============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 74 rings ring int. center anis. iso. TYR 7 0.840 47.854 67.870 6.904 -99.200 -91.000 TYR 11 0.840 44.355 69.196 11.642 -99.200 -91.000 PHE 13 1.000 45.044 57.883 15.558 -99.200 -91.000 TYR 16 0.840 40.023 58.124 18.577 -99.200 -91.000 HIS 17 0.900 38.197 59.119 22.334 -99.200 -91.000 TYR 31 0.840 36.585 67.811 35.357 -99.200 -91.000 TRP 47 1.040 46.726 52.578 52.672 -99.200 -91.000 TRP6 47 1.020 45.749 51.850 54.697 -99.200 -91.000 PHE 53 1.000 47.881 66.068 47.644 -99.200 -91.000 PHE 61 1.000 49.408 41.073 49.303 -99.200 -91.000 PHE 63 1.000 45.234 37.107 49.086 -99.200 -91.000 PHE 77 1.000 35.761 35.479 55.481 -99.200 -91.000 PHE 80 1.000 39.717 37.352 47.559 -99.200 -91.000 TRP 95 1.040 45.690 49.433 41.663 -99.200 -91.000 TRP6 95 1.020 45.011 51.494 40.718 -99.200 -91.000 PHE 103 1.000 50.187 47.124 46.840 -99.200 -91.000 PHE 116 1.000 42.943 41.787 48.204 -99.200 -91.000 TYR 119 0.840 29.388 40.764 49.834 -99.200 -91.000 TYR 129 0.840 19.592 36.633 43.326 -99.200 -91.000 TYR 134 0.840 30.939 45.694 50.637 -99.200 -91.000 TYR 136 0.840 34.273 49.547 54.555 -99.200 -91.000 TYR 137 0.840 37.239 56.417 50.018 -99.200 -91.000 TYR 141 0.840 38.013 53.732 58.257 -99.200 -91.000 TRP 148 1.040 34.930 43.828 53.149 -99.200 -91.000 TRP6 148 1.020 35.495 42.015 54.558 -99.200 -91.000 TYR 149 0.840 36.856 41.853 46.231 -99.200 -91.000 TYR 151 0.840 33.350 32.078 46.806 -99.200 -91.000 TYR 164 0.840 32.350 44.249 36.400 -99.200 -91.000 PHE 169 1.000 39.522 39.796 42.720 -99.200 -91.000 HIS 171 0.900 35.711 50.320 41.060 -99.200 -91.000 HIS 175 0.900 36.418 52.719 45.588 -99.200 -91.000 HIS 181 0.900 32.396 54.613 43.029 -99.200 -91.000 TYR 185 0.840 29.565 57.380 39.840 -99.200 -91.000 TYR 194 0.840 28.783 59.575 30.200 -99.200 -91.000 TYR 199 0.840 35.780 63.395 35.003 -99.200 -91.000 TYR 204 0.840 33.747 50.221 33.237 -99.200 -91.000 PHE 206 1.000 38.718 59.292 28.500 -99.200 -91.000 PHE 211 1.000 29.773 52.245 40.455 -99.200 -91.000 TRP 212 1.040 29.194 56.479 34.822 -99.200 -91.000 TRP6 212 1.020 27.479 55.374 36.021 -99.200 -91.000 TYR 221 0.840 37.774 49.591 25.910 -99.200 -91.000 HIS 224 0.900 37.288 40.793 25.102 -99.200 -91.000 TYR 225 0.840 33.473 44.110 31.663 -99.200 -91.000 TYR 241 0.840 49.647 55.927 47.793 -99.200 -91.000 TYR 254 0.840 54.620 48.242 26.853 -99.200 -91.000 PHE 256 1.000 49.314 40.166 18.086 -99.200 -91.000 PHE 264 1.000 48.330 45.041 32.966 -99.200 -91.000 TYR 265 0.840 51.158 47.049 30.039 -99.200 -91.000 PHE 276 1.000 48.390 48.226 25.947 -99.200 -91.000 TRP 279 1.040 54.832 53.858 34.896 -99.200 -91.000 TRP6 279 1.020 55.017 56.205 34.639 -99.200 -91.000 PHE 287 1.000 51.916 51.363 22.213 -99.200 -91.000 PHE 289 1.000 49.500 47.872 19.459 -99.200 -91.000 TYR 292 0.840 45.277 42.840 17.281 -99.200 -91.000 PHE 305 1.000 42.292 57.105 25.441 -99.200 -91.000 HIS 319 0.900 51.893 64.228 31.835 -99.200 -91.000 TYR 354 0.840 52.781 63.517 11.404 -99.200 -91.000 TYR 363 0.840 62.196 49.667 7.861 -99.200 -91.000 PHE 371 1.000 56.550 55.653 3.384 -99.200 -91.000 TYR 373 0.840 58.011 63.190 5.451 -99.200 -91.000 TYR 384 0.840 69.659 62.122 7.332 -99.200 -91.000 TRP 386 1.040 68.281 56.946 6.983 -99.200 -91.000 TRP6 386 1.020 69.100 56.707 4.776 -99.200 -91.000 PHE 390 1.000 58.697 55.931 -2.213 -99.200 -91.000 PHE 402 1.000 56.403 71.057 3.477 -99.200 -91.000 PHE 410 1.000 60.200 66.477 -8.917 -99.200 -91.000 PHE 415 1.000 66.363 72.758 -4.368 -99.200 -91.000 TRP 426 1.040 70.109 56.645 -8.823 -99.200 -91.000 TRP6 426 1.020 69.229 55.113 -7.252 -99.200 -91.000 TRP 436 1.040 68.636 67.161 -1.563 -99.200 -91.000 TRP6 436 1.020 69.717 67.583 0.499 -99.200 -91.000 HIS 438 0.900 65.365 77.202 -1.238 -99.200 -91.000 HIS 442 0.900 63.035 76.978 6.213 -99.200 -91.000 PHE 447 1.000 61.075 67.934 4.299 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1k7iA1 ALA 18 HA -0.09 -0.03 0.12 -0.75 4.34 3.59 1k7iA1 ALA 18 HB3 -0.04 0.00 -0.01 -0.04 1.41 1.32 1k7iA1 ASN 19 H -0.05 0.25 -0.04 -0.55 8.53 8.14 1k7iA1 ASN 19 HA -0.05 0.12 0.71 -0.75 4.76 4.78 1k7iA1 ASN 19 HB2 -0.03 0.01 0.05 -0.04 2.88 2.87 1k7iA1 ASN 19 HB3 -0.03 -0.02 0.19 -0.04 2.79 2.89 1k7iA1 ASN 19 HD21 -0.01 -0.03 -0.03 -0.04 7.03 6.92 1k7iA1 ASN 19 HD22 -0.01 0.01 -0.02 -0.04 7.74 7.68 1k7iA1 THR 20 H -0.12 0.29 -0.00 -0.55 8.28 7.90 1k7iA1 THR 20 HA -0.16 0.10 0.54 -0.75 4.39 4.11 1k7iA1 THR 20 HB -0.39 -0.15 -0.05 -0.04 4.32 3.69 1k7iA1 THR 20 HG23 -0.78 0.02 -0.21 -0.04 1.22 0.21 1k7iA1 SER 21 H 0.01 -0.01 0.09 -0.55 8.46 8.00 1k7iA1 SER 21 HA 0.03 0.23 0.42 -0.75 4.49 4.42 1k7iA1 SER 21 HB2 0.07 0.00 0.16 -0.04 3.95 4.14 1k7iA1 SER 21 HB3 0.06 0.11 0.12 -0.04 3.93 4.18 1k7iA1 SER 22 H 0.05 0.21 0.15 -0.55 8.46 8.32 1k7iA1 SER 22 HA 0.05 0.17 0.43 -0.75 4.49 4.39 1k7iA1 SER 22 HB2 0.03 0.07 0.04 -0.04 3.95 4.04 1k7iA1 SER 22 HB3 0.03 0.07 0.10 -0.04 3.93 4.09 1k7iA1 ALA 23 H 0.07 0.04 -0.14 -0.55 8.40 7.83 1k7iA1 ALA 23 HA 0.04 0.18 0.37 -0.75 4.34 4.17 1k7iA1 ALA 23 HB3 0.08 0.02 -0.01 -0.04 1.41 1.45 1k7iA1 TYR 24 H 0.20 -0.01 -0.32 -0.55 8.29 7.61 1k7iA1 TYR 24 HA 0.03 0.07 0.31 -0.75 4.56 4.22 1k7iA1 TYR 24 HB2 0.05 -0.10 0.01 -0.04 3.06 2.99 1k7iA1 TYR 24 HB3 0.02 0.13 -0.00 -0.04 2.98 3.09 1k7iA1 TYR 24 HD2 0.01 0.02 -0.26 -0.04 7.15 6.87 1k7iA1 TYR 24 HE2 -0.14 0.04 -0.04 -0.04 6.85 6.68 1k7iA1 ASN 25 H 0.20 0.49 -0.29 -0.55 8.53 8.39 1k7iA1 ASN 25 HA 0.16 0.02 0.33 -0.75 4.76 4.51 1k7iA1 ASN 25 HB2 0.08 0.05 0.08 -0.04 2.88 3.05 1k7iA1 ASN 25 HB3 0.08 -0.01 -0.02 -0.04 2.79 2.80 1k7iA1 ASN 25 HD21 0.03 0.10 -0.14 -0.04 7.03 6.98 1k7iA1 ASN 25 HD22 0.04 -0.09 -0.12 -0.04 7.74 7.54 1k7iA1 SER 26 H 0.04 0.48 -0.32 -0.55 8.46 8.12 1k7iA1 SER 26 HA 0.02 0.03 0.39 -0.75 4.49 4.18 1k7iA1 SER 26 HB2 -0.03 -0.02 0.04 -0.04 3.95 3.90 1k7iA1 SER 26 HB3 0.00 0.04 0.10 -0.04 3.93 4.03 1k7iA1 VAL 27 H -0.06 0.36 -0.30 -0.55 8.24 7.69 1k7iA1 VAL 27 HA 0.02 0.06 0.44 -0.75 4.13 3.90 1k7iA1 VAL 27 HB -0.33 0.09 0.13 -0.04 2.12 1.98 1k7iA1 VAL 27 HG13 -0.64 -0.01 -0.18 -0.04 0.97 0.10 1k7iA1 VAL 27 HG23 -0.04 0.03 -0.08 -0.04 0.95 0.82 1k7iA1 TYR 28 H -0.16 0.62 0.00 -0.55 8.29 8.20 1k7iA1 TYR 28 HA -0.24 0.01 0.31 -0.75 4.56 3.88 1k7iA1 TYR 28 HB2 -0.45 -0.01 0.04 -0.04 3.06 2.59 1k7iA1 TYR 28 HB3 -0.07 0.07 0.10 -0.04 2.98 3.04 1k7iA1 TYR 28 HD2 -0.03 -0.00 -0.14 -0.04 7.15 6.94 1k7iA1 TYR 28 HE2 0.05 -0.00 -0.05 -0.04 6.85 6.81 1k7iA1 ASP 29 H 0.12 0.60 -0.22 -0.55 8.40 8.36 1k7iA1 ASP 29 HA 0.06 0.05 0.43 -0.75 4.63 4.41 1k7iA1 ASP 29 HB2 0.08 0.07 0.08 -0.04 2.71 2.90 1k7iA1 ASP 29 HB3 0.08 -0.04 -0.04 -0.04 2.70 2.65 1k7iA1 PHE 30 H 0.14 0.45 -0.18 -0.55 8.34 8.20 1k7iA1 PHE 30 HA -0.08 -0.01 0.40 -0.75 4.62 4.17 1k7iA1 PHE 30 HB2 -0.09 0.03 0.15 -0.04 3.15 3.20 1k7iA1 PHE 30 HB3 -0.06 0.08 0.15 -0.04 3.06 3.18 1k7iA1 PHE 30 HD2 -0.16 -0.02 -0.02 -0.04 7.28 7.04 1k7iA1 PHE 30 HE2 0.04 0.02 -0.29 -0.04 7.38 7.11 1k7iA1 PHE 30 HZ 0.13 -0.03 -0.27 -0.04 7.32 7.12 1k7iA1 LEU 31 H -0.09 0.51 -0.36 -0.55 8.37 7.88 1k7iA1 LEU 31 HA -0.26 0.01 0.41 -0.75 4.35 3.76 1k7iA1 LEU 31 HB2 -0.24 0.19 0.07 -0.04 1.64 1.63 1k7iA1 LEU 31 HB3 -0.16 -0.06 -0.00 -0.04 1.64 1.37 1k7iA1 LEU 31 HG -0.17 0.05 -0.03 -0.04 1.64 1.45 1k7iA1 LEU 31 HD13 -0.28 -0.04 -0.10 -0.04 0.93 0.47 1k7iA1 LEU 31 HD23 -0.05 -0.01 0.01 -0.04 0.89 0.79 1k7iA1 ARG 32 H -0.07 0.40 -0.54 -0.55 8.46 7.70 1k7iA1 ARG 32 HA -0.02 0.14 0.74 -0.75 4.34 4.44 1k7iA1 ARG 32 HB2 -0.06 0.09 0.11 -0.04 1.90 2.01 1k7iA1 ARG 32 HB3 -0.02 -0.12 0.15 -0.04 1.80 1.77 1k7iA1 ARG 32 HG2 -0.13 -0.03 -0.07 -0.04 1.67 1.40 1k7iA1 ARG 32 HG3 -0.28 0.03 -0.18 -0.04 1.67 1.21 1k7iA1 ARG 32 HD2 -0.43 0.05 -0.04 -0.04 3.22 2.76 1k7iA1 ARG 32 HD3 -0.10 -0.06 -0.01 -0.04 3.22 3.00 1k7iA1 TYR 33 H 0.09 0.39 -0.41 -0.55 8.29 7.82 1k7iA1 TYR 33 HA -0.01 -0.07 0.45 -0.75 4.56 4.18 1k7iA1 TYR 33 HB2 0.12 0.04 0.21 -0.04 3.06 3.38 1k7iA1 TYR 33 HB3 0.00 0.07 0.16 -0.04 2.98 3.17 1k7iA1 TYR 33 HD2 0.14 0.10 -0.00 -0.04 7.15 7.35 1k7iA1 TYR 33 HE2 0.14 -0.06 -0.13 -0.04 6.85 6.76 1k7iA1 HIS 34 H -0.19 0.08 0.20 -0.55 8.41 7.96 1k7iA1 HIS 34 HA -0.04 0.01 0.34 -0.75 4.63 4.19 1k7iA1 HIS 34 HB2 -0.19 0.16 -0.20 -0.04 3.26 3.00 1k7iA1 HIS 34 HB3 -0.03 -0.04 0.17 -0.04 3.20 3.27 1k7iA1 HIS 34 HD2 -0.03 -0.00 0.03 -0.04 6.97 6.92 1k7iA1 HIS 34 HE1 -0.43 -0.04 -0.18 -0.04 7.75 7.05 1k7iA1 ASP 35 H 0.06 0.20 -0.12 -0.55 8.40 7.99 1k7iA1 ASP 35 HA 0.10 0.06 0.33 -0.75 4.63 4.37 1k7iA1 ASP 35 HB2 0.05 -0.02 0.09 -0.04 2.71 2.78 1k7iA1 ASP 35 HB3 0.05 -0.05 -0.07 -0.04 2.70 2.59 1k7iA1 ARG 36 H 0.09 0.20 0.18 -0.55 8.46 8.37 1k7iA1 ARG 36 HA 0.07 0.11 0.61 -0.75 4.34 4.38 1k7iA1 ARG 36 HB2 0.06 0.05 0.02 -0.04 1.90 1.99 1k7iA1 ARG 36 HB3 0.10 0.16 -0.21 -0.04 1.80 1.81 1k7iA1 ARG 36 HG2 0.14 0.04 0.05 -0.04 1.67 1.86 1k7iA1 ARG 36 HG3 0.09 -0.18 -0.16 -0.04 1.67 1.39 1k7iA1 ARG 36 HD2 0.30 0.14 -0.02 -0.04 3.22 3.60 1k7iA1 ARG 36 HD3 0.22 -0.07 0.02 -0.04 3.22 3.34 1k7iA1 GLY 37 H 0.07 0.07 -0.29 -0.55 8.43 7.72 1k7iA1 GLY 37 HA2 0.03 0.11 0.08 -0.51 4.01 3.72 1k7iA1 GLY 37 HA3 0.02 -0.01 0.46 -0.51 4.01 3.98 1k7iA1 ASP 38 H 0.00 0.05 0.17 -0.55 8.40 8.07 1k7iA1 ASP 38 HA 0.00 0.03 0.35 -0.75 4.63 4.27 1k7iA1 ASP 38 HB2 0.02 0.04 -0.03 -0.04 2.71 2.70 1k7iA1 ASP 38 HB3 0.03 0.20 -0.21 -0.04 2.70 2.68 1k7iA1 GLY 39 H 0.02 0.12 0.11 -0.55 8.43 8.14 1k7iA1 GLY 39 HA2 0.02 0.22 0.85 -0.51 4.01 4.60 1k7iA1 GLY 39 HA3 0.02 -0.02 0.37 -0.51 4.01 3.86 1k7iA1 LEU 40 H 0.04 0.47 -0.17 -0.55 8.37 8.16 1k7iA1 LEU 40 HA 0.03 0.10 0.63 -0.75 4.35 4.35 1k7iA1 LEU 40 HB2 0.05 0.02 -0.04 -0.04 1.64 1.62 1k7iA1 LEU 40 HB3 0.04 -0.00 -0.08 -0.04 1.64 1.56 1k7iA1 LEU 40 HG 0.03 -0.05 -0.11 -0.04 1.64 1.48 1k7iA1 LEU 40 HD13 0.04 -0.01 -0.33 -0.04 0.93 0.59 1k7iA1 LEU 40 HD23 0.03 0.01 -0.09 -0.04 0.89 0.80 1k7iA1 THR 41 H 0.03 0.22 0.13 -0.55 8.28 8.12 1k7iA1 THR 41 HA 0.04 0.27 0.91 -0.75 4.39 4.86 1k7iA1 THR 41 HB 0.02 0.00 -0.13 -0.04 4.32 4.17 1k7iA1 THR 41 HG23 0.03 0.02 -0.23 -0.04 1.22 1.00 1k7iA1 VAL 42 H 0.03 0.54 0.12 -0.55 8.24 8.38 1k7iA1 VAL 42 HA 0.03 0.16 0.97 -0.75 4.13 4.54 1k7iA1 VAL 42 HB 0.05 -0.06 0.02 -0.04 2.12 2.08 1k7iA1 VAL 42 HG13 0.06 0.02 -0.08 -0.04 0.97 0.94 1k7iA1 VAL 42 HG23 0.05 0.02 -0.18 -0.04 0.95 0.80 1k7iA1 ASN 43 H 0.03 0.19 0.14 -0.55 8.53 8.35 1k7iA1 ASN 43 HA 0.04 0.04 0.32 -0.75 4.76 4.40 1k7iA1 ASN 43 HB2 0.12 0.14 -0.07 -0.04 2.88 3.03 1k7iA1 ASN 43 HB3 0.15 0.01 0.21 -0.04 2.79 3.12 1k7iA1 ASN 43 HD21 0.05 0.05 0.09 -0.04 7.03 7.17 1k7iA1 ASN 43 HD22 0.23 0.01 -0.05 -0.04 7.74 7.89 1k7iA1 GLY 44 H 0.01 0.04 -0.44 -0.55 8.43 7.50 1k7iA1 GLY 44 HA2 0.00 -0.02 0.16 -0.51 4.01 3.64 1k7iA1 GLY 44 HA3 -0.01 0.07 0.34 -0.51 4.01 3.91 1k7iA1 LYS 45 H -0.00 0.49 -0.52 -0.55 8.42 7.84 1k7iA1 LYS 45 HA -0.03 0.22 0.88 -0.75 4.32 4.64 1k7iA1 LYS 45 HB2 -0.05 -0.00 -0.07 -0.04 1.87 1.71 1k7iA1 LYS 45 HB3 -0.08 -0.04 -0.10 -0.04 1.79 1.53 1k7iA1 LYS 45 HG2 -0.14 0.08 -0.16 -0.04 1.46 1.19 1k7iA1 LYS 45 HG3 -0.11 0.16 -0.29 -0.04 1.46 1.17 1k7iA1 LYS 45 HD2 -0.34 -0.08 -0.18 -0.04 1.69 1.04 1k7iA1 LYS 45 HD3 -0.33 -0.01 -0.41 -0.04 1.68 0.89 1k7iA1 LYS 45 HE2 -0.47 -0.07 -0.05 -0.04 2.99 2.36 1k7iA1 LYS 45 HE3 -1.17 0.08 0.01 -0.04 2.99 1.88 1k7iA1 THR 46 H 0.01 0.25 0.16 -0.55 8.28 8.16 1k7iA1 THR 46 HA 0.07 0.13 0.53 -0.75 4.39 4.37 1k7iA1 THR 46 HB 0.13 0.04 0.16 -0.04 4.32 4.61 1k7iA1 THR 46 HG23 0.22 0.01 -0.07 -0.04 1.22 1.34 1k7iA1 SER 47 H 0.10 0.53 0.27 -0.55 8.46 8.82 1k7iA1 SER 47 HA 0.11 -0.04 0.83 -0.75 4.49 4.63 1k7iA1 SER 47 HB2 0.06 -0.02 -0.11 -0.04 3.95 3.85 1k7iA1 SER 47 HB3 0.07 0.18 0.07 -0.04 3.93 4.22 1k7iA1 TYR 48 H 0.21 0.08 0.18 -0.55 8.29 8.21 1k7iA1 TYR 48 HA -0.07 0.19 0.87 -0.75 4.56 4.80 1k7iA1 TYR 48 HB2 -0.27 -0.07 0.05 -0.04 3.06 2.72 1k7iA1 TYR 48 HB3 -0.31 0.05 -0.08 -0.04 2.98 2.60 1k7iA1 TYR 48 HD2 -0.40 -0.03 -0.59 -0.04 7.15 6.09 1k7iA1 TYR 48 HE2 -0.11 0.06 -0.10 -0.04 6.85 6.66 1k7iA1 SER 49 H -0.07 0.11 0.18 -0.55 8.46 8.14 1k7iA1 SER 49 HA 0.04 0.22 0.44 -0.75 4.49 4.44 1k7iA1 SER 49 HB2 -0.01 0.04 0.17 -0.04 3.95 4.11 1k7iA1 SER 49 HB3 -0.03 0.07 0.16 -0.04 3.93 4.09 1k7iA1 ILE 50 H 0.05 0.24 0.15 -0.55 8.25 8.14 1k7iA1 ILE 50 HA 0.11 0.12 0.38 -0.75 4.18 4.04 1k7iA1 ILE 50 HB 0.00 -0.03 0.16 -0.04 1.89 1.98 1k7iA1 ILE 50 HG12 0.20 0.02 0.04 -0.04 1.49 1.72 1k7iA1 ILE 50 HG13 0.14 -0.01 0.13 -0.04 1.21 1.43 1k7iA1 ILE 50 HG23 0.10 0.01 -0.10 -0.04 0.93 0.90 1k7iA1 ILE 50 HD13 0.16 0.03 0.08 -0.04 0.88 1.10 1k7iA1 ASP 51 H -0.05 0.10 -0.10 -0.55 8.40 7.80 1k7iA1 ASP 51 HA -0.03 0.15 0.40 -0.75 4.63 4.40 1k7iA1 ASP 51 HB2 -0.08 -0.05 0.06 -0.04 2.71 2.59 1k7iA1 ASP 51 HB3 -0.08 0.10 -0.02 -0.04 2.70 2.66 1k7iA1 GLN 52 H -0.10 0.00 -0.31 -0.55 8.47 7.51 1k7iA1 GLN 52 HA -0.20 0.15 0.44 -0.75 4.36 3.99 1k7iA1 GLN 52 HB2 -0.30 -0.09 0.14 -0.04 2.15 1.86 1k7iA1 GLN 52 HB3 -0.87 0.11 0.03 -0.04 2.02 1.24 1k7iA1 GLN 52 HG2 -0.28 0.12 0.04 -0.04 2.40 2.23 1k7iA1 GLN 52 HG3 -0.18 -0.11 0.07 -0.04 2.39 2.13 1k7iA1 GLN 52 HE21 -0.19 0.10 0.05 -0.04 6.97 6.89 1k7iA1 GLN 52 HE22 -0.24 0.04 0.03 -0.04 7.69 7.48 1k7iA1 ALA 53 H -0.04 0.50 -0.26 -0.55 8.40 8.05 1k7iA1 ALA 53 HA -0.22 0.04 0.37 -0.75 4.34 3.78 1k7iA1 ALA 53 HB3 0.07 0.03 0.03 -0.04 1.41 1.49 1k7iA1 ALA 54 H 0.02 0.44 -0.17 -0.55 8.40 8.14 1k7iA1 ALA 54 HA 0.08 0.04 0.40 -0.75 4.34 4.11 1k7iA1 ALA 54 HB3 0.04 0.03 -0.04 -0.04 1.41 1.40 1k7iA1 ALA 55 H -0.03 0.46 -0.24 -0.55 8.40 8.05 1k7iA1 ALA 55 HA 0.00 0.08 0.35 -0.75 4.34 4.01 1k7iA1 ALA 55 HB3 -0.06 0.02 0.06 -0.04 1.41 1.39 1k7iA1 GLN 56 H 0.01 0.37 -0.30 -0.55 8.47 8.00 1k7iA1 GLN 56 HA 0.06 0.03 0.43 -0.75 4.36 4.12 1k7iA1 GLN 56 HB2 0.15 -0.02 0.10 -0.04 2.15 2.34 1k7iA1 GLN 56 HB3 0.05 0.07 0.18 -0.04 2.02 2.29 1k7iA1 GLN 56 HG2 0.29 -0.09 0.04 -0.04 2.40 2.60 1k7iA1 GLN 56 HG3 0.19 0.04 -0.18 -0.04 2.39 2.40 1k7iA1 GLN 56 HE21 0.09 -0.08 0.01 -0.04 6.97 6.94 1k7iA1 GLN 56 HE22 0.13 0.31 -0.00 -0.04 7.69 8.09 1k7iA1 ILE 57 H 0.08 0.53 -0.12 -0.55 8.25 8.18 1k7iA1 ILE 57 HA 0.08 0.12 0.32 -0.75 4.18 3.95 1k7iA1 ILE 57 HB 0.10 0.08 0.12 -0.04 1.89 2.14 1k7iA1 ILE 57 HG12 0.18 -0.01 -0.08 -0.04 1.49 1.53 1k7iA1 ILE 57 HG13 0.19 0.15 0.02 -0.04 1.21 1.53 1k7iA1 ILE 57 HG23 0.09 0.04 -0.04 -0.04 0.93 0.98 1k7iA1 ILE 57 HD13 0.21 -0.05 -0.18 -0.04 0.88 0.82 1k7iA1 THR 58 H 0.03 0.37 -0.41 -0.55 8.28 7.72 1k7iA1 THR 58 HA -0.05 0.22 0.87 -0.75 4.39 4.67 1k7iA1 THR 58 HB 0.00 -0.05 0.18 -0.04 4.32 4.42 1k7iA1 THR 58 HG23 0.02 0.02 -0.04 -0.04 1.22 1.18 1k7iA1 ARG 59 H -0.01 0.38 -0.50 -0.55 8.46 7.78 1k7iA1 ARG 59 HA -0.00 0.07 0.38 -0.75 4.34 4.03 1k7iA1 ARG 59 HB2 -0.01 -0.10 0.09 -0.04 1.90 1.84 1k7iA1 ARG 59 HB3 0.01 0.05 0.19 -0.04 1.80 2.01 1k7iA1 ARG 59 HG2 -0.01 0.22 0.05 -0.04 1.67 1.88 1k7iA1 ARG 59 HG3 -0.04 -0.07 -0.17 -0.04 1.67 1.35 1k7iA1 ARG 59 HD2 0.00 -0.09 -0.03 -0.04 3.22 3.06 1k7iA1 ARG 59 HD3 0.03 0.01 0.03 -0.04 3.22 3.25 1k7iA1 GLU 60 H -0.13 0.16 -0.35 -0.55 8.60 7.73 1k7iA1 GLU 60 HA -0.13 0.05 0.45 -0.75 4.29 3.90 1k7iA1 GLU 60 HB2 -0.41 0.13 0.03 -0.04 2.09 1.81 1k7iA1 GLU 60 HB3 -0.38 -0.02 0.06 -0.04 1.99 1.62 1k7iA1 GLU 60 HG2 -0.20 -0.02 -0.01 -0.04 2.34 2.07 1k7iA1 GLU 60 HG3 -0.62 0.01 -0.02 -0.04 2.34 1.68 1k7iA1 ASN 61 H -0.10 0.52 -0.38 -0.55 8.53 8.02 1k7iA1 ASN 61 HA -0.13 0.09 0.33 -0.75 4.76 4.30 1k7iA1 ASN 61 HB2 -0.06 0.10 -0.11 -0.04 2.88 2.77 1k7iA1 ASN 61 HB3 -0.07 -0.23 0.26 -0.04 2.79 2.71 1k7iA1 ASN 61 HD21 0.03 -0.07 0.01 -0.04 7.03 6.96 1k7iA1 ASN 61 HD22 -0.01 -0.00 -0.07 -0.04 7.74 7.62 1k7iA1 VAL 62 H -0.25 0.22 -0.10 -0.55 8.24 7.56 1k7iA1 VAL 62 HA -0.23 0.22 1.04 -0.75 4.13 4.40 1k7iA1 VAL 62 HB -0.21 0.06 -0.12 -0.04 2.12 1.81 1k7iA1 VAL 62 HG13 -0.40 -0.04 -0.05 -0.04 0.97 0.44 1k7iA1 VAL 62 HG23 -0.21 0.00 -0.05 -0.04 0.95 0.65 1k7iA1 SER 63 H -0.24 0.57 0.36 -0.55 8.46 8.60 1k7iA1 SER 63 HA -0.21 0.32 0.62 -0.75 4.49 4.47 1k7iA1 SER 63 HB2 -0.45 0.03 0.20 -0.04 3.95 3.69 1k7iA1 SER 63 HB3 -0.41 0.08 -0.13 -0.04 3.93 3.42 1k7iA1 TRP 64 H 0.36 0.28 0.16 -0.55 7.97 8.22 1k7iA1 TRP 64 HA 0.02 0.08 0.52 -0.75 4.62 4.48 1k7iA1 TRP 64 HB2 0.15 0.03 0.11 -0.04 3.23 3.48 1k7iA1 TRP 64 HB3 0.03 -0.01 0.14 -0.04 3.23 3.35 1k7iA1 TRP 64 HD1 0.04 0.01 0.10 -0.04 7.22 7.33 1k7iA1 TRP 64 HE1 -0.01 0.38 0.17 -0.04 10.20 10.70 1k7iA1 TRP 64 HE3 -0.02 -0.02 0.12 -0.04 7.59 7.63 1k7iA1 TRP 64 HZ2 -0.05 0.14 0.03 -0.04 7.44 7.52 1k7iA1 TRP 64 HZ3 -0.07 0.07 0.11 -0.04 7.13 7.20 1k7iA1 TRP 64 HH2 -0.10 0.22 -0.02 -0.04 7.19 7.25 1k7iA1 ASN 65 H 0.04 0.08 -0.50 -0.55 8.53 7.60 1k7iA1 ASN 65 HA 0.09 0.16 0.77 -0.75 4.76 5.03 1k7iA1 ASN 65 HB2 -0.07 0.06 -0.07 -0.04 2.88 2.76 1k7iA1 ASN 65 HB3 -0.01 -0.04 0.05 -0.04 2.79 2.75 1k7iA1 ASN 65 HD21 0.20 0.25 -0.35 -0.04 7.03 7.09 1k7iA1 ASN 65 HD22 0.01 0.05 -0.09 -0.04 7.74 7.66 1k7iA1 GLY 66 H -0.06 0.38 -0.24 -0.55 8.43 7.96 1k7iA1 GLY 66 HA2 -0.06 -0.01 0.24 -0.51 4.01 3.67 1k7iA1 GLY 66 HA3 -0.06 0.19 0.92 -0.51 4.01 4.55 1k7iA1 THR 67 H -0.08 0.14 0.17 -0.55 8.28 7.96 1k7iA1 THR 67 HA -0.18 0.37 1.16 -0.75 4.39 4.98 1k7iA1 THR 67 HB -0.09 0.08 0.10 -0.04 4.32 4.37 1k7iA1 THR 67 HG23 -0.09 -0.00 0.00 -0.04 1.22 1.09 1k7iA1 ASN 68 H -0.24 0.57 0.23 -0.55 8.53 8.54 1k7iA1 ASN 68 HA -0.31 0.02 0.29 -0.75 4.76 4.00 1k7iA1 ASN 68 HB2 -0.02 0.14 -0.00 -0.04 2.88 2.96 1k7iA1 ASN 68 HB3 0.13 -0.05 0.20 -0.04 2.79 3.02 1k7iA1 ASN 68 HD21 0.04 0.00 0.02 -0.04 7.03 7.05 1k7iA1 ASN 68 HD22 0.15 -0.03 0.04 -0.04 7.74 7.87 1k7iA1 VAL 69 H -0.55 0.17 -0.39 -0.55 8.24 6.92 1k7iA1 VAL 69 HA -0.13 0.12 0.78 -0.75 4.13 4.14 1k7iA1 VAL 69 HB -0.24 -0.07 -0.24 -0.04 2.12 1.52 1k7iA1 VAL 69 HG13 -0.08 0.01 -0.17 -0.04 0.97 0.69 1k7iA1 VAL 69 HG23 -0.10 0.08 -0.33 -0.04 0.95 0.56 1k7iA1 PHE 70 H 0.12 0.16 0.09 -0.55 8.34 8.16 1k7iA1 PHE 70 HA -0.12 0.33 1.11 -0.75 4.62 5.19 1k7iA1 PHE 70 HB2 -0.04 -0.08 -0.02 -0.04 3.15 2.97 1k7iA1 PHE 70 HB3 -0.06 0.21 0.13 -0.04 3.06 3.29 1k7iA1 PHE 70 HD2 -0.06 0.06 -0.18 -0.04 7.28 7.05 1k7iA1 PHE 70 HE2 -0.06 0.05 -0.11 -0.04 7.38 7.21 1k7iA1 PHE 70 HZ -0.06 -0.00 -0.05 -0.04 7.32 7.16 1k7iA1 GLY 71 H 0.08 0.51 0.02 -0.55 8.43 8.49 1k7iA1 GLY 71 HA2 0.06 -0.02 0.06 -0.51 4.01 3.60 1k7iA1 GLY 71 HA3 0.07 -0.05 0.33 -0.51 4.01 3.85 1k7iA1 LYS 72 H -0.03 0.43 -0.32 -0.55 8.42 7.94 1k7iA1 LYS 72 HA 0.04 0.07 0.95 -0.75 4.32 4.63 1k7iA1 LYS 72 HB2 0.00 0.01 -0.16 -0.04 1.87 1.67 1k7iA1 LYS 72 HB3 -0.02 -0.00 -0.04 -0.04 1.79 1.69 1k7iA1 LYS 72 HG2 0.05 0.24 -0.15 -0.04 1.46 1.56 1k7iA1 LYS 72 HG3 0.03 -0.08 0.04 -0.04 1.46 1.41 1k7iA1 LYS 72 HD2 0.01 -0.03 -0.03 -0.04 1.69 1.59 1k7iA1 LYS 72 HD3 0.00 -0.01 -0.04 -0.04 1.68 1.60 1k7iA1 LYS 72 HE2 0.03 0.03 0.00 -0.04 2.99 3.01 1k7iA1 LYS 72 HE3 0.02 -0.05 0.00 -0.04 2.99 2.93 1k7iA1 SER 73 H 0.06 0.01 0.13 -0.55 8.46 8.12 1k7iA1 SER 73 HA 0.14 0.31 0.58 -0.75 4.49 4.77 1k7iA1 SER 73 HB2 0.02 0.03 0.11 -0.04 3.95 4.07 1k7iA1 SER 73 HB3 0.05 -0.01 0.15 -0.04 3.93 4.08 1k7iA1 ALA 74 H -0.03 0.55 0.36 -0.55 8.40 8.74 1k7iA1 ALA 74 HA 0.01 0.09 0.69 -0.75 4.34 4.38 1k7iA1 ALA 74 HB3 0.03 0.03 -0.08 -0.04 1.41 1.35 1k7iA1 ASN 75 H -0.06 0.24 0.13 -0.55 8.53 8.29 1k7iA1 ASN 75 HA -0.15 0.09 0.90 -0.75 4.76 4.85 1k7iA1 ASN 75 HB2 -0.06 -0.01 0.18 -0.04 2.88 2.95 1k7iA1 ASN 75 HB3 -0.07 0.01 0.02 -0.04 2.79 2.71 1k7iA1 ASN 75 HD21 -0.02 0.00 -0.06 -0.04 7.03 6.91 1k7iA1 ASN 75 HD22 -0.03 -0.01 -0.01 -0.04 7.74 7.65 1k7iA1 LEU 76 H -0.23 0.77 0.35 -0.55 8.37 8.71 1k7iA1 LEU 76 HA -0.24 0.17 1.08 -0.75 4.35 4.61 1k7iA1 LEU 76 HB2 -0.10 0.02 0.06 -0.04 1.64 1.57 1k7iA1 LEU 76 HB3 -0.32 0.00 0.13 -0.04 1.64 1.41 1k7iA1 LEU 76 HG -0.31 -0.07 -0.35 -0.04 1.64 0.87 1k7iA1 LEU 76 HD13 -0.24 0.01 -0.04 -0.04 0.93 0.62 1k7iA1 LEU 76 HD23 -0.56 0.04 -0.06 -0.04 0.89 0.27 1k7iA1 THR 77 H -0.22 0.10 0.32 -0.55 8.28 7.93 1k7iA1 THR 77 HA -0.01 0.30 1.10 -0.75 4.39 5.03 1k7iA1 THR 77 HB -0.15 0.09 0.15 -0.04 4.32 4.37 1k7iA1 THR 77 HG23 -0.11 0.02 -0.05 -0.04 1.22 1.04 1k7iA1 PHE 78 H -0.29 0.52 0.33 -0.55 8.34 8.35 1k7iA1 PHE 78 HA -0.19 0.42 0.91 -0.75 4.62 5.01 1k7iA1 PHE 78 HB2 -0.08 0.03 0.01 -0.04 3.15 3.07 1k7iA1 PHE 78 HB3 -0.11 0.02 -0.18 -0.04 3.06 2.75 1k7iA1 PHE 78 HD2 -0.27 -0.01 -0.31 -0.04 7.28 6.65 1k7iA1 PHE 78 HE2 0.04 0.03 -0.26 -0.04 7.38 7.15 1k7iA1 PHE 78 HZ 0.05 0.01 -0.07 -0.04 7.32 7.27 1k7iA1 LYS 79 H -0.09 0.52 0.36 -0.55 8.42 8.66 1k7iA1 LYS 79 HA -0.30 0.12 0.89 -0.75 4.32 4.29 1k7iA1 LYS 79 HB2 -0.16 0.06 -0.30 -0.04 1.87 1.43 1k7iA1 LYS 79 HB3 -0.13 -0.03 -0.05 -0.04 1.79 1.53 1k7iA1 LYS 79 HG2 -0.05 -0.12 -0.47 -0.04 1.46 0.78 1k7iA1 LYS 79 HG3 -0.07 0.12 0.01 -0.04 1.46 1.47 1k7iA1 LYS 79 HD2 -0.08 0.13 -0.31 -0.04 1.69 1.39 1k7iA1 LYS 79 HD3 -0.07 -0.08 -0.17 -0.04 1.68 1.31 1k7iA1 LYS 79 HE2 -0.02 -0.19 -0.09 -0.04 2.99 2.64 1k7iA1 LYS 79 HE3 -0.03 -0.11 -0.15 -0.04 2.99 2.66 1k7iA1 PHE 80 H -0.02 0.23 0.17 -0.55 8.34 8.17 1k7iA1 PHE 80 HA -0.09 0.12 0.91 -0.75 4.62 4.81 1k7iA1 PHE 80 HB2 0.00 -0.01 0.22 -0.04 3.15 3.32 1k7iA1 PHE 80 HB3 -0.02 0.01 0.10 -0.04 3.06 3.11 1k7iA1 PHE 80 HD2 -0.28 0.01 0.01 -0.04 7.28 6.99 1k7iA1 PHE 80 HE2 -0.30 0.02 -0.07 -0.04 7.38 6.99 1k7iA1 PHE 80 HZ -0.22 0.05 -0.05 -0.04 7.32 7.06 1k7iA1 LEU 81 H 0.02 0.41 0.28 -0.55 8.37 8.54 1k7iA1 LEU 81 HA 0.06 0.03 0.44 -0.75 4.35 4.12 1k7iA1 LEU 81 HB2 0.27 -0.02 0.11 -0.04 1.64 1.96 1k7iA1 LEU 81 HB3 -0.01 0.07 0.05 -0.04 1.64 1.71 1k7iA1 LEU 81 HG -0.11 0.04 0.09 -0.04 1.64 1.61 1k7iA1 LEU 81 HD13 -0.02 -0.01 -0.08 -0.04 0.93 0.78 1k7iA1 LEU 81 HD23 -0.05 0.01 -0.04 -0.04 0.89 0.77 1k7iA1 GLN 82 H 0.08 0.14 0.27 -0.55 8.47 8.41 1k7iA1 GLN 82 HA 0.24 0.14 0.84 -0.75 4.36 4.82 1k7iA1 GLN 82 HB2 0.07 -0.00 0.10 -0.04 2.15 2.28 1k7iA1 GLN 82 HB3 0.10 -0.02 0.13 -0.04 2.02 2.18 1k7iA1 GLN 82 HG2 0.09 0.11 0.08 -0.04 2.40 2.63 1k7iA1 GLN 82 HG3 0.06 -0.05 0.07 -0.04 2.39 2.43 1k7iA1 GLN 82 HE21 0.13 -0.06 -0.07 -0.04 6.97 6.93 1k7iA1 GLN 82 HE22 0.16 0.43 -0.26 -0.04 7.69 7.98 1k7iA1 SER 83 H -0.04 0.24 0.14 -0.55 8.46 8.25 1k7iA1 SER 83 HA -0.16 0.09 0.37 -0.75 4.49 4.04 1k7iA1 SER 83 HB2 -0.03 0.02 0.08 -0.04 3.95 3.98 1k7iA1 SER 83 HB3 0.04 0.13 -0.15 -0.04 3.93 3.91 1k7iA1 VAL 84 H -0.27 0.28 0.11 -0.55 8.24 7.81 1k7iA1 VAL 84 HA -0.15 0.21 0.77 -0.75 4.13 4.20 1k7iA1 VAL 84 HB -0.09 -0.00 -0.09 -0.04 2.12 1.90 1k7iA1 VAL 84 HG13 -0.47 0.00 -0.33 -0.04 0.97 0.13 1k7iA1 VAL 84 HG23 -0.21 0.00 -0.28 -0.04 0.95 0.42 1k7iA1 SER 85 H -0.05 0.17 0.14 -0.55 8.46 8.18 1k7iA1 SER 85 HA -0.04 0.12 0.61 -0.75 4.49 4.43 1k7iA1 SER 85 HB2 -0.03 0.03 0.04 -0.04 3.95 3.95 1k7iA1 SER 85 HB3 -0.03 0.01 0.07 -0.04 3.93 3.94 1k7iA1 SER 86 H -0.06 0.14 0.06 -0.55 8.46 8.06 1k7iA1 SER 86 HA -0.06 0.05 0.25 -0.75 4.49 3.98 1k7iA1 SER 86 HB2 -0.07 0.04 0.03 -0.04 3.95 3.91 1k7iA1 SER 86 HB3 -0.05 0.22 -0.13 -0.04 3.93 3.93 1k7iA1 ILE 87 H -0.16 0.26 0.05 -0.55 8.25 7.85 1k7iA1 ILE 87 HA -0.61 0.19 0.65 -0.75 4.18 3.66 1k7iA1 ILE 87 HB -0.34 0.16 0.04 -0.04 1.89 1.71 1k7iA1 ILE 87 HG12 -0.51 0.05 -0.18 -0.04 1.49 0.81 1k7iA1 ILE 87 HG13 -0.13 -0.07 -0.13 -0.04 1.21 0.84 1k7iA1 ILE 87 HG23 -1.50 -0.07 -0.14 -0.04 0.93 -0.82 1k7iA1 ILE 87 HD13 0.10 0.01 -0.31 -0.04 0.88 0.64 1k7iA1 PRO 88 HA -0.15 0.10 0.29 -0.51 4.44 4.16 1k7iA1 PRO 88 HB2 -0.47 0.08 -0.05 -0.04 2.28 1.80 1k7iA1 PRO 88 HB3 -0.22 0.09 0.04 -0.04 2.02 1.88 1k7iA1 PRO 88 HG2 -0.25 -0.03 -0.03 -0.04 2.03 1.68 1k7iA1 PRO 88 HG3 -0.11 0.13 0.04 -0.04 2.03 2.05 1k7iA1 PRO 88 HD2 -0.79 0.04 0.17 -0.04 3.68 3.06 1k7iA1 PRO 88 HD3 -0.08 0.21 0.16 -0.04 3.65 3.89 1k7iA1 SER 89 H -0.28 0.01 -0.47 -0.55 8.46 7.18 1k7iA1 SER 89 HA -0.07 0.19 0.48 -0.75 4.49 4.34 1k7iA1 SER 89 HB2 -0.40 0.02 -0.00 -0.04 3.95 3.52 1k7iA1 SER 89 HB3 -0.20 0.06 -0.05 -0.04 3.93 3.71 1k7iA1 GLY 90 H -0.18 0.47 -0.20 -0.55 8.43 7.96 1k7iA1 GLY 90 HA2 -0.09 0.07 0.28 -0.51 4.01 3.76 1k7iA1 GLY 90 HA3 -0.09 0.15 0.75 -0.51 4.01 4.30 1k7iA1 ASP 91 H -0.19 -0.05 -0.34 -0.55 8.40 7.28 1k7iA1 ASP 91 HA -0.05 -0.06 0.33 -0.75 4.63 4.10 1k7iA1 ASP 91 HB2 -0.25 -0.09 -0.06 -0.04 2.71 2.27 1k7iA1 ASP 91 HB3 -0.08 0.11 0.01 -0.04 2.70 2.70 1k7iA1 THR 92 H 0.08 0.61 0.08 -0.55 8.28 8.50 1k7iA1 THR 92 HA 0.07 0.16 0.76 -0.75 4.39 4.62 1k7iA1 THR 92 HB 0.06 -0.15 0.12 -0.04 4.32 4.31 1k7iA1 THR 92 HG23 0.01 0.05 -0.26 -0.04 1.22 0.98 1k7iA1 GLY 93 H 0.11 0.20 0.11 -0.55 8.43 8.31 1k7iA1 GLY 93 HA2 0.12 0.12 0.31 -0.51 4.01 4.04 1k7iA1 GLY 93 HA3 0.13 -0.02 0.45 -0.51 4.01 4.06 1k7iA1 PHE 94 H 0.28 0.00 -0.06 -0.55 8.34 8.01 1k7iA1 PHE 94 HA 0.20 0.27 0.41 -0.75 4.62 4.76 1k7iA1 PHE 94 HB2 0.14 -0.03 -0.04 -0.04 3.15 3.18 1k7iA1 PHE 94 HB3 0.10 -0.04 0.01 -0.04 3.06 3.09 1k7iA1 PHE 94 HD2 0.28 0.01 -0.21 -0.04 7.28 7.32 1k7iA1 PHE 94 HE2 0.19 0.06 -0.32 -0.04 7.38 7.27 1k7iA1 PHE 94 HZ 0.12 0.28 -0.36 -0.04 7.32 7.32 1k7iA1 VAL 95 H -0.69 0.56 0.16 -0.55 8.24 7.71 1k7iA1 VAL 95 HA -0.40 0.10 0.69 -0.75 4.13 3.77 1k7iA1 VAL 95 HB -0.52 -0.10 -0.01 -0.04 2.12 1.45 1k7iA1 VAL 95 HG13 -0.80 0.06 -0.07 -0.04 0.97 0.12 1k7iA1 VAL 95 HG23 -0.15 0.05 -0.25 -0.04 0.95 0.56 1k7iA1 LYS 96 H -0.30 0.13 0.08 -0.55 8.42 7.77 1k7iA1 LYS 96 HA -0.11 0.09 0.54 -0.75 4.32 4.09 1k7iA1 LYS 96 HB2 0.15 0.10 0.17 -0.04 1.87 2.25 1k7iA1 LYS 96 HB3 0.20 0.03 0.15 -0.04 1.79 2.12 1k7iA1 LYS 96 HG2 -0.05 -0.12 0.06 -0.04 1.46 1.31 1k7iA1 LYS 96 HG3 0.01 0.11 -0.25 -0.04 1.46 1.29 1k7iA1 LYS 96 HD2 0.08 0.02 0.04 -0.04 1.69 1.79 1k7iA1 LYS 96 HD3 0.10 0.07 0.09 -0.04 1.68 1.89 1k7iA1 LYS 96 HE2 0.01 -0.04 0.01 -0.04 2.99 2.93 1k7iA1 LYS 96 HE3 0.02 -0.02 -0.01 -0.04 2.99 2.94 1k7iA1 PHE 97 H 0.30 0.19 0.14 -0.55 8.34 8.42 1k7iA1 PHE 97 HA -0.01 0.03 0.43 -0.75 4.62 4.31 1k7iA1 PHE 97 HB2 0.03 0.02 0.11 -0.04 3.15 3.27 1k7iA1 PHE 97 HB3 -0.20 0.04 -0.10 -0.04 3.06 2.76 1k7iA1 PHE 97 HD2 -0.11 -0.02 -0.24 -0.04 7.28 6.87 1k7iA1 PHE 97 HE2 -0.35 0.05 -0.18 -0.04 7.38 6.87 1k7iA1 PHE 97 HZ -0.98 0.04 -0.08 -0.04 7.32 6.26 1k7iA1 ASN 98 H -0.06 0.08 0.20 -0.55 8.53 8.21 1k7iA1 ASN 98 HA -0.00 0.24 0.70 -0.75 4.76 4.94 1k7iA1 ASN 98 HB2 0.01 -0.07 0.22 -0.04 2.88 3.00 1k7iA1 ASN 98 HB3 0.09 0.14 0.14 -0.04 2.79 3.12 1k7iA1 ASN 98 HD21 -0.05 0.35 0.22 -0.04 7.03 7.51 1k7iA1 ASN 98 HD22 0.17 0.04 0.11 -0.04 7.74 8.02 1k7iA1 ALA 99 H -0.03 0.20 0.18 -0.55 8.40 8.20 1k7iA1 ALA 99 HA -0.10 0.13 0.38 -0.75 4.34 4.00 1k7iA1 ALA 99 HB3 -0.04 0.03 0.11 -0.04 1.41 1.48 1k7iA1 GLU 100 H -0.06 0.13 -0.08 -0.55 8.60 8.04 1k7iA1 GLU 100 HA -0.05 0.10 0.48 -0.75 4.29 4.07 1k7iA1 GLU 100 HB2 -0.05 0.03 0.12 -0.04 2.09 2.14 1k7iA1 GLU 100 HB3 -0.07 0.12 0.12 -0.04 1.99 2.12 1k7iA1 GLU 100 HG2 -0.08 -0.01 -0.19 -0.04 2.34 2.02 1k7iA1 GLU 100 HG3 -0.06 0.03 0.04 -0.04 2.34 2.32 1k7iA1 GLN 101 H -0.12 0.09 -0.22 -0.55 8.47 7.67 1k7iA1 GLN 101 HA 0.03 0.07 0.39 -0.75 4.36 4.10 1k7iA1 GLN 101 HB2 -0.42 0.04 0.12 -0.04 2.15 1.85 1k7iA1 GLN 101 HB3 -1.21 0.03 -0.01 -0.04 2.02 0.78 1k7iA1 GLN 101 HG2 -0.19 0.21 0.09 -0.04 2.40 2.46 1k7iA1 GLN 101 HG3 -0.18 -0.04 0.12 -0.04 2.39 2.25 1k7iA1 GLN 101 HE21 -0.12 -0.05 -0.13 -0.04 6.97 6.63 1k7iA1 GLN 101 HE22 -0.20 0.25 -0.01 -0.04 7.69 7.68 1k7iA1 ILE 102 H -0.16 0.44 -0.27 -0.55 8.25 7.70 1k7iA1 ILE 102 HA -0.45 0.04 0.38 -0.75 4.18 3.39 1k7iA1 ILE 102 HB -0.27 0.09 0.12 -0.04 1.89 1.79 1k7iA1 ILE 102 HG12 -1.81 -0.04 -0.03 -0.04 1.49 -0.44 1k7iA1 ILE 102 HG13 -0.33 0.06 -0.12 -0.04 1.21 0.78 1k7iA1 ILE 102 HG23 -0.46 -0.00 -0.14 -0.04 0.93 0.29 1k7iA1 ILE 102 HD13 -0.29 -0.00 -0.12 -0.04 0.88 0.43 1k7iA1 GLU 103 H -0.09 0.46 -0.11 -0.55 8.60 8.32 1k7iA1 GLU 103 HA -0.02 0.05 0.38 -0.75 4.29 3.95 1k7iA1 GLU 103 HB2 -0.04 0.11 0.19 -0.04 2.09 2.30 1k7iA1 GLU 103 HB3 -0.02 0.01 0.02 -0.04 1.99 1.96 1k7iA1 GLU 103 HG2 -0.02 0.00 0.04 -0.04 2.34 2.32 1k7iA1 GLU 103 HG3 -0.02 -0.01 0.01 -0.04 2.34 2.28 1k7iA1 GLN 104 H 0.01 0.57 -0.13 -0.55 8.47 8.38 1k7iA1 GLN 104 HA 0.03 0.03 0.43 -0.75 4.36 4.09 1k7iA1 GLN 104 HB2 0.13 0.08 0.06 -0.04 2.15 2.38 1k7iA1 GLN 104 HB3 0.01 -0.01 -0.05 -0.04 2.02 1.93 1k7iA1 GLN 104 HG2 -0.03 0.08 0.00 -0.04 2.40 2.42 1k7iA1 GLN 104 HG3 -0.10 -0.16 -0.37 -0.04 2.39 1.72 1k7iA1 GLN 104 HE21 -0.01 0.03 -0.02 -0.04 6.97 6.92 1k7iA1 GLN 104 HE22 -0.02 -0.03 -0.06 -0.04 7.69 7.54 1k7iA1 ALA 105 H 0.07 0.62 -0.20 -0.55 8.40 8.34 1k7iA1 ALA 105 HA 0.03 0.01 0.41 -0.75 4.34 4.04 1k7iA1 ALA 105 HB3 -0.53 0.02 0.06 -0.04 1.41 0.92 1k7iA1 LYS 106 H -0.02 0.53 -0.21 -0.55 8.42 8.17 1k7iA1 LYS 106 HA -0.19 0.01 0.41 -0.75 4.32 3.79 1k7iA1 LYS 106 HB2 0.02 0.17 0.18 -0.04 1.87 2.20 1k7iA1 LYS 106 HB3 0.03 -0.04 0.01 -0.04 1.79 1.75 1k7iA1 LYS 106 HG2 0.16 -0.05 0.01 -0.04 1.46 1.54 1k7iA1 LYS 106 HG3 0.17 0.11 0.05 -0.04 1.46 1.75 1k7iA1 LYS 106 HD2 0.06 -0.01 -0.06 -0.04 1.69 1.63 1k7iA1 LYS 106 HD3 0.11 -0.01 -0.01 -0.04 1.68 1.73 1k7iA1 LYS 106 HE2 0.32 -0.01 -0.03 -0.04 2.99 3.23 1k7iA1 LYS 106 HE3 0.23 -0.02 -0.06 -0.04 2.99 3.09 1k7iA1 LEU 107 H 0.02 0.41 -0.23 -0.55 8.37 8.03 1k7iA1 LEU 107 HA 0.05 0.03 0.50 -0.75 4.35 4.18 1k7iA1 LEU 107 HB2 0.04 0.14 0.17 -0.04 1.64 1.95 1k7iA1 LEU 107 HB3 0.08 -0.08 0.06 -0.04 1.64 1.66 1k7iA1 LEU 107 HG 0.02 0.24 0.07 -0.04 1.64 1.93 1k7iA1 LEU 107 HD13 0.02 -0.04 -0.01 -0.04 0.93 0.86 1k7iA1 LEU 107 HD23 0.03 -0.02 0.02 -0.04 0.89 0.88 1k7iA1 SER 108 H 0.05 0.48 -0.17 -0.55 8.46 8.28 1k7iA1 SER 108 HA -0.03 0.05 0.46 -0.75 4.49 4.22 1k7iA1 SER 108 HB2 0.13 0.11 0.12 -0.04 3.95 4.26 1k7iA1 SER 108 HB3 0.18 -0.03 -0.14 -0.04 3.93 3.90 1k7iA1 LEU 109 H -0.06 0.58 -0.13 -0.55 8.37 8.22 1k7iA1 LEU 109 HA -0.04 0.03 0.36 -0.75 4.35 3.94 1k7iA1 LEU 109 HB2 -0.31 0.12 0.16 -0.04 1.64 1.57 1k7iA1 LEU 109 HB3 -0.66 -0.05 -0.04 -0.04 1.64 0.85 1k7iA1 LEU 109 HG -0.32 0.12 -0.00 -0.04 1.64 1.40 1k7iA1 LEU 109 HD13 -1.24 -0.03 -0.13 -0.04 0.93 -0.51 1k7iA1 LEU 109 HD23 -1.03 -0.01 -0.07 -0.04 0.89 -0.25 1k7iA1 GLN 110 H 0.04 0.53 -0.23 -0.55 8.47 8.27 1k7iA1 GLN 110 HA 0.19 -0.00 0.39 -0.75 4.36 4.19 1k7iA1 GLN 110 HB2 0.09 0.02 0.14 -0.04 2.15 2.36 1k7iA1 GLN 110 HB3 0.10 0.12 0.19 -0.04 2.02 2.39 1k7iA1 GLN 110 HG2 0.14 -0.01 -0.17 -0.04 2.40 2.32 1k7iA1 GLN 110 HG3 0.13 -0.03 0.05 -0.04 2.39 2.50 1k7iA1 GLN 110 HE21 0.04 -0.00 0.05 -0.04 6.97 7.02 1k7iA1 GLN 110 HE22 0.08 -0.00 0.05 -0.04 7.69 7.78 1k7iA1 SER 111 H 0.05 0.47 -0.26 -0.55 8.46 8.17 1k7iA1 SER 111 HA 0.14 0.01 0.47 -0.75 4.49 4.35 1k7iA1 SER 111 HB2 -0.48 -0.09 0.16 -0.04 3.95 3.50 1k7iA1 SER 111 HB3 -0.12 -0.00 0.15 -0.04 3.93 3.92 1k7iA1 TRP 112 H 0.23 0.41 -0.36 -0.55 7.97 7.71 1k7iA1 TRP 112 HA 0.06 0.05 0.68 -0.75 4.62 4.65 1k7iA1 TRP 112 HB2 0.19 0.15 0.15 -0.04 3.23 3.68 1k7iA1 TRP 112 HB3 0.15 -0.02 -0.05 -0.04 3.23 3.27 1k7iA1 TRP 112 HD1 0.00 0.03 -0.13 -0.04 7.22 7.08 1k7iA1 TRP 112 HE1 0.03 0.19 0.04 -0.04 10.20 10.42 1k7iA1 TRP 112 HE3 0.05 0.00 0.01 -0.04 7.59 7.60 1k7iA1 TRP 112 HZ2 -0.00 0.06 -0.12 -0.04 7.44 7.34 1k7iA1 TRP 112 HZ3 0.04 0.03 -0.11 -0.04 7.13 7.06 1k7iA1 TRP 112 HH2 0.03 -0.12 -0.05 -0.04 7.19 7.00 1k7iA1 SER 113 H 0.42 0.51 0.07 -0.55 8.46 8.91 1k7iA1 SER 113 HA 0.10 0.09 0.47 -0.75 4.49 4.40 1k7iA1 SER 113 HB2 0.05 0.19 0.16 -0.04 3.95 4.31 1k7iA1 SER 113 HB3 0.18 -0.09 -0.01 -0.04 3.93 3.96 1k7iA1 ASP 114 H 0.20 0.28 -0.49 -0.55 8.40 7.84 1k7iA1 ASP 114 HA 0.20 -0.01 0.44 -0.75 4.63 4.51 1k7iA1 ASP 114 HB2 0.22 0.10 0.10 -0.04 2.71 3.09 1k7iA1 ASP 114 HB3 0.33 -0.05 -0.08 -0.04 2.70 2.86 1k7iA1 VAL 115 H 0.10 0.26 -0.29 -0.55 8.24 7.77 1k7iA1 VAL 115 HA -0.56 0.18 0.89 -0.75 4.13 3.89 1k7iA1 VAL 115 HB -0.54 -0.09 0.05 -0.04 2.12 1.51 1k7iA1 VAL 115 HG13 0.13 0.01 -0.04 -0.04 0.97 1.03 1k7iA1 VAL 115 HG23 0.05 0.03 -0.04 -0.04 0.95 0.96 1k7iA1 ALA 116 H 0.04 0.41 0.05 -0.55 8.40 8.36 1k7iA1 ALA 116 HA -0.06 0.26 0.93 -0.75 4.34 4.72 1k7iA1 ALA 116 HB3 0.09 -0.02 -0.17 -0.04 1.41 1.28 1k7iA1 ASN 117 H 0.05 0.62 -0.19 -0.55 8.53 8.46 1k7iA1 ASN 117 HA 0.02 0.04 0.42 -0.75 4.76 4.48 1k7iA1 ASN 117 HB2 0.05 0.05 -0.16 -0.04 2.88 2.79 1k7iA1 ASN 117 HB3 0.06 0.17 0.22 -0.04 2.79 3.20 1k7iA1 ASN 117 HD21 0.04 -0.07 -0.00 -0.04 7.03 6.95 1k7iA1 ASN 117 HD22 0.05 0.06 0.01 -0.04 7.74 7.82 1k7iA1 LEU 118 H -0.08 0.64 0.28 -0.55 8.37 8.67 1k7iA1 LEU 118 HA -0.28 0.30 0.98 -0.75 4.35 4.60 1k7iA1 LEU 118 HB2 -0.29 -0.02 -0.07 -0.04 1.64 1.22 1k7iA1 LEU 118 HB3 -0.81 -0.03 -0.06 -0.04 1.64 0.70 1k7iA1 LEU 118 HG -0.27 -0.06 -0.55 -0.04 1.64 0.72 1k7iA1 LEU 118 HD13 -0.17 0.00 -0.19 -0.04 0.93 0.53 1k7iA1 LEU 118 HD23 -1.05 0.02 -0.02 -0.04 0.89 -0.20 1k7iA1 THR 119 H -0.37 0.45 0.40 -0.55 8.28 8.21 1k7iA1 THR 119 HA -0.15 0.17 0.90 -0.75 4.39 4.56 1k7iA1 