============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. HIS 1 0.900 17.120 41.715 34.686 -99.200 -91.000 TYR 51 0.840 41.497 16.050 4.024 -99.200 -91.000 TYR 63 0.840 35.867 15.523 -18.890 -99.200 -91.000 PHE 65 1.000 38.773 25.387 -15.196 -99.200 -91.000 HIS 80 0.900 31.664 39.662 -8.968 -99.200 -91.000 PHE 97 1.000 44.310 43.026 -14.595 -99.200 -91.000 TRP 105 1.040 31.100 39.589 -16.673 -99.200 -91.000 TRP6 105 1.020 30.338 39.597 -14.419 -99.200 -91.000 HIS 119 0.900 48.585 50.208 -18.097 -99.200 -91.000 HIS 128 0.900 35.990 40.007 -31.789 -99.200 -91.000 TYR 129 0.840 38.948 43.704 -25.919 -99.200 -91.000 HIS 141 0.900 49.559 49.823 -21.967 -99.200 -91.000 PHE 147 1.000 39.145 39.624 -17.066 -99.200 -91.000 HIS 150 0.900 35.723 30.873 -23.914 -99.200 -91.000 PHE 164 1.000 43.529 36.712 -28.278 -99.200 -91.000 HIS 169 0.900 52.108 31.777 -22.240 -99.200 -91.000 TYR 171 0.840 54.529 41.786 -26.916 -99.200 -91.000 TYR 189 0.840 39.758 22.303 -26.799 -99.200 -91.000 TYR 199 0.840 37.492 34.147 -13.216 -99.200 -91.000 PHE 217 1.000 45.948 30.222 -9.618 -99.200 -91.000 TYR 226 0.840 53.329 28.067 -4.172 -99.200 -91.000 PHE 233 1.000 47.600 44.233 -0.940 -99.200 -91.000 PHE 235 1.000 44.807 33.361 6.855 -99.200 -91.000 TYR 236 0.840 37.205 32.961 2.548 -99.200 -91.000 TRP 241 1.040 47.766 30.214 4.892 -99.200 -91.000 TRP6 241 1.020 47.619 28.962 6.888 -99.200 -91.000 PHE 245 1.000 41.283 21.902 3.751 -99.200 -91.000 TRP 246 1.040 40.833 23.212 -1.996 -99.200 -91.000 TRP6 246 1.020 39.011 21.960 -2.833 -99.200 -91.000 TYR 255 0.840 40.888 25.716 10.299 -99.200 -91.000 HIS 256 0.900 42.921 29.381 4.208 -99.200 -91.000 HIS 257 0.900 38.528 27.988 3.459 -99.200 -91.000 TYR 265 0.840 28.250 16.243 1.311 -99.200 -91.000 TRP 283 1.040 32.231 21.889 -25.199 -99.200 -91.000 TRP6 283 1.020 34.337 21.041 -25.892 -99.200 -91.000 HIS 286 0.900 25.259 24.060 -22.928 -99.200 -91.000 TYR 292 0.840 13.777 25.121 -31.493 -99.200 -91.000 HIS 294 0.900 21.241 32.365 -31.290 -99.200 -91.000 PHE 305 1.000 24.310 44.560 -28.021 -99.200 -91.000 TYR 325 0.840 7.204 46.165 -27.236 -99.200 -91.000 TRP 327 1.040 14.877 47.462 -19.455 -99.200 -91.000 TRP6 327 1.020 15.292 46.010 -17.646 -99.200 -91.000 TYR 333 0.840 2.634 39.604 -20.247 -99.200 -91.000 HIS 337 0.900 0.964 38.448 -16.953 -99.200 -91.000 PHE 338 1.000 3.734 33.633 -20.461 -99.200 -91.000 HIS 381 0.900 -1.447 39.799 -24.199 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1h0cA1 HIS 4 HA -0.00 -0.03 0.20 -0.75 4.63 4.04 1h0cA1 HIS 4 HB2 -0.00 -0.02 0.05 -0.04 3.26 3.25 1h0cA1 HIS 4 HB3 -0.00 -0.05 -0.00 -0.04 3.20 3.11 1h0cA1 HIS 4 HD2 -0.00 -0.01 -0.19 -0.04 6.97 6.72 1h0cA1 HIS 4 HE1 -0.00 -0.01 -0.00 -0.04 7.75 7.69 1h0cA1 LYS 5 H 0.09 0.00 0.03 -0.55 8.42 7.99 1h0cA1 LYS 5 HA 0.08 0.07 0.33 -0.75 4.32 4.04 1h0cA1 LYS 5 HB2 0.03 0.08 -0.03 -0.04 1.87 1.90 1h0cA1 LYS 5 HB3 0.03 -0.10 0.16 -0.04 1.79 1.85 1h0cA1 LYS 5 HG2 0.03 0.00 0.02 -0.04 1.46 1.47 1h0cA1 LYS 5 HG3 0.07 -0.02 0.01 -0.04 1.46 1.47 1h0cA1 LYS 5 HD2 0.07 0.00 0.12 -0.04 1.69 1.84 1h0cA1 LYS 5 HD3 0.03 0.01 0.01 -0.04 1.68 1.68 1h0cA1 LYS 5 HE2 0.02 -0.02 0.01 -0.04 2.99 2.95 1h0cA1 LYS 5 HE3 0.04 -0.03 0.01 -0.04 2.99 2.96 1h0cA1 LEU 6 H 0.02 0.14 0.11 -0.55 8.37 8.10 1h0cA1 LEU 6 HA -0.00 0.12 0.76 -0.75 4.35 4.47 1h0cA1 LEU 6 HB2 0.01 -0.00 0.11 -0.04 1.64 1.72 1h0cA1 LEU 6 HB3 0.00 0.06 0.01 -0.04 1.64 1.67 1h0cA1 LEU 6 HG 0.01 -0.03 -0.02 -0.04 1.64 1.56 1h0cA1 LEU 6 HD13 0.00 0.00 0.02 -0.04 0.93 0.91 1h0cA1 LEU 6 HD23 -0.01 0.02 0.00 -0.04 0.89 0.86 1h0cA1 LEU 7 H -0.00 0.15 0.08 -0.55 8.37 8.05 1h0cA1 LEU 7 HA 0.00 0.07 0.34 -0.75 4.35 4.00 1h0cA1 LEU 7 HB2 -0.00 -0.07 0.14 -0.04 1.64 1.66 1h0cA1 LEU 7 HB3 -0.00 0.00 -0.03 -0.04 1.64 1.57 1h0cA1 LEU 7 HG -0.00 0.05 0.04 -0.04 1.64 1.68 1h0cA1 LEU 7 HD13 -0.00 -0.00 0.01 -0.04 0.93 0.89 1h0cA1 LEU 7 HD23 0.00 0.00 -0.03 -0.04 0.89 0.82 1h0cA1 VAL 8 H -0.00 0.03 -0.05 -0.55 8.24 7.67 1h0cA1 VAL 8 HA -0.00 0.15 0.76 -0.75 4.13 4.28 1h0cA1 VAL 8 HB -0.00 -0.01 -0.02 -0.04 2.12 2.05 1h0cA1 VAL 8 HG13 -0.00 0.05 -0.04 -0.04 0.97 0.94 1h0cA1 VAL 8 HG23 -0.00 -0.01 -0.02 -0.04 0.95 0.87 1h0cA1 THR 9 H 0.00 0.11 0.14 -0.55 8.28 7.99 1h0cA1 THR 9 HA 0.00 0.19 0.76 -0.75 4.39 4.58 1h0cA1 THR 9 HB 0.00 0.05 0.03 -0.04 4.32 4.37 1h0cA1 THR 9 HG23 0.00 0.01 -0.05 -0.04 1.22 1.15 1h0cA1 PRO 10 HA 0.00 0.07 0.34 -0.51 4.44 4.35 1h0cA1 PRO 10 HB2 0.00 -0.01 0.04 -0.04 2.28 2.27 1h0cA1 PRO 10 HB3 0.00 0.06 0.03 -0.04 2.02 2.07 1h0cA1 PRO 10 HG2 0.00 0.03 0.07 -0.04 2.03 2.08 1h0cA1 PRO 10 HG3 0.00 0.05 0.07 -0.04 2.03 2.11 1h0cA1 PRO 10 HD2 0.00 0.07 0.15 -0.04 3.68 3.86 1h0cA1 PRO 10 HD3 0.00 0.15 0.22 -0.04 3.65 3.98 1h0cA1 PRO 11 HA -0.00 0.04 0.49 -0.51 4.44 4.46 1h0cA1 PRO 11 HB2 0.00 -0.10 0.10 -0.04 2.28 2.24 1h0cA1 PRO 11 HB3 -0.00 0.01 0.11 -0.04 2.02 2.10 1h0cA1 PRO 11 HG2 -0.00 0.03 0.08 -0.04 2.03 2.10 1h0cA1 PRO 11 HG3 -0.00 0.09 0.10 -0.04 2.03 2.17 1h0cA1 PRO 11 HD2 -0.00 0.07 0.16 -0.04 3.68 3.88 1h0cA1 PRO 11 HD3 -0.00 0.15 0.14 -0.04 3.65 3.90 1h0cA1 LYS 12 H -0.00 0.15 0.21 -0.55 8.42 8.22 1h0cA1 LYS 12 HA 0.00 0.14 0.35 -0.75 4.32 4.05 1h0cA1 LYS 12 HB2 -0.00 -0.07 0.12 -0.04 1.87 1.88 1h0cA1 LYS 12 HB3 -0.00 0.04 -0.03 -0.04 1.79 1.76 1h0cA1 LYS 12 HG2 -0.00 0.01 0.03 -0.04 1.46 1.46 1h0cA1 LYS 12 HG3 -0.00 0.06 0.06 -0.04 1.46 1.54 1h0cA1 LYS 12 HD2 -0.00 0.03 0.12 -0.04 1.69 1.80 1h0cA1 LYS 12 HD3 -0.00 -0.03 0.08 -0.04 1.68 1.69 1h0cA1 LYS 12 HE2 -0.00 -0.01 0.02 -0.04 2.99 2.96 1h0cA1 LYS 12 HE3 -0.00 0.03 0.01 -0.04 2.99 3.00 1h0cA1 ALA 13 H -0.00 0.06 -0.12 -0.55 8.40 7.79 1h0cA1 ALA 13 HA 0.00 0.10 0.40 -0.75 4.34 4.09 1h0cA1 ALA 13 HB3 0.00 0.01 0.03 -0.04 1.41 1.41 1h0cA1 LEU 14 H 0.00 0.15 -0.39 -0.55 8.37 7.58 1h0cA1 LEU 14 HA 0.00 0.10 0.43 -0.75 4.35 4.13 1h0cA1 LEU 14 HB2 0.00 0.17 0.04 -0.04 1.64 1.81 1h0cA1 LEU 14 HB3 0.00 0.00 0.02 -0.04 1.64 1.62 1h0cA1 LEU 14 HG 0.00 -0.10 -0.01 -0.04 1.64 1.49 1h0cA1 LEU 14 HD13 0.00 -0.01 0.02 -0.04 0.93 0.90 1h0cA1 LEU 14 HD23 0.00 0.01 -0.02 -0.04 0.89 0.85 1h0cA1 LEU 15 H 0.00 0.32 -0.41 -0.55 8.37 7.74 1h0cA1 LEU 15 HA 0.00 0.04 0.49 -0.75 4.35 4.13 1h0cA1 LEU 15 HB2 0.00 0.16 0.10 -0.04 1.64 1.86 1h0cA1 LEU 15 HB3 0.00 -0.08 0.11 -0.04 1.64 1.63 1h0cA1 LEU 15 HG 0.00 0.15 -0.12 -0.04 1.64 1.62 1h0cA1 LEU 15 HD13 0.00 -0.03 -0.06 -0.04 0.93 0.80 1h0cA1 LEU 15 HD23 0.00 -0.01 -0.08 -0.04 0.89 0.76 1h0cA1 LYS 16 H 0.00 0.22 -0.65 -0.55 8.42 7.44 1h0cA1 LYS 16 HA 0.00 0.10 0.76 -0.75 4.32 4.42 1h0cA1 LYS 16 HB2 0.00 0.19 0.08 -0.04 1.87 2.10 1h0cA1 LYS 16 HB3 0.00 0.03 0.10 -0.04 1.79 1.89 1h0cA1 LYS 16 HG2 0.00 -0.03 -0.03 -0.04 1.46 1.36 1h0cA1 LYS 16 HG3 0.00 0.03 -0.06 -0.04 1.46 1.39 1h0cA1 LYS 16 HD2 -0.00 -0.04 0.02 -0.04 1.69 1.63 1h0cA1 LYS 16 HD3 -0.00 0.03 0.02 -0.04 1.68 1.68 1h0cA1 LYS 16 HE2 -0.00 -0.00 -0.02 -0.04 2.99 2.92 1h0cA1 LYS 16 HE3 -0.00 -0.05 -0.05 -0.04 2.99 2.84 1h0cA1 PRO 17 HA 0.00 0.06 0.53 -0.51 4.44 4.53 1h0cA1 PRO 17 HB2 0.00 0.03 -0.09 -0.04 2.28 2.19 1h0cA1 PRO 17 HB3 0.00 0.00 0.07 -0.04 2.02 2.05 1h0cA1 PRO 17 HG2 0.00 0.00 0.05 -0.04 2.03 2.04 1h0cA1 PRO 17 HG3 0.00 0.05 0.03 -0.04 2.03 2.08 1h0cA1 PRO 17 HD2 0.00 0.07 0.17 -0.04 3.68 3.89 1h0cA1 PRO 17 HD3 0.00 0.13 0.23 -0.04 3.65 3.97 1h0cA1 LEU 18 H 0.01 0.09 0.14 -0.55 8.37 8.05 1h0cA1 LEU 18 HA 0.01 0.07 0.48 -0.75 4.35 4.15 1h0cA1 LEU 18 HB2 0.01 0.02 0.14 -0.04 1.64 1.77 1h0cA1 LEU 18 HB3 0.01 -0.03 0.14 -0.04 1.64 1.72 1h0cA1 LEU 18 HG 0.01 0.00 0.00 -0.04 1.64 1.61 1h0cA1 LEU 18 HD13 0.01 -0.01 -0.03 -0.04 0.93 0.86 1h0cA1 LEU 18 HD23 0.01 -0.01 -0.14 -0.04 0.89 0.70 1h0cA1 SER 19 H 0.00 0.20 0.13 -0.55 8.46 8.25 1h0cA1 SER 19 HA 0.01 0.17 0.92 -0.75 4.49 4.84 1h0cA1 SER 19 HB2 0.00 0.05 -0.18 -0.04 3.95 3.78 1h0cA1 SER 19 HB3 0.00 -0.02 0.08 -0.04 3.93 3.95 1h0cA1 ILE 20 H 0.01 0.18 0.06 -0.55 8.25 7.95 1h0cA1 ILE 20 HA 0.01 0.29 1.17 -0.75 4.18 4.89 1h0cA1 ILE 20 HB 0.01 0.06 0.04 -0.04 1.89 1.96 1h0cA1 ILE 20 HG12 0.01 -0.04 -0.01 -0.04 1.49 1.41 1h0cA1 ILE 20 HG13 0.01 -0.03 0.09 -0.04 1.21 1.24 1h0cA1 ILE 20 HG23 0.01 -0.01 -0.20 -0.04 0.93 0.69 1h0cA1 ILE 20 HD13 0.02 0.06 -0.06 -0.04 0.88 0.85 1h0cA1 PRO 21 HA 0.00 0.04 0.41 -0.51 4.44 4.38 1h0cA1 PRO 21 HB2 0.00 0.11 -0.08 -0.04 2.28 2.27 1h0cA1 PRO 21 HB3 -0.00 0.02 0.07 -0.04 2.02 2.07 1h0cA1 PRO 21 HG2 0.01 0.00 -0.06 -0.04 2.03 1.94 1h0cA1 PRO 21 HG3 0.01 0.03 0.02 -0.04 2.03 2.05 1h0cA1 PRO 21 HD2 0.01 0.04 0.21 -0.04 3.68 3.90 1h0cA1 PRO 21 HD3 0.01 0.19 