============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 63 rings ring int. center anis. iso. PHE 7 1.000 27.875 -62.925 -23.241 -99.200 -91.000 PHE 13 1.000 34.980 -62.165 -11.678 -99.200 -91.000 TYR 29 0.840 43.106 -53.941 -22.628 -99.200 -91.000 HIS 35 0.900 39.918 -50.847 -11.973 -99.200 -91.000 TRP 37 1.040 42.160 -47.932 -21.436 -99.200 -91.000 TRP6 37 1.020 43.229 -48.071 -23.545 -99.200 -91.000 HIS 57 0.900 18.557 -39.256 -29.666 -99.200 -91.000 TYR 59 0.840 12.112 -45.190 -36.431 -99.200 -91.000 PHE 68 1.000 29.377 -48.912 -38.614 -99.200 -91.000 PHE 107 1.000 21.353 -62.613 -49.565 -99.200 -91.000 TRP 111 1.040 16.906 -64.093 -50.758 -99.200 -91.000 TRP6 111 1.020 14.945 -64.559 -52.020 -99.200 -91.000 TYR 112 0.840 25.646 -70.012 -51.466 -99.200 -91.000 TYR 123 0.840 32.381 -78.640 -44.329 -99.200 -91.000 TRP 129 1.040 32.011 -66.844 -30.235 -99.200 -91.000 TRP6 129 1.020 30.432 -65.590 -31.452 -99.200 -91.000 HIS 132 0.900 31.991 -68.810 -35.748 -99.200 -91.000 PHE 136 1.000 26.596 -69.366 -40.343 -99.200 -91.000 PHE 141 1.000 22.395 -71.985 -43.704 -99.200 -91.000 TYR 147 0.840 37.315 -74.854 -40.895 -99.200 -91.000 TYR 149 0.840 42.206 -73.208 -37.312 -99.200 -91.000 TRP 150 1.040 44.332 -77.393 -30.550 -99.200 -91.000 TRP6 150 1.020 45.934 -75.663 -30.453 -99.200 -91.000 PHE 162 1.000 41.120 -74.752 -42.814 -99.200 -91.000 PHE 172 1.000 27.903 -74.877 -56.345 -99.200 -91.000 HIS 178 0.900 37.340 -68.302 -35.870 -99.200 -91.000 HIS 182 0.900 40.444 -70.566 -34.607 -99.200 -91.000 TRP 194 1.040 44.960 -66.860 -44.023 -99.200 -91.000 TRP6 194 1.020 42.736 -67.559 -43.749 -99.200 -91.000 HIS 203 0.900 39.283 -78.808 -56.911 -99.200 -91.000 PHE 205 1.000 32.897 -74.615 -58.789 -99.200 -91.000 PHE 207 1.000 29.135 -66.816 -49.552 -99.200 -91.000 PHE 209 1.000 28.765 -65.009 -43.037 -99.200 -91.000 PHE 210 1.000 37.677 -64.415 -45.043 -99.200 -91.000 TYR 214 0.840 38.316 -61.479 -30.951 -99.200 -91.000 PHE 217 1.000 42.045 -56.568 -29.591 -99.200 -91.000 TRP 227 1.040 48.157 -60.680 -47.116 -99.200 -91.000 TRP6 227 1.020 47.706 -62.916 -47.678 -99.200 -91.000 TYR 231 0.840 45.485 -64.879 -51.834 -99.200 -91.000 PHE 232 1.000 39.789 -66.507 -49.061 -99.200 -91.000 PHE 237 1.000 37.704 -67.346 -53.208 -99.200 -91.000 PHE 239 1.000 35.299 -61.940 -49.395 -99.200 -91.000 PHE 240 1.000 26.867 -62.575 -47.522 -99.200 -91.000 PHE 245 1.000 33.907 -51.691 -36.645 -99.200 -91.000 PHE 249 1.000 36.562 -47.796 -33.220 -99.200 -91.000 TYR 252 0.840 34.415 -55.160 -24.897 -99.200 -91.000 TRP 284 1.040 18.679 -54.683 -36.495 -99.200 -91.000 TRP6 284 1.020 20.120 -56.556 -36.556 -99.200 -91.000 PHE 305 1.000 42.887 -45.413 -39.570 -99.200 -91.000 TRP 308 1.040 40.531 -47.438 -33.115 -99.200 -91.000 TRP6 308 1.020 40.541 -48.563 -35.180 -99.200 -91.000 TRP 339 1.040 54.284 -74.612 -19.301 -99.200 -91.000 TRP6 339 1.020 51.961 -75.005 -19.148 -99.200 -91.000 HIS 341 0.900 51.108 -74.041 -24.685 -99.200 -91.000 PHE 349 1.000 39.549 -65.122 -26.566 -99.200 -91.000 PHE 351 1.000 42.101 -74.500 -27.256 -99.200 -91.000 TYR 361 0.840 43.483 -77.140 -8.043 -99.200 -91.000 HIS 367 0.900 36.322 -69.609 -5.191 -99.200 -91.000 TYR 369 0.840 34.467 -67.978 -11.595 -99.200 -91.000 TYR 388 0.840 44.779 -67.167 -6.592 -99.200 -91.000 HIS 394 0.900 53.888 -75.979 -9.606 -99.200 -91.000 TYR 405 0.840 43.266 -93.688 -22.541 -99.200 -91.000 PHE 406 1.000 36.262 -94.725 -20.736 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3ii0C1 MET 13 HA -0.01 -0.01 0.20 -0.75 4.52 3.95 3ii0C1 MET 13 HB2 0.01 0.03 0.02 -0.04 2.15 2.17 3ii0C1 MET 13 HB3 0.01 -0.08 0.05 -0.04 2.03 1.97 3ii0C1 MET 13 HG2 -0.00 0.11 -0.15 -0.04 2.63 2.54 3ii0C1 MET 13 HG3 0.00 0.01 -0.01 -0.04 2.56 2.52 3ii0C1 MET 13 HE3 0.01 0.00 -0.01 -0.04 2.10 2.06 3ii0C1 GLN 14 H -0.03 0.14 0.10 -0.55 8.47 8.13 3ii0C1 GLN 14 HA -0.08 -0.25 0.50 -0.75 4.36 3.78 3ii0C1 GLN 14 HB2 -0.05 0.09 0.12 -0.04 2.15 2.26 3ii0C1 GLN 14 HB3 -0.09 0.05 0.08 -0.04 2.02 2.02 3ii0C1 GLN 14 HG2 -0.08 -0.13 0.08 -0.04 2.40 2.22 3ii0C1 GLN 14 HG3 -0.04 0.06 0.10 -0.04 2.39 2.47 3ii0C1 GLN 14 HE21 -0.03 0.03 0.03 -0.04 6.97 6.95 3ii0C1 GLN 14 HE22 -0.03 0.01 0.04 -0.04 7.69 7.66 3ii0C1 PRO 15 HA -0.16 -0.08 0.31 -0.51 4.44 4.00 3ii0C1 PRO 15 HB2 -0.22 -0.06 0.07 -0.04 2.28 2.03 3ii0C1 PRO 15 HB3 -0.19 0.12 0.02 -0.04 2.02 1.93 3ii0C1 PRO 15 HG2 -0.06 0.04 -0.03 -0.04 2.03 1.95 3ii0C1 PRO 15 HG3 -0.07 0.06 0.04 -0.04 2.03 2.02 3ii0C1 PRO 15 HD2 -0.03 0.14 0.16 -0.04 3.68 3.91 3ii0C1 PRO 15 HD3 -0.04 0.18 0.28 -0.04 3.65 4.02 3ii0C1 VAL 16 H -0.04 0.75 0.19 -0.55 8.24 8.60 3ii0C1 VAL 16 HA -0.03 0.13 0.90 -0.75 4.13 4.37 3ii0C1 VAL 16 HB 0.13 -0.08 0.14 -0.04 2.12 2.27 3ii0C1 VAL 16 HG13 0.07 0.01 -0.12 -0.04 0.97 0.88 3ii0C1 VAL 16 HG23 0.03 0.06 -0.04 -0.04 0.95 0.96 3ii0C1 LEU 17 H -0.08 0.05 -0.31 -0.55 8.37 7.49 3ii0C1 LEU 17 HA 0.01 0.24 0.19 -0.75 4.35 4.03 3ii0C1 LEU 17 HB2 -0.04 0.05 -0.15 -0.04 1.64 1.46 3ii0C1 LEU 17 HB3 -0.06 -0.13 0.04 -0.04 1.64 1.45 3ii0C1 LEU 17 HG 0.01 0.09 -0.02 -0.04 1.64 1.68 3ii0C1 LEU 17 HD13 -0.01 0.03 0.00 -0.04 0.93 0.90 3ii0C1 LEU 17 HD23 -0.01 -0.02 -0.13 -0.04 0.89 0.68 3ii0C1 VAL 18 H -0.14 0.09 -0.18 -0.55 8.24 7.45 3ii0C1 VAL 18 HA 0.00 0.10 0.17 -0.75 4.13 3.64 3ii0C1 VAL 18 HB -0.09 -0.02 0.02 -0.04 2.12 1.99 3ii0C1 VAL 18 HG13 -0.44 0.01 -0.12 -0.04 0.97 0.38 3ii0C1 VAL 18 HG23 0.03 0.00 -0.13 -0.04 0.95 0.81 3ii0C1 PHE 19 H -0.08 0.13 -0.37 -0.55 8.34 7.46 3ii0C1 PHE 19 HA 0.04 0.06 0.54 -0.75 4.62 4.51 3ii0C1 PHE 19 HB2 0.03 0.11 0.08 -0.04 3.15 3.33 3ii0C1 PHE 19 HB3 0.04 0.06 0.02 -0.04 3.06 3.14 3ii0C1 PHE 19 HD2 0.05 0.05 -0.06 -0.04 7.28 7.29 3ii0C1 PHE 19 HE2 0.10 0.00 -0.05 -0.04 7.38 7.40 3ii0C1 PHE 19 HZ 0.15 -0.04 -0.03 -0.04 7.32 7.36 3ii0C1 LYS 20 H 0.13 0.55 -0.05 -0.55 8.42 8.49 3ii0C1 LYS 20 HA 0.09 0.05 0.56 -0.75 4.32 4.27 3ii0C1 LYS 20 HB2 0.07 0.02 0.07 -0.04 1.87 2.00 3ii0C1 LYS 20 HB3 0.06 0.09 0.12 -0.04 1.79 2.02 3ii0C1 LYS 20 HG2 0.05 0.04 -0.03 -0.04 1.46 1.48 3ii0C1 LYS 20 HG3 0.07 -0.00 -0.14 -0.04 1.46 1.35 3ii0C1 LYS 20 HD2 0.06 -0.08 0.09 -0.04 1.69 1.72 3ii0C1 LYS 20 HD3 0.06 -0.00 0.02 -0.04 1.68 1.71 3ii0C1 LYS 20 HE2 0.04 0.01 -0.02 -0.04 2.99 2.98 3ii0C1 LYS 20 HE3 0.04 0.02 -0.02 -0.04 2.99 2.99 3ii0C1 LEU 21 H 0.09 0.54 -0.11 -0.55 8.37 8.35 3ii0C1 LEU 21 HA 0.15 0.08 0.38 -0.75 4.35 4.21 3ii0C1 LEU 21 HB2 0.08 0.04 0.11 -0.04 1.64 1.83 3ii0C1 LEU 21 HB3 0.12 -0.04 -0.15 -0.04 1.64 1.52 3ii0C1 LEU 21 HG 0.09 0.01 -0.08 -0.04 1.64 1.62 3ii0C1 LEU 21 HD13 0.10 -0.00 -0.34 -0.04 0.93 0.65 3ii0C1 LEU 21 HD23 0.27 0.03 -0.03 -0.04 0.89 1.12 3ii0C1 THR 22 H 0.11 0.40 -0.16 -0.55 8.28 8.07 3ii0C1 THR 22 HA 0.02 0.01 0.44 -0.75 4.39 4.11 3ii0C1 THR 22 HB 0.15 0.11 0.16 -0.04 4.32 4.70 3ii0C1 THR 22 HG23 0.08 0.00 -0.07 -0.04 1.22 1.19 3ii0C1 ALA 23 H 0.09 0.47 -0.19 -0.55 8.40 8.23 3ii0C1 ALA 23 HA 0.04 -0.00 0.40 -0.75 4.34 4.02 3ii0C1 ALA 23 HB3 0.05 0.01 0.11 -0.04 1.41 1.54 3ii0C1 ASP 24 H 0.05 0.57 -0.15 -0.55 8.40 8.33 3ii0C1 ASP 24 HA 0.04 0.01 0.43 -0.75 4.63 4.35 3ii0C1 ASP 24 HB2 0.12 0.07 0.18 -0.04 2.71 3.04 3ii0C1 ASP 24 HB3 0.23 -0.01 -0.03 -0.04 2.70 2.85 3ii0C1 PHE 25 H -0.20 0.62 -0.04 -0.55 8.34 8.17 3ii0C1 PHE 25 HA -0.75 0.04 0.47 -0.75 4.62 3.63 3ii0C1 PHE 25 HB2 -0.90 -0.07 0.09 -0.04 3.15 2.22 3ii0C1 PHE 25 HB3 -0.29 0.08 0.22 -0.04 3.06 3.03 3ii0C1 PHE 25 HD2 -0.13 0.03 -0.09 -0.04 7.28 7.05 3ii0C1 PHE 25 HE2 0.01 0.01 -0.29 -0.04 7.38 7.07 3ii0C1 PHE 25 HZ -0.00 0.07 -0.06 -0.04 7.32 7.28 3ii0C1 ARG 26 H 0.04 0.53 -0.07 -0.55 8.46 8.40 3ii0C1 ARG 26 HA -0.27 0.02 0.35 -0.75 4.34 3.68 3ii0C1 ARG 26 HB2 0.00 0.09 0.14 -0.04 1.90 2.09 3ii0C1 ARG 26 HB3 -0.03 -0.05 -0.02 -0.04 1.80 1.66 3ii0C1 ARG 26 HG2 0.05 -0.01 0.03 -0.04 1.67 1.70 3ii0C1 ARG 26 HG3 0.16 0.06 0.05 -0.04 1.67 1.90 3ii0C1 ARG 26 HD2 0.02 -0.01 -0.03 -0.04 3.22 3.17 3ii0C1 ARG 26 HD3 0.02 -0.02 -0.01 -0.04 3.22 3.17 3ii0C1 GLU 27 H -0.06 0.36 -0.30 -0.55 8.60 8.05 3ii0C1 GLU 27 HA -0.05 0.02 0.53 -0.75 4.29 4.04 3ii0C1 GLU 27 HB2 -0.00 0.11 0.13 -0.04 2.09 2.29 3ii0C1 GLU 27 HB3 -0.00 -0.08 0.02 -0.04 1.99 1.89 3ii0C1 ASP 28 H -0.12 0.37 -0.29 -0.55 8.40 7.82 3ii0C1 ASP 28 HA 0.04 -0.04 0.44 -0.75 4.63 4.32 3ii0C1 ASP 28 HB2 0.11 0.06 0.18 -0.04 2.71 3.02 3ii0C1 ASP 28 HB3 -0.09 0.15 0.23 -0.04 2.70 2.95 3ii0C1 PRO 29 HA -0.07 0.16 0.58 -0.51 4.44 4.59 3ii0C1 PRO 29 HB2 -0.04 -0.04 0.05 -0.04 2.28 2.20 3ii0C1 PRO 29 HB3 -0.03 0.03 0.12 -0.04 2.02 2.09 3ii0C1 PRO 29 HG2 -0.02 -0.03 0.06 -0.04 2.03 2.00 3ii0C1 PRO 29 HG3 -0.01 0.00 0.10 -0.04 2.03 2.09 3ii0C1 PRO 29 HD2 0.03 0.00 0.26 -0.04 3.68 3.93 3ii0C1 PRO 29 HD3 0.00 0.32 0.32 -0.04 3.65 4.25 3ii0C1 ASP 30 H -0.10 0.07 -0.13 -0.55 8.40 7.70 3ii0C1 ASP 30 HA -0.16 0.09 0.59 -0.75 4.63 4.40 3ii0C1 ASP 30 HB2 -0.50 0.01 0.10 -0.04 2.71 2.28 3ii0C1 ASP 30 HB3 -0.50 0.03 0.08 -0.04 2.70 2.27 3ii0C1 PRO 31 HA -0.09 0.18 0.43 -0.51 4.44 4.45 3ii0C1 PRO 31 HB2 -0.08 -0.00 0.09 -0.04 2.28 2.25 3ii0C1 PRO 31 HB3 -0.07 0.04 0.12 -0.04 2.02 2.07 3ii0C1 PRO 31 HG2 -0.09 -0.00 0.02 -0.04 2.03 1.92 3ii0C1 PRO 31 HG3 -0.07 0.01 0.10 -0.04 2.03 2.03 3ii0C1 PRO 31 HD2 -0.12 0.02 0.21 -0.04 3.68 3.75 3ii0C1 PRO 31 HD3 -0.09 0.28 0.33 -0.04 3.65 4.13 3ii0C1 ARG 32 H -0.15 0.05 -0.34 -0.55 8.46 7.47 3ii0C1 ARG 32 HA -0.25 0.10 0.70 -0.75 4.34 4.13 3ii0C1 ARG 32 HB2 -0.10 0.02 -0.08 -0.04 1.90 1.70 3ii0C1 ARG 32 HB3 -0.49 0.04 0.04 -0.04 1.80 1.34 3ii0C1 ARG 32 HG2 -0.31 -0.02 0.00 -0.04 1.67 1.30 3ii0C1 ARG 32 HG3 -0.15 -0.08 -0.03 -0.04 1.67 1.37 3ii0C1 ARG 32 HD2 0.07 0.03 -0.01 -0.04 3.22 3.27 3ii0C1 ARG 32 HD3 -0.01 -0.05 -0.01 -0.04 3.22 3.10 3ii0C1 LYS 33 H -0.03 0.23 -0.32 -0.55 8.42 7.74 3ii0C1 LYS 33 HA 0.29 0.20 0.18 -0.75 4.32 4.24 3ii0C1 LYS 33 HB2 0.33 -0.07 0.08 -0.04 1.87 2.17 3ii0C1 LYS 33 HB3 0.12 0.01 0.14 -0.04 1.79 2.01 3ii0C1 LYS 33 HG2 -0.09 -0.01 0.04 -0.04 1.46 1.36 3ii0C1 LYS 33 HG3 -0.11 -0.13 -0.13 -0.04 1.46 1.05 3ii0C1 LYS 33 HD2 -0.60 -0.01 0.06 -0.04 1.69 1.10 3ii0C1 LYS 33 HD3 -0.22 0.15 -0.01 -0.04 1.68 1.56 3ii0C1 LYS 33 HE2 -0.30 -0.10 -0.04 -0.04 2.99 2.51 3ii0C1 LYS 33 HE3 -0.95 -0.19 -0.08 -0.04 2.99 1.74 3ii0C1 VAL 34 H 0.43 0.49 0.32 -0.55 8.24 8.94 3ii0C1 VAL 34 HA 0.27 0.13 0.74 -0.75 4.13 4.52 3ii0C1 VAL 34 HB 0.19 -0.08 0.08 -0.04 2.12 2.28 3ii0C1 VAL 34 HG13 0.06 -0.03 -0.20 -0.04 0.97 0.75 3ii0C1 VAL 34 HG23 0.15 0.08 -0.14 -0.04 0.95 1.00 3ii0C1 ASN 35 H -0.28 0.24 0.10 -0.55 8.53 8.04 3ii0C1 ASN 35 HA -0.29 0.07 0.90 -0.75 4.76 4.68 3ii0C1 ASN 35 HB2 -2.55 0.08 0.09 -0.04 2.88 0.46 3ii0C1 ASN 35 HB3 -0.63 0.06 0.19 -0.04 2.79 2.37 3ii0C1 ASN 35 HD21 -0.16 -0.13 0.02 -0.04 7.03 6.72 3ii0C1 ASN 35 HD22 -0.39 0.10 0.02 -0.04 7.74 7.42 3ii0C1 LEU 36 H 0.02 0.61 0.28 -0.55 8.37 8.73 3ii0C1 LEU 36 HA -0.01 0.22 0.89 -0.75 4.35 4.69 3ii0C1 LEU 36 HB2 0.04 0.14 0.07 -0.04 1.64 1.84 3ii0C1 LEU 36 HB3 0.04 -0.20 0.23 -0.04 1.64 1.67 3ii0C1 LEU 36 HG 0.04 0.01 -0.34 -0.04 1.64 1.30 3ii0C1 LEU 36 HD13 0.03 -0.01 -0.13 -0.04 0.93 0.77 3ii0C1 LEU 36 HD23 -0.00 0.10 -0.24 -0.04 0.89 0.70 3ii0C1 GLY 37 H -0.02 0.04 -0.18 -0.55 8.43 7.72 3ii0C1 GLY 37 HA2 0.07 0.08 0.49 -0.51 4.01 4.14 3ii0C1 GLY 37 HA3 0.05 -0.05 0.24 -0.51 4.01 3.75 3ii0C1 VAL 38 H 0.05 0.11 0.04 -0.55 8.24 7.89 3ii0C1 VAL 38 HA 0.13 -0.08 0.17 -0.75 4.13 3.61 3ii0C1 VAL 38 HB 0.13 0.04 0.02 -0.04 2.12 2.27 3ii0C1 VAL 38 HG13 0.03 0.01 -0.11 -0.04 0.97 0.87 3ii0C1 VAL 38 HG23 0.21 -0.01 -0.18 -0.04 0.95 0.93 3ii0C1 GLY 39 H 0.30 0.03 0.06 -0.55 8.43 8.27 3ii0C1 GLY 39 HA2 0.03 0.16 0.47 -0.51 4.01 4.17 3ii0C1 GLY 39 HA3 0.26 -0.07 0.34 -0.51 4.01 4.02 3ii0C1 ALA 40 H 0.04 0.62 -0.07 -0.55 8.40 8.44 3ii0C1 ALA 40 HA 0.15 0.03 0.80 -0.75 4.34 4.56 3ii0C1 ALA 40 HB3 -0.21 0.01 -0.11 -0.04 1.41 1.07 3ii0C1 TYR 41 H 0.47 0.04 0.09 -0.55 8.29 8.35 3ii0C1 TYR 41 HA 0.09 0.05 0.40 -0.75 4.56 4.34 3ii0C1 TYR 41 HB2 0.31 -0.06 0.11 -0.04 3.06 3.37 3ii0C1 TYR 41 HB3 0.35 -0.04 0.09 -0.04 2.98 3.34 3ii0C1 TYR 41 HD2 0.27 -0.09 -0.09 -0.04 7.15 7.20 3ii0C1 TYR 41 HE2 -0.16 -0.03 -0.04 -0.04 6.85 6.58 3ii0C1 ARG 42 H -0.73 0.34 0.27 -0.55 8.46 7.79 3ii0C1 ARG 42 HA -0.13 0.20 0.75 -0.75 4.34 4.40 3ii0C1 ARG 42 HB2 -0.23 0.33 0.17 -0.04 1.90 2.13 3ii0C1 ARG 42 HB3 -0.16 -0.13 0.01 -0.04 1.80 1.49 3ii0C1 ARG 42 HG2 -0.08 0.01 -0.50 -0.04 1.67 1.06 3ii0C1 ARG 42 HG3 -0.09 0.03 -0.10 -0.04 1.67 1.47 3ii0C1 ARG 42 HD2 -0.01 0.00 -0.61 -0.04 3.22 2.56 3ii0C1 ARG 42 HD3 0.01 0.04 -0.51 -0.04 3.22 2.72 3ii0C1 THR 43 H -0.10 0.50 0.22 -0.55 8.28 8.35 3ii0C1 THR 43 HA -0.27 0.15 0.66 -0.75 4.39 4.18 3ii0C1 THR 43 HB -0.13 -0.06 0.18 -0.04 4.32 4.27 3ii0C1 THR 43 HG23 -0.00 0.09 -0.06 -0.04 1.22 1.20 3ii0C1 ASP 44 H -0.14 0.16 0.18 -0.55 8.40 8.05 3ii0C1 ASP 44 HA -0.12 0.20 0.57 -0.75 4.63 4.53 3ii0C1 ASP 44 HB2 -0.09 0.05 0.19 -0.04 2.71 2.82 3ii0C1 ASP 44 HB3 -0.07 0.03 0.05 -0.04 2.70 2.67 3ii0C1 ASP 45 H -0.13 0.00 -0.34 -0.55 8.40 7.39 3ii0C1 ASP 45 HA -0.15 0.20 0.80 -0.75 4.63 4.72 3ii0C1 ASP 45 HB2 -0.17 -0.05 -0.01 -0.04 2.71 2.44 3ii0C1 ASP 45 HB3 -0.25 0.08 0.11 -0.04 2.70 2.60 3ii0C1 CYS 46 H -0.18 0.48 -0.41 -0.55 8.50 7.84 3ii0C1 CYS 46 HA -0.14 0.14 0.24 -0.75 4.58 4.07 3ii0C1 CYS 46 HB2 -0.11 -0.09 -0.32 -0.04 2.97 2.40 3ii0C1 CYS 46 HB3 -0.13 0.13 0.16 -0.04 2.97 3.09 3ii0C1 HIS 47 H -0.10 -0.13 -0.11 -0.55 8.41 7.52 3ii0C1 HIS 47 HA 0.03 0.31 0.95 -0.75 4.63 5.17 3ii0C1 HIS 47 HB2 0.07 -0.14 -0.02 -0.04 3.26 3.13 3ii0C1 HIS 47 HB3 0.08 0.09 0.09 -0.04 3.20 3.42 3ii0C1 HIS 47 HD2 0.04 -0.10 -0.05 -0.04 6.97 6.82 3ii0C1 HIS 47 HE1 0.02 0.01 -0.02 -0.04 7.75 7.72 3ii0C1 PRO 48 HA 0.18 0.22 0.61 -0.51 4.44 4.94 3ii0C1 PRO 48 HB2 0.13 -0.04 -0.05 -0.04 2.28 2.28 3ii0C1 PRO 48 HB3 0.11 0.02 0.06 -0.04 2.02 2.16 3ii0C1 PRO 48 HG2 0.07 0.03 0.07 -0.04 2.03 2.15 3ii0C1 PRO 48 HG3 0.07 0.07 0.06 -0.04 2.03 2.18 3ii0C1 PRO 48 HD2 0.14 0.08 0.22 -0.04 3.68 4.08 3ii0C1 PRO 48 HD3 0.15 0.24 0.17 -0.04 3.65 4.17 3ii0C1 TRP 49 H 0.48 0.24 0.07 -0.55 7.97 8.22 3ii0C1 TRP 49 HA 0.15 0.19 0.88 -0.75 4.62 5.08 3ii0C1 TRP 49 HB2 0.33 0.02 -0.13 -0.04 3.23 3.41 3ii0C1 TRP 49 HB3 0.34 -0.04 0.06 -0.04 3.23 3.55 3ii0C1 TRP 49 HD1 0.12 0.04 0.02 -0.04 7.22 7.36 3ii0C1 TRP 49 HE1 0.07 -0.01 -0.01 -0.04 10.20 10.20 3ii0C1 TRP 49 HE3 -0.10 -0.00 -0.08 -0.04 7.59 7.36 3ii0C1 TRP 49 HZ2 0.02 -0.00 0.03 -0.04 7.44 7.44 3ii0C1 TRP 49 HZ3 -0.19 0.11 -0.01 -0.04 7.13 7.00 3ii0C1 TRP 49 HH2 -0.06 -0.02 0.09 -0.04 7.19 7.16 3ii0C1 VAL 50 H 0.05 0.20 -0.03 -0.55 8.24 7.91 3ii0C1 VAL 50 HA -0.07 0.10 0.72 -0.75 4.13 4.13 3ii0C1 VAL 50 HB -0.07 0.00 0.08 -0.04 2.12 2.09 3ii0C1 VAL 50 HG13 -0.07 0.02 -0.13 -0.04 0.97 0.74 3ii0C1 VAL 50 HG23 0.03 0.02 -0.02 -0.04 0.95 0.93 3ii0C1 LEU 51 H -0.28 0.19 0.10 -0.55 8.37 7.83 3ii0C1 LEU 51 HA -1.59 0.16 0.27 -0.75 4.35 2.44 3ii0C1 LEU 51 HB2 -0.21 0.01 0.13 -0.04 1.64 1.52 3ii0C1 LEU 51 HB3 -0.31 -0.15 0.02 -0.04 1.64 1.15 3ii0C1 LEU 51 HG -0.50 0.02 -0.03 -0.04 1.64 1.09 3ii0C1 LEU 51 HD13 -0.16 0.04 -0.13 -0.04 0.93 0.64 3ii0C1 LEU 51 HD23 0.00 0.02 -0.04 -0.04 0.89 0.83 3ii0C1 PRO 52 HA -0.12 0.11 0.44 -0.51 4.44 4.36 3ii0C1 PRO 52 HB2 -0.03 -0.00 0.08 -0.04 2.28 2.28 3ii0C1 PRO 52 HB3 -0.01 0.07 0.09 -0.04 2.02 2.13 3ii0C1 PRO 52 HG2 0.10 0.06 0.10 -0.04 2.03 2.26 3ii0C1 PRO 52 HG3 0.08 0.10 0.10 -0.04 2.03 2.26 3ii0C1 PRO 52 HD2 -0.66 0.08 0.23 -0.04 3.68 3.29 3ii0C1 PRO 52 HD3 -0.81 0.28 0.18 -0.04 3.65 3.26 3ii0C1 VAL 53 H -0.10 0.16 -0.19 -0.55 