THR 119 HB -0.04 -0.00 0.05 -0.04 4.32 4.29 1k7iA1 THR 119 HG23 -0.05 0.02 -0.15 -0.04 1.22 0.99 1k7iA1 PHE 120 H 0.09 0.21 0.14 -0.55 8.34 8.23 1k7iA1 PHE 120 HA 0.07 0.37 0.99 -0.75 4.62 5.30 1k7iA1 PHE 120 HB2 0.07 -0.03 0.05 -0.04 3.15 3.20 1k7iA1 PHE 120 HB3 0.19 -0.03 -0.12 -0.04 3.06 3.07 1k7iA1 PHE 120 HD2 0.01 0.00 -0.17 -0.04 7.28 7.07 1k7iA1 PHE 120 HE2 -0.02 0.05 -0.07 -0.04 7.38 7.30 1k7iA1 PHE 120 HZ -0.09 0.03 -0.11 -0.04 7.32 7.11 1k7iA1 THR 121 H 0.21 0.60 0.38 -0.55 8.28 8.92 1k7iA1 THR 121 HA 0.10 0.13 1.00 -0.75 4.39 4.86 1k7iA1 THR 121 HB -0.03 -0.00 0.08 -0.04 4.32 4.32 1k7iA1 THR 121 HG23 -0.05 0.03 -0.06 -0.04 1.22 1.10 1k7iA1 GLU 122 H -0.22 0.12 0.16 -0.55 8.60 8.11 1k7iA1 GLU 122 HA -1.30 0.23 0.73 -0.75 4.29 3.19 1k7iA1 GLU 122 HB2 -0.78 -0.03 0.09 -0.04 2.09 1.33 1k7iA1 GLU 122 HB3 -0.25 -0.04 0.10 -0.04 1.99 1.76 1k7iA1 GLU 122 HG2 -0.26 0.07 -0.14 -0.04 2.34 1.98 1k7iA1 GLU 122 HG3 -0.65 0.05 0.09 -0.04 2.34 1.78 1k7iA1 VAL 123 H -0.40 0.62 0.46 -0.55 8.24 8.37 1k7iA1 VAL 123 HA -0.14 0.12 0.88 -0.75 4.13 4.24 1k7iA1 VAL 123 HB -0.10 -0.02 0.05 -0.04 2.12 2.00 1k7iA1 VAL 123 HG13 -0.14 0.02 -0.14 -0.04 0.97 0.67 1k7iA1 VAL 123 HG23 -0.16 0.07 -0.25 -0.04 0.95 0.57 1k7iA1 THR 124 H -0.07 0.16 0.16 -0.55 8.28 7.99 1k7iA1 THR 124 HA -0.04 0.23 0.83 -0.75 4.39 4.66 1k7iA1 THR 124 HB -0.00 -0.10 0.19 -0.04 4.32 4.36 1k7iA1 THR 124 HG23 -0.02 0.01 -0.21 -0.04 1.22 0.96 1k7iA1 GLY 125 H -0.00 0.11 0.16 -0.55 8.43 8.15 1k7iA1 GLY 125 HA2 -0.01 0.03 0.36 -0.51 4.01 3.88 1k7iA1 GLY 125 HA3 -0.02 0.01 0.50 -0.51 4.01 4.00 1k7iA1 ASN 126 H -0.02 0.10 0.19 -0.55 8.53 8.25 1k7iA1 ASN 126 HA -0.02 0.16 0.58 -0.75 4.76 4.72 1k7iA1 ASN 126 HB2 -0.02 -0.01 0.06 -0.04 2.88 2.88 1k7iA1 ASN 126 HB3 -0.02 0.02 0.11 -0.04 2.79 2.86 1k7iA1 ASN 126 HD21 -0.01 -0.01 -0.02 -0.04 7.03 6.95 1k7iA1 ASN 126 HD22 -0.01 0.02 0.01 -0.04 7.74 7.72 1k7iA1 LYS 127 H -0.04 0.16 -0.20 -0.55 8.42 7.79 1k7iA1 LYS 127 HA -0.04 -0.03 0.41 -0.75 4.32 3.90 1k7iA1 LYS 127 HB2 -0.06 0.07 0.03 -0.04 1.87 1.87 1k7iA1 LYS 127 HB3 -0.06 0.11 0.01 -0.04 1.79 1.81 1k7iA1 LYS 127 HG2 -0.04 -0.02 0.05 -0.04 1.46 1.42 1k7iA1 LYS 127 HG3 -0.04 -0.07 0.11 -0.04 1.46 1.42 1k7iA1 LYS 127 HD2 -0.05 -0.06 0.09 -0.04 1.69 1.62 1k7iA1 LYS 127 HD3 -0.05 0.05 0.04 -0.04 1.68 1.67 1k7iA1 LYS 127 HE2 -0.03 0.00 0.02 -0.04 2.99 2.94 1k7iA1 LYS 127 HE3 -0.03 -0.04 0.03 -0.04 2.99 2.91 1k7iA1 SER 128 H -0.05 0.03 0.16 -0.55 8.46 8.05 1k7iA1 SER 128 HA -0.05 0.11 0.49 -0.75 4.49 4.28 1k7iA1 SER 128 HB2 -0.05 0.05 0.06 -0.04 3.95 3.97 1k7iA1 SER 128 HB3 -0.04 0.00 0.09 -0.04 3.93 3.95 1k7iA1 ALA 129 H -0.08 0.26 0.08 -0.55 8.40 8.11 1k7iA1 ALA 129 HA -0.15 0.09 0.64 -0.75 4.34 4.17 1k7iA1 ALA 129 HB3 -0.13 0.02 -0.36 -0.04 1.41 0.89 1k7iA1 ASN 130 H -0.28 0.07 0.16 -0.55 8.53 7.94 1k7iA1 ASN 130 HA -0.56 0.08 0.51 -0.75 4.76 4.03 1k7iA1 ASN 130 HB2 -0.59 0.10 0.34 -0.04 2.88 2.69 1k7iA1 ASN 130 HB3 -1.94 0.07 0.12 -0.04 2.79 1.00 1k7iA1 ASN 130 HD21 -0.46 0.01 0.07 -0.04 7.03 6.61 1k7iA1 ASN 130 HD22 -1.47 0.07 0.10 -0.04 7.74 6.40 1k7iA1 ILE 131 H -0.18 0.43 0.24 -0.55 8.25 8.19 1k7iA1 ILE 131 HA -0.09 0.48 1.03 -0.75 4.18 4.84 1k7iA1 ILE 131 HB -0.12 -0.13 0.15 -0.04 1.89 1.75 1k7iA1 ILE 131 HG12 0.14 0.20 -0.02 -0.04 1.49 1.77 1k7iA1 ILE 131 HG13 -0.11 -0.13 -0.14 -0.04 1.21 0.79 1k7iA1 ILE 131 HG23 -0.50 0.02 -0.04 -0.04 0.93 0.36 1k7iA1 ILE 131 HD13 0.03 -0.02 -0.09 -0.04 0.88 0.76 1k7iA1 THR 132 H -0.35 0.43 0.24 -0.55 8.28 8.06 1k7iA1 THR 132 HA -0.29 0.18 1.17 -0.75 4.39 4.70 1k7iA1 THR 132 HB -0.25 -0.04 0.13 -0.04 4.32 4.12 1k7iA1 THR 132 HG23 -0.13 0.02 -0.26 -0.04 1.22 0.81 1k7iA1 PHE 133 H -0.23 0.48 0.48 -0.55 8.34 8.52 1k7iA1 PHE 133 HA -0.44 0.30 1.09 -0.75 4.62 4.81 1k7iA1 PHE 133 HB2 -0.75 -0.08 0.14 -0.04 3.15 2.42 1k7iA1 PHE 133 HB3 -1.76 -0.02 0.02 -0.04 3.06 1.25 1k7iA1 PHE 133 HD2 -0.47 0.01 -0.12 -0.04 7.28 6.66 1k7iA1 PHE 133 HE2 -0.31 -0.00 -0.12 -0.04 7.38 6.91 1k7iA1 PHE 133 HZ -0.33 0.03 -0.11 -0.04 7.32 6.88 1k7iA1 GLY 134 H -0.10 0.48 0.36 -0.55 8.43 8.62 1k7iA1 GLY 134 HA2 0.19 0.05 0.62 -0.51 4.01 4.36 1k7iA1 GLY 134 HA3 0.27 0.03 0.34 -0.51 4.01 4.14 1k7iA1 ASN 135 H 0.05 0.52 0.31 -0.55 8.53 8.86 1k7iA1 ASN 135 HA 0.45 0.12 1.17 -0.75 4.76 5.74 1k7iA1 ASN 135 HB2 -0.15 0.12 0.14 -0.04 2.88 2.95 1k7iA1 ASN 135 HB3 0.16 -0.04 0.19 -0.04 2.79 3.05 1k7iA1 ASN 135 HD21 0.06 -0.17 -0.18 -0.04 7.03 6.70 1k7iA1 ASN 135 HD22 -0.16 0.28 -0.42 -0.04 7.74 7.41 1k7iA1 TYR 136 H -0.05 0.58 0.40 -0.55 8.29 8.67 1k7iA1 TYR 136 HA 0.17 0.19 0.53 -0.75 4.56 4.71 1k7iA1 TYR 136 HB2 0.15 0.11 -0.01 -0.04 3.06 3.26 1k7iA1 TYR 136 HB3 0.22 -0.01 -0.24 -0.04 2.98 2.90 1k7iA1 TYR 136 HD2 0.21 0.00 -0.29 -0.04 7.15 7.04 1k7iA1 TYR 136 HE2 0.06 0.01 -0.42 -0.04 6.85 6.46 1k7iA1 THR 137 H 0.26 0.39 0.32 -0.55 8.28 8.70 1k7iA1 THR 137 HA 0.06 0.09 0.96 -0.75 4.39 4.75 1k7iA1 THR 137 HB 0.11 -0.06 0.10 -0.04 4.32 4.42 1k7iA1 THR 137 HG23 0.11 -0.02 -0.21 -0.04 1.22 1.06 1k7iA1 ARG 138 H 0.25 0.44 0.25 -0.55 8.46 8.84 1k7iA1 ARG 138 HA 0.13 0.15 0.84 -0.75 4.34 4.71 1k7iA1 ARG 138 HB2 0.10 -0.08 -0.28 -0.04 1.90 1.60 1k7iA1 ARG 138 HB3 0.08 0.02 -0.35 -0.04 1.80 1.52 1k7iA1 ARG 138 HG2 0.10 0.07 -0.41 -0.04 1.67 1.38 1k7iA1 ARG 138 HG3 0.11 -0.12 -0.52 -0.04 1.67 1.09 1k7iA1 ARG 138 HD2 0.07 -0.00 -0.14 -0.04 3.22 3.11 1k7iA1 ARG 138 HD3 0.07 -0.04 -0.17 -0.04 3.22 3.04 1k7iA1 ASP 139 H 0.07 0.49 0.14 -0.55 8.40 8.55 1k7iA1 ASP 139 HA 0.03 0.17 0.74 -0.75 4.63 4.82 1k7iA1 ASP 139 HB2 -0.00 -0.05 0.16 -0.04 2.71 2.78 1k7iA1 ASP 139 HB3 0.03 0.06 0.04 -0.04 2.70 2.79 1k7iA1 ALA 140 H -0.02 0.17 0.06 -0.55 8.40 8.06 1k7iA1 ALA 140 HA -0.01 0.30 0.42 -0.75 4.34 4.28 1k7iA1 ALA 140 HB3 -0.03 0.01 0.06 -0.04 1.41 1.41 1k7iA1 SER 141 H 0.00 -0.03 -0.31 -0.55 8.46 7.57 1k7iA1 SER 141 HA 0.00 0.21 0.56 -0.75 4.49 4.51 1k7iA1 SER 141 HB2 0.01 -0.10 -0.01 -0.04 3.95 3.81 1k7iA1 SER 141 HB3 0.01 0.06 0.08 -0.04 3.93 4.04 1k7iA1 GLY 142 H 0.02 0.43 -0.50 -0.55 8.43 7.84 1k7iA1 GLY 142 HA2 0.04 0.02 0.19 -0.51 4.01 3.76 1k7iA1 GLY 142 HA3 0.03 0.15 0.50 -0.51 4.01 4.18 1k7iA1 ASN 143 H 0.03 -0.07 -0.20 -0.55 8.53 7.75 1k7iA1 ASN 143 HA 0.04 0.21 0.79 -0.75 4.76 5.05 1k7iA1 ASN 143 HB2 0.02 -0.09 -0.00 -0.04 2.88 2.77 1k7iA1 ASN 143 HB3 0.03 0.07 0.03 -0.04 2.79 2.88 1k7iA1 ASN 143 HD21 0.01 0.07 -0.07 -0.04 7.03 7.01 1k7iA1 ASN 143 HD22 0.01 -0.06 -0.05 -0.04 7.74 7.59 1k7iA1 LEU 144 H 0.07 0.14 0.15 -0.55 8.37 8.18 1k7iA1 LEU 144 HA 0.10 0.16 0.46 -0.75 4.35 4.31 1k7iA1 LEU 144 HB2 0.09 0.02 0.14 -0.04 1.64 1.85 1k7iA1 LEU 144 HB3 0.14 -0.04 0.09 -0.04 1.64 1.78 1k7iA1 LEU 144 HG 0.17 -0.01 -0.20 -0.04 1.64 1.56 1k7iA1 LEU 144 HD13 0.10 0.04 0.03 -0.04 0.93 1.06 1k7iA1 LEU 144 HD23 0.14 -0.00 -0.03 -0.04 0.89 0.96 1k7iA1 ASP 145 H 0.12 0.70 0.28 -0.55 8.40 8.95 1k7iA1 ASP 145 HA -0.03 0.11 0.90 -0.75 4.63 4.86 1k7iA1 ASP 145 HB2 0.11 -0.00 -0.13 -0.04 2.71 2.64 1k7iA1 ASP 145 HB3 0.21 0.05 -0.15 -0.04 2.70 2.77 1k7iA1 TYR 146 H -0.33 0.20 0.05 -0.55 8.29 7.66 1k7iA1 TYR 146 HA 0.04 0.22 0.85 -0.75 4.56 4.91 1k7iA1 TYR 146 HB2 0.02 0.07 0.15 -0.04 3.06 3.26 1k7iA1 TYR 146 HB3 0.03 -0.00 -0.05 -0.04 2.98 2.91 1k7iA1 TYR 146 HD2 0.02 0.01 -0.14 -0.04 7.15 7.00 1k7iA1 TYR 146 HE2 0.02 0.01 -0.04 -0.04 6.85 6.80 1k7iA1 GLY 147 H -0.12 -0.07 -0.07 -0.55 8.43 7.63 1k7iA1 GLY 147 HA2 0.04 0.21 0.75 -0.51 4.01 4.51 1k7iA1 GLY 147 HA3 -0.10 -0.01 0.27 -0.51 4.01 3.66 1k7iA1 THR 148 H 0.09 -0.05 -0.06 -0.55 8.28 7.71 1k7iA1 THR 148 HA 0.11 0.15 0.49 -0.75 4.39 4.38 1k7iA1 THR 148 HB 0.26 -0.05 0.02 -0.04 4.32 4.51 1k7iA1 THR 148 HG23 0.10 0.00 -0.05 -0.04 1.22 1.23 1k7iA1 GLN 149 H 0.20 0.08 0.12 -0.55 8.47 8.32 1k7iA1 GLN 149 HA 0.14 0.19 0.97 -0.75 4.36 4.92 1k7iA1 GLN 149 HB2 0.13 0.05 -0.02 -0.04 2.15 2.26 1k7iA1 GLN 149 HB3 0.13 -0.02 0.21 -0.04 2.02 2.31 1k7iA1 GLN 149 HG2 0.16 0.03 -0.03 -0.04 2.40 2.52 1k7iA1 GLN 149 HG3 0.15 0.04 -0.25 -0.04 2.39 2.29 1k7iA1 GLN 149 HE21 0.07 -0.11 -0.17 -0.04 6.97 6.71 1k7iA1 GLN 149 HE22 -0.09 0.06 -0.10 -0.04 7.69 7.52 1k7iA1 ALA 150 H 0.24 0.25 0.27 -0.55 8.40 8.61 1k7iA1 ALA 150 HA 0.16 0.10 0.57 -0.75 4.34 4.42 1k7iA1 ALA 150 HB3 0.09 0.05 0.05 -0.04 1.41 1.56 1k7iA1 TYR 151 H -0.32 0.67 0.43 -0.55 8.29 8.52 1k7iA1 TYR 151 HA 0.12 0.10 0.56 -0.75 4.56 4.59 1k7iA1 TYR 151 HB2 -0.10 0.07 0.14 -0.04 3.06 3.13 1k7iA1 TYR 151 HB3 0.05 0.08 0.03 -0.04 2.98 3.10 1k7iA1 TYR 151 HD2 0.07 0.04 -0.35 -0.04 7.15 6.88 1k7iA1 TYR 151 HE2 -0.36 -0.04 -0.19 -0.04 6.85 6.22 1k7iA1 ALA 152 H -0.01 0.30 0.27 -0.55 8.40 8.40 1k7iA1 ALA 152 HA 0.19 0.21 0.83 -0.75 4.34 4.81 1k7iA1 ALA 152 HB3 0.06 0.01 -0.02 -0.04 1.41 1.42 1k7iA1 TYR 153 H 0.26 0.55 0.21 -0.55 8.29 8.76 1k7iA1 TYR 153 HA -0.14 0.11 1.00 -0.75 4.56 4.79 1k7iA1 TYR 153 HB2 0.14 0.08 0.21 -0.04 3.06 3.45 1k7iA1 TYR 153 HB3 0.26 0.04 -0.03 -0.04 2.98 3.20 1k7iA1 TYR 153 HD2 0.24 0.11 -0.06 -0.04 7.15 7.40 1k7iA1 TYR 153 HE2 0.18 -0.05 -0.15 -0.04 6.85 6.79 1k7iA1 TYR 154 H -0.12 0.05 0.11 -0.55 8.29 7.77 1k7iA1 TYR 154 HA -0.07 0.34 0.35 -0.75 4.56 4.43 1k7iA1 TYR 154 HB2 0.03 -0.10 0.05 -0.04 3.06 3.00 1k7iA1 TYR 154 HB3 -0.11 0.13 0.06 -0.04 2.98 3.02 1k7iA1 TYR 154 HD2 -0.07 0.14 0.03 -0.04 7.15 7.22 1k7iA1 TYR 154 HE2 -0.06 0.12 -0.04 -0.04 6.85 6.82 1k7iA1 PRO 155 HA -1.43 0.08 0.39 -0.51 4.44 2.98 1k7iA1 PRO 155 HB2 -0.81 0.04 -0.34 -0.04 2.28 1.13 1k7iA1 PRO 155 HB3 -2.80 -0.02 -0.10 -0.04 2.02 -0.94 1k7iA1 PRO 155 HG2 -0.57 0.04 -0.43 -0.04 2.03 1.04 1k7iA1 PRO 155 HG3 -0.89 0.41 -0.13 -0.04 2.03 1.38 1k7iA1 PRO 155 HD2 -0.24 0.07 -0.02 -0.04 3.68 3.44 1k7iA1 PRO 155 HD3 -0.07 0.26 0.03 -0.04 3.65 3.84 1k7iA1 GLY 156 H -0.79 0.33 0.22 -0.55 8.43 7.65 1k7iA1 GLY 156 HA2 -0.13 0.05 0.30 -0.51 4.01 3.72 1k7iA1 GLY 156 HA3 -0.05 0.06 0.49 -0.51 4.01 4.00 1k7iA1 ASN 157 H 0.05 0.13 0.15 -0.55 8.53 8.31 1k7iA1 ASN 157 HA 0.01 0.25 0.84 -0.75 4.76 5.11 1k7iA1 ASN 157 HB2 0.05 -0.02 0.07 -0.04 2.88 2.93 1k7iA1 ASN 157 HB3 0.03 -0.00 0.15 -0.04 2.79 2.93 1k7iA1 ASN 157 HD21 0.02 0.04 -0.03 -0.04 7.03 7.03 1k7iA1 ASN 157 HD22 0.03 -0.02 0.02 -0.04 7.74 7.72 1k7iA1 TYR 158 H -0.05 0.02 -0.14 -0.55 8.29 7.57 1k7iA1 TYR 158 HA -0.00 0.11 0.57 -0.75 4.56 4.49 1k7iA1 TYR 158 HB2 -0.02 0.01 0.06 -0.04 3.06 3.07 1k7iA1 TYR 158 HB3 -0.01 -0.02 0.05 -0.04 2.98 2.96 1k7iA1 TYR 158 HD2 -0.03 0.06 -0.20 -0.04 7.15 6.94 1k7iA1 TYR 158 HE2 -0.01 0.10 -0.26 -0.04 6.85 6.64 1k7iA1 GLN 159 H 0.13 0.10 0.13 -0.55 8.47 8.28 1k7iA1 GLN 159 HA -0.01 0.07 0.45 -0.75 4.36 4.11 1k7iA1 GLN 159 HB2 0.03 0.01 0.14 -0.04 2.15 2.29 1k7iA1 GLN 159 HB3 0.04 -0.00 0.15 -0.04 2.02 2.16 1k7iA1 GLN 159 HG2 -0.01 -0.01 -0.02 -0.04 2.40 2.32 1k7iA1 GLN 159 HG3 -0.01 0.02 -0.17 -0.04 2.39 2.20 1k7iA1 GLN 159 HE21 -0.01 0.01 0.00 -0.04 6.97 6.93 1k7iA1 GLN 159 HE22 -0.01 -0.01 -0.01 -0.04 7.69 7.62 1k7iA1 GLY 160 H -0.05 0.20 0.20 -0.55 8.43 8.24 1k7iA1 GLY 160 HA2 0.01 -0.03 0.32 -0.51 4.01 3.80 1k7iA1 GLY 160 HA3 -0.14 0.11 0.70 -0.51 4.01 4.18 1k7iA1 ALA 161 H -0.41 0.37 -0.21 -0.55 8.40 7.61 1k7iA1 ALA 161 HA -0.24 0.04 0.30 -0.75 4.34 3.69 1k7iA1 ALA 161 HB3 -0.90 -0.02 -0.03 -0.04 1.41 0.42 1k7iA1 GLY 162 H 0.11 0.40 0.01 -0.55 8.43 8.40 1k7iA1 GLY 162 HA2 0.25 0.07 0.47 -0.51 4.01 4.28 1k7iA1 GLY 162 HA3 0.48 0.38 0.71 -0.51 4.01 5.07 1k7iA1 SER 163 H 0.13 0.46 -0.26 -0.55 8.46 8.24 1k7iA1 SER 163 HA -0.25 -0.06 0.72 -0.75 4.49 4.14 1k7iA1 SER 163 HB2 -0.12 -0.08 0.01 -0.04 3.95 3.72 1k7iA1 SER 163 HB3 0.09 0.00 0.02 -0.04 3.93 4.00 1k7iA1 SER 164 H -0.72 0.56 0.38 -0.55 8.46 8.13 1k7iA1 SER 164 HA -0.23 0.17 1.14 -0.75 4.49 4.81 1k7iA1 SER 164 HB2 -0.26 -0.06 0.07 -0.04 3.95 3.66 1k7iA1 SER 164 HB3 -0.24 0.07 -0.05 -0.04 3.93 3.66 1k7iA1 TRP 165 H -0.41 0.75 0.43 -0.55 7.97 8.20 1k7iA1 TRP 165 HA 0.02 0.40 1.08 -0.75 4.62 5.36 1k7iA1 TRP 165 HB2 -1.16 -0.06 -0.03 -0.04 3.23 1.94 1k7iA1 TRP 165 HB3 -0.01 -0.05 -0.12 -0.04 3.23 3.02 1k7iA1 TRP 165 HD1 0.19 0.08 -0.27 -0.04 7.22 7.18 1k7iA1 TRP 165 HE1 0.16 0.10 -0.20 -0.04 10.20 10.21 1k7iA1 TRP 165 HE3 0.30 0.02 -0.34 -0.04 7.59 7.53 1k7iA1 TRP 165 HZ2 -0.00 0.04 -0.04 -0.04 7.44 7.40 1k7iA1 TRP 165 HZ3 0.41 -0.02 -0.18 -0.04 7.13 7.30 1k7iA1 TRP 165 HH2 0.01 0.00 -0.10 -0.04 7.19 7.06 1k7iA1 TYR 166 H 0.54 0.45 0.45 -0.55 8.29 9.18 1k7iA1 TYR 166 HA 0.23 0.21 1.13 -0.75 4.56 5.38 1k7iA1 TYR 166 HB2 0.29 -0.03 -0.00 -0.04 3.06 3.27 1k7iA1 TYR 166 HB3 0.22 0.03 0.04 -0.04 2.98 3.23 1k7iA1 TYR 166 HD2 0.39 0.09 -0.06 -0.04 7.15 7.53 1k7iA1 TYR 166 HE2 0.25 0.04 -0.17 -0.04 6.85 6.93 1k7iA1 ASN 167 H 0.07 0.75 0.28 -0.55 8.53 9.08 1k7iA1 ASN 167 HA -0.88 0.17 0.68 -0.75 4.76 3.97 1k7iA1 ASN 167 HB2 -0.07 -0.07 -0.18 -0.04 2.88 2.52 1k7iA1 ASN 167 HB3 -0.01 0.03 0.21 -0.04 2.79 2.98 1k7iA1 ASN 167 HD21 0.10 0.28 -0.26 -0.04 7.03 7.11 1k7iA1 ASN 167 HD22 0.13 -0.00 -0.25 -0.04 7.74 7.58 1k7iA1 TYR 168 H -0.02 0.61 0.43 -0.55 8.29 8.76 1k7iA1 TYR 168 HA -0.04 0.04 0.32 -0.75 4.56 4.12 1k7iA1 TYR 168 HB2 -0.04 0.03 0.11 -0.04 3.06 3.11 1k7iA1 TYR 168 HB3 -0.03 0.02 -0.04 -0.04 2.98 2.89 1k7iA1 TYR 168 HD2 -0.04 0.00 -0.06 -0.04 7.15 7.01 1k7iA1 TYR 168 HE2 -0.07 -0.05 0.01 -0.04 6.85 6.69 1k7iA1 ASN 169 H 0.00 0.11 -0.38 -0.55 8.53 7.72 1k7iA1 ASN 169 HA -0.01 0.13 0.61 -0.75 4.76 4.73 1k7iA1 ASN 169 HB2 0.08 0.11 0.12 -0.04 2.88 3.15 1k7iA1 ASN 169 HB3 0.09 -0.05 0.15 -0.04 2.79 2.94 1k7iA1 ASN 169 HD21 0.11 0.10 0.21 -0.04 7.03 7.41 1k7iA1 ASN 169 HD22 0.10 0.52 0.16 -0.04 7.74 8.48 1k7iA1 GLN 170 H -0.04 0.48 -0.30 -0.55 8.47 8.07 1k7iA1 GLN 170 HA -0.00 0.15 0.78 -0.75 4.36 4.53 1k7iA1 GLN 170 HB2 0.00 0.16 0.23 -0.04 2.15 2.50 1k7iA1 GLN 170 HB3 0.01 -0.20 0.05 -0.04 2.02 1.84 1k7iA1 GLN 170 HG2 0.05 -0.03 -0.07 -0.04 2.40 2.31 1k7iA1 GLN 170 HG3 0.07 0.02 0.13 -0.04 2.39 2.57 1k7iA1 GLN 170 HE21 0.07 -0.02 -0.08 -0.04 6.97 6.90 1k7iA1 GLN 170 HE22 0.09 0.39 -0.35 -0.04 7.69 7.78 1k7iA1 SER 171 H -0.05 0.24 0.15 -0.55 8.46 8.25 1k7iA1 SER 171 HA -0.14 0.13 0.38 -0.75 4.49 4.11 1k7iA1 SER 171 HB2 -0.08 0.01 0.06 -0.04 3.95 3.90 1k7iA1 SER 171 HB3 -0.07 0.09 0.12 -0.04 3.93 4.03 1k7iA1 ASN 172 H -0.04 0.12 -0.21 -0.55 8.53 7.85 1k7iA1 ASN 172 HA -0.09 0.09 0.31 -0.75 4.76 4.32 1k7iA1 ASN 172 HB2 -0.03 -0.11 -0.00 -0.04 2.88 2.70 1k7iA1 ASN 172 HB3 -0.01 0.02 0.04 -0.04 2.79 2.80 1k7iA1 ASN 172 HD21 0.10 0.10 -0.06 -0.04 7.03 7.13 1k7iA1 ASN 172 HD22 0.03 -0.03 -0.01 -0.04 7.74 7.69 1k7iA1 ILE 173 H -0.08 0.21 -0.45 -0.55 8.25 7.38 1k7iA1 ILE 173 HA -0.17 0.06 0.44 -0.75 4.18 3.76 1k7iA1 ILE 173 HB -0.04 0.26 0.10 -0.04 1.89 2.16 1k7iA1 ILE 173 HG12 0.04 -0.14 -0.01 -0.04 1.49 1.34 1k7iA1 ILE 173 HG13 0.13 0.06 0.08 -0.04 1.21 1.44 1k7iA1 ILE 173 HG23 0.10 -0.03 -0.34 -0.04 0.93 0.62 1k7iA1 ILE 173 HD13 0.17 -0.01 -0.06 -0.04 0.88 0.93 1k7iA1 ARG 174 H -0.21 0.34 -0.12 -0.55 8.46 7.92 1k7iA1 ARG 174 HA -0.26 0.03 0.52 -0.75 4.34 3.88 1k7iA1 ARG 174 HB2 -0.27 0.02 0.09 -0.04 1.90 1.71 1k7iA1 ARG 174 HB3 -0.35 -0.08 0.06 -0.04 1.80 1.40 1k7iA1 ARG 174 HG2 -1.49 -0.08 0.06 -0.04 1.67 0.12 1k7iA1 ARG 174 HG3 -0.50 0.19 0.01 -0.04 1.67 1.33 1k7iA1 ARG 174 HD2 -0.62 -0.10 0.03 -0.04 3.22 2.48 1k7iA1 ARG 174 HD3 -0.69 0.21 0.06 -0.04 3.22 2.76 1k7iA1 ASN 175 H -0.16 0.50 -0.27 -0.55 8.53 8.05 1k7iA1 ASN 175 HA -0.12 0.12 0.84 -0.75 4.76 4.85 1k7iA1 ASN 175 HB2 -0.09 0.01 0.16 -0.04 2.88 2.91 1k7iA1 ASN 175 HB3 -0.08 -0.08 0.13 -0.04 2.79 2.72 1k7iA1 ASN 175 HD21 -0.09 -0.00 -0.01 -0.04 7.03 6.88 1k7iA1 ASN 175 HD22 -0.08 -0.04 -0.01 -0.04 7.74 7.56 1k7iA1 PRO 176 HA -0.25 0.17 0.48 -0.51 4.44 4.34 1k7iA1 PRO 176 HB2 -0.51 -0.01 -0.14 -0.04 2.28 1.57 1k7iA1 PRO 176 HB3 -0.77 0.10 -0.05 -0.04 2.02 1.27 1k7iA1 PRO 176 HG2 -0.15 -0.00 -0.20 -0.04 2.03 1.63 1k7iA1 PRO 176 HG3 -0.19 0.06 -0.08 -0.04 2.03 1.77 1k7iA1 PRO 176 HD2 -0.15 0.11 -0.28 -0.04 3.68 3.32 1k7iA1 PRO 176 HD3 -0.22 0.43 -0.57 -0.04 3.65 3.25 1k7iA1 GLY 177 H -0.11 0.06 -0.46 -0.55 8.43 7.37 1k7iA1 GLY 177 HA2 -0.06 0.14 0.49 -0.51 4.01 4.07 1k7iA1 GLY 177 HA3 -0.06 0.01 0.22 -0.51 4.01 3.67 1k7iA1 SER 178 H -0.07 0.23 -0.16 -0.55 8.46 7.92 1k7iA1 SER 178 HA -0.02 0.24 0.90 -0.75 4.49 4.86 1k7iA1 SER 178 HB2 -0.02 0.00 0.07 -0.04 3.95 3.96 1k7iA1 SER 178 HB3 -0.03 -0.01 -0.04 -0.04 3.93 3.81 1k7iA1 GLU 