0.47 -0.75 4.35 4.20 2b7oA1 LEU 169 HB2 -0.08 0.18 0.13 -0.04 1.64 1.82 2b7oA1 LEU 169 HB3 0.14 0.03 -0.01 -0.04 1.64 1.77 2b7oA1 LEU 169 HG -0.38 -0.08 0.08 -0.04 1.64 1.22 2b7oA1 LEU 169 HD13 -0.13 0.02 -0.02 -0.04 0.93 0.76 2b7oA1 LEU 169 HD23 0.36 -0.02 -0.04 -0.04 0.89 1.15 2b7oA1 VAL 170 H -0.02 0.26 -0.19 -0.55 8.24 7.74 2b7oA1 VAL 170 HA 0.11 0.11 0.42 -0.75 4.13 4.01 2b7oA1 VAL 170 HB -0.03 0.11 0.17 -0.04 2.12 2.33 2b7oA1 VAL 170 HG13 0.02 -0.00 -0.08 -0.04 0.97 0.86 2b7oA1 VAL 170 HG23 -0.04 0.02 -0.01 -0.04 0.95 0.88 2b7oA1 ARG 171 H -0.06 0.43 -0.03 -0.55 8.46 8.24 2b7oA1 ARG 171 HA -0.23 0.02 0.44 -0.75 4.34 3.81 2b7oA1 ARG 171 HB2 -0.16 0.02 0.10 -0.04 1.90 1.82 2b7oA1 ARG 171 HB3 -0.22 0.11 0.11 -0.04 1.80 1.76 2b7oA1 ARG 171 HG2 -1.58 -0.01 -0.11 -0.04 1.67 -0.08 2b7oA1 ARG 171 HG3 -0.49 -0.03 0.07 -0.04 1.67 1.18 2b7oA1 ARG 171 HD2 -0.13 -0.01 0.01 -0.04 3.22 3.06 2b7oA1 ARG 171 HD3 -0.05 0.05 0.01 -0.04 3.22 3.19 2b7oA1 ALA 172 H -0.05 0.56 -0.39 -0.55 8.40 7.97 2b7oA1 ALA 172 HA -0.26 -0.06 0.42 -0.75 4.34 3.69 2b7oA1 ALA 172 HB3 -0.06 0.04 0.05 -0.04 1.41 1.40 2b7oA1 TYR 173 H 0.22 0.51 -0.16 -0.55 8.29 8.30 2b7oA1 TYR 173 HA 0.24 0.04 0.36 -0.75 4.56 4.45 2b7oA1 TYR 173 HB2 0.22 0.05 0.11 -0.04 3.06 3.40 2b7oA1 TYR 173 HB3 0.06 0.08 0.20 -0.04 2.98 3.28 2b7oA1 TYR 173 HD2 0.04 -0.03 -0.04 -0.04 7.15 7.09 2b7oA1 TYR 173 HE2 0.01 0.02 -0.08 -0.04 6.85 6.76 2b7oA1 ALA 174 H -0.03 0.58 -0.09 -0.55 8.40 8.32 2b7oA1 ALA 174 HA -0.38 0.04 0.42 -0.75 4.34 3.66 2b7oA1 ALA 174 HB3 -0.11 0.01 0.09 -0.04 1.41 1.36 2b7oA1 ASN 175 H -0.24 0.52 -0.20 -0.55 8.53 8.06 2b7oA1 ASN 175 HA -0.07 0.00 0.50 -0.75 4.76 4.43 2b7oA1 ASN 175 HB2 -0.28 0.15 0.15 -0.04 2.88 2.86 2b7oA1 ASN 175 HB3 0.17 -0.10 -0.05 -0.04 2.79 2.76 2b7oA1 ASN 175 HD21 -0.57 -0.11 0.04 -0.04 7.03 6.35 2b7oA1 ASN 175 HD22 -0.81 0.63 0.12 -0.04 7.74 7.64 2b7oA1 ALA 176 H 0.01 0.66 -0.14 -0.55 8.40 8.38 2b7oA1 ALA 176 HA 0.15 -0.22 0.39 -0.75 4.34 3.91 2b7oA1 ALA 176 HB3 0.15 0.09 -0.03 -0.04 1.41 1.58 2b7oA1 SER 177 H -0.28 0.69 -0.01 -0.55 8.46 8.32 2b7oA1 SER 177 HA -0.08 0.08 0.53 -0.75 4.49 4.27 2b7oA1 SER 177 HB2 -0.56 0.15 0.19 -0.04 3.95 3.68 2b7oA1 SER 177 HB3 -0.20 -0.08 -0.09 -0.04 3.93 3.52 2b7oA1 ALA 178 H -0.10 0.45 -0.18 -0.55 8.40 8.02 2b7oA1 ALA 178 HA -0.03 0.01 0.48 -0.75 4.34 4.05 2b7oA1 ALA 178 HB3 -0.03 -0.02 0.10 -0.04 1.41 1.42 2b7oA1 ALA 179 H 0.02 0.51 -0.24 -0.55 8.40 8.15 2b7oA1 ALA 179 HA 0.03 -0.06 0.34 -0.75 4.34 3.90 2b7oA1 ALA 179 HB3 0.07 0.01 0.16 -0.04 1.41 1.61 2b7oA1 ASN 181 HA 0.01 -0.08 0.35 -0.75 4.76 4.29 2b7oA1 ASN 181 HB2 -0.00 0.14 0.15 -0.04 2.88 3.13 2b7oA1 ASN 181 HB3 -0.00 0.09 0.09 -0.04 2.79 2.93 2b7oA1 ASN 181 HD21 0.00 -0.07 -0.06 -0.04 7.03 6.86 2b7oA1 ASN 181 HD22 0.00 0.03 -0.05 -0.04 7.74 7.68 2b7oA1 LEU 182 H 0.01 0.56 -0.74 -0.55 8.37 7.65 2b7oA1 LEU 182 HA 0.01 -0.06 0.49 -0.75 4.35 4.04 2b7oA1 LEU 182 HB2 0.01 0.06 0.10 -0.04 1.64 1.77 2b7oA1 LEU 182 HB3 0.01 0.13 0.15 -0.04 1.64 1.90 2b7oA1 LEU 182 HG 0.01 -0.03 -0.15 -0.04 1.64 1.43 2b7oA1 LEU 182 HD13 0.01 -0.03 0.05 -0.04 0.93 0.92 2b7oA1 LEU 182 HD23 0.01 -0.02 -0.01 -0.04 0.89 0.83 2b7oA1 VAL 183 H 0.02 0.80 0.25 -0.55 8.24 8.76 2b7oA1 VAL 183 HA 0.00 -0.04 0.49 -0.75 4.13 3.83 2b7oA1 VAL 183 HB 0.00 -0.08 0.05 -0.04 2.12 2.05 2b7oA1 VAL 183 HG13 0.02 0.02 -0.00 -0.04 0.97 0.96 2b7oA1 VAL 183 HG23 0.01 -0.00 -0.16 -0.04 0.95 0.76 2b7oA1 ARG 184 H 0.02 0.23 -0.28 -0.55 8.46 7.87 2b7oA1 ARG 184 HA -0.01 0.06 0.44 -0.75 4.34 4.07 2b7oA1 ARG 184 HB2 0.01 0.14 0.11 -0.04 1.90 2.12 2b7oA1 ARG 184 HB3 0.01 -0.05 0.02 -0.04 1.80 1.73 2b7oA1 ARG 184 HG2 0.02 -0.02 0.00 -0.04 1.67 1.63 2b7oA1 ARG 184 HG3 0.03 0.02 0.00 -0.04 1.67 1.68 2b7oA1 ARG 184 HD2 0.02 0.05 0.06 -0.04 3.22 3.31 2b7oA1 ARG 184 HD3 0.03 -0.08 0.01 -0.04 3.22 3.13 2b7oA1 ALA 185 H 0.01 0.55 -0.07 -0.55 8.40 8.34 2b7oA1 ALA 185 HA 0.01 0.00 0.40 -0.75 4.34 4.00 2b7oA1 ALA 185 HB3 0.01 0.01 0.11 -0.04 1.41 1.50 2b7oA1 LEU 186 H 0.01 0.73 -0.06 -0.55 8.37 8.51 2b7oA1 LEU 186 HA 0.03 -0.09 0.35 -0.75 4.35 3.89 2b7oA1 LEU 186 HB2 0.01 0.14 0.09 -0.04 1.64 1.84 2b7oA1 LEU 186 HB3 0.02 -0.08 -0.03 -0.04 1.64 1.51 2b7oA1 LEU 186 HG 0.01 0.17 0.03 -0.04 1.64 1.81 2b7oA1 LEU 186 HD13 -0.01 -0.02 -0.10 -0.04 0.93 0.76 2b7oA1 LEU 186 HD23 0.02 -0.04 -0.01 -0.04 0.89 0.82 2b7oA1 THR 187 H 0.00 0.56 -0.22 -0.55 8.28 8.08 2b7oA1 THR 187 HA 0.02 -0.00 0.47 -0.75 4.39 4.12 2b7oA1 THR 187 HB -0.03 0.08 0.01 -0.04 4.32 4.35 2b7oA1 THR 187 HG23 -0.01 -0.02 -0.07 -0.04 1.22 1.08 2b7oA1 SER 188 H 0.01 0.40 -0.23 -0.55 8.46 8.09 2b7oA1 SER 188 HA 0.01 0.17 0.90 -0.75 4.49 4.81 2b7oA1 SER 188 HB2 0.01 -0.10 0.23 -0.04 3.95 4.05 2b7oA1 SER 188 HB3 -0.00 0.00 0.12 -0.04 3.93 4.01 2b7oA1 SER 189 H 0.03 0.34 -0.28 -0.55 8.46 8.00 2b7oA1 SER 189 HA 0.02 0.18 0.89 -0.75 4.49 4.82 2b7oA1 SER 189 HB2 0.04 -0.14 0.22 -0.04 3.95 4.02 2b7oA1 SER 189 HB3 0.03 0.20 0.13 -0.04 3.93 4.24 2b7oA1 GLY 190 H 0.04 0.17 0.14 -0.55 8.43 8.24 2b7oA1 GLY 190 HA2 0.03 0.09 0.48 -0.51 4.01 4.09 2b7oA1 GLY 190 HA3 0.03 0.03 0.35 -0.51 4.01 3.92 2b7oA1 LEU 191 H 0.08 0.09 -0.53 -0.55 8.37 7.46 2b7oA1 LEU 191 HA 0.28 0.03 0.43 -0.75 4.35 4.32 2b7oA1 LEU 191 HB2 0.12 -0.10 0.08 -0.04 1.64 1.70 2b7oA1 LEU 191 HB3 0.11 0.27 -0.06 -0.04 1.64 1.92 2b7oA1 LEU 191 HG 0.32 0.04 -0.03 -0.04 1.64 1.92 2b7oA1 LEU 191 HD13 0.19 -0.02 -0.01 -0.04 0.93 1.05 2b7oA1 LEU 191 HD23 0.02 0.00 -0.08 -0.04 0.89 0.80 2b7oA1 ALA 192 H 0.06 0.36 -0.32 -0.55 8.40 7.96 2b7oA1 ALA 192 HA 0.08 0.11 0.32 -0.75 4.34 4.11 2b7oA1 ALA 192 HB3 0.03 0.01 0.09 -0.04 1.41 1.49 2b7oA1 SER 193 H 0.02 0.06 -0.28 -0.55 8.46 7.72 2b7oA1 SER 193 HA -0.01 0.03 0.42 -0.75 4.49 4.17 2b7oA1 SER 193 HB2 0.03 0.01 0.13 -0.04 3.95 4.07 2b7oA1 SER 193 HB3 -0.00 0.25 0.17 -0.04 3.93 4.30 2b7oA1 LEU 194 H -0.11 0.17 0.20 -0.55 8.37 8.08 2b7oA1 LEU 194 HA -0.10 0.17 0.29 -0.75 4.35 3.94 2b7oA1 LEU 194 HB2 -0.44 -0.05 0.13 -0.04 1.64 1.24 2b7oA1 LEU 194 HB3 -0.26 0.03 0.00 -0.04 1.64 1.37 2b7oA1 LEU 194 HG -0.09 -0.01 0.09 -0.04 1.64 1.59 2b7oA1 LEU 194 HD13 -0.10 0.02 -0.01 -0.04 0.93 0.80 2b7oA1 LEU 194 HD23 -0.04 0.03 0.01 -0.04 0.89 0.84 2b7oA1 HIS 195 H -0.26 0.06 -0.17 -0.55 8.41 7.50 2b7oA1 HIS 195 HA -0.04 0.11 0.37 -0.75 4.63 4.33 2b7oA1 HIS 195 HB2 -0.07 -0.04 0.03 -0.04 3.26 3.15 2b7oA1 HIS 195 HB3 -0.05 0.03 0.03 -0.04 3.20 3.18 2b7oA1 HIS 195 HD2 -0.03 -0.10 0.05 -0.04 6.97 6.85 2b7oA1 HIS 195 HE1 -0.01 0.37 0.07 -0.04 7.75 8.13 2b7oA1 LEU 196 H -0.11 0.14 -0.25 -0.55 8.37 7.60 2b7oA1 LEU 196 HA -0.35 -0.01 0.38 -0.75 4.35 3.61 2b7oA1 LEU 196 HB2 -0.17 -0.08 0.11 -0.04 1.64 1.45 2b7oA1 LEU 196 HB3 -0.45 0.22 0.03 -0.04 1.64 1.40 2b7oA1 LEU 196 HG -0.14 -0.07 0.01 -0.04 1.64 1.40 2b7oA1 LEU 196 HD13 -0.03 0.09 -0.05 -0.04 0.93 0.90 2b7oA1 LEU 196 HD23 -0.52 -0.02 -0.01 -0.04 0.89 0.29 2b7oA1 VAL 197 H -0.36 0.59 -0.15 -0.55 8.24 7.76 2b7oA1 VAL 197 HA -0.91 -0.02 0.31 -0.75 4.13 2.76 2b7oA1 VAL 197 HB -0.04 0.08 0.03 -0.04 2.12 2.15 2b7oA1 VAL 197 HG13 0.25 0.00 -0.33 -0.04 0.97 0.85 2b7oA1 VAL 197 HG23 0.18 0.06 -0.13 -0.04 0.95 1.01 2b7oA1 HIS 198 H -0.05 0.56 -0.19 -0.55 8.41 8.19 2b7oA1 HIS 198 HA 0.04 0.02 0.48 -0.75 4.63 4.42 2b7oA1 HIS 198 HB2 -0.05 0.09 0.06 -0.04 3.26 3.32 2b7oA1 HIS 198 HB3 -0.05 0.06 0.05 -0.04 3.20 3.21 2b7oA1 HIS 198 HD2 0.00 -0.02 -0.08 -0.04 6.97 6.83 2b7oA1 HIS 198 HE1 0.13 -0.01 -0.01 -0.04 7.75 7.81 2b7oA1 ASP 199 H -0.22 0.48 -0.23 -0.55 8.40 7.88 2b7oA1 ASP 199 HA -0.11 -0.01 0.55 -0.75 4.63 4.31 2b7oA1 ASP 199 HB2 -0.39 0.23 0.14 -0.04 2.71 2.64 2b7oA1 ASP 199 HB3 -0.13 -0.11 0.03 -0.04 2.70 2.45 2b7oA1 TRP 200 H -0.29 0.50 -0.19 -0.55 7.97 7.44 2b7oA1 TRP 200 HA 0.02 -0.02 0.60 -0.75 4.62 4.47 2b7oA1 TRP 200 HB2 0.01 0.29 0.14 -0.04 3.23 3.63 2b7oA1 TRP 200 HB3 0.02 -0.09 0.02 -0.04 3.23 3.13 2b7oA1 TRP 200 HD1 0.02 -0.07 -0.02 -0.04 7.22 7.11 2b7oA1 TRP 200 HE1 0.01 -0.06 -0.04 -0.04 10.20 10.07 2b7oA1 TRP 200 HE3 0.01 0.11 0.09 -0.04 7.59 7.77 2b7oA1 TRP 200 HZ2 0.01 -0.08 -0.06 -0.04 7.44 7.28 2b7oA1 TRP 200 HZ3 0.00 0.09 0.00 -0.04 7.13 7.19 2b7oA1 TRP 200 HH2 0.01 0.08 0.03 -0.04 7.19 7.27 2b7oA1 ASN 201 H 0.11 0.34 -0.13 -0.55 8.53 8.30 2b7oA1 ASN 201 HA 0.26 -0.00 0.47 -0.75 4.76 4.73 2b7oA1 ASN 201 HB2 -0.42 0.19 0.20 -0.04 2.88 2.81 2b7oA1 ASN 201 HB3 0.26 -0.06 0.04 -0.04 2.79 3.00 2b7oA1 ASN 201 HD21 0.18 0.24 0.06 -0.04 7.03 7.47 2b7oA1 ASN 201 HD22 0.69 -0.04 0.02 -0.04 7.74 8.37 2b7oA1 ARG 202 H -0.11 0.42 -0.25 -0.55 8.46 7.97 2b7oA1 ARG 202 HA -0.01 0.03 0.47 -0.75 4.34 4.08 2b7oA1 ARG 202 HB2 -0.07 0.10 0.17 -0.04 1.90 2.06 2b7oA1 ARG 202 HB3 -0.02 -0.06 0.00 -0.04 1.80 1.68 2b7oA1 ARG 202 HG2 -0.05 -0.05 -0.07 -0.04 1.67 1.46 2b7oA1 ARG 202 HG3 -0.29 0.15 -0.02 -0.04 1.67 1.47 2b7oA1 ARG 202 HD2 0.01 -0.06 -0.03 -0.04 3.22 3.09 2b7oA1 ARG 202 HD3 0.06 0.03 -0.05 -0.04 3.22 3.22 2b7oA1 GLU 203 H 0.07 0.55 -0.08 -0.55 8.60 8.59 2b7oA1 GLU 203 HA 0.04 -0.01 0.53 -0.75 4.29 4.09 2b7oA1 GLU 203 HB2 0.17 0.13 0.21 -0.04 2.09 2.55 2b7oA1 GLU 203 HB3 0.10 -0.06 0.03 -0.04 1.99 2.02 2b7oA1 GLU 203 HG2 0.06 -0.07 0.05 -0.04 2.34 2.34 2b7oA1 GLU 203 HG3 0.06 0.08 0.10 -0.04 2.34 2.54 2b7oA1 PHE 204 H 0.25 0.63 -0.21 -0.55 8.34 8.46 2b7oA1 PHE 204 HA 0.01 -0.05 0.38 -0.75 4.62 4.21 2b7oA1 PHE 204 HB2 0.05 -0.06 0.06 -0.04 3.15 3.16 2b7oA1 PHE 204 HB3 0.06 0.18 0.17 -0.04 3.06 3.43 2b7oA1 PHE 204 HD2 -0.00 0.06 -0.00 -0.04 7.28 7.29 2b7oA1 PHE 204 HE2 -0.43 -0.02 -0.05 -0.04 7.38 6.84 2b7oA1 PHE 204 HZ -0.23 -0.03 -0.06 -0.04 7.32 6.97 2b7oA1 VAL 205 H -0.02 0.39 -0.34 -0.55 8.24 7.72 2b7oA1 VAL 205 HA -0.61 -0.00 0.45 -0.75 4.13 3.21 2b7oA1 VAL 205 HB -0.06 0.13 0.16 -0.04 2.12 2.31 2b7oA1 VAL 205 HG13 -0.10 -0.03 -0.22 -0.04 0.97 0.58 2b7oA1 VAL 205 HG23 -0.14 0.01 -0.08 -0.04 0.95 0.71 2b7oA1 ARG 206 H -0.07 0.46 -0.12 -0.55 8.46 8.18 2b7oA1 ARG 206 HA -0.08 -0.02 0.41 -0.75 4.34 3.91 2b7oA1 ARG 206 HB2 -0.02 0.08 0.19 -0.04 1.90 2.11 2b7oA1 ARG 206 HB3 -0.03 -0.06 0.02 -0.04 1.80 1.69 2b7oA1 ARG 206 HG2 -0.03 -0.06 0.01 -0.04 1.67 1.55 2b7oA1 ARG 206 HG3 -0.03 0.14 0.03 -0.04 1.67 1.76 2b7oA1 ARG 206 HD2 -0.01 -0.04 -0.01 -0.04 3.22 3.12 2b7oA1 ARG 206 HD3 -0.01 -0.03 -0.03 -0.04 3.22 3.11 2b7oA1 THR 207 H -0.07 0.47 -0.13 -0.55 8.28 8.00 2b7oA1 THR 207 HA -0.05 0.09 0.49 -0.75 4.39 4.17 2b7oA1 THR 207 HB -0.01 -0.08 0.08 -0.04 4.32 4.27 2b7oA1 THR 207 HG23 0.00 0.04 0.00 -0.04 1.22 1.22 2b7oA1 SER 208 H -0.22 0.38 -0.16 -0.55 8.46 7.92 2b7oA1 SER 208 HA -0.08 0.08 0.79 -0.75 4.49 4.53 2b7oA1 SER 208 HB2 -0.11 -0.12 0.10 -0.04 3.95 3.77 2b7oA1 SER 208 HB3 -0.62 0.42 0.19 -0.04 3.93 3.88 2b7oA1 PRO 209 HA -0.08 0.07 0.72 -0.51 4.44 4.64 2b7oA1 PRO 209 HB2 -0.05 0.01 -0.02 -0.04 2.28 2.19 2b7oA1 PRO 209 HB3 -0.05 0.01 0.13 -0.04 2.02 2.08 2b7oA1 PRO 209 HG2 -0.04 0.01 0.10 -0.04 2.03 2.06 2b7oA1 PRO 209 HG3 -0.04 0.08 0.09 -0.04 2.03 2.12 2b7oA1 PRO 209 HD2 -0.04 0.05 0.24 -0.04 3.68 3.89 2b7oA1 PRO 209 HD3 -0.04 0.25 0.29 -0.04 3.65 4.11 2b7oA1 ALA 210 H -0.09 0.14 0.15 -0.55 8.40 8.06 2b7oA1 ALA 210 HA -0.14 -0.01 0.31 -0.75 4.34 3.74 2b7oA1 ALA 210 HB3 -0.10 0.08 0.14 -0.04 1.41 1.49 2b7oA1 GLY 211 H -0.16 0.26 -0.52 -0.55 8.43 7.47 2b7oA1 GLY 211 HA2 -0.29 0.05 0.43 -0.51 4.01 3.70 2b7oA1 GLY 211 HA3 -0.22 0.51 0.36 -0.51 4.01 4.14 2b7oA1 ALA 212 H -0.14 0.10 -0.11 -0.55 8.40 7.70 2b7oA1 ALA 212 HA -0.11 0.04 0.37 -0.75 4.34 3.89 2b7oA1 ALA 212 HB3 -0.09 0.02 0.06 -0.04 1.41 1.35 2b7oA1 ARG 213 H -0.34 0.36 -0.77 -0.55 8.46 7.17 2b7oA1 ARG 213 HA -0.24 0.07 0.61 -0.75 4.34 4.03 2b7oA1 ARG 213 HB2 -0.33 -0.13 0.09 -0.04 1.90 1.49 2b7oA1 ARG 213 HB3 -0.94 0.29 0.12 -0.04 1.80 1.23 2b7oA1 ARG 213 HG2 -0.81 0.04 -0.09 -0.04 1.67 0.77 2b7oA1 ARG 213 HG3 -0.26 -0.01 0.11 -0.04 1.67 1.48 2b7oA1 ARG 213 HD2 -0.18 -0.03 0.02 -0.04 3.22 2.99 2b7oA1 ARG 213 HD3 -0.05 0.02 -0.00 -0.04 3.22 3.15 2b7oA1 TYR 214 H -0.34 0.66 -0.07 -0.55 8.29 7.98 2b7oA1 TYR 214 HA -0.04 0.18 0.87 -0.75 4.56 4.81 2b7oA1 TYR 214 HB2 -0.52 0.08 0.06 -0.04 3.06 2.63 2b7oA1 TYR 214 HB3 -1.05 -0.04 0.11 -0.04 2.98 1.96 2b7oA1 TYR 214 HD2 -0.13 0.04 -0.07 -0.04 7.15 6.95 2b7oA1 TYR 214 HE2 0.07 0.00 -0.08 -0.04 6.85 6.80 2b7oA1 GLU 215 H -0.09 0.22 -0.10 -0.55 8.60 8.09 2b7oA1 GLU 215 HA -0.00 0.06 0.33 -0.75 4.29 3.93 2b7oA1 GLU 215 HB2 -0.06 0.02 0.05 -0.04 2.09 2.06 2b7oA1 GLU 215 HB3 -0.03 0.03 0.06 -0.04 1.99 2.01 2b7oA1 GLU 215 HG2 -0.01 0.00 -0.01 -0.04 2.34 2.27 2b7oA1 GLU 215 HG3 -0.03 0.00 -0.04 -0.04 2.34 2.23 2b7oA1 ALA 216 H 0.03 0.21 -0.26 -0.55 8.40 7.83 2b7oA1 ALA 216 HA 0.04 0.04 0.23 -0.75 4.34 3.90 2b7oA1 ALA 216 HB3 0.04 0.04 0.03 -0.04 1.41 1.47 2b7oA1 LEU 217 H 0.17 0.16 -0.19 -0.55 8.37 7.97 2b7oA1 LEU 217 HA 0.11 0.09 0.46 -0.75 4.35 4.26 2b7oA1 LEU 217 HB2 0.30 -0.01 0.11 -0.04 1.64 2.00 2b7oA1 LEU 217 HB3 0.50 0.05 0.00 -0.04 1.64 2.15 2b7oA1 LEU 217 HG 0.18 0.02 -0.01 -0.04 1.64 1.79 2b7oA1 LEU 217 HD13 0.14 0.02 -0.03 -0.04 0.93 1.02 2b7oA1 LEU 217 HD23 0.11 0.00 -0.02 -0.04 0.89 0.94 2b7oA1 ALA 218 H 0.29 0.55 -0.14 -0.55 8.40 8.55 2b7oA1 ALA 218 HA 0.44 0.04 0.37 -0.75 4.34 4.43 2b7oA1 ALA 218 HB3 0.24 0.01 0.02 -0.04 1.41 1.64 2b7oA1 THR 219 H 0.10 0.72 -0.05 -0.55 8.28 8.50 2b7oA1 THR 219 HA 0.07 -0.00 0.56 -0.75 4.39 4.27 2b7oA1 THR 219 HB 0.04 0.11 0.12 -0.04 4.32 4.54 2b7oA1 THR 219 HG23 0.02 -0.02 -0.11 -0.04 1.22 1.07 2b7oA1 GLU 220 H 0.02 0.56 -0.13 -0.55 8.60 8.50 2b7oA1 GLU 220 HA -0.03 -0.03 0.40 -0.75 4.29 3.87 2b7oA1 GLU 220 HB2 0.00 0.20 0.28 -0.04 2.09 2.52 2b7oA1 GLU 220 HB3 -0.20 0.08 0.04 -0.04 1.99 1.87 2b7oA1 GLU 220 HG2 0.07 -0.04 0.04 -0.04 2.34 2.37 2b7oA1 GLU 220 HG3 0.04 -0.06 0.03 -0.04 2.34 2.31 2b7oA1 ILE 221 H -0.24 0.63 -0.14 -0.55 8.25 7.95 2b7oA1 ILE 221 HA -0.84 0.06 0.39 -0.75 4.18 3.03 2b7oA1 ILE 221 HB -0.47 0.04 0.10 -0.04 1.89 1.52 2b7oA1 ILE 221 HG12 -0.85 0.00 0.01 -0.04 1.49 0.62 2b7oA1 ILE 221 HG13 -0.50 0.23 0.09 -0.04 1.21 0.98 2b7oA1 ILE 221 HG23 -0.71 -0.02 -0.14 -0.04 0.93 0.02 2b7oA1 ILE 221 HD13 -0.18 -0.03 -0.08 -0.04 0.88 0.56 2b7oA1 ASP 222 H 0.01 0.52 -0.16 -0.55 8.40 8.22 2b7oA1 ASP 222 HA 0.09 -0.01 0.45 -0.75 4.63 4.41 2b7oA1 ASP 222 HB2 0.19 0.08 0.15 -0.04 2.71 3.09 2b7oA1 ASP 222 HB3 0.07 0.13 0.19 -0.04 2.70 3.05 2b7oA1 ARG 223 H -0.01 0.61 -0.17 -0.55 8.46 8.33 2b7oA1 ARG 223 HA 0.05 -0.05 0.45 -0.75 4.34 4.04 2b7oA1 ARG 223 HB2 -0.01 0.19 0.16 -0.04 1.90 2.20 2b7oA1 ARG 223 HB3 0.01 -0.04 -0.01 -0.04 1.80 1.72 2b7oA1 ARG 223 HG2 0.02 -0.06 0.02 -0.04 1.67 1.61 2b7oA1 ARG 223 HG3 0.03 -0.05 0.00 -0.04 1.67 1.61 2b7oA1 ARG 223 HD2 0.01 0.11 -0.13 -0.04 3.22 3.17 2b7oA1 ARG 223 HD3 0.00 -0.02 -0.03 -0.04 3.22 3.13 2b7oA1 GLY 224 H -0.04 0.48 -0.17 -0.55 8.43 8.15 2b7oA1 GLY 224 HA2 0.17 -0.00 0.54 -0.51 4.01 4.21 2b7oA1 GLY 224 HA3 0.13 0.09 0.32 -0.51 4.01 4.04 2b7oA1 LEU 225 H 0.02 0.45 -0.19 -0.55 8.37 8.11 2b7oA1 LEU 225 HA 0.10 0.07 0.42 -0.75 4.35 4.18 2b7oA1 LEU 225 HB2 0.10 0.08 0.13 -0.04 1.64 1.90 2b7oA1 LEU 225 HB3 0.20 -0.12 -0.02 -0.04 1.64 1.66 2b7oA1 LEU 225 HG -0.09 0.15 0.01 -0.04 1.64 1.67 2b7oA1 LEU 225 HD13 -0.08 -0.04 -0.10 -0.04 0.93 0.67 2b7oA1 LEU 225 HD23 -0.21 -0.03 -0.08 -0.04 0.89 0.53 2b7oA1 ARG 226 H 0.10 0.52 0.01 -0.55 8.46 8.54 2b7oA1 ARG 226 HA 0.05 0.01 0.54 -0.75 4.34 4.19 2b7oA1 ARG 226 HB2 0.08 0.04 0.12 -0.04 1.90 2.10 2b7oA1 ARG 226 HB3 0.06 -0.07 0.01 -0.04 1.80 1.75 2b7oA1 ARG 226 HG2 0.03 -0.07 0.01 -0.04 1.67 1.60 2b7oA1 ARG 226 HG3 0.07 0.03 0.02 -0.04 1.67 1.75 2b7oA1 ARG 226 HD2 0.05 -0.05 -0.05 -0.04 3.22 3.12 2b7oA1 ARG 226 HD3 0.05 0.03 -0.16 -0.04 3.22 3.09 2b7oA1 PHE 227 H 0.24 0.53 -0.27 -0.55 8.34 8.29 2b7oA1 PHE 227 HA 0.02 -0.06 0.33 -0.75 4.62 4.16 2b7oA1 PHE 227 HB2 0.03 0.02 0.15 -0.04 3.15 3.31 2b7oA1 PHE 227 HB3 0.04 0.27 0.19 -0.04 3.06 3.52 2b7oA1 PHE 227 HD2 0.03 0.04 0.06 -0.04 7.28 7.37 2b7oA1 PHE 227 HE2 0.02 -0.02 0.01 -0.04 7.38 7.35 2b7oA1 PHE 227 HZ 0.01 -0.03 0.01 -0.04 7.32 7.27 2b7oA1 SER 229 HA -0.03 0.09 0.36 -0.75 4.49 4.15 2b7oA1 SER 229 HB2 -0.11 -0.02 0.15 -0.04 3.95 3.93 2b7oA1 SER 229 HB3 -0.04 0.09 0.13 -0.04 3.93 4.07 2b7oA1 ALA 230 H -0.05 0.69 -0.86 -0.55 8.40 7.64 2b7oA1 ALA 230 HA -0.04 -0.05 0.52 -0.75 4.34 4.02 2b7oA1 ALA 230 HB3 -0.02 0.00 0.11 -0.04 1.41 1.47 2b7oA1 CYS 231 H -0.22 0.46 0.19 -0.55 8.50 8.39 2b7oA1 CYS 231 HA -0.14 0.07 0.60 -0.75 4.58 4.36 2b7oA1 CYS 231 HB2 -0.26 0.02 -0.01 -0.04 2.97 2.68 2b7oA1 CYS 231 HB3 -0.18 -0.05 0.15 -0.04 2.97 2.84 2b7oA1 GLY 232 H -0.08 0.45 -0.66 -0.55 8.43 7.60 2b7oA1 GLY 232 HA2 -0.04 0.02 0.23 -0.51 4.01 3.71 2b7oA1 GLY 232 HA3 -0.04 0.06 0.49 -0.51 4.01 4.01 2b7oA1 VAL 233 H -0.06 0.08 -0.38 -0.55 8.24 7.33 2b7oA1 VAL 233 HA -0.02 0.03 0.50 -0.75 4.13 3.88 2b7oA1 VAL 233 HB -0.01 0.08 0.04 -0.04 2.12 2.18 2b7oA1 VAL 233 HG13 0.01 -0.01 -0.23 -0.04 0.97 0.70 2b7oA1 VAL 233 HG23 -0.04 0.01 -0.12 -0.04 0.95 0.75 2b7oA1 ALA 234 H -0.00 0.16 0.24 -0.55 8.40 8.24 2b7oA1 ALA 234 HA 0.01 0.22 0.91 -0.75 4.34 4.73 2b7oA1 ALA 234 HB3 -0.01 0.01 0.06 -0.04 1.41 1.42 2b7oA1 ASP 235 H 0.04 0.16 0.15 -0.55 8.40 8.19 2b7oA1 ASP 235 HA 0.05 0.04 0.42 -0.75 4.63 4.39 2b7oA1 ASP 235 HB2 0.02 0.08 0.05 -0.04 2.71 2.82 2b7oA1 ASP 235 HB3 0.04 -0.01 0.17 -0.04 2.70 2.85 2b7oA1 ARG 236 H 0.01 0.02 -0.28 -0.55 8.46 7.65 2b7oA1 ARG 236 HA 0.01 0.15 0.27 -0.75 4.34 4.01 2b7oA1 ARG 236 HB2 0.00 0.03 0.10 -0.04 1.90 2.00 2b7oA1 ARG 236 HB3 0.00 -0.08 0.08 -0.04 1.80 1.76 2b7oA1 ARG 236 HG2 0.00 0.05 -0.19 -0.04 1.67 1.49 2b7oA1 ARG 236 HG3 0.00 -0.03 -0.02 -0.04 1.67 1.57 2b7oA1 ARG 236 HD2 -0.00 -0.06 -0.03 -0.04 3.22 3.09 2b7oA1 ARG 236 HD3 0.00 0.02 -0.05 -0.04 3.22 3.15 2b7oA1 ASN 237 H 0.01 0.62 -0.07 -0.55 8.53 8.55 2b7oA1 ASN 237 HA 0.00 0.13 0.76 -0.75 4.76 4.90 2b7oA1 LEU 238 H 0.01 0.28 -0.13 -0.55 8.37 7.98 2b7oA1 LEU 238 HA 0.00 0.08 0.35 -0.75 4.35 4.03 2b7oA1 LEU 238 HB2 0.01 0.23 0.21 -0.04 1.64 2.04 2b7oA1 LEU 238 HB3 -0.00 -0.02 -0.04 -0.04 1.64 1.54 2b7oA1 LEU 238 HG 0.00 0.03 -0.06 -0.04 1.64 1.57 2b7oA1 LEU 238 HD13 0.03 -0.02 -0.28 -0.04 0.93 0.62 2b7oA1 LEU 238 HD23 -0.02 -0.02 -0.01 -0.04 0.89 0.80 2b7oA1 GLN 239 H 0.00 0.28 0.05 -0.55 8.47 8.25 2b7oA1 GLN 239 HA 0.00 0.05 0.45 -0.75 4.36 4.10 2b7oA1 GLN 239 HB2 0.00 0.11 -0.04 -0.04 2.15 2.18 2b7oA1 GLN 239 HB3 0.00 0.26 -0.46 -0.04 2.02 1.79 2b7oA1 GLN 239 HG2 -0.00 -0.14 -0.35 -0.04 2.40 1.87 2b7oA1 GLN 239 HG3 -0.00 -0.11 -0.83 -0.04 2.39 1.41 2b7oA1 GLN 239 HE21 -0.01 0.04 -0.08 -0.04 6.97 6.88 2b7oA1 GLN 239 HE22 -0.01 -0.11 -0.12 -0.04 7.69 7.40 2b7oA1 THR 240 H -0.00 0.21 0.12 -0.55 8.28 8.06 2b7oA1 THR 240 HA -0.00 0.10 0.37 -0.75 4.39 4.10 2b7oA1 THR 240 HB -0.02 -0.02 0.06 -0.04 4.32 4.30 2b7oA1 THR 240 HG23 -0.01 0.06 0.03 -0.04 1.22 1.25 2b7oA1 ALA 241 H -0.01 0.16 0.05 -0.55 8.40 8.06 2b7oA1 ALA 241 HA -0.02 0.04 0.48 -0.75 4.34 4.09 2b7oA1 ALA 241 HB3 -0.00 0.04 0.08 -0.04 1.41 1.48 2b7oA1 GLU 242 H -0.06 0.23 0.17 -0.55 8.60 8.39 2b7oA1 GLU 242 HA -0.21 0.14 0.84 -0.75 4.29 4.30 2b7oA1 GLU 242 HB2 -0.13 0.00 0.18 -0.04 2.09 2.10 2b7oA1 GLU 242 HB3 -0.56 -0.02 0.00 -0.04 1.99 1.37 2b7oA1 GLU 242 HG2 -0.13 -0.01 -0.08 -0.04 2.34 2.07 2b7oA1 GLU 242 HG3 -0.07 0.21 -0.21 -0.04 2.34 2.23 2b7oA1 ILE 243 H -0.21 0.23 0.01 -0.55 8.25 7.73 2b7oA1 ILE 243 HA -0.10 0.29 0.81 -0.75 4.18 4.43 2b7oA1 ILE 243 HB -0.05 -0.05 0.03 -0.04 1.89 1.78 2b7oA1 ILE 243 HG12 -0.02 0.09 -0.08 -0.04 1.49 1.44 2b7oA1 ILE 243 HG13 -0.04 -0.08 -0.37 -0.04 1.21 0.68 2b7oA1 ILE 243 HG23 0.01 0.01 -0.18 -0.04 0.93 0.72 2b7oA1 ILE 243 HD13 -0.00 -0.01 -0.09 -0.04 0.88 0.74 2b7oA1 