8.24 7.56 3ii0C1 VAL 53 HA -0.01 0.08 0.30 -0.75 4.13 3.75 3ii0C1 VAL 53 HB 0.03 0.02 -0.02 -0.04 2.12 2.11 3ii0C1 VAL 53 HG13 0.04 0.00 -0.08 -0.04 0.97 0.90 3ii0C1 VAL 53 HG23 0.05 0.04 0.03 -0.04 0.95 1.03 3ii0C1 VAL 54 H -0.08 0.14 -0.36 -0.55 8.24 7.39 3ii0C1 VAL 54 HA 0.01 0.04 0.50 -0.75 4.13 3.93 3ii0C1 VAL 54 HB -0.07 0.11 0.10 -0.04 2.12 2.22 3ii0C1 VAL 54 HG13 -0.00 0.00 -0.12 -0.04 0.97 0.81 3ii0C1 VAL 54 HG23 0.10 0.04 0.03 -0.04 0.95 1.08 3ii0C1 LYS 55 H -0.08 0.46 -0.15 -0.55 8.42 8.10 3ii0C1 LYS 55 HA -0.03 0.03 0.34 -0.75 4.32 3.91 3ii0C1 LYS 55 HB2 -0.05 0.09 0.13 -0.04 1.87 2.00 3ii0C1 LYS 55 HB3 -0.02 -0.01 -0.03 -0.04 1.79 1.69 3ii0C1 LYS 55 HG2 -0.04 -0.03 -0.04 -0.04 1.46 1.31 3ii0C1 LYS 55 HG3 -0.10 0.08 -0.17 -0.04 1.46 1.23 3ii0C1 LYS 56 H -0.03 0.56 -0.09 -0.55 8.42 8.31 3ii0C1 LYS 56 HA -0.01 0.03 0.40 -0.75 4.32 3.99 3ii0C1 LYS 56 HB2 -0.01 0.03 0.09 -0.04 1.87 1.94 3ii0C1 LYS 56 HB3 -0.00 0.09 0.13 -0.04 1.79 1.96 3ii0C1 LYS 56 HG2 0.00 -0.01 -0.19 -0.04 1.46 1.22 3ii0C1 LYS 56 HG3 0.00 -0.01 0.01 -0.04 1.46 1.43 3ii0C1 LYS 56 HD2 0.01 -0.02 -0.03 -0.04 1.69 1.61 3ii0C1 LYS 56 HD3 0.01 -0.01 -0.04 -0.04 1.68 1.60 3ii0C1 LYS 56 HE2 0.01 0.01 -0.02 -0.04 2.99 2.95 3ii0C1 LYS 56 HE3 0.01 0.02 -0.03 -0.04 2.99 2.94 3ii0C1 VAL 57 H -0.01 0.43 -0.26 -0.55 8.24 7.85 3ii0C1 VAL 57 HA -0.01 0.03 0.37 -0.75 4.13 3.77 3ii0C1 VAL 57 HB -0.01 0.06 0.17 -0.04 2.12 2.30 3ii0C1 VAL 57 HG13 -0.04 -0.00 -0.05 -0.04 0.97 0.84 3ii0C1 VAL 57 HG23 0.00 0.03 0.02 -0.04 0.95 0.96 3ii0C1 GLU 58 H -0.02 0.62 -0.10 -0.55 8.60 8.56 3ii0C1 GLU 58 HA -0.03 -0.02 0.43 -0.75 4.29 3.93 3ii0C1 GLU 58 HB2 -0.02 0.13 0.13 -0.04 2.09 2.30 3ii0C1 GLU 58 HB3 -0.02 -0.03 -0.07 -0.04 1.99 1.84 3ii0C1 GLU 58 HG2 -0.03 -0.07 0.02 -0.04 2.34 2.23 3ii0C1 GLU 58 HG3 -0.02 0.08 0.07 -0.04 2.34 2.43 3ii0C1 GLN 59 H -0.01 0.48 -0.24 -0.55 8.47 8.15 3ii0C1 GLN 59 HA -0.01 0.04 0.53 -0.75 4.36 4.16 3ii0C1 GLN 59 HB2 -0.01 0.15 0.15 -0.04 2.15 2.40 3ii0C1 GLN 59 HB3 -0.01 -0.03 -0.04 -0.04 2.02 1.90 3ii0C1 GLN 59 HG2 -0.01 0.09 0.04 -0.04 2.40 2.48 3ii0C1 GLN 59 HG3 -0.00 -0.04 -0.01 -0.04 2.39 2.30 3ii0C1 GLN 59 HE21 -0.01 0.00 -0.02 -0.04 6.97 6.90 3ii0C1 GLN 59 HE22 -0.01 -0.01 -0.06 -0.04 7.69 7.58 3ii0C1 LYS 60 H -0.01 0.41 -0.14 -0.55 8.42 8.13 3ii0C1 LYS 60 HA -0.01 0.02 0.40 -0.75 4.32 3.98 3ii0C1 LYS 60 HB2 -0.02 0.12 0.19 -0.04 1.87 2.12 3ii0C1 LYS 60 HB3 -0.02 -0.04 -0.02 -0.04 1.79 1.67 3ii0C1 LYS 60 HG2 -0.01 -0.03 0.02 -0.04 1.46 1.41 3ii0C1 LYS 60 HG3 -0.01 0.10 0.06 -0.04 1.46 1.57 3ii0C1 ILE 61 H -0.02 0.52 -0.13 -0.55 8.25 8.07 3ii0C1 ILE 61 HA -0.03 -0.01 0.37 -0.75 4.18 3.75 3ii0C1 ILE 61 HB -0.03 0.11 0.15 -0.04 1.89 2.07 3ii0C1 ILE 61 HG12 -0.05 -0.05 -0.02 -0.04 1.49 1.33 3ii0C1 ILE 61 HG13 -0.04 0.17 0.04 -0.04 1.21 1.35 3ii0C1 ILE 61 HG23 -0.04 -0.01 -0.15 -0.04 0.93 0.69 3ii0C1 ILE 61 HD13 -0.06 -0.04 -0.14 -0.04 0.88 0.60 3ii0C1 ALA 62 H -0.02 0.54 -0.17 -0.55 8.40 8.20 3ii0C1 ALA 62 HA -0.01 -0.00 0.42 -0.75 4.34 4.00 3ii0C1 ALA 62 HB3 -0.01 0.01 0.12 -0.04 1.41 1.49 3ii0C1 ASN 63 H -0.02 0.46 -0.29 -0.55 8.53 8.14 3ii0C1 ASN 63 HA -0.01 0.10 0.59 -0.75 4.76 4.68 3ii0C1 ASN 63 HB2 -0.01 0.07 0.11 -0.04 2.88 3.01 3ii0C1 ASN 63 HB3 -0.01 -0.10 0.16 -0.04 2.79 2.80 3ii0C1 ASN 63 HD21 -0.01 -0.07 -0.03 -0.04 7.03 6.88 3ii0C1 ASN 63 HD22 -0.01 -0.03 -0.07 -0.04 7.74 7.60 3ii0C1 ASP 64 H -0.03 0.45 -0.49 -0.55 8.40 7.78 3ii0C1 ASP 64 HA -0.02 0.02 0.75 -0.75 4.63 4.63 3ii0C1 ASP 64 HB2 -0.03 0.10 0.06 -0.04 2.71 2.80 3ii0C1 ASP 64 HB3 -0.04 0.11 0.26 -0.04 2.70 2.98 3ii0C1 ASN 65 H -0.02 0.24 0.15 -0.55 8.53 8.35 3ii0C1 ASN 65 HA -0.03 0.18 0.41 -0.75 4.76 4.56 3ii0C1 ASN 65 HB2 -0.02 0.06 0.07 -0.04 2.88 2.96 3ii0C1 ASN 65 HB3 -0.02 -0.04 0.06 -0.04 2.79 2.75 3ii0C1 ASN 65 HD21 -0.01 -0.02 0.02 -0.04 7.03 6.98 3ii0C1 ASN 65 HD22 -0.01 -0.02 0.00 -0.04 7.74 7.67 3ii0C1 SER 66 H -0.03 0.00 -0.31 -0.55 8.46 7.58 3ii0C1 SER 66 HA -0.03 0.13 0.62 -0.75 4.49 4.45 3ii0C1 SER 66 HB2 -0.03 -0.01 0.07 -0.04 3.95 3.95 3ii0C1 SER 66 HB3 -0.02 -0.03 0.05 -0.04 3.93 3.88 3ii0C1 LEU 67 H -0.06 0.31 -0.25 -0.55 8.37 7.83 3ii0C1 LEU 67 HA -0.08 -0.02 0.51 -0.75 4.35 4.01 3ii0C1 LEU 67 HB2 -0.11 0.19 0.13 -0.04 1.64 1.80 3ii0C1 LEU 67 HB3 -0.13 0.01 0.04 -0.04 1.64 1.52 3ii0C1 LEU 67 HG -0.06 -0.07 0.03 -0.04 1.64 1.50 3ii0C1 LEU 67 HD13 -0.07 0.04 0.05 -0.04 0.93 0.91 3ii0C1 LEU 67 HD23 -0.06 -0.02 -0.03 -0.04 0.89 0.74 3ii0C1 ASN 68 H -0.11 0.08 0.20 -0.55 8.53 8.15 3ii0C1 ASN 68 HA -0.17 0.24 0.82 -0.75 4.76 4.89 3ii0C1 ASN 68 HB2 -0.05 -0.09 0.16 -0.04 2.88 2.85 3ii0C1 ASN 68 HB3 -0.06 0.14 -0.05 -0.04 2.79 2.78 3ii0C1 ASN 68 HD21 -0.02 -0.01 0.01 -0.04 7.03 6.97 3ii0C1 ASN 68 HD22 -0.03 0.08 0.01 -0.04 7.74 7.75 3ii0C1 HIS 69 H -0.02 0.15 0.10 -0.55 8.41 8.10 3ii0C1 HIS 69 HA -0.04 0.22 0.89 -0.75 4.63 4.95 3ii0C1 HIS 69 HB2 -0.06 -0.00 0.08 -0.04 3.26 3.24 3ii0C1 HIS 69 HB3 -0.07 0.00 0.18 -0.04 3.20 3.28 3ii0C1 HIS 69 HD2 -0.04 0.01 -0.04 -0.04 6.97 6.86 3ii0C1 HIS 69 HE1 -0.04 -0.04 -0.05 -0.04 7.75 7.58 3ii0C1 GLU 70 H -0.02 0.02 -0.17 -0.55 8.60 7.88 3ii0C1 GLU 70 HA -0.09 0.05 0.36 -0.75 4.29 3.87 3ii0C1 GLU 70 HB2 0.00 0.00 0.00 -0.04 2.09 2.05 3ii0C1 GLU 70 HB3 0.01 0.06 0.04 -0.04 1.99 2.05 3ii0C1 GLU 70 HG2 -0.02 -0.11 0.04 -0.04 2.34 2.21 3ii0C1 GLU 70 HG3 -0.01 0.04 0.02 -0.04 2.34 2.35 3ii0C1 TYR 71 H -0.08 0.05 0.13 -0.55 8.29 7.85 3ii0C1 TYR 71 HA 0.03 0.03 0.30 -0.75 4.56 4.16 3ii0C1 TYR 71 HB2 0.02 -0.09 0.08 -0.04 3.06 3.03 3ii0C1 TYR 71 HB3 0.03 0.23 -0.05 -0.04 2.98 3.15 3ii0C1 TYR 71 HD2 0.03 -0.00 0.03 -0.04 7.15 7.16 3ii0C1 TYR 71 HE2 0.02 0.00 0.01 -0.04 6.85 6.84 3ii0C1 LEU 72 H 0.14 0.10 0.13 -0.55 8.37 8.19 3ii0C1 LEU 72 HA 0.06 0.06 0.66 -0.75 4.35 4.38 3ii0C1 LEU 72 HB2 0.07 0.13 0.02 -0.04 1.64 1.82 3ii0C1 LEU 72 HB3 0.05 -0.07 -0.03 -0.04 1.64 1.55 3ii0C1 LEU 72 HG 0.04 0.05 0.02 -0.04 1.64 1.70 3ii0C1 LEU 72 HD13 -0.02 -0.03 -0.16 -0.04 0.93 0.68 3ii0C1 LEU 72 HD23 0.01 -0.02 -0.01 -0.04 0.89 0.83 3ii0C1 PRO 73 HA 0.03 0.11 0.53 -0.51 4.44 4.61 3ii0C1 PRO 73 HB2 0.03 -0.08 0.01 -0.04 2.28 2.20 3ii0C1 PRO 73 HB3 0.02 0.04 0.13 -0.04 2.02 2.17 3ii0C1 PRO 73 HG2 0.02 0.02 0.09 -0.04 2.03 2.13 3ii0C1 PRO 73 HG3 0.03 0.08 0.08 -0.04 2.03 2.18 3ii0C1 PRO 73 HD2 0.04 0.05 -0.02 -0.04 3.68 3.71 3ii0C1 PRO 73 HD3 0.04 0.13 0.17 -0.04 3.65 3.95 3ii0C1 ILE 74 H 0.01 0.13 0.18 -0.55 8.25 8.02 3ii0C1 ILE 74 HA 0.04 0.21 0.45 -0.75 4.18 4.12 3ii0C1 ILE 74 HB -0.00 -0.13 0.17 -0.04 1.89 1.89 3ii0C1 ILE 74 HG12 -0.04 0.28 0.17 -0.04 1.49 1.86 3ii0C1 ILE 74 HG13 -0.03 -0.10 0.18 -0.04 1.21 1.21 3ii0C1 ILE 74 HG23 -0.03 0.05 -0.03 -0.04 0.93 0.89 3ii0C1 ILE 74 HD13 -0.03 0.01 0.06 -0.04 0.88 0.88 3ii0C1 LEU 75 H 0.03 0.01 -0.20 -0.55 8.37 7.66 3ii0C1 LEU 75 HA 0.08 0.15 0.53 -0.75 4.35 4.35 3ii0C1 LEU 75 HB2 0.03 -0.00 0.00 -0.04 1.64 1.63 3ii0C1 LEU 75 HB3 0.03 0.02 0.15 -0.04 1.64 1.81 3ii0C1 LEU 75 HG 0.01 -0.05 0.02 -0.04 1.64 1.57 3ii0C1 LEU 75 HD13 -0.01 0.01 -0.00 -0.04 0.93 0.88 3ii0C1 LEU 75 HD23 -0.00 0.04 -0.05 -0.04 0.89 0.83 3ii0C1 GLY 76 H 0.07 0.28 -0.35 -0.55 8.43 7.88 3ii0C1 GLY 76 HA2 0.07 0.14 0.21 -0.51 4.01 3.92 3ii0C1 GLY 76 HA3 0.11 0.07 0.73 -0.51 4.01 4.41 3ii0C1 LEU 77 H 0.05 0.14 0.11 -0.55 8.37 8.12 3ii0C1 LEU 77 HA 0.03 0.12 0.48 -0.75 4.35 4.22 3ii0C1 LEU 77 HB2 -0.02 0.14 0.11 -0.04 1.64 1.83 3ii0C1 LEU 77 HB3 0.06 -0.07 0.14 -0.04 1.64 1.73 3ii0C1 LEU 77 HG 0.03 -0.31 -0.11 -0.04 1.64 1.21 3ii0C1 LEU 77 HD13 -0.01 0.05 0.03 -0.04 0.93 0.96 3ii0C1 LEU 77 HD23 -0.03 0.04 -0.11 -0.04 0.89 0.74 3ii0C1 ALA 78 H 0.02 0.22 0.22 -0.55 8.40 8.31 3ii0C1 ALA 78 HA 0.02 0.17 0.13 -0.75 4.34 3.90 3ii0C1 ALA 78 HB3 0.00 0.05 0.10 -0.04 1.41 1.51 3ii0C1 GLU 79 H 0.01 0.08 -0.10 -0.55 8.60 8.05 3ii0C1 GLU 79 HA -0.02 0.00 0.34 -0.75 4.29 3.85 3ii0C1 GLU 79 HB2 -0.00 0.00 -0.03 -0.04 2.09 2.02 3ii0C1 GLU 79 HB3 -0.02 0.00 0.00 -0.04 1.99 1.93 3ii0C1 GLU 79 HG2 -0.01 0.09 -0.00 -0.04 2.34 2.37 3ii0C1 GLU 79 HG3 -0.01 0.00 0.01 -0.04 2.34 2.30 3ii0C1 PHE 80 H 0.11 0.10 -0.30 -0.55 8.34 7.70 3ii0C1 PHE 80 HA -0.16 0.06 0.51 -0.75 4.62 4.28 3ii0C1 PHE 80 HB2 -0.16 0.06 0.05 -0.04 3.15 3.07 3ii0C1 PHE 80 HB3 -0.09 0.11 0.08 -0.04 3.06 3.11 3ii0C1 PHE 80 HD2 -0.22 0.03 -0.06 -0.04 7.28 6.98 3ii0C1 PHE 80 HE2 -0.44 0.05 -0.07 -0.04 7.38 6.89 3ii0C1 PHE 80 HZ 0.11 -0.06 -0.37 -0.04 7.32 6.95 3ii0C1 ARG 81 H 0.04 0.57 -0.17 -0.55 8.46 8.35 3ii0C1 ARG 81 HA -0.40 -0.02 0.26 -0.75 4.34 3.42 3ii0C1 ARG 81 HB2 -0.02 0.12 0.03 -0.04 1.90 1.99 3ii0C1 ARG 81 HB3 -0.06 -0.03 -0.10 -0.04 1.80 1.57 3ii0C1 ARG 81 HG2 0.08 -0.09 -0.28 -0.04 1.67 1.34 3ii0C1 ARG 81 HG3 0.22 -0.09 -0.08 -0.04 1.67 1.68 3ii0C1 ARG 81 HD2 0.10 0.16 -0.35 -0.04 3.22 3.08 3ii0C1 ARG 81 HD3 0.07 -0.03 -0.61 -0.04 3.22 2.60 3ii0C1 SER 82 H -0.10 0.42 -0.26 -0.55 8.46 7.98 3ii0C1 SER 82 HA -0.08 0.07 0.31 -0.75 4.49 4.04 3ii0C1 SER 82 HB2 -0.06 0.02 0.03 -0.04 3.95 3.90 3ii0C1 SER 82 HB3 -0.06 0.01 -0.06 -0.04 3.93 3.79 3ii0C1 CYS 83 H -0.14 0.46 -0.17 -0.55 8.50 8.09 3ii0C1 CYS 83 HA -0.07 0.07 0.37 -0.75 4.58 4.19 3ii0C1 CYS 83 HB2 -0.17 0.05 0.14 -0.04 2.97 2.94 3ii0C1 CYS 83 HB3 -0.10 -0.05 -0.09 -0.04 2.97 2.68 3ii0C1 ALA 84 H -0.41 0.65 -0.21 -0.55 8.40 7.89 3ii0C1 ALA 84 HA 0.02 -0.02 0.32 -0.75 4.34 3.90 3ii0C1 ALA 84 HB3 -0.47 0.02 -0.04 -0.04 1.41 0.88 3ii0C1 SER 85 H -0.13 0.61 -0.19 -0.55 8.46 8.20 3ii0C1 SER 85 HA -0.03 -0.03 0.29 -0.75 4.49 3.97 3ii0C1 SER 85 HB2 -0.07 0.12 0.00 -0.04 3.95 3.96 3ii0C1 SER 85 HB3 -0.06 -0.03 -0.07 -0.04 3.93 3.73 3ii0C1 ARG 86 H -0.05 0.44 -0.50 -0.55 8.46 7.80 3ii0C1 ARG 86 HA -0.01 0.05 0.21 -0.75 4.34 3.83 3ii0C1 ARG 86 HB2 -0.04 0.24 0.06 -0.04 1.90 2.12 3ii0C1 ARG 86 HB3 -0.02 0.05 -0.00 -0.04 1.80 1.79 3ii0C1 ARG 86 HG2 -0.02 -0.16 -0.23 -0.04 1.67 1.22 3ii0C1 ARG 86 HG3 -0.03 0.07 -0.13 -0.04 1.67 1.54 3ii0C1 ARG 86 HD2 -0.06 -0.01 -0.08 -0.04 3.22 3.03 3ii0C1 ARG 86 HD3 -0.05 -0.02 -0.04 -0.04 3.22 3.08 3ii0C1 LEU 87 H 0.06 0.60 -0.18 -0.55 8.37 8.29 3ii0C1 LEU 87 HA 0.18 -0.03 0.37 -0.75 4.35 4.11 3ii0C1 LEU 87 HB2 0.24 0.03 0.06 -0.04 1.64 1.93 3ii0C1 LEU 87 HB3 0.22 0.17 0.11 -0.04 1.64 2.09 3ii0C1 LEU 87 HG 0.28 -0.02 -0.24 -0.04 1.64 1.63 3ii0C1 LEU 87 HD13 0.52 -0.02 -0.03 -0.04 0.93 1.36 3ii0C1 LEU 87 HD23 0.55 -0.02 -0.09 -0.04 0.89 1.29 3ii0C1 ALA 88 H 0.06 0.38 -0.34 -0.55 8.40 7.95 3ii0C1 ALA 88 HA 0.05 -0.00 0.45 -0.75 4.34 4.09 3ii0C1 ALA 88 HB3 0.01 -0.01 0.02 -0.04 1.41 1.39 3ii0C1 LEU 89 H 0.00 0.63 -0.01 -0.55 8.37 8.44 3ii0C1 LEU 89 HA -0.02 0.06 0.40 -0.75 4.35 4.05 3ii0C1 LEU 89 HB2 -0.02 0.09 -0.03 -0.04 1.64 1.65 3ii0C1 LEU 89 HB3 -0.02 -0.11 0.04 -0.04 1.64 1.52 3ii0C1 LEU 89 HG -0.03 0.11 0.01 -0.04 1.64 1.68 3ii0C1 LEU 89 HD13 -0.06 -0.02 -0.13 -0.04 0.93 0.67 3ii0C1 LEU 89 HD23 -0.02 -0.01 -0.20 -0.04 0.89 0.62 3ii0C1 GLY 90 H 0.02 0.45 -0.29 -0.55 8.43 8.07 3ii0C1 GLY 90 HA2 0.03 0.00 0.34 -0.51 4.01 3.87 3ii0C1 GLY 90 HA3 0.01 0.07 0.61 -0.51 4.01 4.19 3ii0C1 ASP 91 H -0.01 0.12 0.10 -0.55 8.40 8.06 3ii0C1 ASP 91 HA -0.03 0.08 0.32 -0.75 4.63 4.25 3ii0C1 ASP 91 HB2 -0.03 -0.04 0.08 -0.04 2.71 2.69 3ii0C1 ASP 91 HB3 -0.03 0.05 0.00 -0.04 2.70 2.68 3ii0C1 ASP 92 H -0.01 0.02 -0.31 -0.55 8.40 7.56 3ii0C1 ASP 92 HA -0.01 0.18 0.47 -0.75 4.63 4.51 3ii0C1 ASP 92 HB2 -0.00 0.04 0.10 -0.04 2.71 2.80 3ii0C1 ASP 92 HB3 -0.00 -0.03 -0.00 -0.04 2.70 2.62 3ii0C1 SER 93 H -0.01 0.43 -0.50 -0.55 8.46 7.82 3ii0C1 SER 93 HA -0.02 0.11 0.29 -0.75 4.49 4.12 3ii0C1 SER 93 HB2 -0.02 0.38 0.00 -0.04 3.95 4.28 3ii0C1 SER 93 HB3 -0.02 -0.02 0.02 -0.04 3.93 3.87 3ii0C1 PRO 94 HA -0.01 0.09 0.52 -0.51 4.44 4.52 3ii0C1 PRO 94 HB2 -0.01 0.08 -0.06 -0.04 2.28 2.25 3ii0C1 PRO 94 HB3 -0.01 0.05 0.10 -0.04 2.02 2.11 3ii0C1 PRO 94 HG2 -0.02 0.09 0.06 -0.04 2.03 2.11 3ii0C1 PRO 94 HG3 -0.02 0.06 0.10 -0.04 2.03 2.14 3ii0C1 PRO 94 HD2 -0.02 0.05 0.18 -0.04 3.68 3.85 3ii0C1 PRO 94 HD3 -0.02 0.16 0.21 -0.04 3.65 3.96 3ii0C1 ALA 95 H -0.01 0.15 -0.21 -0.55 8.40 7.78 3ii0C1 ALA 95 HA -0.01 0.17 0.41 -0.75 4.34 4.15 3ii0C1 ALA 95 HB3 -0.02 0.03 -0.04 -0.04 1.41 1.34 3ii0C1 LEU 96 H -0.02 0.13 -0.36 -0.55 8.37 7.57 3ii0C1 LEU 96 HA -0.03 0.01 0.39 -0.75 4.35 3.96 3ii0C1 LEU 96 HB2 -0.02 0.17 0.04 -0.04 1.64 1.78 3ii0C1 LEU 96 HB3 -0.03 0.01 -0.04 -0.04 1.64 1.53 3ii0C1 LEU 96 HG -0.03 -0.08 -0.10 -0.04 1.64 1.38 3ii0C1 LEU 96 HD13 -0.03 0.04 -0.13 -0.04 0.93 0.77 3ii0C1 LEU 96 HD23 -0.04 -0.02 -0.14 -0.04 0.89 0.65 3ii0C1 LYS 97 H -0.02 0.56 -0.08 -0.55 8.42 8.32 3ii0C1 LYS 97 HA -0.02 0.02 0.39 -0.75 4.32 3.96 3ii0C1 LYS 97 HB2 -0.01 0.02 0.12 -0.04 1.87 1.96 3ii0C1 LYS 97 HB3 -0.01 -0.02 0.00 -0.04 1.79 1.72 3ii0C1 LYS 97 HG2 -0.01 -0.04 0.01 -0.04 1.46 1.37 3ii0C1 LYS 97 HG3 -0.01 0.08 -0.07 -0.04 1.46 1.41 3ii0C1 GLU 98 H -0.01 0.51 -0.39 -0.55 8.60 8.16 3ii0C1 GLU 98 HA -0.01 0.08 0.55 -0.75 4.29 4.16 3ii0C1 GLU 98 HB2 -0.01 0.05 0.08 -0.04 2.09 2.17 3ii0C1 GLU 98 HB3 -0.01 -0.06 0.11 -0.04 1.99 2.00 3ii0C1 GLU 98 HG2 -0.01 -0.06 0.01 -0.04 2.34 2.25 3ii0C1 GLU 98 HG3 -0.01 -0.04 -0.02 -0.04 2.34 2.23 3ii0C1 LYS 99 H -0.02 0.42 -0.66 -0.55 8.42 7.61 3ii0C1 LYS 99 HA -0.02 0.01 0.33 -0.75 4.32 3.89 3ii0C1 LYS 99 HB2 -0.01 0.08 -0.08 -0.04 1.87 1.81 3ii0C1 LYS 99 HB3 -0.02 -0.11 0.22 -0.04 1.79 1.84 3ii0C1 LYS 99 HG2 -0.02 -0.04 0.06 -0.04 1.46 1.41 3ii0C1 LYS 99 HG3 -0.02 0.19 -0.08 -0.04 1.46 1.51 3ii0C1 LYS 99 HD2 -0.01 -0.01 -0.03 -0.04 1.69 1.60 3ii0C1 LYS 99 HD3 -0.02 -0.08 0.02 -0.04 1.68 1.56 3ii0C1 LYS 99 HE2 -0.02 -0.04 0.01 -0.04 2.99 2.90 3ii0C1 LYS 99 HE3 -0.01 0.14 0.01 -0.04 2.99 3.09 3ii0C1 ARG 100 H -0.02 0.55 -0.19 -0.55 8.46 8.25 3ii0C1 ARG 100 HA -0.02 0.10 0.59 -0.75 4.34 4.26 3ii0C1 ARG 100 HB2 -0.00 -0.17 -0.42 -0.04 1.90 1.27 3ii0C1 ARG 100 HB3 -0.01 0.07 -0.37 -0.04 1.80 1.46 3ii0C1 ARG 100 HG2 -0.01 0.09 -0.05 -0.04 1.67 1.65 3ii0C1 ARG 100 HG3 -0.02 -0.07 -0.05 -0.04 1.67 1.49 3ii0C1 ARG 100 HD2 0.01 0.16 -0.03 -0.04 3.22 3.32 3ii0C1 ARG 100 HD3 -0.00 0.01 -0.10 -0.04 3.22 3.09 3ii0C1 VAL 101 H -0.04 0.19 -0.33 -0.55 8.24 7.51 3ii0C1 VAL 101 HA -0.07 0.37 1.08 -0.75 4.13 4.76 3ii0C1 VAL 101 HB -0.05 -0.04 -0.07 -0.04 2.12 1.92 3ii0C1 VAL 101 HG13 -0.08 -0.00 -0.23 -0.04 0.97 0.62 3ii0C1 VAL 101 HG23 -0.06 0.01 -0.35 -0.04 0.95 0.50 3ii0C1 GLY 102 H -0.09 0.64 0.32 -0.55 8.43 8.76 3ii0C1 GLY 102 HA2 -0.06 0.15 0.76 -0.51 4.01 4.35 3ii0C1 GLY 102 HA3 -0.08 0.01 0.28 -0.51 4.01 3.71 3ii0C1 GLY 103 H -0.06 0.25 0.11 -0.55 8.43 8.19 3ii0C1 GLY 103 HA2 -0.07 0.33 0.90 -0.51 4.01 4.66 3ii0C1 GLY 103 HA3 -0.06 -0.02 0.25 -0.51 4.01 3.67 3ii0C1 VAL 104 H -0.02 0.60 0.23 -0.55 8.24 8.50 3ii0C1 VAL 104 HA 0.04 0.25 1.04 -0.75 4.13 4.71 3ii0C1 VAL 104 HB 0.01 -0.11 0.12 -0.04 2.12 2.10 3ii0C1 VAL 104 HG13 0.10 0.06 -0.10 -0.04 0.97 0.98 3ii0C1 VAL 104 HG23 -0.07 -0.00 -0.15 -0.04 0.95 0.69 3ii0C1 GLN 105 H 0.15 0.65 0.24 -0.55 8.47 8.96 3ii0C1 GLN 105 HA 0.35 0.03 0.67 -0.75 4.36 4.66 3ii0C1 GLN 105 HB2 0.29 -0.10 0.18 -0.04 2.15 2.48 3ii0C1 GLN 105 HB3 0.15 0.11 0.08 -0.04 2.02 2.32 3ii0C1 GLN 105 HG2 -0.02 0.08 -0.09 -0.04 2.40 2.33 3ii0C1 GLN 105 HG3 -0.01 -0.00 0.16 -0.04 2.39 2.50 3ii0C1 GLN 105 HE21 -0.22 0.14 0.01 -0.04 6.97 6.85 3ii0C1 GLN 105 HE22 -0.27 0.06 0.05 -0.04 7.69 7.48 3ii0C1 SER 106 H 0.18 0.54 0.23 -0.55 8.46 8.86 3ii0C1 SER 106 HA 0.26 0.27 0.78 -0.75 4.49 5.05 3ii0C1 SER 106 HB2 0.32 -0.09 -0.35 -0.04 3.95 3.78 3ii0C1 SER 106 HB3 0.27 0.12 -0.41 -0.04 3.93 3.86 3ii0C1 LEU 107 H -0.68 0.19 0.03 -0.55 8.37 7.36 