179 H -0.07 0.44 0.04 -0.55 8.60 8.47 1k7iA1 GLU 179 HA 0.00 0.15 0.87 -0.75 4.29 4.56 1k7iA1 GLU 179 HB2 -0.08 0.07 0.16 -0.04 2.09 2.20 1k7iA1 GLU 179 HB3 -0.02 -0.09 0.06 -0.04 1.99 1.90 1k7iA1 GLU 179 HG2 -0.03 0.09 -0.16 -0.04 2.34 2.20 1k7iA1 GLU 179 HG3 -0.05 0.03 -0.09 -0.04 2.34 2.19 1k7iA1 GLU 180 H 0.07 0.28 0.03 -0.55 8.60 8.43 1k7iA1 GLU 180 HA 0.01 0.15 0.29 -0.75 4.29 3.99 1k7iA1 GLU 180 HB2 0.29 -0.01 0.13 -0.04 2.09 2.46 1k7iA1 GLU 180 HB3 0.23 0.07 0.08 -0.04 1.99 2.34 1k7iA1 GLU 180 HG2 0.09 0.09 0.03 -0.04 2.34 2.51 1k7iA1 GLU 180 HG3 0.10 0.04 0.03 -0.04 2.34 2.48 1k7iA1 TYR 181 H 0.04 0.11 -0.27 -0.55 8.29 7.61 1k7iA1 TYR 181 HA -0.51 0.06 0.38 -0.75 4.56 3.73 1k7iA1 TYR 181 HB2 -0.69 0.02 0.04 -0.04 3.06 2.39 1k7iA1 TYR 181 HB3 -0.29 -0.01 -0.05 -0.04 2.98 2.60 1k7iA1 TYR 181 HD2 -0.84 -0.03 -0.08 -0.04 7.15 6.16 1k7iA1 TYR 181 HE2 -0.15 0.02 -0.05 -0.04 6.85 6.62 1k7iA1 GLY 182 H -0.15 0.49 -0.19 -0.55 8.43 8.02 1k7iA1 GLY 182 HA2 -0.34 -0.02 0.28 -0.51 4.01 3.42 1k7iA1 GLY 182 HA3 -0.37 0.36 0.30 -0.51 4.01 3.79 1k7iA1 ARG 183 H -0.28 0.31 -0.05 -0.55 8.46 7.90 1k7iA1 ARG 183 HA -0.40 0.02 0.41 -0.75 4.34 3.61 1k7iA1 ARG 183 HB2 -0.16 0.11 0.10 -0.04 1.90 1.91 1k7iA1 ARG 183 HB3 -0.12 0.08 0.14 -0.04 1.80 1.85 1k7iA1 ARG 183 HG2 -0.05 0.01 -0.01 -0.04 1.67 1.58 1k7iA1 ARG 183 HG3 -0.09 0.05 -0.18 -0.04 1.67 1.41 1k7iA1 ARG 183 HD2 0.01 -0.06 0.06 -0.04 3.22 3.19 1k7iA1 ARG 183 HD3 -0.02 -0.06 0.02 -0.04 3.22 3.12 1k7iA1 GLN 184 H -0.22 0.44 -0.19 -0.55 8.47 7.95 1k7iA1 GLN 184 HA -0.11 0.04 0.39 -0.75 4.36 3.92 1k7iA1 GLN 184 HB2 -0.10 -0.06 0.02 -0.04 2.15 1.97 1k7iA1 GLN 184 HB3 -0.42 0.09 0.09 -0.04 2.02 1.74 1k7iA1 GLN 184 HG2 -0.29 0.09 -0.18 -0.04 2.40 1.98 1k7iA1 GLN 184 HG3 -0.12 -0.01 0.01 -0.04 2.39 2.23 1k7iA1 GLN 184 HE21 -0.99 -0.08 -0.03 -0.04 6.97 5.83 1k7iA1 GLN 184 HE22 -0.65 0.14 -0.06 -0.04 7.69 7.07 1k7iA1 THR 185 H -0.41 0.52 -0.30 -0.55 8.28 7.55 1k7iA1 THR 185 HA -0.11 0.01 0.38 -0.75 4.39 3.92 1k7iA1 THR 185 HB -0.15 0.16 0.13 -0.04 4.32 4.42 1k7iA1 THR 185 HG23 0.28 -0.02 -0.14 -0.04 1.22 1.29 1k7iA1 PHE 186 H 0.02 0.48 -0.20 -0.55 8.34 8.09 1k7iA1 PHE 186 HA 0.31 -0.01 0.36 -0.75 4.62 4.53 1k7iA1 PHE 186 HB2 0.00 0.17 0.15 -0.04 3.15 3.43 1k7iA1 PHE 186 HB3 0.10 -0.04 -0.03 -0.04 3.06 3.05 1k7iA1 PHE 186 HD2 -0.12 -0.05 -0.23 -0.04 7.28 6.84 1k7iA1 PHE 186 HE2 -0.49 -0.03 0.01 -0.04 7.38 6.83 1k7iA1 PHE 186 HZ -0.64 0.01 0.02 -0.04 7.32 6.67 1k7iA1 THR 187 H 0.18 0.52 -0.17 -0.55 8.28 8.26 1k7iA1 THR 187 HA 0.38 0.02 0.34 -0.75 4.39 4.38 1k7iA1 THR 187 HB 0.03 0.03 0.00 -0.04 4.32 4.34 1k7iA1 THR 187 HG23 -0.30 -0.04 -0.20 -0.04 1.22 0.63 1k7iA1 HIS 188 H 0.27 0.59 -0.20 -0.55 8.41 8.52 1k7iA1 HIS 188 HA 0.20 -0.03 0.28 -0.75 4.63 4.32 1k7iA1 HIS 188 HB2 0.07 0.07 0.07 -0.04 3.26 3.43 1k7iA1 HIS 188 HB3 0.12 0.04 0.17 -0.04 3.20 3.49 1k7iA1 HIS 188 HD2 0.24 -0.04 -0.29 -0.04 6.97 6.84 1k7iA1 HIS 188 HE1 0.28 0.21 -0.17 -0.04 7.75 8.02 1k7iA1 GLU 189 H 0.40 0.72 -0.06 -0.55 8.60 9.11 1k7iA1 GLU 189 HA 0.26 -0.01 0.33 -0.75 4.29 4.13 1k7iA1 GLU 189 HB2 0.40 0.08 0.06 -0.04 2.09 2.59 1k7iA1 GLU 189 HB3 0.11 -0.04 -0.06 -0.04 1.99 1.96 1k7iA1 GLU 189 HG2 0.40 0.25 0.02 -0.04 2.34 2.97 1k7iA1 GLU 189 HG3 0.04 -0.05 -0.07 -0.04 2.34 2.22 1k7iA1 ILE 190 H 0.27 0.60 -0.24 -0.55 8.25 8.33 1k7iA1 ILE 190 HA -0.02 0.03 0.38 -0.75 4.18 3.82 1k7iA1 ILE 190 HB 0.37 0.12 0.04 -0.04 1.89 2.39 1k7iA1 ILE 190 HG12 0.07 -0.05 -0.03 -0.04 1.49 1.44 1k7iA1 ILE 190 HG13 0.29 0.09 0.05 -0.04 1.21 1.60 1k7iA1 ILE 190 HG23 -0.15 -0.02 -0.16 -0.04 0.93 0.56 1k7iA1 ILE 190 HD13 0.24 -0.05 -0.15 -0.04 0.88 0.88 1k7iA1 GLY 191 H 0.09 0.43 -0.43 -0.55 8.43 7.98 1k7iA1 GLY 191 HA2 -0.83 -0.02 0.33 -0.51 4.01 2.99 1k7iA1 GLY 191 HA3 -0.20 0.04 0.26 -0.51 4.01 3.60 1k7iA1 HIS 192 H -0.16 0.33 -0.21 -0.55 8.41 7.83 1k7iA1 HIS 192 HA 0.05 0.37 0.50 -0.75 4.63 4.80 1k7iA1 HIS 192 HB2 -0.04 0.13 0.08 -0.04 3.26 3.39 1k7iA1 HIS 192 HB3 -0.13 -0.06 -0.21 -0.04 3.20 2.75 1k7iA1 HIS 192 HD2 0.10 -0.11 -0.04 -0.04 6.97 6.88 1k7iA1 HIS 192 HE1 -0.48 -0.16 -0.01 -0.04 7.75 7.06 1k7iA1 ALA 193 H 0.06 0.46 -0.18 -0.55 8.40 8.19 1k7iA1 ALA 193 HA 0.11 0.20 0.39 -0.75 4.34 4.29 1k7iA1 ALA 193 HB3 0.04 -0.00 0.11 -0.04 1.41 1.51 1k7iA1 LEU 194 H -0.03 0.27 -0.75 -0.55 8.37 7.32 1k7iA1 LEU 194 HA 0.28 0.07 0.82 -0.75 4.35 4.78 1k7iA1 LEU 194 HB2 -0.30 0.10 0.11 -0.04 1.64 1.50 1k7iA1 LEU 194 HB3 0.01 -0.08 0.08 -0.04 1.64 1.61 1k7iA1 LEU 194 HG -0.11 0.13 -0.15 -0.04 1.64 1.48 1k7iA1 LEU 194 HD13 -0.56 -0.04 -0.12 -0.04 0.93 0.17 1k7iA1 LEU 194 HD23 0.14 -0.01 -0.04 -0.04 0.89 0.94 1k7iA1 GLY 195 H 0.03 0.39 -0.05 -0.55 8.43 8.25 1k7iA1 GLY 195 HA2 -0.15 -0.05 0.31 -0.51 4.01 3.62 1k7iA1 GLY 195 HA3 -0.14 0.29 1.03 -0.51 4.01 4.68 1k7iA1 LEU 196 H -0.05 0.50 0.18 -0.55 8.37 8.46 1k7iA1 LEU 196 HA -0.04 0.19 0.71 -0.75 4.35 4.45 1k7iA1 LEU 196 HB2 -0.11 -0.09 -0.17 -0.04 1.64 1.22 1k7iA1 LEU 196 HB3 -0.01 -0.02 -0.02 -0.04 1.64 1.55 1k7iA1 LEU 196 HG -0.22 0.10 -0.04 -0.04 1.64 1.44 1k7iA1 LEU 196 HD13 -0.08 -0.05 -0.03 -0.04 0.93 0.74 1k7iA1 LEU 196 HD23 -0.01 0.00 -0.25 -0.04 0.89 0.58 1k7iA1 ALA 197 H 0.02 0.59 0.33 -0.55 8.40 8.79 1k7iA1 ALA 197 HA 0.25 0.13 0.92 -0.75 4.34 4.88 1k7iA1 ALA 197 HB3 -0.01 0.00 0.08 -0.04 1.41 1.45 1k7iA1 HIS 198 H -0.15 0.09 0.18 -0.55 8.41 7.99 1k7iA1 HIS 198 HA -0.06 0.24 0.46 -0.75 4.63 4.51 1k7iA1 HIS 198 HB2 -0.51 0.16 0.24 -0.04 3.26 3.11 1k7iA1 HIS 198 HB3 -0.83 -0.16 0.14 -0.04 3.20 2.30 1k7iA1 HIS 198 HD2 0.09 0.16 0.03 -0.04 6.97 7.20 1k7iA1 HIS 198 HE1 0.01 -0.16 0.14 -0.04 7.75 7.70 1k7iA1 PRO 199 HA 0.18 0.15 0.27 -0.51 4.44 4.53 1k7iA1 PRO 199 HB2 0.10 -0.06 -0.04 -0.04 2.28 2.24 1k7iA1 PRO 199 HB3 0.29 0.00 0.03 -0.04 2.02 2.31 1k7iA1 PRO 199 HG2 0.17 -0.10 -0.07 -0.04 2.03 1.99 1k7iA1 PRO 199 HG3 0.21 0.08 -0.07 -0.04 2.03 2.20 1k7iA1 PRO 199 HD2 0.10 -0.03 0.05 -0.04 3.68 3.76 1k7iA1 PRO 199 HD3 0.14 0.26 -0.24 -0.04 3.65 3.76 1k7iA1 GLY 200 H -0.40 0.11 -0.58 -0.55 8.43 7.01 1k7iA1 GLY 200 HA2 0.02 0.20 0.73 -0.51 4.01 4.45 1k7iA1 GLY 200 HA3 0.08 -0.04 0.18 -0.51 4.01 3.72 1k7iA1 GLU 201 H 0.02 0.17 0.06 -0.55 8.60 8.31 1k7iA1 GLU 201 HA -0.08 0.14 0.53 -0.75 4.29 4.13 1k7iA1 GLU 201 HB2 0.05 -0.00 0.21 -0.04 2.09 2.30 1k7iA1 GLU 201 HB3 0.03 0.01 0.14 -0.04 1.99 2.13 1k7iA1 GLU 201 HG2 0.01 -0.02 0.02 -0.04 2.34 2.31 1k7iA1 GLU 201 HG3 0.02 0.00 0.04 -0.04 2.34 2.36 1k7iA1 TYR 202 H -0.36 0.57 0.13 -0.55 8.29 8.08 1k7iA1 TYR 202 HA 0.11 0.16 0.75 -0.75 4.56 4.82 1k7iA1 TYR 202 HB2 0.23 0.03 -0.05 -0.04 3.06 3.22 1k7iA1 TYR 202 HB3 0.19 0.05 -0.20 -0.04 2.98 2.98 1k7iA1 TYR 202 HD2 -0.21 0.05 -0.36 -0.04 7.15 6.59 1k7iA1 TYR 202 HE2 -0.67 0.02 -0.13 -0.04 6.85 6.03 1k7iA1 ASN 203 H 0.28 0.32 0.19 -0.55 8.53 8.77 1k7iA1 ASN 203 HA 0.36 0.15 0.83 -0.75 4.76 5.34 1k7iA1 ASN 203 HB2 0.12 -0.02 0.02 -0.04 2.88 2.95 1k7iA1 ASN 203 HB3 0.13 0.02 0.11 -0.04 2.79 3.01 1k7iA1 ASN 203 HD21 -0.00 0.04 -0.16 -0.04 7.03 6.87 1k7iA1 ASN 203 HD22 0.05 -0.02 -0.14 -0.04 7.74 7.60 1k7iA1 ALA 204 H 0.41 0.14 0.18 -0.55 8.40 8.58 1k7iA1 ALA 204 HA 0.22 0.11 0.50 -0.75 4.34 4.41 1k7iA1 ALA 204 HB3 0.14 0.01 0.13 -0.04 1.41 1.65 1k7iA1 GLY 205 H 0.09 0.18 0.12 -0.55 8.43 8.28 1k7iA1 GLY 205 HA2 0.05 -0.01 0.38 -0.51 4.01 3.91 1k7iA1 GLY 205 HA3 0.05 0.08 0.53 -0.51 4.01 4.15 1k7iA1 GLU 206 H 0.10 0.27 -0.88 -0.55 8.60 7.55 1k7iA1 GLU 206 HA 0.05 0.01 0.60 -0.75 4.29 4.18 1k7iA1 GLU 206 HB2 0.11 0.02 0.11 -0.04 2.09 2.30 1k7iA1 GLU 206 HB3 0.06 -0.02 0.01 -0.04 1.99 2.01 1k7iA1 GLU 206 HG2 0.03 -0.01 -0.04 -0.04 2.34 2.28 1k7iA1 GLU 206 HG3 0.05 0.08 -0.08 -0.04 2.34 2.35 1k7iA1 GLY 207 H 0.04 0.12 0.20 -0.55 8.43 8.25 1k7iA1 GLY 207 HA2 0.04 -0.00 0.32 -0.51 4.01 3.85 1k7iA1 GLY 207 HA3 0.06 0.04 0.38 -0.51 4.01 3.98 1k7iA1 ASP 208 H 0.04 0.09 0.02 -0.55 8.40 8.01 1k7iA1 ASP 208 HA 0.07 0.22 0.85 -0.75 4.63 5.01 1k7iA1 ASP 208 HB2 0.02 0.01 0.11 -0.04 2.71 2.81 1k7iA1 ASP 208 HB3 0.03 -0.01 -0.05 -0.04 2.70 2.63 1k7iA1 PRO 209 HA 0.04 0.02 0.44 -0.51 4.44 4.43 1k7iA1 PRO 209 HB2 0.34 -0.02 -0.07 -0.04 2.28 2.49 1k7iA1 PRO 209 HB3 0.23 0.07 0.07 -0.04 2.02 2.35 1k7iA1 PRO 209 HG2 0.40 -0.06 -0.08 -0.04 2.03 2.25 1k7iA1 PRO 209 HG3 0.34 0.09 -0.03 -0.04 2.03 2.39 1k7iA1 PRO 209 HD2 0.16 0.14 -0.09 -0.04 3.68 3.85 1k7iA1 PRO 209 HD3 0.15 0.36 -0.20 -0.04 3.65 3.92 1k7iA1 SER 210 H -0.28 0.20 0.21 -0.55 8.46 8.05 1k7iA1 SER 210 HA -1.15 0.18 0.58 -0.75 4.49 3.34 1k7iA1 SER 210 HB2 -0.40 -0.09 0.18 -0.04 3.95 3.59 1k7iA1 SER 210 HB3 -0.23 0.23 -0.14 -0.04 3.93 3.75 1k7iA1 TYR 211 H -0.97 0.20 0.15 -0.55 8.29 7.12 1k7iA1 TYR 211 HA -1.78 0.09 0.40 -0.75 4.56 2.52 1k7iA1 TYR 211 HB2 -0.63 -0.07 0.17 -0.04 3.06 2.49 1k7iA1 TYR 211 HB3 -0.46 0.01 0.11 -0.04 2.98 2.60 1k7iA1 TYR 211 HD2 -0.17 -0.02 0.02 -0.04 7.15 6.94 1k7iA1 TYR 211 HE2 -0.06 0.05 -0.02 -0.04 6.85 6.78 1k7iA1 ASN 212 H -0.40 -0.00 -0.38 -0.55 8.53 7.20 1k7iA1 ASN 212 HA -0.30 0.16 0.38 -0.75 4.76 4.25 1k7iA1 ASN 212 HB2 -0.19 -0.04 -0.02 -0.04 2.88 2.59 1k7iA1 ASN 212 HB3 -0.14 0.07 0.04 -0.04 2.79 2.72 1k7iA1 ASN 212 HD21 -0.11 0.01 0.01 -0.04 7.03 6.90 1k7iA1 ASN 212 HD22 -0.15 0.00 -0.00 -0.04 7.74 7.55 1k7iA1 ASP 213 H -0.38 0.40 -0.35 -0.55 8.40 7.52 1k7iA1 ASP 213 HA -0.09 0.15 0.55 -0.75 4.63 4.49 1k7iA1 ASP 213 HB2 -0.03 0.07 0.05 -0.04 2.71 2.76 1k7iA1 ASP 213 HB3 0.08 0.02 0.07 -0.04 2.70 2.82 1k7iA1 ALA 214 H -0.38 0.37 -0.41 -0.55 8.40 7.43 1k7iA1 ALA 214 HA 0.13 -0.11 0.36 -0.75 4.34 3.97 1k7iA1 ALA 214 HB3 -0.37 0.01 0.09 -0.04 1.41 1.10 1k7iA1 VAL 215 H 0.02 0.07 0.16 -0.55 8.24 7.94 1k7iA1 VAL 215 HA -0.01 0.14 0.48 -0.75 4.13 3.98 1k7iA1 VAL 215 HB 0.15 0.03 0.13 -0.04 2.12 2.39 1k7iA1 VAL 215 HG13 0.07 -0.01 -0.01 -0.04 0.97 0.98 1k7iA1 VAL 215 HG23 0.08 -0.00 0.13 -0.04 0.95 1.12 1k7iA1 TYR 216 H -0.33 0.09 -0.06 -0.55 8.29 7.44 1k7iA1 TYR 216 HA -0.27 0.27 0.77 -0.75 4.56 4.57 1k7iA1 TYR 216 HB2 -0.64 -0.05 0.07 -0.04 3.06 2.40 1k7iA1 TYR 216 HB3 -1.49 0.09 -0.19 -0.04 2.98 1.35 1k7iA1 TYR 216 HD2 -0.30 -0.12 -0.11 -0.04 7.15 6.58 1k7iA1 TYR 216 HE2 -0.02 0.15 -0.11 -0.04 6.85 6.82 1k7iA1 ALA 217 H -0.00 0.65 0.12 -0.55 8.40 8.62 1k7iA1 ALA 217 HA -0.02 0.15 0.30 -0.75 4.34 4.01 1k7iA1 ALA 217 HB3 0.03 0.02 -0.01 -0.04 1.41 1.41 1k7iA1 GLU 218 H 0.08 0.03 -0.19 -0.55 8.60 7.96 1k7iA1 GLU 218 HA -0.42 0.16 0.42 -0.75 4.29 3.70 1k7iA1 GLU 218 HB2 0.15 -0.02 0.03 -0.04 2.09 2.20 1k7iA1 GLU 218 HB3 -0.93 -0.04 0.15 -0.04 1.99 1.14 1k7iA1 GLU 218 HG2 -0.47 0.09 0.02 -0.04 2.34 1.93 1k7iA1 GLU 218 HG3 -1.00 0.08 -0.03 -0.04 2.34 1.34 1k7iA1 ASP 219 H -0.25 0.45 -0.72 -0.55 8.40 7.32 1k7iA1 ASP 219 HA -0.07 0.07 0.65 -0.75 4.63 4.53 1k7iA1 ASP 219 HB2 -0.81 -0.01 0.02 -0.04 2.71 1.87 1k7iA1 ASP 219 HB3 -0.05 0.13 0.18 -0.04 2.70 2.91 1k7iA1 SER 220 H 0.28 0.42 0.12 -0.55 8.46 8.73 1k7iA1 SER 220 HA 0.18 0.14 0.52 -0.75 4.49 4.58 1k7iA1 SER 220 HB2 0.02 0.15 -0.09 -0.04 3.95 4.00 1k7iA1 SER 220 HB3 0.13 0.18 -0.37 -0.04 3.93 3.83 1k7iA1 TYR 221 H 0.04 0.52 0.04 -0.55 8.29 8.33 1k7iA1 TYR 221 HA 0.18 0.26 0.25 -0.75 4.56 4.49 1k7iA1 TYR 221 HB2 0.07 -0.22 0.06 -0.04 3.06 2.93 1k7iA1 TYR 221 HB3 0.21 0.00 -0.02 -0.04 2.98 3.13 1k7iA1 TYR 221 HD2 0.17 -0.04 -0.07 -0.04 7.15 7.17 1k7iA1 TYR 221 HE2 0.27 0.22 -0.26 -0.04 6.85 7.04 1k7iA1 GLN 222 H 0.12 0.02 -0.47 -0.55 8.47 7.59 1k7iA1 GLN 222 HA 0.17 0.12 0.38 -0.75 4.36 4.28 1k7iA1 GLN 222 HB2 -0.26 -0.08 0.07 -0.04 2.15 1.84 1k7iA1 GLN 222 HB3 -0.27 -0.02 -0.02 -0.04 2.02 1.67 1k7iA1 GLN 222 HG2 -1.40 -0.00 -0.25 -0.04 2.40 0.71 1k7iA1 GLN 222 HG3 -0.43 0.22 0.09 -0.04 2.39 2.23 1k7iA1 GLN 222 HE21 -2.91 0.03 -0.07 -0.04 6.97 3.98 1k7iA1 GLN 222 HE22 -3.20 0.02 -0.04 -0.04 7.69 4.43 1k7iA1 PHE 223 H 0.37 0.32 -0.19 -0.55 8.34 8.28 1k7iA1 PHE 223 HA 0.30 0.16 0.95 -0.75 4.62 5.27 1k7iA1 PHE 223 HB2 0.20 0.25 0.17 -0.04 3.15 3.72 1k7iA1 PHE 223 HB3 0.24 -0.12 0.08 -0.04 3.06 3.22 1k7iA1 PHE 223 HD2 0.16 -0.07 -0.03 -0.04 7.28 7.30 1k7iA1 PHE 223 HE2 -0.03 0.06 -0.05 -0.04 7.38 7.32 1k7iA1 PHE 223 HZ -0.29 0.08 -0.05 -0.04 7.32 7.02 1k7iA1 SER 224 H 0.35 0.59 0.13 -0.55 8.46 8.98 1k7iA1 SER 224 HA 0.24 -0.02 0.68 -0.75 4.49 4.64 1k7iA1 SER 224 HB2 0.29 0.10 -0.19 -0.04 3.95 4.11 1k7iA1 SER 224 HB3 0.29 0.04 0.01 -0.04 3.93 4.22 1k7iA1 ILE 225 H 0.18 0.14 0.09 -0.55 8.25 8.10 1k7iA1 ILE 225 HA 0.21 0.13 0.59 -0.75 4.18 4.36 1k7iA1 ILE 225 HB 0.08 0.07 0.04 -0.04 1.89 2.04 1k7iA1 ILE 225 HG12 -0.07 0.11 -0.35 -0.04 1.49 1.14 1k7iA1 ILE 225 HG13 0.05 -0.24 0.04 -0.04 1.21 1.03 1k7iA1 ILE 225 HG23 -0.03 -0.01 -0.05 -0.04 0.93 0.79 1k7iA1 ILE 225 HD13 0.23 0.03 -0.34 -0.04 0.88 0.76 1k7iA1 MET 226 H 0.24 -0.08 -0.48 -0.55 8.47 7.61 1k7iA1 MET 226 HA 0.04 0.18 0.51 -0.75 4.52 4.50 1k7iA1 MET 226 HB2 0.16 -0.09 -0.07 -0.04 2.15 2.12 1k7iA1 MET 226 HB3 0.06 0.15 -0.09 -0.04 2.03 2.11 1k7iA1 MET 226 HG2 0.21 -0.19 -0.08 -0.04 2.63 2.52 1k7iA1 MET 226 HG3 0.07 0.11 -0.11 -0.04 2.56 2.59 1k7iA1 MET 226 HE3 -0.79 0.03 -0.23 -0.04 2.10 1.07 1k7iA1 SER 227 H 0.32 0.14 -0.51 -0.55 8.46 7.86 1k7iA1 SER 227 HA 0.06 0.08 0.42 -0.75 4.49 4.30 1k7iA1 SER 227 HB2 0.19 -0.01 -0.09 -0.04 3.95 4.00 1k7iA1 SER 227 HB3 0.28 0.14 -0.23 -0.04 3.93 4.08 1k7iA1 PHE 228 H -0.89 0.05 0.08 -0.55 8.34 7.03 1k7iA1 PHE 228 HA -0.28 0.25 0.72 -0.75 4.62 4.55 1k7iA1 PHE 228 HB2 -2.30 -0.03 -0.03 -0.04 3.15 0.74 1k7iA1 PHE 228 HB3 -1.59 -0.02 -0.08 -0.04 3.06 1.34 1k7iA1 PHE 228 HD2 -0.32 0.10 -0.19 -0.04 7.28 6.82 1k7iA1 PHE 228 HE2 0.03 -0.02 -0.18 -0.04 7.38 7.17 1k7iA1 PHE 228 HZ 0.16 -0.06 0.03 -0.04 7.32 7.41 1k7iA1 TRP 229 H -0.69 -0.01 -0.01 -0.55 7.97 6.72 1k7iA1 TRP 229 HA -0.22 0.16 0.79 -0.75 4.62 4.59 1k7iA1 TRP 229 HB2 -0.05 0.14 0.17 -0.04 3.23 3.45 1k7iA1 TRP 229 HB3 -0.10 -0.02 0.12 -0.04 3.23 3.19 1k7iA1 TRP 229 HD1 0.15 0.46 0.11 -0.04 7.22 7.90 1k7iA1 TRP 229 HE1 -0.16 0.05 -0.13 -0.04 10.20 9.92 1k7iA1 TRP 229 HE3 -0.08 0.08 -0.25 -0.04 7.59 7.29 1k7iA1 TRP 229 HZ2 -1.13 0.06 -0.28 -0.04 7.44 6.06 1k7iA1 TRP 229 HZ3 -0.07 0.14 -0.15 -0.04 7.13 7.01 1k7iA1 TRP 229 HH2 -0.17 0.10 -0.53 -0.04 7.19 6.56 1k7iA1 GLY 230 H -0.05 0.16 0.19 -0.55 8.43 8.19 1k7iA1 GLY 230 HA2 -0.36 0.12 0.40 -0.51 4.01 3.65 1k7iA1 GLY 230 HA3 -0.12 0.06 0.37 -0.51 4.01 3.82 1k7iA1 GLU 231 H -0.06 0.23 0.16 -0.55 8.60 8.38 1k7iA1 GLU 231 HA -0.11 -0.03 0.39 -0.75 4.29 3.79 1k7iA1 GLU 231 HB2 -0.52 0.10 -0.01 -0.04 2.09 1.62 1k7iA1 GLU 231 HB3 -0.34 0.04 -0.01 -0.04 1.99 1.64 1k7iA1 GLU 231 HG2 -0.49 0.22 -0.66 -0.04 2.34 1.37 1k7iA1 GLU 231 HG3 -1.81 0.09 -0.26 -0.04 2.34 0.31 1k7iA1 ASN 232 H -0.17 -0.01 -0.35 -0.55 8.53 7.46 1k7iA1 ASN 232 HA -0.14 0.47 0.47 -0.75 4.76 4.81 1k7iA1 ASN 232 HB2 -0.10 0.08 0.06 -0.04 2.88 2.88 1k7iA1 ASN 232 HB3 -0.12 -0.03 0.11 -0.04 2.79 2.70 1k7iA1 ASN 232 HD21 -0.08 0.02 0.04 -0.04 7.03 6.96 1k7iA1 ASN 232 HD22 -0.10 -0.07 0.03 -0.04 7.74 7.57 1k7iA1 GLU 233 H -0.21 0.32 -0.38 -0.55 8.60 7.78 1k7iA1 GLU 233 HA -0.34 0.08 0.39 -0.75 4.29 3.66 1k7iA1 GLU 233 HB2 -0.52 0.10 0.02 -0.04 2.09 1.64 1k7iA1 GLU 233 HB3 -1.69 0.07 0.05 -0.04 1.99 0.38 1k7iA1 GLU 233 HG2 -0.23 -0.12 0.06 -0.04 2.34 2.01 1k7iA1 GLU 233 HG3 -0.28 -0.07 0.07 -0.04 2.34 2.02 1k7iA1 THR 234 H -0.15 0.23 -0.42 -0.55 8.28 7.39 1k7iA1 THR 234 HA -0.02 0.26 0.89 -0.75 4.39 4.78 1k7iA1 THR 234 HB 0.22 0.02 0.10 -0.04 4.32 4.62 1k7iA1 THR 234 HG23 0.12 -0.02 -0.17 -0.04 1.22 1.12 1k7iA1 GLY 235 H -0.08 0.34 -0.27 -0.55 8.43 7.88 1k7iA1 GLY 235 HA2 -0.01 0.03 0.30 -0.51 4.01 3.82 1k7iA1 GLY 235 HA3 0.05 0.14 0.67 -0.51 4.01 4.35 1k7iA1 ALA 236 H -0.11 0.24 -0.11 -0.55 8.40 7.87 1k7iA1 ALA 236 HA -0.01 0.13 0.48 -0.75 4.34 4.19 1k7iA1 ALA 236 HB3 -0.29 0.01 -0.01 -0.04 1.41 1.08 1k7iA1 ASP 237 H -0.02 0.57 0.16 -0.55 8.40 8.56 1k7iA1 ASP 237 HA -0.16 -0.02 0.66 -0.75 4.63 4.36 1k7iA1 ASP 237 HB2 -0.03 0.18 -0.25 -0.04 2.71 2.56 1k7iA1 ASP 237 HB3 0.01 0.00 0.14 -0.04 2.70 2.81 1k7iA1 TYR 238 H -0.11 0.10 0.08 -0.55 8.29 7.80 1k7iA1 TYR 238 HA -0.02 0.28 0.87 -0.75 4.56 4.94 1k7iA1 TYR 238 HB2 -0.04 0.03 0.04 -0.04 3.06 3.05 1k7iA1 TYR 238 HB3 0.00 0.04 0.05 -0.04 2.98 3.04 1k7iA1 TYR 238 HD2 -0.01 0.06 -0.35 -0.04 7.15 6.81 1k7iA1 TYR 238 HE2 0.01 0.12 -0.37 -0.04 6.85 6.56 1k7iA1 ASN 239 H 0.04 0.05 -0.22 -0.55 8.53 7.85 1k7iA1 ASN 239 HA -0.01 0.02 0.30 -0.75 4.76 4.32 1k7iA1 ASN 239 HB2 0.05 0.05 -0.09 -0.04 2.88 2.85 1k7iA1 ASN 239 HB3 0.14 0.13 -0.13 -0.04 2.79 2.89 1k7iA1 ASN 239 HD21 0.02 -0.00 0.04 -0.04 7.03 7.04 1k7iA1 ASN 239 HD22 0.10 0.03 0.04 -0.04 7.74 7.87 1k7iA1 GLY 240 H -0.08 -0.03 -0.18 -0.55 8.43 7.59 1k7iA1 GLY 240 HA2 -0.18 -0.05 0.29 -0.51 4.01 3.57 1k7iA1 GLY 240 HA3 -0.18 0.17 0.58 -0.51 4.01 4.06 1k7iA1 HIS 241 H 0.01 0.43 -0.39 -0.55 8.41 7.91 1k7iA1 HIS 241 HA -0.07 0.11 0.65 -0.75 4.63 4.56 1k7iA1 HIS 241 HB2 -0.02 0.09 0.01 -0.04 3.26 3.31 1k7iA1 HIS 241 HB3 -0.02 -0.00 -0.05 -0.04 3.20 3.08 1k7iA1 HIS 241 HD2 -0.01 0.15 -0.01 -0.04 6.97 7.05 1k7iA1 HIS 241 HE1 0.01 -0.01 0.03 -0.04 7.75 7.74 1k7iA1 TYR 242 H 0.21 0.27 0.09 -0.55 8.29 8.32 1k7iA1 TYR 242 HA 0.12 0.09 0.74 -0.75 4.56 4.76 1k7iA1 TYR 242 HB2 0.06 -0.03 -0.18 -0.04 3.06 2.88 1k7iA1 TYR 242 HB3 0.01 -0.01 -0.09 -0.04 2.98 2.86 1k7iA1 TYR 242 HD2 0.06 -0.05 -0.09 -0.04 7.15 7.03 1k7iA1 TYR 242 HE2 0.11 0.01 -0.06 -0.04 6.85 6.87 1k7iA1 GLY 243 H 0.09 0.12 0.04 -0.55 8.43 8.13 1k7iA1 GLY 243 HA2 -0.04 0.13 0.37 -0.51 4.01 3.95 1k7iA1 GLY 243 HA3 -0.05 0.06 0.28 -0.51 4.01 3.79 1k7iA1 GLY 244 H -0.05 0.02 -0.12 -0.55 8.43 7.73 1k7iA1 GLY 244 HA2 -0.11 -0.08 0.17 -0.51 4.01 3.48 1k7iA1 GLY 244 HA3 -0.09 0.16 0.40 -0.51 4.01 3.97 1k7iA1 ALA 245 H -0.27 0.10 -0.41 -0.55 8.40 7.27 1k7iA1 ALA 245 HA -0.57 0.23 0.83 -0.75 4.34 4.07 1k7iA1 ALA 245 HB3 -1.24 0.02 -0.02 -0.04 1.41 0.13 1k7iA1 PRO 246 HA -0.32 -0.13 0.38 -0.51 4.44 3.86 1k7iA1 PRO 246 HB2 -0.33 0.07 -0.00 -0.04 2.28 1.98 1k7iA1 PRO 246 HB3 -0.52 -0.03 -0.04 -0.04 2.02 1.38 1k7iA1 PRO 246 HG2 -1.17 0.20 -0.09 -0.04 2.03 0.93 1k7iA1 PRO 246 HG3 -2.44 0.03 -0.05 -0.04 2.03 -0.47 1k7iA1 PRO 246 HD2 -0.62 0.16 0.14 -0.04 3.68 3.32 1k7iA1 PRO 246 HD3 -0.85 0.13 0.14 -0.04 3.65 3.04 1k7iA1 MET 247 H 0.02 -0.11 0.15 -0.55 8.47 7.98 1k7iA1 MET 247 HA 0.04 0.24 0.71 -0.75 4.52 4.76 1k7iA1 MET 247 HB2 0.16 -0.20 -0.36 -0.04 2.15 1.71 1k7iA1 MET 247 HB3 0.15 0.05 -0.11 -0.04 2.03 2.08 1k7iA1 MET 247 HG2 0.04 0.02 -0.17 -0.04 2.63 2.47 1k7iA1 MET 247 HG3 0.15 0.27 -0.20 -0.04 2.56 2.74 1k7iA1 MET 247 HE3 0.10 0.03 -0.07 -0.04 2.10 2.12 1k7iA1 ILE 248 H 0.12 0.26 0.09 -0.55 8.25 8.17 1k7iA1 ILE 248 HA 0.14 0.06 0.23 -0.75 4.18 3.85 1k7iA1 ILE 248 HB 0.00 0.05 0.05 -0.04 1.89 1.95 1k7iA1 ILE 248 HG12 0.19 -0.05 -0.14 -0.04 1.49 1.45 1k7iA1 ILE 248 HG13 0.14 -0.10 0.04 -0.04 1.21 1.25 1k7iA1 ILE 248 HG23 0.36 0.04 0.10 -0.04 0.93 1.39 1k7iA1 ILE 248 HD13 0.08 0.02 -0.02 -0.04 0.88 0.92 1k7iA1 ASP 249 H 0.29 0.55 0.08 -0.55 8.40 8.77 1k7iA1 ASP 249 HA 0.19 0.05 0.55 -0.75 4.63 4.67 1k7iA1 ASP 249 HB2 0.30 0.12 -0.03 -0.04 2.71 3.06 1k7iA1 ASP 249 HB3 0.22 -0.01 -0.05 -0.04 2.70 2.82 1k7iA1 ASP 250 H 0.20 0.21 -0.20 -0.55 8.40 8.07 1k7iA1 ASP 250 HA 0.25 0.09 0.44 -0.75 4.63 4.66 1k7iA1 ASP 250 HB2 0.10 0.18 0.13 -0.04 2.71 3.08 1k7iA1 ASP 250 HB3 0.37 0.10 0.01 -0.04 2.70 3.14 1k7iA1 ILE 251 H 0.14 0.49 -0.20 -0.55 8.25 8.13 1k7iA1 ILE 251 HA 0.11 0.08 0.34 -0.75 4.18 3.96 1k7iA1 ILE 251 HB 0.12 0.06 0.06 -0.04 1.89 2.09 1k7iA1 ILE 251 HG12 0.03 0.03 -0.09 -0.04 1.49 1.41 1k7iA1 ILE 251 HG13 0.06 0.07 -0.23 -0.04 1.21 1.07 1k7iA1 ILE 251 HG23 -0.05 0.00 -0.15 -0.04 0.93 0.69 1k7iA1 ILE 251 HD13 0.19 0.01 -0.27 -0.04 0.88 0.77 1k7iA1 ALA 252 H 0.13 0.34 -0.16 -0.55 8.40 8.16 1k7iA1 ALA 252 HA 0.07 0.07 0.35 -0.75 4.34 4.07 1k7iA1 ALA 252 HB3 0.09 -0.00 0.06 -0.04 1.41 1.52 1k7iA1 ALA 253 H 0.13 0.45 -0.27 -0.55 8.40 8.16 1k7iA1 ALA 253 HA 0.07 0.02 0.40 -0.75 4.34 4.08 1k7iA1 ALA 253 HB3 0.12 0.01 0.11 -0.04 1.41 1.61 1k7iA1 ILE 254 H 0.18 0.66 -0.03 -0.55 8.25 8.52 1k7iA1 ILE 254 HA 0.11 0.08 0.39 -0.75 4.18 4.00 1k7iA1 ILE 254 HB 0.29 -0.00 0.08 -0.04 1.89 2.21 1k7iA1 ILE 254 HG12 0.22 0.01 -0.05 -0.04 1.49 1.63 1k7iA1 ILE 254 HG13 0.25 -0.04 -0.05 -0.04 1.21 1.33 1k7iA1 ILE 254 HG23 0.27 0.03 -0.07 -0.04 0.93 1.12 1k7iA1 ILE 254 HD13 -0.08 0.00 -0.01 -0.04 0.88 0.75 1k7iA1 GLN 255 H 0.06 0.47 -0.37 -0.55 8.47 8.07 1k7iA1 GLN 255 HA 0.03 0.14 0.27 -0.75 4.36 4.05 1k7iA1 GLN 255 HB2 -0.02 0.07 0.03 -0.04 2.15 2.19 1k7iA1 GLN 255 HB3 -0.05 -0.14 -0.12 -0.04 2.02 1.67 1k7iA1 GLN 255 HG2 -0.24 0.11 -0.11 -0.04 2.40 2.11 1k7iA1 GLN 255 HG3 -0.14 0.22 -0.01 -0.04 2.39 2.42 1k7iA1 GLN 255 HE21 -2.65 -0.06 -0.01 -0.04 6.97 4.21 1k7iA1 GLN 255 HE22 -1.33 0.49 0.14 -0.04 7.69 6.95 1k7iA1 ARG 256 H 0.05 0.43 -0.31 -0.55 8.46 8.08 1k7iA1 ARG 256 HA 0.06 -0.03 0.42 -0.75 4.34 4.03 1k7iA1 ARG 256 HB2 0.04 -0.04 0.10 -0.04 1.90 1.96 1k7iA1 ARG 256 HB3 0.07 0.29 0.18 -0.04 1.80 2.30 1k7iA1 ARG 256 HG2 0.29 0.04 -0.23 -0.04 1.67 1.73 1k7iA1 ARG 256 HG3 0.03 -0.08 0.00 -0.04 1.67 1.58 1k7iA1 ARG 256 HD2 -0.00 -0.11 -0.12 -0.04 3.22 2.95 1k7iA1 ARG 256 HD3 0.07 0.09 -0.12 -0.04 3.22 3.22 1k7iA1 LEU 257 H -0.00 0.31 -0.30 -0.55 8.37 7.84 1k7iA1 LEU 257 HA -0.18 0.10 0.64 -0.75 4.35 4.15 1k7iA1 LEU 257 HB2 -0.29 0.07 0.16 -0.04 1.64 1.53 1k7iA1 LEU 257 HB3 -0.82 -0.01 0.03 -0.04 1.64 0.80 1k7iA1 LEU 257 HG -0.08 0.04 0.02 -0.04 1.64 1.58 1k7iA1 LEU 257 HD13 -0.15 0.01 -0.02 -0.04 0.93 0.74 1k7iA1 LEU 257 HD23 -0.26 -0.02 -0.06 -0.04 0.89 0.52 1k7iA1 TYR 258 H 0.06 0.53 0.06 -0.55 8.29 8.39 1k7iA1 TYR 258 HA 0.00 0.41 0.88 -0.75 4.56 5.10 1k7iA1 TYR 258 HB2 -0.01 -0.01 -0.04 -0.04 3.06 2.96 1k7iA1 TYR 258 HB3 -0.01 0.02 0.03 -0.04 2.98 2.99 1k7iA1 TYR 258 HD2 -0.01 0.16 -0.00 -0.04 7.15 7.26 1k7iA1 TYR 258 HE2 0.03 -0.03 0.02 -0.04 6.85 6.83 1k7iA1 GLY 259 H 0.07 0.45 -0.09 -0.55 8.43 8.30 1k7iA1 GLY 259 HA2 0.05 0.03 0.40 -0.51 4.01 3.98 1k7iA1 GLY 259 HA3 0.07 0.15 0.54 -0.51 4.01 4.26 1k7iA1 ALA 260 H 0.04 0.08 0.15 -0.55 8.40 8.12 1k7iA1 ALA 260 HA -0.18 0.29 0.70 -0.75 4.34 4.39 1k7iA1 ALA 260 HB3 0.01 -0.00 0.04 -0.04 1.41 1.41 1k7iA1 ASN 261 H -0.13 0.58 -0.07 -0.55 8.53 8.38 1k7iA1 ASN 261 HA 0.13 0.07 0.57 -0.75 4.76 4.77 1k7iA1 ASN 261 HB2 0.07 0.15 -0.62 -0.04 2.88 2.44 1k7iA1 ASN 261 HB3 0.23 0.20 -0.07 -0.04 2.79 3.10 1k7iA1 ASN 261 HD21 0.10 -0.16 -0.01 -0.04 7.03 6.92 1k7iA1 ASN 261 HD22 0.11 0.72 0.11 -0.04 7.74 8.64 1k7iA1 MET 262 H 0.18 0.24 0.07 -0.55 8.47 8.41 1k7iA1 MET 262 HA 0.29 0.20 0.60 -0.75 4.52 4.85 1k7iA1 MET 262 HB2 0.12 -0.02 0.07 -0.04 2.15 2.28 1k7iA1 MET 262 HB3 0.11 0.04 0.19 -0.04 2.03 2.33 1k7iA1 MET 262 HG2 0.18 0.10 -0.07 -0.04 2.63 2.81 1k7iA1 MET 262 HG3 0.13 -0.02 0.01 -0.04 2.56 2.65 1k7iA1 MET 262 HE3 0.08 0.01 0.06 -0.04 2.10 2.21 1k7iA1 THR 263 H 0.17 0.11 -0.43 -0.55 8.28 7.59 1k7iA1 THR 263 HA 0.07 0.22 0.79 -0.75 4.39 4.71 1k7iA1 THR 263 HB 0.06 -0.03 0.11 -0.04 4.32 4.42 1k7iA1 THR 263 HG23 0.07 -0.01 -0.08 -0.04 1.22 1.16 1k7iA1 THR 264 H 0.21 0.27 -0.25 -0.55 8.28 7.96 1k7iA1 THR 264 HA 0.11 0.05 0.65 -0.75 4.39 4.46 1k7iA1 THR 264 HB 0.38 0.04 0.09 -0.04 4.32 4.79 1k7iA1 THR 264 HG23 0.25 -0.02 -0.09 -0.04 1.22 1.32 1k7iA1 ARG 265 H 0.05 0.16 0.18 -0.55 8.46 8.30 1k7iA1 ARG 265 HA -0.02 -0.03 0.34 -0.75 4.34 3.87 1k7iA1 ARG 265 HB2 0.00 0.10 -0.14 -0.04 1.90 1.82 1k7iA1 ARG 265 HB3 -0.04 -0.01 0.16 -0.04 1.80 1.87 1k7iA1 ARG 265 HG2 -0.04 0.01 0.05 -0.04 1.67 1.65 1k7iA1 ARG 265 HG3 0.05 -0.00 0.01 -0.04 1.67 1.69 1k7iA1 ARG 265 HD2 -0.14 -0.07 -0.03 -0.04 3.22 2.94 1k7iA1 ARG 265 HD3 -0.04 -0.02 0.01 -0.04 3.22 3.13 1k7iA1 THR 266 H -0.01 0.11 -0.23 -0.55 8.28 7.61 1k7iA1 THR 266 HA -0.05 0.17 0.33 -0.75 4.39 4.08 1k7iA1 THR 266 HB -0.02 -0.03 -0.03 -0.04 4.32 4.19 1k7iA1 THR 266 HG23 0.00 0.02 -0.35 -0.04 1.22 0.85 1k7iA1 GLY 267 H -0.04 -0.07 -0.43 -0.55 8.43 7.35 1k7iA1 GLY 267 HA2 -0.03 0.11 0.57 -0.51 4.01 4.15 1k7iA1 GLY 267 HA3 -0.04 -0.02 0.23 -0.51 4.01 3.67 1k7iA1 ASP 268 H -0.04 0.10 0.10 -0.55 8.40 8.01 1k7iA1 ASP 268 HA -0.05 0.11 0.54 -0.75 4.63 4.47 1k7iA1 ASP 268 HB2 -0.05 -0.07 0.23 -0.04 2.71 2.78 1k7iA1 ASP 268 HB3 -0.05 0.08 0.10 -0.04 2.70 2.79 1k7iA1 SER 269 H -0.06 0.22 0.06 -0.55 8.46 8.14 1k7iA1 SER 269 HA -0.19 0.13 0.81 -0.75 4.49 4.48 1k7iA1 SER 269 HB2 -0.06 -0.03 -0.00 -0.04 3.95 3.81 1k7iA1 SER 269 HB3 -0.49 -0.05 -0.07 -0.04 3.93 3.28 1k7iA1 VAL 270 H -0.31 0.10 0.17 -0.55 8.24 7.66 1k7iA1 VAL 270 HA -0.08 0.26 1.10 -0.75 4.13 4.67 1k7iA1 VAL 270 HB -0.13 -0.08 0.14 -0.04 2.12 2.02 1k7iA1 VAL 270 HG13 -0.03 0.01 -0.23 -0.04 0.97 0.68 1k7iA1 VAL 270 HG23 -0.07 0.01 -0.14 -0.04 0.95 0.70 1k7iA1 TYR 271 H 0.16 0.71 0.38 -0.55 8.29 8.99 1k7iA1 TYR 271 HA -0.14 0.14 0.94 -0.75 4.56 4.75 1k7iA1 TYR 271 HB2 0.13 -0.03 0.10 -0.04 3.06 3.21 1k7iA1 TYR 271 HB3 -0.29 0.03 0.03 -0.04 2.98 2.71 1k7iA1 TYR 271 HD2 -0.56 0.05 -0.08 -0.04 7.15 6.51 1k7iA1 TYR 271 HE2 -0.72 0.03 -0.12 -0.04 6.85 6.01 1k7iA1 GLY 272 H 0.07 0.78 0.33 -0.55 8.43 9.07 1k7iA1 GLY 272 HA2 0.18 -0.02 0.23 -0.51 4.01 3.90 1k7iA1 GLY 272 HA3 0.32 0.21 0.87 -0.51 4.01 4.90 1k7iA1 PHE 273 H 0.30 0.65 0.32 -0.55 8.34 9.05 1k7iA1 PHE 273 HA -0.02 0.27 0.69 -0.75 4.62 4.80 1k7iA1 PHE 273 HB2 -0.02 -0.05 0.02 -0.04 3.15 3.06 1k7iA1 PHE 273 HB3 -0.04 0.02 0.02 -0.04 3.06 3.01 1k7iA1 PHE 273 HD2 -0.05 0.15 -0.02 -0.04 7.28 7.32 1k7iA1 PHE 273 HE2 -0.73 -0.09 -0.33 -0.04 7.38 6.19 1k7iA1 PHE 273 HZ -0.78 0.10 -0.34 -0.04 7.32 6.26 1k7iA1 ASN 274 H 0.10 0.18 0.17 -0.55 8.53 8.43 1k7iA1 ASN 274 HA 0.01 0.03 0.30 -0.75 4.76 4.35 1k7iA1 ASN 274 HB2 0.03 0.15 -0.11 -0.04 2.88 2.91 1k7iA1 ASN 274 HB3 -0.00 0.01 0.13 -0.04 2.79 2.88 1k7iA1 ASN 274 HD21 0.01 -0.01 -0.12 -0.04 7.03 6.88 1k7iA1 ASN 274 HD22 0.04 0.04 -0.27 -0.04 7.74 7.52 1k7iA1 SER 275 H -0.04 0.06 -0.32 -0.55 8.46 7.61 1k7iA1 SER 275 HA -0.12 0.17 0.26 -0.75 4.49 4.05 1k7iA1 SER 275 HB2 -0.08 0.19 0.02 -0.04 3.95 4.03 1k7iA1 SER 275 HB3 -0.09 -0.12 0.04 -0.04 3.93 3.71 1k7iA1 ASN 276 H -0.20 0.29 0.27 -0.55 8.53 8.34 1k7iA1 ASN 276 HA -0.09 0.19 0.85 -0.75 4.76 4.96 1k7iA1 ASN 276 HB2 -0.08 0.00 0.20 -0.04 2.88 2.96 1k7iA1 ASN 276 HB3 -0.09 0.08 0.03 -0.04 2.79 2.77 1k7iA1 ASN 276 HD21 -0.11 0.42 0.24 -0.04 7.03 7.53 1k7iA1 ASN 276 HD22 -0.08 -0.03 0.08 -0.04 7.74 7.66 1k7iA1 THR 277 H -0.18 0.10 -0.08 -0.55 8.28 7.57 1k7iA1 THR 277 HA -0.16 0.19 0.54 -0.75 4.39 4.22 1k7iA1 THR 277 HB -0.06 0.06 -0.00 -0.04 4.32 4.27 1k7iA1 THR 277 HG23 -0.61 0.04 -0.00 -0.04 1.22 0.61 1k7iA1 ASP 278 H -0.09 0.07 -0.21 -0.55 8.40 7.62 1k7iA1 ASP 278 HA -0.07 -0.00 0.19 -0.75 4.63 4.00 1k7iA1 ASP 278 HB2 -0.04 0.00 -0.16 -0.04 2.71 2.47 1k7iA1 ASP 278 HB3 -0.04 0.24 0.06 -0.04 2.70 2.92 1k7iA1 ARG 279 H -0.14 0.08 -0.29 -0.55 8.46 7.56 1k7iA1 ARG 279 HA -0.22 0.20 0.73 -0.75 4.34 4.30 1k7iA1 ARG 279 HB2 -0.30 -0.09 -0.03 -0.04 1.90 1.44 1k7iA1 ARG 279 HB3 -1.29 -0.04 -0.05 -0.04 1.80 0.39 1k7iA1 ARG 279 HG2 -0.07 0.26 -0.47 -0.04 1.67 1.35 1k7iA1 ARG 279 HG3 -0.01 0.01 -0.09 -0.04 1.67 1.54 1k7iA1 ARG 279 HD2 -0.10 -0.06 -0.01 -0.04 3.22 3.01 1k7iA1 ARG 279 HD3 -0.07 0.11 0.09 -0.04 3.22 3.30 1k7iA1 ASP 280 H -0.14 0.24 0.06 -0.55 8.40 8.00 1k7iA1 ASP 280 HA -0.10 0.06 0.36 -0.75 4.63 4.19 1k7iA1 ASP 280 HB2 -0.01 0.07 0.06 -0.04 2.71 2.79 1k7iA1 ASP 280 HB3 -0.03 0.00 0.10 -0.04 2.70 2.73 1k7iA1 PHE 281 H -0.29 0.09 -0.19 -0.55 8.34 7.40 1k7iA1 PHE 281 HA -0.06 0.17 0.42 -0.75 4.62 4.40 1k7iA1 PHE 281 HB2 -0.14 0.13 0.16 -0.04 3.15 3.27 1k7iA1 PHE 281 HB3 -0.13 0.07 0.10 -0.04 3.06 3.06 1k7iA1 PHE 281 HD2 -0.48 -0.02 -0.12 -0.04 7.28 6.62 1k7iA1 PHE 281 HE2 -0.59 0.05 -0.03 -0.04 7.38 6.77 1k7iA1 PHE 281 HZ -0.17 0.07 0.01 -0.04 7.32 7.18 1k7iA1 TYR 282 H -0.41 0.34 -0.49 -0.55 8.29 7.17 1k7iA1 TYR 282 HA -0.43 0.17 0.78 -0.75 4.56 4.33 1k7iA1 TYR 282 HB2 -0.36 0.02 0.02 -0.04 3.06 2.70 1k7iA1 TYR 282 HB3 -0.19 -0.09 0.15 -0.04 2.98 2.80 1k7iA1 TYR 282 HD2 -0.90 0.00 -0.08 -0.04 7.15 6.14 1k7iA1 TYR 282 HE2 0.06 0.02 -0.17 -0.04 6.85 6.72 1k7iA1 THR 283 H -0.07 0.47 -0.14 -0.55 8.28 7.99 1k7iA1 THR 283 HA -0.07 0.26 1.15 -0.75 4.39 4.97 1k7iA1 THR 283 HB -0.08 0.04 0.08 -0.04 4.32 4.32 1k7iA1 THR 283 HG23 -0.08 -0.03 -0.18 -0.04 1.22 0.88 1k7iA1 ALA 284 H -0.21 0.58 0.07 -0.55 8.40 8.29 1k7iA1 ALA 284 HA -0.21 0.16 0.75 -0.75 4.34 4.29 1k7iA1 ALA 284 HB3 -0.85 0.01 -0.19 -0.04 1.41 0.35 1k7iA1 THR 285 H -0.10 0.20 0.07 -0.55 8.28 7.90 1k7iA1 THR 285 HA -0.03 0.10 0.58 -0.75 4.39 4.28 1k7iA1 THR 285 HB -0.00 0.01 0.05 -0.04 4.32 4.34 1k7iA1 THR 285 HG23 -0.03 0.02 -0.03 -0.04 1.22 1.14 1k7iA1 ASP 286 H -0.01 0.20 0.03 -0.55 8.40 8.07 1k7iA1 ASP 286 HA 0.26 0.17 0.42 -0.75 4.63 4.73 1k7iA1 ASP 286 HB2 0.08 -0.04 0.17 -0.04 2.71 2.88 1k7iA1 ASP 286 HB3 0.06 0.20 -0.09 -0.04 2.70 2.83 1k7iA1 SER 287 H 0.14 0.21 0.14 -0.55 8.46 8.39 1k7iA1 SER 287 HA 0.28 0.08 0.29 -0.75 4.49 4.39 1k7iA1 SER 287 HB2 0.14 -0.03 0.14 -0.04 3.95 4.17 1k7iA1 SER 287 HB3 0.02 0.18 0.21 -0.04 3.93 4.31 1k7iA1 SER 288 H 0.10 0.01 -0.41 -0.55 8.46 7.61 1k7iA1 SER 288 HA 0.11 0.16 0.57 -0.75 4.49 4.58 1k7iA1 SER 288 HB2 0.06 0.03 0.12 -0.04 3.95 4.12 1k7iA1 SER 288 HB3 0.06 -0.03 0.03 -0.04 3.93 3.96 1k7iA1 LYS 289 H 0.11 0.43 -0.32 -0.55 8.42 8.09 1k7iA1 LYS 289 HA -0.00 0.11 0.84 -0.75 4.32 4.52 1k7iA1 LYS 289 HB2 -0.07 0.04 0.18 -0.04 1.87 1.97 1k7iA1 LYS 289 HB3 -0.06 0.17 0.05 -0.04 1.79 1.91 1k7iA1 LYS 289 HG2 0.02 -0.09 -0.07 -0.04 1.46 1.27 1k7iA1 LYS 289 HG3 -0.03 -0.24 0.10 -0.04 1.46 1.25 1k7iA1 LYS 289 HD2 -0.02 0.10 0.05 -0.04 1.69 1.78 1k7iA1 LYS 289 HD3 0.01 0.10 -0.08 -0.04 1.68 1.67 1k7iA1 LYS 289 HE2 0.02 -0.04 -0.06 -0.04 2.99 2.86 1k7iA1 LYS 289 HE3 -0.00 -0.04 -0.00 -0.04 2.99 2.90 1k7iA1 ALA 290 H -0.17 0.11 0.17 -0.55 8.40 7.96 1k7iA1 ALA 290 HA -0.10 0.13 0.60 -0.75 4.34 4.21 1k7iA1 ALA 290 HB3 -0.51 0.01 0.01 -0.04 1.41 0.88 1k7iA1 LEU 291 H -0.15 0.19 0.09 -0.55 8.37 7.95 1k7iA1 LEU 291 HA 0.00 0.26 0.84 -0.75 4.35 4.70 1k7iA1 LEU 291 HB2 -0.14 -0.08 -0.02 -0.04 1.64 1.36 1k7iA1 LEU 291 HB3 0.02 0.04 -0.17 -0.04 1.64 1.49 1k7iA1 LEU 291 HG 0.05 0.03 -0.39 -0.04 1.64 1.28 1k7iA1 LEU 291 HD13 0.18 -0.04 -0.16 -0.04 0.93 0.87 1k7iA1 LEU 291 HD23 0.16 0.03 -0.43 -0.04 0.89 0.61 1k7iA1 ILE 292 H 0.02 0.36 0.04 -0.55 8.25 8.13 1k7iA1 ILE 292 HA -0.40 0.33 0.86 -0.75 4.18 4.21 1k7iA1 ILE 292 HB -0.16 -0.01 0.10 -0.04 1.89 1.79 1k7iA1 ILE 292 HG12 -0.73 0.05 -0.09 -0.04 1.49 0.68 1k7iA1 ILE 292 HG13 -0.29 -0.07 -0.72 -0.04 1.21 0.10 1k7iA1 ILE 292 HG23 -0.46 -0.03 -0.07 -0.04 0.93 0.33 1k7iA1 ILE 292 HD13 -0.14 -0.01 -0.31 -0.04 0.88 0.37 1k7iA1 PHE 293 H -0.40 0.61 0.33 -0.55 8.34 8.33 1k7iA1 PHE 293 HA -0.04 0.07 0.44 -0.75 4.62 4.33 1k7iA1 PHE 293 HB2 0.23 -0.02 -0.04 -0.04 3.15 3.29 1k7iA1 PHE 293 HB3 0.12 0.32 -0.18 -0.04 3.06 3.28 1k7iA1 PHE 293 HD2 0.16 0.07 -0.39 -0.04 7.28 7.09 1k7iA1 PHE 293 HE2 -0.01 -0.01 -0.14 -0.04 7.38 7.17 1k7iA1 PHE 293 HZ -0.15 -0.03 -0.16 -0.04 7.32 6.95 1k7iA1 SER 294 H 0.27 0.38 0.10 -0.55 8.46 8.66 1k7iA1 SER 294 HA 0.14 0.18 0.79 -0.75 4.49 4.84 1k7iA1 SER 294 HB2 0.06 -0.12 0.01 -0.04 3.95 3.86 1k7iA1 SER 294 HB3 0.12 0.19 0.02 -0.04 3.93 4.22 1k7iA1 VAL 295 H 0.33 0.56 0.23 -0.55 8.24 8.81 1k7iA1 VAL 295 HA 0.39 0.16 0.71 -0.75 4.13 4.63 1k7iA1 VAL 295 HB -0.15 -0.02 -0.03 -0.04 2.12 1.88 1k7iA1 VAL 295 HG13 0.17 0.05 0.07 -0.04 0.97 1.22 1k7iA1 VAL 295 HG23 -0.75 -0.00 -0.32 -0.04 0.95 -0.17 1k7iA1 TRP 296 H 0.39 0.26 0.17 -0.55 7.97 8.24 1k7iA1 TRP 296 HA 0.07 0.11 0.76 -0.75 4.62 4.80 1k7iA1 TRP 296 HB2 0.13 -0.03 -0.03 -0.04 3.23 3.26 1k7iA1 TRP 296 HB3 0.18 -0.00 0.05 -0.04 3.23 3.41 1k7iA1 TRP 296 HD1 0.12 0.04 -0.17 -0.04 7.22 7.17 1k7iA1 TRP 296 HE1 0.08 0.44 0.13 -0.04 10.20 10.82 1k7iA1 TRP 296 HE3 0.08 -0.08 -0.05 -0.04 7.59 7.50 1k7iA1 TRP 296 HZ2 0.06 -0.03 -0.24 -0.04 7.44 7.19 1k7iA1 TRP 296 HZ3 0.06 0.15 -0.09 -0.04 7.13 7.20 1k7iA1 TRP 296 HH2 0.05 -0.04 -0.05 -0.04 7.19 7.11 1k7iA1 ASP 297 H -0.99 0.29 0.03 -0.55 8.40 7.19 1k7iA1 ASP 297 HA -0.32 0.18 0.65 -0.75 4.63 4.39 1k7iA1 ASP 297 HB2 -0.15 -0.05 -0.34 -0.04 2.71 2.13 1k7iA1 ASP 297 HB3 -0.27 -0.07 -0.07 -0.04 2.70 2.25 1k7iA1 ALA 298 H -0.27 0.62 0.10 -0.55 8.40 8.29 1k7iA1 ALA 298 HA -0.43 0.18 0.95 -0.75 4.34 4.28 1k7iA1 ALA 298 HB3 -0.05 0.04 0.00 -0.04 1.41 1.36 1k7iA1 GLY 299 H -0.16 0.24 -0.05 -0.55 8.43 7.91 1k7iA1 GLY 299 HA2 -0.09 -0.04 0.34 -0.51 4.01 3.71 1k7iA1 GLY 299 HA3 -0.06 0.10 0.64 -0.51 4.01 4.18 1k7iA1 GLY 300 H -0.05 0.01 0.14 -0.55 8.43 7.98 1k7iA1 GLY 300 HA2 -0.04 -0.08 0.28 -0.51 4.01 