0.21 -0.04 3.65 4.01 1h0cA1 ASN 22 H 0.01 0.15 0.15 -0.55 8.53 8.29 1h0cA1 ASN 22 HA 0.02 0.12 0.81 -0.75 4.76 4.96 1h0cA1 GLN 23 H 0.02 0.21 0.11 -0.55 8.47 8.27 1h0cA1 GLN 23 HA 0.03 0.37 0.89 -0.75 4.36 4.89 1h0cA1 GLN 23 HB2 0.03 -0.08 -0.08 -0.04 2.15 1.98 1h0cA1 GLN 23 HB3 0.03 0.04 -0.08 -0.04 2.02 1.97 1h0cA1 GLN 23 HG2 0.02 0.09 -0.30 -0.04 2.40 2.17 1h0cA1 GLN 23 HG3 0.02 0.03 -0.40 -0.04 2.39 2.00 1h0cA1 GLN 23 HE21 0.02 -0.04 -0.07 -0.04 6.97 6.84 1h0cA1 GLN 23 HE22 0.01 0.02 -0.10 -0.04 7.69 7.58 1h0cA1 LEU 24 H 0.05 0.78 0.32 -0.55 8.37 8.96 1h0cA1 LEU 24 HA 0.04 0.04 0.73 -0.75 4.35 4.40 1h0cA1 LEU 24 HB2 0.04 0.03 0.07 -0.04 1.64 1.74 1h0cA1 LEU 24 HB3 0.05 0.04 0.22 -0.04 1.64 1.91 1h0cA1 LEU 24 HG 0.04 0.01 -0.15 -0.04 1.64 1.50 1h0cA1 LEU 24 HD13 0.03 -0.02 0.01 -0.04 0.93 0.92 1h0cA1 LEU 24 HD23 0.04 -0.01 -0.02 -0.04 0.89 0.87 1h0cA1 LEU 25 H 0.04 0.16 0.13 -0.55 8.37 8.16 1h0cA1 LEU 25 HA 0.04 0.03 0.66 -0.75 4.35 4.33 1h0cA1 LEU 25 HB2 0.04 -0.18 0.23 -0.04 1.64 1.68 1h0cA1 LEU 25 HB3 0.04 0.18 0.07 -0.04 1.64 1.90 1h0cA1 LEU 25 HG 0.04 0.08 -0.07 -0.04 1.64 1.65 1h0cA1 LEU 25 HD13 0.04 0.01 -0.26 -0.04 0.93 0.68 1h0cA1 LEU 25 HD23 0.04 -0.01 -0.23 -0.04 0.89 0.65 1h0cA1 LEU 26 H 0.04 0.45 0.33 -0.55 8.37 8.65 1h0cA1 LEU 26 HA 0.04 0.23 1.01 -0.75 4.35 4.87 1h0cA1 LEU 26 HB2 0.03 0.10 0.19 -0.04 1.64 1.93 1h0cA1 LEU 26 HB3 0.03 0.01 0.28 -0.04 1.64 1.92 1h0cA1 LEU 26 HG 0.04 -0.04 -0.34 -0.04 1.64 1.25 1h0cA1 LEU 26 HD13 0.02 -0.02 0.00 -0.04 0.93 0.89 1h0cA1 LEU 26 HD23 0.03 0.07 -0.06 -0.04 0.89 0.89 1h0cA1 GLY 27 H 0.05 0.07 -0.12 -0.55 8.43 7.88 1h0cA1 GLY 27 HA2 0.04 0.21 0.90 -0.51 4.01 4.65 1h0cA1 GLY 27 HA3 0.05 0.01 0.23 -0.51 4.01 3.79 1h0cA1 PRO 28 HA 0.05 0.13 0.33 -0.51 4.44 4.44 1h0cA1 PRO 28 HB2 0.10 -0.10 0.04 -0.04 2.28 2.28 1h0cA1 PRO 28 HB3 0.06 0.08 0.01 -0.04 2.02 2.13 1h0cA1 PRO 28 HG2 0.08 0.07 -0.06 -0.04 2.03 2.08 1h0cA1 PRO 28 HG3 0.05 0.06 -0.02 -0.04 2.03 2.08 1h0cA1 PRO 28 HD2 0.05 0.07 0.14 -0.04 3.68 3.90 1h0cA1 PRO 28 HD3 0.03 0.16 0.02 -0.04 3.65 3.82 1h0cA1 GLY 29 H 0.05 0.08 -0.84 -0.55 8.43 7.18 1h0cA1 GLY 29 HA2 0.05 0.05 -0.02 -0.51 4.01 3.58 1h0cA1 GLY 29 HA3 0.05 0.06 0.75 -0.51 4.01 4.37 1h0cA1 PRO 30 HA 0.05 0.13 0.35 -0.51 4.44 4.45 1h0cA1 PRO 30 HB2 0.04 0.16 -0.02 -0.04 2.28 2.42 1h0cA1 PRO 30 HB3 0.04 -0.04 0.16 -0.04 2.02 2.13 1h0cA1 PRO 30 HG2 0.05 0.06 0.05 -0.04 2.03 2.14 1h0cA1 PRO 30 HG3 0.05 -0.06 0.06 -0.04 2.03 2.04 1h0cA1 PRO 30 HD2 0.05 0.07 0.07 -0.04 3.68 3.83 1h0cA1 PRO 30 HD3 0.06 0.13 0.51 -0.04 3.65 4.31 1h0cA1 SER 31 H 0.04 0.34 0.23 -0.55 8.46 8.53 1h0cA1 SER 31 HA 0.04 0.19 0.95 -0.75 4.49 4.91 1h0cA1 SER 31 HB2 0.05 -0.01 0.10 -0.04 3.95 4.05 1h0cA1 SER 31 HB3 0.05 -0.06 -0.05 -0.04 3.93 3.82 1h0cA1 ASN 32 H 0.04 0.14 0.19 -0.55 8.53 8.36 1h0cA1 ASN 32 HA 0.03 0.05 0.43 -0.75 4.76 4.52 1h0cA1 ASN 32 HB2 0.03 -0.01 0.11 -0.04 2.88 2.97 1h0cA1 ASN 32 HB3 0.03 0.05 0.00 -0.04 2.79 2.83 1h0cA1 ASN 32 HD21 0.03 0.35 0.21 -0.04 7.03 7.58 1h0cA1 ASN 32 HD22 0.03 -0.03 0.12 -0.04 7.74 7.82 1h0cA1 LEU 33 H 0.03 0.11 0.16 -0.55 8.37 8.12 1h0cA1 LEU 33 HA 0.03 0.34 0.97 -0.75 4.35 4.94 1h0cA1 LEU 33 HB2 0.03 -0.07 0.10 -0.04 1.64 1.66 1h0cA1 LEU 33 HB3 0.03 -0.01 0.03 -0.04 1.64 1.65 1h0cA1 LEU 33 HG 0.03 -0.01 -0.08 -0.04 1.64 1.54 1h0cA1 LEU 33 HD13 0.03 -0.02 -0.07 -0.04 0.93 0.83 1h0cA1 LEU 33 HD23 0.04 0.03 -0.45 -0.04 0.89 0.46 1h0cA1 PRO 34 HA 0.02 0.13 0.46 -0.51 4.44 4.54 1h0cA1 PRO 34 HB2 0.02 -0.18 0.06 -0.04 2.28 2.14 1h0cA1 PRO 34 HB3 0.02 0.06 0.16 -0.04 2.02 2.22 1h0cA1 PRO 34 HG2 0.03 0.09 0.13 -0.04 2.03 2.24 1h0cA1 PRO 34 HG3 0.02 0.02 0.12 -0.04 2.03 2.15 1h0cA1 PRO 34 HD2 0.03 0.12 0.30 -0.04 3.68 4.09 1h0cA1 PRO 34 HD3 0.03 0.34 0.37 -0.04 3.65 4.35 1h0cA1 PRO 35 HA 0.02 0.11 0.44 -0.51 4.44 4.50 1h0cA1 PRO 35 HB2 0.01 0.00 0.03 -0.04 2.28 2.28 1h0cA1 PRO 35 HB3 0.01 0.06 0.08 -0.04 2.02 2.13 1h0cA1 PRO 35 HG2 0.01 0.05 0.10 -0.04 2.03 2.15 1h0cA1 PRO 35 HG3 0.01 0.09 0.11 -0.04 2.03 2.20 1h0cA1 PRO 35 HD2 0.01 0.09 0.24 -0.04 3.68 3.98 1h0cA1 PRO 35 HD3 0.02 0.19 0.24 -0.04 3.65 4.05 1h0cA1 ARG 36 H 0.01 0.14 -0.19 -0.55 8.46 7.87 1h0cA1 ARG 36 HA 0.01 0.09 0.48 -0.75 4.34 4.17 1h0cA1 ARG 36 HB2 0.01 0.00 0.08 -0.04 1.90 1.95 1h0cA1 ARG 36 HB3 0.01 0.04 0.01 -0.04 1.80 1.83 1h0cA1 ARG 36 HG2 0.01 0.01 -0.11 -0.04 1.67 1.55 1h0cA1 ARG 36 HG3 0.01 -0.01 0.05 -0.04 1.67 1.67 1h0cA1 ARG 36 HD2 0.00 -0.01 -0.00 -0.04 3.22 3.17 1h0cA1 ARG 36 HD3 0.01 0.05 -0.01 -0.04 3.22 3.22 1h0cA1 ILE 37 H 0.03 0.22 -0.29 -0.55 8.25 7.66 1h0cA1 ILE 37 HA 0.04 0.08 0.50 -0.75 4.18 4.04 1h0cA1 ILE 37 HB 0.03 0.06 0.11 -0.04 1.89 2.05 1h0cA1 ILE 37 HG12 0.03 -0.15 0.08 -0.04 1.49 1.41 1h0cA1 ILE 37 HG13 0.03 0.36 0.14 -0.04 1.21 1.71 1h0cA1 ILE 37 HG23 0.04 0.05 0.05 -0.04 0.93 1.03 1h0cA1 ILE 37 HD13 0.03 0.01 -0.21 -0.04 0.88 0.67 1h0cA1 MET 38 H 0.03 0.42 -0.13 -0.55 8.47 8.24 1h0cA1 MET 38 HA 0.04 0.03 0.36 -0.75 4.52 4.20 1h0cA1 MET 38 HB2 0.02 0.09 0.11 -0.04 2.15 2.33 1h0cA1 MET 38 HB3 0.03 -0.01 -0.01 -0.04 2.03 1.99 1h0cA1 MET 38 HG2 0.03 -0.03 0.02 -0.04 2.63 2.61 1h0cA1 MET 38 HG3 0.03 0.01 -0.01 -0.04 2.56 2.54 1h0cA1 MET 38 HE3 0.02 -0.01 -0.00 -0.04 2.10 2.07 1h0cA1 ALA 39 H 0.03 0.42 -0.30 -0.55 8.40 8.00 1h0cA1 ALA 39 HA 0.03 0.03 0.35 -0.75 4.34 4.00 1h0cA1 ALA 39 HB3 0.01 0.02 0.06 -0.04 1.41 1.47 1h0cA1 ALA 40 H 0.04 0.36 -0.36 -0.55 8.40 7.89 1h0cA1 ALA 40 HA 0.06 -0.03 0.38 -0.75 4.34 3.99 1h0cA1 ALA 40 HB3 0.08 0.04 0.02 -0.04 1.41 1.50 1h0cA1 GLY 41 H 0.06 0.44 -0.23 -0.55 8.43 8.16 1h0cA1 GLY 41 HA2 0.08 -0.03 0.38 -0.51 4.01 3.93 1h0cA1 GLY 41 HA3 0.06 -0.00 0.30 -0.51 4.01 3.86 1h0cA1 GLY 42 H 0.06 0.34 -0.39 -0.55 8.43 7.89 1h0cA1 GLY 42 HA2 0.05 0.08 0.60 -0.51 4.01 4.22 1h0cA1 GLY 42 HA3 0.04 -0.05 0.31 -0.51 4.01 3.80 1h0cA1 LEU 43 H 0.15 0.32 -0.35 -0.55 8.37 7.94 1h0cA1 LEU 43 HA 0.07 0.04 0.64 -0.75 4.35 4.34 1h0cA1 LEU 43 HB2 0.29 0.06 0.08 -0.04 1.64 2.04 1h0cA1 LEU 43 HB3 0.04 -0.09 0.11 -0.04 1.64 1.67 1h0cA1 LEU 43 HG 0.05 0.21 0.09 -0.04 1.64 1.96 1h0cA1 LEU 43 HD13 -0.17 -0.03 0.02 -0.04 0.93 0.70 1h0cA1 LEU 43 HD23 -0.01 -0.03 -0.03 -0.04 0.89 0.78 1h0cA1 GLN 44 H 0.07 0.03 0.15 -0.55 8.47 8.18 1h0cA1 GLN 44 HA 0.07 0.10 0.44 -0.75 4.36 4.21 1h0cA1 GLN 44 HB2 0.04 0.02 0.12 -0.04 2.15 2.30 1h0cA1 GLN 44 HB3 0.05 -0.03 0.06 -0.04 2.02 2.06 1h0cA1 GLN 44 HG2 0.03 -0.02 0.04 -0.04 2.40 2.41 1h0cA1 GLN 44 HG3 0.05 0.21 0.02 -0.04 2.39 2.63 1h0cA1 GLN 44 HE21 0.02 0.01 0.04 -0.04 6.97 6.99 1h0cA1 GLN 44 HE22 0.02 0.01 0.04 -0.04 7.69 7.73 1h0cA1 MET 45 H 0.05 0.08 0.15 -0.55 8.47 8.21 1h0cA1 MET 45 HA 0.07 0.12 0.58 -0.75 4.52 4.53 1h0cA1 MET 45 HB2 -0.00 0.05 0.08 -0.04 2.15 2.24 1h0cA1 MET 45 HB3 0.02 -0.03 0.11 -0.04 2.03 2.09 1h0cA1 MET 45 HG2 -0.01 -0.03 -0.01 -0.04 2.63 2.54 1h0cA1 MET 45 HG3 -0.00 0.15 -0.08 -0.04 2.56 2.58 1h0cA1 MET 45 HE3 -0.05 0.01 0.02 -0.04 2.10 2.04 1h0cA1 ILE 46 H 0.08 0.16 0.15 -0.55 8.25 8.09 1h0cA1 ILE 46 HA 0.04 0.24 0.85 -0.75 4.18 4.55 1h0cA1 ILE 46 HB 0.02 -0.14 0.14 -0.04 1.89 1.87 1h0cA1 ILE 46 HG12 0.21 -0.00 -0.04 -0.04 1.49 1.62 1h0cA1 ILE 46 HG13 0.04 0.09 -0.27 -0.04 1.21 1.03 1h0cA1 ILE 46 HG23 0.08 0.04 -0.17 -0.04 0.93 0.84 1h0cA1 ILE 46 HD13 0.10 -0.02 -0.15 -0.04 0.88 0.77 1h0cA1 GLY 47 H -0.01 0.11 0.14 -0.55 8.43 8.12 1h0cA1 GLY 47 HA2 -0.02 0.12 0.51 -0.51 4.01 4.10 1h0cA1 GLY 47 HA3 -0.04 0.02 0.37 -0.51 4.01 3.85 1h0cA1 SER 48 H -0.02 0.20 0.22 -0.55 8.46 8.31 1h0cA1 SER 48 HA -0.01 0.10 0.40 -0.75 4.49 4.22 1h0cA1 SER 48 HB2 0.02 -0.00 0.18 -0.04 3.95 4.11 1h0cA1 SER 48 HB3 -0.01 0.06 0.19 -0.04 3.93 4.12 1h0cA1 MET 49 H -0.06 -0.07 -0.52 -0.55 8.47 7.27 1h0cA1 MET 49 HA -0.16 0.30 0.85 -0.75 4.52 4.76 1h0cA1 MET 49 HB2 0.05 -0.07 -0.02 -0.04 2.15 2.07 1h0cA1 MET 49 HB3 0.20 0.07 0.13 -0.04 2.03 2.39 1h0cA1 MET 49 HG2 0.55 0.15 -0.11 -0.04 2.63 3.18 1h0cA1 MET 49 HG3 0.16 -0.15 -0.41 -0.04 2.56 2.11 1h0cA1 MET 49 HE3 0.36 0.00 -0.07 -0.04 2.10 2.35 1h0cA1 SER 50 H -0.21 0.38 -0.15 -0.55 8.46 7.92 1h0cA1 SER 50 HA -0.16 0.16 0.53 -0.75 4.49 4.28 1h0cA1 SER 50 HB2 -0.09 -0.05 0.21 -0.04 3.95 3.98 1h0cA1 SER 50 HB3 -0.09 -0.02 0.19 -0.04 3.93 3.97 1h0cA1 LYS 51 H -0.10 0.16 0.20 -0.55 8.42 8.13 1h0cA1 LYS 51 HA -0.03 0.20 0.50 -0.75 4.32 4.23 1h0cA1 LYS 51 HB2 0.01 0.08 0.15 -0.04 1.87 2.08 1h0cA1 LYS 51 HB3 -0.02 -0.04 0.18 -0.04 1.79 1.86 1h0cA1 LYS 51 HG2 0.00 -0.02 -0.20 -0.04 1.46 1.20 1h0cA1 LYS 51 HG3 0.04 0.01 0.08 -0.04 1.46 1.55 1h0cA1 LYS 51 HD2 0.03 0.03 0.04 -0.04 1.69 1.75 