3ii0C1 LEU 107 HA -0.34 0.37 0.68 -0.75 4.35 4.30 3ii0C1 LEU 107 HB2 -0.76 -0.02 0.19 -0.04 1.64 1.00 3ii0C1 LEU 107 HB3 -0.29 -0.03 0.12 -0.04 1.64 1.40 3ii0C1 LEU 107 HG -0.70 0.06 0.04 -0.04 1.64 0.99 3ii0C1 LEU 107 HD13 -0.32 0.05 0.08 -0.04 0.93 0.69 3ii0C1 LEU 107 HD23 -1.91 0.02 -0.07 -0.04 0.89 -1.11 3ii0C1 GLY 108 H -0.07 0.40 -0.45 -0.55 8.43 7.76 3ii0C1 GLY 108 HA2 0.02 0.04 -0.21 -0.51 4.01 3.34 3ii0C1 GLY 108 HA3 0.02 0.07 0.34 -0.51 4.01 3.92 3ii0C1 GLY 109 H -0.00 0.08 0.11 -0.55 8.43 8.07 3ii0C1 GLY 109 HA2 0.05 0.18 0.20 -0.51 4.01 3.94 3ii0C1 GLY 109 HA3 -0.02 0.02 0.13 -0.51 4.01 3.63 3ii0C1 THR 110 H 0.13 0.06 -0.16 -0.55 8.28 7.77 3ii0C1 THR 110 HA 0.33 0.06 0.33 -0.75 4.39 4.35 3ii0C1 THR 110 HB 0.19 0.10 0.07 -0.04 4.32 4.64 3ii0C1 THR 110 HG23 0.20 0.03 -0.12 -0.04 1.22 1.30 3ii0C1 GLY 111 H 0.12 0.53 -0.27 -0.55 8.43 8.27 3ii0C1 GLY 111 HA2 0.35 0.10 0.31 -0.51 4.01 4.26 3ii0C1 GLY 111 HA3 0.20 -0.03 0.24 -0.51 4.01 3.91 3ii0C1 ALA 112 H 0.18 0.32 -0.51 -0.55 8.40 7.84 3ii0C1 ALA 112 HA 0.23 0.06 0.21 -0.75 4.34 4.09 3ii0C1 ALA 112 HB3 0.17 -0.00 -0.10 -0.04 1.41 1.43 3ii0C1 LEU 113 H 0.20 0.51 -0.21 -0.55 8.37 8.32 3ii0C1 LEU 113 HA 0.19 0.02 0.40 -0.75 4.35 4.21 3ii0C1 LEU 113 HB2 0.18 0.15 0.14 -0.04 1.64 2.07 3ii0C1 LEU 113 HB3 0.02 0.01 -0.08 -0.04 1.64 1.54 3ii0C1 LEU 113 HG 0.15 -0.00 0.02 -0.04 1.64 1.77 3ii0C1 LEU 113 HD13 0.43 -0.04 -0.11 -0.04 0.93 1.17 3ii0C1 LEU 113 HD23 -0.20 0.00 -0.04 -0.04 0.89 0.60 3ii0C1 ARG 114 H 0.17 0.50 -0.17 -0.55 8.46 8.40 3ii0C1 ARG 114 HA -0.01 0.05 0.30 -0.75 4.34 3.93 3ii0C1 ARG 114 HB2 0.12 -0.03 0.06 -0.04 1.90 2.00 3ii0C1 ARG 114 HB3 0.19 0.03 0.12 -0.04 1.80 2.10 3ii0C1 ARG 114 HG2 0.10 -0.01 -0.06 -0.04 1.67 1.66 3ii0C1 ARG 114 HG3 0.05 0.02 -0.25 -0.04 1.67 1.45 3ii0C1 ARG 114 HD2 0.00 -0.05 0.05 -0.04 3.22 3.18 3ii0C1 ARG 114 HD3 0.03 -0.02 -0.01 -0.04 3.22 3.18 3ii0C1 ILE 115 H 0.18 0.56 -0.09 -0.55 8.25 8.36 3ii0C1 ILE 115 HA 0.04 0.07 0.36 -0.75 4.18 3.89 3ii0C1 ILE 115 HB 0.13 0.02 0.06 -0.04 1.89 2.06 3ii0C1 ILE 115 HG12 0.20 0.14 0.02 -0.04 1.49 1.81 3ii0C1 ILE 115 HG13 -0.03 -0.01 -0.07 -0.04 1.21 1.06 3ii0C1 ILE 115 HG23 -0.00 -0.01 -0.14 -0.04 0.93 0.74 3ii0C1 ILE 115 HD13 -0.41 -0.01 -0.13 -0.04 0.88 0.28 3ii0C1 GLY 116 H 0.25 0.50 -0.18 -0.55 8.43 8.44 3ii0C1 GLY 116 HA2 0.18 -0.01 0.39 -0.51 4.01 4.05 3ii0C1 GLY 116 HA3 0.46 0.04 0.28 -0.51 4.01 4.27 3ii0C1 ALA 117 H 0.24 0.59 -0.16 -0.55 8.40 8.52 3ii0C1 ALA 117 HA 0.42 0.01 0.40 -0.75 4.34 4.41 3ii0C1 ALA 117 HB3 -0.38 0.01 0.03 -0.04 1.41 1.03 3ii0C1 ASP 118 H 0.13 0.56 -0.14 -0.55 8.40 8.40 3ii0C1 ASP 118 HA 0.01 0.12 0.47 -0.75 4.63 4.47 3ii0C1 ASP 118 HB2 0.08 0.06 0.16 -0.04 2.71 2.97 3ii0C1 ASP 118 HB3 0.03 -0.05 -0.05 -0.04 2.70 2.59 3ii0C1 PHE 119 H 0.35 0.49 -0.20 -0.55 8.34 8.42 3ii0C1 PHE 119 HA 0.21 0.02 0.43 -0.75 4.62 4.53 3ii0C1 PHE 119 HB2 0.18 -0.02 0.06 -0.04 3.15 3.33 3ii0C1 PHE 119 HB3 0.31 0.14 0.16 -0.04 3.06 3.63 3ii0C1 PHE 119 HD2 0.34 0.03 -0.15 -0.04 7.28 7.46 3ii0C1 PHE 119 HE2 0.13 0.00 -0.06 -0.04 7.38 7.41 3ii0C1 PHE 119 HZ 0.12 -0.02 -0.06 -0.04 7.32 7.32 3ii0C1 LEU 120 H 0.45 0.56 -0.08 -0.55 8.37 8.75 3ii0C1 LEU 120 HA 0.16 -0.06 0.43 -0.75 4.35 4.13 3ii0C1 LEU 120 HB2 0.45 0.11 0.11 -0.04 1.64 2.28 3ii0C1 LEU 120 HB3 0.19 0.02 0.03 -0.04 1.64 1.84 3ii0C1 LEU 120 HG 0.35 0.16 0.08 -0.04 1.64 2.19 3ii0C1 LEU 120 HD13 -0.06 -0.02 -0.09 -0.04 0.93 0.72 3ii0C1 LEU 120 HD23 -0.73 -0.02 -0.04 -0.04 0.89 0.05 3ii0C1 ALA 121 H 0.11 0.47 -0.28 -0.55 8.40 8.16 3ii0C1 ALA 121 HA -0.25 0.12 0.24 -0.75 4.34 3.70 3ii0C1 ALA 121 HB3 -0.54 -0.00 0.02 -0.04 1.41 0.85 3ii0C1 ARG 122 H -0.27 0.26 -0.56 -0.55 8.46 7.33 3ii0C1 ARG 122 HA -0.54 0.08 0.98 -0.75 4.34 4.11 3ii0C1 ARG 122 HB2 -0.80 0.12 0.19 -0.04 1.90 1.37 3ii0C1 ARG 122 HB3 -1.80 -0.11 0.02 -0.04 1.80 -0.13 3ii0C1 ARG 122 HG2 -0.48 -0.07 0.02 -0.04 1.67 1.11 3ii0C1 ARG 122 HG3 -0.32 0.10 -0.07 -0.04 1.67 1.33 3ii0C1 ARG 122 HD2 -0.13 0.06 -0.05 -0.04 3.22 3.05 3ii0C1 ARG 122 HD3 -0.25 -0.09 -0.01 -0.04 3.22 2.83 3ii0C1 TRP 123 H -0.30 0.42 0.15 -0.55 7.97 7.70 3ii0C1 TRP 123 HA -0.17 0.17 0.90 -0.75 4.62 4.77 3ii0C1 TRP 123 HB2 -1.05 0.04 0.02 -0.04 3.23 2.20 3ii0C1 TRP 123 HB3 -0.27 -0.09 0.09 -0.04 3.23 2.92 3ii0C1 TRP 123 HD1 -0.92 0.01 0.03 -0.04 7.22 6.30 3ii0C1 TRP 123 HE1 -0.05 -0.02 -0.02 -0.04 10.20 10.08 3ii0C1 TRP 123 HE3 -0.10 0.04 0.04 -0.04 7.59 7.53 3ii0C1 TRP 123 HZ2 -0.03 -0.02 -0.01 -0.04 7.44 7.33 3ii0C1 TRP 123 HZ3 -0.05 -0.03 0.00 -0.04 7.13 7.01 3ii0C1 TRP 123 HH2 -0.04 -0.03 -0.01 -0.04 7.19 7.08 3ii0C1 TYR 124 H 0.06 0.44 0.15 -0.55 8.29 8.39 3ii0C1 TYR 124 HA 0.01 0.03 0.86 -0.75 4.56 4.70 3ii0C1 TYR 124 HB2 -0.04 -0.10 0.03 -0.04 3.06 2.91 3ii0C1 TYR 124 HB3 -0.01 0.15 0.22 -0.04 2.98 3.29 3ii0C1 TYR 124 HD2 -0.01 -0.01 -0.04 -0.04 7.15 7.05 3ii0C1 TYR 124 HE2 0.14 0.09 0.01 -0.04 6.85 7.05 3ii0C1 ASN 125 H -0.58 0.08 0.18 -0.55 8.53 7.66 3ii0C1 ASN 125 HA -0.55 -0.03 0.33 -0.75 4.76 3.76 3ii0C1 ASN 125 HB2 -1.05 0.01 -0.13 -0.04 2.88 1.67 3ii0C1 ASN 125 HB3 -0.23 0.18 0.04 -0.04 2.79 2.74 3ii0C1 ASN 125 HD21 0.08 0.01 -0.01 -0.04 7.03 7.07 3ii0C1 ASN 125 HD22 0.05 -0.02 -0.00 -0.04 7.74 7.73 3ii0C1 GLY 126 H -0.15 0.06 -0.17 -0.55 8.43 7.62 3ii0C1 GLY 126 HA2 -0.07 -0.06 0.22 -0.51 4.01 3.59 3ii0C1 GLY 126 HA3 -0.09 0.21 0.77 -0.51 4.01 4.39 3ii0C1 THR 127 H -0.06 0.16 0.06 -0.55 8.28 7.89 3ii0C1 THR 127 HA -0.12 0.36 0.91 -0.75 4.39 4.78 3ii0C1 THR 127 HB -0.04 -0.06 0.12 -0.04 4.32 4.30 3ii0C1 THR 127 HG23 -0.16 0.01 -0.03 -0.04 1.22 1.00 3ii0C1 ASN 128 H -0.35 0.66 0.15 -0.55 8.53 8.44 3ii0C1 ASN 128 HA -0.28 0.35 0.46 -0.75 4.76 4.54 3ii0C1 ASN 128 HB2 -0.16 0.05 -0.07 -0.04 2.88 2.66 3ii0C1 ASN 128 HB3 -0.17 -0.04 0.24 -0.04 2.79 2.77 3ii0C1 ASN 128 HD21 -0.25 -0.04 0.00 -0.04 7.03 6.71 3ii0C1 ASN 128 HD22 -0.17 -0.03 -0.05 -0.04 7.74 7.46 3ii0C1 ASN 129 H -0.12 0.23 -0.43 -0.55 8.53 7.66 3ii0C1 ASN 129 HA -0.06 0.07 0.71 -0.75 4.76 4.73 3ii0C1 ASN 129 HB2 -0.06 -0.00 -0.19 -0.04 2.88 2.59 3ii0C1 ASN 129 HB3 -0.01 0.19 0.02 -0.04 2.79 2.95 3ii0C1 ASN 129 HD21 0.02 -0.10 -0.01 -0.04 7.03 6.89 3ii0C1 ASN 129 HD22 -0.05 0.68 0.17 -0.04 7.74 8.49 3ii0C1 LYS 130 H -0.06 0.24 0.11 -0.55 8.42 8.15 3ii0C1 LYS 130 HA -0.24 0.18 0.49 -0.75 4.32 3.99 3ii0C1 LYS 130 HB2 -0.06 -0.07 0.07 -0.04 1.87 1.77 3ii0C1 LYS 130 HB3 -0.12 0.26 0.09 -0.04 1.79 1.97 3ii0C1 LYS 130 HG2 -0.14 0.06 -0.06 -0.04 1.46 1.28 3ii0C1 LYS 130 HG3 -0.13 -0.02 0.02 -0.04 1.46 1.29 3ii0C1 LYS 130 HD2 -0.37 -0.04 -0.16 -0.04 1.69 1.08 3ii0C1 LYS 130 HD3 -0.33 0.09 -0.26 -0.04 1.68 1.14 3ii0C1 LYS 130 HE2 -0.17 -0.08 0.01 -0.04 2.99 2.70 3ii0C1 LYS 130 HE3 -0.24 0.14 0.03 -0.04 2.99 2.88 3ii0C1 ASN 131 H 0.05 0.06 -0.32 -0.55 8.53 7.77 3ii0C1 ASN 131 HA 0.10 0.08 0.53 -0.75 4.76 4.72 3ii0C1 ASN 131 HB2 0.05 0.03 0.02 -0.04 2.88 2.93 3ii0C1 ASN 131 HB3 0.06 0.02 0.07 -0.04 2.79 2.89 3ii0C1 ASN 131 HD21 0.01 -0.00 -0.00 -0.04 7.03 6.99 3ii0C1 ASN 131 HD22 0.02 0.02 0.01 -0.04 7.74 7.74 3ii0C1 THR 132 H 0.21 0.15 -0.29 -0.55 8.28 7.80 3ii0C1 THR 132 HA 0.17 0.07 0.40 -0.75 4.39 4.28 3ii0C1 THR 132 HB 0.39 -0.05 -0.02 -0.04 4.32 4.60 3ii0C1 THR 132 HG23 0.32 0.03 -0.14 -0.04 1.22 1.38 3ii0C1 PRO 133 HA 0.03 0.27 0.50 -0.51 4.44 4.74 3ii0C1 PRO 133 HB2 0.26 -0.05 0.02 -0.04 2.28 2.48 3ii0C1 PRO 133 HB3 -0.01 -0.02 0.04 -0.04 2.02 1.99 3ii0C1 PRO 133 HG2 0.17 0.02 0.11 -0.04 2.03 2.28 3ii0C1 PRO 133 HG3 0.09 0.04 0.12 -0.04 2.03 2.23 3ii0C1 PRO 133 HD2 0.19 0.08 0.15 -0.04 3.68 4.06 3ii0C1 PRO 133 HD3 0.14 0.16 0.27 -0.04 3.65 4.18 3ii0C1 VAL 134 H -0.10 0.54 0.37 -0.55 8.24 8.51 3ii0C1 VAL 134 HA -0.09 0.23 0.96 -0.75 4.13 4.47 3ii0C1 VAL 134 HB -0.22 -0.07 0.11 -0.04 2.12 1.90 3ii0C1 VAL 134 HG13 -0.74 -0.04 -0.17 -0.04 0.97 -0.03 3ii0C1 VAL 134 HG23 -0.60 0.06 -0.12 -0.04 0.95 0.24 3ii0C1 TYR 135 H 0.17 0.77 0.26 -0.55 8.29 8.94 3ii0C1 TYR 135 HA 0.01 0.23 0.82 -0.75 4.56 4.87 3ii0C1 TYR 135 HB2 0.12 0.09 0.12 -0.04 3.06 3.35 3ii0C1 TYR 135 HB3 0.37 -0.08 -0.19 -0.04 2.98 3.03 3ii0C1 TYR 135 HD2 0.14 0.02 -0.40 -0.04 7.15 6.86 3ii0C1 TYR 135 HE2 0.09 0.04 -0.11 -0.04 6.85 6.83 3ii0C1 VAL 136 H -0.05 0.75 0.41 -0.55 8.24 8.81 3ii0C1 VAL 136 HA -0.06 0.18 0.93 -0.75 4.13 4.43 3ii0C1 VAL 136 HB -0.01 -0.10 0.09 -0.04 2.12 2.06 3ii0C1 VAL 136 HG13 -0.18 -0.02 -0.22 -0.04 0.97 0.51 3ii0C1 VAL 136 HG23 -0.08 0.06 -0.11 -0.04 0.95 0.79 3ii0C1 SER 137 H -0.24 0.08 0.16 -0.55 8.46 7.91 3ii0C1 SER 137 HA -1.55 0.16 0.46 -0.75 4.49 2.81 3ii0C1 SER 137 HB2 -0.63 0.00 0.00 -0.04 3.95 3.28 3ii0C1 SER 137 HB3 -0.50 -0.02 0.11 -0.04 3.93 3.48 3ii0C1 SER 138 H -0.27 0.45 0.18 -0.55 8.46 8.27 3ii0C1 SER 138 HA -0.06 0.08 0.81 -0.75 4.49 4.57 3ii0C1 SER 138 HB2 -0.04 0.04 -0.07 -0.04 3.95 3.83 3ii0C1 SER 138 HB3 0.01 -0.11 0.18 -0.04 3.93 3.97 3ii0C1 PRO 139 HA -0.04 0.14 0.35 -0.51 4.44 4.38 3ii0C1 PRO 139 HB2 -0.08 0.04 0.10 -0.04 2.28 2.30 3ii0C1 PRO 139 HB3 0.00 0.05 0.10 -0.04 2.02 2.13 3ii0C1 PRO 139 HG2 -0.42 -0.04 -0.06 -0.04 2.03 1.47 3ii0C1 PRO 139 HG3 -0.23 0.08 0.02 -0.04 2.03 1.86 3ii0C1 PRO 139 HD2 -0.04 0.00 0.27 -0.04 3.68 3.88 3ii0C1 PRO 139 HD3 0.09 0.12 0.22 -0.04 3.65 4.05 3ii0C1 THR 140 H -0.05 0.22 0.17 -0.55 8.28 8.08 3ii0C1 THR 140 HA -0.11 0.21 0.61 -0.75 4.39 4.34 3ii0C1 THR 140 HB 0.04 0.24 -0.07 -0.04 4.32 4.49 3ii0C1 THR 140 HG23 0.06 0.04 -0.13 -0.04 1.22 1.15 3ii0C1 TRP 141 H 0.13 0.16 0.21 -0.55 7.97 7.93 3ii0C1 TRP 141 HA -0.21 0.03 0.53 -0.75 4.62 4.22 3ii0C1 TRP 141 HB2 -0.29 0.10 0.18 -0.04 3.23 3.17 3ii0C1 TRP 141 HB3 -0.80 -0.03 0.15 -0.04 3.23 2.50 3ii0C1 TRP 141 HD1 -0.16 0.05 0.07 -0.04 7.22 7.13 3ii0C1 TRP 141 HE1 -0.10 0.04 0.01 -0.04 10.20 10.11 3ii0C1 TRP 141 HE3 -0.58 0.04 -0.09 -0.04 7.59 6.92 3ii0C1 TRP 141 HZ2 -0.01 0.05 -0.01 -0.04 7.44 7.43 3ii0C1 TRP 141 HZ3 0.07 0.10 -0.14 -0.04 7.13 7.12 3ii0C1 TRP 141 HH2 0.04 -0.00 -0.05 -0.04 7.19 7.14 3ii0C1 GLU 142 H -0.24 0.14 0.21 -0.55 8.60 8.16 3ii0C1 GLU 142 HA -0.20 0.15 0.34 -0.75 4.29 3.83 3ii0C1 GLU 142 HB2 -0.22 -0.01 0.13 -0.04 2.09 1.95 3ii0C1 GLU 142 HB3 -0.18 0.06 0.17 -0.04 1.99 2.00 3ii0C1 GLU 142 HG2 -0.37 -0.06 0.11 -0.04 2.34 1.98 3ii0C1 GLU 142 HG3 -0.60 0.11 -0.03 -0.04 2.34 1.77 3ii0C1 ASN 143 H -1.72 0.02 -0.36 -0.55 8.53 5.92 3ii0C1 ASN 143 HA -0.49 0.17 0.57 -0.75 4.76 4.25 3ii0C1 ASN 143 HB2 -1.78 -0.03 0.06 -0.04 2.88 1.10 3ii0C1 ASN 143 HB3 -2.41 -0.00 -0.01 -0.04 2.79 0.32 3ii0C1 ASN 143 HD21 -0.03 0.08 -0.01 -0.04 7.03 7.02 3ii0C1 ASN 143 HD22 -0.14 -0.08 -0.01 -0.04 7.74 7.47 3ii0C1 HIS 144 H -0.25 0.43 -0.24 -0.55 8.41 7.81 3ii0C1 HIS 144 HA 0.16 0.06 0.40 -0.75 4.63 4.50 3ii0C1 HIS 144 HB2 0.03 0.11 0.13 -0.04 3.26 3.49 3ii0C1 HIS 144 HB3 0.01 0.09 -0.05 -0.04 3.20 3.21 3ii0C1 HIS 144 HD2 0.39 0.01 -0.09 -0.04 6.97 7.24 3ii0C1 HIS 144 HE1 -0.61 -0.02 0.00 -0.04 7.75 7.08 3ii0C1 ASN 145 H 0.04 0.17 -0.08 -0.55 8.53 8.11 3ii0C1 ASN 145 HA 0.07 0.11 0.36 -0.75 4.76 4.55 3ii0C1 ASN 145 HB2 -0.00 0.01 0.03 -0.04 2.88 2.88 3ii0C1 ASN 145 HB3 -0.02 0.01 0.02 -0.04 2.79 2.75 3ii0C1 ASN 145 HD21 0.00 0.07 -0.06 -0.04 7.03 7.01 3ii0C1 ASN 145 HD22 -0.01 -0.01 -0.07 -0.04 7.74 7.60 3ii0C1 ALA 146 H -0.05 0.10 -0.40 -0.55 8.40 7.50 3ii0C1 ALA 146 HA 0.01 0.11 0.25 -0.75 4.34 3.96 3ii0C1 ALA 146 HB3 -0.08 0.01 0.07 -0.04 1.41 1.37 3ii0C1 VAL 147 H 0.04 0.50 -0.14 -0.55 8.24 8.08 3ii0C1 VAL 147 HA 0.02 0.04 0.38 -0.75 4.13 3.81 3ii0C1 VAL 147 HB 0.11 0.10 0.14 -0.04 2.12 2.42 3ii0C1 VAL 147 HG13 -0.11 -0.02 -0.26 -0.04 0.97 0.54 3ii0C1 VAL 147 HG23 0.04 -0.01 0.04 -0.04 0.95 0.98 3ii0C1 PHE 148 H 0.33 0.42 -0.11 -0.55 8.34 8.42 3ii0C1 PHE 148 HA 0.24 0.04 0.46 -0.75 4.62 4.60 3ii0C1 PHE 148 HB2 0.03 0.06 0.07 -0.04 3.15 3.26 3ii0C1 PHE 148 HB3 0.06 0.04 -0.02 -0.04 3.06 3.10 3ii0C1 PHE 148 HD2 -0.18 0.16 0.02 -0.04 7.28 7.23 3ii0C1 PHE 148 HE2 -0.12 -0.03 -0.06 -0.04 7.38 7.13 3ii0C1 PHE 148 HZ -0.77 -0.03 -0.07 -0.04 7.32 6.41 3ii0C1 SER 149 H 0.17 0.58 -0.13 -0.55 8.46 8.54 3ii0C1 SER 149 HA 0.15 0.24 0.45 -0.75 4.49 4.58 3ii0C1 SER 149 HB2 0.06 0.01 0.06 -0.04 3.95 4.04 3ii0C1 SER 149 HB3 0.05 -0.02 0.00 -0.04 3.93 3.93 3ii0C1 ALA 150 H 0.07 0.41 -0.25 -0.55 8.40 8.08 3ii0C1 ALA 150 HA 0.02 0.00 0.35 -0.75 4.34 3.96 3ii0C1 ALA 150 HB3 0.02 -0.00 0.11 -0.04 1.41 1.51 3ii0C1 ALA 151 H 0.06 0.37 -0.23 -0.55 8.40 8.06 3ii0C1 ALA 151 HA -0.03 0.01 0.45 -0.75 4.34 4.01 3ii0C1 ALA 151 HB3 0.08 0.01 -0.08 -0.04 1.41 1.38 3ii0C1 GLY 152 H 0.02 0.34 -0.44 -0.55 8.43 7.80 3ii0C1 GLY 152 HA2 -0.06 0.02 0.19 -0.51 4.01 3.66 3ii0C1 GLY 152 HA3 -0.17 0.10 0.66 -0.51 4.01 4.09 3ii0C1 PHE 153 H 0.09 0.25 0.01 -0.55 8.34 8.14 3ii0C1 PHE 153 HA 0.05 0.25 0.52 -0.75 4.62 4.69 3ii0C1 PHE 153 HB2 0.15 -0.03 -0.08 -0.04 3.15 3.15 3ii0C1 PHE 153 HB3 0.10 -0.04 -0.12 -0.04 3.06 2.96 3ii0C1 PHE 153 HD2 0.17 0.09 -0.04 -0.04 7.28 7.45 3ii0C1 PHE 153 HE2 0.16 0.03 -0.05 -0.04 7.38 7.48 3ii0C1 PHE 153 HZ 0.16 -0.10 -0.22 -0.04 7.32 7.11 3ii0C1 LYS 154 H 0.15 0.57 0.29 -0.55 8.42 8.87 3ii0C1 LYS 154 HA 0.07 0.12 0.59 -0.75 4.32 4.35 3ii0C1 LYS 154 HB2 0.06 0.03 0.03 -0.04 1.87 1.95 3ii0C1 LYS 154 HB3 0.04 -0.08 0.06 -0.04 1.79 1.77 3ii0C1 LYS 154 HG2 0.01 0.24 0.03 -0.04 1.46 1.70 3ii0C1 LYS 154 HG3 0.01 -0.09 -0.00 -0.04 1.46 1.34 3ii0C1 LYS 154 HD2 0.02 -0.08 0.03 -0.04 1.69 1.63 3ii0C1 LYS 154 HD3 0.02 0.10 -0.13 -0.04 1.68 1.63 3ii0C1 LYS 154 HE2 -0.01 0.06 -0.00 -0.04 2.99 2.99 3ii0C1 LYS 154 HE3 -0.00 -0.06 0.00 -0.04 2.99 2.89 3ii0C1 ASP 155 H 0.14 0.20 -0.20 -0.55 8.40 7.99 3ii0C1 ASP 155 HA 0.02 0.15 0.83 -0.75 4.63 4.88 3ii0C1 ASP 155 HB2 0.05 -0.02 -0.16 -0.04 2.71 2.55 3ii0C1 ASP 155 HB3 0.06 0.09 0.01 -0.04 2.70 2.82 3ii0C1 ILE 156 H -0.00 0.22 0.02 -0.55 8.25 7.94 3ii0C1 ILE 156 HA -0.10 0.23 0.90 -0.75 4.18 4.45 3ii0C1 ILE 156 HB -0.01 -0.03 0.06 -0.04 1.89 1.86 3ii0C1 ILE 156 HG12 0.04 0.04 -0.22 -0.04 1.49 1.31 3ii0C1 ILE 156 HG13 0.08 0.01 -0.36 -0.04 1.21 0.90 3ii0C1 ILE 156 HG23 -0.06 -0.02 -0.07 -0.04 0.93 0.74 3ii0C1 ILE 156 HD13 0.12 -0.01 -0.12 -0.04 0.88 0.84 3ii0C1 ARG 157 H -0.25 0.89 0.44 -0.55 8.46 9.00 3ii0C1 ARG 157 HA -0.15 0.12 0.86 -0.75 4.34 4.42 3ii0C1 ARG 157 HB2 -1.14 0.01 -0.11 -0.04 1.90 0.62 3ii0C1 ARG 157 HB3 -0.38 -0.00 0.05 -0.04 1.80 1.42 3ii0C1 ARG 157 HG2 -0.17 0.01 -0.16 -0.04 1.67 1.30 3ii0C1 ARG 157 HG3 -0.25 -0.04 -0.61 -0.04 1.67 0.73 3ii0C1 ARG 157 HD2 -0.57 0.01 -0.13 -0.04 3.22 2.49 3ii0C1 ARG 157 HD3 -0.23 0.01 -0.08 -0.04 3.22 2.88 3ii0C1 SER 158 H -0.06 0.17 0.16 -0.55 8.46 8.18 3ii0C1 SER 158 HA -0.08 0.34 0.97 -0.75 4.49 4.97 3ii0C1 SER 158 HB2 0.02 -0.05 -0.05 -0.04 3.95 3.84 3ii0C1 SER 158 HB3 -0.05 0.01 -0.16 -0.04 3.93 3.69 3ii0C1 TYR 159 H -0.26 0.55 0.15 -0.55 8.29 8.17 3ii0C1 TYR 159 HA 0.16 0.21 0.94 -0.75 4.56 5.12 3ii0C1 TYR 159 HB2 0.10 0.05 0.03 -0.04 3.06 3.21 3ii0C1 TYR 159 HB3 0.17 0.06 -0.05 -0.04 2.98 3.13 3ii0C1 TYR 159 HD2 -0.31 0.13 -0.29 -0.04 7.15 6.64 3ii0C1 TYR 159 HE2 -0.40 0.05 -0.17 -0.04 6.85 6.29 3ii0C1 ARG 160 H 0.19 0.18 0.00 -0.55 8.46 8.28 3ii0C1 ARG 160 HA 0.07 0.05 0.46 -0.75 4.34 4.17 3ii0C1 ARG 160 HB2 0.12 -0.02 -0.17 -0.04 1.90 1.79 3ii0C1 ARG 160 HB3 0.07 -0.04 -0.08 -0.04 1.80 1.72 3ii0C1 ARG 160 HG2 0.06 0.02 0.02 -0.04 1.67 1.73 3ii0C1 ARG 160 HG3 0.08 0.05 0.00 -0.04 1.67 1.77 3ii0C1 ARG 160 HD2 0.05 -0.11 0.00 -0.04 3.22 3.11 3ii0C1 ARG 160 HD3 0.05 0.04 0.00 -0.04 3.22 3.26 3ii0C1 TYR 161 H 0.11 0.18 0.18 -0.55 8.29 8.21 3ii0C1 TYR 161 HA -0.08 0.07 0.76 -0.75 4.56 4.55 3ii0C1 TYR 161 HB2 -0.25 