3.67 1k7iA1 GLY 300 HA3 -0.05 0.33 0.33 -0.51 4.01 4.11 1k7iA1 THR 301 H -0.04 0.11 0.07 -0.55 8.28 7.88 1k7iA1 THR 301 HA -0.05 0.14 0.87 -0.75 4.39 4.60 1k7iA1 THR 301 HB -0.03 -0.04 0.17 -0.04 4.32 4.38 1k7iA1 THR 301 HG23 -0.03 0.01 -0.09 -0.04 1.22 1.07 1k7iA1 ASP 302 H -0.05 0.12 0.22 -0.55 8.40 8.14 1k7iA1 ASP 302 HA -0.02 0.28 1.01 -0.75 4.63 5.14 1k7iA1 ASP 302 HB2 -0.05 -0.13 0.10 -0.04 2.71 2.60 1k7iA1 ASP 302 HB3 0.13 0.10 0.09 -0.04 2.70 2.98 1k7iA1 THR 303 H 0.04 0.74 0.41 -0.55 8.28 8.92 1k7iA1 THR 303 HA -0.02 0.25 1.06 -0.75 4.39 4.92 1k7iA1 THR 303 HB -0.01 -0.01 -0.00 -0.04 4.32 4.26 1k7iA1 THR 303 HG23 -0.01 -0.03 -0.45 -0.04 1.22 0.70 1k7iA1 PHE 304 H 0.04 0.67 0.21 -0.55 8.34 8.71 1k7iA1 PHE 304 HA -0.21 0.15 0.77 -0.75 4.62 4.57 1k7iA1 PHE 304 HB2 -0.18 0.07 0.26 -0.04 3.15 3.27 1k7iA1 PHE 304 HB3 -0.99 -0.06 0.03 -0.04 3.06 2.00 1k7iA1 PHE 304 HD2 0.16 -0.01 -0.16 -0.04 7.28 7.23 1k7iA1 PHE 304 HE2 -0.04 0.04 -0.16 -0.04 7.38 7.18 1k7iA1 PHE 304 HZ 0.13 0.03 -0.17 -0.04 7.32 7.26 1k7iA1 ASP 305 H -0.09 0.75 0.17 -0.55 8.40 8.68 1k7iA1 ASP 305 HA -0.05 0.09 0.84 -0.75 4.63 4.76 1k7iA1 ASP 305 HB2 0.01 0.00 -0.06 -0.04 2.71 2.62 1k7iA1 ASP 305 HB3 0.07 0.22 0.14 -0.04 2.70 3.10 1k7iA1 PHE 306 H 0.05 0.68 0.17 -0.55 8.34 8.68 1k7iA1 PHE 306 HA 0.39 0.07 0.82 -0.75 4.62 5.15 1k7iA1 PHE 306 HB2 0.21 0.17 0.12 -0.04 3.15 3.61 1k7iA1 PHE 306 HB3 0.41 -0.14 0.15 -0.04 3.06 3.44 1k7iA1 PHE 306 HD2 0.20 0.04 -0.14 -0.04 7.28 7.33 1k7iA1 PHE 306 HE2 0.06 0.02 -0.20 -0.04 7.38 7.22 1k7iA1 PHE 306 HZ -0.90 0.03 -0.16 -0.04 7.32 6.26 1k7iA1 SER 307 H 0.09 0.08 -0.33 -0.55 8.46 7.74 1k7iA1 SER 307 HA -0.01 0.43 0.20 -0.75 4.49 4.36 1k7iA1 SER 307 HB2 -0.10 0.02 0.04 -0.04 3.95 3.87 1k7iA1 SER 307 HB3 -0.03 0.01 0.00 -0.04 3.93 3.87 1k7iA1 GLY 308 H -1.35 0.06 -0.28 -0.55 8.43 6.31 1k7iA1 GLY 308 HA2 -0.59 0.14 0.45 -0.51 4.01 3.50 1k7iA1 GLY 308 HA3 -1.92 -0.03 0.23 -0.51 4.01 1.77 1k7iA1 TYR 309 H -0.11 0.25 -0.40 -0.55 8.29 7.48 1k7iA1 TYR 309 HA 0.03 0.19 0.83 -0.75 4.56 4.85 1k7iA1 TYR 309 HB2 0.08 0.13 0.08 -0.04 3.06 3.31 1k7iA1 TYR 309 HB3 0.05 -0.17 0.09 -0.04 2.98 2.91 1k7iA1 TYR 309 HD2 0.16 0.08 0.05 -0.04 7.15 7.40 1k7iA1 TYR 309 HE2 0.04 0.14 -0.04 -0.04 6.85 6.95 1k7iA1 SER 310 H 0.16 0.13 0.19 -0.55 8.46 8.39 1k7iA1 SER 310 HA 0.05 0.09 0.84 -0.75 4.49 4.71 1k7iA1 SER 310 HB2 0.03 0.03 0.05 -0.04 3.95 4.02 1k7iA1 SER 310 HB3 0.03 0.04 -0.01 -0.04 3.93 3.96 1k7iA1 ASN 311 H 0.07 -0.07 0.02 -0.55 8.53 8.01 1k7iA1 ASN 311 HA -0.00 0.11 0.42 -0.75 4.76 4.54 1k7iA1 ASN 311 HB2 -0.08 -0.11 -0.15 -0.04 2.88 2.50 1k7iA1 ASN 311 HB3 -0.05 0.11 0.04 -0.04 2.79 2.84 1k7iA1 ASN 311 HD21 -0.01 0.08 -0.07 -0.04 7.03 6.99 1k7iA1 ASN 311 HD22 -0.03 0.05 -0.01 -0.04 7.74 7.71 1k7iA1 ASN 312 H -0.02 0.13 0.15 -0.55 8.53 8.24 1k7iA1 ASN 312 HA -0.01 -0.00 0.36 -0.75 4.76 4.35 1k7iA1 ASN 312 HB2 -0.04 -0.06 0.17 -0.04 2.88 2.90 1k7iA1 ASN 312 HB3 -0.05 0.30 0.10 -0.04 2.79 3.10 1k7iA1 ASN 312 HD21 -0.02 -0.01 0.09 -0.04 7.03 7.05 1k7iA1 ASN 312 HD22 -0.03 0.01 0.08 -0.04 7.74 7.76 1k7iA1 GLN 313 H -0.01 0.15 0.04 -0.55 8.47 8.10 1k7iA1 GLN 313 HA -0.08 0.26 1.02 -0.75 4.36 4.81 1k7iA1 GLN 313 HB2 0.07 -0.04 -0.00 -0.04 2.15 2.14 1k7iA1 GLN 313 HB3 0.01 0.15 0.17 -0.04 2.02 2.31 1k7iA1 GLN 313 HG2 -0.05 -0.14 -0.23 -0.04 2.40 1.94 1k7iA1 GLN 313 HG3 0.05 0.23 -0.19 -0.04 2.39 2.44 1k7iA1 GLN 313 HE21 0.38 0.47 0.12 -0.04 6.97 7.91 1k7iA1 GLN 313 HE22 0.18 -0.08 0.04 -0.04 7.69 7.79 1k7iA1 ARG 314 H -0.10 0.56 0.34 -0.55 8.46 8.71 1k7iA1 ARG 314 HA -0.34 0.20 1.00 -0.75 4.34 4.45 1k7iA1 ARG 314 HB2 -0.53 -0.14 0.27 -0.04 1.90 1.46 1k7iA1 ARG 314 HB3 -2.12 0.07 0.10 -0.04 1.80 -0.19 1k7iA1 ARG 314 HG2 -0.42 0.09 -0.07 -0.04 1.67 1.22 1k7iA1 ARG 314 HG3 -0.32 -0.02 -0.18 -0.04 1.67 1.11 1k7iA1 ARG 314 HD2 -0.82 0.04 0.02 -0.04 3.22 2.41 1k7iA1 ARG 314 HD3 -0.34 0.00 -0.03 -0.04 3.22 2.82 1k7iA1 ILE 315 H 0.09 0.82 0.34 -0.55 8.25 8.95 1k7iA1 ILE 315 HA 0.40 0.08 0.94 -0.75 4.18 4.85 1k7iA1 ILE 315 HB 0.27 -0.02 0.11 -0.04 1.89 2.21 1k7iA1 ILE 315 HG12 0.45 0.01 -0.21 -0.04 1.49 1.71 1k7iA1 ILE 315 HG13 0.21 -0.12 -0.42 -0.04 1.21 0.84 1k7iA1 ILE 315 HG23 0.50 0.01 -0.22 -0.04 0.93 1.18 1k7iA1 ILE 315 HD13 0.38 0.00 -0.17 -0.04 0.88 1.05 1k7iA1 ASN 316 H 0.41 0.22 0.04 -0.55 8.53 8.66 1k7iA1 ASN 316 HA 0.22 0.21 0.98 -0.75 4.76 5.42 1k7iA1 ASN 316 HB2 -0.33 0.03 -0.10 -0.04 2.88 2.45 1k7iA1 ASN 316 HB3 0.04 0.04 -0.06 -0.04 2.79 2.77 1k7iA1 ASN 316 HD21 -0.17 0.01 0.02 -0.04 7.03 6.85 1k7iA1 ASN 316 HD22 -0.50 0.13 -0.01 -0.04 7.74 7.32 1k7iA1 LEU 317 H 0.09 0.68 0.17 -0.55 8.37 8.76 1k7iA1 LEU 317 HA -0.06 0.13 0.64 -0.75 4.35 4.31 1k7iA1 LEU 317 HB2 -0.00 -0.05 -0.00 -0.04 1.64 1.54 1k7iA1 LEU 317 HB3 -0.11 0.13 0.06 -0.04 1.64 1.68 1k7iA1 LEU 317 HG 0.05 0.06 -0.23 -0.04 1.64 1.47 1k7iA1 LEU 317 HD13 -0.05 -0.04 -0.44 -0.04 0.93 0.36 1k7iA1 LEU 317 HD23 -0.24 -0.01 -0.32 -0.04 0.89 0.28 1k7iA1 ASN 318 H 0.02 0.05 -0.29 -0.55 8.53 7.76 1k7iA1 ASN 318 HA 0.00 -0.02 0.53 -0.75 4.76 4.52 1k7iA1 ASN 318 HB2 0.00 -0.01 0.04 -0.04 2.88 2.87 1k7iA1 ASN 318 HB3 0.02 0.12 -0.01 -0.04 2.79 2.87 1k7iA1 ASN 318 HD21 0.07 0.08 0.04 -0.04 7.03 7.19 1k7iA1 ASN 318 HD22 0.02 -0.05 -0.01 -0.04 7.74 7.66 1k7iA1 GLU 319 H -0.00 0.04 0.23 -0.55 8.60 8.33 1k7iA1 GLU 319 HA 0.01 0.10 0.44 -0.75 4.29 4.09 1k7iA1 GLU 319 HB2 0.01 -0.04 0.16 -0.04 2.09 2.17 1k7iA1 GLU 319 HB3 -0.03 0.31 0.28 -0.04 1.99 2.51 1k7iA1 GLU 319 HG2 0.01 -0.04 0.17 -0.04 2.34 2.44 1k7iA1 GLU 319 HG3 0.06 0.00 -0.00 -0.04 2.34 2.36 1k7iA1 GLY 320 H 0.06 0.65 0.17 -0.55 8.43 8.77 1k7iA1 GLY 320 HA2 0.09 -0.04 0.39 -0.51 4.01 3.94 1k7iA1 GLY 320 HA3 0.12 -0.02 0.49 -0.51 4.01 4.09 1k7iA1 SER 321 H 0.02 0.38 -0.37 -0.55 8.46 7.95 1k7iA1 SER 321 HA 0.12 0.19 0.72 -0.75 4.49 4.76 1k7iA1 SER 321 HB2 -0.00 0.03 0.07 -0.04 3.95 4.01 1k7iA1 SER 321 HB3 0.02 -0.02 -0.08 -0.04 3.93 3.81 1k7iA1 PHE 322 H 0.29 0.23 0.20 -0.55 8.34 8.51 1k7iA1 PHE 322 HA 0.08 0.32 1.13 -0.75 4.62 5.39 1k7iA1 PHE 322 HB2 0.01 0.03 0.07 -0.04 3.15 3.21 1k7iA1 PHE 322 HB3 0.06 -0.09 0.01 -0.04 3.06 3.00 1k7iA1 PHE 322 HD2 -0.07 0.03 -0.08 -0.04 7.28 7.12 1k7iA1 PHE 322 HE2 -0.12 0.06 -0.04 -0.04 7.38 7.24 1k7iA1 PHE 322 HZ -0.53 -0.06 -0.05 -0.04 7.32 6.64 1k7iA1 SER 323 H 0.24 0.64 0.40 -0.55 8.46 9.19 1k7iA1 SER 323 HA 0.58 0.23 0.97 -0.75 4.49 5.51 1k7iA1 SER 323 HB2 0.13 -0.07 0.04 -0.04 3.95 4.01 1k7iA1 SER 323 HB3 0.24 0.16 0.21 -0.04 3.93 4.49 1k7iA1 ASP 324 H 0.14 0.68 0.37 -0.55 8.40 9.04 1k7iA1 ASP 324 HA 0.07 -0.05 0.94 -0.75 4.63 4.84 1k7iA1 ASP 324 HB2 -0.09 -0.10 0.34 -0.04 2.71 2.83 1k7iA1 ASP 324 HB3 -0.02 0.19 0.19 -0.04 2.70 3.02 1k7iA1 VAL 325 H -0.15 0.15 0.03 -0.55 8.24 7.73 1k7iA1 VAL 325 HA -0.22 0.14 0.99 -0.75 4.13 4.29 1k7iA1 VAL 325 HB -0.48 0.04 -0.03 -0.04 2.12 1.61 1k7iA1 VAL 325 HG13 -0.75 0.01 -0.15 -0.04 0.97 0.04 1k7iA1 VAL 325 HG23 -0.52 0.00 -0.28 -0.04 0.95 0.11 1k7iA1 GLY 326 H -0.42 0.17 0.10 -0.55 8.43 7.74 1k7iA1 GLY 326 HA2 -1.14 -0.04 0.32 -0.51 4.01 2.65 1k7iA1 GLY 326 HA3 -1.58 0.12 0.36 -0.51 4.01 2.40 1k7iA1 GLY 327 H -0.21 0.14 -0.29 -0.55 8.43 7.52 1k7iA1 GLY 327 HA2 -0.09 -0.01 0.29 -0.51 4.01 3.69 1k7iA1 GLY 327 HA3 -0.11 0.12 0.55 -0.51 4.01 4.06 1k7iA1 LEU 328 H -0.17 0.37 -0.47 -0.55 8.37 7.56 1k7iA1 LEU 328 HA 0.01 0.16 0.78 -0.75 4.35 4.55 1k7iA1 LEU 328 HB2 -0.12 0.09 0.10 -0.04 1.64 1.68 1k7iA1 LEU 328 HB3 0.08 0.00 0.18 -0.04 1.64 1.86 1k7iA1 LEU 328 HG 0.03 -0.05 -0.07 -0.04 1.64 1.51 1k7iA1 LEU 328 HD13 -0.13 -0.03 -0.13 -0.04 0.93 0.59 1k7iA1 LEU 328 HD23 -0.11 -0.00 0.00 -0.04 0.89 0.74 1k7iA1 LYS 329 H 0.12 0.50 0.31 -0.55 8.42 8.80 1k7iA1 LYS 329 HA 0.12 0.14 1.07 -0.75 4.32 4.90 1k7iA1 LYS 329 HB2 0.07 -0.12 0.16 -0.04 1.87 1.94 1k7iA1 LYS 329 HB3 0.17 0.11 0.05 -0.04 1.79 2.08 1k7iA1 LYS 329 HG2 0.05 0.05 -0.10 -0.04 1.46 1.42 1k7iA1 LYS 329 HG3 0.03 0.00 -0.26 -0.04 1.46 1.20 1k7iA1 LYS 329 HD2 0.03 -0.02 -0.05 -0.04 1.69 1.62 1k7iA1 LYS 329 HD3 0.08 0.06 -0.01 -0.04 1.68 1.77 1k7iA1 LYS 329 HE2 0.01 -0.00 -0.03 -0.04 2.99 2.93 1k7iA1 LYS 329 HE3 0.01 0.00 -0.04 -0.04 2.99 2.92 1k7iA1 GLY 330 H 0.30 0.21 0.12 -0.55 8.43 8.51 1k7iA1 GLY 330 HA2 0.30 0.11 0.31 -0.51 4.01 4.22 1k7iA1 GLY 330 HA3 0.00 0.03 0.36 -0.51 4.01 3.89 1k7iA1 ASN 331 H 0.09 0.06 -0.15 -0.55 8.53 7.98 1k7iA1 ASN 331 HA -0.19 0.12 0.63 -0.75 4.76 4.57 1k7iA1 ASN 331 HB2 -0.45 0.21 0.25 -0.04 2.88 2.85 1k7iA1 ASN 331 HB3 -0.19 -0.07 -0.03 -0.04 2.79 2.46 1k7iA1 ASN 331 HD21 -0.31 -0.02 0.06 -0.04 7.03 6.71 1k7iA1 ASN 331 HD22 -0.31 0.59 0.15 -0.04 7.74 8.13 1k7iA1 VAL 332 H -0.04 0.23 0.04 -0.55 8.24 7.93 1k7iA1 VAL 332 HA -0.55 0.39 1.10 -0.75 4.13 4.31 1k7iA1 VAL 332 HB -0.28 -0.12 0.01 -0.04 2.12 1.69 1k7iA1 VAL 332 HG13 -0.37 0.01 -0.20 -0.04 0.97 0.37 1k7iA1 VAL 332 HG23 -1.04 -0.00 -0.23 -0.04 0.95 -0.36 1k7iA1 SER 333 H -0.19 0.53 0.43 -0.55 8.46 8.68 1k7iA1 SER 333 HA -0.28 0.43 0.90 -0.75 4.49 4.78 1k7iA1 SER 333 HB2 -0.86 0.07 -0.03 -0.04 3.95 3.10 1k7iA1 SER 333 HB3 -1.50 0.02 -0.17 -0.04 3.93 2.24 1k7iA1 ILE 334 H -0.09 0.46 0.16 -0.55 8.25 8.24 1k7iA1 ILE 334 HA 0.13 0.08 0.96 -0.75 4.18 4.60 1k7iA1 ILE 334 HB 0.03 -0.00 0.14 -0.04 1.89 2.01 1k7iA1 ILE 334 HG12 0.19 -0.03 -0.14 -0.04 1.49 1.47 1k7iA1 ILE 334 HG13 0.23 -0.05 -0.33 -0.04 1.21 1.03 1k7iA1 ILE 334 HG23 -0.01 0.05 -0.13 -0.04 0.93 0.80 1k7iA1 ILE 334 HD13 -0.09 0.03 -0.20 -0.04 0.88 0.57 1k7iA1 ALA 335 H 0.17 0.53 0.13 -0.55 8.40 8.68 1k7iA1 ALA 335 HA 0.17 -0.04 0.40 -0.75 4.34 4.12 1k7iA1 ALA 335 HB3 0.36 0.03 -0.01 -0.04 1.41 1.75 1k7iA1 HIS 336 H 0.29 0.08 0.17 -0.55 8.41 8.40 1k7iA1 HIS 336 HA 0.11 0.02 0.53 -0.75 4.63 4.54 1k7iA1 HIS 336 HB2 0.11 -0.03 0.14 -0.04 3.26 3.44 1k7iA1 HIS 336 HB3 0.13 0.01 0.12 -0.04 3.20 3.42 1k7iA1 HIS 336 HD2 0.07 0.03 0.02 -0.04 6.97 7.04 1k7iA1 HIS 336 HE1 0.07 0.03 -0.04 -0.04 7.75 7.77 1k7iA1 GLY 337 H -0.40 0.09 0.20 -0.55 8.43 7.78 1k7iA1 GLY 337 HA2 -0.19 -0.02 0.30 -0.51 4.01 3.59 1k7iA1 GLY 337 HA3 0.10 0.16 0.62 -0.51 4.01 4.37 1k7iA1 VAL 338 H -0.05 0.16 0.01 -0.55 8.24 7.81 1k7iA1 VAL 338 HA -0.24 0.29 0.98 -0.75 4.13 4.41 1k7iA1 VAL 338 HB -0.04 0.07 -0.00 -0.04 2.12 2.11 1k7iA1 VAL 338 HG13 -0.21 0.01 -0.25 -0.04 0.97 0.48 1k7iA1 VAL 338 HG23 -0.19 0.07 -0.20 -0.04 0.95 0.59 1k7iA1 THR 339 H -0.17 0.30 0.08 -0.55 8.28 7.94 1k7iA1 THR 339 HA -0.10 0.18 1.01 -0.75 4.39 4.72 1k7iA1 THR 339 HB -0.09 0.04 0.11 -0.04 4.32 4.33 1k7iA1 THR 339 HG23 -0.07 -0.02 -0.18 -0.04 1.22 0.91 1k7iA1 ILE 340 H -0.15 0.31 0.09 -0.55 8.25 7.94 1k7iA1 ILE 340 HA -0.18 0.09 0.76 -0.75 4.18 4.10 1k7iA1 ILE 340 HB -0.43 0.06 0.02 -0.04 1.89 1.51 1k7iA1 ILE 340 HG12 -0.23 -0.02 -0.27 -0.04 1.49 0.92 1k7iA1 ILE 340 HG13 -0.51 -0.00 -0.15 -0.04 1.21 0.50 1k7iA1 ILE 340 HG23 -0.70 -0.01 -0.23 -0.04 0.93 -0.04 1k7iA1 ILE 340 HD13 -0.22 0.03 -0.22 -0.04 0.88 0.43 1k7iA1 GLU 341 H -0.11 0.13 0.23 -0.55 8.60 8.30 1k7iA1 GLU 341 HA -0.07 0.17 0.85 -0.75 4.29 4.48 1k7iA1 GLU 341 HB2 -0.05 -0.04 0.21 -0.04 2.09 2.17 1k7iA1 GLU 341 HB3 -0.03 0.07 0.05 -0.04 1.99 2.03 1k7iA1 GLU 341 HG2 -0.04 0.01 0.04 -0.04 2.34 2.30 1k7iA1 GLU 341 HG3 -0.05 -0.02 -0.11 -0.04 2.34 2.12 1k7iA1 ASN 342 H -0.08 0.66 0.40 -0.55 8.53 8.96 1k7iA1 ASN 342 HA -0.01 0.22 1.13 -0.75 4.76 5.35 1k7iA1 ASN 342 HB2 -0.02 -0.09 0.01 -0.04 2.88 2.75 1k7iA1 ASN 342 HB3 0.01 0.13 0.15 -0.04 2.79 3.03 1k7iA1 ASN 342 HD21 -0.01 -0.00 -0.13 -0.04 7.03 6.84 1k7iA1 ASN 342 HD22 -0.02 -0.01 -0.20 -0.04 7.74 7.47 1k7iA1 ALA 343 H 0.04 0.58 0.37 -0.55 8.40 8.84 1k7iA1 ALA 343 HA 0.03 0.14 0.85 -0.75 4.34 4.60 1k7iA1 ALA 343 HB3 0.11 0.01 -0.13 -0.04 1.41 1.35 1k7iA1 ILE 344 H 0.00 0.63 0.33 -0.55 8.25 8.66 1k7iA1 ILE 344 HA 0.06 0.23 1.05 -0.75 4.18 4.77 1k7iA1 ILE 344 HB 0.01 -0.22 0.22 -0.04 1.89 1.86 1k7iA1 ILE 344 HG12 0.00 0.06 -0.12 -0.04 1.49 1.39 1k7iA1 ILE 344 HG13 0.00 -0.08 -0.41 -0.04 1.21 0.67 1k7iA1 ILE 344 HG23 0.01 0.08 -0.05 -0.04 0.93 0.93 1k7iA1 ILE 344 HD13 -0.02 -0.01 -0.10 -0.04 0.88 0.71 1k7iA1 GLY 345 H 0.09 0.70 0.19 -0.55 8.43 8.86 1k7iA1 GLY 345 HA2 0.20 -0.03 0.50 -0.51 4.01 4.16 1k7iA1 GLY 345 HA3 0.11 0.12 0.32 -0.51 4.01 4.04 1k7iA1 GLY 346 H 0.11 -0.03 0.08 -0.55 8.43 8.05 1k7iA1 GLY 346 HA2 0.02 0.17 0.88 -0.51 4.01 4.57 1k7iA1 GLY 346 HA3 0.09 0.06 0.45 -0.51 4.01 4.10 1k7iA1 SER 347 H 0.02 0.48 0.30 -0.55 8.46 8.72 1k7iA1 SER 347 HA 0.01 0.14 0.63 -0.75 4.49 4.51 1k7iA1 SER 347 HB2 0.00 -0.07 0.11 -0.04 3.95 3.94 1k7iA1 SER 347 HB3 -0.01 -0.03 0.09 -0.04 3.93 3.94 1k7iA1 GLY 348 H 0.04 -0.04 -0.38 -0.55 8.43 7.50 1k7iA1 GLY 348 HA2 0.01 0.07 0.40 -0.51 4.01 3.98 1k7iA1 GLY 348 HA3 0.01 0.05 -0.16 -0.51 4.01 3.40 1k7iA1 ASN 349 H -0.01 0.08 0.07 -0.55 8.53 8.13 1k7iA1 ASN 349 HA -0.01 0.17 0.54 -0.75 4.76 4.70 1k7iA1 ASN 349 HB2 -0.02 -0.09 0.27 -0.04 2.88 2.99 1k7iA1 ASN 349 HB3 -0.02 0.26 0.20 -0.04 2.79 3.19 1k7iA1 ASN 349 HD21 -0.01 -0.01 0.07 -0.04 7.03 7.04 1k7iA1 ASN 349 HD22 -0.01 -0.00 0.10 -0.04 7.74 7.78 1k7iA1 ASP 350 H -0.00 0.31 -0.03 -0.55 8.40 8.13 1k7iA1 ASP 350 HA -0.04 0.27 0.98 -0.75 4.63 5.09 1k7iA1 ASP 350 HB2 0.03 0.03 -0.06 -0.04 2.71 2.67 1k7iA1 ASP 350 HB3 0.03 0.00 0.05 -0.04 2.70 2.74 1k7iA1 ILE 351 H -0.07 0.57 0.39 -0.55 8.25 8.58 1k7iA1 ILE 351 HA -0.02 0.22 1.02 -0.75 4.18 4.64 1k7iA1 ILE 351 HB -0.31 -0.07 0.26 -0.04 1.89 1.72 1k7iA1 ILE 351 HG12 -0.06 0.01 -0.02 -0.04 1.49 1.38 1k7iA1 ILE 351 HG13 -0.12 0.03 -0.23 -0.04 1.21 0.84 1k7iA1 ILE 351 HG23 0.01 0.01 -0.16 -0.04 0.93 0.74 1k7iA1 ILE 351 HD13 -0.15 -0.01 -0.07 -0.04 0.88 0.61 1k7iA1 LEU 352 H 0.07 0.73 0.33 -0.55 8.37 8.95 1k7iA1 LEU 352 HA 0.17 0.21 1.04 -0.75 4.35 5.02 1k7iA1 LEU 352 HB2 0.10 -0.03 0.07 -0.04 1.64 1.74 1k7iA1 LEU 352 HB3 0.13 0.00 -0.11 -0.04 1.64 1.62 1k7iA1 LEU 352 HG 0.16 0.01 -0.14 -0.04 1.64 1.63 1k7iA1 LEU 352 HD13 0.08 -0.01 -0.41 -0.04 0.93 0.55 1k7iA1 LEU 352 HD23 0.11 -0.01 -0.30 -0.04 0.89 0.65 1k7iA1 VAL 353 H 0.26 0.82 0.33 -0.55 8.24 9.10 1k7iA1 VAL 353 HA 0.27 0.16 1.09 -0.75 4.13 4.89 1k7iA1 VAL 353 HB 0.24 -0.03 0.20 -0.04 2.12 2.49 1k7iA1 VAL 353 HG13 0.20 0.04 -0.07 -0.04 0.97 1.10 1k7iA1 VAL 353 HG23 0.27 -0.02 -0.19 -0.04 0.95 0.97 1k7iA1 GLY 354 H 0.14 0.71 0.26 -0.55 8.43 8.99 1k7iA1 GLY 354 HA2 0.05 0.03 0.59 -0.51 4.01 4.17 1k7iA1 GLY 354 HA3 0.02 0.17 0.40 -0.51 4.01 4.10 1k7iA1 ASN 355 H -0.00 0.18 0.11 -0.55 8.53 8.27 1k7iA1 ASN 355 HA 0.04 0.14 0.79 -0.75 4.76 4.97 1k7iA1 ASN 355 HB2 -0.00 -0.20 0.20 -0.04 2.88 2.83 1k7iA1 ASN 355 HB3 0.00 0.02 -0.25 -0.04 2.79 2.52 1k7iA1 ASN 355 HD21 -0.07 0.38 0.11 -0.04 7.03 7.41 1k7iA1 ASN 355 HD22 -0.05 0.36 0.02 -0.04 7.74 8.03 1k7iA1 SER 356 H 0.01 0.08 0.14 -0.55 8.46 8.14 1k7iA1 SER 356 HA 0.00 0.12 0.43 -0.75 4.49 4.29 1k7iA1 SER 356 HB2 0.01 -0.01 0.08 -0.04 3.95 3.99 1k7iA1 SER 356 HB3 0.02 -0.04 0.10 -0.04 3.93 3.97 1k7iA1 ALA 357 H -0.02 -0.08 -0.35 -0.55 8.40 7.41 1k7iA1 ALA 357 HA -0.02 0.06 0.46 -0.75 4.34 4.09 1k7iA1 ALA 357 HB3 -0.03 -0.00 -0.02 -0.04 1.41 1.32 1k7iA1 ASP 358 H -0.02 0.07 0.11 -0.55 8.40 8.01 1k7iA1 ASP 358 HA -0.01 0.13 0.44 -0.75 4.63 4.43 1k7iA1 ASP 358 HB2 -0.01 -0.10 0.19 -0.04 2.71 2.75 1k7iA1 ASP 358 HB3 -0.00 0.25 0.11 -0.04 2.70 3.01 1k7iA1 ASN 359 H 0.00 0.21 0.09 -0.55 8.53 8.29 1k7iA1 ASN 359 HA 0.00 0.28 1.01 -0.75 4.76 5.30 1k7iA1 ASN 359 HB2 0.02 -0.11 0.03 -0.04 2.88 2.78 1k7iA1 ASN 359 HB3 0.02 0.06 0.05 -0.04 2.79 2.88 1k7iA1 ASN 359 HD21 -0.03 -0.19 -0.12 -0.04 7.03 6.65 1k7iA1 ASN 359 HD22 -0.03 0.33 0.03 -0.04 7.74 8.03 1k7iA1 ILE 360 H 0.03 0.28 0.17 -0.55 8.25 8.18 1k7iA1 ILE 360 HA 0.12 0.31 1.10 -0.75 4.18 4.95 1k7iA1 ILE 360 HB 0.05 -0.06 0.15 -0.04 1.89 1.99 1k7iA1 ILE 360 HG12 0.10 0.03 -0.02 -0.04 1.49 1.55 1k7iA1 ILE 360 HG13 0.04 0.01 -0.18 -0.04 1.21 1.04 1k7iA1 ILE 360 HG23 0.16 -0.00 -0.12 -0.04 0.93 0.93 1k7iA1 ILE 360 HD13 0.04 -0.01 -0.05 -0.04 0.88 0.82 1k7iA1 LEU 361 H 0.16 0.52 0.30 -0.55 8.37 8.80 1k7iA1 LEU 361 HA 0.11 0.26 1.06 -0.75 4.35 5.02 1k7iA1 LEU 361 HB2 0.16 -0.09 0.06 -0.04 1.64 1.72 1k7iA1 LEU 361 HB3 0.13 0.01 -0.07 -0.04 1.64 1.66 1k7iA1 LEU 361 HG 0.08 0.02 -0.31 -0.04 1.64 1.39 1k7iA1 LEU 361 HD13 0.09 -0.00 -0.24 -0.04 0.93 0.74 1k7iA1 LEU 361 HD23 0.08 0.02 -0.23 -0.04 0.89 0.71 1k7iA1 GLN 362 H 0.10 0.65 