1h0cA1 LYS 51 HD3 0.01 -0.00 0.01 -0.04 1.68 1.66 1h0cA1 LYS 51 HE2 0.01 -0.02 -0.02 -0.04 2.99 2.93 1h0cA1 LYS 51 HE3 0.03 0.02 0.01 -0.04 2.99 3.01 1h0cA1 ASP 52 H -0.08 0.05 -0.10 -0.55 8.40 7.72 1h0cA1 ASP 52 HA -0.03 0.13 0.42 -0.75 4.63 4.40 1h0cA1 ASP 52 HB2 -0.04 -0.06 0.03 -0.04 2.71 2.60 1h0cA1 ASP 52 HB3 -0.03 0.08 -0.04 -0.04 2.70 2.67 1h0cA1 MET 53 H -0.15 0.05 -0.31 -0.55 8.47 7.51 1h0cA1 MET 53 HA 0.00 0.06 0.45 -0.75 4.52 4.28 1h0cA1 MET 53 HB2 -0.11 0.08 0.05 -0.04 2.15 2.13 1h0cA1 MET 53 HB3 -0.34 0.13 -0.11 -0.04 2.03 1.67 1h0cA1 MET 53 HG2 -0.04 0.09 -0.02 -0.04 2.63 2.61 1h0cA1 MET 53 HG3 -0.07 0.02 -0.16 -0.04 2.56 2.31 1h0cA1 MET 53 HE3 0.05 -0.01 -0.02 -0.04 2.10 2.09 1h0cA1 TYR 54 H -0.28 0.37 -0.34 -0.55 8.29 7.49 1h0cA1 TYR 54 HA -0.21 0.09 0.38 -0.75 4.56 4.07 1h0cA1 TYR 54 HB2 -0.07 0.10 0.16 -0.04 3.06 3.21 1h0cA1 TYR 54 HB3 -0.12 0.01 0.02 -0.04 2.98 2.85 1h0cA1 TYR 54 HD2 -0.22 -0.07 -0.04 -0.04 7.15 6.78 1h0cA1 TYR 54 HE2 -0.26 -0.01 0.01 -0.04 6.85 6.55 1h0cA1 GLN 55 H 0.04 0.40 -0.15 -0.55 8.47 8.21 1h0cA1 GLN 55 HA 0.04 0.05 0.44 -0.75 4.36 4.14 1h0cA1 GLN 55 HB2 0.02 0.02 0.12 -0.04 2.15 2.27 1h0cA1 GLN 55 HB3 0.01 0.10 0.18 -0.04 2.02 2.26 1h0cA1 GLN 55 HG2 0.00 -0.02 -0.02 -0.04 2.40 2.32 1h0cA1 GLN 55 HG3 0.01 -0.00 -0.24 -0.04 2.39 2.12 1h0cA1 GLN 55 HE21 0.01 0.02 0.00 -0.04 6.97 6.96 1h0cA1 GLN 55 HE22 0.01 -0.01 -0.03 -0.04 7.69 7.62 1h0cA1 ILE 56 H 0.03 0.45 -0.24 -0.55 8.25 7.93 1h0cA1 ILE 56 HA 0.05 0.00 0.36 -0.75 4.18 3.83 1h0cA1 ILE 56 HB 0.07 0.12 0.13 -0.04 1.89 2.17 1h0cA1 ILE 56 HG12 0.01 -0.03 0.01 -0.04 1.49 1.44 1h0cA1 ILE 56 HG13 0.01 0.12 0.08 -0.04 1.21 1.38 1h0cA1 ILE 56 HG23 0.14 -0.02 -0.13 -0.04 0.93 0.89 1h0cA1 ILE 56 HD13 0.02 -0.03 -0.05 -0.04 0.88 0.78 1h0cA1 MET 57 H 0.04 0.44 -0.32 -0.55 8.47 8.08 1h0cA1 MET 57 HA 0.21 -0.05 0.42 -0.75 4.52 4.35 1h0cA1 MET 57 HB2 -0.06 0.08 0.26 -0.04 2.15 2.38 1h0cA1 MET 57 HB3 -0.16 0.06 0.01 -0.04 2.03 1.89 1h0cA1 MET 57 HG2 -1.23 -0.07 0.03 -0.04 2.63 1.32 1h0cA1 MET 57 HG3 -0.20 -0.06 -0.00 -0.04 2.56 2.26 1h0cA1 MET 57 HE3 -1.72 0.02 -0.08 -0.04 2.10 0.28 1h0cA1 ASP 58 H 0.06 0.65 -0.02 -0.55 8.40 8.55 1h0cA1 ASP 58 HA 0.11 0.10 0.54 -0.75 4.63 4.63 1h0cA1 ASP 58 HB2 0.04 0.05 0.20 -0.04 2.71 2.97 1h0cA1 ASP 58 HB3 0.04 -0.06 0.09 -0.04 2.70 2.73 1h0cA1 GLU 59 H 0.07 0.55 -0.15 -0.55 8.60 8.52 1h0cA1 GLU 59 HA 0.04 -0.01 0.34 -0.75 4.29 3.91 1h0cA1 GLU 59 HB2 0.05 0.10 0.11 -0.04 2.09 2.32 1h0cA1 GLU 59 HB3 0.02 -0.06 0.04 -0.04 1.99 1.96 1h0cA1 GLU 59 HG2 0.02 -0.06 0.04 -0.04 2.34 2.29 1h0cA1 GLU 59 HG3 0.03 0.46 0.12 -0.04 2.34 2.91 1h0cA1 ILE 60 H 0.13 0.54 -0.22 -0.55 8.25 8.15 1h0cA1 ILE 60 HA 0.06 -0.01 0.39 -0.75 4.18 3.88 1h0cA1 ILE 60 HB 0.30 0.16 0.14 -0.04 1.89 2.45 1h0cA1 ILE 60 HG12 0.11 -0.07 -0.08 -0.04 1.49 1.41 1h0cA1 ILE 60 HG13 0.13 0.09 0.06 -0.04 1.21 1.44 1h0cA1 ILE 60 HG23 0.07 -0.03 -0.16 -0.04 0.93 0.77 1h0cA1 ILE 60 HD13 0.22 0.02 -0.06 -0.04 0.88 1.02 1h0cA1 LYS 61 H 0.15 0.51 -0.27 -0.55 8.42 8.25 1h0cA1 LYS 61 HA -0.00 -0.03 0.40 -0.75 4.32 3.93 1h0cA1 LYS 61 HB2 0.14 0.15 0.31 -0.04 1.87 2.43 1h0cA1 LYS 61 HB3 0.07 -0.03 0.04 -0.04 1.79 1.83 1h0cA1 LYS 61 HG2 0.05 0.12 0.08 -0.04 1.46 1.67 1h0cA1 LYS 61 HG3 0.13 -0.19 0.08 -0.04 1.46 1.45 1h0cA1 LYS 61 HD2 0.32 0.01 0.17 -0.04 1.69 2.15 1h0cA1 LYS 61 HD3 0.31 -0.05 0.06 -0.04 1.68 1.96 1h0cA1 LYS 61 HE2 0.10 -0.12 0.08 -0.04 2.99 3.00 1h0cA1 LYS 61 HE3 0.09 -0.01 0.10 -0.04 2.99 3.12 1h0cA1 GLU 62 H 0.05 0.67 0.03 -0.55 8.60 8.80 1h0cA1 GLU 62 HA 0.04 0.01 0.39 -0.75 4.29 3.97 1h0cA1 GLU 62 HB2 0.02 0.13 0.14 -0.04 2.09 2.34 1h0cA1 GLU 62 HB3 0.02 -0.07 0.03 -0.04 1.99 1.93 1h0cA1 GLU 62 HG2 0.03 -0.02 0.05 -0.04 2.34 2.35 1h0cA1 GLU 62 HG3 0.04 0.16 0.04 -0.04 2.34 2.54 1h0cA1 GLY 63 H 0.03 0.46 -0.50 -0.55 8.43 7.87 1h0cA1 GLY 63 HA2 0.05 -0.02 0.38 -0.51 4.01 3.91 1h0cA1 GLY 63 HA3 0.01 0.06 0.28 -0.51 4.01 3.85 1h0cA1 ILE 64 H -0.07 0.62 -0.06 -0.55 8.25 8.20 1h0cA1 ILE 64 HA -0.30 -0.03 0.41 -0.75 4.18 3.51 1h0cA1 ILE 64 HB -0.21 0.15 0.02 -0.04 1.89 1.81 1h0cA1 ILE 64 HG12 -0.27 -0.11 -0.07 -0.04 1.49 0.99 1h0cA1 ILE 64 HG13 -0.14 0.43 0.05 -0.04 1.21 1.51 1h0cA1 ILE 64 HG23 -0.88 -0.04 -0.16 -0.04 0.93 -0.19 1h0cA1 ILE 64 HD13 -0.26 -0.02 -0.19 -0.04 0.88 0.37 1h0cA1 GLN 65 H -0.03 0.64 -0.16 -0.55 8.47 8.37 1h0cA1 GLN 65 HA 0.05 -0.08 0.36 -0.75 4.36 3.94 1h0cA1 GLN 65 HB2 0.05 0.10 0.17 -0.04 2.15 2.43 1h0cA1 GLN 65 HB3 0.06 0.18 0.13 -0.04 2.02 2.35 1h0cA1 GLN 65 HG2 0.04 -0.09 -0.16 -0.04 2.40 2.16 1h0cA1 GLN 65 HG3 0.01 0.19 -0.02 -0.04 2.39 2.52 1h0cA1 GLN 65 HE21 0.04 -0.03 -0.14 -0.04 6.97 6.81 1h0cA1 GLN 65 HE22 0.05 0.20 -0.32 -0.04 7.69 7.57 1h0cA1 TYR 66 H 0.13 0.55 -0.18 -0.55 8.29 8.23 1h0cA1 TYR 66 HA 0.02 0.00 0.51 -0.75 4.56 4.33 1h0cA1 TYR 66 HB2 -0.01 0.03 0.13 -0.04 3.06 3.17 1h0cA1 TYR 66 HB3 -0.03 0.16 0.19 -0.04 2.98 3.26 1h0cA1 TYR 66 HD2 -0.03 0.03 -0.02 -0.04 7.15 7.10 1h0cA1 TYR 66 HE2 -0.07 -0.01 -0.05 -0.04 6.85 6.68 1h0cA1 VAL 67 H -0.01 0.52 -0.04 -0.55 8.24 8.16 1h0cA1 VAL 67 HA -0.26 0.05 0.50 -0.75 4.13 3.66 1h0cA1 VAL 67 HB 0.01 -0.10 0.04 -0.04 2.12 2.03 1h0cA1 VAL 67 HG13 0.06 0.05 0.02 -0.04 0.97 1.05 1h0cA1 VAL 67 HG23 -0.15 0.02 -0.08 -0.04 0.95 0.69 1h0cA1 PHE 68 H 0.03 0.51 -0.31 -0.55 8.34 8.02 1h0cA1 PHE 68 HA -0.05 0.04 0.64 -0.75 4.62 4.49 1h0cA1 PHE 68 HB2 -0.02 0.28 0.03 -0.04 3.15 3.39 1h0cA1 PHE 68 HB3 -0.03 -0.15 -0.19 -0.04 3.06 2.66 1h0cA1 PHE 68 HD2 -0.05 0.03 -0.27 -0.04 7.28 6.94 1h0cA1 PHE 68 HE2 -0.08 -0.01 -0.30 -0.04 7.38 6.95 1h0cA1 PHE 68 HZ -0.07 -0.07 -0.39 -0.04 7.32 6.75 1h0cA1 GLN 69 H 0.06 0.45 -0.20 -0.55 8.47 8.24 1h0cA1 GLN 69 HA 0.05 0.07 0.45 -0.75 4.36 4.17 1h0cA1 GLN 69 HB2 0.07 0.24 0.30 -0.04 2.15 2.72 1h0cA1 GLN 69 HB3 0.15 -0.19 0.28 -0.04 2.02 2.22 1h0cA1 GLN 69 HG2 -0.10 0.22 -0.09 -0.04 2.40 2.38 1h0cA1 GLN 69 HG3 0.05 -0.04 0.06 -0.04 2.39 2.42 1h0cA1 GLN 69 HE21 -0.01 -0.08 0.07 -0.04 6.97 6.91 1h0cA1 GLN 69 HE22 -0.44 0.28 0.15 -0.04 7.69 7.64 1h0cA1 THR 70 H 0.09 0.65 0.28 -0.55 8.28 8.76 1h0cA1 THR 70 HA 0.08 0.00 0.51 -0.75 4.39 4.22 1h0cA1 THR 70 HB 0.10 0.04 -0.12 -0.04 4.32 4.29 1h0cA1 THR 70 HG23 0.17 0.04 -0.22 -0.04 1.22 1.17 1h0cA1 ARG 71 H 0.06 0.08 0.13 -0.55 8.46 8.19 1h0cA1 ARG 71 HA 0.06 0.27 0.84 -0.75 4.34 4.76 1h0cA1 ARG 71 HB2 0.04 -0.03 0.02 -0.04 1.90 1.90 1h0cA1 ARG 71 HB3 0.04 0.06 0.13 -0.04 1.80 1.98 1h0cA1 ARG 71 HG2 0.06 0.09 -0.38 -0.04 1.67 1.40 1h0cA1 ARG 71 HG3 0.05 -0.05 -0.12 -0.04 1.67 1.50 1h0cA1 ARG 71 HD2 0.04 -0.01 -0.02 -0.04 3.22 3.19 1h0cA1 ARG 71 HD3 0.04 0.05 -0.00 -0.04 3.22 3.26 1h0cA1 ASN 72 H 0.07 -0.09 -0.05 -0.55 8.53 7.92 1h0cA1 ASN 72 HA 0.06 0.03 0.35 -0.75 4.76 4.45 1h0cA1 ASN 72 HB2 0.09 -0.04 -0.10 -0.04 2.88 2.79 1h0cA1 ASN 72 HB3 0.10 0.23 -0.06 -0.04 2.79 3.01 1h0cA1 ASN 72 HD21 0.07 -0.01 -0.24 -0.04 7.03 6.81 1h0cA1 ASN 72 HD22 0.08 -0.01 -0.47 -0.04 7.74 7.30 1h0cA1 PRO 73 HA 0.04 0.13 0.52 -0.51 4.44 4.63 1h0cA1 PRO 73 HB2 0.02 0.00 0.08 -0.04 2.28 2.34 1h0cA1 PRO 73 HB3 0.02 0.10 0.15 -0.04 2.02 2.25 1h0cA1 PRO 73 HG2 0.01 -0.00 0.10 -0.04 2.03 2.10 1h0cA1 PRO 73 HG3 0.02 0.09 0.11 -0.04 2.03 2.22 1h0cA1 PRO 73 HD2 0.04 0.02 0.23 -0.04 3.68 3.93 1h0cA1 PRO 73 HD3 0.04 0.08 0.20 -0.04 3.65 3.92 1h0cA1 LEU 74 H 0.09 0.09 -0.19 -0.55 8.37 7.82 1h0cA1 LEU 74 HA 0.12 0.19 0.62 -0.75 4.35 4.52 1h0cA1 LEU 74 HB2 0.11 0.01 0.02 -0.04 1.64 1.74 1h0cA1 LEU 74 HB3 0.22 0.02 0.16 -0.04 1.64 2.00 1h0cA1 LEU 74 HG 0.46 -0.07 -0.07 -0.04 1.64 1.91 1h0cA1 LEU 74 HD13 0.14 0.03 -0.10 -0.04 0.93 0.95 1h0cA1 LEU 74 HD23 0.02 -0.00 -0.08 -0.04 0.89 0.79 1h0cA1 THR 75 H 0.07 0.69 -0.05 -0.55 8.28 8.44 1h0cA1 THR 75 HA 0.02 0.15 0.91 -0.75 4.39 4.71 1h0cA1 THR 75 HB 0.02 0.07 0.01 -0.04 4.32 4.37 1h0cA1 THR 75 HG23 -0.07 -0.02 -0.13 -0.04 1.22 0.96 1h0cA1 LEU 76 H -0.16 0.60 0.28 -0.55 8.37 8.54 1h0cA1 LEU 76 HA -0.53 0.09 0.44 -0.75 4.35 3.60 1h0cA1 LEU 76 HB2 -1.87 -0.10 0.12 -0.04 1.64 -0.25 1h0cA1 LEU 76 HB3 -0.32 0.26 -0.06 -0.04 1.64 1.48 1h0cA1 LEU 76 HG -0.11 -0.07 -0.39 -0.04 1.64 1.02 1h0cA1 LEU 76 HD13 -0.31 0.01 -0.49 -0.04 0.93 0.10 1h0cA1 LEU 76 HD23 0.01 0.02 -0.31 -0.04 0.89 0.57 1h0cA1 VAL 77 H -2.11 0.17 0.14 -0.55 8.24 5.90 1h0cA1 VAL 77 HA -0.30 0.27 0.92 -0.75 4.13 4.26 1h0cA1 VAL 77 HB -0.29 -0.03 0.06 -0.04 2.12 1.82 1h0cA1 VAL 77 HG13 0.07 -0.00 -0.15 -0.04 0.97 0.85 1h0cA1 VAL 77 HG23 -0.26 -0.00 -0.08 -0.04 0.95 0.56 1h0cA1 ILE 78 H -0.08 0.67 0.28 -0.55 8.25 8.57 1h0cA1 ILE 78 HA -0.03 0.17 0.76 -0.75 