0.08 -0.29 -0.04 3.06 2.56 3ii0C1 TYR 161 HB3 -0.14 0.17 0.03 -0.04 2.98 3.00 3ii0C1 TYR 161 HD2 -0.43 0.06 -0.11 -0.04 7.15 6.64 3ii0C1 TYR 161 HE2 -0.47 -0.02 -0.04 -0.04 6.85 6.28 3ii0C1 TRP 162 H 0.31 0.60 0.35 -0.55 7.97 8.68 3ii0C1 TRP 162 HA -0.13 0.17 0.72 -0.75 4.62 4.63 3ii0C1 TRP 162 HB2 -0.05 -0.01 0.15 -0.04 3.23 3.28 3ii0C1 TRP 162 HB3 0.01 0.04 0.24 -0.04 3.23 3.47 3ii0C1 TRP 162 HD1 0.14 -0.04 -0.12 -0.04 7.22 7.16 3ii0C1 TRP 162 HE1 0.17 0.06 -0.07 -0.04 10.20 10.32 3ii0C1 TRP 162 HE3 -0.10 -0.07 -0.14 -0.04 7.59 7.24 3ii0C1 TRP 162 HZ2 0.14 0.09 -0.06 -0.04 7.44 7.56 3ii0C1 TRP 162 HZ3 0.02 0.01 -0.23 -0.04 7.13 6.89 3ii0C1 TRP 162 HH2 0.14 0.16 -0.06 -0.04 7.19 7.38 3ii0C1 ASP 163 H -0.62 0.82 0.30 -0.55 8.40 8.35 3ii0C1 ASP 163 HA -0.25 0.11 0.82 -0.75 4.63 4.56 3ii0C1 ASP 163 HB2 -0.25 0.01 -0.08 -0.04 2.71 2.35 3ii0C1 ASP 163 HB3 -0.44 -0.00 0.06 -0.04 2.70 2.28 3ii0C1 ALA 164 H -0.22 0.26 0.05 -0.55 8.40 7.95 3ii0C1 ALA 164 HA -0.33 0.12 0.31 -0.75 4.34 3.68 3ii0C1 ALA 164 HB3 0.12 0.04 0.05 -0.04 1.41 1.57 3ii0C1 GLU 165 H -0.21 -0.03 -0.24 -0.55 8.60 7.58 3ii0C1 GLU 165 HA -0.13 0.21 0.53 -0.75 4.29 4.14 3ii0C1 GLU 165 HB2 -0.10 -0.02 0.07 -0.04 2.09 1.99 3ii0C1 GLU 165 HB3 -0.13 -0.06 0.02 -0.04 1.99 1.78 3ii0C1 GLU 165 HG2 -0.11 0.04 -0.09 -0.04 2.34 2.14 3ii0C1 GLU 165 HG3 -0.09 0.05 0.05 -0.04 2.34 2.31 3ii0C1 LYS 166 H -0.27 -0.02 -0.13 -0.55 8.42 7.44 3ii0C1 LYS 166 HA -0.18 0.27 0.86 -0.75 4.32 4.51 3ii0C1 LYS 166 HB2 -0.16 0.04 0.07 -0.04 1.87 1.78 3ii0C1 LYS 166 HB3 -0.15 -0.01 -0.01 -0.04 1.79 1.58 3ii0C1 LYS 166 HG2 -0.28 -0.07 -0.03 -0.04 1.46 1.04 3ii0C1 LYS 166 HG3 -0.23 -0.01 -0.16 -0.04 1.46 1.02 3ii0C1 ARG 167 H -0.52 0.12 -0.38 -0.55 8.46 7.14 3ii0C1 ARG 167 HA -1.46 0.01 0.28 -0.75 4.34 2.42 3ii0C1 ARG 167 HB2 -0.13 0.06 0.18 -0.04 1.90 1.97 3ii0C1 ARG 167 HB3 0.18 -0.01 0.12 -0.04 1.80 2.05 3ii0C1 ARG 167 HG2 -0.09 0.09 -0.05 -0.04 1.67 1.58 3ii0C1 ARG 167 HG3 -0.22 0.02 -0.40 -0.04 1.67 1.02 3ii0C1 ARG 167 HD2 -0.47 -0.08 -0.03 -0.04 3.22 2.61 3ii0C1 ARG 167 HD3 -0.25 0.04 -0.05 -0.04 3.22 2.92 3ii0C1 GLY 168 H -0.83 0.23 0.02 -0.55 8.43 7.30 3ii0C1 GLY 168 HA2 -0.17 0.16 0.54 -0.51 4.01 4.03 3ii0C1 GLY 168 HA3 -0.24 0.04 0.20 -0.51 4.01 3.50 3ii0C1 LEU 169 H -0.19 0.14 0.10 -0.55 8.37 7.88 3ii0C1 LEU 169 HA -0.39 0.30 0.50 -0.75 4.35 4.01 3ii0C1 LEU 169 HB2 -0.29 0.04 -0.04 -0.04 1.64 1.30 3ii0C1 LEU 169 HB3 -0.19 -0.05 0.12 -0.04 1.64 1.47 3ii0C1 LEU 169 HG -0.17 -0.11 -0.38 -0.04 1.64 0.94 3ii0C1 LEU 169 HD13 -0.72 0.07 -0.06 -0.04 0.93 0.17 3ii0C1 LEU 169 HD23 -0.18 -0.00 -0.07 -0.04 0.89 0.60 3ii0C1 ASP 170 H -0.22 0.91 0.19 -0.55 8.40 8.73 3ii0C1 ASP 170 HA -0.12 0.11 0.79 -0.75 4.63 4.66 3ii0C1 ASP 170 HB2 -0.12 0.03 -0.11 -0.04 2.71 2.47 3ii0C1 ASP 170 HB3 -0.05 0.02 -0.10 -0.04 2.70 2.53 3ii0C1 LEU 171 H -0.08 0.36 -0.08 -0.55 8.37 8.02 3ii0C1 LEU 171 HA 0.04 0.10 0.28 -0.75 4.35 4.01 3ii0C1 LEU 171 HB2 -0.09 0.03 0.05 -0.04 1.64 1.59 3ii0C1 LEU 171 HB3 -0.07 0.01 0.09 -0.04 1.64 1.63 3ii0C1 LEU 171 HG -0.09 0.02 -0.14 -0.04 1.64 1.38 3ii0C1 LEU 171 HD13 -0.16 0.00 0.01 -0.04 0.93 0.75 3ii0C1 LEU 171 HD23 -0.09 0.01 -0.01 -0.04 0.89 0.76 3ii0C1 GLN 172 H -0.03 0.11 -0.09 -0.55 8.47 7.91 3ii0C1 GLN 172 HA -0.02 0.11 0.33 -0.75 4.36 4.03 3ii0C1 GLN 172 HB2 -0.02 -0.06 0.05 -0.04 2.15 2.08 3ii0C1 GLN 172 HB3 -0.01 0.09 -0.07 -0.04 2.02 1.98 3ii0C1 GLN 172 HG2 -0.04 -0.03 0.03 -0.04 2.40 2.32 3ii0C1 GLN 172 HG3 -0.03 0.07 -0.00 -0.04 2.39 2.39 3ii0C1 GLN 172 HE21 -0.05 0.05 -0.07 -0.04 6.97 6.87 3ii0C1 GLN 172 HE22 -0.05 -0.05 -0.04 -0.04 7.69 7.52 3ii0C1 GLY 173 H 0.02 0.03 -0.29 -0.55 8.43 7.64 3ii0C1 GLY 173 HA2 0.06 0.09 0.44 -0.51 4.01 4.08 3ii0C1 GLY 173 HA3 0.06 0.02 0.21 -0.51 4.01 3.80 3ii0C1 PHE 174 H 0.19 0.48 -0.19 -0.55 8.34 8.27 3ii0C1 PHE 174 HA 0.11 0.04 0.42 -0.75 4.62 4.44 3ii0C1 PHE 174 HB2 0.04 0.12 0.10 -0.04 3.15 3.37 3ii0C1 PHE 174 HB3 -0.05 -0.00 0.18 -0.04 3.06 3.15 3ii0C1 PHE 174 HD2 -0.11 -0.07 -0.01 -0.04 7.28 7.04 3ii0C1 PHE 174 HE2 -0.50 -0.01 -0.08 -0.04 7.38 6.74 3ii0C1 PHE 174 HZ -0.31 -0.01 -0.09 -0.04 7.32 6.87 3ii0C1 LEU 175 H 0.02 0.72 -0.02 -0.55 8.37 8.54 3ii0C1 LEU 175 HA -0.17 0.02 0.27 -0.75 4.35 3.72 3ii0C1 LEU 175 HB2 -0.05 0.03 0.10 -0.04 1.64 1.68 3ii0C1 LEU 175 HB3 -0.08 0.01 -0.00 -0.04 1.64 1.53 3ii0C1 LEU 175 HG -0.17 0.09 0.04 -0.04 1.64 1.56 3ii0C1 LEU 175 HD13 -0.09 -0.03 -0.08 -0.04 0.93 0.69 3ii0C1 LEU 175 HD23 -0.26 -0.01 -0.17 -0.04 0.89 0.41 3ii0C1 ASN 176 H 0.04 0.51 -0.24 -0.55 8.53 8.29 3ii0C1 ASN 176 HA 0.01 0.03 0.46 -0.75 4.76 4.51 3ii0C1 ASN 176 HB2 0.02 0.06 0.13 -0.04 2.88 3.05 3ii0C1 ASN 176 HB3 0.05 0.03 0.14 -0.04 2.79 2.97 3ii0C1 ASN 176 HD21 0.02 -0.00 -0.02 -0.04 7.03 6.99 3ii0C1 ASN 176 HD22 0.01 -0.03 -0.00 -0.04 7.74 7.68 3ii0C1 ASP 177 H 0.11 0.55 -0.08 -0.55 8.40 8.44 3ii0C1 ASP 177 HA 0.10 0.05 0.44 -0.75 4.63 4.46 3ii0C1 ASP 177 HB2 0.23 0.06 0.22 -0.04 2.71 3.17 3ii0C1 ASP 177 HB3 0.23 0.05 0.09 -0.04 2.70 3.03 3ii0C1 LEU 178 H 0.02 0.40 -0.16 -0.55 8.37 8.08 3ii0C1 LEU 178 HA -0.20 0.05 0.40 -0.75 4.35 3.85 3ii0C1 LEU 178 HB2 -0.09 0.07 0.09 -0.04 1.64 1.66 3ii0C1 LEU 178 HB3 -0.09 0.00 -0.12 -0.04 1.64 1.39 3ii0C1 LEU 178 HG 0.00 0.13 -0.02 -0.04 1.64 1.71 3ii0C1 LEU 178 HD13 -0.36 -0.03 -0.10 -0.04 0.93 0.40 3ii0C1 LEU 178 HD23 -0.16 -0.01 -0.13 -0.04 0.89 0.55 3ii0C1 GLU 179 H -0.02 0.56 -0.05 -0.55 8.60 8.54 3ii0C1 GLU 179 HA 0.04 0.03 0.40 -0.75 4.29 4.00 3ii0C1 GLU 179 HB2 0.00 -0.02 0.13 -0.04 2.09 2.16 3ii0C1 GLU 179 HB3 0.01 0.07 0.16 -0.04 1.99 2.20 3ii0C1 GLU 179 HG2 0.02 -0.10 -0.01 -0.04 2.34 2.20 3ii0C1 GLU 179 HG3 0.04 0.03 -0.17 -0.04 2.34 2.20 3ii0C1 ASN 180 H 0.02 0.36 -0.38 -0.55 8.53 7.97 3ii0C1 ASN 180 HA 0.03 0.10 0.66 -0.75 4.76 4.80 3ii0C1 ASN 180 HB2 0.06 0.06 0.08 -0.04 2.88 3.04 3ii0C1 ASN 180 HB3 0.07 -0.08 0.09 -0.04 2.79 2.82 3ii0C1 ASN 180 HD21 0.03 -0.13 -0.03 -0.04 7.03 6.87 3ii0C1 ASN 180 HD22 0.05 0.10 -0.04 -0.04 7.74 7.80 3ii0C1 ALA 181 H -0.04 0.26 -0.47 -0.55 8.40 7.60 3ii0C1 ALA 181 HA 0.14 -0.03 0.43 -0.75 4.34 4.13 3ii0C1 ALA 181 HB3 -0.26 0.01 0.04 -0.04 1.41 1.15 3ii0C1 PRO 182 HA 0.05 0.01 0.60 -0.51 4.44 4.59 3ii0C1 PRO 182 HB2 0.14 0.04 0.03 -0.04 2.28 2.45 3ii0C1 PRO 182 HB3 0.09 -0.02 0.12 -0.04 2.02 2.18 3ii0C1 PRO 182 HG2 0.13 -0.00 0.10 -0.04 2.03 2.22 3ii0C1 PRO 182 HG3 0.10 0.02 0.11 -0.04 2.03 2.21 3ii0C1 PRO 182 HD2 0.29 0.01 0.20 -0.04 3.68 4.14 3ii0C1 PRO 182 HD3 0.19 0.17 0.22 -0.04 3.65 4.19 3ii0C1 GLU 183 H -0.02 0.01 0.18 -0.55 8.60 8.22 3ii0C1 GLU 183 HA -0.12 0.36 0.52 -0.75 4.29 4.30 3ii0C1 GLU 183 HB2 -0.24 -0.11 0.15 -0.04 2.09 1.84 3ii0C1 GLU 183 HB3 -0.92 0.01 0.04 -0.04 1.99 1.08 3ii0C1 GLU 183 HG2 -0.03 0.11 0.11 -0.04 2.34 2.49 3ii0C1 GLU 183 HG3 -0.07 -0.03 0.15 -0.04 2.34 2.35 3ii0C1 PHE 184 H -0.04 0.44 0.11 -0.55 8.34 8.30 3ii0C1 PHE 184 HA 0.31 0.35 0.43 -0.75 4.62 4.96 3ii0C1 PHE 184 HB2 0.07 0.17 0.19 -0.04 3.15 3.54 3ii0C1 PHE 184 HB3 0.05 -0.12 0.17 -0.04 3.06 3.12 3ii0C1 PHE 184 HD2 0.09 0.12 -0.02 -0.04 7.28 7.43 3ii0C1 PHE 184 HE2 -0.17 -0.04 -0.01 -0.04 7.38 7.12 3ii0C1 PHE 184 HZ -0.40 -0.05 -0.02 -0.04 7.32 6.81 3ii0C1 SER 185 H 0.20 0.40 -0.30 -0.55 8.46 8.22 3ii0C1 SER 185 HA 0.27 0.06 0.32 -0.75 4.49 4.39 3ii0C1 SER 185 HB2 0.16 -0.05 -0.06 -0.04 3.95 3.97 3ii0C1 SER 185 HB3 0.36 -0.03 -0.11 -0.04 3.93 4.11 3ii0C1 ILE 186 H 0.17 0.65 0.30 -0.55 8.25 8.82 3ii0C1 ILE 186 HA 0.23 0.13 0.70 -0.75 4.18 4.49 3ii0C1 ILE 186 HB -0.08 0.01 0.20 -0.04 1.89 1.98 3ii0C1 ILE 186 HG12 -0.21 -0.05 -0.01 -0.04 1.49 1.18 3ii0C1 ILE 186 HG13 0.16 0.12 0.00 -0.04 1.21 1.45 3ii0C1 ILE 186 HG23 0.15 -0.04 -0.15 -0.04 0.93 0.85 3ii0C1 ILE 186 HD13 -0.06 0.00 -0.07 -0.04 0.88 0.71 3ii0C1 VAL 187 H 0.14 0.79 0.29 -0.55 8.24 8.91 3ii0C1 VAL 187 HA 0.14 0.18 1.01 -0.75 4.13 4.71 3ii0C1 VAL 187 HB -0.01 -0.06 -0.00 -0.04 2.12 2.01 3ii0C1 VAL 187 HG13 0.03 -0.03 -0.30 -0.04 0.97 0.63 3ii0C1 VAL 187 HG23 0.01 0.04 -0.25 -0.04 0.95 0.71 3ii0C1 VAL 188 H 0.01 0.76 0.23 -0.55 8.24 8.69 3ii0C1 VAL 188 HA -0.08 0.32 0.85 -0.75 4.13 4.47 3ii0C1 VAL 188 HB -0.25 -0.03 0.27 -0.04 2.12 2.07 3ii0C1 VAL 188 HG13 -0.67 -0.04 -0.08 -0.04 0.97 0.14 3ii0C1 VAL 188 HG23 -0.67 0.02 -0.08 -0.04 0.95 0.18 3ii0C1 LEU 189 H -0.11 0.54 0.25 -0.55 8.37 8.51 3ii0C1 LEU 189 HA 0.26 0.11 0.82 -0.75 4.35 4.79 3ii0C1 LEU 189 HB2 -0.74 -0.04 -0.03 -0.04 1.64 0.78 3ii0C1 LEU 189 HB3 0.08 0.02 -0.16 -0.04 1.64 1.54 3ii0C1 LEU 189 HG -0.13 0.08 -0.43 -0.04 1.64 1.11 3ii0C1 LEU 189 HD13 -0.66 -0.00 -0.13 -0.04 0.93 0.10 3ii0C1 LEU 189 HD23 0.27 0.01 -0.14 -0.04 0.89 0.99 3ii0C1 HIS 190 H 0.56 0.18 0.15 -0.55 8.41 8.76 3ii0C1 HIS 190 HA 0.23 0.12 0.71 -0.75 4.63 4.94 3ii0C1 HIS 190 HB2 0.35 0.02 0.11 -0.04 3.26 3.70 3ii0C1 HIS 190 HB3 0.20 0.02 -0.04 -0.04 3.20 3.34 3ii0C1 HIS 190 HD2 0.13 0.07 0.10 -0.04 6.97 7.22 3ii0C1 HIS 190 HE1 -0.26 0.08 0.24 -0.04 7.75 7.76 3ii0C1 ALA 191 H 0.31 0.67 0.40 -0.55 8.40 9.24 3ii0C1 ALA 191 HA 0.35 0.08 0.28 -0.75 4.34 4.29 3ii0C1 ALA 191 HB3 0.12 -0.04 0.07 -0.04 1.41 1.52 3ii0C1 CYS 192 H 0.31 0.27 -0.00 -0.55 8.50 8.53 3ii0C1 CYS 192 HA 0.36 0.15 0.32 -0.75 4.58 4.66 3ii0C1 CYS 192 HB2 0.22 -0.10 0.16 -0.04 2.97 3.21 3ii0C1 CYS 192 HB3 0.22 0.39 0.01 -0.04 2.97 3.54 3ii0C1 ALA 193 H 0.22 0.19 0.02 -0.55 8.40 8.27 3ii0C1 ALA 193 HA 0.12 0.18 0.16 -0.75 4.34 4.04 3ii0C1 ALA 193 HB3 0.05 -0.01 -0.03 -0.04 1.41 1.38 3ii0C1 HIS 194 H 0.25 0.10 -0.29 -0.55 8.41 7.93 3ii0C1 HIS 194 HA -0.01 0.01 0.23 -0.75 4.63 4.10 3ii0C1 HIS 194 HB2 0.07 0.11 -0.02 -0.04 3.26 3.38 3ii0C1 HIS 194 HB3 0.03 -0.13 -0.01 -0.04 3.20 3.04 3ii0C1 HIS 194 HD2 -0.74 -0.04 0.04 -0.04 6.97 6.19 3ii0C1 HIS 194 HE1 -0.42 0.22 -0.25 -0.04 7.75 7.26 3ii0C1 ASN 195 H -0.38 0.16 0.19 -0.55 8.53 7.95 3ii0C1 ASN 195 HA -0.27 0.17 0.76 -0.75 4.76 4.67 3ii0C1 ASN 195 HB2 -0.06 0.08 0.08 -0.04 2.88 2.94 3ii0C1 ASN 195 HB3 -0.04 -0.08 0.20 -0.04 2.79 2.83 3ii0C1 ASN 195 HD21 -0.12 -0.01 -0.02 -0.04 7.03 6.84 3ii0C1 ASN 195 HD22 -0.19 -0.02 0.01 -0.04 7.74 7.49 3ii0C1 PRO 196 HA -0.43 0.05 0.26 -0.51 4.44 3.81 3ii0C1 PRO 196 HB2 -0.17 0.07 -0.06 -0.04 2.28 2.08 3ii0C1 PRO 196 HB3 -0.29 -0.03 -0.09 -0.04 2.02 1.58 3ii0C1 PRO 196 HG2 -0.93 0.10 -0.21 -0.04 2.03 0.95 3ii0C1 PRO 196 HG3 -0.21 0.04 -0.09 -0.04 2.03 1.73 3ii0C1 PRO 196 HD2 -0.29 0.16 -0.22 -0.04 3.68 3.29 3ii0C1 PRO 196 HD3 -0.23 0.09 0.10 -0.04 3.65 3.58 3ii0C1 THR 197 H 0.00 0.07 -0.26 -0.55 8.28 7.54 3ii0C1 THR 197 HA -0.87 0.14 0.14 -0.75 4.39 3.04 3ii0C1 THR 197 HB -0.30 0.08 -0.03 -0.04 4.32 4.03 3ii0C1 THR 197 HG23 -0.65 0.01 -0.09 -0.04 1.22 0.45 3ii0C1 GLY 198 H 0.06 0.45 -0.18 -0.55 8.43 8.21 3ii0C1 GLY 198 HA2 0.11 0.05 0.30 -0.51 4.01 3.95 3ii0C1 GLY 198 HA3 0.11 0.23 0.60 -0.51 4.01 4.44 3ii0C1 ILE 199 H 0.16 0.00 -0.36 -0.55 8.25 7.50 3ii0C1 ILE 199 HA 0.13 0.25 0.92 -0.75 4.18 4.73 3ii0C1 ILE 199 HB 0.21 -0.09 -0.09 -0.04 1.89 1.88 3ii0C1 ILE 199 HG12 0.31 0.11 -0.38 -0.04 1.49 1.49 3ii0C1 ILE 199 HG13 0.41 0.03 -0.14 -0.04 1.21 1.47 3ii0C1 ILE 199 HG23 -0.00 -0.03 -0.16 -0.04 0.93 0.70 3ii0C1 ILE 199 HD13 0.14 0.03 -0.04 -0.04 0.88 0.97 3ii0C1 ASP 200 H 0.12 0.28 0.09 -0.55 8.40 8.34 3ii0C1 ASP 200 HA 0.24 0.16 0.82 -0.75 4.63 5.10 3ii0C1 ASP 200 HB2 0.19 0.03 0.03 -0.04 2.71 2.93 3ii0C1 ASP 200 HB3 0.35 0.20 0.03 -0.04 2.70 3.24 3ii0C1 PRO 201 HA -0.19 -0.00 0.61 -0.51 4.44 4.34 3ii0C1 PRO 201 HB2 -1.47 0.06 -0.07 -0.04 2.28 0.76 3ii0C1 PRO 201 HB3 -0.58 -0.02 0.00 -0.04 2.02 1.38 3ii0C1 PRO 201 HG2 -1.72 0.08 0.02 -0.04 2.03 0.36 3ii0C1 PRO 201 HG3 -0.31 0.05 0.02 -0.04 2.03 1.74 3ii0C1 PRO 201 HD2 0.11 0.12 0.17 -0.04 3.68 4.04 3ii0C1 PRO 201 HD3 0.13 0.15 0.16 -0.04 3.65 4.05 3ii0C1 THR 202 H -0.10 0.06 0.18 -0.55 8.28 7.88 3ii0C1 THR 202 HA 0.01 0.22 0.64 -0.75 4.39 4.51 3ii0C1 THR 202 HB -0.07 0.08 0.18 -0.04 4.32 4.46 3ii0C1 THR 202 HG23 -0.05 0.04 0.11 -0.04 1.22 1.28 3ii0C1 PRO 203 HA -0.13 0.10 0.47 -0.51 4.44 4.37 3ii0C1 PRO 203 HB2 -0.51 0.02 0.08 -0.04 2.28 1.82 3ii0C1 PRO 203 HB3 -1.82 0.09 0.06 -0.04 2.02 0.31 3ii0C1 PRO 203 HG2 -0.57 0.08 0.09 -0.04 2.03 1.59 3ii0C1 PRO 203 HG3 -0.84 0.06 0.08 -0.04 2.03 1.29 3ii0C1 PRO 203 HD2 -0.18 0.10 0.23 -0.04 3.68 3.80 3ii0C1 PRO 203 HD3 -0.10 0.19 0.19 -0.04 3.65 3.90 3ii0C1 GLU 204 H -0.11 0.13 -0.16 -0.55 8.60 7.91 3ii0C1 GLU 204 HA -0.03 0.14 0.38 -0.75 4.29 4.03 3ii0C1 GLU 204 HB2 -0.06 -0.05 0.06 -0.04 2.09 2.01 3ii0C1 GLU 204 HB3 -0.04 0.06 -0.02 -0.04 1.99 1.95 3ii0C1 GLU 204 HG2 -0.08 -0.04 0.03 -0.04 2.34 2.21 3ii0C1 GLU 204 HG3 -0.04 0.06 0.01 -0.04 2.34 2.33 3ii0C1 GLN 205 H -0.06 0.04 -0.25 -0.55 8.47 7.65 3ii0C1 GLN 205 HA -0.08 0.08 0.56 -0.75 4.36 4.17 3ii0C1 GLN 205 HB2 -0.19 0.05 0.14 -0.04 2.15 2.11 3ii0C1 GLN 205 HB3 -0.20 0.02 0.04 -0.04 2.02 1.85 3ii0C1 GLN 205 HG2 -0.10 0.05 0.04 -0.04 2.40 2.36 3ii0C1 GLN 205 HG3 -0.09 -0.06 0.06 -0.04 2.39 2.27 3ii0C1 GLN 205 HE21 -0.10 0.04 0.05 -0.04 6.97 6.92 3ii0C1 GLN 205 HE22 -0.09 0.03 0.03 -0.04 7.69 7.62 3ii0C1 TRP 206 H 0.14 0.56 -0.18 -0.55 7.97 7.94 3ii0C1 TRP 206 HA 0.13 -0.00 0.38 -0.75 4.62 4.38 3ii0C1 TRP 206 HB2 0.29 0.13 0.14 -0.04 3.23 3.74 3ii0C1 TRP 206 HB3 0.38 0.00 -0.04 -0.04 3.23 3.53 3ii0C1 TRP 206 HD1 0.17 -0.04 -0.39 -0.04 7.22 6.92 3ii0C1 TRP 206 HE1 0.24 0.04 -0.01 -0.04 10.20 10.43 3ii0C1 TRP 206 HE3 0.38 -0.04 0.03 -0.04 7.59 7.93 3ii0C1 TRP 206 HZ2 0.31 0.10 0.00 -0.04 7.44 7.81 3ii0C1 TRP 206 HZ3 0.08 0.02 -0.09 -0.04 7.13 7.11 3ii0C1 TRP 206 HH2 0.24 -0.02 -0.10 -0.04 7.19 7.27 3ii0C1 LYS 207 H 0.13 0.36 -0.35 -0.55 8.42 8.01 3ii0C1 LYS 207 HA 0.05 0.06 0.42 -0.75 4.32 4.09 3ii0C1 LYS 207 HB2 0.02 0.14 0.13 -0.04 1.87 2.12 3ii0C1 LYS 207 HB3 0.07 -0.00 0.01 -0.04 1.79 1.83 3ii0C1 LYS 207 HG2 -0.47 0.01 -0.01 -0.04 1.46 0.96 3ii0C1 LYS 207 HG3 -0.08 0.10 0.02 -0.04 1.46 1.46 3ii0C1 LYS 207 HD2 0.02 -0.07 -0.03 -0.04 1.69 1.57 3ii0C1 LYS 207 HD3 0.07 0.02 -0.01 -0.04 1.68 1.72 3ii0C1 LYS 207 HE2 0.21 0.04 -0.04 -0.04 2.99 3.16 3ii0C1 LYS 207 HE3 0.23 -0.03 -0.08 -0.04 2.99 3.07 3ii0C1 GLN 208 H 0.01 0.30 -0.17 -0.55 8.47 8.07 3ii0C1 GLN 208 HA -0.01 0.07 0.52 -0.75 4.36 4.18 3ii0C1 GLN 208 HB2 -0.09 0.08 0.16 -0.04 2.15 2.26 3ii0C1 GLN 208 HB3 -0.08 -0.02 0.04 -0.04 2.02 1.92 3ii0C1 GLN 208 HG2 -0.03 0.01 0.02 -0.04 2.40 2.35 3ii0C1 GLN 208 HG3 -0.03 0.15 0.10 -0.04 2.39 2.58 3ii0C1 GLN 208 HE21 -0.06 -0.06 -0.05 -0.04 6.97 6.77 3ii0C1 GLN 208 HE22 -0.05 0.05 -0.16 -0.04 7.69 7.50 3ii0C1 ILE 209 H -0.03 0.49 -0.14 -0.55 8.25 8.02 3ii0C1 ILE 209 HA -0.24 0.02 0.38 -0.75 4.18 3.58 3ii0C1 ILE 209 HB 0.19 0.09 0.17 -0.04 1.89 2.30 3ii0C1 ILE 209 HG12 -1.05 -0.02 -0.05 -0.04 1.49 0.34 3ii0C1 ILE 209 HG13 -0.37 0.06 0.00 -0.04 1.21 0.86 3ii0C1 ILE 209 HG23 -0.06 -0.00 -0.15 -0.04 0.93 0.67 3ii0C1 ILE 209 HD13 -0.56 -0.04 -0.13 -0.04 0.88 0.11 3ii0C1 ALA 210 H 0.19 0.67 -0.03 -0.55 8.40 8.68 3ii0C1 ALA 210 HA -0.10 0.01 0.37 -0.75 4.34 3.86 3ii0C1 ALA 210 HB3 -0.15 0.03 0.05 -0.04 1.41 1.30 3ii0C1 SER 211 H 0.05 0.38 -0.40 -0.55 8.46 7.94 3ii0C1 SER 211 HA 0.03 0.04 0.36 -0.75 4.49 4.17 3ii0C1 SER 211 HB2 0.03 0.04 0.12 -0.04 3.95 4.11 3ii0C1 SER 211 HB3 -0.00 0.06 0.17 -0.04 3.93 4.12 3ii0C1 VAL 212 H -0.02 0.46 -0.11 -0.55 8.24 8.02 3ii0C1 VAL 212 HA 0.02 0.05 0.54 -0.75 4.13 4.00 3ii0C1 VAL 212 HB -0.07 0.06 0.12 -0.04 2.12 2.18 3ii0C1 VAL 212 HG13 -0.00 0.01 -0.19 -0.04 0.97 0.75 3ii0C1 VAL 212 HG23 -0.06 0.01 0.04 -0.04 0.95 0.90 3ii0C1 MET 213 H 0.04 0.51 -0.10 -0.55 8.47 8.37 3ii0C1 MET 213 HA 