TYR 244 H 0.06 0.69 0.29 -0.55 8.29 8.77 2b7oA1 TYR 244 HA -0.15 0.09 0.63 -0.75 4.56 4.37 2b7oA1 TYR 244 HB2 -0.03 0.05 0.09 -0.04 3.06 3.13 2b7oA1 TYR 244 HB3 -0.03 -0.01 0.04 -0.04 2.98 2.94 2b7oA1 TYR 244 HD2 -0.60 0.07 -0.03 -0.04 7.15 6.55 2b7oA1 TYR 244 HE2 -0.14 0.02 -0.02 -0.04 6.85 6.67 2b7oA1 ALA 245 H 0.91 0.11 0.21 -0.55 8.40 9.08 2b7oA1 ALA 245 HA 0.19 0.19 0.87 -0.75 4.34 4.83 2b7oA1 ALA 245 HB3 0.18 0.04 0.02 -0.04 1.41 1.61 2b7oA1 SER 246 H 0.19 0.54 0.41 -0.55 8.46 9.05 2b7oA1 SER 246 HA 0.10 0.32 0.71 -0.75 4.49 4.86 2b7oA1 SER 246 HB2 0.32 -0.01 -0.12 -0.04 3.95 4.09 2b7oA1 SER 246 HB3 0.19 -0.05 -0.23 -0.04 3.93 3.80 2b7oA1 HIS 247 H -0.35 0.43 0.22 -0.55 8.41 8.16 2b7oA1 HIS 247 HA -0.28 0.04 0.19 -0.75 4.63 3.83 2b7oA1 HIS 247 HB2 -0.25 -0.07 -0.07 -0.04 3.26 2.84 2b7oA1 HIS 247 HB3 -0.10 0.02 -0.26 -0.04 3.20 2.81 2b7oA1 HIS 247 HD2 -0.18 0.41 -0.34 -0.04 6.97 6.81 2b7oA1 HIS 247 HE1 0.15 0.09 -0.33 -0.04 7.75 7.62 2b7oA1 GLU 248 H -0.92 0.14 0.07 -0.55 8.60 7.34 2b7oA1 GLU 248 HA -1.75 0.11 0.72 -0.75 4.29 2.62 2b7oA1 GLU 248 HB2 -0.61 -0.01 0.07 -0.04 2.09 1.49 2b7oA1 GLU 248 HB3 -0.33 0.03 0.08 -0.04 1.99 1.73 2b7oA1 GLU 248 HG2 -0.35 0.16 -0.32 -0.04 2.34 1.78 2b7oA1 GLU 248 HG3 -0.54 -0.03 -0.17 -0.04 2.34 1.56 2b7oA1 ALA 249 H -0.43 0.42 0.23 -0.55 8.40 8.07 2b7oA1 ALA 249 HA -0.03 0.03 0.61 -0.75 4.34 4.21 2b7oA1 ALA 249 HB3 -0.06 0.02 0.01 -0.04 1.41 1.34 2b7oA1 LEU 250 H 0.00 0.14 0.09 -0.55 8.37 8.06 2b7oA1 LEU 250 HA 0.02 0.17 0.78 -0.75 4.35 4.56 2b7oA1 LEU 250 HB2 -0.09 0.07 -0.14 -0.04 1.64 1.43 2b7oA1 LEU 250 HB3 -0.05 -0.01 -0.05 -0.04 1.64 1.50 2b7oA1 LEU 250 HG -0.11 -0.09 -0.17 -0.04 1.64 1.22 2b7oA1 LEU 250 HD13 -0.10 0.02 -0.50 -0.04 0.93 0.32 2b7oA1 LEU 250 HD23 -0.10 -0.00 -0.10 -0.04 0.89 0.65 2b7oA1 VAL 251 H 0.03 0.10 0.10 -0.55 8.24 7.92 2b7oA1 VAL 251 HA 0.01 0.16 0.62 -0.75 4.13 4.17 2b7oA1 VAL 251 HB 0.09 0.01 0.21 -0.04 2.12 2.39 2b7oA1 VAL 251 HG13 0.26 -0.07 -0.01 -0.04 0.97 1.11 2b7oA1 VAL 251 HG23 -0.05 0.04 0.01 -0.04 0.95 0.91 2b7oA1 LEU 252 H -0.04 0.29 0.18 -0.55 8.37 8.26 2b7oA1 LEU 252 HA -0.27 0.06 0.06 -0.75 4.35 3.45 2b7oA1 LEU 252 HB2 -0.13 0.01 0.07 -0.04 1.64 1.54 2b7oA1 LEU 252 HB3 -0.22 0.06 -0.02 -0.04 1.64 1.43 2b7oA1 LEU 252 HG -0.38 0.12 -0.08 -0.04 1.64 1.26 2b7oA1 LEU 252 HD13 -0.45 -0.00 -0.12 -0.04 0.93 0.32 2b7oA1 LEU 252 HD23 -0.61 -0.01 -0.23 -0.04 0.89 0.01 2b7oA1 ASP 253 H 0.11 0.05 -0.17 -0.55 8.40 7.85 2b7oA1 ASP 253 HA 0.07 0.12 0.42 -0.75 4.63 4.49 2b7oA1 ASP 253 HB2 0.38 -0.08 0.00 -0.04 2.71 2.97 2b7oA1 ASP 253 HB3 0.16 0.14 -0.05 -0.04 2.70 2.91 2b7oA1 TYR 254 H 0.24 0.11 -0.31 -0.55 8.29 7.78 2b7oA1 TYR 254 HA 0.04 0.12 0.57 -0.75 4.56 4.54 2b7oA1 TYR 254 HB2 0.11 -0.08 0.08 -0.04 3.06 3.13 2b7oA1 TYR 254 HB3 0.05 0.07 0.16 -0.04 2.98 3.21 2b7oA1 TYR 254 HD2 0.07 -0.04 -0.05 -0.04 7.15 7.09 2b7oA1 TYR 254 HE2 0.09 0.03 -0.02 -0.04 6.85 6.91 2b7oA1 GLU 255 H 0.06 0.38 -0.01 -0.55 8.60 8.48 2b7oA1 GLU 255 HA -0.01 0.03 0.26 -0.75 4.29 3.81 2b7oA1 GLU 255 HB2 -0.66 0.01 -0.03 -0.04 2.09 1.37 2b7oA1 GLU 255 HB3 -0.21 0.01 -0.05 -0.04 1.99 1.70 2b7oA1 GLU 255 HG2 0.01 0.10 -0.10 -0.04 2.34 2.31 2b7oA1 GLU 255 HG3 -0.16 -0.05 -0.16 -0.04 2.34 1.92 2b7oA1 ARG 256 H -0.08 0.51 -0.25 -0.55 8.46 8.09 2b7oA1 ARG 256 HA 0.27 0.06 0.41 -0.75 4.34 4.32 2b7oA1 ARG 256 HB2 0.13 -0.07 0.00 -0.04 1.90 1.93 2b7oA1 ARG 256 HB3 0.05 -0.03 0.05 -0.04 1.80 1.82 2b7oA1 ARG 256 HG2 0.02 0.08 0.04 -0.04 1.67 1.77 2b7oA1 ARG 256 HG3 0.03 0.00 -0.28 -0.04 1.67 1.38 2b7oA1 ARG 256 HD2 0.03 -0.03 -0.12 -0.04 3.22 3.05 2b7oA1 ARG 256 HD3 0.03 -0.12 -0.13 -0.04 3.22 2.96 2b7oA1 ALA 257 H -0.04 0.23 -0.40 -0.55 8.40 7.64 2b7oA1 ALA 257 HA -0.03 0.01 0.32 -0.75 4.34 3.89 2b7oA1 ALA 257 HB3 -0.09 0.00 0.14 -0.04 1.41 1.42 2b7oA1 LEU 259 HA 0.06 -0.05 0.49 -0.75 4.35 4.10 2b7oA1 LEU 259 HB2 0.04 0.10 0.01 -0.04 1.64 1.75 2b7oA1 LEU 259 HB3 0.02 -0.13 -0.06 -0.04 1.64 1.43 2b7oA1 LEU 259 HG 0.21 0.19 0.12 -0.04 1.64 2.12 2b7oA1 LEU 259 HD13 0.08 -0.02 -0.04 -0.04 0.93 0.91 2b7oA1 LEU 259 HD23 -0.05 -0.05 -0.15 -0.04 0.89 0.59 2b7oA1 ARG 260 H 0.08 0.58 0.44 -0.55 8.46 9.00 2b7oA1 ARG 260 HA 0.02 0.22 0.84 -0.75 4.34 4.66 2b7oA1 ARG 260 HB2 0.04 -0.12 0.01 -0.04 1.90 1.78 2b7oA1 ARG 260 HB3 0.01 -0.02 0.11 -0.04 1.80 1.86 2b7oA1 ARG 260 HG2 0.01 0.05 -0.46 -0.04 1.67 1.22 2b7oA1 ARG 260 HG3 0.00 -0.08 -0.03 -0.04 1.67 1.51 2b7oA1 ARG 260 HD2 -0.01 -0.15 0.09 -0.04 3.22 3.11 2b7oA1 ARG 260 HD3 -0.01 0.18 0.21 -0.04 3.22 3.56 2b7oA1 LEU 261 H 0.03 0.21 0.17 -0.55 8.37 8.23 2b7oA1 LEU 261 HA 0.09 0.20 0.75 -0.75 4.35 4.64 2b7oA1 LEU 261 HB2 0.03 -0.02 0.07 -0.04 1.64 1.67 2b7oA1 LEU 261 HB3 0.02 0.01 0.13 -0.04 1.64 1.76 2b7oA1 LEU 261 HG 0.04 0.18 -0.06 -0.04 1.64 1.76 2b7oA1 LEU 261 HD13 0.03 -0.00 -0.17 -0.04 0.93 0.75 2b7oA1 LEU 261 HD23 0.01 -0.02 -0.01 -0.04 0.89 0.83 2b7oA1 SER 262 H 0.19 0.41 0.32 -0.55 8.46 8.83 2b7oA1 SER 262 HA -0.03 0.11 0.67 -0.75 4.49 4.49 2b7oA1 SER 262 HB2 -0.04 -0.16 0.15 -0.04 3.95 3.86 2b7oA1 SER 262 HB3 -0.01 0.11 0.16 -0.04 3.93 4.16 2b7oA1 ASP 263 H -0.02 0.06 0.18 -0.55 8.40 8.07 2b7oA1 ASP 263 HA 0.01 0.23 0.30 -0.75 4.63 4.41 2b7oA1 ASP 263 HB2 -0.00 0.05 0.13 -0.04 2.71 2.85 2b7oA1 ASP 263 HB3 -0.01 0.08 0.12 -0.04 2.70 2.85 2b7oA1 GLY 264 H 0.02 -0.02 -0.28 -0.55 8.43 7.61 2b7oA1 GLY 264 HA2 0.03 0.08 -0.00 -0.51 4.01 3.60 2b7oA1 GLY 264 HA3 0.02 0.14 0.37 -0.51 4.01 4.03 2b7oA1 ASP 265 H 0.00 -0.11 -0.35 -0.55 8.40 7.41 2b7oA1 ASP 265 HA 0.00 0.15 0.53 -0.75 4.63 4.56 2b7oA1 ASP 265 HB2 -0.00 -0.12 0.03 -0.04 2.71 2.58 2b7oA1 ASP 265 HB3 0.00 0.02 0.01 -0.04 2.70 2.70 2b7oA1 ASP 266 H 0.01 -0.17 -0.19 -0.55 8.40 7.50 2b7oA1 ASP 266 HA 0.01 0.11 0.54 -0.75 4.63 4.53 2b7oA1 ASP 266 HB2 0.01 -0.07 0.06 -0.04 2.71 2.67 2b7oA1 ASP 266 HB3 0.04 -0.06 0.10 -0.04 2.70 2.73 2b7oA1 GLY 267 H 0.04 0.01 -0.02 -0.55 8.43 7.91 2b7oA1 GLY 267 HA2 0.01 0.14 0.57 -0.51 4.01 4.22 2b7oA1 GLY 267 HA3 0.02 -0.00 0.35 -0.51 4.01 3.88 2b7oA1 GLU 268 H 0.01 0.09 0.08 -0.55 8.60 8.24 2b7oA1 GLU 268 HA 0.02 0.25 0.82 -0.75 4.29 4.62 2b7oA1 GLU 268 HB2 0.00 0.05 0.12 -0.04 2.09 2.22 2b7oA1 GLU 268 HB3 0.00 -0.03 0.05 -0.04 1.99 1.97 2b7oA1 GLU 268 HG2 -0.01 -0.05 0.04 -0.04 2.34 2.27 2b7oA1 GLU 268 HG3 -0.00 0.05 -0.17 -0.04 2.34 2.18 2b7oA1 PRO 269 HA 0.07 -0.06 0.46 -0.51 4.44 4.40 2b7oA1 PRO 269 HB2 0.02 -0.05 0.05 -0.04 2.28 2.26 2b7oA1 PRO 269 HB3 0.03 0.23 0.06 -0.04 2.02 2.30 2b7oA1 PRO 269 HG2 0.01 -0.00 0.05 -0.04 2.03 2.05 2b7oA1 PRO 269 HG3 0.02 0.08 -0.09 -0.04 2.03 2.00 2b7oA1 PRO 269 HD2 0.01 0.06 0.19 -0.04 3.68 3.90 2b7oA1 PRO 269 HD3 0.02 0.18 0.22 -0.04 3.65 4.03 2b7oA1 GLN 270 H 0.14 0.10 0.30 -0.55 8.47 8.47 2b7oA1 GLN 270 HA -0.00 0.11 0.58 -0.75 4.36 4.29 2b7oA1 GLN 270 HB2 -0.13 0.10 0.14 -0.04 2.15 2.22 2b7oA1 GLN 270 HB3 -0.04 0.06 -0.07 -0.04 2.02 1.94 2b7oA1 GLN 270 HG2 0.15 -0.18 0.06 -0.04 2.40 2.39 2b7oA1 GLN 270 HG3 -0.46 0.09 -0.18 -0.04 2.39 1.80 2b7oA1 GLN 270 HE21 0.05 -0.04 -0.01 -0.04 6.97 6.93 2b7oA1 GLN 270 HE22 0.19 -0.11 -0.01 -0.04 7.69 7.73 2b7oA1 LEU 271 H -0.08 0.20 0.19 -0.55 8.37 8.13 2b7oA1 LEU 271 HA 0.04 0.22 0.64 -0.75 4.35 4.50 2b7oA1 LEU 271 HB2 -0.13 0.19 0.18 -0.04 1.64 1.84 2b7oA1 LEU 271 HB3 -0.10 0.04 -0.07 -0.04 1.64 1.47 2b7oA1 LEU 271 HG -0.04 -0.10 0.03 -0.04 1.64 1.48 2b7oA1 LEU 271 HD13 -0.07 0.02 -0.09 -0.04 0.93 0.75 2b7oA1 LEU 271 HD23 0.00 -0.01 -0.17 -0.04 0.89 0.67 2b7oA1 PHE 272 H 0.21 0.72 0.49 -0.55 8.34 9.21 2b7oA1 PHE 272 HA -0.03 0.01 0.81 -0.75 4.62 4.66 2b7oA1 PHE 272 HB2 -0.00 0.01 0.06 -0.04 3.15 3.18 2b7oA1 PHE 272 HB3 0.00 0.09 -0.11 -0.04 3.06 3.00 2b7oA1 PHE 272 HD2 0.00 0.13 -0.04 -0.04 7.28 7.33 2b7oA1 PHE 272 HE2 0.01 -0.02 -0.04 -0.04 7.38 7.28 2b7oA1 PHE 272 HZ 0.00 -0.02 -0.03 -0.04 7.32 7.23 2b7oA1 ASP 273 H 0.08 0.15 0.10 -0.55 8.40 8.17 2b7oA1 ASP 273 HA 0.11 0.27 0.84 -0.75 4.63 5.10 2b7oA1 ASP 273 HB2 0.14 0.04 0.06 -0.04 2.71 2.91 2b7oA1 ASP 273 HB3 0.12 0.01 0.12 -0.04 2.70 2.91 2b7oA1 LEU 274 H 0.06 0.37 0.01 -0.55 8.37 8.27 2b7oA1 LEU 274 HA 0.04 0.22 0.53 -0.75 4.35 4.39 2b7oA1 LEU 274 HB2 0.02 0.14 0.03 -0.04 1.64 1.79 2b7oA1 LEU 274 HB3 0.01 0.05 0.19 -0.04 1.64 1.85 2b7oA1 LEU 274 HG 0.07 0.04 -0.20 -0.04 1.64 1.50 2b7oA1 LEU 274 HD13 -0.03 0.04 0.01 -0.04 0.93 0.91 2b7oA1 LEU 274 HD23 -0.03 -0.00 -0.43 -0.04 0.89 0.38 2b7oA1 SER 275 H 0.08 0.13 -0.44 -0.55 8.46 7.68 2b7oA1 SER 275 HA 0.12 0.12 0.73 -0.75 4.49 4.70 2b7oA1 SER 275 HB2 0.27 -0.01 0.02 -0.04 3.95 4.20 2b7oA1 SER 275 HB3 -0.03 0.09 -0.05 -0.04 3.93 3.90 2b7oA1 ALA 276 H 0.06 0.35 -0.17 -0.55 8.40 8.09 2b7oA1 ALA 276 HA 0.02 0.07 0.26 -0.75 4.34 3.94 2b7oA1 ALA 276 HB3 0.11 0.05 -0.25 -0.04 1.41 1.28 2b7oA1 HIS 277 H 0.14 0.52 0.24 -0.55 8.41 8.77 2b7oA1 HIS 277 HA 0.10 0.08 0.78 -0.75 4.63 4.84 2b7oA1 HIS 277 HB2 0.16 0.10 0.22 -0.04 3.26 3.70 2b7oA1 HIS 277 HB3 0.07 0.02 0.03 -0.04 3.20 3.27 2b7oA1 HIS 277 HD2 0.15 -0.04 -0.15 -0.04 6.97 6.88 2b7oA1 HIS 277 HE1 0.07 0.11 0.02 -0.04 7.75 7.91 2b7oA1 THR 278 H 0.15 0.35 0.28 -0.55 8.28 8.52 2b7oA1 THR 278 HA 0.06 0.33 0.73 -0.75 4.39 4.76 2b7oA1 THR 278 HB 0.03 0.03 -0.13 -0.04 4.32 4.20 2b7oA1 THR 278 HG23 0.08 -0.05 -0.19 -0.04 1.22 1.02 2b7oA1 VAL 279 H 0.04 0.53 0.25 -0.55 8.24 8.51 2b7oA1 VAL 279 HA -0.13 0.13 0.76 -0.75 4.13 4.14 2b7oA1 VAL 279 HB -0.29 -0.11 0.13 -0.04 2.12 1.81 2b7oA1 VAL 279 HG13 -0.35 -0.03 -0.28 -0.04 0.97 0.27 2b7oA1 VAL 279 HG23 0.03 0.01 -0.12 -0.04 0.95 0.83 2b7oA1 TRP 280 H -0.42 0.26 0.21 -0.55 7.97 7.48 2b7oA1 TRP 280 HA -0.02 0.26 1.07 -0.75 4.62 5.17 2b7oA1 TRP 280 HB2 -0.02 -0.00 -0.18 -0.04 3.23 2.99 2b7oA1 TRP 280 HB3 0.02 0.03 -0.23 -0.04 3.23 3.01 2b7oA1 TRP 280 HD1 -0.06 0.02 -0.66 -0.04 7.22 6.48 2b7oA1 TRP 280 HE1 -0.09 -0.04 -0.17 -0.04 10.20 9.86 2b7oA1 TRP 280 HE3 0.05 0.04 -0.36 -0.04 7.59 7.28 2b7oA1 TRP 280 HZ2 0.03 0.05 -0.09 -0.04 7.44 7.39 2b7oA1 TRP 280 HZ3 0.07 0.07 -0.42 -0.04 7.13 6.81 2b7oA1 TRP 280 HH2 0.14 0.08 -0.17 -0.04 7.19 7.20 2b7oA1 ILE 281 H 0.18 0.65 0.25 -0.55 8.25 8.78 2b7oA1 ILE 281 HA -0.04 0.12 0.84 -0.75 4.18 4.35 2b7oA1 ILE 281 HB -0.00 0.04 0.17 -0.04 1.89 2.06 2b7oA1 ILE 281 HG12 0.09 0.04 -0.10 -0.04 1.49 1.48 2b7oA1 ILE 281 HG13 0.05 -0.09 -0.39 -0.04 1.21 0.74 2b7oA1 ILE 281 HG23 -0.02 0.01 -0.24 -0.04 0.93 0.64 2b7oA1 ILE 281 HD13 0.07 0.02 -0.14 -0.04 0.88 0.78 2b7oA1 GLY 282 H -0.05 0.17 0.03 -0.55 8.43 8.03 2b7oA1 GLY 282 HA2 0.16 0.12 0.37 -0.51 4.01 4.15 2b7oA1 GLY 282 HA3 0.03 0.02 0.29 -0.51 4.01 3.83 2b7oA1 GLU 283 H -0.02 0.17 0.13 -0.55 8.60 8.34 2b7oA1 GLU 283 HA -0.01 0.22 0.41 -0.75 4.29 4.15 2b7oA1 GLU 283 HB2 -0.02 0.06 0.05 -0.04 2.09 2.14 2b7oA1 GLU 283 HB3 -0.03 -0.02 0.11 -0.04 1.99 2.01 2b7oA1 GLU 283 HG2 0.00 0.03 -0.02 -0.04 2.34 2.31 2b7oA1 GLU 283 HG3 0.00 -0.00 -0.16 -0.04 2.34 2.13 2b7oA1 ARG 284 H -0.04 0.07 -0.24 -0.55 8.46 7.69 2b7oA1 ARG 284 HA -0.02 0.18 0.49 -0.75 4.34 4.23 2b7oA1 ARG 284 HB2 -0.06 0.02 -0.03 -0.04 1.90 1.78 2b7oA1 ARG 284 HB3 -0.03 0.02 0.08 -0.04 1.80 1.83 2b7oA1 ARG 284 HG2 -0.01 0.04 -0.10 -0.04 1.67 1.55 2b7oA1 ARG 284 HG3 -0.03 -0.06 -0.06 -0.04 1.67 1.49 2b7oA1 ARG 284 HD2 -0.03 0.00 -0.17 -0.04 3.22 2.99 2b7oA1 ARG 284 HD3 -0.01 0.03 -0.11 -0.04 3.22 3.08 2b7oA1 THR 285 H -0.09 0.35 -0.46 -0.55 8.28 7.54 2b7oA1 THR 285 HA -0.12 0.16 0.96 -0.75 4.39 4.64 2b7oA1 THR 285 HB -1.04 0.02 0.15 -0.04 4.32 3.42 2b7oA1 THR 285 HG23 -0.35 -0.00 -0.22 -0.04 1.22 0.61 2b7oA1 ARG 286 H -0.01 0.21 -0.18 -0.55 8.46 7.92 2b7oA1 ARG 286 HA 0.04 0.17 0.53 -0.75 4.34 4.33 2b7oA1 ARG 286 HB2 -0.07 0.00 0.09 -0.04 1.90 1.88 2b7oA1 ARG 286 HB3 -0.07 0.08 -0.07 -0.04 1.80 1.70 2b7oA1 ARG 286 HG2 0.00 0.03 0.08 -0.04 1.67 1.74 2b7oA1 ARG 286 HG3 0.08 -0.07 -0.08 -0.04 1.67 1.56 2b7oA1 ARG 286 HD2 0.01 -0.06 -0.02 -0.04 3.22 3.10 2b7oA1 ARG 286 HD3 -0.08 0.21 -0.00 -0.04 3.22 3.31 2b7oA1 GLN 287 H 0.06 0.05 -0.52 -0.55 8.47 7.52 2b7oA1 GLN 287 HA 0.08 0.01 0.35 -0.75 4.36 4.04 2b7oA1 GLN 287 HB2 0.07 -0.02 0.08 -0.04 2.15 2.24 2b7oA1 GLN 287 HB3 0.05 -0.03 0.00 -0.04 2.02 2.00 2b7oA1 GLN 287 HG2 0.04 0.01 -0.00 -0.04 2.40 2.41 2b7oA1 GLN 287 HG3 0.04 0.03 0.00 -0.04 2.39 2.42 2b7oA1 GLN 287 HE21 -0.01 0.48 0.14 -0.04 6.97 7.54 2b7oA1 GLN 287 HE22 0.01 -0.04 -0.00 -0.04 7.69 7.62 2b7oA1 ILE 288 H 0.06 0.08 0.21 -0.55 8.25 8.05 2b7oA1 ILE 288 HA 0.13 0.17 0.39 -0.75 4.18 4.12 2b7oA1 ILE 288 HB -0.14 0.02 0.14 -0.04 1.89 1.87 2b7oA1 ILE 288 HG12 -0.14 -0.04 -0.03 -0.04 1.49 1.24 2b7oA1 ILE 288 HG13 -0.04 0.04 -0.03 -0.04 1.21 1.14 2b7oA1 ILE 288 HG23 -0.04 -0.02 -0.01 -0.04 0.93 0.83 2b7oA1 ILE 288 HD13 -0.29 0.04 -0.10 -0.04 0.88 0.49 2b7oA1 ASP 289 H 0.03 -0.05 -0.24 -0.55 8.40 7.60 2b7oA1 ASP 289 HA 0.03 0.32 0.90 -0.75 4.63 5.12 2b7oA1 ASP 289 HB2 0.02 -0.08 0.04 -0.04 2.71 2.65 2b7oA1 ASP 289 HB3 0.02 0.03 0.16 -0.04 2.70 2.87 2b7oA1 GLY 290 H 0.07 0.52 -0.35 -0.55 8.43 8.13 2b7oA1 GLY 290 HA2 0.05 0.20 0.62 -0.51 4.01 4.38 2b7oA1 GLY 290 HA3 0.09 -0.08 0.34 -0.51 4.01 3.85 2b7oA1 ALA 291 H 0.05 0.54 0.06 -0.55 8.40 8.51 2b7oA1 ALA 291 HA 0.03 0.22 0.37 -0.75 4.34 4.20 2b7oA1 ALA 291 HB3 -0.07 0.05 -0.03 -0.04 1.41 1.32 2b7oA1 HIS 292 H 0.15 0.08 -0.11 -0.55 8.41 7.98 2b7oA1 HIS 292 HA 0.05 0.07 0.38 -0.75 4.63 4.37 2b7oA1 HIS 292 HB2 0.02 0.22 0.16 -0.04 3.26 3.62 2b7oA1 HIS 292 HB3 0.01 0.01 -0.01 -0.04 3.20 3.17 2b7oA1 HIS 292 HD2 -0.08 0.26 0.03 -0.04 6.97 7.13 2b7oA1 HIS 292 HE1 -0.04 0.18 0.08 -0.04 7.75 7.93 2b7oA1 ILE 293 H 0.16 0.15 -0.18 -0.55 8.25 7.83 2b7oA1 ILE 293 HA 0.11 0.06 0.46 -0.75 4.18 4.05 2b7oA1 ILE 293 HB 0.12 0.14 0.03 -0.04 1.89 2.14 2b7oA1 ILE 293 HG12 0.14 -0.11 -0.10 -0.04 1.49 1.37 2b7oA1 ILE 293 HG13 0.28 0.09 -0.22 -0.04 1.21 1.32 2b7oA1 ILE 293 HG23 0.13 -0.00 -0.08 -0.04 0.93 0.94 2b7oA1 ILE 293 HD13 0.04 -0.01 -0.05 -0.04 0.88 0.82 2b7oA1 ALA 294 H 0.08 0.36 -0.30 -0.55 8.40 8.00 2b7oA1 ALA 294 HA 0.03 0.04 0.29 -0.75 4.34 3.95 2b7oA1 ALA 294 HB3 0.04 0.01 0.04 -0.04 1.41 1.46 2b7oA1 PHE 295 H 0.18 0.73 -0.11 -0.55 8.34 8.58 2b7oA1 PHE 295 HA -0.02 -0.01 0.49 -0.75 4.62 4.32 2b7oA1 PHE 295 HB2 -0.06 0.02 0.05 -0.04 3.15 3.12 2b7oA1 PHE 295 HB3 -0.03 0.09 0.11 -0.04 3.06 3.19 2b7oA1 PHE 295 HD2 -0.02 0.03 -0.16 -0.04 7.28 7.09 2b7oA1 PHE 295 HE2 -0.01 0.01 -0.17 -0.04 7.38 7.17 2b7oA1 PHE 295 HZ -0.00 0.16 -0.23 -0.04 7.32 7.21 2b7oA1 ALA 296 H 0.17 0.52 -0.19 -0.55 8.40 8.36 2b7oA1 ALA 296 HA -0.02 -0.04 0.34 -0.75 4.34 3.87 2b7oA1 ALA 296 HB3 0.06 0.02 0.07 -0.04 1.41 1.52 2b7oA1 GLN 297 H -0.02 0.27 -0.42 -0.55 8.47 7.76 2b7oA1 GLN 297 HA -0.06 0.10 0.38 -0.75 4.36 4.03 2b7oA1 GLN 297 HB2 -0.04 0.09 0.05 -0.04 2.15 2.21 2b7oA1 GLN 297 HB3 -0.05 -0.07 0.00 -0.04 2.02 1.86 2b7oA1 GLN 297 HG2 -0.02 0.10 -0.10 -0.04 2.40 2.33 2b7oA1 GLN 297 HG3 0.01 0.18 -0.06 -0.04 2.39 2.48 2b7oA1 GLN 297 HE21 0.01 -0.08 -0.05 -0.04 6.97 6.81 2b7oA1 GLN 297 HE22 0.02 -0.01 -0.22 -0.04 7.69 7.44 2b7oA1 VAL 298 H -0.16 0.36 -0.28 -0.55 8.24 7.61 2b7oA1 VAL 298 HA -0.11 0.03 0.55 -0.75 4.13 3.85 2b7oA1 VAL 298 HB -0.20 0.15 0.15 -0.04 2.12 2.18 2b7oA1 VAL 298 HG13 -0.18 -0.05 -0.09 -0.04 0.97 0.61 2b7oA1 VAL 298 HG23 -0.06 -0.03 -0.08 -0.04 0.95 0.73 2b7oA1 ILE 299 H -0.27 0.29 -0.23 -0.55 8.25 7.50 2b7oA1 ILE 299 HA -0.26 0.10 0.56 -0.75 4.18 3.83 2b7oA1 ILE 299 HB -0.19 -0.27 0.03 -0.04 1.89 1.42 2b7oA1 ILE 299 HG12 -0.19 0.18 0.07 -0.04 1.49 1.51 2b7oA1 ILE 299 HG13 -0.12 0.07 -0.18 -0.04 1.21 0.94 2b7oA1 ILE 299 HG23 -0.69 0.05 -0.14 -0.04 0.93 0.10 2b7oA1 ILE 299 HD13 0.02 -0.03 -0.09 -0.04 0.88 0.73 2b7oA1 ALA 300 H -0.43 0.52 0.39 -0.55 8.40 8.34 2b7oA1 ALA 300 HA -0.24 0.19 0.60 -0.75 4.34 4.13 2b7oA1 ALA 300 HB3 -0.99 -0.06 0.08 -0.04 1.41 0.40 2b7oA1 ASN 301 H -0.13 -0.11 -0.22 -0.55 8.53 7.52 2b7oA1 ASN 301 HA 0.06 -0.01 0.28 -0.75 4.76 4.34 2b7oA1 ASN 301 HB2 0.01 -0.06 -0.04 -0.04 2.88 2.75 2b7oA1 ASN 301 HB3 0.06 0.25 0.10 -0.04 2.79 3.15 2b7oA1 ASN 301 HD21 0.14 0.38 0.11 -0.04 7.03 7.62 2b7oA1 ASN 301 HD22 0.11 0.35 -0.13 -0.04 7.74 8.03 2b7oA1 PRO 302 HA -0.02 0.25 0.80 -0.51 4.44 4.96 2b7oA1 PRO 302 HB2 -0.01 -0.14 -0.05 -0.04 2.28 2.04 2b7oA1 PRO 302 HB3 -0.03 0.20 0.09 -0.04 2.02 2.24 2b7oA1 PRO 302 HG2 -0.05 -0.09 -0.03 -0.04 2.03 1.83 2b7oA1 PRO 302 HG3 -0.02 0.03 0.08 -0.04 2.03 2.08 2b7oA1 PRO 302 HD2 0.05 0.20 0.30 -0.04 3.68 4.18 2b7oA1 PRO 302 HD3 0.05 0.07 0.21 -0.04 3.65 3.94 2b7oA1 VAL 303 H -0.01 0.68 0.41 -0.55 8.24 8.76 2b7oA1 VAL 303 HA 0.05 0.23 1.05 -0.75 4.13 4.70 2b7oA1 VAL 303 HB 0.03 -0.08 0.11 -0.04 2.12 2.15 2b7oA1 VAL 303 HG13 0.01 0.05 -0.15 -0.04 0.97 0.84 2b7oA1 VAL 303 HG23 -0.01 0.00 -0.02 -0.04 0.95 0.88 2b7oA1 GLY 304 H 0.13 0.39 0.43 -0.55 8.43 8.84 2b7oA1 GLY 304 HA2 -0.01 0.30 0.89 -0.51 4.01 4.68 2b7oA1 GLY 304 HA3 0.09 -0.06 0.29 -0.51 4.01 3.81 2b7oA1 VAL 305 H -0.06 0.60 0.29 -0.55 8.24 8.52 2b7oA1 VAL 305 HA -0.03 0.11 0.79 -0.75 4.13 4.25 2b7oA1 VAL 305 HB -0.27 -0.03 0.08 -0.04 2.12 1.86 2b7oA1 VAL 305 HG13 -0.57 0.04 -0.11 -0.04 0.97 0.29 2b7oA1 VAL 305 HG23 -0.25 0.01 -0.15 -0.04 0.95 0.52 2b7oA1 LYS 306 H 0.01 0.47 0.13 -0.55 8.42 8.48 2b7oA1 LYS 306 HA -0.06 0.19 0.66 -0.75 4.32 4.36 2b7oA1 LYS 306 HB2 -0.01 -0.15 0.07 -0.04 1.87 1.74 2b7oA1 LYS 306 HB3 -0.06 0.03 -0.02 -0.04 1.79 1.71 2b7oA1 LYS 306 HG2 0.07 0.07 -0.13 -0.04 1.46 1.43 2b7oA1 LYS 306 HG3 -0.06 -0.12 -0.06 -0.04 1.46 1.18 2b7oA1 LYS 306 HD2 -0.22 0.08 -0.11 -0.04 1.69 1.40 2b7oA1 LYS 306 HD3 -0.27 0.01 -0.21 -0.04 1.68 1.17 2b7oA1 LYS 306 HE2 -1.00 0.04 -0.21 -0.04 2.99 1.78 2b7oA1 LYS 306 HE3 -1.30 -0.04 -0.20 -0.04 2.99 1.41 2b7oA1 LEU 307 H 0.00 0.87 0.34 -0.55 8.37 9.04 2b7oA1 LEU 307 HA 0.04 0.11 0.91 -0.75 4.35 4.66 2b7oA1 LEU 307 HB2 0.10 -0.06 0.07 -0.04 1.64 1.71 2b7oA1 LEU 307 HB3 0.10 0.06 -0.02 -0.04 1.64 1.74 2b7oA1 LEU 307 HG 0.05 0.04 -0.19 -0.04 1.64 1.49 2b7oA1 LEU 307 HD13 0.21 -0.00 -0.12 -0.04 0.93 0.98 2b7oA1 LEU 307 HD23 0.04 0.05 -0.24 -0.04 0.89 0.69 2b7oA1 GLY 308 H 0.04 0.09 0.07 -0.55 8.43 8.08 2b7oA1 GLY 308 HA2 0.02 0.42 0.74 -0.51 4.01 4.68 2b7oA1 GLY 308 HA3 0.02 -0.04 0.36 -0.51 4.01 3.85 2b7oA1 PRO 309 HA 0.00 0.11 0.25 -0.51 4.44 4.29 2b7oA1 PRO 309 HB2 0.00 -0.00 -0.01 -0.04 2.28 2.22 2b7oA1 PRO 309 HB3 -0.03 0.03 0.07 -0.04 2.02 2.05 2b7oA1 PRO 309 HG2 0.02 -0.03 0.08 -0.04 2.03 2.06 2b7oA1 PRO 309 HG3 0.02 0.05 0.13 -0.04 2.03 2.19 2b7oA1 PRO 309 HD2 0.02 0.03 0.24 -0.04 3.68 3.93 2b7oA1 PRO 309 HD3 0.01 0.39 0.28 -0.04 3.65 4.29 2b7oA1 ASN 310 H 0.03 0.04 -0.37 -0.55 8.53 7.68 2b7oA1 ASN 310 HA 0.02 0.15 0.51 -0.75 4.76 4.69 2b7oA1 ASN 310 HB2 0.03 -0.01 0.04 -0.04 2.88 2.90 2b7oA1 ASN 310 HB3 0.03 0.01 0.09 -0.04 2.79 2.87 2b7oA1 ASN 310 HD21 0.02 -0.02 -0.02 -0.04 7.03 6.98 2b7oA1 ASN 310 HD22 0.02 0.01 -0.00 -0.04 7.74 7.73 2b7oA1 THR 312 HA 0.02 0.07 0.14 -0.75 4.39 3.87 2b7oA1 THR 312 HB 0.01 -0.01 0.11 -0.04 4.32 4.39 2b7oA1 THR 312 HG23 0.01 0.05 0.21 -0.04 1.22 1.45 2b7oA1 PRO 313 HA 0.06 0.12 0.58 -0.51 4.44 4.70 2b7oA1 PRO 313 HB2 0.02 -0.02 -0.01 -0.04 2.28 2.23 2b7oA1 PRO 313 HB3 0.03 0.21 0.07 -0.04 2.02 2.29 2b7oA1 PRO 313 HG2 0.00 0.03 -0.01 -0.04 2.03 2.01 2b7oA1 PRO 313 HG3 0.01 0.04 -0.24 -0.04 2.03 1.80 2b7oA1 PRO 313 HD2 0.01 0.03 0.17 -0.04 3.68 3.85 2b7oA1 PRO 313 HD3 0.01 0.19 0.11 -0.04 3.65 3.93 2b7oA1 GLU 314 H 0.01 0.10 -0.21 -0.55 8.60 7.96 2b7oA1 GLU 314 HA -0.00 0.16 0.48 -0.75 4.29 4.17 2b7oA1 GLU 314 HB2 -0.01 -0.02 0.05 -0.04 2.09 2.07 2b7oA1 GLU 314 HB3 -0.02 0.03 -0.03 -0.04 1.99 1.93 2b7oA1 GLU 314 HG2 -0.01 0.01 -0.00 -0.04 2.34 2.30 2b7oA1 GLU 314 HG3 -0.00 0.06 -0.02 -0.04 2.34 