4.18 4.33 1h0cA1 ILE 78 HB -0.01 -0.07 -0.06 -0.04 1.89 1.71 1h0cA1 ILE 78 HG12 -0.06 0.02 -0.25 -0.04 1.49 1.15 1h0cA1 ILE 78 HG13 -0.03 -0.02 -0.16 -0.04 1.21 0.96 1h0cA1 ILE 78 HG23 -0.00 0.00 -0.47 -0.04 0.93 0.41 1h0cA1 ILE 78 HD13 -0.03 0.04 -0.18 -0.04 0.88 0.66 1h0cA1 SER 79 H 0.05 0.22 0.00 -0.55 8.46 8.18 1h0cA1 SER 79 HA 0.17 0.08 0.50 -0.75 4.49 4.49 1h0cA1 SER 79 HB2 0.11 -0.00 0.22 -0.04 3.95 4.24 1h0cA1 SER 79 HB3 0.27 0.01 0.15 -0.04 3.93 4.32 1h0cA1 GLY 80 H 0.09 0.78 0.04 -0.55 8.43 8.80 1h0cA1 GLY 80 HA2 0.13 0.07 0.35 -0.51 4.01 4.05 1h0cA1 GLY 80 HA3 0.13 -0.06 0.23 -0.51 4.01 3.80 1h0cA1 SER 81 H 0.09 0.06 0.03 -0.55 8.46 8.10 1h0cA1 SER 81 HA 0.07 0.15 0.34 -0.75 4.49 4.31 1h0cA1 SER 81 HB2 0.09 -0.01 0.15 -0.04 3.95 4.14 1h0cA1 SER 81 HB3 0.08 0.13 0.09 -0.04 3.93 4.19 1h0cA1 GLY 82 H 0.08 0.15 0.12 -0.55 8.43 8.23 1h0cA1 GLY 82 HA2 0.08 0.14 0.29 -0.51 4.01 4.00 1h0cA1 GLY 82 HA3 0.02 0.04 0.29 -0.51 4.01 3.85 1h0cA1 HIS 83 H 0.29 0.13 -0.14 -0.55 8.41 8.15 1h0cA1 HIS 83 HA 0.03 0.05 0.32 -0.75 4.63 4.28 1h0cA1 HIS 83 HB2 0.06 -0.04 -0.01 -0.04 3.26 3.23 1h0cA1 HIS 83 HB3 0.05 0.09 -0.14 -0.04 3.20 3.16 1h0cA1 HIS 83 HD2 0.12 0.06 -0.05 -0.04 6.97 7.06 1h0cA1 HIS 83 HE1 0.55 0.03 -0.05 -0.04 7.75 8.23 1h0cA1 CYS 84 H 0.13 0.07 -0.44 -0.55 8.50 7.71 1h0cA1 CYS 84 HA 0.06 0.04 0.26 -0.75 4.58 4.20 1h0cA1 CYS 84 HB2 0.10 -0.14 -0.01 -0.04 2.97 2.88 1h0cA1 CYS 84 HB3 0.07 0.19 -0.26 -0.04 2.97 2.93 1h0cA1 ALA 85 H -0.05 0.41 -0.49 -0.55 8.40 7.73 1h0cA1 ALA 85 HA -0.08 0.11 0.46 -0.75 4.34 4.07 1h0cA1 ALA 85 HB3 -0.06 0.02 -0.06 -0.04 1.41 1.27 1h0cA1 LEU 86 H -0.42 0.37 -0.06 -0.55 8.37 7.72 1h0cA1 LEU 86 HA -0.78 0.03 0.33 -0.75 4.35 3.18 1h0cA1 LEU 86 HB2 -0.42 -0.08 0.01 -0.04 1.64 1.11 1h0cA1 LEU 86 HB3 -0.19 0.10 0.15 -0.04 1.64 1.66 1h0cA1 LEU 86 HG -0.09 0.05 -0.29 -0.04 1.64 1.27 1h0cA1 LEU 86 HD13 0.02 -0.01 -0.06 -0.04 0.93 0.83 1h0cA1 LEU 86 HD23 -0.04 -0.03 -0.15 -0.04 0.89 0.64 1h0cA1 GLU 87 H -0.08 0.75 -0.08 -0.55 8.60 8.64 1h0cA1 GLU 87 HA -0.03 0.01 0.29 -0.75 4.29 3.81 1h0cA1 GLU 87 HB2 0.03 -0.02 -0.02 -0.04 2.09 2.04 1h0cA1 GLU 87 HB3 0.02 0.04 0.01 -0.04 1.99 2.02 1h0cA1 GLU 87 HG2 0.04 0.01 -0.19 -0.04 2.34 2.16 1h0cA1 GLU 87 HG3 0.03 -0.00 -0.06 -0.04 2.34 2.27 1h0cA1 ALA 88 H -0.04 0.48 -0.39 -0.55 8.40 7.91 1h0cA1 ALA 88 HA 0.00 -0.00 0.29 -0.75 4.34 3.88 1h0cA1 ALA 88 HB3 0.00 0.02 0.03 -0.04 1.41 1.42 1h0cA1 ALA 89 H -0.07 0.39 -0.54 -0.55 8.40 7.64 1h0cA1 ALA 89 HA 0.23 0.02 0.33 -0.75 4.34 4.18 1h0cA1 ALA 89 HB3 -0.01 -0.00 0.04 -0.04 1.41 1.39 1h0cA1 LEU 90 H -0.05 0.59 0.02 -0.55 8.37 8.39 1h0cA1 LEU 90 HA -0.13 -0.01 0.39 -0.75 4.35 3.85 1h0cA1 LEU 90 HB2 -0.07 0.00 0.02 -0.04 1.64 1.55 1h0cA1 LEU 90 HB3 -0.19 0.03 -0.11 -0.04 1.64 1.33 1h0cA1 LEU 90 HG -0.07 0.09 -0.04 -0.04 1.64 1.58 1h0cA1 LEU 90 HD13 -0.07 -0.03 -0.08 -0.04 0.93 0.71 1h0cA1 LEU 90 HD23 -0.28 -0.02 -0.11 -0.04 0.89 0.44 1h0cA1 VAL 91 H -0.03 0.65 -0.09 -0.55 8.24 8.22 1h0cA1 VAL 91 HA -0.02 0.11 0.31 -0.75 4.13 3.78 1h0cA1 VAL 91 HB -0.00 0.06 -0.06 -0.04 2.12 2.08 1h0cA1 VAL 91 HG13 0.02 -0.03 -0.00 -0.04 0.97 0.92 1h0cA1 VAL 91 HG23 0.05 0.00 -0.04 -0.04 0.95 0.93 1h0cA1 ASN 92 H -0.04 0.27 -0.55 -0.55 8.53 7.66 1h0cA1 ASN 92 HA -0.12 0.19 0.99 -0.75 4.76 5.07 1h0cA1 ASN 92 HB2 -0.09 0.18 0.10 -0.04 2.88 3.03 1h0cA1 ASN 92 HB3 -0.20 -0.05 0.05 -0.04 2.79 2.55 1h0cA1 ASN 92 HD21 -0.06 0.08 -0.10 -0.04 7.03 6.91 1h0cA1 ASN 92 HD22 -0.04 0.11 -0.08 -0.04 7.74 7.69 1h0cA1 VAL 93 H -0.05 0.21 -0.07 -0.55 8.24 7.77 1h0cA1 VAL 93 HA -0.06 0.12 0.65 -0.75 4.13 4.09 1h0cA1 VAL 93 HB -0.03 -0.04 0.12 -0.04 2.12 2.13 1h0cA1 VAL 93 HG13 0.00 -0.03 -0.15 -0.04 0.97 0.75 1h0cA1 VAL 93 HG23 0.07 -0.00 -0.03 -0.04 0.95 0.94 1h0cA1 LEU 94 H -0.10 0.30 0.13 -0.55 8.37 8.14 1h0cA1 LEU 94 HA -0.06 0.04 0.46 -0.75 4.35 4.04 1h0cA1 LEU 94 HB2 -0.13 0.12 0.03 -0.04 1.64 1.62 1h0cA1 LEU 94 HB3 -0.09 -0.01 -0.17 -0.04 1.64 1.33 1h0cA1 LEU 94 HG -0.34 -0.08 -0.00 -0.04 1.64 1.17 1h0cA1 LEU 94 HD13 -0.73 -0.04 -0.10 -0.04 0.93 0.03 1h0cA1 LEU 94 HD23 -0.12 0.00 -0.14 -0.04 0.89 0.59 1h0cA1 GLU 95 H -0.02 0.17 0.14 -0.55 8.60 8.34 1h0cA1 GLU 95 HA -0.06 0.14 0.64 -0.75 4.29 4.25 1h0cA1 GLU 95 HB2 -0.03 0.05 0.06 -0.04 2.09 2.13 1h0cA1 GLU 95 HB3 -0.00 0.06 -0.03 -0.04 1.99 1.97 1h0cA1 GLU 95 HG2 -0.02 -0.02 0.05 -0.04 2.34 2.31 1h0cA1 GLU 95 HG3 -0.08 0.05 0.06 -0.04 2.34 2.33 1h0cA1 PRO 96 HA 0.09 -0.12 0.50 -0.51 4.44 4.40 1h0cA1 PRO 96 HB2 0.09 -0.02 0.09 -0.04 2.28 2.41 1h0cA1 PRO 96 HB3 0.13 -0.01 0.10 -0.04 2.02 2.20 1h0cA1 PRO 96 HG2 0.28 -0.04 0.10 -0.04 2.03 2.33 1h0cA1 PRO 96 HG3 0.48 0.22 0.16 -0.04 2.03 2.85 1h0cA1 PRO 96 HD2 0.02 0.03 0.15 -0.04 3.68 3.85 1h0cA1 PRO 96 HD3 -0.04 0.18 0.22 -0.04 3.65 3.98 1h0cA1 GLY 97 H 0.05 -0.09 0.23 -0.55 8.43 8.07 1h0cA1 GLY 97 HA2 0.04 0.02 0.40 -0.51 4.01 3.96 1h0cA1 GLY 97 HA3 0.04 0.04 0.51 -0.51 4.01 4.09 1h0cA1 ASP 98 H 0.05 -0.02 0.05 -0.55 8.40 7.93 1h0cA1 ASP 98 HA 0.06 0.31 1.13 -0.75 4.63 5.37 1h0cA1 ASP 98 HB2 0.02 0.01 -0.03 -0.04 2.71 2.67 1h0cA1 ASP 98 HB3 0.04 -0.02 -0.02 -0.04 2.70 2.66 1h0cA1 SER 99 H 0.08 0.04 -0.11 -0.55 8.46 7.92 1h0cA1 SER 99 HA 0.16 0.03 0.34 -0.75 4.49 4.27 1h0cA1 SER 99 HB2 0.21 -0.02 -0.23 -0.04 3.95 3.87 1h0cA1 SER 99 HB3 0.16 0.27 0.49 -0.04 3.93 4.82 1h0cA1 PHE 100 H 0.13 0.24 0.16 -0.55 8.34 8.32 1h0cA1 PHE 100 HA 0.05 0.30 0.78 -0.75 4.62 5.00 1h0cA1 PHE 100 HB2 0.01 0.08 -0.19 -0.04 3.15 3.01 1h0cA1 PHE 100 HB3 -0.04 -0.03 0.11 -0.04 3.06 3.06 1h0cA1 PHE 100 HD2 0.01 0.16 -0.10 -0.04 7.28 7.31 1h0cA1 PHE 100 HE2 0.05 0.11 -0.25 -0.04 7.38 7.25 1h0cA1 PHE 100 HZ -0.05 -0.11 -0.15 -0.04 7.32 6.97 1h0cA1 LEU 101 H 0.13 0.56 0.29 -0.55 8.37 8.81 1h0cA1 LEU 101 HA -0.14 0.18 0.95 -0.75 4.35 4.59 1h0cA1 LEU 101 HB2 -0.01 0.09 0.01 -0.04 1.64 1.69 1h0cA1 LEU 101 HB3 -0.03 -0.05 0.14 -0.04 1.64 1.66 1h0cA1 LEU 101 HG -0.14 -0.08 -0.14 -0.04 1.64 1.24 1h0cA1 LEU 101 HD13 -0.19 0.07 0.13 -0.04 0.93 0.90 1h0cA1 LEU 101 HD23 -0.05 0.02 -0.15 -0.04 0.89 0.67 1h0cA1 VAL 102 H -0.27 0.54 0.25 -0.55 8.24 8.22 1h0cA1 VAL 102 HA -0.23 0.17 1.28 -0.75 4.13 4.59 1h0cA1 VAL 102 HB -0.28 -0.04 -0.08 -0.04 2.12 1.68 1h0cA1 VAL 102 HG13 -0.12 -0.00 -0.32 -0.04 0.97 0.48 1h0cA1 VAL 102 HG23 -1.23 0.04 -0.42 -0.04 0.95 -0.71 1h0cA1 GLY 103 H -0.01 0.82 0.30 -0.55 8.43 9.00 1h0cA1 GLY 103 HA2 -0.68 0.20 0.50 -0.51 4.01 3.51 1h0cA1 GLY 103 HA3 -0.27 -0.01 0.45 -0.51 4.01 3.67 1h0cA1 ALA 104 H -0.02 0.65 0.06 -0.55 8.40 8.54 1h0cA1 ALA 104 HA 0.13 -0.15 0.72 -0.75 4.34 4.29 1h0cA1 ALA 104 HB3 0.01 0.03 -0.13 -0.04 1.41 1.28 1h0cA1 ASN 105 H 0.23 0.19 0.04 -0.55 8.53 8.45 1h0cA1 ASN 105 HA 0.09 0.21 0.65 -0.75 4.76 4.95 1h0cA1 ASN 105 HB2 -0.03 0.11 0.04 -0.04 2.88 2.97 1h0cA1 ASN 105 HB3 -0.02 0.05 -0.23 -0.04 2.79 2.55 1h0cA1 ASN 105 HD21 0.09 -0.06 0.01 -0.04 7.03 7.03 1h0cA1 ASN 105 HD22 -0.03 0.62 0.13 -0.04 7.74 8.42 1h0cA1 GLY 106 H 0.10 0.08 0.12 -0.55 8.43 8.18 1h0cA1 GLY 106 HA2 -0.03 0.29 0.58 -0.51 4.01 4.34 1h0cA1 GLY 106 HA3 0.03 -0.04 0.32 -0.51 4.01 3.82 1h0cA1 ILE 107 H -0.35 0.26 0.16 -0.55 8.25 7.77 1h0cA1 ILE 107 HA -0.25 0.14 0.39 -0.75 4.18 3.71 1h0cA1 ILE 107 HB -0.40 0.10 0.05 -0.04 1.89 1.60 1h0cA1 ILE 107 HG12 -0.67 -0.03 -0.14 -0.04 1.49 0.62 1h0cA1 ILE 107 HG13 -0.29 0.02 0.08 -0.04 1.21 0.97 1h0cA1 ILE 107 HG23 -1.45 -0.00 -0.05 -0.04 0.93 -0.61 1h0cA1 ILE 107 HD13 -0.30 0.02 -0.06 -0.04 0.88 0.50 1h0cA1 TRP 108 H -0.47 0.01 -0.40 -0.55 7.97 6.57 1h0cA1 TRP 108 HA 0.00 0.12 0.33 -0.75 4.62 4.32 1h0cA1 TRP 108 HB2 0.16 0.01 -0.01 -0.04 3.23 3.36 1h0cA1 TRP 108 HB3 0.19 0.07 -0.04 -0.04 3.23 3.41 1h0cA1 TRP 108 HD1 0.05 -0.02 0.05 -0.04 7.22 7.26 1h0cA1 TRP 108 HE1 0.02 -0.03 0.01 -0.04 10.20 10.16 1h0cA1 TRP 108 HE3 -0.08 0.02 -0.07 -0.04 7.59 7.41 1h0cA1 TRP 108 HZ2 0.04 0.12 -0.08 -0.04 7.44 7.48 1h0cA1 TRP 108 HZ3 -0.12 0.02 -0.08 -0.04 7.13 6.91 1h0cA1 TRP 108 HH2 0.15 0.07 -0.07 -0.04 7.19 7.30 1h0cA1 GLY 109 H 0.18 0.14 -0.13 -0.55 8.43 8.06 1h0cA1 GLY 109 HA2 -0.04 0.11 0.32 -0.51 4.01 3.89 1h0cA1 GLY 109 HA3 0.12 0.08 0.18 -0.51 4.01 3.89 1h0cA1 GLN 110 H -0.02 0.30 -0.25 -0.55 8.47 7.95 1h0cA1 GLN 110 HA -0.04 0.08 0.28 -0.75 4.36 3.93 1h0cA1 GLN 110 HB2 -0.11 0.22 0.18 -0.04 2.15 2.40 1h0cA1 GLN 110 HB3 -0.06 0.01 0.03 -0.04 2.02 1.97 1h0cA1 GLN 110 HG2 -0.04 0.03 -0.04 -0.04 2.40 2.31 1h0cA1 GLN 110 HG3 -0.08 0.13 -0.05 -0.04 2.39 2.35 1h0cA1 GLN 110 HE21 -0.05 0.03 -0.04 -0.04 6.97 6.87 1h0cA1 GLN 110 HE22 -0.04 0.06 -0.07 -0.04 7.69 7.61 1h0cA1 