0.06 0.03 0.40 -0.75 4.52 4.25 3ii0C1 MET 213 HB2 0.15 0.05 0.12 -0.04 2.15 2.43 3ii0C1 MET 213 HB3 0.20 0.08 -0.03 -0.04 2.03 2.24 3ii0C1 MET 213 HG2 0.03 -0.00 -0.08 -0.04 2.63 2.53 3ii0C1 MET 213 HG3 0.01 0.11 -0.03 -0.04 2.56 2.61 3ii0C1 MET 213 HE3 -0.02 0.02 -0.25 -0.04 2.10 1.81 3ii0C1 LYS 214 H 0.16 0.62 -0.13 -0.55 8.42 8.52 3ii0C1 LYS 214 HA -0.09 0.04 0.38 -0.75 4.32 3.90 3ii0C1 LYS 214 HB2 -0.02 0.09 0.13 -0.04 1.87 2.03 3ii0C1 LYS 214 HB3 -0.09 0.03 0.07 -0.04 1.79 1.75 3ii0C1 HIS 215 H 0.02 0.32 -0.32 -0.55 8.41 7.88 3ii0C1 HIS 215 HA -0.29 -0.02 0.33 -0.75 4.63 3.90 3ii0C1 HIS 215 HB2 -0.11 -0.02 0.15 -0.04 3.26 3.25 3ii0C1 HIS 215 HB3 -0.10 0.13 0.23 -0.04 3.20 3.41 3ii0C1 HIS 215 HD2 -0.10 -0.04 0.07 -0.04 6.97 6.86 3ii0C1 HIS 215 HE1 -0.03 -0.01 -0.01 -0.04 7.75 7.66 3ii0C1 ARG 216 H -0.14 0.43 -0.16 -0.55 8.46 8.03 3ii0C1 ARG 216 HA -0.32 0.15 0.90 -0.75 4.34 4.32 3ii0C1 ARG 216 HB2 -0.07 0.03 0.03 -0.04 1.90 1.85 3ii0C1 ARG 216 HB3 -0.08 0.00 0.08 -0.04 1.80 1.76 3ii0C1 ARG 216 HG2 -0.37 -0.01 -0.09 -0.04 1.67 1.16 3ii0C1 ARG 216 HG3 -0.14 -0.10 -0.16 -0.04 1.67 1.23 3ii0C1 ARG 216 HD2 -0.03 -0.11 0.07 -0.04 3.22 3.11 3ii0C1 ARG 216 HD3 -0.02 0.09 0.07 -0.04 3.22 3.32 3ii0C1 PHE 217 H -0.42 0.35 -0.31 -0.55 8.34 7.40 3ii0C1 PHE 217 HA 0.10 0.05 0.32 -0.75 4.62 4.33 3ii0C1 PHE 217 HB2 -0.53 0.01 0.11 -0.04 3.15 2.70 3ii0C1 PHE 217 HB3 0.19 -0.06 0.17 -0.04 3.06 3.33 3ii0C1 PHE 217 HD2 -0.15 -0.00 -0.13 -0.04 7.28 6.97 3ii0C1 PHE 217 HE2 -0.06 -0.05 0.02 -0.04 7.38 7.25 3ii0C1 PHE 217 HZ -0.02 -0.08 0.02 -0.04 7.32 7.20 3ii0C1 LEU 218 H 0.14 0.51 -0.05 -0.55 8.37 8.43 3ii0C1 LEU 218 HA 0.25 0.18 0.40 -0.75 4.35 4.42 3ii0C1 LEU 218 HB2 0.11 -0.16 0.02 -0.04 1.64 1.57 3ii0C1 LEU 218 HB3 0.10 0.02 -0.09 -0.04 1.64 1.63 3ii0C1 LEU 218 HG 0.02 -0.03 -0.12 -0.04 1.64 1.47 3ii0C1 LEU 218 HD13 -0.06 0.01 -0.12 -0.04 0.93 0.71 3ii0C1 LEU 218 HD23 0.06 0.03 -0.20 -0.04 0.89 0.73 3ii0C1 PHE 219 H 0.37 0.58 0.10 -0.55 8.34 8.85 3ii0C1 PHE 219 HA 0.17 0.21 0.76 -0.75 4.62 5.01 3ii0C1 PHE 219 HB2 0.02 0.10 0.04 -0.04 3.15 3.28 3ii0C1 PHE 219 HB3 -0.07 -0.11 0.12 -0.04 3.06 2.97 3ii0C1 PHE 219 HD2 -0.08 -0.05 -0.20 -0.04 7.28 6.90 3ii0C1 PHE 219 HE2 -0.47 -0.09 -0.10 -0.04 7.38 6.68 3ii0C1 PHE 219 HZ -1.36 -0.09 -0.15 -0.04 7.32 5.68 3ii0C1 PRO 220 HA -0.19 0.16 0.73 -0.51 4.44 4.64 3ii0C1 PRO 220 HB2 -0.55 -0.07 0.02 -0.04 2.28 1.65 3ii0C1 PRO 220 HB3 -0.66 -0.03 0.02 -0.04 2.02 1.31 3ii0C1 PRO 220 HG2 -0.33 -0.01 0.02 -0.04 2.03 1.66 3ii0C1 PRO 220 HG3 -0.29 0.07 -0.00 -0.04 2.03 1.77 3ii0C1 PRO 220 HD2 -0.47 0.11 0.35 -0.04 3.68 3.63 3ii0C1 PRO 220 HD3 0.03 0.40 0.38 -0.04 3.65 4.41 3ii0C1 PHE 221 H 0.03 0.76 0.28 -0.55 8.34 8.85 3ii0C1 PHE 221 HA 0.23 0.18 0.83 -0.75 4.62 5.10 3ii0C1 PHE 221 HB2 0.29 0.08 -0.09 -0.04 3.15 3.38 3ii0C1 PHE 221 HB3 0.11 -0.08 0.10 -0.04 3.06 3.16 3ii0C1 PHE 221 HD2 0.37 0.13 -0.21 -0.04 7.28 7.53 3ii0C1 PHE 221 HE2 0.32 -0.06 -0.19 -0.04 7.38 7.41 3ii0C1 PHE 221 HZ 0.27 0.03 0.02 -0.04 7.32 7.60 3ii0C1 PHE 222 H 0.49 0.62 0.19 -0.55 8.34 9.08 3ii0C1 PHE 222 HA 0.09 0.22 0.73 -0.75 4.62 4.91 3ii0C1 PHE 222 HB2 0.16 0.07 0.18 -0.04 3.15 3.52 3ii0C1 PHE 222 HB3 0.06 -0.12 -0.07 -0.04 3.06 2.89 3ii0C1 PHE 222 HD2 -0.11 0.05 -0.14 -0.04 7.28 7.03 3ii0C1 PHE 222 HE2 -1.20 0.04 -0.14 -0.04 7.38 6.05 3ii0C1 PHE 222 HZ -2.03 0.04 -0.16 -0.04 7.32 5.13 3ii0C1 ASP 223 H 0.20 0.74 0.42 -0.55 8.40 9.21 3ii0C1 ASP 223 HA 0.16 0.16 0.85 -0.75 4.63 5.04 3ii0C1 ASP 223 HB2 -0.00 0.12 0.00 -0.04 2.71 2.79 3ii0C1 ASP 223 HB3 -0.04 -0.06 0.17 -0.04 2.70 2.73 3ii0C1 SER 224 H 0.10 0.95 0.20 -0.55 8.46 9.16 3ii0C1 SER 224 HA 0.12 0.02 0.99 -0.75 4.49 4.87 3ii0C1 SER 224 HB2 0.08 0.05 -0.05 -0.04 3.95 3.99 3ii0C1 SER 224 HB3 0.04 0.12 0.11 -0.04 3.93 4.16 3ii0C1 ALA 225 H 0.05 0.24 0.05 -0.55 8.40 8.20 3ii0C1 ALA 225 HA -0.23 0.08 0.93 -0.75 4.34 4.37 3ii0C1 ALA 225 HB3 -0.42 0.03 0.05 -0.04 1.41 1.03 3ii0C1 TYR 226 H 0.15 0.07 -0.03 -0.55 8.29 7.92 3ii0C1 TYR 226 HA 0.13 0.20 0.80 -0.75 4.56 4.94 3ii0C1 TYR 226 HB2 0.10 0.07 -0.02 -0.04 3.06 3.17 3ii0C1 TYR 226 HB3 0.08 -0.03 0.10 -0.04 2.98 3.08 3ii0C1 TYR 226 HD2 -0.31 0.00 -0.03 -0.04 7.15 6.77 3ii0C1 TYR 226 HE2 -0.19 0.03 -0.01 -0.04 6.85 6.63 3ii0C1 GLN 227 H 0.12 0.16 -0.14 -0.55 8.47 8.07 3ii0C1 GLN 227 HA 0.16 -0.02 0.31 -0.75 4.36 4.05 3ii0C1 GLN 227 HB2 0.09 -0.00 0.03 -0.04 2.15 2.23 3ii0C1 GLN 227 HB3 0.16 0.05 0.03 -0.04 2.02 2.21 3ii0C1 GLN 227 HG2 0.11 -0.06 -0.11 -0.04 2.40 2.30 3ii0C1 GLN 227 HG3 0.10 -0.00 -0.13 -0.04 2.39 2.32 3ii0C1 GLN 227 HE21 0.15 0.38 -0.07 -0.04 6.97 7.38 3ii0C1 GLN 227 HE22 0.12 0.36 0.06 -0.04 7.69 8.18 3ii0C1 GLY 228 H 0.10 0.02 0.14 -0.55 8.43 8.14 3ii0C1 GLY 228 HA2 -0.09 -0.07 0.08 -0.51 4.01 3.41 3ii0C1 GLY 228 HA3 -0.18 0.30 0.72 -0.51 4.01 4.33 3ii0C1 PHE 229 H 0.31 0.66 -0.03 -0.55 8.34 8.73 3ii0C1 PHE 229 HA 0.00 0.24 0.53 -0.75 4.62 4.64 3ii0C1 PHE 229 HB2 0.13 0.04 0.05 -0.04 3.15 3.33 3ii0C1 PHE 229 HB3 0.03 -0.01 -0.02 -0.04 3.06 3.02 3ii0C1 PHE 229 HD2 0.08 0.06 -0.17 -0.04 7.28 7.21 3ii0C1 PHE 229 HE2 0.05 -0.05 -0.28 -0.04 7.38 7.06 3ii0C1 PHE 229 HZ 0.05 0.17 -0.17 -0.04 7.32 7.33 3ii0C1 ALA 230 H 0.16 -0.06 -0.08 -0.55 8.40 7.88 3ii0C1 ALA 230 HA 0.13 0.11 0.64 -0.75 4.34 4.47 3ii0C1 ALA 230 HB3 0.15 -0.02 0.10 -0.04 1.41 1.60 3ii0C1 SER 231 H 0.06 -0.12 -0.01 -0.55 8.46 7.85 3ii0C1 SER 231 HA 0.03 0.36 0.79 -0.75 4.49 4.92 3ii0C1 SER 231 HB2 0.02 0.12 0.10 -0.04 3.95 4.15 3ii0C1 SER 231 HB3 0.05 0.01 -0.02 -0.04 3.93 3.93 3ii0C1 GLY 232 H -0.02 0.04 -0.27 -0.55 8.43 7.63 3ii0C1 GLY 232 HA2 -0.15 0.26 0.40 -0.51 4.01 4.00 3ii0C1 GLY 232 HA3 -0.08 0.15 0.66 -0.51 4.01 4.23 3ii0C1 ASN 233 H -0.03 -0.06 -0.27 -0.55 8.53 7.61 3ii0C1 ASN 233 HA -0.08 0.23 0.86 -0.75 4.76 5.02 3ii0C1 ASN 233 HB2 -0.02 0.23 -0.14 -0.04 2.88 2.91 3ii0C1 ASN 233 HB3 0.01 -0.09 0.04 -0.04 2.79 2.71 3ii0C1 ASN 233 HD21 0.02 0.03 0.02 -0.04 7.03 7.05 3ii0C1 ASN 233 HD22 -0.01 0.14 0.01 -0.04 7.74 7.84 3ii0C1 LEU 234 H -0.07 0.29 0.14 -0.55 8.37 8.18 3ii0C1 LEU 234 HA 0.02 -0.04 0.19 -0.75 4.35 3.76 3ii0C1 LEU 234 HB2 0.03 0.03 0.12 -0.04 1.64 1.77 3ii0C1 LEU 234 HB3 0.14 0.12 -0.04 -0.04 1.64 1.82 3ii0C1 LEU 234 HG -0.23 -0.11 -0.09 -0.04 1.64 1.17 3ii0C1 LEU 234 HD13 -0.69 0.04 0.02 -0.04 0.93 0.26 3ii0C1 LEU 234 HD23 0.08 0.00 -0.18 -0.04 0.89 0.76 3ii0C1 GLU 235 H 0.07 0.10 -0.04 -0.55 8.60 8.19 3ii0C1 GLU 235 HA 0.10 0.23 0.46 -0.75 4.29 4.33 3ii0C1 GLU 235 HB2 0.10 0.07 0.08 -0.04 2.09 2.30 3ii0C1 GLU 235 HB3 0.08 -0.07 0.09 -0.04 1.99 2.05 3ii0C1 GLU 235 HG2 0.11 -0.03 -0.27 -0.04 2.34 2.11 3ii0C1 GLU 235 HG3 0.10 0.06 -0.05 -0.04 2.34 2.41 3ii0C1 ARG 236 H 0.07 0.05 -0.23 -0.55 8.46 7.80 3ii0C1 ARG 236 HA 0.15 0.00 0.35 -0.75 4.34 4.08 3ii0C1 ARG 236 HB2 0.06 0.00 0.07 -0.04 1.90 1.99 3ii0C1 ARG 236 HB3 0.05 0.02 0.10 -0.04 1.80 1.93 3ii0C1 ARG 236 HG2 0.04 0.04 -0.02 -0.04 1.67 1.68 3ii0C1 ARG 236 HG3 0.08 -0.04 -0.33 -0.04 1.67 1.35 3ii0C1 ARG 236 HD2 0.06 -0.02 0.09 -0.04 3.22 3.30 3ii0C1 ARG 236 HD3 0.01 0.04 0.02 -0.04 3.22 3.25 3ii0C1 ASP 237 H 0.08 0.46 -0.14 -0.55 8.40 8.26 3ii0C1 ASP 237 HA 0.14 0.06 0.39 -0.75 4.63 4.47 3ii0C1 ASP 237 HB2 0.09 0.17 0.12 -0.04 2.71 3.04 3ii0C1 ASP 237 HB3 0.13 -0.04 0.08 -0.04 2.70 2.83 3ii0C1 ALA 238 H 0.11 0.36 -0.55 -0.55 8.40 7.77 3ii0C1 ALA 238 HA 0.01 0.02 0.70 -0.75 4.34 4.32 3ii0C1 ALA 238 HB3 0.04 0.09 0.18 -0.04 1.41 1.67 3ii0C1 TRP 239 H 0.25 0.49 -0.28 -0.55 7.97 7.88 3ii0C1 TRP 239 HA -0.01 0.06 0.23 -0.75 4.62 4.14 3ii0C1 TRP 239 HB2 0.02 0.03 0.18 -0.04 3.23 3.43 3ii0C1 TRP 239 HB3 -0.00 -0.01 0.13 -0.04 3.23 3.31 3ii0C1 TRP 239 HD1 0.04 -0.00 0.01 -0.04 7.22 7.22 3ii0C1 TRP 239 HE1 0.06 0.03 -0.02 -0.04 10.20 10.22 3ii0C1 TRP 239 HE3 -0.13 0.02 -0.31 -0.04 7.59 7.13 3ii0C1 TRP 239 HZ2 -0.04 0.04 -0.04 -0.04 7.44 7.36 3ii0C1 TRP 239 HZ3 -0.02 0.00 -0.04 -0.04 7.13 7.03 3ii0C1 TRP 239 HH2 -0.55 0.07 -0.05 -0.04 7.19 6.63 3ii0C1 ALA 240 H 0.03 0.20 -0.14 -0.55 8.40 7.94 3ii0C1 ALA 240 HA -0.33 0.06 0.37 -0.75 4.34 3.69 3ii0C1 ALA 240 HB3 -1.26 0.03 0.07 -0.04 1.41 0.21 3ii0C1 ILE 241 H -0.45 0.12 -0.16 -0.55 8.25 7.22 3ii0C1 ILE 241 HA -1.04 0.03 0.39 -0.75 4.18 2.81 3ii0C1 ILE 241 HB -0.24 0.25 0.15 -0.04 1.89 2.01 3ii0C1 ILE 241 HG12 -0.80 -0.01 -0.02 -0.04 1.49 0.62 3ii0C1 ILE 241 HG13 -0.69 -0.07 0.05 -0.04 1.21 0.45 3ii0C1 ILE 241 HG23 -0.08 -0.01 -0.19 -0.04 0.93 0.61 3ii0C1 ILE 241 HD13 -0.11 -0.02 -0.00 -0.04 0.88 0.70 3ii0C1 ARG 242 H -0.25 0.48 -0.19 -0.55 8.46 7.94 3ii0C1 ARG 242 HA -0.09 0.02 0.35 -0.75 4.34 3.87 3ii0C1 ARG 242 HB2 -0.28 0.04 0.08 -0.04 1.90 1.69 3ii0C1 ARG 242 HB3 -0.14 -0.04 0.08 -0.04 1.80 1.66 3ii0C1 ARG 242 HG2 -0.06 -0.01 0.05 -0.04 1.67 1.60 3ii0C1 ARG 242 HG3 -0.10 0.23 0.09 -0.04 1.67 1.85 3ii0C1 ARG 242 HD2 -0.02 -0.09 -0.12 -0.04 3.22 2.95 3ii0C1 ARG 242 HD3 -0.03 0.01 -0.10 -0.04 3.22 3.05 3ii0C1 TYR 243 H -0.44 0.39 -0.28 -0.55 8.29 7.42 3ii0C1 TYR 243 HA -0.45 0.02 0.36 -0.75 4.56 3.74 3ii0C1 TYR 243 HB2 -1.81 0.00 0.08 -0.04 3.06 1.30 3ii0C1 TYR 243 HB3 -0.60 0.09 0.14 -0.04 2.98 2.57 3ii0C1 TYR 243 HD2 -0.27 0.01 -0.11 -0.04 7.15 6.73 3ii0C1 TYR 243 HE2 -0.02 0.01 -0.05 -0.04 6.85 6.75 3ii0C1 PHE 244 H 0.07 0.51 -0.09 -0.55 8.34 8.28 3ii0C1 PHE 244 HA -0.10 0.03 0.46 -0.75 4.62 4.26 3ii0C1 PHE 244 HB2 -0.61 0.11 0.12 -0.04 3.15 2.72 3ii0C1 PHE 244 HB3 -0.81 0.01 -0.06 -0.04 3.06 2.15 3ii0C1 PHE 244 HD2 -0.82 0.13 0.00 -0.04 7.28 6.56 3ii0C1 PHE 244 HE2 -0.28 0.00 -0.05 -0.04 7.38 7.01 3ii0C1 PHE 244 HZ 0.05 -0.04 -0.12 -0.04 7.32 7.17 3ii0C1 VAL 245 H 0.05 0.37 -0.27 -0.55 8.24 7.84 3ii0C1 VAL 245 HA 0.31 0.12 0.48 -0.75 4.13 4.29 3ii0C1 VAL 245 HB 0.01 0.16 0.21 -0.04 2.12 2.45 3ii0C1 VAL 245 HG13 0.02 -0.02 -0.08 -0.04 0.97 0.85 3ii0C1 VAL 245 HG23 0.20 0.03 -0.02 -0.04 0.95 1.12 3ii0C1 SER 246 H -0.14 0.54 -0.05 -0.55 8.46 8.27 3ii0C1 SER 246 HA -0.07 -0.01 0.27 -0.75 4.49 3.92 3ii0C1 SER 246 HB2 -0.12 -0.06 0.10 -0.04 3.95 3.83 3ii0C1 SER 246 HB3 -0.14 0.01 0.14 -0.04 3.93 3.90 3ii0C1 GLU 247 H -0.25 0.37 -0.35 -0.55 8.60 7.83 3ii0C1 GLU 247 HA -0.20 0.07 0.69 -0.75 4.29 4.10 3ii0C1 GLU 247 HB2 -0.12 0.04 0.08 -0.04 2.09 2.04 3ii0C1 GLU 247 HB3 -0.21 -0.02 0.12 -0.04 1.99 1.83 3ii0C1 GLU 247 HG2 -1.07 0.08 -0.01 -0.04 2.34 1.30 3ii0C1 GLU 247 HG3 -0.53 -0.09 -0.04 -0.04 2.34 1.65 3ii0C1 GLY 248 H -0.02 0.51 -0.33 -0.55 8.43 8.05 3ii0C1 GLY 248 HA2 -0.00 0.02 0.26 -0.51 4.01 3.78 3ii0C1 GLY 248 HA3 -0.09 0.00 0.29 -0.51 4.01 3.71 3ii0C1 PHE 249 H 0.27 0.34 -0.10 -0.55 8.34 8.30 3ii0C1 PHE 249 HA 0.10 0.07 0.55 -0.75 4.62 4.59 3ii0C1 PHE 249 HB2 0.17 -0.01 -0.06 -0.04 3.15 3.21 3ii0C1 PHE 249 HB3 0.23 0.07 -0.16 -0.04 3.06 3.16 3ii0C1 PHE 249 HD2 -0.06 0.12 0.03 -0.04 7.28 7.33 3ii0C1 PHE 249 HE2 -0.23 0.00 -0.10 -0.04 7.38 7.01 3ii0C1 PHE 249 HZ -0.15 0.13 0.05 -0.04 7.32 7.30 3ii0C1 GLU 250 H 0.25 0.17 0.19 -0.55 8.60 8.66 3ii0C1 GLU 250 HA 0.14 0.21 0.65 -0.75 4.29 4.54 3ii0C1 GLU 250 HB2 0.22 -0.02 0.17 -0.04 2.09 2.42 3ii0C1 GLU 250 HB3 0.18 -0.01 0.11 -0.04 1.99 2.23 3ii0C1 GLU 250 HG2 0.10 -0.01 -0.17 -0.04 2.34 2.22 3ii0C1 GLU 250 HG3 0.12 0.09 -0.08 -0.04 2.34 2.43 3ii0C1 PHE 251 H -0.11 0.42 0.25 -0.55 8.34 8.34 3ii0C1 PHE 251 HA -0.95 0.11 0.55 -0.75 4.62 3.57 3ii0C1 PHE 251 HB2 -0.29 0.28 0.24 -0.04 3.15 3.35 3ii0C1 PHE 251 HB3 -0.22 0.11 -0.14 -0.04 3.06 2.77 3ii0C1 PHE 251 HD2 0.18 0.10 -0.45 -0.04 7.28 7.06 3ii0C1 PHE 251 HE2 -0.02 -0.02 -0.25 -0.04 7.38 7.06 3ii0C1 PHE 251 HZ -0.08 0.02 -0.11 -0.04 7.32 7.11 3ii0C1 PHE 252 H -0.06 0.48 0.35 -0.55 8.34 8.55 3ii0C1 PHE 252 HA -0.16 0.27 1.11 -0.75 4.62 5.09 3ii0C1 PHE 252 HB2 -0.94 -0.01 0.11 -0.04 3.15 2.27 3ii0C1 PHE 252 HB3 -0.43 -0.08 0.02 -0.04 3.06 2.53 3ii0C1 PHE 252 HD2 -0.42 0.05 -0.14 -0.04 7.28 6.72 3ii0C1 PHE 252 HE2 0.02 0.07 -0.04 -0.04 7.38 7.39 3ii0C1 PHE 252 HZ -0.29 0.00 -0.09 -0.04 7.32 6.91 3ii0C1 CYS 253 H 0.10 0.54 0.22 -0.55 8.50 8.81 3ii0C1 CYS 253 HA 0.43 0.22 0.83 -0.75 4.58 5.31 3ii0C1 CYS 253 HB2 0.32 0.08 -0.18 -0.04 2.97 3.15 3ii0C1 CYS 253 HB3 0.08 -0.00 0.04 -0.04 2.97 3.05 3ii0C1 ALA 254 H 0.43 0.74 0.23 -0.55 8.40 9.25 3ii0C1 ALA 254 HA 0.19 0.13 0.70 -0.75 4.34 4.61 3ii0C1 ALA 254 HB3 0.30 0.00 0.07 -0.04 1.41 1.74 3ii0C1 GLN 255 H 0.07 0.89 0.47 -0.55 8.47 9.36 3ii0C1 GLN 255 HA -0.06 0.31 1.07 -0.75 4.36 4.92 3ii0C1 GLN 255 HB2 -0.06 -0.12 0.07 -0.04 2.15 2.00 3ii0C1 GLN 255 HB3 -0.27 0.02 0.05 -0.04 2.02 1.77 3ii0C1 GLN 255 HG2 -0.00 -0.03 -0.12 -0.04 2.40 2.20 3ii0C1 GLN 255 HG3 0.03 0.20 -0.04 -0.04 2.39 2.54 3ii0C1 GLN 255 HE21 0.11 0.37 -0.17 -0.04 6.97 7.24 3ii0C1 GLN 255 HE22 0.02 -0.05 -0.09 -0.04 7.69 7.53 3ii0C1 SER 256 H -0.23 0.55 0.39 -0.55 8.46 8.63 3ii0C1 SER 256 HA -0.11 0.19 1.00 -0.75 4.49 4.82 3ii0C1 SER 256 HB2 -0.12 -0.14 0.15 -0.04 3.95 3.80 3ii0C1 SER 256 HB3 -0.23 0.08 0.26 -0.04 3.93 4.00 3ii0C1 PHE 257 H 0.07 0.69 0.32 -0.55 8.34 8.87 3ii0C1 PHE 257 HA 0.14 0.17 0.84 -0.75 4.62 5.01 3ii0C1 PHE 257 HB2 -0.09 0.08 0.02 -0.04 3.15 3.12 3ii0C1 PHE 257 HB3 -0.07 -0.02 0.10 -0.04 3.06 3.03 3ii0C1 PHE 257 HD2 0.21 0.03 -0.23 -0.04 7.28 7.24 3ii0C1 PHE 257 HE2 0.09 0.03 -0.22 -0.04 7.38 7.25 3ii0C1 PHE 257 HZ -0.06 0.04 -0.12 -0.04 7.32 7.14 3ii0C1 SER 258 H -0.06 0.08 0.02 -0.55 8.46 7.95 3ii0C1 SER 258 HA -0.14 0.02 0.16 -0.75 4.49 3.78 3ii0C1 SER 258 HB2 -0.15 0.01 0.13 -0.04 3.95 3.90 3ii0C1 SER 258 HB3 -0.18 0.09 0.04 -0.04 3.93 3.84 3ii0C1 LYS 259 H -0.14 0.10 -0.20 -0.55 8.42 7.63 3ii0C1 LYS 259 HA -0.31 0.22 0.74 -0.75 4.32 4.22 3ii0C1 LYS 259 HB2 -0.25 0.11 0.19 -0.04 1.87 1.89 3ii0C1 LYS 259 HB3 -0.21 0.06 -0.02 -0.04 1.79 1.58 3ii0C1 LYS 259 HG2 -0.16 0.04 0.02 -0.04 1.46 1.31 3ii0C1 LYS 259 HG3 -0.01 0.07 0.01 -0.04 1.46 1.49 3ii0C1 LYS 259 HD2 -0.29 -0.27 -0.01 -0.04 1.69 1.08 3ii0C1 LYS 259 HD3 -0.68 0.05 0.04 -0.04 1.68 1.05 3ii0C1 LYS 259 HE2 0.33 0.18 0.03 -0.04 2.99 3.48 3ii0C1 LYS 259 HE3 0.04 -0.12 -0.01 -0.04 2.99 2.87 3ii0C1 ASN 260 H 0.25 0.09 -0.00 -0.55 8.53 8.32 3ii0C1 ASN 260 HA 0.30 0.17 0.45 -0.75 4.76 4.92 3ii0C1 ASN 260 HB2 0.35 0.03 0.08 -0.04 2.88 3.30 3ii0C1 ASN 260 HB3 0.29 0.10 0.03 -0.04 2.79 3.17 3ii0C1 ASN 260 HD21 0.22 -0.00 0.00 -0.04 7.03 7.21 3ii0C1 ASN 260 HD22 0.29 0.41 0.04 -0.04 7.74 8.44 3ii0C1 PHE 261 H 0.39 0.10 -0.38 -0.55 8.34 7.90 3ii0C1 PHE 261 HA 0.28 0.21 0.83 -0.75 4.62 5.18 3ii0C1 PHE 261 HB2 0.10 0.15 0.08 -0.04 3.15 3.44 3ii0C1 PHE 261 HB3 -0.02 -0.03 0.00 -0.04 3.06 2.97 3ii0C1 PHE 261 HD2 0.04 -0.06 -0.10 -0.04 7.28 7.12 3ii0C1 PHE 261 HE2 -0.77 0.02 -0.09 -0.04 7.38 6.51 3ii0C1 PHE 261 HZ -1.25 0.04 -0.05 -0.04 7.32 6.01 3ii0C1 GLY 262 H 0.09 0.09 -0.38 -0.55 8.43 7.68 3ii0C1 GLY 262 HA2 -0.02 0.09 0.46 -0.51 4.01 4.03 3ii0C1 GLY 262 HA3 0.17 0.12 0.55 -0.51 4.01 4.34 3ii0C1 LEU 263 H -0.05 0.18 -0.09 -0.55 8.37 7.86 3ii0C1 LEU 263 HA 0.08 0.25 0.51 -0.75 4.35 4.43 3ii0C1 LEU 263 HB2 0.03 0.05 -0.07 -0.04 1.64 1.61 3ii0C1 LEU 263 HB3 -0.02 -0.14 0.09 -0.04 1.64 1.54 3ii0C1 LEU 263 HG 0.14 0.17 -0.30 -0.04 1.64 1.60 3ii0C1 LEU 263 HD13 -0.14 -0.02 -0.04 -0.04 0.93 0.69 3ii0C1 LEU 263 HD23 0.02 0.02 -0.08 -0.04 0.89 0.80 3ii0C1 TYR 264 H -0.16 0.35 -0.37 -0.55 8.29 7.56 3ii0C1 TYR 264 HA 0.06 -0.11 0.41 -0.75 4.56 4.16 3ii0C1 TYR 264 HB2 0.06 0.03 0.08 -0.04 3.06 3.20 3ii0C1 TYR 264 HB3 0.08 0.01 0.02 -0.04 2.98 3.05 3ii0C1 TYR 264 HD2 0.10 0.03 -0.02 -0.04 7.15 7.22 3ii0C1 TYR 264 HE2 0.13 0.15 0.12 -0.04 6.85 7.21 3ii0C1 ASN 265 H 0.17 0.17 -0.19 -0.55 8.53 8.13 3ii0C1 ASN 265 HA 