2.34 2b7oA1 LEU 315 H -0.01 0.15 -0.15 -0.55 8.37 7.81 2b7oA1 LEU 315 HA -0.16 0.03 0.46 -0.75 4.35 3.93 2b7oA1 LEU 315 HB2 -0.05 -0.06 0.08 -0.04 1.64 1.57 2b7oA1 LEU 315 HB3 -0.00 0.23 0.08 -0.04 1.64 1.90 2b7oA1 LEU 315 HG -0.21 0.05 -0.18 -0.04 1.64 1.26 2b7oA1 LEU 315 HD13 -0.36 -0.03 0.05 -0.04 0.93 0.56 2b7oA1 LEU 315 HD23 0.05 0.01 -0.06 -0.04 0.89 0.85 2b7oA1 ALA 316 H 0.04 0.45 -0.24 -0.55 8.40 8.11 2b7oA1 ALA 316 HA 0.28 0.02 0.33 -0.75 4.34 4.22 2b7oA1 ALA 316 HB3 0.17 0.05 0.07 -0.04 1.41 1.66 2b7oA1 VAL 317 H 0.02 0.38 -0.27 -0.55 8.24 7.82 2b7oA1 VAL 317 HA 0.01 0.05 0.44 -0.75 4.13 3.88 2b7oA1 VAL 317 HB -0.00 0.06 0.12 -0.04 2.12 2.26 2b7oA1 VAL 317 HG13 -0.01 -0.01 -0.11 -0.04 0.97 0.79 2b7oA1 VAL 317 HG23 0.04 0.04 -0.06 -0.04 0.95 0.93 2b7oA1 GLU 318 H -0.10 0.37 -0.27 -0.55 8.60 8.05 2b7oA1 GLU 318 HA -0.09 0.02 0.54 -0.75 4.29 4.00 2b7oA1 GLU 318 HB2 -0.23 0.11 0.22 -0.04 2.09 2.14 2b7oA1 GLU 318 HB3 -0.24 -0.02 -0.02 -0.04 1.99 1.66 2b7oA1 GLU 318 HG2 -0.08 -0.01 0.04 -0.04 2.34 2.24 2b7oA1 GLU 318 HG3 -0.08 0.02 0.02 -0.04 2.34 2.26 2b7oA1 TYR 319 H -0.21 0.49 -0.13 -0.55 8.29 7.89 2b7oA1 TYR 319 HA -0.03 0.02 0.46 -0.75 4.56 4.26 2b7oA1 TYR 319 HB2 -0.02 0.19 0.12 -0.04 3.06 3.31 2b7oA1 TYR 319 HB3 -0.03 -0.02 -0.05 -0.04 2.98 2.84 2b7oA1 TYR 319 HD2 0.01 -0.01 -0.04 -0.04 7.15 7.07 2b7oA1 TYR 319 HE2 0.02 0.02 -0.08 -0.04 6.85 6.77 2b7oA1 VAL 320 H 0.01 0.36 -0.27 -0.55 8.24 7.80 2b7oA1 VAL 320 HA -0.10 0.01 0.24 -0.75 4.13 3.52 2b7oA1 VAL 320 HB -0.12 0.15 0.15 -0.04 2.12 2.26 2b7oA1 VAL 320 HG13 -0.44 -0.00 -0.13 -0.04 0.97 0.36 2b7oA1 VAL 320 HG23 -0.05 0.04 -0.03 -0.04 0.95 0.86 2b7oA1 GLU 321 H -0.10 0.44 -0.19 -0.55 8.60 8.20 2b7oA1 GLU 321 HA -0.16 0.07 0.31 -0.75 4.29 3.76 2b7oA1 GLU 321 HB2 -0.07 0.03 0.11 -0.04 2.09 2.13 2b7oA1 GLU 321 HB3 -0.05 -0.06 -0.01 -0.04 1.99 1.82 2b7oA1 GLU 321 HG2 -0.05 -0.01 0.00 -0.04 2.34 2.24 2b7oA1 GLU 321 HG3 -0.10 0.13 0.04 -0.04 2.34 2.37 2b7oA1 ARG 322 H -0.04 0.53 -0.15 -0.55 8.46 8.25 2b7oA1 ARG 322 HA -0.04 0.02 0.57 -0.75 4.34 4.14 2b7oA1 ARG 322 HB2 0.05 0.03 0.11 -0.04 1.90 2.05 2b7oA1 ARG 322 HB3 0.01 -0.02 -0.01 -0.04 1.80 1.74 2b7oA1 ARG 322 HG2 -0.03 0.03 0.04 -0.04 1.67 1.67 2b7oA1 ARG 322 HG3 -0.00 -0.05 -0.01 -0.04 1.67 1.57 2b7oA1 ARG 322 HD2 -0.00 0.02 -0.01 -0.04 3.22 3.19 2b7oA1 ARG 322 HD3 -0.02 -0.01 -0.01 -0.04 3.22 3.14 2b7oA1 LEU 323 H -0.02 0.62 -0.12 -0.55 8.37 8.30 2b7oA1 LEU 323 HA -0.04 0.17 0.37 -0.75 4.35 4.10 2b7oA1 LEU 323 HB2 -0.01 0.05 -0.05 -0.04 1.64 1.59 2b7oA1 LEU 323 HB3 -0.02 -0.00 -0.01 -0.04 1.64 1.56 2b7oA1 LEU 323 HG 0.08 -0.06 -0.04 -0.04 1.64 1.57 2b7oA1 LEU 323 HD13 0.01 -0.04 -0.09 -0.04 0.93 0.77 2b7oA1 LEU 323 HD23 0.02 0.03 -0.20 -0.04 0.89 0.69 2b7oA1 ASP 324 H -0.09 0.48 -0.23 -0.55 8.40 8.01 2b7oA1 ASP 324 HA -0.04 0.15 0.67 -0.75 4.63 4.65 2b7oA1 ASP 324 HB2 -0.03 0.01 -0.14 -0.04 2.71 2.51 2b7oA1 ASP 324 HB3 -0.08 0.09 0.11 -0.04 2.70 2.78 2b7oA1 PRO 325 HA -0.04 0.11 0.29 -0.51 4.44 4.29 2b7oA1 PRO 325 HB2 -0.26 -0.08 -0.01 -0.04 2.28 1.89 2b7oA1 PRO 325 HB3 -0.14 0.17 0.13 -0.04 2.02 2.13 2b7oA1 PRO 325 HG2 -0.92 -0.09 0.02 -0.04 2.03 1.00 2b7oA1 PRO 325 HG3 -0.30 0.11 0.04 -0.04 2.03 1.84 2b7oA1 PRO 325 HD2 -0.19 0.16 -0.23 -0.04 3.68 3.38 2b7oA1 PRO 325 HD3 -0.14 0.37 -0.33 -0.04 3.65 3.51 2b7oA1 HIS 326 H -0.22 0.14 -0.33 -0.55 8.41 7.46 2b7oA1 HIS 326 HA 0.02 0.13 0.51 -0.75 4.63 4.54 2b7oA1 HIS 326 HB2 0.00 0.02 -0.07 -0.04 3.26 3.17 2b7oA1 HIS 326 HB3 -0.00 -0.02 0.08 -0.04 3.20 3.21 2b7oA1 HIS 326 HD2 0.00 0.01 -0.14 -0.04 6.97 6.80 2b7oA1 HIS 326 HE1 -0.03 0.04 -0.02 -0.04 7.75 7.70 2b7oA1 ASN 327 H 0.17 0.52 -0.46 -0.55 8.53 8.21 2b7oA1 ASN 327 HA 0.11 0.01 0.25 -0.75 4.76 4.38 2b7oA1 ASN 327 HB2 -0.18 0.01 -0.24 -0.04 2.88 2.42 2b7oA1 ASN 327 HB3 -0.08 0.05 0.19 -0.04 2.79 2.90 2b7oA1 ASN 327 HD21 -0.14 0.11 0.09 -0.04 7.03 7.04 2b7oA1 ASN 327 HD22 -0.08 -0.01 -0.06 -0.04 7.74 7.55 2b7oA1 LYS 328 H 0.06 0.08 -0.15 -0.55 8.42 7.86 2b7oA1 LYS 328 HA 0.01 0.23 0.88 -0.75 4.32 4.68 2b7oA1 LYS 328 HB2 0.03 -0.04 0.09 -0.04 1.87 1.91 2b7oA1 LYS 328 HB3 0.02 0.06 -0.01 -0.04 1.79 1.82 2b7oA1 LYS 328 HG2 0.09 -0.04 -0.33 -0.04 1.46 1.14 2b7oA1 LYS 328 HG3 0.05 -0.02 -0.06 -0.04 1.46 1.40 2b7oA1 LYS 328 HD2 0.01 -0.06 -0.01 -0.04 1.69 1.59 2b7oA1 LYS 328 HD3 0.01 0.13 0.03 -0.04 1.68 1.81 2b7oA1 LYS 328 HE2 0.03 0.21 -0.08 -0.04 2.99 3.11 2b7oA1 LYS 328 HE3 -0.01 -0.08 -0.04 -0.04 2.99 2.82 2b7oA1 PRO 329 HA -0.01 0.15 0.43 -0.51 4.44 4.51 2b7oA1 PRO 329 HB2 -0.01 -0.00 0.11 -0.04 2.28 2.33 2b7oA1 PRO 329 HB3 -0.01 0.07 0.12 -0.04 2.02 2.15 2b7oA1 PRO 329 HG2 -0.01 0.00 0.10 -0.04 2.03 2.08 2b7oA1 PRO 329 HG3 -0.01 0.05 0.09 -0.04 2.03 2.11 2b7oA1 PRO 329 HD2 -0.00 0.04 0.19 -0.04 3.68 3.87 2b7oA1 PRO 329 HD3 -0.01 0.36 0.25 -0.04 3.65 4.21 2b7oA1 GLY 330 H -0.04 0.47 0.30 -0.55 8.43 8.62 2b7oA1 GLY 330 HA2 -0.06 -0.01 0.24 -0.51 4.01 3.66 2b7oA1 GLY 330 HA3 -0.04 0.09 0.03 -0.51 4.01 3.58 2b7oA1 ARG 331 H -0.02 0.48 -0.35 -0.55 8.46 8.02 2b7oA1 ARG 331 HA -0.03 0.05 0.64 -0.75 4.34 4.25 2b7oA1 ARG 331 HB2 -0.01 -0.04 0.08 -0.04 1.90 1.90 2b7oA1 ARG 331 HB3 -0.00 0.17 0.18 -0.04 1.80 2.10 2b7oA1 ARG 331 HG2 -0.01 -0.10 0.07 -0.04 1.67 1.59 2b7oA1 ARG 331 HG3 -0.03 0.01 -0.12 -0.04 1.67 1.49 2b7oA1 ARG 331 HD2 -0.03 -0.19 0.16 -0.04 3.22 3.12 2b7oA1 ARG 331 HD3 -0.03 0.03 0.01 -0.04 3.22 3.18 2b7oA1 LEU 332 H -0.06 0.06 -0.10 -0.55 8.37 7.72 2b7oA1 LEU 332 HA -0.06 0.39 0.99 -0.75 4.35 4.92 2b7oA1 LEU 332 HB2 -0.06 0.13 -0.23 -0.04 1.64 1.44 2b7oA1 LEU 332 HB3 -0.09 -0.09 -0.05 -0.04 1.64 1.37 2b7oA1 LEU 332 HG -0.14 -0.08 -0.50 -0.04 1.64 0.87 2b7oA1 LEU 332 HD13 -0.07 0.02 -0.19 -0.04 0.93 0.65 2b7oA1 LEU 332 HD23 -0.08 -0.01 -0.28 -0.04 0.89 0.48 2b7oA1 THR 333 H -0.07 0.65 0.35 -0.55 8.28 8.66 2b7oA1 THR 333 HA -0.18 0.15 1.00 -0.75 4.39 4.60 2b7oA1 THR 333 HB -0.05 -0.09 0.04 -0.04 4.32 4.18 2b7oA1 THR 333 HG23 -0.09 -0.02 -0.34 -0.04 1.22 0.73 2b7oA1 LEU 334 H -0.31 0.62 0.22 -0.55 8.37 8.35 2b7oA1 LEU 334 HA -0.08 0.16 0.98 -0.75 4.35 4.66 2b7oA1 LEU 334 HB2 -0.44 0.00 0.11 -0.04 1.64 1.27 2b7oA1 LEU 334 HB3 0.06 -0.01 -0.03 -0.04 1.64 1.62 2b7oA1 LEU 334 HG -0.35 -0.03 -0.22 -0.04 1.64 1.01 2b7oA1 LEU 334 HD13 -0.27 0.00 -0.10 -0.04 0.93 0.52 2b7oA1 LEU 334 HD23 -0.07 0.02 -0.11 -0.04 0.89 0.70 2b7oA1 VAL 335 H -0.02 0.71 0.21 -0.55 8.24 8.59 2b7oA1 VAL 335 HA 0.02 0.28 0.77 -0.75 4.13 4.45 2b7oA1 VAL 335 HB -0.10 -0.14 -0.01 -0.04 2.12 1.84 2b7oA1 VAL 335 HG13 -0.14 -0.00 -0.35 -0.04 0.97 0.43 2b7oA1 VAL 335 HG23 -0.08 0.02 -0.33 -0.04 0.95 0.52 2b7oA1 SER 336 H 0.12 0.68 0.34 -0.55 8.46 9.05 2b7oA1 SER 336 HA 0.09 0.16 0.66 -0.75 4.49 4.65 2b7oA1 SER 336 HB2 0.24 0.01 0.04 -0.04 3.95 4.21 2b7oA1 SER 336 HB3 0.28 0.09 0.18 -0.04 3.93 4.44 2b7oA1 ARG 337 H 0.02 0.75 0.32 -0.55 8.46 9.00 2b7oA1 ARG 337 HA -0.01 0.33 0.60 -0.75 4.34 4.51 2b7oA1 ARG 337 HB2 0.03 -0.07 -0.10 -0.04 1.90 1.72 2b7oA1 ARG 337 HB3 -0.01 0.18 0.06 -0.04 1.80 1.99 2b7oA1 ARG 337 HG2 -0.03 -0.05 -0.13 -0.04 1.67 1.41 2b7oA1 ARG 337 HG3 -0.03 0.07 -0.21 -0.04 1.67 1.47 2b7oA1 ARG 337 HD2 -0.01 -0.11 -0.39 -0.04 3.22 2.67 2b7oA1 ARG 337 HD3 0.01 0.02 -0.10 -0.04 3.22 3.11 2b7oA1 GLY 339 HA2 0.04 0.00 0.18 -0.51 4.01 3.72 2b7oA1 GLY 339 HA3 -0.11 0.01 0.28 -0.51 4.01 3.69 2b7oA1 ASN 340 H 0.11 0.17 0.11 -0.55 8.53 8.38 2b7oA1 ASN 340 HA 0.02 0.13 0.47 -0.75 4.76 4.63 2b7oA1 ASN 340 HB2 0.04 -0.02 -0.05 -0.04 2.88 2.81 2b7oA1 ASN 340 HB3 0.05 0.22 0.21 -0.04 2.79 3.23 2b7oA1 ASN 340 HD21 0.04 -0.03 -0.05 -0.04 7.03 6.94 2b7oA1 ASN 340 HD22 0.04 0.02 -0.07 -0.04 7.74 7.69 2b7oA1 HIS 341 H 0.26 0.09 -0.15 -0.55 8.41 8.07 2b7oA1 HIS 341 HA 0.00 0.14 0.59 -0.75 4.63 4.61 2b7oA1 HIS 341 HB2 -0.00 0.03 0.10 -0.04 3.26 3.35 2b7oA1 HIS 341 HB3 -0.00 -0.02 0.07 -0.04 3.20 3.20 2b7oA1 HIS 341 HD2 0.00 0.01 -0.09 -0.04 6.97 6.85 2b7oA1 HIS 341 HE1 0.02 0.15 0.09 -0.04 7.75 7.96 2b7oA1 LYS 342 H -0.29 0.29 -0.42 -0.55 8.42 7.44 2b7oA1 LYS 342 HA -0.10 0.20 0.97 -0.75 4.32 4.63 2b7oA1 LYS 342 HB2 -0.30 0.12 0.02 -0.04 1.87 1.66 2b7oA1 LYS 342 HB3 -0.12 0.02 0.04 -0.04 1.79 1.68 2b7oA1 LYS 342 HG2 -0.09 0.02 -0.03 -0.04 1.46 1.32 2b7oA1 LYS 342 HG3 -0.37 -0.09 -0.39 -0.04 1.46 0.57 2b7oA1 LYS 342 HD2 -0.35 -0.01 -0.02 -0.04 1.69 1.27 2b7oA1 LYS 342 HD3 -0.10 0.05 -0.01 -0.04 1.68 1.58 2b7oA1 LYS 342 HE2 0.02 0.02 -0.02 -0.04 2.99 2.97 2b7oA1 LYS 342 HE3 0.14 -0.03 -0.05 -0.04 2.99 3.01 2b7oA1 VAL 343 H -0.06 0.25 0.01 -0.55 8.24 7.89 2b7oA1 VAL 343 HA -0.03 0.05 0.21 -0.75 4.13 3.61 2b7oA1 VAL 343 HB 0.01 0.15 0.09 -0.04 2.12 2.33 2b7oA1 VAL 343 HG13 0.04 0.05 -0.01 -0.04 0.97 1.01 2b7oA1 VAL 343 HG23 0.08 0.02 -0.08 -0.04 0.95 0.92 2b7oA1 ARG 344 H -0.02 0.11 -0.15 -0.55 8.46 7.85 2b7oA1 ARG 344 HA -0.05 0.14 0.34 -0.75 4.34 4.02 2b7oA1 ARG 344 HB2 -0.01 -0.03 0.02 -0.04 1.90 1.83 2b7oA1 ARG 344 HB3 -0.02 0.04 0.04 -0.04 1.80 1.81 2b7oA1 ARG 344 HG2 0.00 0.00 0.04 -0.04 1.67 1.67 2b7oA1 ARG 344 HG3 0.00 0.05 0.07 -0.04 1.67 1.75 2b7oA1 ARG 344 HD2 0.00 -0.10 0.05 -0.04 3.22 3.13 2b7oA1 ARG 344 HD3 0.01 -0.01 0.02 -0.04 3.22 3.19 2b7oA1 ASP 345 H -0.04 0.06 -0.38 -0.55 8.40 7.50 2b7oA1 ASP 345 HA -0.04 0.12 0.55 -0.75 4.63 4.50 2b7oA1 ASP 345 HB2 -0.03 0.08 0.08 -0.04 2.71 2.80 2b7oA1 ASP 345 HB3 -0.02 -0.03 0.02 -0.04 2.70 2.63 2b7oA1 LEU 346 H -0.05 0.49 0.03 -0.55 8.37 8.30 2b7oA1 LEU 346 HA -0.03 0.07 0.37 -0.75 4.35 4.00 2b7oA1 LEU 346 HB2 -0.03 0.03 0.01 -0.04 1.64 1.61 2b7oA1 LEU 346 HB3 -0.02 0.01 -0.01 -0.04 1.64 1.58 2b7oA1 LEU 346 HG -0.04 0.00 0.07 -0.04 1.64 1.64 2b7oA1 LEU 346 HD13 -0.03 0.03 0.04 -0.04 0.93 0.93 2b7oA1 LEU 346 HD23 -0.01 -0.01 -0.04 -0.04 0.89 0.79 2b7oA1 LEU 347 H -0.07 0.47 -0.01 -0.55 8.37 8.21 2b7oA1 LEU 347 HA -0.07 0.03 0.46 -0.75 4.35 4.02 2b7oA1 LEU 347 HB2 -0.04 -0.06 0.08 -0.04 1.64 1.57 2b7oA1 LEU 347 HB3 -0.17 0.16 0.09 -0.04 1.64 1.68 2b7oA1 LEU 347 HG -0.43 -0.03 -0.16 -0.04 1.64 0.97 2b7oA1 LEU 347 HD13 -0.05 -0.02 -0.00 -0.04 0.93 0.81 2b7oA1 LEU 347 HD23 -0.08 0.01 -0.04 -0.04 0.89 0.74 2b7oA1 PRO 348 HA -0.26 0.02 0.28 -0.51 4.44 3.97 2b7oA1 PRO 348 HB2 -0.10 0.03 0.04 -0.04 2.28 2.21 2b7oA1 PRO 348 HB3 -0.14 0.01 0.06 -0.04 2.02 1.92 2b7oA1 PRO 348 HG2 -0.10 0.16 0.12 -0.04 2.03 2.18 2b7oA1 PRO 348 HG3 -0.16 -0.04 0.10 -0.04 2.03 1.88 2b7oA1 PRO 348 HD2 -0.09 0.23 -0.53 -0.04 3.68 3.25 2b7oA1 PRO 348 HD3 -0.13 0.12 0.00 -0.04 3.65 3.61 2b7oA1 PRO 349 HA -0.05 0.05 0.53 -0.51 4.44 4.46 2b7oA1 PRO 349 HB2 -0.02 -0.03 -0.01 -0.04 2.28 2.19 2b7oA1 PRO 349 HB3 -0.03 -0.02 0.09 -0.04 2.02 2.02 2b7oA1 PRO 349 HG2 -0.03 0.10 0.04 -0.04 2.03 2.10 2b7oA1 PRO 349 HG3 -0.03 0.01 0.06 -0.04 2.03 2.02 2b7oA1 PRO 349 HD2 -0.07 0.19 -0.50 -0.04 3.68 3.25 2b7oA1 PRO 349 HD3 -0.06 0.14 0.04 -0.04 3.65 3.73 2b7oA1 ILE 350 H -0.06 0.37 -0.25 -0.55 8.25 7.77 2b7oA1 ILE 350 HA 0.05 -0.06 0.54 -0.75 4.18 3.95 2b7oA1 ILE 350 HB -0.02 0.16 0.17 -0.04 1.89 2.15 2b7oA1 ILE 350 HG12 0.08 -0.01 -0.20 -0.04 1.49 1.32 2b7oA1 ILE 350 HG13 0.03 -0.10 -0.06 -0.04 1.21 1.04 2b7oA1 ILE 350 HG23 0.25 -0.02 -0.14 -0.04 0.93 0.97 2b7oA1 ILE 350 HD13 0.04 0.07 -0.06 -0.04 0.88 0.88 2b7oA1 VAL 351 H -0.28 0.59 -0.02 -0.55 8.24 7.98 2b7oA1 VAL 351 HA -0.56 0.00 0.31 -0.75 4.13 3.13 2b7oA1 VAL 351 HB -0.46 0.07 0.08 -0.04 2.12 1.77 2b7oA1 VAL 351 HG13 -0.58 0.01 -0.13 -0.04 0.97 0.22 2b7oA1 VAL 351 HG23 -1.31 0.03 -0.06 -0.04 0.95 -0.44 2b7oA1 GLU 352 H -0.13 0.61 -0.06 -0.55 8.60 8.47 2b7oA1 GLU 352 HA -0.02 0.04 0.35 -0.75 4.29 3.90 2b7oA1 GLU 352 HB2 -0.03 0.01 0.15 -0.04 2.09 2.18 2b7oA1 GLU 352 HB3 -0.02 -0.06 0.02 -0.04 1.99 1.89 2b7oA1 GLU 352 HG2 -0.06 0.00 0.05 -0.04 2.34 2.29 2b7oA1 GLU 352 HG3 -0.10 0.30 0.12 -0.04 2.34 2.61 2b7oA1 LYS 353 H 0.02 0.51 -0.15 -0.55 8.42 8.24 2b7oA1 LYS 353 HA 0.04 -0.02 0.39 -0.75 4.32 3.97 2b7oA1 LYS 353 HB2 0.04 0.24 0.25 -0.04 1.87 2.35 2b7oA1 LYS 353 HB3 0.06 0.05 -0.03 -0.04 1.79 1.83 2b7oA1 LYS 353 HG2 0.02 -0.03 0.04 -0.04 1.46 1.44 2b7oA1 LYS 353 HG3 0.02 -0.12 -0.04 -0.04 1.46 1.28 2b7oA1 LYS 353 HD2 0.03 -0.00 -0.09 -0.04 1.69 1.58 2b7oA1 LYS 353 HD3 0.03 0.04 0.05 -0.04 1.68 1.76 2b7oA1 LYS 353 HE2 0.02 -0.01 -0.02 -0.04 2.99 2.93 2b7oA1 LYS 353 HE3 0.02 0.01 -0.01 -0.04 2.99 2.97 2b7oA1 VAL 354 H 0.17 0.59 -0.10 -0.55 8.24 8.35 2b7oA1 VAL 354 HA 0.14 -0.01 0.48 -0.75 4.13 3.98 2b7oA1 VAL 354 HB 0.67 0.09 0.09 -0.04 2.12 2.93 2b7oA1 VAL 354 HG13 0.08 -0.01 -0.14 -0.04 0.97 0.86 2b7oA1 VAL 354 HG23 0.26 0.01 -0.10 -0.04 0.95 1.07 2b7oA1 GLN 355 H 0.22 0.84 0.04 -0.55 8.47 9.03 2b7oA1 GLN 355 HA 0.20 0.07 0.46 -0.75 4.36 4.34 2b7oA1 GLN 355 HB2 0.09 0.08 0.15 -0.04 2.15 2.42 2b7oA1 GLN 355 HB3 0.10 -0.05 0.05 -0.04 2.02 2.08 2b7oA1 GLN 355 HG2 0.22 0.10 0.02 -0.04 2.40 2.70 2b7oA1 GLN 355 HG3 0.10 -0.03 -0.03 -0.04 2.39 2.39 2b7oA1 GLN 355 HE21 0.18 0.04 0.05 -0.04 6.97 7.21 2b7oA1 GLN 355 HE22 0.13 -0.01 0.03 -0.04 7.69 7.80 2b7oA1 ALA 356 H 0.09 0.41 -0.41 -0.55 8.40 7.93 2b7oA1 ALA 356 HA 0.05 -0.00 0.28 -0.75 4.34 3.91 2b7oA1 ALA 356 HB3 0.04 0.01 0.11 -0.04 1.41 1.54 2b7oA1 THR 357 H 0.11 0.54 -0.54 -0.55 8.28 7.85 2b7oA1 THR 357 HA 0.09 0.03 0.53 -0.75 4.39 4.30 2b7oA1 THR 357 HB 0.24 -0.06 0.10 -0.04 4.32 4.55 2b7oA1 THR 357 HG23 0.05 0.01 0.09 -0.04 1.22 1.33 2b7oA1 GLY 358 H 0.09 0.46 -0.16 -0.55 8.43 8.26 2b7oA1 GLY 358 HA2 0.02 0.01 0.32 -0.51 4.01 3.84 2b7oA1 GLY 358 HA3 -0.01 0.09 0.75 -0.51 4.01 4.32 2b7oA1 HIS 359 H 0.23 0.05 -0.25 -0.55 8.41 7.89 2b7oA1 HIS 359 HA 0.00 0.13 0.60 -0.75 4.63 4.61 2b7oA1 HIS 359 HB2 -0.00 -0.01 -0.02 -0.04 3.26 3.19 2b7oA1 HIS 359 HB3 -0.03 -0.03 -0.10 -0.04 3.20 3.00 2b7oA1 HIS 359 HD2 0.01 0.02 -0.18 -0.04 6.97 6.77 2b7oA1 HIS 359 HE1 -0.02 0.14 -0.02 -0.04 7.75 7.81 2b7oA1 GLN 360 H 0.04 0.13 0.01 -0.55 8.47 8.10 2b7oA1 GLN 360 HA 0.03 0.23 0.97 -0.75 4.36 4.84 2b7oA1 GLN 360 HB2 -0.00 -0.14 0.18 -0.04 2.15 2.15 2b7oA1 GLN 360 HB3 0.01 0.17 0.00 -0.04 2.02 2.17 2b7oA1 GLN 360 HG2 0.03 0.08 -0.15 -0.04 2.40 2.31 2b7oA1 GLN 360 HG3 0.00 -0.01 -0.12 -0.04 2.39 2.22 2b7oA1 GLN 360 HE21 -0.01 -0.04 0.01 -0.04 6.97 6.89 2b7oA1 GLN 360 HE22 -0.02 0.03 0.01 -0.04 7.69 7.68 2b7oA1 VAL 361 H -0.14 0.19 -0.01 -0.55 8.24 7.74 2b7oA1 VAL 361 HA -0.18 0.14 0.75 -0.75 4.13 4.09 2b7oA1 VAL 361 HB -0.45 0.03 -0.03 -0.04 2.12 1.62 2b7oA1 VAL 361 HG13 -0.21 -0.00 -0.15 -0.04 0.97 0.56 2b7oA1 VAL 361 HG23 -1.31 -0.02 -0.29 -0.04 0.95 -0.70 2b7oA1 ILE 362 H -0.23 0.53 0.37 -0.55 8.25 8.38 2b7oA1 ILE 362 HA -0.12 0.23 0.86 -0.75 4.18 4.39 2b7oA1 ILE 362 HB -0.13 -0.08 0.09 -0.04 1.89 1.73 2b7oA1 ILE 362 HG12 -0.04 0.05 -0.11 -0.04 1.49 1.35 2b7oA1 ILE 362 HG13 -0.09 -0.04 -0.02 -0.04 1.21 1.02 2b7oA1 ILE 362 HG23 -0.08 -0.01 -0.35 -0.04 0.93 0.45 2b7oA1 ILE 362 HD13 -0.07 0.03 -0.07 -0.04 0.88 0.74 2b7oA1 TRP 363 H 0.04 0.32 0.16 -0.55 7.97 7.94 2b7oA1 TRP 363 HA 0.08 0.18 0.88 -0.75 4.62 5.01 2b7oA1 TRP 363 HB2 -0.28 0.16 0.31 -0.04 3.23 3.38 2b7oA1 TRP 363 HB3 0.16 -0.04 0.04 -0.04 3.23 3.35 2b7oA1 TRP 363 HD1 -0.03 0.12 0.10 -0.04 7.22 7.36 2b7oA1 TRP 363 HE1 0.06 0.05 -0.01 -0.04 10.20 10.26 2b7oA1 TRP 363 HE3 0.15 0.05 0.01 -0.04 7.59 7.75 2b7oA1 TRP 363 HZ2 0.05 0.05 -0.02 -0.04 7.44 7.48 2b7oA1 TRP 363 HZ3 0.07 -0.04 -0.11 -0.04 7.13 7.00 2b7oA1 TRP 363 HH2 0.05 0.01 -0.18 -0.04 7.19 7.02 2b7oA1 GLN 364 H 0.19 0.65 0.27 -0.55 8.47 9.04 2b7oA1 GLN 364 HA -0.07 0.20 0.91 -0.75 4.36 4.65 2b7oA1 GLN 364 HB2 -0.10 0.03 -0.39 -0.04 2.15 1.65 2b7oA1 GLN 364 HB3 -0.06 -0.05 -0.22 -0.04 2.02 1.65 2b7oA1 GLN 364 HG2 -0.15 0.00 -0.62 -0.04 2.40 1.59 2b7oA1 GLN 364 HG3 -0.21 -0.03 -0.57 -0.04 2.39 1.53 2b7oA1 GLN 364 HE21 -0.31 -0.06 -0.29 -0.04 6.97 6.27 2b7oA1 GLN 364 HE22 -0.22 0.33 -0.52 -0.04 7.69 7.23 2b7oA1 CYS 365 H -0.55 0.75 0.23 -0.55 8.50 8.38 2b7oA1 CYS 365 HA -0.41 0.16 0.97 -0.75 4.58 4.55 2b7oA1 CYS 365 HB2 -2.76 -0.01 0.02 -0.04 2.97 0.18 2b7oA1 CYS 365 HB3 -0.94 0.10 0.23 -0.04 2.97 2.32 2b7oA1 ASP 366 H -0.14 0.81 0.19 -0.55 8.40 8.72 2b7oA1 ASP 366 HA -0.12 0.36 0.92 -0.75 4.63 5.03 2b7oA1 ASP 366 HB2 -0.20 -0.04 -0.14 -0.04 2.71 2.29 2b7oA1 ASP 366 HB3 -0.10 0.05 -0.06 -0.04 2.70 2.55 2b7oA1 PRO 367 HA -0.05 0.15 0.56 -0.51 4.44 4.58 2b7oA1 PRO 367 HB2 -0.06 -0.08 0.20 -0.04 2.28 2.31 2b7oA1 PRO 367 HB3 -0.05 0.02 0.03 -0.04 2.02 1.98 2b7oA1 PRO 367 HG2 -0.08 -0.06 0.09 -0.04 2.03 1.95 2b7oA1 PRO 367 HG3 -0.06 0.05 0.02 -0.04 2.03 2.00 2b7oA1 PRO 367 HD2 -0.09 0.39 0.28 -0.04 3.68 4.21 2b7oA1 PRO 367 HD3 -0.11 0.22 -0.12 -0.04 3.65 3.59 2b7oA1 HIS 369 HA 0.00 -0.06 0.19 -0.75 4.63 4.00 2b7oA1 HIS 369 HB2 -0.06 0.06 -0.02 -0.04 3.26 3.20 2b7oA1 HIS 369 HB3 -0.02 -0.02 0.11 -0.04 3.20 3.23 2b7oA1 HIS 369 HD2 0.00 -0.03 -0.01 -0.04 6.97 6.89 2b7oA1 HIS 369 HE1 -0.25 0.06 -0.12 -0.04 7.75 7.39 2b7oA1 GLY 370 H 0.01 0.19 -0.40 -0.55 8.43 7.68 2b7oA1 GLY 370 HA2 0.06 0.20 0.80 -0.51 4.01 4.56 2b7oA1 GLY 370 HA3 0.04 0.16 -0.01 -0.51 4.01 3.68 2b7oA1 ASN 371 H 0.04 0.14 0.06 -0.55 8.53 8.23 2b7oA1 ASN 371 HA 0.10 0.19 0.85 -0.75 4.76 5.14 2b7oA1 ASN 371 HB2 0.03 0.19 0.15 -0.04 2.88 3.21 2b7oA1 ASN 371 HB3 0.08 -0.15 0.17 -0.04 2.79 2.86 2b7oA1 ASN 371 HD21 0.02 -0.05 -0.04 -0.04 7.03 6.91 2b7oA1 ASN 371 HD22 -0.00 0.69 0.04 -0.04 7.74 8.42 2b7oA1 THR 372 H 0.09 0.14 -0.14 -0.55 8.28 7.81 2b7oA1 THR 372 HA 0.12 0.25 0.89 -0.75 4.39 4.89 2b7oA1 THR 372 HB 0.09 -0.01 0.02 -0.04 4.32 4.38 2b7oA1 THR 372 HG23 0.06 0.02 -0.01 -0.04 1.22 1.26 2b7oA1 HIS 373 H 0.05 0.72 0.37 -0.55 8.41 9.01 2b7oA1 HIS 373 HA 0.05 0.12 0.38 -0.75 4.63 4.43 2b7oA1 HIS 373 HB2 0.04 -0.02 0.13 -0.04 3.26 3.37 2b7oA1 HIS 373 HB3 0.05 0.07 -0.09 -0.04 3.20 3.18 2b7oA1 HIS 373 HD2 0.05 0.16 -0.34 -0.04 6.97 6.80 2b7oA1 HIS 373 HE1 0.10 -0.09 -0.31 -0.04 7.75 7.41 2b7oA1 GLU 374 H 0.11 0.20 0.12 -0.55 8.60 8.48 2b7oA1 GLU 374 HA -0.12 0.18 1.07 -0.75 4.29 4.66 2b7oA1 GLU 374 HB2 -0.03 0.24 -0.08 -0.04 2.09 2.18 2b7oA1 GLU 374 HB3 -0.00 -0.06 -0.03 -0.04 1.99 1.86 2b7oA1 GLU 374 HG2 0.04 -0.09 0.07 -0.04 2.34 2.32 2b7oA1 GLU 374 HG3 0.02 0.06 -0.06 -0.04 2.34 2.32 2b7oA1 SER 375 H -0.07 0.70 0.11 -0.55 8.46 8.66 2b7oA1 SER 375 HA 0.13 0.02 0.31 -0.75 4.49 4.20 2b7oA1 SER 375 HB2 0.09 -0.08 0.06 -0.04 3.95 3.98 2b7oA1 SER 375 HB3 0.03 0.08 0.03 -0.04 3.93 4.03 2b7oA1 SER 376 H 0.09 0.12 0.13 -0.55 8.46 8.25 2b7oA1 SER 376 HA 0.04 0.15 0.48 -0.75 4.49 4.40 2b7oA1 SER 376 HB2 0.06 -0.01 0.16 -0.04 3.95 4.11 2b7oA1 SER 376 HB3 0.04 -0.00 0.03 -0.04 3.93 3.96 2b7oA1 THR 377 H 0.07 0.01 -0.30 -0.55 8.28 7.52 2b7oA1 THR 377 HA 0.02 0.22 0.60 -0.75 4.39 4.47 2b7oA1 THR 377 HB 0.11 0.04 0.16 -0.04 4.32 4.59 2b7oA1 THR 377 HG23 0.05 -0.00 -0.04 -0.04 1.22 1.19 2b7oA1 GLY 378 H -0.03 0.43 -0.69 -0.55 8.43 7.59 2b7oA1 GLY 378 HA2 -0.14 0.04 0.26 -0.51 4.01 3.66 2b7oA1 GLY 378 HA3 -0.34 0.12 0.49 -0.51 4.01 3.76 2b7oA1 PHE 379 H 0.01 0.16 -0.33 -0.55 8.34 7.63 2b7oA1 PHE 379 HA -0.26 0.04 0.16 -0.75 4.62 3.80 2b7oA1 PHE 379 HB2 -0.21 -0.09 -0.02 -0.04 3.15 2.79 2b7oA1 PHE 379 HB3 -0.67 0.09 -0.01 -0.04 3.06 2.43 2b7oA1 PHE 379 HD2 -0.77 -0.07 -0.01 -0.04 7.28 6.39 2b7oA1 PHE 379 HE2 -0.12 -0.02 0.05 -0.04 7.38 7.25 2b7oA1 PHE 379 HZ -0.06 -0.01 0.08 -0.04 7.32 7.28 2b7oA1 LYS 380 H 0.01 0.12 0.18 -0.55 8.42 8.17 2b7oA1 LYS 380 HA -0.01 0.13 0.83 -0.75 4.32 4.52 2b7oA1 LYS 380 HB2 0.07 -0.02 0.17 -0.04 1.87 2.05 2b7oA1 LYS 380 HB3 0.20 0.01 0.22 -0.04 1.79 2.17 2b7oA1 LYS 380 HG2 0.09 -0.01 -0.03 -0.04 1.46 1.46 2b7oA1 LYS 380 HG3 0.04 0.09 0.04 -0.04 1.46 1.59 2b7oA1 LYS 380 HD2 0.07 -0.01 -0.05 -0.04 1.69 1.66 2b7oA1 LYS 380 HD3 0.06 -0.03 -0.01 -0.04 1.68 