ARG 111 H -0.03 0.45 -0.21 -0.55 8.46 8.11 1h0cA1 ARG 111 HA 0.03 0.03 0.32 -0.75 4.34 3.96 1h0cA1 ARG 111 HB2 0.17 0.06 0.08 -0.04 1.90 2.17 1h0cA1 ARG 111 HB3 0.14 -0.05 -0.03 -0.04 1.80 1.82 1h0cA1 ARG 111 HG2 -0.08 0.20 -0.01 -0.04 1.67 1.74 1h0cA1 ARG 111 HG3 0.27 -0.09 -0.07 -0.04 1.67 1.74 1h0cA1 ARG 111 HD2 0.27 -0.02 -0.03 -0.04 3.22 3.39 1h0cA1 ARG 111 HD3 0.07 0.02 -0.05 -0.04 3.22 3.22 1h0cA1 ALA 112 H -0.14 0.41 -0.32 -0.55 8.40 7.81 1h0cA1 ALA 112 HA -0.08 -0.02 0.37 -0.75 4.34 3.86 1h0cA1 ALA 112 HB3 -0.60 0.01 0.01 -0.04 1.41 0.78 1h0cA1 VAL 113 H -0.06 0.53 -0.30 -0.55 8.24 7.86 1h0cA1 VAL 113 HA 0.02 0.05 0.26 -0.75 4.13 3.70 1h0cA1 VAL 113 HB -0.03 0.07 0.11 -0.04 2.12 2.22 1h0cA1 VAL 113 HG13 -0.03 0.00 -0.19 -0.04 0.97 0.71 1h0cA1 VAL 113 HG23 -0.10 0.05 -0.11 -0.04 0.95 0.75 1h0cA1 ASP 114 H -0.00 0.43 -0.06 -0.55 8.40 8.22 1h0cA1 ASP 114 HA 0.01 0.02 0.33 -0.75 4.63 4.24 1h0cA1 ASP 114 HB2 0.00 0.08 0.11 -0.04 2.71 2.87 1h0cA1 ASP 114 HB3 0.03 0.03 0.10 -0.04 2.70 2.81 1h0cA1 ILE 115 H 0.03 0.50 -0.21 -0.55 8.25 8.02 1h0cA1 ILE 115 HA 0.03 -0.01 0.28 -0.75 4.18 3.73 1h0cA1 ILE 115 HB 0.02 0.06 0.04 -0.04 1.89 1.96 1h0cA1 ILE 115 HG12 0.05 -0.05 -0.05 -0.04 1.49 1.41 1h0cA1 ILE 115 HG13 0.05 0.12 0.05 -0.04 1.21 1.39 1h0cA1 ILE 115 HG23 0.00 -0.01 -0.18 -0.04 0.93 0.70 1h0cA1 ILE 115 HD13 0.05 -0.05 -0.14 -0.04 0.88 0.69 1h0cA1 GLY 116 H 0.10 0.49 -0.22 -0.55 8.43 8.25 1h0cA1 GLY 116 HA2 -0.02 -0.04 0.22 -0.51 4.01 3.66 1h0cA1 GLY 116 HA3 0.18 0.05 0.24 -0.51 4.01 3.97 1h0cA1 GLU 117 H 0.05 0.86 -0.10 -0.55 8.60 8.86 1h0cA1 GLU 117 HA 0.01 0.06 0.38 -0.75 4.29 3.99 1h0cA1 GLU 117 HB2 0.00 0.02 0.15 -0.04 2.09 2.23 1h0cA1 GLU 117 HB3 -0.01 -0.05 -0.00 -0.04 1.99 1.89 1h0cA1 GLU 117 HG2 -0.01 0.02 -0.04 -0.04 2.34 2.27 1h0cA1 GLU 117 HG3 0.01 0.11 -0.07 -0.04 2.34 2.34 1h0cA1 ARG 118 H 0.00 0.62 0.00 -0.55 8.46 8.54 1h0cA1 ARG 118 HA -0.04 -0.06 0.29 -0.75 4.34 3.77 1h0cA1 ARG 118 HB2 0.00 0.16 0.14 -0.04 1.90 2.17 1h0cA1 ARG 118 HB3 -0.03 -0.09 0.01 -0.04 1.80 1.64 1h0cA1 ARG 118 HG2 -0.02 -0.07 0.03 -0.04 1.67 1.57 1h0cA1 ARG 118 HG3 -0.01 0.06 0.08 -0.04 1.67 1.76 1h0cA1 ARG 118 HD2 0.01 -0.01 -0.25 -0.04 3.22 2.93 1h0cA1 ARG 118 HD3 0.00 -0.05 -0.06 -0.04 3.22 3.06 1h0cA1 ILE 119 H 0.02 0.39 -0.54 -0.55 8.25 7.57 1h0cA1 ILE 119 HA -0.07 0.17 1.02 -0.75 4.18 4.54 1h0cA1 ILE 119 HB 0.41 -0.03 0.10 -0.04 1.89 2.33 1h0cA1 ILE 119 HG12 0.03 0.15 -0.11 -0.04 1.49 1.51 1h0cA1 ILE 119 HG13 0.07 -0.02 -0.38 -0.04 1.21 0.84 1h0cA1 ILE 119 HG23 0.09 0.03 -0.16 -0.04 0.93 0.85 1h0cA1 ILE 119 HD13 -0.00 -0.02 -0.30 -0.04 0.88 0.51 1h0cA1 GLY 120 H 0.02 0.75 -0.06 -0.55 8.43 8.59 1h0cA1 GLY 120 HA2 0.02 0.05 0.27 -0.51 4.01 3.84 1h0cA1 GLY 120 HA3 0.07 0.05 0.69 -0.51 4.01 4.31 1h0cA1 VAL 123 HA -0.12 -0.14 0.45 -0.75 4.13 3.58 1h0cA1 VAL 123 HB -0.08 -0.01 -0.10 -0.04 2.12 1.90 1h0cA1 VAL 123 HG13 -0.08 -0.02 -0.22 -0.04 0.97 0.60 1h0cA1 VAL 123 HG23 0.13 0.02 -0.34 -0.04 0.95 0.72 1h0cA1 HIS 124 H -0.24 0.94 0.37 -0.55 8.41 8.94 1h0cA1 HIS 124 HA -0.14 0.28 1.10 -0.75 4.63 5.12 1h0cA1 HIS 124 HB2 -0.41 -0.07 0.19 -0.04 3.26 2.93 1h0cA1 HIS 124 HB3 -0.62 -0.02 0.04 -0.04 3.20 2.56 1h0cA1 HIS 124 HD2 -0.05 -0.08 -0.15 -0.04 6.97 6.65 1h0cA1 HIS 124 HE1 0.11 -0.00 -0.05 -0.04 7.75 7.76 1h0cA1 PRO 125 HA -0.11 0.03 0.42 -0.51 4.44 4.28 1h0cA1 PRO 125 HB2 -0.02 0.01 0.26 -0.04 2.28 2.49 1h0cA1 PRO 125 HB3 -0.04 -0.02 0.10 -0.04 2.02 2.02 1h0cA1 PRO 125 HG2 -0.04 0.05 0.07 -0.04 2.03 2.07 1h0cA1 PRO 125 HG3 -0.08 -0.01 -0.03 -0.04 2.03 1.88 1h0cA1 PRO 125 HD2 -0.02 0.11 0.21 -0.04 3.68 3.93 1h0cA1 PRO 125 HD3 -0.11 0.49 0.03 -0.04 3.65 4.02 1h0cA1 MET 126 H -0.13 0.35 0.49 -0.55 8.47 8.63 1h0cA1 MET 126 HA -0.02 0.05 0.42 -0.75 4.52 4.22 1h0cA1 MET 126 HB2 -0.14 0.02 0.14 -0.04 2.15 2.13 1h0cA1 MET 126 HB3 -0.26 -0.01 0.13 -0.04 2.03 1.86 1h0cA1 MET 126 HG2 -0.13 -0.04 -0.03 -0.04 2.63 2.40 1h0cA1 MET 126 HG3 -0.02 0.04 0.01 -0.04 2.56 2.55 1h0cA1 MET 126 HE3 -0.37 -0.02 -0.15 -0.04 2.10 1.51 1h0cA1 THR 127 H 0.02 0.60 0.49 -0.55 8.28 8.85 1h0cA1 THR 127 HA 0.09 0.08 0.38 -0.75 4.39 4.19 1h0cA1 THR 127 HB 0.04 -0.04 0.12 -0.04 4.32 4.40 1h0cA1 THR 127 HG23 0.03 0.00 0.05 -0.04 1.22 1.27 1h0cA1 LYS 128 H 0.09 0.33 0.25 -0.55 8.42 8.53 1h0cA1 LYS 128 HA 0.02 0.12 0.62 -0.75 4.32 4.33 1h0cA1 LYS 128 HB2 0.06 -0.03 -0.19 -0.04 1.87 1.68 1h0cA1 LYS 128 HB3 -0.09 -0.02 0.12 -0.04 1.79 1.75 1h0cA1 LYS 128 HG2 -0.02 0.14 -0.03 -0.04 1.46 1.51 1h0cA1 LYS 128 HG3 -0.85 -0.02 -0.21 -0.04 1.46 0.33 1h0cA1 LYS 128 HD2 -0.25 -0.11 0.06 -0.04 1.69 1.36 1h0cA1 LYS 128 HD3 -0.12 -0.00 0.12 -0.04 1.68 1.63 1h0cA1 LYS 128 HE2 -0.46 0.59 0.19 -0.04 2.99 3.27 1h0cA1 LYS 128 HE3 -0.23 -0.08 0.11 -0.04 2.99 2.75 1h0cA1 ASP 129 H -0.05 0.18 0.19 -0.55 8.40 8.17 1h0cA1 ASP 129 HA 0.01 0.22 0.94 -0.75 4.63 5.05 1h0cA1 ASP 129 HB2 -0.02 -0.02 0.01 -0.04 2.71 2.63 1h0cA1 ASP 129 HB3 0.01 0.10 0.07 -0.04 2.70 2.84 1h0cA1 PRO 130 HA 0.07 0.07 0.51 -0.51 4.44 4.59 1h0cA1 PRO 130 HB2 0.12 0.08 0.00 -0.04 2.28 2.44 1h0cA1 PRO 130 HB3 0.01 -0.12 0.01 -0.04 2.02 1.88 1h0cA1 PRO 130 HG2 0.15 0.08 0.12 -0.04 2.03 2.34 1h0cA1 PRO 130 HG3 0.03 0.17 0.01 -0.04 2.03 2.20 1h0cA1 PRO 130 HD2 0.03 0.11 0.22 -0.04 3.68 4.00 1h0cA1 PRO 130 HD3 0.02 0.07 0.16 -0.04 3.65 3.86 1h0cA1 GLY 131 H 0.11 0.12 0.27 -0.55 8.43 8.38 1h0cA1 GLY 131 HA2 0.13 -0.01 0.31 -0.51 4.01 3.94 1h0cA1 GLY 131 HA3 -0.06 0.25 0.89 -0.51 4.01 4.57 1h0cA1 GLY 132 H -0.03 0.60 0.17 -0.55 8.43 8.63 1h0cA1 GLY 132 HA2 -0.09 0.13 0.69 -0.51 4.01 4.23 1h0cA1 GLY 132 HA3 -0.15 -0.03 0.38 -0.51 4.01 3.71 1h0cA1 HIS 133 H -0.36 0.15 0.19 -0.55 8.41 7.85 1h0cA1 HIS 133 HA -0.31 0.15 0.75 -0.75 4.63 4.46 1h0cA1 HIS 133 HB2 -0.07 -0.04 0.14 -0.04 3.26 3.26 1h0cA1 HIS 133 HB3 -0.08 0.10 -0.13 -0.04 3.20 3.05 1h0cA1 HIS 133 HD2 0.05 0.09 -0.29 -0.04 6.97 6.77 1h0cA1 HIS 133 HE1 -0.02 0.01 -0.02 -0.04 7.75 7.67 1h0cA1 TYR 134 H 0.21 0.22 0.11 -0.55 8.29 8.28 1h0cA1 TYR 134 HA -0.03 0.21 1.23 -0.75 4.56 5.22 1h0cA1 TYR 134 HB2 0.01 0.01 0.06 -0.04 3.06 3.09 1h0cA1 TYR 134 HB3 0.09 0.03 -0.11 -0.04 2.98 2.95 1h0cA1 TYR 134 HD2 -0.01 -0.02 -0.06 -0.04 7.15 7.02 1h0cA1 TYR 134 HE2 0.01 0.04 -0.25 -0.04 6.85 6.62 1h0cA1 THR 135 H 0.08 0.17 0.15 -0.55 8.28 8.14 1h0cA1 THR 135 HA 0.25 0.18 0.59 -0.75 4.39 4.65 1h0cA1 THR 135 HB 0.05 -0.17 0.09 -0.04 4.32 4.25 1h0cA1 THR 135 HG23 0.03 0.05 0.03 -0.04 1.22 1.30 1h0cA1 LEU 136 H 0.05 0.00 0.18 -0.55 8.37 8.05 1h0cA1 LEU 136 HA -0.63 0.11 0.32 -0.75 4.35 3.39 1h0cA1 LEU 136 HB2 -0.15 -0.01 0.03 -0.04 1.64 1.47 1h0cA1 LEU 136 HB3 -0.40 0.04 0.06 -0.04 1.64 1.30 1h0cA1 LEU 136 HG -0.44 0.09 0.08 -0.04 1.64 1.33 1h0cA1 LEU 136 HD13 0.05 0.03 0.15 -0.04 0.93 1.13 1h0cA1 LEU 136 HD23 -0.14 0.01 0.01 -0.04 0.89 0.73 1h0cA1 GLN 137 H -0.01 -0.03 -0.46 -0.55 8.47 7.43 1h0cA1 GLN 137 HA -0.02 0.12 0.37 -0.75 4.36 4.08 1h0cA1 GLU 138 H 0.04 0.02 -0.01 -0.55 8.60 8.11 1h0cA1 GLU 138 HA 0.03 0.02 0.33 -0.75 4.29 3.92 1h0cA1 GLU 138 HB2 0.15 0.03 0.11 -0.04 2.09 2.34 1h0cA1 GLU 138 HB3 0.12 0.07 0.02 -0.04 1.99 2.15 1h0cA1 GLU 138 HG2 0.04 0.03 0.09 -0.04 2.34 2.46 1h0cA1 GLU 138 HG3 0.04 -0.11 0.14 -0.04 2.34 2.37 1h0cA1 VAL 139 H 0.08 0.40 -0.48 -0.55 8.24 7.69 1h0cA1 VAL 139 HA 0.00 0.06 0.53 -0.75 4.13 3.96 1h0cA1 VAL 139 HB 0.13 0.08 -0.03 -0.04 2.12 2.26 1h0cA1 VAL 139 HG13 0.06 0.01 -0.12 -0.04 0.97 0.87 1h0cA1 VAL 139 HG23 0.23 0.00 -0.15 -0.04 0.95 0.99 1h0cA1 GLU 140 H -0.04 0.59 0.01 -0.55 8.60 8.61 1h0cA1 GLU 140 HA -0.27 0.13 0.51 -0.75 4.29 3.90 1h0cA1 GLU 140 HB2 -0.03 0.02 0.18 -0.04 2.09 2.22 1h0cA1 GLU 140 HB3 -0.02 0.05 0.19 -0.04 1.99 2.18 1h0cA1 GLU 140 HG2 0.07 -0.03 -0.14 -0.04 2.34 2.19 1h0cA1 GLU 140 HG3 0.07 0.03 0.01 -0.04 2.34 2.42 1h0cA1 GLU 141 H -0.02 0.29 -0.17 -0.55 8.60 8.16 1h0cA1 GLU 141 HA -0.01 0.03 0.29 -0.75 4.29 3.85 1h0cA1 GLU 141 HB2 0.00 -0.05 0.05 -0.04 2.09 2.05 1h0cA1 GLU 141 HB3 0.01 0.17 0.07 -0.04 1.99 2.20 1h0cA1 GLU 141 HG2 0.01 0.01 -0.03 -0.04 2.34 2.29 1h0cA1 GLU 141 HG3 0.00 -0.01 0.06 -0.04 2.34 2.35 1h0cA1 GLY 142 H -0.03 0.25 -0.47 -0.55 8.43 7.63 1h0cA1 GLY 142 HA2 0.11 0.02 0.51 -0.51 4.01 4.13 1h0cA1 GLY 142 HA3 -0.00 0.01 0.29 -0.51 4.01 3.80 1h0cA1 LEU 143 H -0.16 0.82 0.06 -0.55 8.37 8.54 1h0cA1 LEU 143 HA -0.10 -0.01 0.37 -0.75 4.35 3.87 1h0cA1 LEU 143 HB2 -0.66 0.01 0.26 -0.04 1.64 1.21 1h0cA1 LEU 143 HB3 -1.16 0.00 0.07 -0.04 1.64 0.51 1h0cA1 LEU 143 HG -0.14 -0.04 0.03 -0.04 1.64 1.44 1h0cA1 LEU 143 HD13 -0.14 -0.02 0.10 -0.04 0.93 