0.05 0.16 0.46 -0.75 4.76 4.68 3ii0C1 ASN 265 HB2 0.02 0.06 0.15 -0.04 2.88 3.06 3ii0C1 ASN 265 HB3 0.05 -0.00 0.04 -0.04 2.79 2.84 3ii0C1 ASN 265 HD21 0.03 0.02 -0.03 -0.04 7.03 7.01 3ii0C1 ASN 265 HD22 0.02 0.03 -0.00 -0.04 7.74 7.75 3ii0C1 GLU 266 H 0.02 0.56 -0.26 -0.55 8.60 8.37 3ii0C1 GLU 266 HA -0.04 0.27 0.97 -0.75 4.29 4.74 3ii0C1 GLU 266 HB2 -0.05 0.03 0.06 -0.04 2.09 2.09 3ii0C1 GLU 266 HB3 -0.09 -0.18 0.12 -0.04 1.99 1.80 3ii0C1 GLU 266 HG2 -0.00 -0.03 -0.19 -0.04 2.34 2.07 3ii0C1 GLU 266 HG3 -0.04 -0.00 -0.07 -0.04 2.34 2.19 3ii0C1 ARG 267 H -0.02 0.29 -0.02 -0.55 8.46 8.17 3ii0C1 ARG 267 HA -0.03 -0.04 0.29 -0.75 4.34 3.81 3ii0C1 ARG 267 HB2 -0.14 0.20 -0.08 -0.04 1.90 1.84 3ii0C1 ARG 267 HB3 -0.13 -0.11 0.05 -0.04 1.80 1.57 3ii0C1 ARG 267 HG2 -0.05 0.07 -0.47 -0.04 1.67 1.18 3ii0C1 ARG 267 HG3 -0.07 0.06 -0.11 -0.04 1.67 1.51 3ii0C1 ARG 267 HD2 0.01 0.21 0.11 -0.04 3.22 3.51 3ii0C1 ARG 267 HD3 -0.00 0.04 -0.03 -0.04 3.22 3.19 3ii0C1 VAL 268 H -0.02 0.09 0.02 -0.55 8.24 7.78 3ii0C1 VAL 268 HA -0.15 0.38 0.88 -0.75 4.13 4.48 3ii0C1 VAL 268 HB 0.03 -0.16 0.03 -0.04 2.12 1.99 3ii0C1 VAL 268 HG13 -0.35 0.04 -0.23 -0.04 0.97 0.38 3ii0C1 VAL 268 HG23 -0.18 0.03 -0.29 -0.04 0.95 0.47 3ii0C1 GLY 269 H 0.05 0.76 0.36 -0.55 8.43 9.05 3ii0C1 GLY 269 HA2 0.29 0.05 0.60 -0.51 4.01 4.44 3ii0C1 GLY 269 HA3 0.13 0.06 0.08 -0.51 4.01 3.77 3ii0C1 ASN 270 H 0.16 0.56 0.25 -0.55 8.53 8.94 3ii0C1 ASN 270 HA 0.21 0.28 0.71 -0.75 4.76 5.20 3ii0C1 ASN 270 HB2 0.15 -0.01 -0.35 -0.04 2.88 2.63 3ii0C1 ASN 270 HB3 0.10 -0.06 -0.09 -0.04 2.79 2.71 3ii0C1 ASN 270 HD21 -0.09 0.08 -0.13 -0.04 7.03 6.84 3ii0C1 ASN 270 HD22 -0.04 -0.06 -0.29 -0.04 7.74 7.31 3ii0C1 LEU 271 H 0.08 0.78 0.22 -0.55 8.37 8.91 3ii0C1 LEU 271 HA 0.06 0.13 0.86 -0.75 4.35 4.65 3ii0C1 LEU 271 HB2 0.07 -0.03 0.08 -0.04 1.64 1.72 3ii0C1 LEU 271 HB3 -0.04 -0.01 0.17 -0.04 1.64 1.72 3ii0C1 LEU 271 HG -0.35 0.04 -0.31 -0.04 1.64 0.99 3ii0C1 LEU 271 HD13 0.03 0.04 -0.13 -0.04 0.93 0.82 3ii0C1 LEU 271 HD23 -0.40 0.00 -0.09 -0.04 0.89 0.37 3ii0C1 THR 272 H 0.00 0.65 0.21 -0.55 8.28 8.60 3ii0C1 THR 272 HA -0.09 0.25 1.01 -0.75 4.39 4.80 3ii0C1 THR 272 HB -0.03 0.01 0.15 -0.04 4.32 4.40 3ii0C1 THR 272 HG23 -0.11 0.01 -0.19 -0.04 1.22 0.89 3ii0C1 VAL 273 H -0.13 0.80 0.29 -0.55 8.24 8.65 3ii0C1 VAL 273 HA -0.08 0.25 1.03 -0.75 4.13 4.58 3ii0C1 VAL 273 HB -0.15 -0.13 0.06 -0.04 2.12 1.86 3ii0C1 VAL 273 HG13 0.03 0.01 -0.22 -0.04 0.97 0.76 3ii0C1 VAL 273 HG23 -0.58 0.01 -0.27 -0.04 0.95 0.06 3ii0C1 VAL 274 H -0.21 0.76 0.30 -0.55 8.24 8.54 3ii0C1 VAL 274 HA -0.14 0.12 0.96 -0.75 4.13 4.31 3ii0C1 VAL 274 HB -0.78 -0.06 0.19 -0.04 2.12 1.42 3ii0C1 VAL 274 HG13 -0.07 0.03 -0.03 -0.04 0.97 0.86 3ii0C1 VAL 274 HG23 -0.55 -0.03 -0.19 -0.04 0.95 0.14 3ii0C1 GLY 275 H -0.03 0.72 0.29 -0.55 8.43 8.86 3ii0C1 GLY 275 HA2 0.06 0.17 0.85 -0.51 4.01 4.59 3ii0C1 GLY 275 HA3 0.03 -0.12 0.27 -0.51 4.01 3.67 3ii0C1 LYS 276 H 0.04 0.00 0.18 -0.55 8.42 8.10 3ii0C1 LYS 276 HA 0.03 0.25 0.53 -0.75 4.32 4.38 3ii0C1 LYS 276 HB2 0.06 0.05 0.07 -0.04 1.87 2.01 3ii0C1 LYS 276 HB3 0.04 -0.11 0.12 -0.04 1.79 1.81 3ii0C1 LYS 276 HG2 0.03 -0.03 -0.12 -0.04 1.46 1.29 3ii0C1 LYS 276 HG3 0.03 0.08 0.06 -0.04 1.46 1.59 3ii0C1 LYS 276 HD2 0.05 0.06 0.01 -0.04 1.69 1.77 3ii0C1 LYS 276 HD3 0.04 -0.05 0.01 -0.04 1.68 1.64 3ii0C1 LYS 276 HE2 0.02 -0.06 -0.02 -0.04 2.99 2.89 3ii0C1 LYS 276 HE3 0.02 0.03 -0.00 -0.04 2.99 3.00 3ii0C1 GLU 277 H 0.02 0.07 0.17 -0.55 8.60 8.30 3ii0C1 GLU 277 HA 0.00 0.30 0.52 -0.75 4.29 4.36 3ii0C1 GLU 277 HB2 0.00 0.00 0.14 -0.04 2.09 2.19 3ii0C1 GLU 277 HB3 0.01 0.24 -0.01 -0.04 1.99 2.19 3ii0C1 PRO 278 HA -0.01 0.17 0.56 -0.51 4.44 4.64 3ii0C1 PRO 278 HB2 -0.01 -0.06 0.09 -0.04 2.28 2.26 3ii0C1 PRO 278 HB3 -0.01 0.05 0.15 -0.04 2.02 2.17 3ii0C1 PRO 278 HG2 -0.01 -0.00 0.13 -0.04 2.03 2.10 3ii0C1 PRO 278 HG3 -0.01 0.27 0.17 -0.04 2.03 2.41 3ii0C1 PRO 278 HD2 -0.00 0.05 0.26 -0.04 3.68 3.94 3ii0C1 PRO 278 HD3 -0.01 0.33 0.12 -0.04 3.65 4.05 3ii0C1 GLU 279 H -0.01 0.17 -0.11 -0.55 8.60 8.11 3ii0C1 GLU 279 HA -0.01 0.10 0.36 -0.75 4.29 3.98 3ii0C1 GLU 279 HB2 -0.01 0.02 0.01 -0.04 2.09 2.07 3ii0C1 GLU 279 HB3 -0.01 0.03 0.06 -0.04 1.99 2.04 3ii0C1 GLU 279 HG2 -0.01 0.05 0.03 -0.04 2.34 2.37 3ii0C1 GLU 279 HG3 -0.01 -0.00 0.02 -0.04 2.34 2.31 3ii0C1 SER 280 H 0.00 0.16 -0.26 -0.55 8.46 7.82 3ii0C1 SER 280 HA -0.00 0.11 0.57 -0.75 4.49 4.42 3ii0C1 SER 280 HB2 0.04 0.06 0.06 -0.04 3.95 4.07 3ii0C1 SER 280 HB3 0.02 0.05 0.06 -0.04 3.93 4.02 3ii0C1 ILE 281 H -0.00 0.47 -0.05 -0.55 8.25 8.12 3ii0C1 ILE 281 HA -0.02 0.02 0.46 -0.75 4.18 3.88 3ii0C1 ILE 281 HB -0.02 0.18 0.09 -0.04 1.89 2.09 3ii0C1 ILE 281 HG12 -0.01 0.05 -0.13 -0.04 1.49 1.36 3ii0C1 ILE 281 HG13 -0.03 -0.02 -0.64 -0.04 1.21 0.48 3ii0C1 ILE 281 HG23 -0.05 0.01 -0.32 -0.04 0.93 0.54 3ii0C1 ILE 281 HD13 -0.03 -0.00 -0.19 -0.04 0.88 0.61 3ii0C1 LEU 282 H -0.02 0.52 -0.20 -0.55 8.37 8.13 3ii0C1 LEU 282 HA -0.03 0.02 0.39 -0.75 4.35 3.97 3ii0C1 LEU 282 HB2 -0.02 0.13 0.14 -0.04 1.64 1.85 3ii0C1 LEU 282 HB3 -0.03 -0.03 -0.07 -0.04 1.64 1.48 3ii0C1 LEU 282 HG -0.02 -0.01 0.01 -0.04 1.64 1.58 3ii0C1 LEU 282 HD13 -0.02 -0.01 0.02 -0.04 0.93 0.87 3ii0C1 LEU 282 HD23 -0.02 0.06 0.00 -0.04 0.89 0.89 3ii0C1 GLN 283 H -0.03 0.31 -0.32 -0.55 8.47 7.89 3ii0C1 GLN 283 HA -0.06 0.00 0.53 -0.75 4.36 4.07 3ii0C1 GLN 283 HB2 -0.03 0.10 0.22 -0.04 2.15 2.40 3ii0C1 GLN 283 HB3 -0.08 0.00 0.02 -0.04 2.02 1.91 3ii0C1 GLN 283 HG2 -0.07 -0.04 0.04 -0.04 2.40 2.30 3ii0C1 GLN 283 HG3 -0.04 0.15 0.09 -0.04 2.39 2.56 3ii0C1 GLN 283 HE21 -0.04 -0.01 -0.01 -0.04 6.97 6.87 3ii0C1 GLN 283 HE22 -0.05 -0.01 -0.00 -0.04 7.69 7.58 3ii0C1 VAL 284 H -0.02 0.64 -0.03 -0.55 8.24 8.28 3ii0C1 VAL 284 HA 0.06 0.06 0.41 -0.75 4.13 3.90 3ii0C1 VAL 284 HB -0.09 0.06 0.17 -0.04 2.12 2.22 3ii0C1 VAL 284 HG13 -0.49 -0.01 -0.19 -0.04 0.97 0.24 3ii0C1 VAL 284 HG23 0.08 0.03 -0.01 -0.04 0.95 1.02 3ii0C1 LEU 285 H -0.07 0.67 -0.12 -0.55 8.37 8.31 3ii0C1 LEU 285 HA -0.08 -0.02 0.38 -0.75 4.35 3.88 3ii0C1 LEU 285 HB2 -0.04 0.11 0.11 -0.04 1.64 1.78 3ii0C1 LEU 285 HB3 -0.04 -0.05 0.00 -0.04 1.64 1.51 3ii0C1 LEU 285 HG -0.07 0.15 0.00 -0.04 1.64 1.68 3ii0C1 LEU 285 HD13 -0.04 -0.03 -0.03 -0.04 0.93 0.79 3ii0C1 LEU 285 HD23 -0.08 -0.04 -0.09 -0.04 0.89 0.63 3ii0C1 SER 286 H -0.04 0.50 -0.19 -0.55 8.46 8.19 3ii0C1 SER 286 HA -0.02 -0.00 0.50 -0.75 4.49 4.22 3ii0C1 SER 286 HB2 -0.03 -0.03 0.08 -0.04 3.95 3.93 3ii0C1 SER 286 HB3 -0.03 -0.03 0.12 -0.04 3.93 3.96 3ii0C1 GLN 287 H 0.00 0.44 -0.21 -0.55 8.47 8.16 3ii0C1 GLN 287 HA 0.09 0.06 0.63 -0.75 4.36 4.38 3ii0C1 GLN 287 HB2 0.28 0.11 0.15 -0.04 2.15 2.65 3ii0C1 GLN 287 HB3 0.38 -0.02 0.03 -0.04 2.02 2.37 3ii0C1 GLN 287 HG2 -0.24 0.11 0.05 -0.04 2.40 2.28 3ii0C1 GLN 287 HG3 -0.93 0.01 0.01 -0.04 2.39 1.44 3ii0C1 GLN 287 HE21 -0.10 -0.01 -0.04 -0.04 6.97 6.78 3ii0C1 GLN 287 HE22 -0.23 -0.00 -0.04 -0.04 7.69 7.37 3ii0C1 MET 288 H 0.04 0.57 -0.01 -0.55 8.47 8.52 3ii0C1 MET 288 HA 0.08 0.04 0.45 -0.75 4.52 4.34 3ii0C1 MET 288 HB2 -0.05 0.10 0.10 -0.04 2.15 2.26 3ii0C1 MET 288 HB3 -0.04 -0.06 -0.04 -0.04 2.03 1.84 3ii0C1 MET 288 HG2 -0.19 0.24 -0.04 -0.04 2.63 2.60 3ii0C1 MET 288 HG3 -0.20 -0.07 -0.13 -0.04 2.56 2.12 3ii0C1 MET 288 HE3 -0.70 -0.01 -0.11 -0.04 2.10 1.24 3ii0C1 GLU 289 H -0.00 0.54 -0.22 -0.55 8.60 8.38 3ii0C1 GLU 289 HA -0.03 -0.01 0.41 -0.75 4.29 3.91 3ii0C1 GLU 289 HB2 -0.01 0.24 0.15 -0.04 2.09 2.43 3ii0C1 GLU 289 HB3 -0.02 -0.05 0.03 -0.04 1.99 1.91 3ii0C1 GLU 289 HG2 -0.01 -0.14 0.02 -0.04 2.34 2.18 3ii0C1 GLU 289 HG3 -0.01 0.31 0.08 -0.04 2.34 2.67 3ii0C1 LYS 290 H 0.03 0.34 -0.32 -0.55 8.42 7.92 3ii0C1 LYS 290 HA -0.01 0.02 0.46 -0.75 4.32 4.03 3ii0C1 LYS 290 HB2 0.09 0.16 0.18 -0.04 1.87 2.26 3ii0C1 LYS 290 HB3 0.05 -0.02 0.04 -0.04 1.79 1.82 3ii0C1 LYS 290 HG2 0.02 -0.05 0.03 -0.04 1.46 1.42 3ii0C1 LYS 290 HG3 0.02 0.11 0.09 -0.04 1.46 1.63 3ii0C1 LYS 290 HD2 0.06 0.01 0.01 -0.04 1.69 1.73 3ii0C1 LYS 290 HD3 0.08 0.00 0.02 -0.04 1.68 1.74 3ii0C1 ILE 291 H 0.03 0.38 -0.15 -0.55 8.25 7.96 3ii0C1 ILE 291 HA -0.05 0.07 0.40 -0.75 4.18 3.85 3ii0C1 ILE 291 HB -0.01 0.04 0.14 -0.04 1.89 2.02 3ii0C1 ILE 291 HG12 0.06 0.01 -0.05 -0.04 1.49 1.47 3ii0C1 ILE 291 HG13 0.15 0.15 0.04 -0.04 1.21 1.51 3ii0C1 ILE 291 HG23 -0.07 -0.01 -0.12 -0.04 0.93 0.69 3ii0C1 ILE 291 HD13 0.24 -0.02 -0.15 -0.04 0.88 0.92 3ii0C1 VAL 292 H -0.15 0.74 -0.04 -0.55 8.24 8.24 3ii0C1 VAL 292 HA -0.77 -0.04 0.43 -0.75 4.13 3.00 3ii0C1 VAL 292 HB -0.15 0.09 0.10 -0.04 2.12 2.12 3ii0C1 VAL 292 HG13 -0.32 0.06 -0.26 -0.04 0.97 0.41 3ii0C1 VAL 292 HG23 -0.17 0.02 -0.03 -0.04 0.95 0.73 3ii0C1 ARG 293 H -0.13 0.55 -0.25 -0.55 8.46 8.09 3ii0C1 ARG 293 HA -0.11 0.01 0.33 -0.75 4.34 3.82 3ii0C1 ARG 293 HB2 -0.06 0.00 0.17 -0.04 1.90 1.97 3ii0C1 ARG 293 HB3 -0.06 0.13 0.18 -0.04 1.80 2.01 3ii0C1 ARG 293 HG2 -0.04 -0.05 0.01 -0.04 1.67 1.55 3ii0C1 ARG 293 HG3 -0.05 0.02 -0.23 -0.04 1.67 1.37 3ii0C1 ARG 293 HD2 -0.06 -0.04 0.15 -0.04 3.22 3.23 3ii0C1 ARG 293 HD3 -0.07 0.03 0.10 -0.04 3.22 3.24 3ii0C1 ILE 294 H -0.12 0.36 -0.37 -0.55 8.25 7.57 3ii0C1 ILE 294 HA -0.05 0.12 0.71 -0.75 4.18 4.20 3ii0C1 ILE 294 HB -0.04 -0.04 0.17 -0.04 1.89 1.93 3ii0C1 ILE 294 HG12 -0.08 0.16 0.13 -0.04 1.49 1.65 3ii0C1 ILE 294 HG13 -0.07 -0.02 -0.10 -0.04 1.21 0.98 3ii0C1 ILE 294 HG23 -0.03 -0.00 0.00 -0.04 0.93 0.85 3ii0C1 ILE 294 HD13 -0.03 -0.03 -0.02 -0.04 0.88 0.76 3ii0C1 THR 295 H -0.24 0.37 -0.32 -0.55 8.28 7.53 3ii0C1 THR 295 HA -0.04 0.16 0.90 -0.75 4.39 4.65 3ii0C1 THR 295 HB -0.77 -0.09 0.17 -0.04 4.32 3.58 3ii0C1 THR 295 HG23 0.04 -0.03 -0.04 -0.04 1.22 1.14 3ii0C1 TRP 296 H -0.44 0.37 0.21 -0.55 7.97 7.56 3ii0C1 TRP 296 HA 0.01 0.22 0.89 -0.75 4.62 4.99 3ii0C1 TRP 296 HB2 0.02 0.01 0.15 -0.04 3.23 3.36 3ii0C1 TRP 296 HB3 0.02 -0.01 -0.14 -0.04 3.23 3.07 3ii0C1 TRP 296 HD1 0.01 0.03 -0.58 -0.04 7.22 6.64 3ii0C1 TRP 296 HE1 0.02 0.11 -0.19 -0.04 10.20 10.09 3ii0C1 TRP 296 HE3 0.03 0.07 -0.10 -0.04 7.59 7.55 3ii0C1 TRP 296 HZ2 0.04 0.16 0.03 -0.04 7.44 7.63 3ii0C1 TRP 296 HZ3 0.05 0.00 0.01 -0.04 7.13 7.15 3ii0C1 TRP 296 HH2 0.06 -0.01 -0.07 -0.04 7.19 7.12 3ii0C1 SER 297 H -0.09 0.29 0.04 -0.55 8.46 8.16 3ii0C1 SER 297 HA -0.05 0.05 0.45 -0.75 4.49 4.18 3ii0C1 SER 297 HB2 0.02 0.01 -0.11 -0.04 3.95 3.83 3ii0C1 SER 297 HB3 0.04 0.08 0.30 -0.04 3.93 4.31 3ii0C1 ASN 298 H 0.28 0.73 -0.02 -0.55 8.53 8.97 3ii0C1 ASN 298 HA 0.22 0.17 0.37 -0.75 4.76 4.77 3ii0C1 ASN 298 HB2 0.10 0.07 -0.09 -0.04 2.88 2.91 3ii0C1 ASN 298 HB3 0.02 0.01 -0.05 -0.04 2.79 2.73 3ii0C1 ASN 298 HD21 -0.60 -0.04 -0.10 -0.04 7.03 6.25 3ii0C1 ASN 298 HD22 -0.22 0.08 -0.38 -0.04 7.74 7.19 3ii0C1 PRO 299 HA -0.14 0.17 0.45 -0.51 4.44 4.41 3ii0C1 PRO 299 HB2 -0.11 0.03 -0.03 -0.04 2.28 2.13 3ii0C1 PRO 299 HB3 0.06 0.05 -0.14 -0.04 2.02 1.95 3ii0C1 PRO 299 HG2 0.03 -0.12 -0.08 -0.04 2.03 1.81 3ii0C1 PRO 299 HG3 0.13 0.04 -0.15 -0.04 2.03 2.00 3ii0C1 PRO 299 HD2 0.11 0.09 0.02 -0.04 3.68 3.87 3ii0C1 PRO 299 HD3 0.22 0.41 0.09 -0.04 3.65 4.34 3ii0C1 PRO 300 HA -0.03 0.14 0.65 -0.51 4.44 4.68 3ii0C1 PRO 300 HB2 -0.10 -0.14 0.01 -0.04 2.28 2.01 3ii0C1 PRO 300 HB3 -0.08 0.10 0.13 -0.04 2.02 2.13 3ii0C1 PRO 300 HG2 -0.19 0.01 0.14 -0.04 2.03 1.95 3ii0C1 PRO 300 HG3 -0.18 0.08 0.11 -0.04 2.03 2.00 3ii0C1 PRO 300 HD2 -0.30 0.07 0.20 -0.04 3.68 3.60 3ii0C1 PRO 300 HD3 -0.24 0.22 0.17 -0.04 3.65 3.77 3ii0C1 ALA 301 H -0.03 0.19 0.19 -0.55 8.40 8.20 3ii0C1 ALA 301 HA -0.10 0.09 0.38 -0.75 4.34 3.95 3ii0C1 ALA 301 HB3 -0.02 0.05 0.08 -0.04 1.41 1.48 3ii0C1 GLN 302 H -0.07 0.14 0.03 -0.55 8.47 8.03 3ii0C1 GLN 302 HA -0.07 0.10 0.08 -0.75 4.36 3.72 3ii0C1 GLN 302 HB2 -0.03 0.07 0.11 -0.04 2.15 2.26 3ii0C1 GLN 302 HB3 -0.06 -0.01 0.13 -0.04 2.02 2.04 3ii0C1 GLN 302 HG2 -0.04 0.05 -0.05 -0.04 2.40 2.33 3ii0C1 GLN 302 HG3 -0.06 -0.05 -0.31 -0.04 2.39 1.93 3ii0C1 GLN 302 HE21 -0.02 0.07 -0.02 -0.04 6.97 6.96 3ii0C1 GLN 302 HE22 -0.03 -0.02 -0.04 -0.04 7.69 7.56 3ii0C1 GLY 303 H -0.14 0.21 -0.07 -0.55 8.43 7.88 3ii0C1 GLY 303 HA2 -0.16 0.07 0.41 -0.51 4.01 3.81 3ii0C1 GLY 303 HA3 -0.19 0.08 0.21 -0.51 4.01 3.60 3ii0C1 ALA 304 H -0.35 0.24 -0.22 -0.55 8.40 7.53 3ii0C1 ALA 304 HA -0.87 -0.03 0.43 -0.75 4.34 3.12 3ii0C1 ALA 304 HB3 -0.58 0.04 0.10 -0.04 1.41 0.94 3ii0C1 ARG 305 H -0.19 0.75 -0.11 -0.55 8.46 8.36 3ii0C1 ARG 305 HA -0.11 -0.06 0.37 -0.75 4.34 3.79 3ii0C1 ARG 305 HB2 -0.10 0.16 0.06 -0.04 1.90 1.98 3ii0C1 ARG 305 HB3 -0.08 -0.02 -0.05 -0.04 1.80 1.61 3ii0C1 ARG 305 HG2 -0.07 -0.08 0.01 -0.04 1.67 1.50 3ii0C1 ARG 305 HG3 -0.09 0.11 0.03 -0.04 1.67 1.68 3ii0C1 ARG 305 HD2 -0.07 -0.03 -0.13 -0.04 3.22 2.95 3ii0C1 ARG 305 HD3 -0.07 0.02 -0.03 -0.04 3.22 3.10 3ii0C1 ILE 306 H -0.17 0.44 -0.18 -0.55 8.25 7.78 3ii0C1 ILE 306 HA -0.10 0.05 0.41 -0.75 4.18 3.79 3ii0C1 ILE 306 HB -0.20 0.11 0.15 -0.04 1.89 1.91 3ii0C1 ILE 306 HG12 -0.06 -0.03 -0.04 -0.04 1.49 1.31 3ii0C1 ILE 306 HG13 -0.10 0.16 0.08 -0.04 1.21 1.31 3ii0C1 ILE 306 HG23 -0.04 -0.02 -0.12 -0.04 0.93 0.71 3ii0C1 ILE 306 HD13 -0.06 -0.03 -0.04 -0.04 0.88 0.71 3ii0C1 VAL 307 H -0.39 0.52 -0.11 -0.55 8.24 7.72 3ii0C1 VAL 307 HA -0.88 0.03 0.40 -0.75 4.13 2.92 3ii0C1 VAL 307 HB -0.46 0.07 0.12 -0.04 2.12 1.81 3ii0C1 VAL 307 HG13 -1.04 -0.01 -0.16 -0.04 0.97 -0.29 3ii0C1 VAL 307 HG23 -1.29 0.02 -0.03 -0.04 0.95 -0.39 3ii0C1 ALA 308 H -0.15 0.72 -0.05 -0.55 8.40 8.38 3ii0C1 ALA 308 HA -0.08 -0.00 0.31 -0.75 4.34 3.82 3ii0C1 ALA 308 HB3 -0.01 -0.01 -0.03 -0.04 1.41 1.32 3ii0C1 SER 309 H -0.09 0.55 -0.27 -0.55 8.46 8.10 3ii0C1 SER 309 HA -0.03 0.02 0.31 -0.75 4.49 4.04 3ii0C1 SER 309 HB2 -0.04 0.05 0.07 -0.04 3.95 3.98 3ii0C1 SER 309 HB3 -0.02 -0.05 0.02 -0.04 3.93 3.84 3ii0C1 THR 310 H -0.07 0.45 -0.25 -0.55 8.28 7.87 3ii0C1 THR 310 HA 0.04 -0.03 0.37 -0.75 4.39 4.02 3ii0C1 THR 310 HB -0.00 0.08 0.14 -0.04 4.32 4.49 3ii0C1 THR 310 HG23 -0.07 -0.03 -0.20 -0.04 1.22 0.88 3ii0C1 LEU 311 H -0.06 0.73 -0.01 -0.55 8.37 8.48 3ii0C1 LEU 311 HA 0.32 0.02 0.29 -0.75 4.35 4.23 3ii0C1 LEU 311 HB2 -0.06 0.01 0.01 -0.04 1.64 1.55 3ii0C1 LEU 311 HB3 0.08 -0.02 -0.02 -0.04 1.64 1.64 3ii0C1 LEU 311 HG -0.23 0.11 -0.00 -0.04 1.64 1.48 3ii0C1 LEU 311 HD13 -0.15 -0.01 -0.23 -0.04 0.93 0.49 3ii0C1 LEU 311 HD23 -0.05 -0.02 -0.09 -0.04 0.89 0.69 3ii0C1 SER 312 H -0.00 0.49 -0.28 -0.55 8.46 8.12 3ii0C1 SER 312 HA -0.02 0.05 0.38 -0.75 4.49 4.15 3ii0C1 SER 312 HB2 -0.02 -0.08 0.10 -0.04 3.95 3.91 3ii0C1 SER 312 HB3 -0.03 -0.07 0.07 -0.04 3.93 3.86 3ii0C1 ASN 313 H 0.07 0.35 -0.52 -0.55 8.53 7.88 3ii0C1 ASN 313 HA 0.02 0.21 0.92 -0.75 4.76 5.16 3ii0C1 ASN 313 HB2 0.03 0.10 0.03 -0.04 2.88 3.00 3ii0C1 ASN 313 HB3 0.06 0.04 0.20 -0.04 2.79 3.05 3ii0C1 ASN 313 HD21 0.02 -0.02 0.04 -0.04 7.03 7.03 3ii0C1 ASN 313 HD22 0.02 0.10 0.06 -0.04 7.74 7.87 3ii0C1 PRO 314 HA 0.07 0.10 0.43 -0.51 4.44 4.53 3ii0C1 PRO 314 HB2 0.04 -0.02 0.09 -0.04 2.28 2.35 3ii0C1 PRO 314 HB3 0.03 0.04 0.08 -0.04 2.02 2.13 3ii0C1 PRO 314 HG2 0.00 0.05 0.10 -0.04 2.03 2.14 3ii0C1 PRO 314 HG3 -0.02 0.07 0.06 -0.04 2.03 2.11 3ii0C1 PRO 314 HD2 0.01 0.10 0.26 -0.04 3.68 4.01 3ii0C1 PRO 314 HD3 -0.01 0.30 0.02 -0.04 3.65 3.93 3ii0C1 GLU 315 H 0.07 0.15 -0.12 -0.55 8.60 8.15 3ii0C1 GLU 315 HA 0.08 0.10 0.45 -0.75 4.29 4.17 3ii0C1 GLU 315 HB2 0.04 0.04 0.09 -0.04 2.09 2.23 3ii0C1 GLU 315 HB3 0.05 0.00 0.07 -0.04 1.99 2.08 3ii0C1 LEU 316 H 0.09 0.15 -0.10 -0.55 8.37 7.96 3ii0C1 LEU 316 HA 0.08 -0.00 0.46 -0.75 4.35 4.13 3ii0C1 LEU 316 HB2 0.09 0.24 0.21 -0.04 1.64 2.13 3ii0C1 LEU 316 HB3 0.07 -0.06 0.08 -0.04 1.64 1.69 3ii0C1 LEU 316 HG 0.05 -0.08 0.04 -0.04 1.64 1.61 3ii0C1 LEU 316 HD13 0.02 0.05 -0.07 -0.04 0.93 0.89 3ii0C1 LEU 316 HD23 0.03 -0.01 -0.02 -0.04 0.89 0.86 3ii0C1 PHE 317 H 0.27 0.62 -0.13 -0.55 8.34 8.54 3ii0C1 PHE 317 HA 0.26 -0.04 0.35 -0.75 4.62 4.44 3ii0C1 PHE 317 HB2 0.10 0.23 0.10 -0.04 3.15 3.54 3ii0C1 PHE 317 HB3 0.10 0.05 0.13 -0.04 3.06 3.30 3ii0C1 PHE 317 HD2 0.14 0.04 -0.10 -0.04 7.28 7.32 3ii0C1 PHE 317 HE2 0.20 -0.03 -0.04 -0.04 7.38 7.48 3ii0C1 PHE 317 HZ 0.17 -0.07 -0.02 -0.04 7.32 7.35 3ii0C1 GLU 318 H 0.26 0.54 -0.13 -0.55 8.60 8.72 3ii0C1 GLU 318 HA 0.07 -0.01 0.51 -0.75 4.29 4.10 3ii0C1 GLU 318 HB2 0.16 0.06 0.17 -0.04 2.09 2.44 3ii0C1 GLU 318 HB3 0.09 0.09 0.20 -0.04 1.99 2.34 3ii0C1 GLU 318 HG2 0.03 -0.03 -0.14 -0.04 2.34 2.16 3ii0C1 GLU 318 HG3 0.06 -0.04 0.07 -0.04 2.34 2.38 3ii0C1 GLU 319 H 0.08 0.58 -0.04 -0.55 8.60 8.67 3ii0C1 GLU 319 HA 0.01 0.02 0.45 -0.75 4.29 4.02 3ii0C1 GLU 319 HB2 0.04 0.04 0.13 -0.04 2.09 2.26 3ii0C1 GLU 319 HB3 0.06 0.10 0.19 -0.04 1.99 2.30 3ii0C1 GLU 319 HG2 0.02 -0.10 -0.17 -0.04 2.34 2.05 3ii0C1 GLU 319 HG3 0.02 -0.00 0.05 -0.04 2.34 2.37 3ii0C1 TRP 320 H 0.14 0.73 -0.14 -0.55 7.97 8.15 3ii0C1 TRP 320 HA -0.23 -0.09 0.47 -0.75 4.62 4.02 3ii0C1 TRP 320 HB2 -0.22 -0.03 0.09 -0.04 3.23 3.02 3ii0C1 TRP 320 HB3 -0.31 0.20 0.18 -0.04 3.23 3.26 3ii0C1 TRP 320 HD1 -0.58 -0.10 0.09 -0.04 7.22 6.59 3ii0C1 TRP 320 HE1 -0.93 0.47 0.05 -0.04 10.20 9.75 3ii0C1 TRP 320 HE3 -0.69 0.14 -0.00 -0.04 7.59 6.99 3ii0C1 TRP 320 HZ2 -0.01 -0.08 -0.13 -0.04 7.44 7.17 3ii0C1 TRP 320 HZ3 -0.11 0.00 -0.05 -0.04 7.13 6.93 3ii0C1 TRP 320 HH2 0.16 -0.03 -0.08 -0.04 7.19 7.20 3ii0C1 THR 321 H -0.29 0.55 -0.09 -0.55 8.28 7.90 3ii0C1 THR 321 HA -1.03 -0.03 0.40 -0.75 4.39 2.98 3ii0C1 THR 321 HB -0.38 -0.09 0.15 -0.04 4.32 3.95 3ii0C1 THR 321 HG23 -0.74 0.08 0.09 -0.04 1.22 0.61 3ii0C1 GLY 322 H -0.18 0.50 -0.19 -0.55 8.43 8.01 3ii0C1 GLY 322 HA2 -0.13 0.01 0.56 -0.51 4.01 3.95 3ii0C1 GLY 322 HA3 -0.08 0.09 0.34 -0.51 4.01 3.86 3ii0C1 ASN 323 H -0.16 0.45 -0.05 -0.55 8.53 8.22 3ii0C1 ASN 323 HA 0.16 0.03 0.52 -0.75 4.76 4.72 3ii0C1 ASN 323 HB2 -0.15 0.14 0.20 -0.04 2.88 3.02 3ii0C1 ASN 323 HB3 -0.04 -0.05 0.07 -0.04 2.79 2.73 3ii0C1 ASN 323 HD21 0.03 -0.05 0.04 -0.04 7.03 7.01 3ii0C1 ASN 323 HD22 0.10 0.00 -0.01 -0.04 7.74 7.80 3ii0C1 VAL 324 H -0.54 0.62 0.03 -0.55 8.24 7.80 3ii0C1 VAL 324 HA -0.38 0.02 0.54 -0.75 4.13 3.56 3ii0C1 VAL 324 HB -0.72 0.13 0.20 -0.04 2.12 1.68 3ii0C1 VAL 324 HG13 -0.58 -0.04 -0.13 -0.04 0.97 0.19 3ii0C1 VAL 324 HG23 -1.09 0.04 0.10 -0.04 0.95 -0.05 3ii0C1 LYS 325 H -0.28 0.56 -0.09 -0.55 8.42 8.05 3ii0C1 LYS 325 HA -0.19 0.01 0.52 -0.75 4.32 3.91 3ii0C1 LYS 325 HB2 -0.17 0.12 0.26 -0.04 1.87 2.03 3ii0C1 LYS 325 HB3 -0.12 0.10 0.18 -0.04 1.79 1.91 3ii0C1 LYS 325 HG2 -0.08 -0.02 0.07 -0.04 1.46 1.38 3ii0C1 LYS 325 HG3 -0.08 -0.04 -0.01 -0.04 1.46 1.29 3ii0C1 LYS 325 HD2 -0.10 -0.11 0.20 -0.04 1.69 1.63 3ii0C1 LYS 325 HD3 -0.12 0.23 0.19 -0.04 1.68 1.94 3ii0C1 LYS 325 HE2 -0.05 0.04 0.06 -0.04 2.99 3.00 3ii0C1 LYS 325 HE3 -0.06 -0.03 0.04 -0.04 2.99 2.90 3ii0C1 THR 326 H -0.10 0.44 -0.23 -0.55 8.28 7.85 3ii0C1 THR 326 HA -0.10 0.00 0.45 -0.75 4.39 3.99 3ii0C1 THR 326 HB -0.00 0.21 0.24 -0.04 4.32 4.73 3ii0C1 THR 326 HG23 -0.31 -0.02 -0.04 -0.04 1.22 0.81 3ii0C1 MET 327 H -0.19 0.44 -0.16 -0.55 8.47 8.02 3ii0C1 MET 327 HA -0.31 0.04 0.48 -0.75 4.52 3.97 3ii0C1 MET 327 HB2 -0.35 0.14 0.20 -0.04 2.15 2.11 3ii0C1 MET 327 HB3 -0.25 -0.07 -0.01 -0.04 2.03 1.66 3ii0C1 MET 327 HG2 -1.42 -0.02 0.01 -0.04 2.63 1.16 3ii0C1 MET 327 HG3 -0.04 0.13 0.06 -0.04 2.56 2.68 3ii0C1 MET 327 HE3 -0.07 0.01 -0.05 -0.04 2.10 1.95 3ii0C1 ALA 328 H -0.22 0.56 -0.00 -0.55 8.40 8.19 3ii0C1 ALA 328 HA 0.02 0.02 0.48 -0.75 4.34 4.11 3ii0C1 ALA 328 HB3 -0.14 0.02 0.13 -0.04 1.41 1.38 3ii0C1 ASP 329 H -0.08 0.74 -0.08 -0.55 8.40 8.43 3ii0C1 ASP 329 HA -0.02 0.00 0.45 -0.75 4.63 4.31 3ii0C1 ASP 329 HB2 -0.06 0.10 0.18 -0.04 2.71 2.89 3ii0C1 ASP 329 HB3 -0.03 -0.07 0.04 -0.04 2.70 2.60 3ii0C1 ARG 330 H -0.02 0.55 -0.08 -0.55 8.46 8.36 3ii0C1 ARG 330 HA -0.01 -0.03 0.52 -0.75 4.34 4.07 3ii0C1 ARG 330 HB2 0.01 0.07 0.20 -0.04 1.90 2.14 3ii0C1 ARG 330 HB3 0.15 0.09 0.11 -0.04 1.80 2.12 3ii0C1 ARG 330 HG2 -0.02 0.01 0.07 -0.04 1.67 1.68 3ii0C1 ARG 330 HG3 -0.04 -0.07 0.11 -0.04 1.67 1.63 3ii0C1 ARG 330 HD2 -0.10 -0.17 0.06 -0.04 3.22 2.97 3ii0C1 ARG 330 HD3 -0.05 -0.04 0.09 -0.04 3.22 3.18 3ii0C1 ILE 331 H 0.08 0.47 -0.23 -0.55 8.25 8.02 3ii0C1 ILE 331 HA 0.05 0.01 0.38 -0.75 4.18 3.86 3ii0C1 ILE 331 HB 0.10 0.15 0.23 -0.04 1.89 2.33 3ii0C1 ILE 331 HG12 0.10 -0.11 -0.03 -0.04 1.49 1.42 3ii0C1 ILE 331 HG13 0.23 0.05 0.06 -0.04 1.21 1.51 3ii0C1 ILE 331 HG23 0.05 0.05 -0.07 -0.04 0.93 0.92 3ii0C1 ILE 331 HD13 0.29 -0.03 -0.07 -0.04 0.88 1.03 3ii0C1 LEU 332 H 0.02 0.51 0.01 -0.55 8.37 8.37 3ii0C1 LEU 332 HA 0.02 0.06 0.42 -0.75 4.35 4.10 3ii0C1 LEU 332 HB2 0.00 0.10 0.23 -0.04 1.64 1.93 3ii0C1 LEU 332 HB3 0.01 -0.06 0.02 -0.04 1.64 1.56 3ii0C1 LEU 332 HG 0.02 0.09 0.08 -0.04 1.64 1.78 3ii0C1 LEU 332 HD13 -0.00 -0.03 -0.01 -0.04 0.93 0.84 3ii0C1 LEU 332 HD23 0.02 0.00 0.06 -0.04 0.89 0.94 3ii0C1 THR 333 H -0.00 0.59 -0.07 -0.55 8.28 8.25 3ii0C1 THR 333 HA -0.01 -0.03 0.45 -0.75 4.39 4.05 3ii0C1 THR 333 HB -0.01 0.17 0.16 -0.04 4.32 4.59 3ii0C1 THR 333 HG23 -0.02 -0.04 -0.04 -0.04 1.22 1.08 3ii0C1 MET 334 H -0.00 0.63 -0.13 -0.55 8.47 8.43 3ii0C1 MET 334 HA -0.02 -0.08 0.39 -0.75 4.52 4.07 3ii0C1 MET 334 HB2 -0.00 0.14 0.12 -0.04 2.15 2.36 3ii0C1 MET 334 HB3 -0.02 -0.08 0.03 -0.04 2.03 1.92 3ii0C1 MET 334 HG2 -0.02 0.10 0.04 -0.04 2.63 2.71 3ii0C1 MET 334 HG3 -0.04 0.18 -0.01 -0.04 2.56 2.65 3ii0C1 MET 334 HE3 -0.03 -0.03 -0.15 -0.04 2.10 1.85 3ii0C1 ARG 335 H 0.01 0.60 -0.11 -0.55 8.46 8.40 3ii0C1 ARG 335 HA 0.00 -0.00 0.48 -0.75 4.34 4.06 3ii0C1 ARG 335 HB2 0.02 0.15 0.19 -0.04 1.90 2.22 3ii0C1 ARG 335 HB3 0.02 -0.07 -0.12 -0.04 1.80 1.58 3ii0C1 ARG 335 HG2 0.03 -0.04 -0.01 -0.04 1.67 1.61 3ii0C1 ARG 335 HG3 0.02 0.06 -0.02 -0.04 1.67 1.69 3ii0C1 ARG 335 HD2 0.04 -0.11 0.03 -0.04 3.22 3.14 3ii0C1 ARG 335 HD3 0.04 0.24 0.14 -0.04 3.22 3.60 3ii0C1 SER 336 H 0.00 0.54 -0.10 -0.55 8.46 8.35 3ii0C1 SER 336 HA 0.01 -0.00 0.31 -0.75 4.49 4.05 3ii0C1 SER 336 HB2 -0.00 0.12 0.16 -0.04 3.95 4.19 3ii0C1 SER 336 HB3 -0.00 -0.07 0.01 -0.04 3.93 3.82 3ii0C1 GLU 337 H -0.01 0.50 -0.17 -0.55 8.60 8.36 3ii0C1 GLU 337 HA -0.02 0.02 0.52 -0.75 4.29 4.05 3ii0C1 GLU 337 HB2 -0.02 0.08 0.13 -0.04 2.09 2.24 3ii0C1 GLU 337 HB3 -0.03 -0.07 0.01 -0.04 1.99 1.86 3ii0C1 GLU 337 HG2 -0.02 0.25 0.07 -0.04 2.34 2.61 3ii0C1 GLU 337 HG3 -0.02 -0.07 -0.01 -0.04 2.34 2.19 3ii0C1 LEU 338 H -0.03 0.63 -0.05 -0.55 8.37 8.37 3ii0C1 LEU 338 HA -0.07 -0.01 0.36 -0.75 4.35 3.87 3ii0C1 LEU 338 HB2 -0.05 0.00 0.12 -0.04 1.64 1.67 3ii0C1 LEU 338 HB3 -0.04 0.12 0.14 -0.04 1.64 1.82 3ii0C1 LEU 338 HG -0.14 0.00 -0.26 -0.04 1.64 1.20 3ii0C1 LEU 338 HD13 -0.12 -0.02 -0.01 -0.04 0.93 0.74 3ii0C1 LEU 338 HD23 -0.04 0.00 -0.06 -0.04 0.89 0.75 3ii0C1 ARG 339 H -0.03 0.57 -0.21 -0.55 8.46 8.24 3ii0C1 ARG 339 HA -0.07 0.03 0.42 -0.75 4.34 3.97 3ii0C1 ARG 339 HB2 0.03 -0.00 0.10 -0.04 1.90 1.98 3ii0C1 ARG 339 HB3 0.01 0.10 0.12 -0.04 1.80 2.00 3ii0C1 ARG 339 HG2 0.05 0.01 -0.39 -0.04 1.67 1.30 3ii0C1 ARG 339 HG3 0.13 -0.07 -0.06 -0.04 1.67 1.64 3ii0C1 ARG 339 HD2 0.09 0.02 -0.05 -0.04 3.22 3.24 3ii0C1 ARG 339 HD3 0.05 0.03 -0.04 -0.04 3.22 3.22 3ii0C1 ALA 340 H -0.02 0.56 -0.12 -0.55 8.40 8.27 3ii0C1 ALA 340 HA -0.01 -0.02 0.43 -0.75 4.34 3.99 3ii0C1 ALA 340 HB3 -0.01 0.01 0.15 -0.04 1.41 1.52 3ii0C1 ARG 341 H -0.06 0.73 -0.05 -0.55 8.46 8.52 3ii0C1 ARG 341 HA -0.06 0.00 0.46 -0.75 4.34 4.00 3ii0C1 ARG 341 HB2 -0.08 0.15 0.11 -0.04 1.90 2.03 3ii0C1 ARG 341 HB3 -0.09 -0.05 -0.04 -0.04 1.80 1.59 3ii0C1 ARG 341 HG2 -0.05 -0.04 0.01 -0.04 1.67 1.56 3ii0C1 ARG 341 HG3 -0.04 -0.00 0.03 -0.04 1.67 1.61 3ii0C1 ARG 341 HD2 -0.05 0.04 -0.18 -0.04 3.22 3.00 3ii0C1 ARG 341 HD3 -0.05 0.02 -0.20 -0.04 3.22 2.95 3ii0C1 LEU 342 H -0.17 0.46 -0.30 -0.55 8.37 7.82 3ii0C1 LEU 342 HA -0.22 0.05 0.55 -0.75 4.35 3.97 3ii0C1 LEU 342 HB2 -0.52 0.11 0.17 -0.04 1.64 1.36 3ii0C1 LEU 342 HB3 -0.89 -0.01 0.01 -0.04 1.64 0.71 3ii0C1 LEU 342 HG -0.34 0.14 0.09 -0.04 1.64 1.48 3ii0C1 LEU 342 HD13 -1.01 -0.02 -0.05 -0.04 0.93 -0.20 3ii0C1 LEU 342 HD23 -0.39 -0.02 0.05 -0.04 0.89 0.49 3ii0C1 GLU 343 H -0.07 0.46 -0.06 -0.55 8.60 8.38 3ii0C1 GLU 343 HA 0.07 0.10 0.51 -0.75 4.29 4.22 3ii0C1 GLU 343 HB2 0.02 0.09 0.12 -0.04 2.09 2.28 3ii0C1 GLU 343 HB3 0.06 -0.05 0.06 -0.04 1.99 2.03 3ii0C1 GLU 343 HG2 0.21 -0.01 0.03 -0.04 2.34 2.52 3ii0C1 GLU 343 HG3 0.11 0.09 0.06 -0.04 2.34 2.56 3ii0C1 ALA 344 H -0.04 0.38 -0.21 -0.55 8.40 7.99 3ii0C1 ALA 344 HA -0.01 0.04 0.59 -0.75 4.34 4.21 3ii0C1 ALA 344 HB3 -0.04 0.01 0.09 -0.04 1.41 1.43 3ii0C1 LEU 345 H -0.08 0.36 -0.25 -0.55 8.37 7.86 3ii0C1 LEU 345 HA -0.14 0.06 0.60 -0.75 4.35 4.11 3ii0C1 LEU 345 HB2 -0.14 0.08 0.08 -0.04 1.64 1.62 3ii0C1 LEU 345 HB3 -0.55 -0.04 0.10 -0.04 1.64 1.11 3ii0C1 LEU 345 HG -0.13 0.13 0.05 -0.04 1.64 1.66 3ii0C1 LEU 345 HD13 -0.14 -0.03 -0.17 -0.04 0.93 0.55 3ii0C1 LEU 345 HD23 -0.18 -0.02 -0.02 -0.04 0.89 0.63 3ii0C1 LYS 346 H 0.01 0.15 -0.84 -0.55 8.42 7.19 3ii0C1 LYS 346 HA 0.08 0.06 0.24 -0.75 4.32 3.95 3ii0C1 LYS 346 HB2 0.10 0.11 0.18 -0.04 1.87 2.21 3ii0C1 LYS 346 HB3 0.07 -0.09 0.12 -0.04 1.79 1.85 3ii0C1 LYS 346 HG2 0.00 0.04 -0.49 -0.04 1.46 0.97 3ii0C1 LYS 346 HG3 0.03 -0.09 -0.08 -0.04 1.46 1.27 3ii0C1 LYS 346 HD2 0.03 -0.09 0.01 -0.04 1.69 1.60 3ii0C1 LYS 346 HD3 0.03 0.23 0.01 -0.04 1.68 1.91 3ii0C1 LYS 346 HE2 0.00 0.13 0.03 -0.04 2.99 3.11 3ii0C1 LYS 346 HE3 0.01 -0.08 -0.01 -0.04 2.99 2.87 3ii0C1 THR 347 H 0.11 0.41 -0.00 -0.55 8.28 8.26 3ii0C1 THR 347 HA 0.21 0.09 0.35 -0.75 4.39 4.29 3ii0C1 THR 347 HB 0.02 -0.07 -0.05 -0.04 4.32 4.18 3ii0C1 THR 347 HG23 0.09 0.01 -0.02 -0.04 1.22 1.27 3ii0C1 PRO 348 HA 0.12 0.04 0.50 -0.51 4.44 4.59 3ii0C1 PRO 348 HB2 0.05 0.01 -0.01 -0.04 2.28 2.29 3ii0C1 PRO 348 HB3 0.03 -0.06 0.11 -0.04 2.02 2.05 3ii0C1 PRO 348 HG2 -0.01 0.03 0.04 -0.04 2.03 2.05 3ii0C1 PRO 348 HG3 0.04 0.06 0.09 -0.04 2.03 2.17 3ii0C1 PRO 348 HD2 0.04 0.03 0.15 -0.04 3.68 3.86 3ii0C1 PRO 348 HD3 0.03 0.26 0.26 -0.04 3.65 4.16 3ii0C1 GLY 349 H -0.00 0.01 0.14 -0.55 8.43 8.03 3ii0C1 GLY 349 HA2 -0.18 -0.07 0.36 -0.51 4.01 3.61 3ii0C1 GLY 349 HA3 -0.37 0.19 0.62 -0.51 4.01 3.94 3ii0C1 THR 350 H -0.37 0.10 0.18 -0.55 8.28 7.64 3ii0C1 THR 350 HA -0.10 0.20 0.83 -0.75 4.39 4.58 3ii0C1 THR 350 HB -0.04 -0.15 0.14 -0.04 4.32 4.23 3ii0C1 THR 350 HG23 -0.07 0.02 -0.00 -0.04 1.22 1.12 3ii0C1 TRP 351 H 0.16 0.10 0.15 -0.55 7.97 7.84 3ii0C1 TRP 351 HA 0.18 0.24 0.82 -0.75 4.62 5.11 3ii0C1 TRP 351 HB2 0.02 0.03 0.03 -0.04 3.23 3.27 3ii0C1 TRP 351 HB3 -0.04 -0.04 0.15 -0.04 3.23 3.26 3ii0C1 TRP 351 HD1 0.04 -0.01 -0.25 -0.04 7.22 6.96 3ii0C1 TRP 351 HE1 0.04 0.28 -0.53 -0.04 10.20 9.94 3ii0C1 TRP 351 HE3 -0.03 -0.14 0.04 -0.04 7.59 7.42 3ii0C1 TRP 351 HZ2 0.02 0.12 -0.10 -0.04 7.44 7.44 3ii0C1 TRP 351 HZ3 0.11 0.01 -0.01 -0.04 7.13 7.20 3ii0C1 TRP 351 HH2 0.03 -0.06 -0.09 -0.04 7.19 7.04 3ii0C1 ASN 352 H 0.15 0.10 0.08 -0.55 8.53 8.31 3ii0C1 ASN 352 HA 0.11 0.09 0.46 -0.75 4.76 4.67 3ii0C1 ASN 352 HB2 0.08 0.04 0.02 -0.04 2.88 2.97 3ii0C1 ASN 352 HB3 0.07 0.03 0.12 -0.04 2.79 2.97 3ii0C1 HIS 353 H 0.44 0.12 -0.36 -0.55 8.41 8.08 3ii0C1 HIS 353 HA 0.11 0.04 0.40 -0.75 4.63 4.43 3ii0C1 HIS 353 HB2 0.22 0.07 0.07 -0.04 3.26 3.59 3ii0C1 HIS 353 HB3 0.10 0.03 0.07 -0.04 3.20 3.35 3ii0C1 HIS 353 HD2 0.22 0.22 -0.06 -0.04 6.97 7.30 3ii0C1 HIS 353 HE1 -0.45 0.22 0.17 -0.04 7.75 7.65 3ii0C1 ILE 354 H -0.24 0.31 -0.27 -0.55 8.25 7.50 3ii0C1 ILE 354 HA -0.03 0.04 0.47 -0.75 4.18 3.91 3ii0C1 ILE 354 HB 0.01 0.02 0.11 -0.04 1.89 1.99 3ii0C1 ILE 354 HG12 -0.03 0.06 0.11 -0.04 1.49 1.59 3ii0C1 ILE 354 HG13 0.01 -0.01 -0.00 -0.04 1.21 1.16 3ii0C1 ILE 354 HG23 0.00 -0.02 -0.05 -0.04 0.93 0.82 3ii0C1 ILE 354 HD13 -0.03 -0.00 -0.06 -0.04 0.88 0.74 3ii0C1 THR 355 H 0.04 0.16 -0.12 -0.55 8.28 7.81 3ii0C1 THR 355 HA 0.04 0.17 0.66 -0.75 4.39 4.50 3ii0C1 THR 355 HB 0.04 -0.02 0.05 -0.04 4.32 4.34 3ii0C1 THR 355 HG23 0.03 -0.02 -0.13 -0.04 1.22 1.05 3ii0C1 ASP 356 H 0.09 0.34 0.01 -0.55 8.40 8.29 3ii0C1 ASP 356 HA 0.06 0.01 0.62 -0.75 4.63 4.57 3ii0C1 ASP 356 HB2 0.13 0.01 0.10 -0.04 2.71 2.91 3ii0C1 ASP 356 HB3 0.09 -0.08 0.01 -0.04 2.70 2.67 3ii0C1 GLN 357 H 0.12 0.35 -0.16 -0.55 8.47 8.23 3ii0C1 GLN 357 HA 0.13 0.04 0.56 -0.75 4.36 4.33 3ii0C1 GLN 357 HB2 0.12 0.11 0.18 -0.04 2.15 2.53 3ii0C1 GLN 357 HB3 0.13 -0.02 0.18 -0.04 2.02 2.26 3ii0C1 GLN 357 HG2 0.21 -0.01 0.02 -0.04 2.40 2.57 3ii0C1 GLN 357 HG3 0.24 -0.09 0.08 -0.04 2.39 2.58 3ii0C1 GLN 357 HE21 0.45 0.33 0.07 -0.04 6.97 7.79 3ii0C1 GLN 357 HE22 0.54 -0.07 0.03 -0.04 7.69 8.16 3ii0C1 ILE 358 H 0.11 0.49 0.43 -0.55 8.25 8.72 3ii0C1 ILE 358 HA 0.07 0.28 0.87 -0.75 4.18 4.64 3ii0C1 ILE 358 HB 0.09 0.03 0.35 -0.04 1.89 2.31 3ii0C1 ILE 358 HG12 0.10 -0.07 0.05 -0.04 1.49 1.53 3ii0C1 ILE 358 HG13 0.11 0.22 0.16 -0.04 1.21 1.66 3ii0C1 ILE 358 HG23 0.07 0.05 -0.08 -0.04 0.93 0.92 3ii0C1 ILE 358 HD13 0.13 -0.11 -0.20 -0.04 0.88 0.66 3ii0C1 GLY 359 H 0.09 0.36 0.31 -0.55 8.43 8.64 3ii0C1 GLY 359 HA2 0.09 -0.02 0.19 -0.51 4.01 3.76 3ii0C1 GLY 359 HA3 -0.03 -0.04 0.74 -0.51 4.01 4.17 3ii0C1 MET 360 H -0.43 0.06 0.13 -0.55 8.47 7.67 3ii0C1 MET 360 HA -0.18 0.18 0.53 -0.75 4.52 4.29 3ii0C1 MET 360 HB2 -1.12 -0.05 0.08 -0.04 2.15 1.02 3ii0C1 MET 360 HB3 -1.00 -0.02 -0.04 -0.04 2.03 0.94 3ii0C1 MET 360 HG2 -0.23 0.05 -0.03 -0.04 2.63 2.38 3ii0C1 MET 360 HG3 -0.64 -0.04 -0.07 -0.04 2.56 1.77 3ii0C1 MET 360 HE3 0.08 -0.00 -0.17 -0.04 2.10 1.98 3ii0C1 PHE 361 H -0.08 0.08 -0.16 -0.55 8.34 7.63 3ii0C1 PHE 361 HA -0.01 0.22 0.77 -0.75 4.62 4.86 3ii0C1 PHE 361 HB2 -0.07 -0.01 -0.08 -0.04 3.15 2.95 3ii0C1 PHE 361 HB3 -0.00 0.11 -0.03 -0.04 3.06 3.10 3ii0C1 PHE 361 HD2 -0.14 0.16 -0.19 -0.04 7.28 7.07 3ii0C1 PHE 361 HE2 -0.19 0.06 -0.10 -0.04 7.38 7.10 3ii0C1 PHE 361 HZ 0.05 -0.10 0.00 -0.04 7.32 7.23 3ii0C1 SER 362 H 0.20 0.56 0.31 -0.55 8.46 8.98 3ii0C1 SER 362 HA 0.15 0.23 0.43 -0.75 4.49 4.53 3ii0C1 SER 362 HB2 0.08 0.12 0.05 -0.04 3.95 4.15 3ii0C1 SER 362 HB3 0.09 -0.08 0.07 -0.04 3.93 3.96 3ii0C1 PHE 363 H 0.21 0.34 -0.04 -0.55 8.34 8.30 3ii0C1 PHE 363 HA -0.09 -0.00 0.57 -0.75 4.62 4.34 3ii0C1 PHE 363 HB2 -0.30 0.10 0.09 -0.04 3.15 3.00 3ii0C1 PHE 363 HB3 -0.41 0.04 0.14 -0.04 3.06 2.79 3ii0C1 PHE 363 HD2 -1.01 0.03 -0.12 -0.04 7.28 6.13 3ii0C1 PHE 363 HE2 -0.62 -0.07 -0.10 -0.04 7.38 6.54 3ii0C1 PHE 363 HZ -0.26 -0.03 -0.04 -0.04 7.32 6.94 3ii0C1 THR 364 H -0.06 0.52 0.07 -0.55 8.28 8.26 3ii0C1 THR 364 HA 0.27 0.06 0.11 -0.75 4.39 4.08 3ii0C1 THR 364 HB 0.25 0.00 0.01 -0.04 4.32 4.54 3ii0C1 THR 364 HG23 0.08 0.03 -0.00 -0.04 1.22 1.28 3ii0C1 GLY 365 H -0.23 0.09 -0.13 -0.55 8.43 7.62 3ii0C1 GLY 365 HA2 -0.09 -0.02 0.23 -0.51 4.01 3.63 3ii0C1 GLY 365 HA3 -0.02 0.18 0.64 -0.51 4.01 4.31 3ii0C1 LEU 366 H 0.01 -0.03 -0.21 -0.55 8.37 7.59 3ii0C1 LEU 366 HA 0.04 0.10 0.44 -0.75 4.35 4.17 3ii0C1 LEU 366 HB2 0.00 -0.06 0.02 -0.04 1.64 1.56 3ii0C1 LEU 366 HB3 0.02 -0.01 -0.02 -0.04 1.64 1.59 3ii0C1 LEU 366 HG 0.17 -0.02 -0.11 -0.04 1.64 1.64 3ii0C1 LEU 366 HD13 0.05 0.00 -0.08 -0.04 0.93 0.86 3ii0C1 LEU 366 HD23 0.16 0.02 -0.07 -0.04 0.89 0.96 3ii0C1 ASN 367 H -0.02 0.12 0.19 -0.55 8.53 8.28 3ii0C1 ASN 367 HA -0.04 0.22 0.65 -0.75 4.76 4.83 3ii0C1 ASN 367 HB2 -0.03 -0.01 0.19 -0.04 2.88 2.99 3ii0C1 ASN 367 HB3 -0.04 0.11 0.15 -0.04 2.79 2.97 3ii0C1 ASN 367 HD21 -0.04 0.31 0.13 -0.04 7.03 7.38 3ii0C1 ASN 367 HD22 -0.05 0.01 0.17 -0.04 7.74 7.82 3ii0C1 PRO 368 HA -0.02 0.18 0.36 -0.51 4.44 4.46 3ii0C1 PRO 368 HB2 0.00 0.02 0.03 -0.04 2.28 2.29 3ii0C1 PRO 368 HB3 -0.00 0.03 0.11 -0.04 2.02 2.11 3ii0C1 PRO 368 HG2 0.00 0.02 0.06 -0.04 2.03 2.07 3ii0C1 PRO 368 HG3 -0.01 0.14 0.05 -0.04 2.03 2.16 3ii0C1 PRO 368 HD2 -0.01 0.07 0.19 -0.04 3.68 3.88 3ii0C1 PRO 368 HD3 -0.02 0.18 0.22 -0.04 3.65 3.98 3ii0C1 LYS 369 H -0.01 0.13 -0.15 -0.55 8.42 7.83 3ii0C1 LYS 369 HA 0.01 0.13 0.65 -0.75 4.32 4.35 3ii0C1 LYS 369 HB2 -0.01 -0.01 0.07 -0.04 1.87 1.89 3ii0C1 LYS 369 HB3 -0.00 0.08 -0.02 -0.04 1.79 1.80 3ii0C1 LYS 369 HG2 0.01 0.02 0.03 -0.04 1.46 1.48 3ii0C1 LYS 369 HG3 0.01 -0.02 -0.01 -0.04 1.46 1.40 3ii0C1 GLN 370 H -0.01 0.09 -0.17 -0.55 8.47 7.84 3ii0C1 GLN 370 HA 0.01 0.11 0.54 -0.75 4.36 4.27 3ii0C1 GLN 370 HB2 -0.00 0.06 0.12 -0.04 2.15 2.28 3ii0C1 GLN 370 HB3 0.01 0.01 -0.01 -0.04 2.02 1.98 3ii0C1 GLN 370 HG2 -0.06 0.20 0.00 -0.04 2.40 2.50 3ii0C1 GLN 370 HG3 -0.03 -0.12 0.07 -0.04 2.39 2.27 3ii0C1 GLN 370 HE21 -0.01 -0.05 0.05 -0.04 6.97 6.92 3ii0C1 GLN 370 HE22 -0.05 0.42 0.10 -0.04 7.69 8.12 3ii0C1 VAL 371 H 0.00 0.51 -0.18 -0.55 8.24 8.01 3ii0C1 VAL 371 HA 0.01 0.04 0.37 -0.75 4.13 3.80 3ii0C1 VAL 371 HB -0.01 0.07 0.07 -0.04 2.12 2.20 3ii0C1 VAL 371 HG13 -0.02 -0.04 -0.37 -0.04 0.97 0.50 3ii0C1 VAL 371 HG23 -0.02 0.02 -0.15 -0.04 0.95 0.76 3ii0C1 GLU 372 H 0.01 0.46 -0.25 -0.55 8.60 8.27 3ii0C1 GLU 372 HA -0.03 -0.01 0.43 -0.75 4.29 3.92 3ii0C1 GLU 372 HB2 -0.01 -0.03 0.13 -0.04 2.09 2.14 3ii0C1 GLU 372 HB3 0.01 0.08 0.25 -0.04 1.99 2.29 3ii0C1 GLU 372 HG2 0.02 0.05 -0.27 -0.04 2.34 2.09 3ii0C1 GLU 372 HG3 -0.01 -0.05 0.03 -0.04 2.34 2.27 3ii0C1 TYR 373 H 0.12 0.40 -0.40 -0.55 8.29 7.86 3ii0C1 TYR 373 HA -0.05 0.01 0.48 -0.75 4.56 4.25 3ii0C1 TYR 373 HB2 -0.03 0.01 0.09 -0.04 3.06 3.08 3ii0C1 TYR 373 HB3 -0.04 0.15 0.21 -0.04 2.98 3.26 3ii0C1 TYR 373 HD2 -0.04 0.01 -0.07 -0.04 7.15 7.02 3ii0C1 TYR 373 HE2 -0.03 0.06 -0.03 -0.04 6.85 6.81 3ii0C1 LEU 374 H 0.10 0.51 -0.04 -0.55 8.37 8.40 3ii0C1 LEU 374 HA -0.12 -0.00 0.34 -0.75 4.35 3.80 3ii0C1 LEU 374 HB2 -0.01 0.13 0.15 -0.04 1.64 1.86 3ii0C1 LEU 374 HB3 -0.03 -0.02 -0.04 -0.04 1.64 1.51 3ii0C1 LEU 374 HG 0.14 0.13 0.06 -0.04 1.64 1.94 3ii0C1 LEU 374 HD13 0.02 -0.03 -0.10 -0.04 0.93 0.78 3ii0C1 LEU 374 HD23 0.05 -0.01 -0.21 -0.04 0.89 0.69 3ii0C1 VAL 375 H -0.11 0.54 -0.17 -0.55 8.24 7.95 3ii0C1 VAL 375 HA -0.37 0.18 0.28 -0.75 4.13 3.47 3ii0C1 VAL 375 HB -0.15 -0.01 0.09 -0.04 2.12 2.01 3ii0C1 VAL 375 HG13 -0.35 -0.02 -0.19 -0.04 0.97 0.36 3ii0C1 VAL 375 HG23 -0.13 0.02 0.06 -0.04 0.95 0.86 3ii0C1 ASN 376 H -0.18 0.55 -0.10 -0.55 8.53 8.26 3ii0C1 ASN 376 HA -0.28 0.08 0.38 -0.75 4.76 4.18 3ii0C1 ASN 376 HB2 -0.11 0.15 0.17 -0.04 2.88 3.05 3ii0C1 ASN 376 HB3 -0.11 -0.05 0.04 -0.04 2.79 2.63 3ii0C1 ASN 376 HD21 -0.03 -0.07 0.02 -0.04 7.03 6.90 3ii0C1 ASN 376 HD22 -0.04 0.01 0.02 -0.04 7.74 7.69 3ii0C1 GLU 377 H -0.32 0.60 0.06 -0.55 8.60 8.39 3ii0C1 GLU 377 HA -0.16 0.12 0.76 -0.75 4.29 4.25 3ii0C1 GLU 377 HB2 -0.92 0.12 0.09 -0.04 2.09 1.34 3ii0C1 GLU 377 HB3 -0.33 -0.05 0.02 -0.04 1.99 1.59 3ii0C1 GLU 377 HG2 -0.18 -0.02 0.04 -0.04 2.34 2.14 3ii0C1 GLU 377 HG3 -0.13 -0.03 0.01 -0.04 2.34 2.15 3ii0C1 LYS 378 H -0.31 0.35 0.00 -0.55 8.42 7.90 3ii0C1 LYS 378 HA 0.09 0.18 0.84 -0.75 4.32 4.68 3ii0C1 LYS 378 HB2 -0.15 0.03 0.13 -0.04 1.87 1.83 3ii0C1 LYS 378 HB3 -0.16 -0.02 0.13 -0.04 1.79 1.71 3ii0C1 LYS 378 HG2 -0.64 -0.04 -0.18 -0.04 1.46 0.56 3ii0C1 LYS 378 HG3 -0.16 -0.02 -0.01 -0.04 1.46 1.22 3ii0C1 LYS 378 HD2 -0.05 0.13 -0.15 -0.04 1.69 1.59 3ii0C1 LYS 378 HD3 -0.09 -0.03 -0.11 -0.04 1.68 1.40 3ii0C1 LYS 378 HE2 -0.13 -0.02 0.00 -0.04 2.99 2.79 3ii0C1 LYS 378 HE3 -0.39 0.02 0.03 -0.04 2.99 2.61 3ii0C1 HIS 379 H -0.27 0.16 -0.38 -0.55 8.41 7.37 3ii0C1 HIS 379 HA -0.14 0.23 0.27 -0.75 4.63 4.24 3ii0C1 HIS 379 HB2 0.10 0.08 -0.35 -0.04 3.26 3.05 3ii0C1 HIS 379 HB3 0.18 -0.08 0.12 -0.04 3.20 3.38 3ii0C1 HIS 379 HD2 0.01 0.11 -0.37 -0.04 6.97 6.67 3ii0C1 HIS 379 HE1 0.03 -0.06 0.02 -0.04 7.75 7.69 3ii0C1 ILE 380 H -0.07 0.50 -0.35 -0.55 8.25 7.78 3ii0C1 ILE 380 HA 0.20 0.14 0.79 -0.75 4.18 4.55 3ii0C1 ILE 380 HB -0.01 -0.08 -0.08 -0.04 1.89 1.68 3ii0C1 ILE 380 HG12 0.24 0.04 -0.11 -0.04 1.49 1.61 3ii0C1 ILE 380 HG13 0.14 0.24 -0.22 -0.04 1.21 1.33 3ii0C1 ILE 380 HG23 0.05 -0.03 -0.23 -0.04 0.93 0.68 3ii0C1 ILE 380 HD13 -0.11 -0.03 -0.07 -0.04 0.88 0.63 3ii0C1 TYR 381 H 0.31 0.76 0.32 -0.55 8.29 9.12 3ii0C1 TYR 381 HA 0.04 0.11 0.56 -0.75 4.56 4.52 3ii0C1 TYR 381 HB2 -0.01 -0.07 0.26 -0.04 3.06 3.21 3ii0C1 TYR 381 HB3 0.03 -0.11 -0.02 -0.04 2.98 2.85 3ii0C1 TYR 381 HD2 0.18 0.04 -0.03 -0.04 7.15 7.30 3ii0C1 TYR 381 HE2 0.17 0.03 -0.07 -0.04 6.85 6.94 3ii0C1 LEU 382 H 0.02 0.34 0.16 -0.55 8.37 8.33 3ii0C1 LEU 382 HA 0.06 0.09 0.33 -0.75 4.35 4.08 3ii0C1 LEU 382 HB2 0.03 0.22 0.08 -0.04 1.64 1.94 3ii0C1 LEU 382 HB3 0.03 0.01 -0.26 -0.04 1.64 1.38 3ii0C1 LEU 382 HG -0.00 0.09 -0.34 -0.04 1.64 1.35 3ii0C1 LEU 382 HD13 0.00 -0.01 -0.23 -0.04 0.93 0.65 3ii0C1 LEU 382 HD23 -0.01 -0.02 -0.14 -0.04 0.89 0.67 3ii0C1 LEU 383 H 0.02 0.43 0.16 -0.55 8.37 8.43 3ii0C1 LEU 383 HA 0.01 0.13 0.51 -0.75 4.35 4.25 3ii0C1 LEU 383 HB2 -0.01 -0.05 0.15 -0.04 1.64 1.69 3ii0C1 LEU 383 HB3 -0.01 -0.10 0.08 -0.04 1.64 1.57 3ii0C1 LEU 383 HG -0.01 0.15 0.00 -0.04 1.64 1.74 3ii0C1 LEU 383 HD13 -0.05 -0.02 -0.02 -0.04 0.93 0.79 3ii0C1 LEU 383 HD23 0.00 -0.01 -0.11 -0.04 0.89 0.73 3ii0C1 PRO 384 HA -0.02 0.14 0.43 -0.51 4.44 4.48 3ii0C1 PRO 384 HB2 -0.01 -0.02 -0.00 -0.04 2.28 2.21 3ii0C1 PRO 384 HB3 -0.01 0.08 0.09 -0.04 2.02 2.15 3ii0C1 PRO 384 HG2 -0.00 0.02 0.08 -0.04 2.03 2.09 3ii0C1 PRO 384 HG3 0.00 0.13 0.09 -0.04 2.03 2.20 3ii0C1 PRO 384 HD2 -0.01 -0.01 0.20 -0.04 3.68 3.82 3ii0C1 PRO 384 HD3 0.01 0.22 0.21 -0.04 3.65 4.05 3ii0C1 SER 385 H -0.02 -0.01 -0.35 -0.55 8.46 7.54 3ii0C1 SER 385 HA -0.06 0.15 0.43 -0.75 4.49 4.25 3ii0C1 SER 385 HB2 0.08 0.04 0.05 -0.04 3.95 4.08 3ii0C1 SER 385 HB3 0.03 -0.02 0.05 -0.04 3.93 3.95 3ii0C1 GLY 386 H -0.07 0.55 -0.46 -0.55 8.43 7.90 3ii0C1 GLY 386 HA2 -0.08 0.07 0.19 -0.51 4.01 3.69 3ii0C1 GLY 386 HA3 -0.23 0.14 0.67 -0.51 4.01 4.08 3ii0C1 ARG 387 H -0.06 -0.07 -0.17 -0.55 8.46 7.60 3ii0C1 ARG 387 HA 0.06 0.29 0.79 -0.75 4.34 4.73 3ii0C1 ARG 387 HB2 0.15 -0.04 -0.00 -0.04 1.90 1.96 3ii0C1 ARG 387 HB3 -0.02 -0.15 0.07 -0.04 1.80 1.66 3ii0C1 ARG 387 HG2 0.05 0.15 -0.25 -0.04 1.67 1.58 3ii0C1 ARG 387 HG3 0.01 0.16 -0.08 -0.04 1.67 1.71 3ii0C1 ARG 387 HD2 -1.10 -0.07 -0.08 -0.04 3.22 1.94 3ii0C1 ARG 387 HD3 -0.31 -0.09 -0.07 -0.04 3.22 2.71 3ii0C1 ILE 388 H 0.11 0.60 0.42 -0.55 8.25 8.84 3ii0C1 ILE 388 HA 0.09 0.34 1.01 -0.75 4.18 4.87 3ii0C1 ILE 388 HB 0.06 0.06 -0.03 -0.04 1.89 1.93 3ii0C1 ILE 388 HG12 0.07 0.09 0.10 -0.04 1.49 1.71 3ii0C1 ILE 388 HG13 0.09 -0.17 -0.09 -0.04 1.21 0.99 3ii0C1 ILE 388 HG23 0.03 0.01 -0.16 -0.04 0.93 0.77 3ii0C1 ILE 388 HD13 0.03 0.01 -0.12 -0.04 0.88 0.76 3ii0C1 ASN 389 H 0.11 0.58 0.16 -0.55 8.53 8.83 3ii0C1 ASN 389 HA 0.07 0.05 0.64 -0.75 4.76 4.76 3ii0C1 ASN 389 HB2 0.15 0.19 -0.28 -0.04 2.88 2.89 3ii0C1 ASN 389 HB3 0.04 -0.02 -0.03 -0.04 2.79 2.74 3ii0C1 ASN 389 HD21 -0.03 0.25 -0.16 -0.04 7.03 7.06 3ii0C1 ASN 389 HD22 -0.02 0.09 -0.08 -0.04 7.74 7.69 3ii0C1 VAL 390 H -0.02 0.59 0.28 -0.55 8.24 8.55 3ii0C1 VAL 390 HA 0.00 0.05 0.35 -0.75 4.13 3.78 3ii0C1 VAL 390 HB -0.01 0.06 -0.00 -0.04 2.12 2.13 3ii0C1 VAL 390 HG13 0.01 0.01 -0.10 -0.04 0.97 0.84 3ii0C1 VAL 390 HG23 0.04 0.01 -0.24 -0.04 0.95 0.72 3ii0C1 SER 391 H -0.05 0.12 -0.17 -0.55 8.46 7.81 3ii0C1 SER 391 HA -0.05 0.17 0.38 -0.75 4.49 4.23 3ii0C1 SER 391 HB2 -0.12 -0.11 0.23 -0.04 3.95 3.90 3ii0C1 SER 391 HB3 0.17 0.01 0.08 -0.04 3.93 4.15 3ii0C1 GLY 392 H -0.05 0.34 -0.70 -0.55 8.43 7.47 3ii0C1 GLY 392 HA2 -0.10 0.09 0.66 -0.51 4.01 4.14 3ii0C1 GLY 392 HA3 -0.06 0.10 0.30 -0.51 4.01 3.83 3ii0C1 LEU 393 H -0.05 0.40 -0.14 -0.55 8.37 8.03 3ii0C1 LEU 393 HA -0.03 0.06 0.68 -0.75 4.35 4.32 3ii0C1 LEU 393 HB2 -0.03 0.12 0.09 -0.04 1.64 1.78 3ii0C1 LEU 393 HB3 -0.02 -0.09 -0.01 -0.04 1.64 1.48 3ii0C1 LEU 393 HG -0.01 0.04 -0.03 -0.04 1.64 1.59 3ii0C1 LEU 393 HD13 -0.01 -0.01 -0.03 -0.04 0.93 0.84 3ii0C1 LEU 393 HD23 -0.00 -0.01 -0.09 -0.04 0.89 0.75 3ii0C1 THR 394 H -0.03 0.15 0.20 -0.55 8.28 8.04 3ii0C1 THR 394 HA -0.07 0.21 0.79 -0.75 4.39 4.57 3ii0C1 THR 394 HB -0.07 0.24 0.22 -0.04 4.32 4.67 3ii0C1 THR 394 HG23 -0.10 0.08 -0.33 -0.04 1.22 0.82 3ii0C1 THR 395 H -0.05 0.23 0.20 -0.55 8.28 8.12 3ii0C1 THR 395 HA -0.03 0.06 0.46 -0.75 4.39 4.13 3ii0C1 THR 395 HB -0.02 0.04 0.11 -0.04 4.32 4.40 3ii0C1 THR 395 HG23 -0.03 0.01 0.09 -0.04 1.22 1.25 3ii0C1 LYS 396 H -0.04 0.09 -0.37 -0.55 8.42 7.55 3ii0C1 LYS 396 HA -0.02 0.15 0.67 -0.75 4.32 4.37 3ii0C1 LYS 396 HB2 -0.04 0.05 -0.01 -0.04 1.87 1.83 3ii0C1 LYS 396 HB3 -0.03 0.06 0.07 -0.04 1.79 1.85 3ii0C1 LYS 396 HG2 -0.03 0.01 -0.00 -0.04 1.46 1.40 3ii0C1 LYS 396 HG3 -0.04 -0.13 0.00 -0.04 1.46 1.25 3ii0C1 ASN 397 H -0.01 0.26 -0.05 -0.55 8.53 8.18 3ii0C1 ASN 397 HA 0.04 0.24 0.93 -0.75 4.76 5.21 3ii0C1 ASN 397 HB2 0.08 0.06 0.13 -0.04 2.88 3.10 3ii0C1 ASN 397 HB3 0.01 0.09 -0.02 -0.04 2.79 2.83 3ii0C1 ASN 397 HD21 -0.01 0.42 0.20 -0.04 7.03 7.60 3ii0C1 ASN 397 HD22 0.02 0.06 0.04 -0.04 7.74 7.81 3ii0C1 LEU 398 H 0.00 0.35 0.03 -0.55 8.37 8.20 3ii0C1 LEU 398 HA -0.00 0.05 0.31 -0.75 4.35 3.96 3ii0C1 LEU 398 HB2 -0.02 0.15 0.12 -0.04 1.64 1.85 3ii0C1 LEU 398 HB3 -0.02 0.03 -0.04 -0.04 1.64 1.57 3ii0C1 LEU 398 HG -0.03 0.00 -0.15 -0.04 1.64 1.42 3ii0C1 LEU 398 HD13 -0.03 -0.00 0.01 -0.04 0.93 0.87 3ii0C1 LEU 398 HD23 -0.03 -0.00 -0.15 -0.04 0.89 0.67 3ii0C1 ASP 399 H 0.02 0.17 -0.25 -0.55 8.40 7.79 3ii0C1 ASP 399 HA -0.02 0.08 0.40 -0.75 4.63 4.34 3ii0C1 ASP 399 HB2 0.03 0.02 0.03 -0.04 2.71 2.75 3ii0C1 ASP 399 HB3 0.02 0.05 -0.09 -0.04 2.70 2.64 3ii0C1 TYR 400 H 0.15 0.14 -0.20 -0.55 8.29 7.82 3ii0C1 TYR 400 HA -0.00 0.05 0.45 -0.75 4.56 4.30 3ii0C1 TYR 400 HB2 0.00 -0.02 0.10 -0.04 3.06 3.10 3ii0C1 TYR 400 HB3 0.00 0.12 0.10 -0.04 2.98 3.16 3ii0C1 TYR 400 HD2 0.02 -0.03 -0.05 -0.04 7.15 7.04 3ii0C1 TYR 400 HE2 0.03 0.07 -0.02 -0.04 6.85 6.89 3ii0C1 VAL 401 H 0.07 0.41 -0.26 -0.55 8.24 7.90 3ii0C1 VAL 401 HA -0.11 0.10 0.53 -0.75 4.13 3.89 3ii0C1 VAL 401 HB -0.00 0.03 0.08 -0.04 2.12 2.19 3ii0C1 VAL 401 HG13 -0.03 -0.01 -0.15 -0.04 0.97 0.74 3ii0C1 VAL 401 HG23 0.09 0.03 -0.05 -0.04 0.95 0.98 3ii0C1 ALA 402 H -0.06 0.63 0.04 -0.55 8.40 8.47 3ii0C1 ALA 402 HA -0.14 0.02 0.45 -0.75 4.34 3.91 3ii0C1 ALA 402 HB3 -0.11 0.02 0.04 -0.04 1.41 1.32 3ii0C1 THR 403 H -0.08 0.52 -0.24 -0.55 8.28 7.93 3ii0C1 THR 403 HA -0.05 0.05 0.33 -0.75 4.39 3.97 3ii0C1 THR 403 HB -0.05 -0.04 0.06 -0.04 4.32 4.25 3ii0C1 THR 403 HG23 -0.07 0.05 0.03 -0.04 1.22 1.19 3ii0C1 SER 404 H -0.19 0.42 -0.27 -0.55 8.46 7.87 3ii0C1 SER 404 HA -0.04 0.03 0.65 -0.75 4.49 4.38 3ii0C1 SER 404 HB2 -0.22 0.08 0.21 -0.04 3.95 3.98 3ii0C1 SER 404 HB3 -0.12 -0.10 -0.00 -0.04 3.93 3.66 3ii0C1 ILE 405 H -0.08 0.62 -0.13 -0.55 8.25 8.12 3ii0C1 ILE 405 HA -0.01 -0.01 0.46 -0.75 4.18 3.87 3ii0C1 ILE 405 HB -0.16 0.11 0.15 -0.04 1.89 1.95 3ii0C1 ILE 405 HG12 -0.03 -0.08 -0.03 -0.04 1.49 1.32 3ii0C1 ILE 405 HG13 -0.06 0.19 0.05 -0.04 1.21 1.34 3ii0C1 ILE 405 HG23 -0.13 -0.02 -0.12 -0.04 0.93 0.62 3ii0C1 ILE 405 HD13 -0.09 -0.02 -0.09 -0.04 0.88 0.64 3ii0C1 HIS 406 H 0.00 0.70 0.00 -0.55 8.41 8.57 3ii0C1 HIS 406 HA -0.07 0.02 0.40 -0.75 4.63 4.22 3ii0C1 HIS 406 HB2 -0.11 0.03 0.10 -0.04 3.26 3.24 3ii0C1 HIS 406 HB3 -0.07 0.04 0.11 -0.04 3.20 3.24 3ii0C1 HIS 406 HD2 -0.03 -0.04 -0.24 -0.04 6.97 6.61 3ii0C1 HIS 406 HE1 -0.02 -0.06 -0.05 -0.04 7.75 7.57 3ii0C1 GLU 407 H 0.06 0.43 -0.40 -0.55 8.60 8.14 3ii0C1 GLU 407 HA -0.08 0.01 0.46 -0.75 4.29 3.93 3ii0C1 GLU 407 HB2 0.12 0.20 0.18 -0.04 2.09 2.55 3ii0C1 GLU 407 HB3 -0.05 -0.08 -0.04 -0.04 1.99 1.77 3ii0C1 GLU 407 HG2 0.08 -0.08 0.03 -0.04 2.34 2.32 3ii0C1 GLU 407 HG3 0.12 0.08 0.08 -0.04 2.34 2.58 3ii0C1 ALA 408 H -0.07 0.58 -0.07 -0.55 8.40 8.30 3ii0C1 ALA 408 HA -0.55 -0.07 0.36 -0.75 4.34 3.33 3ii0C1 ALA 408 HB3 0.02 0.02 0.16 -0.04 1.41 1.56 3ii0C1 VAL 409 H -0.08 0.65 -0.19 -0.55 8.24 8.07 3ii0C1 VAL 409 HA -0.03 0.02 0.27 -0.75 4.13 3.63 3ii0C1 VAL 409 HB -0.04 0.09 0.10 -0.04 2.12 2.23 3ii0C1 VAL 409 HG13 0.09 0.01 -0.11 -0.04 0.97 0.93 3ii0C1 VAL 409 HG23 0.23 0.02 -0.03 -0.04 0.95 1.13 3ii0C1 THR 410 H -0.23 0.51 -0.13 -0.55 8.28 7.88 3ii0C1 THR 410 HA -0.12 0.06 0.60 -0.75 4.39 4.18 3ii0C1 THR 410 HB -0.14 -0.10 0.08 -0.04 4.32 4.13 3ii0C1 THR 410 HG23 -0.34 0.00 0.04 -0.04 1.22 0.89 3ii0C1 LYS 411 H -0.21 0.84 -0.01 -0.55 8.42 8.48 3ii0C1 LYS 411 HA -0.10 0.08 0.76 -0.75 4.32 4.30 3ii0C1 LYS 411 HB2 -0.38 0.07 -0.03 -0.04 1.87 1.48 3ii0C1 LYS 411 HB3 -0.16 -0.10 0.04 -0.04 1.79 1.53 3ii0C1 LYS 411 HG2 -0.08 -0.05 -0.01 -0.04 1.46 1.29 3ii0C1 LYS 411 HG3 -0.15 0.07 0.02 -0.04 1.46 1.36 3ii0C1 LYS 411 HD2 -0.33 0.00 -0.10 -0.04 1.69 1.22 3ii0C1 LYS 411 HD3 -0.05 -0.05 -0.03 -0.04 1.68 1.51 3ii0C1 LYS 411 HE2 0.00 0.01 -0.01 -0.04 2.99 2.95 3ii0C1 LYS 411 HE3 0.11 -0.01 -0.03 -0.04 2.99 3.01 3ii0C1 ILE 412 H -0.17 0.62 -0.15 -0.55 8.25 8.00 3ii0C1 ILE 412 HA -0.08 0.05 0.67 -0.75 4.18 4.06 3ii0C1 ILE 412 HB -0.10 0.14 0.18 -0.04 1.89 2.06 3ii0C1 ILE 412 HG12 -0.04 -0.10 -0.05 -0.04 1.49 1.25 3ii0C1 ILE 412 HG13 -0.09 0.17 -0.09 -0.04 1.21 1.16 3ii0C1 ILE 412 HG23 -0.05 -0.03 0.01 -0.04 0.93 0.82 3ii0C1 ILE 412 HD13 -0.17 -0.01 -0.11 -0.04 0.88 0.55 3ii0C1 ALA 413 H -0.06 0.15 -0.23 -0.55 8.40 7.71 3ii0C1 ALA 413 HA -0.06 0.31 0.51 -0.75 4.34 4.35 3ii0C1 ALA 413 HB3 -0.05 0.00 0.08 -0.04 1.41 1.40 3ii0C1 GLU 414 H -0.05 -0.03 -0.37 -0.55 8.60 7.59 3ii0C1 GLU 414 HA -0.07 0.08 0.58 -0.75 4.29 4.13 3ii0C1 ASN 415 H -0.11 0.20 0.18 -0.55 8.53 8.25 3ii0C1 ASN 415 HA -0.09 0.08 0.36 -0.75 4.76 4.35 3ii0C1 LEU 416 H -0.11 0.11 0.02 -0.55 8.37 7.85 3ii0C1 LEU 416 HA -0.19 0.16 0.73 -0.75 4.35 4.30 3ii0C1 LEU 416 HB2 -0.04 0.01 -0.07 -0.04 1.64 1.50 3ii0C1 LEU 416 HB3 -0.02 -0.04 0.06 -0.04 1.64 1.60 3ii0C1 LEU 416 HG -0.05 -0.05 -0.19 -0.04 1.64 1.31 3ii0C1 LEU 416 HD13 0.01 0.02 -0.01 -0.04 0.93 0.91 3ii0C1 LEU 416 HD23 -0.01 0.02 -0.02 -0.04 0.89 0.84 3ii0C1 TYR 417 H -0.10 0.07 0.17 -0.55 8.29 7.88 3ii0C1 TYR 417 HA -0.14 0.21 0.84 -0.75 4.56 4.71 3ii0C1 TYR 417 HB2 -0.62 -0.04 0.12 -0.04 3.06 2.48 3ii0C1 TYR 417 HB3 -0.46 0.01 0.02 -0.04 2.98 2.51 3ii0C1 TYR 417 HD2 -0.17 -0.01 0.03 -0.04 7.15 6.96 3ii0C1 TYR 417 HE2 -0.08 0.00 -0.01 -0.04 6.85 6.72 3ii0C1 PHE 418 H -0.05 0.05 0.11 -0.55 8.34 7.90 3ii0C1 PHE 418 HA 0.05 0.16 0.84 -0.75 4.62 4.91 3ii0C1 PHE 418 HB2 0.04 0.00 0.11 -0.04 3.15 3.27 3ii0C1 PHE 418 HB3 0.03 0.02 -0.01 -0.04 3.06 3.07 3ii0C1 PHE 418 HD2 0.04 0.03 -0.01 -0.04 7.28 7.30 3ii0C1 PHE 418 HE2 0.01 0.02 -0.02 -0.04 7.38 7.35 3ii0C1 PHE 418 HZ -0.02 0.02 -0.01 -0.04 7.32 7.26 3ii0C1 GLN 419 H 0.17 0.15 0.03 -0.55 8.47 8.27 3ii0C1 GLN 419 HA 0.08 0.20 0.54 -0.75 4.36 4.42 3ii0C1 GLN 419 HB2 0.06 0.05 -0.19 -0.04 2.15 2.02 3ii0C1 GLN 419 HB3 0.04 0.01 0.00 -0.04 2.02 2.04 3ii0C1 GLN 419 HG2 0.02 -0.03 -0.02 -0.04 2.40 2.33 3ii0C1 GLN 419 HG3 0.04 0.18 -0.15 -0.04 2.39 2.42 3ii0C1 GLN 419 HE21 -0.03 0.01 0.02 -0.04 6.97 6.93 3ii0C1 GLN 419 HE22 -0.01 -0.03 -0.02 -0.04 7.69 7.59