0.32 -0.55 8.47 8.99 1k7iA1 GLN 362 HA 0.21 0.21 1.04 -0.75 4.36 5.07 1k7iA1 GLN 362 HB2 0.04 -0.01 0.24 -0.04 2.15 2.38 1k7iA1 GLN 362 HB3 0.03 -0.04 0.02 -0.04 2.02 2.00 1k7iA1 GLN 362 HG2 -0.05 -0.01 -0.10 -0.04 2.40 2.21 1k7iA1 GLN 362 HG3 0.04 0.01 -0.31 -0.04 2.39 2.09 1k7iA1 GLN 362 HE21 -0.10 -0.00 -0.09 -0.04 6.97 6.74 1k7iA1 GLN 362 HE22 -0.05 0.03 -0.13 -0.04 7.69 7.49 1k7iA1 GLY 363 H 0.14 0.69 0.19 -0.55 8.43 8.91 1k7iA1 GLY 363 HA2 0.07 -0.10 0.39 -0.51 4.01 3.86 1k7iA1 GLY 363 HA3 0.06 0.13 0.30 -0.51 4.01 3.99 1k7iA1 GLY 364 H 0.07 -0.13 -0.23 -0.55 8.43 7.59 1k7iA1 GLY 364 HA2 0.02 -0.17 0.24 -0.51 4.01 3.59 1k7iA1 GLY 364 HA3 0.03 0.26 0.43 -0.51 4.01 4.22 1k7iA1 ALA 365 H 0.01 -0.03 0.09 -0.55 8.40 7.92 1k7iA1 ALA 365 HA 0.01 0.06 0.48 -0.75 4.34 4.13 1k7iA1 ALA 365 HB3 0.00 -0.07 0.13 -0.04 1.41 1.44 1k7iA1 GLY 366 H 0.00 -0.13 0.02 -0.55 8.43 7.78 1k7iA1 GLY 366 HA2 -0.00 -0.16 0.29 -0.51 4.01 3.63 1k7iA1 GLY 366 HA3 0.00 0.43 0.40 -0.51 4.01 4.33 1k7iA1 ASN 367 H -0.01 0.07 0.07 -0.55 8.53 8.11 1k7iA1 ASN 367 HA -0.03 0.10 0.59 -0.75 4.76 4.67 1k7iA1 ASN 367 HB2 -0.02 -0.07 0.23 -0.04 2.88 2.99 1k7iA1 ASN 367 HB3 -0.02 0.28 0.16 -0.04 2.79 3.17 1k7iA1 ASN 367 HD21 -0.01 -0.01 0.05 -0.04 7.03 7.02 1k7iA1 ASN 367 HD22 -0.01 0.02 0.09 -0.04 7.74 7.79 1k7iA1 ASP 368 H -0.05 0.21 0.03 -0.55 8.40 8.05 1k7iA1 ASP 368 HA -0.03 0.31 1.03 -0.75 4.63 5.18 1k7iA1 ASP 368 HB2 -0.05 -0.05 -0.03 -0.04 2.71 2.54 1k7iA1 ASP 368 HB3 -0.02 -0.05 -0.06 -0.04 2.70 2.54 1k7iA1 VAL 369 H -0.03 0.72 0.38 -0.55 8.24 8.76 1k7iA1 VAL 369 HA -0.08 0.19 1.06 -0.75 4.13 4.55 1k7iA1 VAL 369 HB -0.02 0.01 0.25 -0.04 2.12 2.32 1k7iA1 VAL 369 HG13 0.02 -0.01 -0.11 -0.04 0.97 0.83 1k7iA1 VAL 369 HG23 -0.02 -0.00 -0.07 -0.04 0.95 0.82 1k7iA1 LEU 370 H -0.11 0.67 0.40 -0.55 8.37 8.79 1k7iA1 LEU 370 HA 0.08 0.28 1.09 -0.75 4.35 5.05 1k7iA1 LEU 370 HB2 -0.03 -0.03 0.06 -0.04 1.64 1.60 1k7iA1 LEU 370 HB3 0.16 -0.01 -0.07 -0.04 1.64 1.67 1k7iA1 LEU 370 HG 0.10 0.03 -0.11 -0.04 1.64 1.62 1k7iA1 LEU 370 HD13 -0.03 0.02 -0.44 -0.04 0.93 0.44 1k7iA1 LEU 370 HD23 0.23 -0.01 -0.24 -0.04 0.89 0.82 1k7iA1 TYR 371 H 0.17 0.69 0.29 -0.55 8.29 8.89 1k7iA1 TYR 371 HA -0.07 0.18 0.97 -0.75 4.56 4.88 1k7iA1 TYR 371 HB2 -0.01 -0.04 -0.08 -0.04 3.06 2.89 1k7iA1 TYR 371 HB3 0.03 0.07 0.21 -0.04 2.98 3.24 1k7iA1 TYR 371 HD2 -0.01 0.03 -0.07 -0.04 7.15 7.05 1k7iA1 TYR 371 HE2 0.01 -0.07 -0.07 -0.04 6.85 6.68 1k7iA1 GLY 372 H -0.31 0.20 0.14 -0.55 8.43 7.92 1k7iA1 GLY 372 HA2 -0.08 0.02 0.48 -0.51 4.01 3.92 1k7iA1 GLY 372 HA3 -0.14 0.08 0.33 -0.51 4.01 3.77 1k7iA1 GLY 373 H -0.94 -0.10 -0.00 -0.55 8.43 6.84 1k7iA1 GLY 373 HA2 -0.54 -0.16 0.23 -0.51 4.01 3.04 1k7iA1 GLY 373 HA3 -0.24 0.19 0.45 -0.51 4.01 3.89 1k7iA1 ALA 374 H -0.01 -0.04 0.03 -0.55 8.40 7.82 1k7iA1 ALA 374 HA 0.02 0.13 0.50 -0.75 4.34 4.24 1k7iA1 ALA 374 HB3 0.03 -0.07 0.10 -0.04 1.41 1.43 1k7iA1 GLY 375 H 0.00 -0.02 0.16 -0.55 8.43 8.02 1k7iA1 GLY 375 HA2 -0.02 -0.12 0.34 -0.51 4.01 3.70 1k7iA1 GLY 375 HA3 -0.02 0.29 0.39 -0.51 4.01 4.17 1k7iA1 ALA 376 H -0.04 0.03 0.07 -0.55 8.40 7.91 1k7iA1 ALA 376 HA -0.07 0.22 0.48 -0.75 4.34 4.22 1k7iA1 ALA 376 HB3 -0.13 -0.02 0.01 -0.04 1.41 1.23 1k7iA1 ASP 377 H 0.01 0.21 0.15 -0.55 8.40 8.21 1k7iA1 ASP 377 HA 0.04 0.18 0.92 -0.75 4.63 5.01 1k7iA1 ASP 377 HB2 0.04 -0.12 0.08 -0.04 2.71 2.66 1k7iA1 ASP 377 HB3 0.04 0.05 0.12 -0.04 2.70 2.88 1k7iA1 THR 378 H 0.09 0.72 0.41 -0.55 8.28 8.95 1k7iA1 THR 378 HA 0.13 0.19 1.07 -0.75 4.39 5.03 1k7iA1 THR 378 HB 0.14 -0.05 0.19 -0.04 4.32 4.56 1k7iA1 THR 378 HG23 -0.01 -0.02 -0.07 -0.04 1.22 1.08 1k7iA1 LEU 379 H -0.01 0.70 0.42 -0.55 8.37 8.94 1k7iA1 LEU 379 HA 0.18 0.28 1.18 -0.75 4.35 5.23 1k7iA1 LEU 379 HB2 0.05 -0.08 0.13 -0.04 1.64 1.70 1k7iA1 LEU 379 HB3 0.40 -0.00 -0.03 -0.04 1.64 1.97 1k7iA1 LEU 379 HG 0.11 0.08 -0.20 -0.04 1.64 1.58 1k7iA1 LEU 379 HD13 0.22 -0.01 -0.09 -0.04 0.93 1.00 1k7iA1 LEU 379 HD23 0.13 0.03 -0.21 -0.04 0.89 0.79 1k7iA1 TYR 380 H 0.34 0.86 0.36 -0.55 8.29 9.31 1k7iA1 TYR 380 HA 0.18 0.01 0.94 -0.75 4.56 4.93 1k7iA1 TYR 380 HB2 0.09 0.05 0.24 -0.04 3.06 3.39 1k7iA1 TYR 380 HB3 0.09 -0.03 0.02 -0.04 2.98 3.01 1k7iA1 TYR 380 HD2 0.06 0.07 -0.14 -0.04 7.15 7.10 1k7iA1 TYR 380 HE2 0.00 0.06 -0.12 -0.04 6.85 6.75 1k7iA1 GLY 381 H 0.43 0.12 0.04 -0.55 8.43 8.46 1k7iA1 GLY 381 HA2 0.12 0.04 0.44 -0.51 4.01 4.10 1k7iA1 GLY 381 HA3 0.25 0.05 0.26 -0.51 4.01 4.06 1k7iA1 GLY 382 H 0.20 -0.07 -0.08 -0.55 8.43 7.92 1k7iA1 GLY 382 HA2 0.10 -0.07 0.22 -0.51 4.01 3.74 1k7iA1 GLY 382 HA3 0.07 0.24 0.52 -0.51 4.01 4.34 1k7iA1 ALA 383 H 0.03 -0.00 -0.02 -0.55 8.40 7.86 1k7iA1 ALA 383 HA 0.02 0.03 0.46 -0.75 4.34 4.10 1k7iA1 ALA 383 HB3 0.01 -0.03 0.09 -0.04 1.41 1.44 1k7iA1 GLY 384 H -0.00 0.03 0.13 -0.55 8.43 8.04 1k7iA1 GLY 384 HA2 -0.01 -0.08 0.25 -0.51 4.01 3.66 1k7iA1 GLY 384 HA3 -0.01 0.45 0.67 -0.51 4.01 4.61 1k7iA1 ARG 385 H -0.02 0.10 0.01 -0.55 8.46 8.00 1k7iA1 ARG 385 HA -0.04 0.15 0.67 -0.75 4.34 4.37 1k7iA1 ARG 385 HB2 -0.02 -0.08 0.21 -0.04 1.90 1.97 1k7iA1 ARG 385 HB3 -0.02 0.11 0.08 -0.04 1.80 1.94 1k7iA1 ARG 385 HG2 -0.02 0.10 0.01 -0.04 1.67 1.72 1k7iA1 ARG 385 HG3 -0.02 -0.13 -0.02 -0.04 1.67 1.46 1k7iA1 ARG 385 HD2 -0.01 0.05 0.04 -0.04 3.22 3.26 1k7iA1 ARG 385 HD3 -0.01 -0.01 0.03 -0.04 3.22 3.19 1k7iA1 ASP 386 H -0.06 0.17 0.09 -0.55 8.40 8.05 1k7iA1 ASP 386 HA -0.11 0.31 1.02 -0.75 4.63 5.09 1k7iA1 ASP 386 HB2 -0.18 -0.13 0.03 -0.04 2.71 2.39 1k7iA1 ASP 386 HB3 -0.41 0.00 0.05 -0.04 2.70 2.30 1k7iA1 THR 387 H -0.23 0.77 0.44 -0.55 8.28 8.71 1k7iA1 THR 387 HA 0.01 0.28 1.12 -0.75 4.39 5.05 1k7iA1 THR 387 HB -0.02 -0.01 0.15 -0.04 4.32 4.40 1k7iA1 THR 387 HG23 0.11 -0.05 -0.23 -0.04 1.22 1.01 1k7iA1 PHE 388 H 0.35 0.70 0.41 -0.55 8.34 9.24 1k7iA1 PHE 388 HA 0.11 0.22 0.99 -0.75 4.62 5.19 1k7iA1 PHE 388 HB2 0.32 -0.05 0.23 -0.04 3.15 3.61 1k7iA1 PHE 388 HB3 0.20 0.04 0.04 -0.04 3.06 3.30 1k7iA1 PHE 388 HD2 0.26 0.12 -0.04 -0.04 7.28 7.59 1k7iA1 PHE 388 HE2 0.17 -0.04 -0.22 -0.04 7.38 7.25 1k7iA1 PHE 388 HZ 0.13 -0.12 -0.09 -0.04 7.32 7.20 1k7iA1 VAL 389 H 0.10 0.85 0.39 -0.55 8.24 9.04 1k7iA1 VAL 389 HA 0.25 0.08 0.93 -0.75 4.13 4.64 1k7iA1 VAL 389 HB 0.21 0.07 0.06 -0.04 2.12 2.42 1k7iA1 VAL 389 HG13 0.22 -0.03 -0.22 -0.04 0.97 0.90 1k7iA1 VAL 389 HG23 0.12 0.01 -0.22 -0.04 0.95 0.82 1k7iA1 TYR 390 H 0.40 0.55 0.30 -0.55 8.29 8.99 1k7iA1 TYR 390 HA 0.29 0.10 0.89 -0.75 4.56 5.09 1k7iA1 TYR 390 HB2 0.38 0.06 0.13 -0.04 3.06 3.60 1k7iA1 TYR 390 HB3 0.47 -0.01 -0.00 -0.04 2.98 3.39 1k7iA1 TYR 390 HD2 0.31 0.02 -0.13 -0.04 7.15 7.31 1k7iA1 TYR 390 HE2 0.12 0.05 -0.13 -0.04 6.85 6.84 1k7iA1 GLY 391 H 0.39 0.19 0.09 -0.55 8.43 8.55 1k7iA1 GLY 391 HA2 0.27 0.12 0.80 -0.51 4.01 4.69 1k7iA1 GLY 391 HA3 0.34 0.06 0.28 -0.51 4.01 4.18 1k7iA1 SER 392 H 0.21 0.20 -0.03 -0.55 8.46 8.29 1k7iA1 SER 392 HA -0.23 0.20 0.49 -0.75 4.49 4.20 1k7iA1 SER 392 HB2 0.07 0.25 -0.14 -0.04 3.95 4.09 1k7iA1 SER 392 HB3 0.14 -0.02 -0.15 -0.04 3.93 3.86 1k7iA1 GLY 393 H 0.12 0.26 0.10 -0.55 8.43 8.36 1k7iA1 GLY 393 HA2 0.50 0.12 0.41 -0.51 4.01 4.53 1k7iA1 GLY 393 HA3 0.27 0.10 0.28 -0.51 4.01 4.15 1k7iA1 GLN 394 H 0.19 0.04 -0.30 -0.55 8.47 7.86 1k7iA1 GLN 394 HA 0.16 0.12 0.39 -0.75 4.36 4.28 1k7iA1 GLN 394 HB2 0.12 -0.02 -0.05 -0.04 2.15 2.16 1k7iA1 GLN 394 HB3 0.10 0.06 0.05 -0.04 2.02 2.19 1k7iA1 GLN 394 HG2 0.14 -0.08 -0.01 -0.04 2.40 2.40 1k7iA1 GLN 394 HG3 0.10 0.06 -0.01 -0.04 2.39 2.50 1k7iA1 GLN 394 HE21 0.17 0.03 -0.07 -0.04 6.97 7.06 1k7iA1 GLN 394 HE22 0.20 -0.07 -0.13 -0.04 7.69 7.65 1k7iA1 ASP 395 H 0.30 0.25 -0.69 -0.55 8.40 7.72 1k7iA1 ASP 395 HA 0.10 0.13 0.22 -0.75 4.63 4.33 1k7iA1 ASP 395 HB2 0.56 0.15 0.11 -0.04 2.71 3.49 1k7iA1 ASP 395 HB3 0.32 0.06 0.01 -0.04 2.70 3.05 1k7iA1 SER 396 H 0.22 0.18 -0.34 -0.55 8.46 7.98 1k7iA1 SER 396 HA -0.08 0.35 0.80 -0.75 4.49 4.80 1k7iA1 SER 396 HB2 -0.03 -0.02 -0.23 -0.04 3.95 3.63 1k7iA1 SER 396 HB3 -1.17 -0.12 0.11 -0.04 3.93 2.71 1k7iA1 THR 397 H -0.01 0.21 -0.10 -0.55 8.28 7.83 1k7iA1 THR 397 HA 0.01 0.37 0.72 -0.75 4.39 4.74 1k7iA1 THR 397 HB 0.06 -0.07 0.15 -0.04 4.32 4.41 1k7iA1 THR 397 HG23 0.09 0.04 0.03 -0.04 1.22 1.34 1k7iA1 VAL 398 H 0.05 0.34 0.17 -0.55 8.24 8.25 1k7iA1 VAL 398 HA 0.02 0.09 0.33 -0.75 4.13 3.81 1k7iA1 VAL 398 HB 0.10 -0.04 0.09 -0.04 2.12 2.23 1k7iA1 VAL 398 HG13 0.13 0.01 -0.11 -0.04 0.97 0.96 1k7iA1 VAL 398 HG23 0.20 0.03 -0.16 -0.04 0.95 0.98 1k7iA1 ALA 399 H 0.04 0.04 -0.22 -0.55 8.40 7.72 1k7iA1 ALA 399 HA 0.04 0.11 0.38 -0.75 4.34 4.10 1k7iA1 ALA 399 HB3 0.02 -0.00 0.04 -0.04 1.41 1.42 1k7iA1 ALA 400 H -0.03 0.29 -0.70 -0.55 8.40 7.41 1k7iA1 ALA 400 HA -0.20 0.12 0.51 -0.75 4.34 4.01 1k7iA1 ALA 400 HB3 -0.06 -0.02 -0.03 -0.04 1.41 1.26 1k7iA1 TYR 401 H -0.36 0.13 -0.06 -0.55 8.29 7.45 1k7iA1 TYR 401 HA -0.24 0.05 0.49 -0.75 4.56 4.12 1k7iA1 TYR 401 HB2 -0.46 0.07 0.03 -0.04 3.06 2.65 1k7iA1 TYR 401 HB3 -0.32 0.01 0.02 -0.04 2.98 2.65 1k7iA1 TYR 401 HD2 -0.49 0.27 -0.17 -0.04 7.15 6.72 1k7iA1 TYR 401 HE2 -0.72 -0.03 -0.07 -0.04 6.85 5.99 1k7iA1 ASP 402 H -0.13 0.15 0.34 -0.55 8.40 8.21 1k7iA1 ASP 402 HA 0.00 0.21 0.74 -0.75 4.63 4.83 1k7iA1 ASP 402 HB2 -0.03 -0.05 0.21 -0.04 2.71 2.80 1k7iA1 ASP 402 HB3 0.07 -0.05 -0.08 -0.04 2.70 2.61 1k7iA1 TRP 403 H 0.18 0.77 0.47 -0.55 7.97 8.84 1k7iA1 TRP 403 HA -0.05 0.28 0.95 -0.75 4.62 5.04 1k7iA1 TRP 403 HB2 -0.04 0.06 0.20 -0.04 3.23 3.41 1k7iA1 TRP 403 HB3 -0.09 -0.09 -0.03 -0.04 3.23 2.98 1k7iA1 TRP 403 HD1 -0.02 0.05 -0.10 -0.04 7.22 7.11 1k7iA1 TRP 403 HE1 0.11 -0.00 -0.08 -0.04 10.20 10.19 1k7iA1 TRP 403 HE3 -0.08 0.05 -0.21 -0.04 7.59 7.32 1k7iA1 TRP 403 HZ2 0.05 -0.00 -0.07 -0.04 7.44 7.37 1k7iA1 TRP 403 HZ3 -0.08 -0.02 -0.36 -0.04 7.13 6.63 1k7iA1 TRP 403 HH2 -0.07 -0.01 -0.11 -0.04 7.19 6.96 1k7iA1 ILE 404 H 0.13 0.71 0.31 -0.55 8.25 8.85 1k7iA1 ILE 404 HA -0.17 0.15 0.98 -0.75 4.18 4.38 1k7iA1 ILE 404 HB -0.19 0.00 0.19 -0.04 1.89 1.85 1k7iA1 ILE 404 HG12 -0.29 0.02 -0.05 -0.04 1.49 1.13 1k7iA1 ILE 404 HG13 -0.11 0.03 -0.24 -0.04 1.21 0.85 1k7iA1 ILE 404 HG23 -0.62 -0.04 -0.05 -0.04 0.93 0.18 1k7iA1 ILE 404 HD13 -0.31 -0.00 -0.09 -0.04 0.88 0.44 1k7iA1 ALA 405 H -0.35 0.48 0.16 -0.55 8.40 8.14 1k7iA1 ALA 405 HA -0.08 0.08 0.69 -0.75 4.34 4.28 1k7iA1 ALA 405 HB3 -0.62 0.02 0.05 -0.04 1.41 0.83 1k7iA1 ASP 406 H -0.05 0.04 -0.06 -0.55 8.40 7.78 1k7iA1 ASP 406 HA 0.09 0.35 0.89 -0.75 4.63 5.20 1k7iA1 ASP 406 HB2 0.14 0.06 0.17 -0.04 2.71 3.03 1k7iA1 ASP 406 HB3 0.23 0.05 -0.11 -0.04 2.70 2.81 1k7iA1 PHE 407 H 0.17 0.19 -0.14 -0.55 8.34 8.01 1k7iA1 PHE 407 HA 0.10 -0.05 0.32 -0.75 4.62 4.24 1k7iA1 PHE 407 HB2 -0.09 -0.02 -0.01 -0.04 3.15 2.99 1k7iA1 PHE 407 HB3 0.02 0.09 -0.15 -0.04 3.06 2.98 1k7iA1 PHE 407 HD2 -0.04 0.10 -0.21 -0.04 7.28 7.09 1k7iA1 PHE 407 HE2 0.19 -0.08 -0.24 -0.04 7.38 7.22 1k7iA1 PHE 407 HZ 0.12 0.10 -0.29 -0.04 7.32 7.21 1k7iA1 GLN 408 H -0.65 0.08 0.17 -0.55 8.47 7.52 1k7iA1 GLN 408 HA -0.07 0.21 0.96 -0.75 4.36 4.71 1k7iA1 GLN 408 HB2 -0.18 -0.08 0.24 -0.04 2.15 2.09 1k7iA1 GLN 408 HB3 -0.10 0.05 0.05 -0.04 2.02 1.97 1k7iA1 GLN 408 HG2 -0.02 0.02 -0.00 -0.04 2.40 2.36 1k7iA1 GLN 408 HG3 -0.02 0.18 -0.07 -0.04 2.39 2.45 1k7iA1 GLN 408 HE21 -0.00 -0.07 0.02 -0.04 6.97 6.88 1k7iA1 GLN 408 HE22 -0.01 0.00 0.00 -0.04 7.69 7.65 1k7iA1 LYS 409 H 0.02 0.24 0.09 -0.55 8.42 8.22 1k7iA1 LYS 409 HA 0.13 -0.05 0.41 -0.75 4.32 4.06 1k7iA1 LYS 409 HB2 0.09 0.18 -0.14 -0.04 1.87 1.96 1k7iA1 LYS 409 HB3 0.01 0.03 0.06 -0.04 1.79 1.84 1k7iA1 LYS 409 HG2 0.01 0.06 -0.26 -0.04 1.46 1.23 1k7iA1 LYS 409 HG3 0.06 -0.20 -0.10 -0.04 1.46 1.17 1k7iA1 LYS 409 HD2 -0.05 -0.05 -0.25 -0.04 1.69 1.29 1k7iA1 LYS 409 HD3 -0.04 0.05 -0.11 -0.04 1.68 1.54 1k7iA1 LYS 409 HE2 -0.03 0.03 -0.11 -0.04 2.99 2.84 1k7iA1 LYS 409 HE3 -0.04 -0.08 -0.17 -0.04 2.99 2.66 1k7iA1 GLY 410 H 0.05 0.08 0.17 -0.55 8.43 8.18 1k7iA1 GLY 410 HA2 0.01 -0.01 0.31 -0.51 4.01 3.81 1k7iA1 GLY 410 HA3 -0.01 0.08 0.43 -0.51 4.01 4.00 1k7iA1 ILE 411 H -0.11 0.34 -0.39 -0.55 8.25 7.54 1k7iA1 ILE 411 HA -0.04 0.16 0.95 -0.75 4.18 4.50 1k7iA1 ILE 411 HB -0.11 -0.03 0.07 -0.04 1.89 1.79 1k7iA1 ILE 411 HG12 -0.03 0.01 -0.09 -0.04 1.49 1.33 1k7iA1 ILE 411 HG13 -0.04 0.04 -0.37 -0.04 1.21 0.80 1k7iA1 ILE 411 HG23 -0.05 -0.03 -0.11 -0.04 0.93 0.70 1k7iA1 ILE 411 HD13 -0.03 -0.02 -0.05 -0.04 0.88 0.74 1k7iA1 ASP 412 H -0.32 0.46 0.31 -0.55 8.40 8.30 1k7iA1 ASP 412 HA -0.06 0.19 0.79 -0.75 4.63 4.80 1k7iA1 ASP 412 HB2 -1.28 -0.11 0.10 -0.04 2.71 1.38 1k7iA1 ASP 412 HB3 0.14 0.04 0.15 -0.04 2.70 3.00 1k7iA1 LYS 413 H 0.21 0.62 0.46 -0.55 8.42 9.15 1k7iA1 LYS 413 HA 0.34 0.34 0.93 -0.75 4.32 5.17 1k7iA1 LYS 413 HB2 0.13 -0.07 0.04 -0.04 1.87 1.92 1k7iA1 LYS 413 HB3 0.17 -0.08 -0.03 -0.04 1.79 1.80 1k7iA1 LYS 413 HG2 0.11 0.10 -0.09 -0.04 1.46 1.53 1k7iA1 LYS 413 HG3 0.07 0.08 -0.45 -0.04 1.46 1.12 1k7iA1 LYS 413 HD2 0.06 -0.05 -0.12 -0.04 1.69 1.54 1k7iA1 LYS 413 HD3 0.08 -0.09 -0.10 -0.04 1.68 1.52 1k7iA1 LYS 413 HE2 0.04 0.06 -0.08 -0.04 2.99 2.97 1k7iA1 LYS 413 HE3 0.03 0.07 -0.10 -0.04 2.99 2.95 1k7iA1 ILE 414 H 0.29 0.65 0.34 -0.55 8.25 8.97 1k7iA1 ILE 414 HA 0.46 0.19 0.99 -0.75 4.18 5.06 1k7iA1 ILE 414 HB 0.13 -0.04 0.11 -0.04 1.89 2.05 1k7iA1 ILE 414 HG12 0.24 0.03 -0.06 -0.04 1.49 1.66 1k7iA1 ILE 414 HG13 0.16 -0.04 -0.29 -0.04 1.21 1.00 1k7iA1 ILE 414 HG23 0.21 0.01 -0.15 -0.04 0.93 0.95 1k7iA1 ILE 414 HD13 -0.39 0.00 -0.14 -0.04 0.88 0.31 1k7iA1 ASP 415 H 0.35 0.71 0.21 -0.55 8.40 9.13 1k7iA1 ASP 415 HA 0.20 0.08 0.92 -0.75 4.63 5.08 1k7iA1 ASP 415 HB2 0.19 0.05 -0.05 -0.04 2.71 2.86 1k7iA1 ASP 415 HB3 0.25 -0.04 0.14 -0.04 2.70 3.01 1k7iA1 LEU 416 H 0.18 0.75 0.38 -0.55 8.37 9.14 1k7iA1 LEU 416 HA 0.39 0.22 0.94 -0.75 4.35 5.15 1k7iA1 LEU 416 HB2 0.10 0.14 0.02 -0.04 1.64 1.86 1k7iA1 LEU 416 HB3 0.07 -0.06 0.11 -0.04 1.64 1.72 1k7iA1 LEU 416 HG 0.14 0.02 -0.34 -0.04 1.64 1.42 1k7iA1 LEU 416 HD13 -0.07 -0.00 -0.18 -0.04 0.93 0.63 1k7iA1 LEU 416 HD23 0.10 0.03 -0.20 -0.04 0.89 0.78 1k7iA1 SER 417 H 0.16 0.02 0.01 -0.55 8.46 8.10 1k7iA1 SER 417 HA 0.07 0.28 0.39 -0.75 4.49 4.47 1k7iA1 SER 417 HB2 -0.01 0.21 0.14 -0.04 3.95 4.24 1k7iA1 SER 417 HB3 0.06 -0.00 0.10 -0.04 3.93 4.05 1k7iA1 ALA 418 H 0.08 0.11 -0.38 -0.55 8.40 7.66 1k7iA1 ALA 418 HA -0.40 0.06 0.32 -0.75 4.34 3.57 1k7iA1 ALA 418 HB3 -0.05 0.06 0.08 -0.04 1.41 1.46 1k7iA1 PHE 419 H 0.24 0.47 -0.37 -0.55 8.34 8.12 1k7iA1 PHE 419 HA -0.03 0.07 0.46 -0.75 4.62 4.36 1k7iA1 PHE 419 HB2 -0.05 0.16 0.03 -0.04 3.15 3.25 1k7iA1 PHE 419 HB3 -0.06 -0.01 0.04 -0.04 3.06 3.00 1k7iA1 PHE 419 HD2 -0.06 0.09 -0.00 -0.04 7.28 7.27 1k7iA1 PHE 419 HE2 -0.13 -0.02 -0.14 -0.04 7.38 7.04 1k7iA1 PHE 419 HZ -0.42 0.04 -0.47 -0.04 7.32 6.43 1k7iA1 ARG 420 H 0.02 0.50 -0.40 -0.55 8.46 8.04 1k7iA1 ARG 420 HA 0.04 0.06 0.11 -0.75 4.34 3.79 1k7iA1 ARG 420 HB2 -0.04 0.10 -0.01 -0.04 1.90 1.91 1k7iA1 ARG 420 HB3 -0.01 -0.07 0.01 -0.04 1.80 1.69 1k7iA1 ARG 420 HG2 0.02 -0.09 0.06 -0.04 1.67 1.61 1k7iA1 ARG 420 HG3 0.03 -0.02 0.12 -0.04 1.67 1.76 1k7iA1 ARG 420 HD2 -0.03 0.13 0.09 -0.04 3.22 3.37 1k7iA1 ARG 420 HD3 -0.01 -0.08 0.07 -0.04 3.22 3.16 1k7iA1 ASN 421 H -0.05 0.24 -0.46 -0.55 8.53 7.71 1k7iA1 ASN 421 HA -0.03 0.14 0.36 -0.75 4.76 4.48 1k7iA1 ASN 421 HB2 -0.03 -0.03 0.08 -0.04 2.88 2.85 1k7iA1 ASN 421 HB3 -0.08 0.02 0.07 -0.04 2.79 2.77 1k7iA1 ASN 421 HD21 -0.03 -0.07 -0.06 -0.04 7.03 6.83 1k7iA1 ASN 421 HD22 -0.02 -0.02 -0.08 -0.04 7.74 7.58 1k7iA1 GLU 422 H 0.03 0.49 -0.41 -0.55 8.60 8.16 1k7iA1 GLU 422 HA 0.02 0.14 0.80 -0.75 4.29 4.49 1k7iA1 GLU 422 HB2 0.08 0.09 0.09 -0.04 2.09 2.30 1k7iA1 GLU 422 HB3 0.04 -0.08 0.19 -0.04 1.99 2.11 1k7iA1 GLU 422 HG2 0.03 0.03 -0.06 -0.04 2.34 2.30 1k7iA1 GLU 422 HG3 0.02 -0.05 -0.11 -0.04 2.34 2.16 1k7iA1 GLY 423 H 0.02 0.45 -0.44 -0.55 8.43 7.91 1k7iA1 GLY 423 HA2 0.01 -0.05 0.35 -0.51 4.01 3.81 1k7iA1 GLY 423 HA3 0.01 0.17 0.82 -0.51 4.01 4.50 1k7iA1 GLN 424 H 0.01 0.06 0.13 -0.55 8.47 8.13 1k7iA1 GLN 424 HA 0.03 -0.01 0.41 -0.75 4.36 4.04 1k7iA1 GLN 424 HB2 0.02 -0.01 0.15 -0.04 2.15 2.26 1k7iA1 GLN 424 HB3 0.02 -0.02 0.11 -0.04 2.02 2.08 1k7iA1 GLN 424 HG2 0.02 -0.06 0.00 -0.04 2.40 2.32 1k7iA1 GLN 424 HG3 0.03 0.18 -0.25 -0.04 2.39 2.30 1k7iA1 GLN 424 HE21 0.03 0.12 0.05 -0.04 6.97 7.12 1k7iA1 GLN 424 HE22 