1.66 2b7oA1 LYS 380 HE2 0.13 0.02 -0.05 -0.04 2.99 3.05 2b7oA1 LYS 380 HE3 0.12 -0.02 -0.09 -0.04 2.99 2.96 2b7oA1 THR 381 H -0.20 0.80 0.49 -0.55 8.28 8.82 2b7oA1 THR 381 HA 0.05 0.22 0.98 -0.75 4.39 4.89 2b7oA1 THR 381 HB -0.21 -0.05 -0.09 -0.04 4.32 3.93 2b7oA1 THR 381 HG23 0.04 0.00 -0.00 -0.04 1.22 1.22 2b7oA1 ARG 382 H 0.05 0.26 0.17 -0.55 8.46 8.39 2b7oA1 ARG 382 HA 0.22 0.26 0.82 -0.75 4.34 4.89 2b7oA1 ARG 382 HB2 0.06 -0.00 -0.02 -0.04 1.90 1.89 2b7oA1 ARG 382 HB3 0.08 0.01 -0.11 -0.04 1.80 1.73 2b7oA1 ARG 382 HG2 0.06 0.02 -0.27 -0.04 1.67 1.44 2b7oA1 ARG 382 HG3 0.06 0.10 -0.20 -0.04 1.67 1.59 2b7oA1 ARG 382 HD2 0.01 0.12 -0.09 -0.04 3.22 3.23 2b7oA1 ARG 382 HD3 -0.02 -0.00 -0.11 -0.04 3.22 3.05 2b7oA1 HIS 383 H 0.27 0.30 0.17 -0.55 8.41 8.60 2b7oA1 HIS 383 HA 0.16 0.15 0.91 -0.75 4.63 5.10 2b7oA1 HIS 383 HB2 0.05 0.10 0.13 -0.04 3.26 3.50 2b7oA1 HIS 383 HB3 0.05 -0.18 0.12 -0.04 3.20 3.14 2b7oA1 HIS 383 HD2 0.04 0.04 -0.01 -0.04 6.97 6.98 2b7oA1 HIS 383 HE1 0.08 0.05 0.04 -0.04 7.75 7.87 2b7oA1 PHE 384 H 0.13 0.23 0.22 -0.55 8.34 8.37 2b7oA1 PHE 384 HA 0.06 0.13 0.45 -0.75 4.62 4.50 2b7oA1 PHE 384 HB2 0.01 0.05 0.19 -0.04 3.15 3.36 2b7oA1 PHE 384 HB3 0.08 -0.04 0.16 -0.04 3.06 3.22 2b7oA1 PHE 384 HD2 0.06 -0.02 -0.03 -0.04 7.28 7.25 2b7oA1 PHE 384 HE2 0.07 0.14 -0.01 -0.04 7.38 7.53 2b7oA1 PHE 384 HZ 0.06 0.03 -0.13 -0.04 7.32 7.25 2b7oA1 ASP 385 H 0.54 0.09 -0.11 -0.55 8.40 8.37 2b7oA1 ASP 385 HA 0.07 0.11 0.32 -0.75 4.63 4.38 2b7oA1 ASP 385 HB2 0.05 -0.05 0.04 -0.04 2.71 2.72 2b7oA1 ASP 385 HB3 0.03 0.07 -0.03 -0.04 2.70 2.73 2b7oA1 ARG 386 H 0.13 0.12 -0.29 -0.55 8.46 7.87 2b7oA1 ARG 386 HA 0.02 0.06 0.56 -0.75 4.34 4.22 2b7oA1 ARG 386 HB2 0.10 0.03 0.19 -0.04 1.90 2.18 2b7oA1 ARG 386 HB3 0.06 0.04 0.05 -0.04 1.80 1.90 2b7oA1 ARG 386 HG2 0.02 -0.02 0.07 -0.04 1.67 1.70 2b7oA1 ARG 386 HG3 -0.04 -0.05 0.01 -0.04 1.67 1.55 2b7oA1 ARG 386 HD2 -0.07 0.01 0.01 -0.04 3.22 3.14 2b7oA1 ARG 386 HD3 -0.02 -0.05 0.04 -0.04 3.22 3.15 2b7oA1 ILE 387 H -0.01 0.40 -0.08 -0.55 8.25 8.01 2b7oA1 ILE 387 HA -0.04 0.15 0.55 -0.75 4.18 4.08 2b7oA1 ILE 387 HB -0.20 0.07 0.25 -0.04 1.89 1.97 2b7oA1 ILE 387 HG12 -0.04 0.27 0.07 -0.04 1.49 1.74 2b7oA1 ILE 387 HG13 0.01 -0.06 0.02 -0.04 1.21 1.14 2b7oA1 ILE 387 HG23 -0.14 -0.01 -0.07 -0.04 0.93 0.66 2b7oA1 ILE 387 HD13 0.02 -0.04 -0.13 -0.04 0.88 0.69 2b7oA1 VAL 388 H -0.29 0.53 0.06 -0.55 8.24 7.99 2b7oA1 VAL 388 HA -0.13 0.07 0.41 -0.75 4.13 3.73 2b7oA1 VAL 388 HB -0.10 0.03 0.13 -0.04 2.12 2.13 2b7oA1 VAL 388 HG13 -0.01 0.01 -0.10 -0.04 0.97 0.83 2b7oA1 VAL 388 HG23 -0.47 0.03 0.02 -0.04 0.95 0.49 2b7oA1 ASP 389 H -0.03 0.44 -0.25 -0.55 8.40 8.01 2b7oA1 ASP 389 HA 0.02 0.02 0.31 -0.75 4.63 4.23 2b7oA1 ASP 389 HB2 0.01 0.04 0.15 -0.04 2.71 2.87 2b7oA1 ASP 389 HB3 0.02 0.00 0.16 -0.04 2.70 2.84 2b7oA1 GLU 390 H 0.01 0.51 -0.14 -0.55 8.60 8.43 2b7oA1 GLU 390 HA 0.05 -0.01 0.58 -0.75 4.29 4.16 2b7oA1 GLU 390 HB2 0.02 -0.12 0.08 -0.04 2.09 2.03 2b7oA1 GLU 390 HB3 -0.00 0.12 0.14 -0.04 1.99 2.22 2b7oA1 GLU 390 HG2 0.01 0.05 -0.28 -0.04 2.34 2.08 2b7oA1 GLU 390 HG3 0.04 -0.07 -0.03 -0.04 2.34 2.25 2b7oA1 VAL 391 H 0.03 0.45 -0.09 -0.55 8.24 8.08 2b7oA1 VAL 391 HA 0.15 0.03 0.41 -0.75 4.13 3.96 2b7oA1 VAL 391 HB 0.06 0.07 0.14 -0.04 2.12 2.35 2b7oA1 VAL 391 HG13 0.27 0.01 -0.05 -0.04 0.97 1.17 2b7oA1 VAL 391 HG23 -0.01 0.04 0.03 -0.04 0.95 0.97 2b7oA1 GLN 392 H 0.07 0.70 -0.00 -0.55 8.47 8.69 2b7oA1 GLN 392 HA 0.10 0.06 0.39 -0.75 4.36 4.15 2b7oA1 GLN 392 HB2 0.03 0.01 0.06 -0.04 2.15 2.21 2b7oA1 GLN 392 HB3 0.05 0.07 0.20 -0.04 2.02 2.30 2b7oA1 GLN 392 HG2 0.03 -0.08 -0.01 -0.04 2.40 2.29 2b7oA1 GLN 392 HG3 0.05 -0.02 -0.15 -0.04 2.39 2.23 2b7oA1 GLN 392 HE21 -0.00 0.07 -0.01 -0.04 6.97 6.99 2b7oA1 GLN 392 HE22 0.05 -0.06 -0.00 -0.04 7.69 7.64 2b7oA1 GLY 393 H 0.10 0.72 -0.09 -0.55 8.43 8.61 2b7oA1 GLY 393 HA2 0.06 -0.05 0.38 -0.51 4.01 3.89 2b7oA1 GLY 393 HA3 0.07 -0.01 0.33 -0.51 4.01 3.88 2b7oA1 PHE 394 H 0.28 0.67 -0.12 -0.55 8.34 8.61 2b7oA1 PHE 394 HA -0.02 -0.04 0.44 -0.75 4.62 4.24 2b7oA1 PHE 394 HB2 0.05 -0.06 0.08 -0.04 3.15 3.18 2b7oA1 PHE 394 HB3 0.13 0.17 0.23 -0.04 3.06 3.55 2b7oA1 PHE 394 HD2 -0.03 0.02 -0.08 -0.04 7.28 7.15 2b7oA1 PHE 394 HE2 -0.04 0.01 -0.16 -0.04 7.38 7.15 2b7oA1 PHE 394 HZ -0.06 0.16 -0.32 -0.04 7.32 7.05 2b7oA1 PHE 395 H 0.55 0.63 -0.03 -0.55 8.34 8.93 2b7oA1 PHE 395 HA 0.03 0.04 0.53 -0.75 4.62 4.47 2b7oA1 PHE 395 HB2 0.10 0.11 0.19 -0.04 3.15 3.51 2b7oA1 PHE 395 HB3 0.05 -0.03 -0.01 -0.04 3.06 3.03 2b7oA1 PHE 395 HD2 0.16 0.04 0.02 -0.04 7.28 7.45 2b7oA1 PHE 395 HE2 0.11 -0.00 0.00 -0.04 7.38 7.45 2b7oA1 PHE 395 HZ -0.04 0.03 -0.02 -0.04 7.32 7.25 2b7oA1 GLU 396 H 0.14 0.48 -0.13 -0.55 8.60 8.54 2b7oA1 GLU 396 HA 0.05 0.01 0.39 -0.75 4.29 3.98 2b7oA1 GLU 396 HB2 0.02 0.10 0.18 -0.04 2.09 2.35 2b7oA1 GLU 396 HB3 0.00 -0.07 0.03 -0.04 1.99 1.91 2b7oA1 GLU 396 HG2 0.04 -0.04 0.03 -0.04 2.34 2.32 2b7oA1 GLU 396 HG3 0.08 0.19 0.06 -0.04 2.34 2.62 2b7oA1 VAL 397 H -0.10 0.54 -0.09 -0.55 8.24 8.04 2b7oA1 VAL 397 HA -0.18 -0.02 0.44 -0.75 4.13 3.61 2b7oA1 VAL 397 HB -0.46 0.17 0.12 -0.04 2.12 1.91 2b7oA1 VAL 397 HG13 -0.50 -0.04 -0.18 -0.04 0.97 0.21 2b7oA1 VAL 397 HG23 -0.14 0.07 0.05 -0.04 0.95 0.89 2b7oA1 HIS 398 H -0.35 0.45 -0.22 -0.55 8.41 7.74 2b7oA1 HIS 398 HA -0.28 -0.05 0.45 -0.75 4.63 3.99 2b7oA1 HIS 398 HB2 -0.41 0.10 0.10 -0.04 3.26 3.01 2b7oA1 HIS 398 HB3 -0.26 0.23 -0.29 -0.04 3.20 2.84 2b7oA1 HIS 398 HD2 -1.79 0.13 -0.12 -0.04 6.97 5.14 2b7oA1 HIS 398 HE1 -1.45 -0.05 -0.08 -0.04 7.75 6.13 2b7oA1 ARG 399 H -0.00 0.73 0.04 -0.55 8.46 8.68 2b7oA1 ARG 399 HA 0.03 0.09 0.44 -0.75 4.34 4.15 2b7oA1 ARG 399 HB2 0.03 -0.04 0.19 -0.04 1.90 2.03 2b7oA1 ARG 399 HB3 0.04 -0.06 0.06 -0.04 1.80 1.80 2b7oA1 ARG 399 HG2 0.14 0.29 -0.01 -0.04 1.67 2.04 2b7oA1 ARG 399 HG3 0.10 -0.08 -0.02 -0.04 1.67 1.63 2b7oA1 ARG 399 HD2 0.09 -0.02 0.03 -0.04 3.22 3.28 2b7oA1 ARG 399 HD3 0.12 0.03 0.02 -0.04 3.22 3.35 2b7oA1 ALA 400 H -0.04 0.61 -0.01 -0.55 8.40 8.41 2b7oA1 ALA 400 HA -0.03 -0.04 0.37 -0.75 4.34 3.90 2b7oA1 ALA 400 HB3 -0.06 -0.02 0.10 -0.04 1.41 1.39 2b7oA1 LEU 401 H -0.09 0.33 -0.51 -0.55 8.37 7.54 2b7oA1 LEU 401 HA -0.06 0.09 0.83 -0.75 4.35 4.46 2b7oA1 LEU 401 HB2 -0.17 0.12 0.14 -0.04 1.64 1.69 2b7oA1 LEU 401 HB3 -0.10 -0.06 0.06 -0.04 1.64 1.50 2b7oA1 LEU 401 HG -0.14 -0.00 -0.06 -0.04 1.64 1.39 2b7oA1 LEU 401 HD13 -0.27 -0.02 -0.02 -0.04 0.93 0.59 2b7oA1 LEU 401 HD23 -0.08 -0.01 0.03 -0.04 0.89 0.79 2b7oA1 GLY 402 H -0.02 0.55 -0.06 -0.55 8.43 8.36 2b7oA1 GLY 402 HA2 0.02 0.02 0.38 -0.51 4.01 3.92 2b7oA1 GLY 402 HA3 0.01 -0.03 0.62 -0.51 4.01 4.11 2b7oA1 THR 403 H 0.01 0.19 -0.13 -0.55 8.28 7.80 2b7oA1 THR 403 HA 0.09 0.20 0.80 -0.75 4.39 4.73 2b7oA1 THR 403 HB 0.13 -0.07 0.07 -0.04 4.32 4.42 2b7oA1 THR 403 HG23 0.03 0.02 -0.11 -0.04 1.22 1.11 2b7oA1 HIS 404 H 0.19 0.13 0.13 -0.55 8.41 8.32 2b7oA1 HIS 404 HA -0.05 0.25 0.55 -0.75 4.63 4.63 2b7oA1 HIS 404 HB2 0.04 0.03 0.02 -0.04 3.26 3.31 2b7oA1 HIS 404 HB3 0.06 -0.04 0.19 -0.04 3.20 3.36 2b7oA1 HIS 404 HD2 0.03 -0.00 0.04 -0.04 6.97 6.99 2b7oA1 HIS 404 HE1 0.14 0.01 -0.08 -0.04 7.75 7.78 2b7oA1 PRO 405 HA -0.94 -0.01 0.65 -0.51 4.44 3.63 2b7oA1 PRO 405 HB2 -0.99 0.00 0.11 -0.04 2.28 1.36 2b7oA1 PRO 405 HB3 -0.87 -0.03 0.09 -0.04 2.02 1.16 2b7oA1 PRO 405 HG2 -0.29 0.08 0.17 -0.04 2.03 1.95 2b7oA1 PRO 405 HG3 -0.32 0.02 0.13 -0.04 2.03 1.81 2b7oA1 PRO 405 HD2 -0.06 0.14 0.22 -0.04 3.68 3.94 2b7oA1 PRO 405 HD3 -0.13 0.27 0.22 -0.04 3.65 3.96 2b7oA1 GLY 406 H -0.08 0.38 0.38 -0.55 8.43 8.55 2b7oA1 GLY 406 HA2 -0.46 0.15 0.22 -0.51 4.01 3.41 2b7oA1 GLY 406 HA3 -0.08 -0.09 0.33 -0.51 4.01 3.66 2b7oA1 GLY 407 H -0.13 0.21 0.16 -0.55 8.43 8.12 2b7oA1 GLY 407 HA2 -1.74 0.12 0.51 -0.51 4.01 2.39 2b7oA1 GLY 407 HA3 -0.55 0.03 0.48 -0.51 4.01 3.46 2b7oA1 ILE 408 H -0.34 0.63 0.39 -0.55 8.25 8.38 2b7oA1 ILE 408 HA -0.19 0.20 0.87 -0.75 4.18 4.31 2b7oA1 ILE 408 HB -0.02 -0.03 0.06 -0.04 1.89 1.86 2b7oA1 ILE 408 HG12 0.23 0.06 0.03 -0.04 1.49 1.77 2b7oA1 ILE 408 HG13 0.01 -0.06 0.07 -0.04 1.21 1.19 2b7oA1 ILE 408 HG23 0.09 -0.00 -0.04 -0.04 0.93 0.94 2b7oA1 ILE 408 HD13 0.09 -0.02 -0.09 -0.04 0.88 0.82 2b7oA1 HIS 409 H -0.06 0.74 0.29 -0.55 8.41 8.83 2b7oA1 HIS 409 HA -0.16 0.26 0.83 -0.75 4.63 4.81 2b7oA1 HIS 409 HB2 -0.24 -0.01 -0.30 -0.04 3.26 2.67 2b7oA1 HIS 409 HB3 -0.22 -0.07 -0.03 -0.04 3.20 2.84 2b7oA1 HIS 409 HD2 -0.20 0.08 -0.35 -0.04 6.97 6.46 2b7oA1 HIS 409 HE1 -2.41 -0.05 -0.26 -0.04 7.75 4.99 2b7oA1 VAL 410 H 0.08 0.60 0.27 -0.55 8.24 8.65 2b7oA1 VAL 410 HA -0.03 0.06 0.83 -0.75 4.13 4.24 2b7oA1 VAL 410 HB -0.00 0.10 -0.14 -0.04 2.12 2.04 2b7oA1 VAL 410 HG13 0.00 -0.02 -0.19 -0.04 0.97 0.72 2b7oA1 VAL 410 HG23 -0.02 0.01 -0.10 -0.04 0.95 0.79 2b7oA1 GLU 411 H -0.04 0.16 0.14 -0.55 8.60 8.31 2b7oA1 GLU 411 HA 0.04 0.37 1.09 -0.75 4.29 5.04 2b7oA1 GLU 411 HB2 -0.05 -0.04 0.10 -0.04 2.09 2.06 2b7oA1 GLU 411 HB3 0.02 -0.08 -0.00 -0.04 1.99 1.89 2b7oA1 GLU 411 HG2 0.09 0.16 -0.14 -0.04 2.34 2.41 2b7oA1 GLU 411 HG3 -0.05 -0.05 -0.31 -0.04 2.34 1.90 2b7oA1 ILE 412 H 0.02 0.68 0.19 -0.55 8.25 8.59 2b7oA1 ILE 412 HA -0.00 0.23 0.91 -0.75 4.18 4.56 2b7oA1 ILE 412 HB -0.02 0.05 -0.11 -0.04 1.89 1.78 2b7oA1 ILE 412 HG12 -0.00 -0.13 -0.09 -0.04 1.49 1.23 2b7oA1 ILE 412 HG13 -0.03 -0.05 -0.51 -0.04 1.21 0.58 2b7oA1 ILE 412 HG23 0.00 -0.01 -0.39 -0.04 0.93 0.49 2b7oA1 ILE 412 HD13 -0.02 0.04 -0.28 -0.04 0.88 0.58 2b7oA1 THR 413 H -0.02 0.45 0.11 -0.55 8.28 8.28 2b7oA1 THR 413 HA -0.04 0.15 0.42 -0.75 4.39 4.16 2b7oA1 THR 413 HB 0.05 0.13 0.01 -0.04 4.32 4.47 2b7oA1 THR 413 HG23 -0.01 0.03 -0.06 -0.04 1.22 1.14 2b7oA1 GLY 414 H -0.10 0.18 0.01 -0.55 8.43 7.98 2b7oA1 GLY 414 HA2 -0.09 0.14 0.67 -0.51 4.01 4.22 2b7oA1 GLY 414 HA3 -0.12 0.07 0.21 -0.51 4.01 3.65 2b7oA1 GLU 415 H -0.01 0.01 -0.17 -0.55 8.60 7.88 2b7oA1 GLU 415 HA -0.03 0.20 0.74 -0.75 4.29 4.45 2b7oA1 GLU 415 HB2 0.03 -0.03 0.05 -0.04 2.09 2.09 2b7oA1 GLU 415 HB3 -0.01 0.03 -0.11 -0.04 1.99 1.86 2b7oA1 GLU 415 HG2 0.01 0.04 -0.02 -0.04 2.34 2.33 2b7oA1 GLU 415 HG3 -0.00 0.05 0.02 -0.04 2.34 2.36 2b7oA1 ASN 416 H -0.02 0.20 0.09 -0.55 8.53 8.25 2b7oA1 ASN 416 HA -0.02 0.03 0.84 -0.75 4.76 4.85 2b7oA1 ASN 416 HB2 -0.02 0.01 0.18 -0.04 2.88 3.02 2b7oA1 ASN 416 HB3 -0.02 0.04 0.15 -0.04 2.79 2.92 2b7oA1 ASN 416 HD21 0.01 0.03 -0.01 -0.04 7.03 7.02 2b7oA1 ASN 416 HD22 -0.01 0.01 0.03 -0.04 7.74 7.73 2b7oA1 VAL 417 H -0.03 0.17 0.15 -0.55 8.24 7.98 2b7oA1 VAL 417 HA -0.04 0.16 0.49 -0.75 4.13 3.99 2b7oA1 VAL 417 HB -0.05 -0.04 -0.10 -0.04 2.12 1.89 2b7oA1 VAL 417 HG13 -0.07 -0.04 -0.14 -0.04 0.97 0.68 2b7oA1 VAL 417 HG23 -0.10 0.07 0.02 -0.04 0.95 0.90 2b7oA1 THR 418 H -0.06 0.76 0.20 -0.55 8.28 8.63 2b7oA1 THR 418 HA -0.04 0.23 0.85 -0.75 4.39 4.68 2b7oA1 THR 418 HB -0.06 0.05 0.56 -0.04 4.32 4.83 2b7oA1 THR 418 HG23 -0.04 0.02 -0.08 -0.04 1.22 1.08 2b7oA1 LEU 432 HA -0.12 0.05 -64.54 -0.75 4.35 -61.02 2b7oA1 LEU 432 HB2 -0.05 -0.03 -0.06 -0.04 1.64 1.46 2b7oA1 LEU 432 HB3 -0.12 -0.01 -0.01 -0.04 1.64 1.45 2b7oA1 LEU 432 HG -0.02 -0.06 -0.09 -0.04 1.64 1.43 2b7oA1 LEU 432 HD13 -0.14 0.00 -0.04 -0.04 0.93 0.71 2b7oA1 LEU 432 HD23 -0.03 0.07 -0.13 -0.04 0.89 0.77 2b7oA1 ALA 433 H -0.14 0.18 0.15 -0.55 8.40 8.05 2b7oA1 ALA 433 HA -0.68 0.19 0.82 -0.75 4.34 3.93 2b7oA1 ALA 433 HB3 0.06 0.01 0.07 -0.04 1.41 1.51 2b7oA1 GLY 434 H -0.09 0.11 -0.13 -0.55 8.43 7.78 2b7oA1 GLY 434 HA2 -0.02 0.08 0.34 -0.51 4.01 3.90 2b7oA1 GLY 434 HA3 -0.03 0.02 0.25 -0.51 4.01 3.74 2b7oA1 ARG 435 H -0.05 0.09 -0.32 -0.55 8.46 7.63 2b7oA1 ARG 435 HA -0.01 0.28 0.70 -0.75 4.34 4.56 2b7oA1 ARG 435 HB2 -0.03 -0.04 0.09 -0.04 1.90 1.87 2b7oA1 ARG 435 HB3 -0.04 -0.07 0.09 -0.04 1.80 1.75 2b7oA1 ARG 435 HG2 -0.02 0.04 -0.01 -0.04 1.67 1.64 2b7oA1 ARG 435 HG3 -0.02 0.02 -0.36 -0.04 1.67 1.28 2b7oA1 ARG 435 HD2 -0.02 -0.03 -0.03 -0.04 3.22 3.10 2b7oA1 ARG 435 HD3 -0.03 0.27 0.07 -0.04 3.22 3.50 2b7oA1 TYR 436 H 0.07 0.34 -0.22 -0.55 8.29 7.93 2b7oA1 TYR 436 HA -0.07 0.06 0.90 -0.75 4.56 4.69 2b7oA1 TYR 436 HB2 -0.35 0.14 0.07 -0.04 3.06 2.88 2b7oA1 TYR 436 HB3 0.07 0.02 0.14 -0.04 2.98 3.16 2b7oA1 TYR 436 HD2 -0.02 0.14 -0.02 -0.04 7.15 7.21 2b7oA1 TYR 436 HE2 0.09 0.06 0.01 -0.04 6.85 6.96 2b7oA1 GLU 437 H -0.34 0.08 0.09 -0.55 8.60 7.89 2b7oA1 GLU 437 HA -0.07 0.26 0.83 -0.75 4.29 4.56 2b7oA1 GLU 437 HB2 -0.11 -0.02 -0.10 -0.04 2.09 1.81 2b7oA1 GLU 437 HB3 -0.11 0.05 0.05 -0.04 1.99 1.94 2b7oA1 GLU 437 HG2 -0.03 0.13 -0.27 -0.04 2.34 2.13 2b7oA1 GLU 437 HG3 -0.04 -0.18 -0.76 -0.04 2.34 1.32 2b7oA1 THR 438 H -0.40 0.06 0.04 -0.55 8.28 7.43 2b7oA1 THR 438 HA -0.14 0.10 0.17 -0.75 4.39 3.76 2b7oA1 THR 438 HB -0.21 -0.07 0.07 -0.04 4.32 4.06 2b7oA1 THR 438 HG23 -0.31 0.01 -0.20 -0.04 1.22 0.68 2b7oA1 ALA 439 H -0.06 0.08 -0.17 -0.55 8.40 7.70 2b7oA1 ALA 439 HA -0.19 0.01 0.26 -0.75 4.34 3.67 2b7oA1 ALA 439 HB3 -0.22 0.08 0.13 -0.04 1.41 1.36 2b7oA1 CYS 440 H 0.04 -0.04 -0.69 -0.55 8.50 7.26 2b7oA1 CYS 440 HA 0.18 0.12 0.35 -0.75 4.58 4.48 2b7oA1 CYS 440 HB2 0.11 0.11 -0.37 -0.04 2.97 2.78 2b7oA1 CYS 440 HB3 0.08 -0.12 -0.00 -0.04 2.97 2.88 2b7oA1 ASP 441 H 0.08 0.13 0.02 -0.55 8.40 8.09 2b7oA1 ASP 441 HA 0.10 0.17 0.52 -0.75 4.63 4.68 2b7oA1 ASP 441 HB2 0.10 -0.04 0.01 -0.04 2.71 2.74 2b7oA1 ASP 441 HB3 0.05 0.10 -0.09 -0.04 2.70 2.73 2b7oA1 PRO 442 HA -0.10 -0.06 0.48 -0.51 4.44 4.25 2b7oA1 PRO 442 HB2 0.04 -0.03 0.04 -0.04 2.28 2.29 2b7oA1 PRO 442 HB3 0.15 0.15 0.21 -0.04 2.02 2.49 2b7oA1 PRO 442 HG2 0.04 -0.02 -0.07 -0.04 2.03 1.95 2b7oA1 PRO 442 HG3 0.08 -0.01 -0.15 -0.04 2.03 1.92 2b7oA1 PRO 442 HD2 0.07 0.05 0.07 -0.04 3.68 3.82 2b7oA1 PRO 442 HD3 0.14 0.20 0.08 -0.04 3.65 4.03 2b7oA1 ARG 443 H -0.08 0.05 0.19 -0.55 8.46 8.06 2b7oA1 ARG 443 HA -0.01 0.20 0.45 -0.75 4.34 4.22 2b7oA1 ARG 443 HB2 -0.03 0.02 -0.22 -0.04 1.90 1.64 2b7oA1 ARG 443 HB3 -0.01 0.01 -0.27 -0.04 1.80 1.50 2b7oA1 ARG 443 HG2 -0.01 0.01 -0.06 -0.04 1.67 1.57 2b7oA1 ARG 443 HG3 -0.04 0.12 0.08 -0.04 1.67 1.79 2b7oA1 ARG 443 HD2 -0.06 -0.02 -0.08 -0.04 3.22 3.01 2b7oA1 ARG 443 HD3 -0.10 -0.01 -0.02 -0.04 3.22 3.05 2b7oA1 LEU 444 H 0.01 0.47 0.30 -0.55 8.37 8.61 2b7oA1 LEU 444 HA 0.04 -0.00 0.64 -0.75 4.35 4.28 2b7oA1 LEU 444 HB2 0.04 0.04 0.09 -0.04 1.64 1.77 2b7oA1 LEU 444 HB3 0.10 -0.14 -0.01 -0.04 1.64 1.55 2b7oA1 LEU 444 HG 0.05 0.08 0.10 -0.04 1.64 1.83 2b7oA1 LEU 444 HD13 0.06 0.02 -0.07 -0.04 0.93 0.89 2b7oA1 LEU 444 HD23 0.26 -0.02 -0.01 -0.04 0.89 1.08 2b7oA1 ASN 445 H -0.00 0.05 0.14 -0.55 8.53 8.16 2b7oA1 ASN 445 HA -0.02 0.18 0.68 -0.75 4.76 4.84 2b7oA1 ASN 445 HB2 -0.03 0.02 0.36 -0.04 2.88 3.19 2b7oA1 ASN 445 HB3 -0.03 0.08 0.19 -0.04 2.79 2.99 2b7oA1 ASN 445 HD21 -0.04 -0.03 0.09 -0.04 7.03 7.01 2b7oA1 ASN 445 HD22 -0.03 0.50 0.18 -0.04 7.74 8.35 2b7oA1 THR 446 H -0.03 0.36 0.13 -0.55 8.28 8.19 2b7oA1 THR 446 HA -0.06 0.19 0.54 -0.75 4.39 4.30 2b7oA1 THR 446 HB -0.07 0.05 0.06 -0.04 4.32 4.32 2b7oA1 THR 446 HG23 -0.03 0.02 -0.15 -0.04 1.22 1.02 2b7oA1 GLN 447 H -0.02 0.08 -0.16 -0.55 8.47 7.82 2b7oA1 GLN 447 HA -0.08 0.12 0.24 -0.75 4.36 3.88 2b7oA1 GLN 447 HB2 0.03 -0.01 0.10 -0.04 2.15 2.24 2b7oA1 GLN 447 HB3 0.01 -0.02 0.02 -0.04 2.02 1.99 2b7oA1 GLN 447 HG2 0.18 0.02 -0.03 -0.04 2.40 2.53 2b7oA1 GLN 447 HG3 0.42 0.03 0.05 -0.04 2.39 2.85 2b7oA1 GLN 447 HE21 0.04 0.05 -0.01 -0.04 6.97 7.01 2b7oA1 GLN 447 HE22 0.05 0.01 0.04 -0.04 7.69 7.75 2b7oA1 GLN 448 H -0.03 0.07 -0.22 -0.55 8.47 7.74 2b7oA1 GLN 448 HA -0.12 0.09 0.41 -0.75 4.36 3.98 2b7oA1 GLN 448 HB2 0.05 -0.03 0.12 -0.04 2.15 2.25 2b7oA1 GLN 448 HB3 0.22 0.04 0.04 -0.04 2.02 2.27 2b7oA1 GLN 448 HG2 -0.40 0.04 0.06 -0.04 2.40 2.05 2b7oA1 GLN 448 HG3 -0.11 -0.04 0.06 -0.04 2.39 2.26 2b7oA1 GLN 448 HE21 0.02 0.05 0.09 -0.04 6.97 7.09 2b7oA1 GLN 448 HE22 -0.10 -0.03 0.08 -0.04 7.69 7.60 2b7oA1 SER 449 H 0.01 0.53 -0.22 -0.55 8.46 8.24 2b7oA1 SER 449 HA 0.08 0.03 0.38 -0.75 4.49 4.23 2b7oA1 SER 449 HB2 0.00 0.02 -0.08 -0.04 3.95 3.85 2b7oA1 SER 449 HB3 0.01 -0.04 -0.05 -0.04 3.93 3.82 2b7oA1 LEU 450 H -0.11 0.38 -0.25 -0.55 8.37 7.85 2b7oA1 LEU 450 HA -0.11 0.11 0.42 -0.75 4.35 4.02 2b7oA1 LEU 450 HB2 -0.38 0.16 0.12 -0.04 1.64 1.50 2b7oA1 LEU 450 HB3 -0.99 -0.00 -0.01 -0.04 1.64 0.59 2b7oA1 LEU 450 HG -0.19 0.00 0.01 -0.04 1.64 1.42 2b7oA1 LEU 450 HD13 -0.11 0.01 -0.03 -0.04 0.93 0.76 2b7oA1 LEU 450 HD23 -0.60 -0.02 -0.07 -0.04 0.89 0.16 2b7oA1 GLU 451 H -0.14 0.60 -0.01 -0.55 8.60 8.49 2b7oA1 GLU 451 HA -0.19 0.01 0.42 -0.75 4.29 3.78 2b7oA1 GLU 451 HB2 0.12 0.06 0.13 -0.04 2.09 2.36 2b7oA1 GLU 451 HB3 0.08 0.04 0.20 -0.04 1.99 2.28 2b7oA1 GLU 451 HG2 0.42 -0.01 -0.19 -0.04 2.34 2.52 2b7oA1 GLU 451 HG3 0.09 -0.01 0.01 -0.04 2.34 2.40 2b7oA1 LEU 452 H 0.22 0.63 -0.24 -0.55 8.37 8.42 2b7oA1 LEU 452 HA 0.13 -0.04 0.42 -0.75 4.35 4.11 2b7oA1 LEU 452 HB2 0.12 -0.05 0.09 -0.04 1.64 1.76 2b7oA1 LEU 452 HB3 0.08 0.17 0.08 -0.04 1.64 1.92 2b7oA1 LEU 452 HG 0.02 0.06 -0.20 -0.04 1.64 1.47 2b7oA1 LEU 452 HD13 -0.13 -0.02 -0.02 -0.04 0.93 0.71 2b7oA1 LEU 452 HD23 -0.02 -0.00 -0.07 -0.04 0.89 0.76 2b7oA1 ALA 453 H 0.03 0.39 -0.35 -0.55 8.40 7.92 2b7oA1 ALA 453 HA -0.00 0.05 0.43 -0.75 4.34 4.06 2b7oA1 ALA 453 HB3 -0.07 0.03 0.03 -0.04 1.41 1.37 2b7oA1 PHE 454 H 0.15 0.46 -0.09 -0.55 8.34 8.31 2b7oA1 PHE 454 HA -0.01 0.01 0.36 -0.75 4.62 4.23 2b7oA1 PHE 454 HB2 -0.48 0.13 0.18 -0.04 3.15 2.94 2b7oA1 PHE 454 HB3 -0.09 -0.05 0.00 -0.04 3.06 2.88 2b7oA1 PHE 454 HD2 -0.03 0.11 -0.03 -0.04 7.28 7.29 2b7oA1 PHE 454 HE2 0.09 -0.05 -0.06 -0.04 7.38 7.32 2b7oA1 PHE 454 HZ 0.23 -0.02 -0.04 -0.04 7.32 7.45 2b7oA1 LEU 455 H 0.12 0.44 -0.24 -0.55 8.37 8.14 2b7oA1 LEU 455 HA 0.14 -0.02 0.34 -0.75 4.35 4.05 2b7oA1 LEU 455 HB2 0.07 0.08 0.11 -0.04 1.64 1.86 2b7oA1 LEU 455 HB3 0.07 -0.05 0.02 -0.04 1.64 1.64 2b7oA1 LEU 455 HG 0.23 0.15 0.02 -0.04 1.64 2.00 2b7oA1 LEU 455 HD13 0.30 -0.05 -0.10 -0.04 0.93 1.05 2b7oA1 LEU 455 HD23 0.27 -0.02 -0.03 -0.04 0.89 1.07 2b7oA1 VAL 456 H 0.01 0.52 -0.16 -0.55 8.24 8.05 2b7oA1 VAL 456 HA -0.16 0.02 0.46 -0.75 4.13 3.70 2b7oA1 VAL 456 HB 0.00 0.03 0.11 -0.04 2.12 2.22 2b7oA1 VAL 456 HG13 0.09 0.00 -0.08 -0.04 0.97 0.94 2b7oA1 VAL 456 HG23 0.04 0.02 -0.00 -0.04 0.95 0.97 2b7oA1 ALA 457 H -0.06 0.66 -0.10 -0.55 8.40 8.36 2b7oA1 ALA 457 HA -0.12 0.05 0.43 -0.75 4.34 3.95 2b7oA1 ALA 457 HB3 -0.06 -0.03 -0.01 -0.04 1.41 1.27 2b7oA1 GLU 458 H 0.01 0.40 -0.25 -0.55 8.60 8.22 2b7oA1 GLU 458 HA 0.01 -0.01 0.31 -0.75 4.29 3.84 2b7oA1 GLU 458 HB2 0.03 0.16 0.14 -0.04 2.09 2.38 2b7oA1 GLU 458 HB3 0.02 -0.10 0.11 -0.04 1.99 1.98 2b7oA1 GLU 458 HG2 0.14 0.19 0.05 -0.04 2.34 2.68 2b7oA1 GLU 458 HG3 0.14 -0.10 0.01 -0.04 2.34 2.35 2b7oA1 LEU 460 HA 0.01 -0.10 0.29 -0.75 4.35 3.80 2b7oA1 LEU 460 HB2 -0.16 0.03 0.07 -0.04 1.64 1.54 2b7oA1 LEU 460 HB3 -0.10 0.13 -0.47 -0.04 1.64 1.16 2b7oA1 LEU 460 HG -0.29 -0.02 -0.09 -0.04 1.64 1.20 2b7oA1 LEU 460 HD13 0.01 -0.01 0.02 -0.04 0.93 0.91 2b7oA1 LEU 460 HD23 -0.55 -0.02 -0.15 -0.04 0.89 0.13 2b7oA1 ARG 461 H -0.07 0.39 -0.96 -0.55 8.46 7.27 2b7oA1 ARG 461 HA -0.03 0.16 0.49 -0.75 4.34 4.20 2b7oA1 ARG 461 HB2 -0.01 0.00 0.06 -0.04 1.90 1.91 2b7oA1 ARG 461 HB3 -0.01 -0.16 0.06 -0.04 1.80 1.65 2b7oA1 ARG 461 HG2 -0.03 0.10 0.04 -0.04 1.67 1.74 2b7oA1 ARG 461 HG3 -0.02 0.50 -0.01 -0.04 1.67 2.10 2b7oA1 ARG 461 HD2 0.07 -0.09 -0.19 -0.04 3.22 2.96 2b7oA1 ARG 461 HD3 0.04 -0.09 -0.04 -0.04 3.22 3.09 2b7oA1 ASP 462 H -0.04 0.39 0.14 -0.55 8.40 8.34 2b7oA1 ASP 462 HA 0.00 0.05 0.51 -0.75 4.63 4.43 2b7oA1 ASP 462 HB2 -0.03 0.09 0.01 -0.04 2.71 2.73 2b7oA1 ASP 462 HB3 -0.00 -0.10 0.04 -0.04 2.70 2.60