0.83 1h0cA1 LEU 143 HD23 -0.02 -0.01 -0.03 -0.04 0.89 0.79 1h0cA1 ALA 144 H -0.13 0.26 -0.85 -0.55 8.40 7.14 1h0cA1 ALA 144 HA 0.17 0.01 0.36 -0.75 4.34 4.13 1h0cA1 ALA 144 HB3 0.01 0.04 0.07 -0.04 1.41 1.48 1h0cA1 GLN 145 H -0.11 0.30 0.08 -0.55 8.47 8.19 1h0cA1 GLN 145 HA -0.18 -0.00 0.39 -0.75 4.36 3.81 1h0cA1 GLN 145 HB2 -0.78 0.02 0.24 -0.04 2.15 1.58 1h0cA1 GLN 145 HB3 -1.00 0.01 0.03 -0.04 2.02 1.01 1h0cA1 GLN 145 HG2 -0.19 -0.02 0.06 -0.04 2.40 2.21 1h0cA1 GLN 145 HG3 -0.15 0.03 0.12 -0.04 2.39 2.35 1h0cA1 GLN 145 HE21 -0.06 -0.03 0.00 -0.04 6.97 6.84 1h0cA1 GLN 145 HE22 -0.16 0.01 0.00 -0.04 7.69 7.51 1h0cA1 HIS 146 H -0.52 0.17 -0.02 -0.55 8.41 7.50 1h0cA1 HIS 146 HA -0.11 0.11 0.40 -0.75 4.63 4.29 1h0cA1 HIS 146 HB2 -0.16 0.01 -0.10 -0.04 3.26 2.98 1h0cA1 HIS 146 HB3 -0.55 -0.03 0.02 -0.04 3.20 2.61 1h0cA1 HIS 146 HD2 -0.89 0.02 -0.04 -0.04 6.97 6.02 1h0cA1 HIS 146 HE1 -0.08 -0.04 0.07 -0.04 7.75 7.65 1h0cA1 LYS 147 H 0.05 0.22 -0.52 -0.55 8.42 7.61 1h0cA1 LYS 147 HA 0.12 0.15 0.38 -0.75 4.32 4.21 1h0cA1 LYS 147 HB2 0.09 -0.05 0.24 -0.04 1.87 2.12 1h0cA1 LYS 147 HB3 0.15 -0.02 0.13 -0.04 1.79 2.01 1h0cA1 LYS 147 HG2 0.06 0.26 -0.13 -0.04 1.46 1.62 1h0cA1 LYS 147 HG3 0.04 -0.02 -0.67 -0.04 1.46 0.77 1h0cA1 LYS 147 HD2 0.03 -0.06 -0.01 -0.04 1.69 1.61 1h0cA1 LYS 147 HD3 0.05 -0.05 -0.02 -0.04 1.68 1.62 1h0cA1 LYS 147 HE2 0.07 0.04 0.03 -0.04 2.99 3.09 1h0cA1 LYS 147 HE3 0.03 -0.12 0.01 -0.04 2.99 2.87 1h0cA1 PRO 148 HA 0.15 0.20 0.43 -0.51 4.44 4.72 1h0cA1 PRO 148 HB2 0.14 -0.06 -0.18 -0.04 2.28 2.13 1h0cA1 PRO 148 HB3 0.20 -0.08 -0.53 -0.04 2.02 1.57 1h0cA1 PRO 148 HG2 0.07 -0.11 -0.15 -0.04 2.03 1.80 1h0cA1 PRO 148 HG3 0.16 0.01 -0.26 -0.04 2.03 1.90 1h0cA1 PRO 148 HD2 0.06 0.05 0.00 -0.04 3.68 3.76 1h0cA1 PRO 148 HD3 0.10 0.05 -0.18 -0.04 3.65 3.58 1h0cA1 VAL 149 H 0.12 0.53 0.33 -0.55 8.24 8.67 1h0cA1 VAL 149 HA 0.07 0.24 0.63 -0.75 4.13 4.32 1h0cA1 VAL 149 HB 0.06 0.09 0.22 -0.04 2.12 2.44 1h0cA1 VAL 149 HG13 0.05 0.05 0.04 -0.04 0.97 1.08 1h0cA1 VAL 149 HG23 0.03 -0.02 0.14 -0.04 0.95 1.06 1h0cA1 LEU 150 H 0.16 0.23 -0.11 -0.55 8.37 8.10 1h0cA1 LEU 150 HA 0.12 0.16 0.80 -0.75 4.35 4.68 1h0cA1 LEU 150 HB2 0.07 0.09 -0.16 -0.04 1.64 1.60 1h0cA1 LEU 150 HB3 0.09 -0.03 -0.07 -0.04 1.64 1.59 1h0cA1 LEU 150 HG 0.29 0.06 -0.41 -0.04 1.64 1.54 1h0cA1 LEU 150 HD13 0.11 -0.01 -0.17 -0.04 0.93 0.82 1h0cA1 LEU 150 HD23 -0.13 -0.03 -0.19 -0.04 0.89 0.51 1h0cA1 LEU 151 H 0.15 0.66 0.32 -0.55 8.37 8.95 1h0cA1 LEU 151 HA 0.14 0.27 1.06 -0.75 4.35 5.07 1h0cA1 LEU 151 HB2 0.05 0.06 -0.02 -0.04 1.64 1.69 1h0cA1 LEU 151 HB3 0.07 0.04 0.09 -0.04 1.64 1.81 1h0cA1 LEU 151 HG -0.03 -0.07 -0.41 -0.04 1.64 1.09 1h0cA1 LEU 151 HD13 -0.08 0.07 -0.07 -0.04 0.93 0.80 1h0cA1 LEU 151 HD23 0.02 -0.01 -0.14 -0.04 0.89 0.73 1h0cA1 PHE 152 H 0.08 0.57 0.36 -0.55 8.34 8.80 1h0cA1 PHE 152 HA 0.12 0.32 1.21 -0.75 4.62 5.51 1h0cA1 PHE 152 HB2 0.44 0.06 -0.08 -0.04 3.15 3.53 1h0cA1 PHE 152 HB3 -0.14 -0.05 0.13 -0.04 3.06 2.95 1h0cA1 PHE 152 HD2 0.11 -0.02 -0.19 -0.04 7.28 7.14 1h0cA1 PHE 152 HE2 0.22 -0.06 -0.24 -0.04 7.38 7.26 1h0cA1 PHE 152 HZ 0.18 -0.13 -0.23 -0.04 7.32 7.10 1h0cA1 LEU 153 H -0.64 0.80 0.36 -0.55 8.37 8.34 1h0cA1 LEU 153 HA -0.40 0.11 1.02 -0.75 4.35 4.33 1h0cA1 LEU 153 HB2 -0.33 0.05 0.01 -0.04 1.64 1.32 1h0cA1 LEU 153 HB3 -0.33 0.05 -0.16 -0.04 1.64 1.17 1h0cA1 LEU 153 HG -0.23 -0.02 -0.30 -0.04 1.64 1.04 1h0cA1 LEU 153 HD13 -0.60 0.02 -0.10 -0.04 0.93 0.21 1h0cA1 LEU 153 HD23 -0.18 0.01 0.04 -0.04 0.89 0.72 1h0cA1 THR 154 H -0.16 0.23 0.14 -0.55 8.28 7.95 1h0cA1 THR 154 HA -0.21 -0.00 0.78 -0.75 4.39 4.20 1h0cA1 THR 154 HB 0.11 0.09 0.10 -0.04 4.32 4.57 1h0cA1 THR 154 HG23 0.11 -0.05 -0.33 -0.04 1.22 0.90 1h0cA1 HIS 155 H -0.12 0.38 0.27 -0.55 8.41 8.41 1h0cA1 HIS 155 HA -0.17 0.23 0.54 -0.75 4.63 4.48 1h0cA1 HIS 155 HB2 -0.23 -0.01 0.02 -0.04 3.26 2.99 1h0cA1 HIS 155 HB3 -0.21 -0.11 0.25 -0.04 3.20 3.08 1h0cA1 HIS 155 HD2 -0.14 0.02 0.14 -0.04 6.97 6.94 1h0cA1 HIS 155 HE1 -0.24 0.35 -0.10 -0.04 7.75 7.72 1h0cA1 GLY 156 H -0.14 0.09 0.13 -0.55 8.43 7.96 1h0cA1 GLY 156 HA2 -0.12 0.37 0.85 -0.51 4.01 4.59 1h0cA1 GLY 156 HA3 -0.19 -0.08 0.22 -0.51 4.01 3.45 1h0cA1 GLU 157 H 0.03 0.77 0.06 -0.55 8.60 8.91 1h0cA1 GLU 157 HA 0.27 -0.08 0.50 -0.75 4.29 4.22 1h0cA1 GLU 157 HB2 0.15 0.07 0.05 -0.04 2.09 2.31 1h0cA1 GLU 157 HB3 0.09 0.26 0.26 -0.04 1.99 2.56 1h0cA1 GLU 157 HG2 0.11 0.23 -0.02 -0.04 2.34 2.62 1h0cA1 GLU 157 HG3 0.11 -0.29 0.08 -0.04 2.34 2.20 1h0cA1 SER 158 H 0.24 0.21 0.25 -0.55 8.46 8.62 1h0cA1 SER 158 HA 0.09 0.19 0.25 -0.75 4.49 4.28 1h0cA1 SER 158 HB2 0.13 0.13 0.05 -0.04 3.95 4.22 1h0cA1 SER 158 HB3 0.06 0.01 0.05 -0.04 3.93 4.01 1h0cA1 SER 159 H 0.28 -0.09 -0.30 -0.55 8.46 7.80 1h0cA1 SER 159 HA 0.00 0.28 0.64 -0.75 4.49 4.66 1h0cA1 SER 159 HB2 -0.17 0.19 0.16 -0.04 3.95 4.09 1h0cA1 SER 159 HB3 -0.19 -0.11 0.06 -0.04 3.93 3.66 1h0cA1 THR 160 H 0.07 0.12 -0.17 -0.55 8.28 7.74 1h0cA1 THR 160 HA -0.11 0.27 0.85 -0.75 4.39 4.64 1h0cA1 THR 160 HB 0.17 0.07 0.09 -0.04 4.32 4.61 1h0cA1 THR 160 HG23 0.01 -0.00 -0.07 -0.04 1.22 1.12 1h0cA1 GLY 161 H 0.06 0.40 0.15 -0.55 8.43 8.50 1h0cA1 GLY 161 HA2 0.04 0.20 0.29 -0.51 4.01 4.02 1h0cA1 GLY 161 HA3 0.05 0.09 0.66 -0.51 4.01 4.30 1h0cA1 VAL 162 H 0.07 -0.07 -0.10 -0.55 8.24 7.58 1h0cA1 VAL 162 HA 0.02 0.46 0.75 -0.75 4.13 4.61 1h0cA1 VAL 162 HB 0.06 -0.20 0.07 -0.04 2.12 2.00 1h0cA1 VAL 162 HG13 0.03 0.04 -0.32 -0.04 0.97 0.68 1h0cA1 VAL 162 HG23 0.07 0.01 -0.19 -0.04 0.95 0.80 1h0cA1 LEU 163 H -0.02 0.91 0.19 -0.55 8.37 8.91 1h0cA1 LEU 163 HA -0.05 0.02 0.73 -0.75 4.35 4.29 1h0cA1 LEU 163 HB2 -0.05 -0.03 -0.33 -0.04 1.64 1.18 1h0cA1 LEU 163 HB3 -0.04 0.05 -0.18 -0.04 1.64 1.43 1h0cA1 LEU 163 HG -0.02 -0.04 -0.40 -0.04 1.64 1.14 1h0cA1 LEU 163 HD13 -0.10 -0.01 -0.08 -0.04 0.93 0.70 1h0cA1 LEU 163 HD23 -0.05 0.05 -0.06 -0.04 0.89 0.78 1h0cA1 GLN 164 H 0.05 0.65 0.32 -0.55 8.47 8.94 1h0cA1 GLN 164 HA -0.08 0.18 0.93 -0.75 4.36 4.63 1h0cA1 GLN 164 HB2 0.02 -0.10 0.06 -0.04 2.15 2.09 1h0cA1 GLN 164 HB3 0.00 0.22 0.36 -0.04 2.02 2.57 1h0cA1 GLN 164 HG2 -0.11 -0.10 -0.05 -0.04 2.40 2.10 1h0cA1 GLN 164 HG3 -0.19 0.06 -0.43 -0.04 2.39 1.79 1h0cA1 GLN 164 HE21 0.14 0.09 0.15 -0.04 6.97 7.31 1h0cA1 GLN 164 HE22 -0.20 0.85 0.10 -0.04 7.69 8.40 1h0cA1 PRO 165 HA -0.06 -0.01 0.46 -0.51 4.44 4.32 1h0cA1 PRO 165 HB2 0.12 0.00 0.06 -0.04 2.28 2.41 1h0cA1 PRO 165 HB3 0.01 -0.02 0.10 -0.04 2.02 2.07 1h0cA1 PRO 165 HG2 -0.19 -0.01 0.08 -0.04 2.03 1.87 1h0cA1 PRO 165 HG3 -0.12 0.12 0.06 -0.04 2.03 2.05 1h0cA1 PRO 165 HD2 -0.13 0.02 0.24 -0.04 3.68 3.77 1h0cA1 PRO 165 HD3 -0.23 0.44 0.41 -0.04 3.65 4.23 1h0cA1 LEU 166 H -0.07 -0.00 0.23 -0.55 8.37 7.98 1h0cA1 LEU 166 HA -0.17 0.21 0.85 -0.75 4.35 4.49 1h0cA1 LEU 166 HB2 -0.21 -0.02 -0.03 -0.04 1.64 1.34 1h0cA1 LEU 166 HB3 -0.20 -0.02 0.03 -0.04 1.64 1.41 1h0cA1 LEU 166 HG -0.44 0.24 -0.20 -0.04 1.64 1.21 1h0cA1 LEU 166 HD13 -0.90 -0.03 -0.05 -0.04 0.93 -0.09 1h0cA1 LEU 166 HD23 -0.38 0.00 -0.20 -0.04 0.89 0.27 1h0cA1 ASP 167 H 0.04 -0.02 0.15 -0.55 8.40 8.02 1h0cA1 ASP 167 HA 0.01 0.08 0.49 -0.75 4.63 4.45 1h0cA1 ASP 167 HB2 0.01 -0.02 0.15 -0.04 2.71 2.81 1h0cA1 ASP 167 HB3 -0.02 0.05 0.02 -0.04 2.70 2.72 1h0cA1 GLY 168 H -0.01 0.18 0.19 -0.55 8.43 8.25 1h0cA1 GLY 168 HA2 -0.06 0.02 0.43 -0.51 4.01 3.89 1h0cA1 GLY 168 HA3 -0.10 0.16 0.51 -0.51 4.01 4.08 1h0cA1 PHE 169 H 0.16 0.44 -0.47 -0.55 8.34 7.92 1h0cA1 PHE 169 HA -0.02 -0.02 0.26 -0.75 4.62 4.09 1h0cA1 PHE 169 HB2 -0.06 0.15 0.02 -0.04 3.15 3.21 1h0cA1 PHE 169 HB3 -0.03 -0.00 -0.09 -0.04 3.06 2.89 1h0cA1 PHE 169 HD2 -0.03 0.01 -0.18 -0.04 7.28 7.03 1h0cA1 PHE 169 HE2 0.01 -0.04 -0.20 -0.04 7.38 7.11 1h0cA1 PHE 169 HZ 0.08 0.20 -0.10 -0.04 7.32 7.46 1h0cA1 GLY 170 H 0.05 0.15 -0.42 -0.55 8.43 7.67 1h0cA1 GLY 170 HA2 -0.03 0.11 0.38 -0.51 4.01 3.97 1h0cA1 GLY 170 HA3 -0.13 0.11 0.28 -0.51 4.01 3.76 1h0cA1 GLU 171 H -0.08 0.25 -0.07 -0.55 8.60 8.15 1h0cA1 GLU 171 HA -0.07 0.04 0.51 -0.75 4.29 4.02 1h0cA1 GLU 171 HB2 -0.05 0.06 0.16 -0.04 2.09 2.23 1h0cA1 GLU 171 HB3 -0.02 -0.01 0.01 -0.04 1.99 1.94 1h0cA1 GLU 171 HG2 -0.08 -0.03 0.07 -0.04 2.34 2.26 1h0cA1 GLU 171 HG3 -0.04 -0.00 0.03 -0.04 2.34 2.29 1h0cA1 LEU 172 H -0.03 0.37 -0.08 -0.55 8.37 8.08 1h0cA1 LEU 172 HA 0.07 0.01 0.31 -0.75 4.35 3.98 1h0cA1 LEU 172 HB2 -0.11 -0.06 0.02 -0.04 1.64 1.44 1h0cA1 LEU 172 HB3 -0.10 -0.01 -0.00 -0.04 1.64 1.48 1h0cA1 LEU 172 HG -0.03 0.06 -0.16 -0.04 1.64 1.46 1h0cA1 LEU 172 HD13 0.03 -0.02 0.09 -0.04 0.93 0.99 1h0cA1 LEU 172 