0.02 -0.03 0.06 -0.04 7.69 7.69 1k7iA1 LEU 425 H 0.04 0.06 0.13 -0.55 8.37 8.05 1k7iA1 LEU 425 HA 0.01 0.30 0.54 -0.75 4.35 4.44 1k7iA1 LEU 425 HB2 0.03 -0.09 0.04 -0.04 1.64 1.57 1k7iA1 LEU 425 HB3 0.00 -0.03 -0.20 -0.04 1.64 1.37 1k7iA1 LEU 425 HG 0.03 0.08 -0.09 -0.04 1.64 1.62 1k7iA1 LEU 425 HD13 -0.21 -0.02 -0.11 -0.04 0.93 0.55 1k7iA1 LEU 425 HD23 -0.14 0.01 -0.22 -0.04 0.89 0.50 1k7iA1 SER 426 H 0.03 0.75 0.47 -0.55 8.46 9.16 1k7iA1 SER 426 HA 0.08 0.11 0.86 -0.75 4.49 4.78 1k7iA1 SER 426 HB2 0.04 -0.02 0.15 -0.04 3.95 4.09 1k7iA1 SER 426 HB3 0.06 -0.02 0.02 -0.04 3.93 3.95 1k7iA1 PHE 427 H 0.21 0.17 0.17 -0.55 8.34 8.33 1k7iA1 PHE 427 HA 0.04 0.18 0.89 -0.75 4.62 4.98 1k7iA1 PHE 427 HB2 0.02 -0.01 0.07 -0.04 3.15 3.19 1k7iA1 PHE 427 HB3 0.02 -0.04 0.15 -0.04 3.06 3.15 1k7iA1 PHE 427 HD2 0.01 -0.06 -0.18 -0.04 7.28 7.02 1k7iA1 PHE 427 HE2 0.01 -0.03 -0.10 -0.04 7.38 7.21 1k7iA1 PHE 427 HZ 0.01 -0.05 -0.02 -0.04 7.32 7.22 1k7iA1 VAL 428 H -0.45 0.71 0.38 -0.55 8.24 8.32 1k7iA1 VAL 428 HA -0.05 0.15 0.95 -0.75 4.13 4.43 1k7iA1 VAL 428 HB -0.14 -0.00 0.10 -0.04 2.12 2.04 1k7iA1 VAL 428 HG13 0.02 -0.01 -0.09 -0.04 0.97 0.85 1k7iA1 VAL 428 HG23 -0.32 0.01 -0.26 -0.04 0.95 0.34 1k7iA1 GLN 429 H -0.05 0.12 0.19 -0.55 8.47 8.17 1k7iA1 GLN 429 HA -0.02 0.14 0.62 -0.75 4.36 4.35 1k7iA1 GLN 429 HB2 -0.01 -0.06 0.20 -0.04 2.15 2.23 1k7iA1 GLN 429 HB3 0.02 0.04 0.06 -0.04 2.02 2.10 1k7iA1 GLN 429 HG2 0.06 0.00 0.10 -0.04 2.40 2.52 1k7iA1 GLN 429 HG3 0.05 0.03 0.06 -0.04 2.39 2.49 1k7iA1 GLN 429 HE21 0.39 -0.03 -0.08 -0.04 6.97 7.20 1k7iA1 GLN 429 HE22 0.25 0.06 -0.11 -0.04 7.69 7.85 1k7iA1 ASP 430 H -0.11 -0.02 0.13 -0.55 8.40 7.85 1k7iA1 ASP 430 HA -0.15 0.25 0.75 -0.75 4.63 4.72 1k7iA1 ASP 430 HB2 -0.07 0.01 0.16 -0.04 2.71 2.77 1k7iA1 ASP 430 HB3 -0.04 0.09 -0.04 -0.04 2.70 2.67 1k7iA1 GLN 431 H -0.21 0.06 0.07 -0.55 8.47 7.84 1k7iA1 GLN 431 HA -0.28 0.14 0.61 -0.75 4.36 4.08 1k7iA1 GLN 431 HB2 -0.07 0.12 -0.01 -0.04 2.15 2.14 1k7iA1 GLN 431 HB3 -0.10 0.13 -0.13 -0.04 2.02 1.88 1k7iA1 GLN 431 HG2 -0.08 -0.19 -0.08 -0.04 2.40 2.02 1k7iA1 GLN 431 HG3 -0.06 -0.01 -0.12 -0.04 2.39 2.17 1k7iA1 GLN 431 HE21 -0.03 0.04 -0.04 -0.04 6.97 6.90 1k7iA1 GLN 431 HE22 -0.04 -0.06 -0.08 -0.04 7.69 7.47 1k7iA1 PHE 432 H -0.09 0.20 0.09 -0.55 8.34 7.99 1k7iA1 PHE 432 HA -0.03 0.11 0.69 -0.75 4.62 4.63 1k7iA1 PHE 432 HB2 -0.09 0.07 0.05 -0.04 3.15 3.14 1k7iA1 PHE 432 HB3 0.04 -0.11 -0.03 -0.04 3.06 2.92 1k7iA1 PHE 432 HD2 -0.12 0.01 -0.08 -0.04 7.28 7.05 1k7iA1 PHE 432 HE2 -0.16 0.04 -0.32 -0.04 7.38 6.89 1k7iA1 PHE 432 HZ 0.08 0.03 -0.35 -0.04 7.32 7.04 1k7iA1 THR 433 H 0.18 0.11 0.15 -0.55 8.28 8.17 1k7iA1 THR 433 HA 0.05 0.21 0.59 -0.75 4.39 4.49 1k7iA1 THR 433 HB 0.04 0.08 0.09 -0.04 4.32 4.49 1k7iA1 THR 433 HG23 0.04 0.03 0.01 -0.04 1.22 1.26 1k7iA1 GLY 434 H 0.16 -0.04 -0.06 -0.55 8.43 7.94 1k7iA1 GLY 434 HA2 0.19 0.03 0.22 -0.51 4.01 3.94 1k7iA1 GLY 434 HA3 0.08 0.27 0.69 -0.51 4.01 4.54 1k7iA1 LYS 435 H 0.04 -0.05 -0.27 -0.55 8.42 7.59 1k7iA1 LYS 435 HA -0.02 0.12 0.38 -0.75 4.32 4.05 1k7iA1 LYS 435 HB2 -0.00 -0.03 0.05 -0.04 1.87 1.84 1k7iA1 LYS 435 HB3 -0.02 0.07 0.00 -0.04 1.79 1.81 1k7iA1 LYS 435 HG2 0.00 0.05 -0.03 -0.04 1.46 1.45 1k7iA1 LYS 435 HG3 0.02 -0.07 -0.09 -0.04 1.46 1.28 1k7iA1 LYS 435 HD2 0.02 -0.03 -0.00 -0.04 1.69 1.63 1k7iA1 LYS 435 HD3 0.01 0.04 -0.01 -0.04 1.68 1.68 1k7iA1 LYS 435 HE2 0.01 0.02 -0.01 -0.04 2.99 2.97 1k7iA1 LYS 435 HE3 0.02 -0.01 -0.01 -0.04 2.99 2.94 1k7iA1 GLY 436 H -0.11 -0.17 -0.18 -0.55 8.43 7.42 1k7iA1 GLY 436 HA2 -0.70 0.01 0.13 -0.51 4.01 2.94 1k7iA1 GLY 436 HA3 -0.29 0.23 0.73 -0.51 4.01 4.18 1k7iA1 GLN 437 H -0.22 0.23 0.15 -0.55 8.47 8.08 1k7iA1 GLN 437 HA -0.10 -0.04 0.37 -0.75 4.36 3.84 1k7iA1 GLN 437 HB2 -0.04 0.15 -0.17 -0.04 2.15 2.05 1k7iA1 GLN 437 HB3 -0.02 0.07 0.09 -0.04 2.02 2.12 1k7iA1 GLN 437 HG2 -0.04 -0.18 0.00 -0.04 2.40 2.14 1k7iA1 GLN 437 HG3 -0.01 0.22 -0.06 -0.04 2.39 2.50 1k7iA1 GLN 437 HE21 0.11 -0.08 -0.06 -0.04 6.97 6.91 1k7iA1 GLN 437 HE22 0.03 0.50 -0.22 -0.04 7.69 7.97 1k7iA1 GLU 438 H -0.09 0.25 0.05 -0.55 8.60 8.27 1k7iA1 GLU 438 HA 0.04 0.37 1.08 -0.75 4.29 5.02 1k7iA1 GLU 438 HB2 0.28 -0.15 -0.02 -0.04 2.09 2.15 1k7iA1 GLU 438 HB3 0.19 0.05 0.02 -0.04 1.99 2.22 1k7iA1 GLU 438 HG2 0.05 0.17 -0.15 -0.04 2.34 2.37 1k7iA1 GLU 438 HG3 0.01 0.03 -0.42 -0.04 2.34 1.93 1k7iA1 VAL 439 H 0.03 0.70 0.40 -0.55 8.24 8.82 1k7iA1 VAL 439 HA 0.11 0.28 1.10 -0.75 4.13 4.87 1k7iA1 VAL 439 HB 0.12 -0.05 -0.04 -0.04 2.12 2.11 1k7iA1 VAL 439 HG13 0.06 0.01 -0.16 -0.04 0.97 0.84 1k7iA1 VAL 439 HG23 -0.05 -0.01 -0.27 -0.04 0.95 0.57 1k7iA1 MET 440 H 0.09 0.72 0.35 -0.55 8.47 9.09 1k7iA1 MET 440 HA -0.62 0.30 0.96 -0.75 4.52 4.40 1k7iA1 MET 440 HB2 -0.55 -0.08 -0.31 -0.04 2.15 1.18 1k7iA1 MET 440 HB3 -0.15 -0.07 -0.06 -0.04 2.03 1.71 1k7iA1 MET 440 HG2 -0.13 0.12 -0.29 -0.04 2.63 2.29 1k7iA1 MET 440 HG3 -0.33 0.07 -0.32 -0.04 2.56 1.94 1k7iA1 MET 440 HE3 -1.16 -0.03 -0.44 -0.04 2.10 0.43 1k7iA1 LEU 441 H -0.15 0.33 0.22 -0.55 8.37 8.22 1k7iA1 LEU 441 HA 0.05 0.25 0.97 -0.75 4.35 4.86 1k7iA1 LEU 441 HB2 0.25 -0.01 0.11 -0.04 1.64 1.94 1k7iA1 LEU 441 HB3 0.13 0.01 -0.07 -0.04 1.64 1.67 1k7iA1 LEU 441 HG 0.37 -0.04 -0.25 -0.04 1.64 1.68 1k7iA1 LEU 441 HD13 0.18 0.02 -0.35 -0.04 0.93 0.73 1k7iA1 LEU 441 HD23 0.02 0.02 -0.14 -0.04 0.89 0.75 1k7iA1 GLN 442 H 0.08 0.59 0.26 -0.55 8.47 8.86 1k7iA1 GLN 442 HA 0.12 0.17 1.03 -0.75 4.36 4.94 1k7iA1 GLN 442 HB2 0.25 -0.01 0.14 -0.04 2.15 2.49 1k7iA1 GLN 442 HB3 0.13 0.02 -0.01 -0.04 2.02 2.12 1k7iA1 GLN 442 HG2 0.14 -0.06 -0.47 -0.04 2.40 1.98 1k7iA1 GLN 442 HG3 0.14 -0.03 -0.10 -0.04 2.39 2.36 1k7iA1 GLN 442 HE21 -0.04 -0.03 0.21 -0.04 6.97 7.06 1k7iA1 GLN 442 HE22 -0.04 0.11 -0.03 -0.04 7.69 7.69 1k7iA1 TRP 443 H 0.28 0.20 0.18 -0.55 7.97 8.07 1k7iA1 TRP 443 HA 0.01 0.23 0.89 -0.75 4.62 4.99 1k7iA1 TRP 443 HB2 0.02 0.00 0.02 -0.04 3.23 3.23 1k7iA1 TRP 443 HB3 0.02 0.00 0.15 -0.04 3.23 3.36 1k7iA1 TRP 443 HD1 0.02 -0.01 -0.09 -0.04 7.22 7.09 1k7iA1 TRP 443 HE1 0.02 0.01 -0.07 -0.04 10.20 10.11 1k7iA1 TRP 443 HE3 0.02 0.03 -0.25 -0.04 7.59 7.34 1k7iA1 TRP 443 HZ2 0.02 0.05 -0.04 -0.04 7.44 7.42 1k7iA1 TRP 443 HZ3 0.04 0.15 -0.68 -0.04 7.13 6.59 1k7iA1 TRP 443 HH2 0.03 0.07 -0.10 -0.04 7.19 7.16 1k7iA1 ASP 444 H -0.66 0.70 0.27 -0.55 8.40 8.15 1k7iA1 ASP 444 HA -0.31 0.15 0.90 -0.75 4.63 4.62 1k7iA1 ASP 444 HB2 -0.18 0.10 0.04 -0.04 2.71 2.62 1k7iA1 ASP 444 HB3 -0.35 -0.03 0.28 -0.04 2.70 2.56 1k7iA1 ALA 445 H -0.39 0.27 0.07 -0.55 8.40 7.81 1k7iA1 ALA 445 HA -0.49 0.09 0.39 -0.75 4.34 3.57 1k7iA1 ALA 445 HB3 0.09 0.03 0.07 -0.04 1.41 1.56 1k7iA1 ALA 446 H -0.18 0.05 -0.14 -0.55 8.40 7.58 1k7iA1 ALA 446 HA -0.06 0.11 0.38 -0.75 4.34 4.02 1k7iA1 ALA 446 HB3 -0.07 0.01 0.05 -0.04 1.41 1.35 1k7iA1 ASN 447 H -0.24 0.04 -0.23 -0.55 8.53 7.56 1k7iA1 ASN 447 HA -0.08 0.28 0.93 -0.75 4.76 5.13 1k7iA1 ASN 447 HB2 -0.05 0.04 0.08 -0.04 2.88 2.91 1k7iA1 ASN 447 HB3 -0.06 -0.01 -0.05 -0.04 2.79 2.63 1k7iA1 ASN 447 HD21 -0.08 -0.01 -0.03 -0.04 7.03 6.88 1k7iA1 ASN 447 HD22 -0.02 0.04 -0.04 -0.04 7.74 7.68 1k7iA1 SER 448 H -0.45 0.25 -0.10 -0.55 8.46 7.60 1k7iA1 SER 448 HA -0.96 -0.02 0.28 -0.75 4.49 3.03 1k7iA1 SER 448 HB2 0.01 0.23 -0.00 -0.04 3.95 4.15 1k7iA1 SER 448 HB3 0.23 -0.09 0.18 -0.04 3.93 4.21 1k7iA1 ILE 449 H -0.52 0.14 0.00 -0.55 8.25 7.33 1k7iA1 ILE 449 HA 0.06 0.31 1.09 -0.75 4.18 4.89 1k7iA1 ILE 449 HB -0.10 -0.12 0.02 -0.04 1.89 1.65 1k7iA1 ILE 449 HG12 -0.03 0.06 -0.38 -0.04 1.49 1.10 1k7iA1 ILE 449 HG13 0.17 -0.04 -0.11 -0.04 1.21 1.19 1k7iA1 ILE 449 HG23 0.05 0.01 -0.21 -0.04 0.93 0.73 1k7iA1 ILE 449 HD13 0.19 0.03 -0.10 -0.04 0.88 0.96 1k7iA1 THR 450 H 0.11 0.73 0.40 -0.55 8.28 8.98 1k7iA1 THR 450 HA 0.16 0.26 1.10 -0.75 4.39 5.16 1k7iA1 THR 450 HB 0.08 0.01 0.14 -0.04 4.32 4.51 1k7iA1 THR 450 HG23 0.08 -0.03 -0.25 -0.04 1.22 0.98 1k7iA1 ASN 451 H -0.05 0.67 0.34 -0.55 8.53 8.95 1k7iA1 ASN 451 HA -0.47 0.17 0.95 -0.75 4.76 4.66 1k7iA1 ASN 451 HB2 -0.08 -0.02 0.15 -0.04 2.88 2.89 1k7iA1 ASN 451 HB3 -1.09 0.02 -0.09 -0.04 2.79 1.59 1k7iA1 ASN 451 HD21 -0.10 0.00 -0.07 -0.04 7.03 6.82 1k7iA1 ASN 451 HD22 0.13 -0.02 -0.05 -0.04 7.74 7.76 1k7iA1 LEU 452 H -0.50 0.74 0.34 -0.55 8.37 8.40 1k7iA1 LEU 452 HA -0.11 0.23 0.96 -0.75 4.35 4.67 1k7iA1 LEU 452 HB2 -0.19 -0.02 0.01 -0.04 1.64 1.40 1k7iA1 LEU 452 HB3 -0.27 -0.02 0.24 -0.04 1.64 1.54 1k7iA1 LEU 452 HG -0.00 0.03 -0.09 -0.04 1.64 1.54 1k7iA1 LEU 452 HD13 -0.09 -0.02 -0.13 -0.04 0.93 0.66 1k7iA1 LEU 452 HD23 0.04 0.00 -0.44 -0.04 0.89 0.45 1k7iA1 TRP 453 H 0.16 0.68 0.30 -0.55 7.97 8.56 1k7iA1 TRP 453 HA 0.03 0.33 1.01 -0.75 4.62 5.24 1k7iA1 TRP 453 HB2 0.13 -0.06 0.03 -0.04 3.23 3.30 1k7iA1 TRP 453 HB3 0.25 -0.03 -0.06 -0.04 3.23 3.35 1k7iA1 TRP 453 HD1 -0.08 0.04 -0.18 -0.04 7.22 6.95 1k7iA1 TRP 453 HE1 -0.09 -0.01 -0.09 -0.04 10.20 9.96 1k7iA1 TRP 453 HE3 -0.02 0.09 -0.06 -0.04 7.59 7.55 1k7iA1 TRP 453 HZ2 -0.13 -0.01 -0.08 -0.04 7.44 7.19 1k7iA1 TRP 453 HZ3 -0.09 0.02 -0.13 -0.04 7.13 6.89 1k7iA1 TRP 453 HH2 -0.13 0.01 -0.07 -0.04 7.19 6.97 1k7iA1 LEU 454 H 0.36 0.57 0.23 -0.55 8.37 8.99 1k7iA1 LEU 454 HA 0.07 0.29 1.02 -0.75 4.35 4.98 1k7iA1 LEU 454 HB2 -0.10 0.02 -0.24 -0.04 1.64 1.28 1k7iA1 LEU 454 HB3 -0.16 -0.06 0.07 -0.04 1.64 1.45 1k7iA1 LEU 454 HG -0.37 0.08 -0.15 -0.04 1.64 1.15 1k7iA1 LEU 454 HD13 -1.53 -0.00 -0.14 -0.04 0.93 -0.79 1k7iA1 LEU 454 HD23 -0.46 -0.02 -0.44 -0.04 0.89 -0.07 1k7iA1 HIS 455 H -0.12 0.66 0.20 -0.55 8.41 8.61 1k7iA1 HIS 455 HA -0.27 0.07 0.83 -0.75 4.63 4.50 1k7iA1 HIS 455 HB2 -1.34 -0.00 0.01 -0.04 3.26 1.88 1k7iA1 HIS 455 HB3 -0.54 -0.13 0.18 -0.04 3.20 2.67 1k7iA1 HIS 455 HD2 -0.13 0.02 -0.08 -0.04 6.97 6.74 1k7iA1 HIS 455 HE1 -0.10 0.08 -0.12 -0.04 7.75 7.57 1k7iA1 GLU 456 H -0.09 0.17 0.13 -0.55 8.60 8.26 1k7iA1 GLU 456 HA -0.12 0.06 0.60 -0.75 4.29 4.09 1k7iA1 GLU 456 HB2 -0.19 -0.02 0.04 -0.04 2.09 1.87 1k7iA1 GLU 456 HB3 -0.40 0.01 0.05 -0.04 1.99 1.61 1k7iA1 GLU 456 HG2 0.17 0.30 -0.03 -0.04 2.34 2.74 1k7iA1 GLU 456 HG3 0.14 -0.02 0.08 -0.04 2.34 2.50 1k7iA1 ALA 457 H 0.00 0.17 0.21 -0.55 8.40 8.24 1k7iA1 ALA 457 HA -0.07 0.07 0.50 -0.75 4.34 4.08 1k7iA1 ALA 457 HB3 0.01 0.04 0.14 -0.04 1.41 1.56 1k7iA1 GLY 458 H -0.01 0.20 0.18 -0.55 8.43 8.25 1k7iA1 GLY 458 HA2 -0.01 0.01 0.34 -0.51 4.01 3.85 1k7iA1 GLY 458 HA3 0.01 0.13 0.62 -0.51 4.01 4.26 1k7iA1 HIS 459 H 0.17 0.48 -0.24 -0.55 8.41 8.26 1k7iA1 HIS 459 HA 0.05 0.09 0.88 -0.75 4.63 4.89 1k7iA1 HIS 459 HB2 0.10 0.13 0.19 -0.04 3.26 3.64 1k7iA1 HIS 459 HB3 0.09 0.09 0.13 -0.04 3.20 3.47 1k7iA1 HIS 459 HD2 0.05 0.24 -0.35 -0.04 6.97 6.86 1k7iA1 HIS 459 HE1 0.10 -0.01 -0.05 -0.04 7.75 7.74 1k7iA1 SER 460 H 0.05 0.16 0.15 -0.55 8.46 8.27 1k7iA1 SER 460 HA 0.11 0.14 0.49 -0.75 4.49 4.47 1k7iA1 SER 460 HB2 0.02 -0.03 0.06 -0.04 3.95 3.97 1k7iA1 SER 460 HB3 0.02 0.01 0.08 -0.04 3.93 4.00 1k7iA1 SER 461 H 0.10 0.07 -0.17 -0.55 8.46 7.91 1k7iA1 SER 461 HA -0.14 0.21 0.77 -0.75 4.49 4.58 1k7iA1 SER 461 HB2 -0.05 0.02 0.01 -0.04 3.95 3.90 1k7iA1 SER 461 HB3 -0.02 0.06 -0.10 -0.04 3.93 3.83 1k7iA1 VAL 462 H -0.22 0.18 0.07 -0.55 8.24 7.72 1k7iA1 VAL 462 HA -0.18 0.04 0.62 -0.75 4.13 3.86 1k7iA1 VAL 462 HB -0.22 0.03 0.16 -0.04 2.12 2.04 1k7iA1 VAL 462 HG13 0.10 0.01 -0.17 -0.04 0.97 0.87 1k7iA1 VAL 462 HG23 -0.54 0.00 -0.03 -0.04 0.95 0.33 1k7iA1 ASP 463 H 0.04 0.18 0.29 -0.55 8.40 8.36 1k7iA1 ASP 463 HA 0.11 0.21 0.97 -0.75 4.63 5.18 1k7iA1 ASP 463 HB2 0.06 0.02 0.07 -0.04 2.71 2.82 1k7iA1 ASP 463 HB3 0.14 -0.05 0.17 -0.04 2.70 2.92 1k7iA1 PHE 464 H 0.20 0.21 0.14 -0.55 8.34 8.34 1k7iA1 PHE 464 HA -0.01 0.37 1.09 -0.75 4.62 5.31 1k7iA1 PHE 464 HB2 -0.07 -0.08 0.04 -0.04 3.15 3.01 1k7iA1 PHE 464 HB3 -0.09 0.02 0.26 -0.04 3.06 3.21 1k7iA1 PHE 464 HD2 -0.04 0.00 -0.12 -0.04 7.28 7.08 1k7iA1 PHE 464 HE2 -0.05 -0.02 -0.12 -0.04 7.38 7.15 1k7iA1 PHE 464 HZ -0.49 -0.03 -0.12 -0.04 7.32 6.63 1k7iA1 LEU 465 H -0.64 0.77 0.22 -0.55 8.37 8.16 1k7iA1 LEU 465 HA -0.54 0.34 0.90 -0.75 4.35 4.30 1k7iA1 LEU 465 HB2 -0.74 -0.01 -0.19 -0.04 1.64 0.66 1k7iA1 LEU 465 HB3 -0.41 -0.02 -0.13 -0.04 1.64 1.04 1k7iA1 LEU 465 HG -0.91 -0.00 -0.51 -0.04 1.64 0.17 1k7iA1 LEU 465 HD13 -1.87 0.01 -0.13 -0.04 0.93 -1.10 1k7iA1 LEU 465 HD23 -0.89 0.00 -0.10 -0.04 0.89 -0.14 1k7iA1 VAL 466 H -0.60 0.53 0.28 -0.55 8.24 7.90 1k7iA1 VAL 466 HA -0.46 0.21 0.89 -0.75 4.13 4.02 1k7iA1 VAL 466 HB -0.37 -0.07 0.10 -0.04 2.12 1.74 1k7iA1 VAL 466 HG13 -0.23 -0.00 -0.24 -0.04 0.97 0.46 1k7iA1 VAL 466 HG23 -0.75 -0.01 -0.16 -0.04 0.95 -0.00 1k7iA1 ARG 467 H -0.59 0.69 0.24 -0.55 8.46 8.25 1k7iA1 ARG 467 HA -0.55 0.13 0.98 -0.75 4.34 4.15 1k7iA1 ARG 467 HB2 -2.01 0.05 0.11 -0.04 1.90 0.01 1k7iA1 ARG 467 HB3 -1.19 -0.01 -0.02 -0.04 1.80 0.54 1k7iA1 ARG 467 HG2 -1.00 -0.05 -0.14 -0.04 1.67 0.44 1k7iA1 ARG 467 HG3 -1.47 0.05 -0.11 -0.04 1.67 0.10 1k7iA1 ARG 467 HD2 -1.58 0.01 -0.08 -0.04 3.22 1.53 1k7iA1 ARG 467 HD3 -1.55 0.03 -0.07 -0.04 3.22 1.59 1k7iA1 ILE 468 H -0.13 0.61 0.34 -0.55 8.25 8.51 1k7iA1 ILE 468 HA 0.08 0.16 1.10 -0.75 4.18 4.76 1k7iA1 ILE 468 HB -0.04 0.02 0.17 -0.04 1.89 2.00 1k7iA1 ILE 468 HG12 -0.29 -0.04 -0.19 -0.04 1.49 0.93 1k7iA1 ILE 468 HG13 -0.24 0.01 -0.39 -0.04 1.21 0.54 1k7iA1 ILE 468 HG23 -0.05 -0.01 -0.28 -0.04 0.93 0.55 1k7iA1 ILE 468 HD13 -0.37 -0.03 -0.18 -0.04 0.88 0.27 1k7iA1 VAL 469 H 0.16 0.53 0.26 -0.55 8.24 8.64 1k7iA1 VAL 469 HA 0.16 0.13 0.81 -0.75 4.13 4.48 1k7iA1 VAL 469 HB 0.01 0.08 0.33 -0.04 2.12 2.50 1k7iA1 VAL 469 HG13 -0.00 0.01 0.04 -0.04 0.97 0.97 1k7iA1 VAL 469 HG23 -0.17 -0.02 -0.00 -0.04 0.95 0.72 1k7iA1 GLY 470 H 0.25 0.36 0.27 -0.55 8.43 8.76 1k7iA1 GLY 470 HA2 0.27 0.01 0.32 -0.51 4.01 4.11 1k7iA1 GLY 470 HA3 0.20 0.21 0.73 -0.51 4.01 4.65 1k7iA1 GLN 471 H 0.11 0.11 0.12 -0.55 8.47 8.26 1k7iA1 GLN 471 HA 0.03 0.12 0.58 -0.75 4.36 4.33 1k7iA1 GLN 471 HB2 -0.12 -0.01 0.06 -0.04 2.15 2.03 1k7iA1 GLN 471 HB3 -0.25 -0.02 -0.02 -0.04 2.02 1.70 1k7iA1 GLN 471 HG2 -1.67 0.01 -0.06 -0.04 2.40 0.64 1k7iA1 GLN 471 HG3 -0.54 0.01 -0.04 -0.04 2.39 1.77 1k7iA1 GLN 471 HE21 -0.23 0.01 -0.02 -0.04 6.97 6.69 1k7iA1 GLN 471 HE22 -0.26 0.02 -0.02 -0.04 7.69 7.39 1k7iA1 ALA 472 H 0.01 0.29 0.11 -0.55 8.40 8.26 1k7iA1 ALA 472 HA 0.25 0.04 0.59 -0.75 4.34 4.46 1k7iA1 ALA 472 HB3 -0.07 0.04 -0.19 -0.04 1.41 1.16 1k7iA1 ALA 473 H 0.13 0.11 0.11 -0.55 8.40 8.21 1k7iA1 ALA 473 HA 0.01 0.25 0.88 -0.75 4.34 4.72 1k7iA1 ALA 473 HB3 0.00 0.02 0.04 -0.04 1.41 1.42 1k7iA1 GLN 474 H -0.10 0.22 0.16 -0.55 8.47 8.21 1k7iA1 GLN 474 HA -0.48 0.11 0.38 -0.75 4.36 3.62 1k7iA1 GLN 474 HB2 -0.51 0.05 0.14 -0.04 2.15 1.79 1k7iA1 GLN 474 HB3 -0.32 -0.02 0.11 -0.04 2.02 1.75 1k7iA1 GLN 474 HG2 -0.68 0.03 -0.12 -0.04 2.40 1.58 1k7iA1 GLN 474 HG3 -2.93 0.02 0.04 -0.04 2.39 -0.53 1k7iA1 GLN 474 HE21 -0.08 0.03 0.00 -0.04 6.97 6.88 1k7iA1 GLN 474 HE22 -0.24 0.00 -0.03 -0.04 7.69 7.39 1k7iA1 SER 475 H -0.10 0.04 -0.22 -0.55 8.46 7.64 1k7iA1 SER 475 HA -0.08 0.17 0.43 -0.75 4.49 4.26 1k7iA1 SER 475 HB2 -0.02 0.07 0.11 -0.04 3.95 4.07 1k7iA1 SER 475 HB3 -0.05 0.01 0.07 -0.04 3.93 3.92 1k7iA1 ASP 476 H 0.01 0.48 -0.66 -0.55 8.40 7.69 1k7iA1 ASP 476 HA 0.12 0.23 0.73 -0.75 4.63 4.96 1k7iA1 ASP 476 HB2 0.21 0.15 0.05 -0.04 2.71 3.08 1k7iA1 ASP 476 HB3 0.51 0.05 0.07 -0.04 2.70 3.29 1k7iA1 ILE 477 H 0.01 0.42 -0.15 -0.55 8.25 7.98 1k7iA1 ILE 477 HA 0.12 0.11 0.90 -0.75 4.18 4.56 1k7iA1 ILE 477 HB 0.03 0.07 0.12 -0.04 1.89 2.07 1k7iA1 ILE 477 HG12 0.04 0.06 -0.02 -0.04 1.49 1.53 1k7iA1 ILE 477 HG13 0.18 -0.02 -0.12 -0.04 1.21 1.21 1k7iA1 ILE 477 HG23 0.12 -0.02 -0.22 -0.04 0.93 0.78 1k7iA1 ILE 477 HD13 0.02 -0.00 -0.26 -0.04 0.88 0.60 1k7iA1 ILE 478 H 0.13 0.71 0.30 -0.55 8.25 8.84 1k7iA1 ILE 478 HA 0.06 0.15 0.68 -0.75 4.18 4.32 1k7iA1 ILE 478 HB 0.13 -0.19 0.27 -0.04 1.89 2.06 1k7iA1 ILE 478 HG12 0.13 0.09 -0.11 -0.04 1.49 1.55 1k7iA1 ILE 478 HG13 0.10 -0.06 -0.07 -0.04 1.21 1.14 1k7iA1 ILE 478 HG23 0.07 -0.01 -0.08 -0.04 0.93 0.88 1k7iA1 ILE 478 HD13 0.06 0.04 -0.20 -0.04 0.88 0.75 1k7iA1 VAL 479 H 0.05 0.27 0.07 -0.55 8.24 8.08 1k7iA1 VAL 479 HA 0.08 0.16 0.58 -0.75 4.13 4.19 1k7iA1 VAL 479 HB 0.06 0.05 0.02 -0.04 2.12 2.21 1k7iA1 VAL 479 HG13 0.10 0.01 -0.30 -0.04 0.97 0.74 1k7iA1 VAL 479 HG23 0.05 0.04 0.04 -0.04 0.95 1.04