HD23 -0.20 -0.06 0.02 -0.04 0.89 0.60 1h0cA1 CYS 173 H 0.13 0.29 -0.90 -0.55 8.50 7.47 1h0cA1 CYS 173 HA 0.13 0.12 0.79 -0.75 4.58 4.86 1h0cA1 CYS 173 HB2 0.22 0.22 0.07 -0.04 2.97 3.44 1h0cA1 CYS 173 HB3 0.20 0.24 -0.27 -0.04 2.97 3.09 1h0cA1 HIS 174 H 0.36 0.46 0.28 -0.55 8.41 8.97 1h0cA1 HIS 174 HA 0.06 0.09 0.44 -0.75 4.63 4.46 1h0cA1 HIS 174 HB2 0.04 -0.03 0.21 -0.04 3.26 3.44 1h0cA1 HIS 174 HB3 0.03 -0.06 0.08 -0.04 3.20 3.20 1h0cA1 HIS 174 HD2 0.03 -0.07 0.01 -0.04 6.97 6.90 1h0cA1 HIS 174 HE1 0.04 -0.07 0.16 -0.04 7.75 7.83 1h0cA1 ARG 175 H 0.19 0.54 -0.31 -0.55 8.46 8.32 1h0cA1 ARG 175 HA 0.06 -0.03 0.34 -0.75 4.34 3.96 1h0cA1 ARG 175 HB2 0.15 0.21 0.05 -0.04 1.90 2.27 1h0cA1 ARG 175 HB3 0.36 0.04 -0.05 -0.04 1.80 2.11 1h0cA1 ARG 175 HG2 -0.05 0.01 -0.07 -0.04 1.67 1.52 1h0cA1 ARG 175 HG3 0.03 -0.07 -0.03 -0.04 1.67 1.56 1h0cA1 ARG 175 HD2 0.22 0.05 -0.02 -0.04 3.22 3.43 1h0cA1 ARG 175 HD3 0.07 0.01 -0.05 -0.04 3.22 3.20 1h0cA1 TYR 176 H 0.43 0.18 -0.27 -0.55 8.29 8.08 1h0cA1 TYR 176 HA 0.02 0.07 0.51 -0.75 4.56 4.41 1h0cA1 TYR 176 HB2 0.05 0.02 0.11 -0.04 3.06 3.20 1h0cA1 TYR 176 HB3 0.04 0.09 0.19 -0.04 2.98 3.25 1h0cA1 TYR 176 HD2 0.02 0.07 0.01 -0.04 7.15 7.21 1h0cA1 TYR 176 HE2 0.00 -0.04 -0.07 -0.04 6.85 6.70 1h0cA1 LYS 177 H 0.09 0.39 -1.00 -0.55 8.42 7.34 1h0cA1 CYS 178 H 0.11 0.64 -0.28 -0.55 8.50 8.42 1h0cA1 CYS 178 HA 0.06 0.25 0.85 -0.75 4.58 4.99 1h0cA1 CYS 178 HB2 0.11 0.26 -0.15 -0.04 2.97 3.15 1h0cA1 CYS 178 HB3 0.11 -0.09 -0.03 -0.04 2.97 2.92 1h0cA1 LEU 179 H 0.05 0.65 0.14 -0.55 8.37 8.67 1h0cA1 LEU 179 HA -0.02 0.02 0.58 -0.75 4.35 4.18 1h0cA1 LEU 179 HB2 0.06 0.07 0.27 -0.04 1.64 2.00 1h0cA1 LEU 179 HB3 0.06 -0.14 0.01 -0.04 1.64 1.54 1h0cA1 LEU 179 HG 0.00 0.16 0.04 -0.04 1.64 1.80 1h0cA1 LEU 179 HD13 0.03 0.02 0.00 -0.04 0.93 0.94 1h0cA1 LEU 179 HD23 -0.01 -0.03 -0.09 -0.04 0.89 0.72 1h0cA1 LEU 180 H 0.12 0.11 0.24 -0.55 8.37 8.30 1h0cA1 LEU 180 HA 0.08 0.22 1.07 -0.75 4.35 4.98 1h0cA1 LEU 180 HB2 0.13 0.15 0.00 -0.04 1.64 1.88 1h0cA1 LEU 180 HB3 0.11 -0.05 0.30 -0.04 1.64 1.96 1h0cA1 LEU 180 HG -0.03 -0.12 -0.37 -0.04 1.64 1.07 1h0cA1 LEU 180 HD13 -0.03 0.01 -0.09 -0.04 0.93 0.78 1h0cA1 LEU 180 HD23 0.00 0.02 -0.21 -0.04 0.89 0.65 1h0cA1 LEU 181 H 0.07 0.73 0.33 -0.55 8.37 8.96 1h0cA1 LEU 181 HA 0.04 0.15 1.05 -0.75 4.35 4.85 1h0cA1 LEU 181 HB2 0.16 0.00 -0.02 -0.04 1.64 1.75 1h0cA1 LEU 181 HB3 0.24 0.31 0.26 -0.04 1.64 2.41 1h0cA1 LEU 181 HG 0.37 -0.14 -0.28 -0.04 1.64 1.54 1h0cA1 LEU 181 HD13 0.24 0.03 -0.10 -0.04 0.93 1.05 1h0cA1 LEU 181 HD23 0.41 -0.00 -0.14 -0.04 0.89 1.12 1h0cA1 VAL 182 H -0.09 0.78 0.42 -0.55 8.24 8.80 1h0cA1 VAL 182 HA -0.33 0.35 1.30 -0.75 4.13 4.69 1h0cA1 VAL 182 HB -0.22 0.02 0.08 -0.04 2.12 1.96 1h0cA1 VAL 182 HG13 -0.27 -0.05 -0.26 -0.04 0.97 0.35 1h0cA1 VAL 182 HG23 -0.24 0.01 -0.20 -0.04 0.95 0.48 1h0cA1 ASP 183 H -0.41 0.62 0.40 -0.55 8.40 8.46 1h0cA1 ASP 183 HA -1.18 0.20 0.86 -0.75 4.63 3.76 1h0cA1 ASP 183 HB2 0.04 0.10 0.03 -0.04 2.71 2.83 1h0cA1 ASP 183 HB3 -0.20 -0.11 0.30 -0.04 2.70 2.65 1h0cA1 SER 184 H -0.54 0.92 0.33 -0.55 8.46 8.62 1h0cA1 SER 184 HA -0.21 0.08 1.18 -0.75 4.49 4.78 1h0cA1 SER 184 HB2 -0.11 -0.03 0.13 -0.04 3.95 3.91 1h0cA1 SER 184 HB3 -0.19 0.06 -0.05 -0.04 3.93 3.71 1h0cA1 VAL 185 H -0.36 0.13 -0.17 -0.55 8.24 7.28 1h0cA1 VAL 185 HA -0.13 -0.11 0.66 -0.75 4.13 3.79 1h0cA1 VAL 185 HB -0.37 0.01 0.13 -0.04 2.12 1.85 1h0cA1 VAL 185 HG13 -0.15 -0.00 -0.04 -0.04 0.97 0.74 1h0cA1 VAL 185 HG23 -0.16 -0.01 -0.08 -0.04 0.95 0.66 1h0cA1 ALA 186 H -0.22 0.05 0.02 -0.55 8.40 7.71 1h0cA1 ALA 186 HA -0.09 0.19 0.71 -0.75 4.34 4.40 1h0cA1 ALA 186 HB3 -0.09 0.06 0.04 -0.04 1.41 1.37 1h0cA1 SER 187 H -0.21 -0.13 -0.19 -0.55 8.46 7.38 1h0cA1 SER 187 HA -0.25 0.21 0.62 -0.75 4.49 4.31 1h0cA1 SER 187 HB2 -0.81 0.13 -0.04 -0.04 3.95 3.20 1h0cA1 SER 187 HB3 -0.56 -0.12 -0.02 -0.04 3.93 3.20 1h0cA1 LEU 188 H -0.12 0.25 -0.12 -0.55 8.37 7.83 1h0cA1 LEU 188 HA -0.01 0.08 0.33 -0.75 4.35 3.99 1h0cA1 LEU 188 HB2 0.03 0.01 0.14 -0.04 1.64 1.78 1h0cA1 LEU 188 HB3 0.00 -0.01 0.13 -0.04 1.64 1.72 1h0cA1 LEU 188 HG 0.06 0.04 -0.26 -0.04 1.64 1.44 1h0cA1 LEU 188 HD13 0.23 -0.02 -0.10 -0.04 0.93 1.01 1h0cA1 LEU 188 HD23 0.09 -0.02 -0.10 -0.04 0.89 0.82 1h0cA1 GLY 189 H 0.14 0.21 0.18 -0.55 8.43 8.42 1h0cA1 GLY 189 HA2 0.13 0.01 0.35 -0.51 4.01 3.99 1h0cA1 GLY 189 HA3 0.01 0.07 0.49 -0.51 4.01 4.07 1h0cA1 GLY 190 H -0.13 0.46 -0.50 -0.55 8.43 7.72 1h0cA1 GLY 190 HA2 -0.59 0.19 0.81 -0.51 4.01 3.91 1h0cA1 GLY 190 HA3 -0.39 -0.02 0.26 -0.51 4.01 3.35 1h0cA1 THR 191 H -0.20 0.35 0.15 -0.55 8.28 8.04 1h0cA1 THR 191 HA -0.33 0.18 0.66 -0.75 4.39 4.15 1h0cA1 THR 191 HB -0.26 0.06 0.07 -0.04 4.32 4.15 1h0cA1 THR 191 HG23 -0.16 -0.01 -0.13 -0.04 1.22 0.87 1h0cA1 PRO 192 HA -2.50 0.04 0.43 -0.51 4.44 1.90 1h0cA1 PRO 192 HB2 -0.46 -0.01 0.01 -0.04 2.28 1.78 1h0cA1 PRO 192 HB3 -1.06 0.01 0.02 -0.04 2.02 0.95 1h0cA1 PRO 192 HG2 -0.37 0.04 0.05 -0.04 2.03 1.70 1h0cA1 PRO 192 HG3 -1.16 0.04 0.01 -0.04 2.03 0.88 1h0cA1 PRO 192 HD2 -0.39 0.10 0.17 -0.04 3.68 3.53 1h0cA1 PRO 192 HD3 -0.50 0.19 0.19 -0.04 3.65 3.49 1h0cA1 LEU 193 H -0.81 0.32 0.16 -0.55 8.37 7.49 1h0cA1 LEU 193 HA -0.20 0.04 0.58 -0.75 4.35 4.01 1h0cA1 LEU 193 HB2 -0.03 0.09 -0.21 -0.04 1.64 1.45 1h0cA1 LEU 193 HB3 -0.09 0.04 0.01 -0.04 1.64 1.56 1h0cA1 LEU 193 HG -0.12 0.06 -0.24 -0.04 1.64 1.31 1h0cA1 LEU 193 HD13 -0.17 -0.03 -0.08 -0.04 0.93 0.60 1h0cA1 LEU 193 HD23 -0.09 -0.02 -0.07 -0.04 0.89 0.67 1h0cA1 TYR 194 H 0.06 0.20 -0.03 -0.55 8.29 7.98 1h0cA1 TYR 194 HA 0.03 0.36 0.89 -0.75 4.56 5.08 1h0cA1 TYR 194 HB2 -0.02 -0.10 0.06 -0.04 3.06 2.96 1h0cA1 TYR 194 HB3 0.02 -0.01 0.08 -0.04 2.98 3.04 1h0cA1 TYR 194 HD2 0.01 -0.01 -0.09 -0.04 7.15 7.02 1h0cA1 TYR 194 HE2 0.04 0.02 -0.10 -0.04 6.85 6.76 1h0cA1 MET 195 H 0.03 0.78 0.17 -0.55 8.47 8.90 1h0cA1 MET 195 HA -0.07 -0.03 0.31 -0.75 4.52 3.98 1h0cA1 MET 195 HB2 -0.11 0.05 -0.01 -0.04 2.15 2.05 1h0cA1 MET 195 HB3 0.03 0.04 -0.02 -0.04 2.03 2.04 1h0cA1 MET 195 HG2 -0.02 0.07 -0.26 -0.04 2.63 2.38 1h0cA1 MET 195 HG3 -0.14 -0.07 -0.15 -0.04 2.56 2.16 1h0cA1 MET 195 HE3 -0.07 -0.02 -0.37 -0.04 2.10 1.60 1h0cA1 ASP 196 H 0.06 0.49 0.13 -0.55 8.40 8.54 1h0cA1 ASP 196 HA 0.03 0.09 0.50 -0.75 4.63 4.50 1h0cA1 ASP 196 HB2 0.06 0.02 0.17 -0.04 2.71 2.92 1h0cA1 ASP 196 HB3 0.04 0.04 0.04 -0.04 2.70 2.77 1h0cA1 ARG 197 H 0.05 0.14 -0.06 -0.55 8.46 8.05 1h0cA1 ARG 197 HA -0.02 0.05 0.30 -0.75 4.34 3.91 1h0cA1 ARG 197 HB2 -0.08 0.03 -0.01 -0.04 1.90 1.80 1h0cA1 ARG 197 HB3 -0.11 0.01 0.10 -0.04 1.80 1.76 1h0cA1 ARG 197 HG2 -0.00 -0.03 0.05 -0.04 1.67 1.66 1h0cA1 ARG 197 HG3 0.05 0.01 0.05 -0.04 1.67 1.73 1h0cA1 ARG 197 HD2 -0.18 0.01 0.01 -0.04 3.22 3.02 1h0cA1 ARG 197 HD3 -0.08 0.01 0.02 -0.04 3.22 3.13 1h0cA1 GLN 198 H 0.01 0.31 -0.86 -0.55 8.47 7.38 1h0cA1 GLN 198 HA -0.04 0.08 0.90 -0.75 4.36 4.55 1h0cA1 GLN 198 HB2 -0.02 0.22 0.08 -0.04 2.15 2.39 1h0cA1 GLN 198 HB3 -0.04 -0.07 0.08 -0.04 2.02 1.95 1h0cA1 GLN 198 HG2 -0.02 -0.06 -0.09 -0.04 2.40 2.19 1h0cA1 GLN 198 HG3 0.06 -0.00 -0.14 -0.04 2.39 2.27 1h0cA1 GLN 198 HE21 -0.10 0.04 -0.06 -0.04 6.97 6.81 1h0cA1 GLN 198 HE22 -0.03 -0.08 -0.14 -0.04 7.69 7.40 1h0cA1 GLY 199 H -0.03 0.86 0.01 -0.55 8.43 8.72 1h0cA1 GLY 199 HA2 -0.04 0.04 0.39 -0.51 4.01 3.89 1h0cA1 GLY 199 HA3 -0.18 -0.09 0.38 -0.51 4.01 3.61 1h0cA1 ILE 200 H -0.02 0.47 -0.06 -0.55 8.25 8.08 1h0cA1 ILE 200 HA 0.01 0.08 0.62 -0.75 4.18 4.14 1h0cA1 ILE 200 HB -0.09 -0.04 0.02 -0.04 1.89 1.74 1h0cA1 ILE 200 HG12 -0.12 -0.03 -0.10 -0.04 1.49 1.19 1h0cA1 ILE 200 HG13 -0.07 0.13 -0.20 -0.04 1.21 1.03 1h0cA1 ILE 200 HG23 -0.11 -0.04 -0.23 -0.04 0.93 0.51 1h0cA1 ILE 200 HD13 -0.15 -0.01 -0.11 -0.04 0.88 0.57 1h0cA1 ASP 201 H 0.06 0.48 0.39 -0.55 8.40 8.78 1h0cA1 ASP 201 HA 0.09 0.05 0.87 -0.75 4.63 4.89 1h0cA1 ASP 201 HB2 0.09 0.13 0.25 -0.04 2.71 3.14 1h0cA1 ASP 201 HB3 0.10 -0.08 0.11 -0.04 2.70 2.79 1h0cA1 ILE 202 H 0.02 0.49 0.36 -0.55 8.25 8.56 1h0cA1 ILE 202 HA -0.14 0.45 1.04 -0.75 4.18 4.77 1h0cA1 ILE 202 HB 0.06 -0.10 0.14 -0.04 1.89 1.95 1h0cA1 ILE 202 HG12 0.49 0.08 -0.05 -0.04 1.49 1.97 1h0cA1 ILE 202 HG13 0.23 0.02 -0.50 -0.04 1.21 0.91 1h0cA1 ILE 202 HG23 -0.29 0.00 -0.12 -0.04 0.93 0.48 1h0cA1 ILE 202 HD13 0.15 0.01 -0.14 -0.04 0.88 0.86 1h0cA1 LEU 203 H -0.22 0.57 0.27 -0.55 8.37 8.44 1h0cA1 LEU 203 HA -0.26 0.23 1.03 -0.75 4.35 4.60 1h0cA1 LEU 203 HB2 -0.37 -0.01 -0.15 -0.04 1.64 1.07 1h0cA1 LEU 203 HB3 -0.63 0.00 0.04 -0.04 1.64 1.02 1h0cA1 LEU 203 HG -1.62 -0.01 -0.23 -0.04 1.64 -0.26 1h0cA1 LEU 203 HD13 -0.42 0.01 -0.01 -0.04 0.93 0.47 1h0cA1 LEU 203 HD23 -0.80 -0.00 -0.09 -0.04 0.89 -0.05 1h0cA1 TYR 204 H -0.34 0.44 0.36 -0.55 8.29 8.19 1h0cA1 TYR 204 HA 0.08 0.46 0.96 -0.75 4.56 5.30 1h0cA1 TYR 204 HB2 -0.02 0.09 0.12 -0.04 3.06 3.21 1h0cA1 TYR 204 HB3 -0.08 0.04 -0.14 -0.04 2.98 2.76 1h0cA1 TYR 204 HD2 -0.04 0.06 -0.22 -0.04 7.15 6.91 1h0cA1 TYR 204 HE2 0.05 -0.03 -0.18 -0.04 6.85 6.65 1h0cA1 SER 205 H 0.24 0.60 0.33 -0.55 8.46 9.08 1h0cA1 SER 205 HA -0.09 -0.07 0.45 -0.75 4.49 4.03 1h0cA1 SER 205 HB2 0.14 0.02 -0.21 -0.04 3.95 3.86 1h0cA1 SER 205 HB3 0.19 0.02 -0.03 -0.04 3.93 4.07 1h0cA1 GLY 206 H -0.02 0.17 0.28 -0.55 8.43 8.31 1h0cA1 GLY 206 HA2 0.04 0.23 0.93 -0.51 4.01 4.70 1h0cA1 GLY 206 HA3 0.00 -0.05 0.41 -0.51 4.01 3.86 1h0cA1 SER 207 H 0.03 0.25 0.21 -0.55 8.46 8.41 1h0cA1 SER 207 HA 0.02 0.21 0.65 -0.75 4.49 4.61 1h0cA1 SER 207 HB2 0.04 0.06 -0.03 -0.04 3.95 3.98 1h0cA1 SER 207 HB3 0.03 -0.02 -0.14 -0.04 3.93 3.76 1h0cA1 GLN 208 H 0.03 -0.08 -0.07 -0.55 8.47 7.81 1h0cA1 GLN 208 HA 0.03 0.48 0.75 -0.75 4.36 4.87 1h0cA1 GLN 208 HB2 0.04 0.07 0.19 -0.04 2.15 2.41 1h0cA1 GLN 208 HB3 0.04 -0.07 -0.10 -0.04 2.02 1.85 1h0cA1 GLN 208 HG2 0.03 0.07 -0.29 -0.04 2.40 2.18 1h0cA1 GLN 208 HG3 0.05 0.03 0.04 -0.04 2.39 2.46 1h0cA1 GLN 208 HE21 0.05 -0.19 0.08 -0.04 6.97 6.87 1h0cA1 GLN 208 HE22 0.06 0.13 -0.01 -0.04 7.69 7.82 1h0cA1 LYS 209 H 0.01 0.06 -0.39 -0.55 8.42 7.54 1h0cA1 LYS 209 HA 0.02 0.26 0.73 -0.75 4.32 4.58 1h0cA1 LYS 209 HB2 -0.02 -0.02 0.12 -0.04 1.87 1.92 1h0cA1 LYS 209 HB3 -0.02 -0.13 0.27 -0.04 1.79 1.86 1h0cA1 LYS 209 HG2 -0.05 -0.09 -0.05 -0.04 1.46 1.23 1h0cA1 LYS 209 HG3 0.00 0.16 -0.03 -0.04 1.46 1.55 1h0cA1 LYS 209 HD2 0.02 0.02 -0.12 -0.04 1.69 1.57 1h0cA1 LYS 209 HD3 -0.02 -0.22 -0.11 -0.04 1.68 1.29 1h0cA1 LYS 209 HE2 -0.03 -0.11 -0.02 -0.04 2.99 2.79 1h0cA1 LYS 209 HE3 0.04 0.61 0.14 -0.04 2.99 3.74 1h0cA1 ALA 210 H -0.01 0.26 0.08 -0.55 8.40 8.19 1h0cA1 ALA 210 HA 0.09 -0.04 0.16 -0.75 4.34 3.80 1h0cA1 ALA 210 HB3 -0.05 0.10 0.09 -0.04 1.41 1.51 1h0cA1 LEU 211 H 0.02 -0.05 -0.61 -0.55 8.37 7.18 1h0cA1 LEU 211 HA 0.04 0.12 0.45 -0.75 4.35 4.20 1h0cA1 LEU 211 HB2 0.02 -0.08 -0.02 -0.04 1.64 1.52 1h0cA1 LEU 211 HB3 0.03 0.13 -0.09 -0.04 1.64 1.67 1h0cA1 LEU 211 HG 0.02 0.01 -0.11 -0.04 1.64 1.52 1h0cA1 LEU 211 HD13 0.03 0.00 -0.07 -0.04 0.93 0.85 1h0cA1 LEU 211 HD23 -0.00 -0.02 -0.09 -0.04 0.89 0.74 1h0cA1 ASN 212 H 0.04 0.40 -0.41 -0.55 8.53 8.02 1h0cA1 ASN 212 HA 0.04 0.09 0.19 -0.75 4.76 4.33 1h0cA1 ASN 212 HB2 0.04 0.14 0.03 -0.04 2.88 3.05 1h0cA1 ASN 212 HB3 0.04 0.02 0.29 -0.04 2.79 3.09 1h0cA1 ASN 212 HD21 0.06 0.06 -0.16 -0.04 7.03 6.95 1h0cA1 ASN 212 HD22 0.05 0.11 -0.08 -0.04 7.74 7.77 1h0cA1 ALA 213 H 0.04 0.41 0.02 -0.55 8.40 8.31 1h0cA1 ALA 213 HA 0.04 0.15 0.76 -0.75 4.34 4.55 1h0cA1 ALA 213 HB3 0.04 -0.01 -0.05 -0.04 1.41 1.35 1h0cA1 PRO 214 HA 0.04 0.14 0.55 -0.51 4.44 4.67 1h0cA1 PRO 214 HB2 0.04 0.08 0.02 -0.04 2.28 2.39 1h0cA1 PRO 214 HB3 0.04 0.03 0.07 -0.04 2.02 2.11 1h0cA1 PRO 214 HG2 0.05 -0.02 0.01 -0.04 2.03 2.02 1h0cA1 PRO 214 HG3 0.04 0.05 0.01 -0.04 2.03 2.09 1h0cA1 PRO 214 HD2 0.05 0.03 0.08 -0.04 3.68 3.81 1h0cA1 PRO 214 HD3 0.04 0.14 0.05 -0.04 3.65 3.84 1h0cA1 PRO 215 HA 0.05 -0.09 0.53 -0.51 4.44 4.42 1h0cA1 PRO 215 HB2 0.05 -0.01 0.03 -0.04 2.28 2.31 1h0cA1 PRO 215 HB3 0.05 -0.04 0.14 -0.04 2.02 2.13 1h0cA1 PRO 215 HG2 0.04 0.05 0.06 -0.04 2.03 2.14 1h0cA1 PRO 215 HG3 0.04 0.07 0.08 -0.04 2.03 2.19 1h0cA1 PRO 215 HD2 0.04 0.12 0.23 -0.04 3.68 4.03 1h0cA1 PRO 215 HD3 0.04 0.20 0.19 -0.04 3.65 4.05 1h0cA1 GLY 216 H 0.06 0.01 0.14 -0.55 8.43 8.09 1h0cA1 GLY 216 HA2 0.07 -0.10 0.18 -0.51 4.01 3.66 1h0cA1 GLY 216 HA3 0.06 0.30 0.81 -0.51 4.01 4.68 1h0cA1 THR 217 H 0.06 0.11 -0.04 -0.55 8.28 7.86 1h0cA1 THR 217 HA 0.08 0.36 1.12 -0.75 4.39 5.19 1h0cA1 THR 217 HB 0.07 -0.00 0.09 -0.04 4.32 4.44 1h0cA1 THR 217 HG23 0.11 -0.00 -0.20 -0.04 1.22 1.09 1h0cA1 SER 218 H 0.03 0.40 0.34 -0.55 8.46 8.68 1h0cA1 SER 218 HA 0.04 0.01 0.68 -0.75 4.49 4.45 1h0cA1 SER 218 HB2 0.07 0.05 0.07 -0.04 3.95 4.10 1h0cA1 SER 218 HB3 0.06 -0.13 -0.36 -0.04 3.93 3.46 1h0cA1 LEU 219 H 0.06 0.57 0.28 -0.55 8.37 8.73 1h0cA1 LEU 219 HA -0.12 0.27 0.99 -0.75 4.35 4.73 1h0cA1 LEU 219 HB2 -0.03 -0.10 -0.02 -0.04 1.64 1.44 1h0cA1 LEU 219 HB3 -0.32 0.09 -0.02 -0.04 1.64 1.36 1h0cA1 LEU 219 HG -0.03 -0.04 -0.23 -0.04 1.64 1.30 1h0cA1 LEU 219 HD13 -0.21 0.02 -0.14 -0.04 0.93 0.56 1h0cA1 LEU 219 HD23 -0.07 -0.02 -0.39 -0.04 0.89 0.36 1h0cA1 ILE 220 H -0.12 0.68 0.36 -0.55 8.25 8.62 1h0cA1 ILE 220 HA 0.13 0.33 1.08 -0.75 4.18 4.97 1h0cA1 ILE 220 HB -0.05 -0.10 -0.32 -0.04 1.89 1.38 1h0cA1 ILE 220 HG12 -0.73 0.01 -0.13 -0.04 1.49 0.60 1h0cA1 ILE 220 HG13 -0.15 0.06 0.04 -0.04 1.21 1.13 1h0cA1 ILE 220 HG23 -0.08 0.05 -0.25 -0.04 0.93 0.60 1h0cA1 ILE 220 HD13 -0.08 -0.02 -0.15 -0.04 0.88 0.58 1h0cA1 SER 221 H -0.13 0.44 0.32 -0.55 8.46 8.53 1h0cA1 SER 221 HA -0.02 0.30 0.87 -0.75 4.49 4.88 1h0cA1 SER 221 HB2 0.38 -0.01 -0.20 -0.04 3.95 4.09 1h0cA1 SER 221 HB3 0.13 -0.11 -0.06 -0.04 3.93 3.86 1h0cA1 PHE 222 H 0.17 0.79 0.26 -0.55 8.34 9.00 1h0cA1 PHE 222 HA 0.05 0.30 1.21 -0.75 4.62 5.42 1h0cA1 PHE 222 HB2 0.05 -0.01 0.08 -0.04 3.15 3.23 1h0cA1 PHE 222 HB3 0.05 0.02 -0.07 -0.04 3.06 3.02 1h0cA1 PHE 222 HD2 0.03 0.04 -0.10 -0.04 7.28 7.21 1h0cA1 PHE 222 HE2 -0.01 0.00 -0.14 -0.04 7.38 7.20 1h0cA1 PHE 222 HZ -0.02 0.04 -0.19 -0.04 7.32 7.10 1h0cA1 SER 223 H 0.16 0.75 0.40 -0.55 8.46 9.23 1h0cA1 SER 223 HA 0.10 0.06 0.60 -0.75 4.49 4.50 1h0cA1 SER 223 HB2 0.09 -0.05 0.19 -0.04 3.95 4.15 1h0cA1 SER 223 HB3 0.09 0.25 0.25 -0.04 3.93 4.48 1h0cA1 ASP 224 H 0.06 0.17 0.20 -0.55 8.40 8.29 1h0cA1 ASP 224 HA 0.04 0.11 0.42 -0.75 4.63 4.45 1h0cA1 ASP 224 HB2 0.04 -0.03 0.16 -0.04 2.71 2.83 1h0cA1 ASP 224 HB3 0.02 0.08 0.05 -0.04 2.70 2.80 1h0cA1 LYS 225 H 0.05 -0.01 -0.39 -0.55 8.42 7.52 1h0cA1 LYS 225 HA 0.01 0.14 0.42 -0.75 4.32 4.14 1h0cA1 LYS 225 HB2 0.00 0.01 0.06 -0.04 1.87 1.91 1h0cA1 LYS 225 HB3 0.02 -0.11 0.12 -0.04 1.79 1.77 1h0cA1 LYS 225 HG2 -0.05 0.04 -0.19 -0.04 1.46 1.22 1h0cA1 LYS 225 HG3 -0.06 0.06 -0.03 -0.04 1.46 1.39 1h0cA1 LYS 225 HD2 -0.26 -0.08 -0.01 -0.04 1.69 1.30 1h0cA1 LYS 225 HD3 -0.32 0.13 -0.13 -0.04 1.68 1.32 1h0cA1 LYS 225 HE2 -0.77 0.05 -0.00 -0.04 2.99 2.23 1h0cA1 LYS 225 HE3 -0.15 0.05 -0.02 -0.04 2.99 2.82 1h0cA1 ALA 226 H 0.07 0.02 -0.00 -0.55 8.40 7.95 1h0cA1 ALA 226 HA 0.04 0.10 0.34 -0.75 4.34 4.07 1h0cA1 ALA 226 HB3 0.20 -0.00 0.06 -0.04 1.41 1.62 1h0cA1 LYS 227 H 0.07 0.49 -0.52 -0.55 8.42 7.91 1h0cA1 LYS 227 HA -0.00 0.01 0.36 -0.75 4.32 3.93 1h0cA1 LYS 227 HB2 0.08 0.03 -0.12 -0.04 1.87 1.82 1h0cA1 LYS 227 HB3 0.03 0.10 0.12 -0.04 1.79 1.99 1h0cA1 LYS 227 HG2 -0.07 0.03 -0.19 -0.04 1.46 1.19 1h0cA1 LYS 227 HG3 0.07 -0.03 -0.05 -0.04 1.46 1.41 1h0cA1 LYS 227 HD2 0.03 -0.05 -0.06 -0.04 1.69 1.57 1h0cA1 LYS 227 HD3 -0.02 -0.04 -0.00 -0.04 1.68 1.57 1h0cA1 LYS 227 HE2 -0.25 0.02 -0.05 -0.04 2.99 2.67 1h0cA1 LYS 227 HE3 -0.14 0.00 -0.07 -0.04 2.99 2.73 1h0cA1 LYS 228 H 0.02 0.58 -0.00 -0.55 8.42 8.47 1h0cA1 LYS 228 HA 0.03 -0.03 0.32 -0.75 4.32 3.89 1h0cA1 LYS 228 HB2 -0.00 -0.01 0.17 -0.04 1.87 1.98 1h0cA1 LYS 228 HB3 0.01 0.08 0.14 -0.04 1.79 1.98 1h0cA1 LYS 228 HG2 0.01 0.05 -0.18 -0.04 1.46 1.30 1h0cA1 LYS 228 HG3 0.00 -0.03 0.03 -0.04 1.46 1.42 1h0cA1 LYS 228 HD2 -0.01 -0.05 0.01 -0.04 1.69 1.60 1h0cA1 LYS 228 HD3 -0.00 0.00 -0.02 -0.04 1.68 1.62 1h0cA1 LYS 228 HE2 -0.01 -0.04 -0.01 -0.04 2.99 2.89 1h0cA1 LYS 228 HE3 -0.00 0.04 -0.03 -0.04 2.99 2.96 1h0cA1 LYS 229 H 0.01 0.33 -0.26 -0.55 8.42 7.94 1h0cA1 LYS 229 HA -0.00 0.04 0.36 -0.75 4.32 3.97 1h0cA1 LYS 229 HB2 -0.00 -0.04 0.07 -0.04 1.87 1.86 1h0cA1 LYS 229 HB3 -0.01 0.00 0.11 -0.04 1.79 1.86 1h0cA1 LYS 229 HG2 -0.03 0.04 -0.08 -0.04 1.46 1.36 1h0cA1 LYS 229 HG3 -0.02 -0.01 -0.03 -0.04 1.46 1.35 1h0cA1 LYS 229 HD2 -0.00 -0.04 0.04 -0.04 1.69 1.65 1h0cA1 LYS 229 HD3 -0.00 -0.04 0.00 -0.04 1.68 1.60 1h0cA1 LYS 229 HE2 -0.03 0.05 0.03 -0.04 2.99 3.01 1h0cA1 LYS 229 HE3 -0.01 -0.06 0.05 -0.04 2.99 2.94 1h0cA1 MET 230 H -0.03 0.40 -0.21 -0.55 8.47 8.09 1h0cA1 MET 230 HA -0.12 0.19 0.49 -0.75 4.52 4.33 1h0cA1 MET 230 HB2 -0.14 0.07 0.19 -0.04 2.15 2.23 1h0cA1 MET 230 HB3 -0.30 -0.17 -0.01 -0.04 2.03 1.51 1h0cA1 MET 230 HG2 -0.20 0.34 -0.14 -0.04 2.63 2.59 1h0cA1 MET 230 HG3 -0.16 0.06 0.01 -0.04 2.56 2.43 1h0cA1 MET 230 HE3 -0.71 -0.02 -0.20 -0.04 2.10 1.12 1h0cA1 TYR 231 H 0.17 0.49 -0.12 -0.55 8.29 8.27 1h0cA1 TYR 231 HA -0.07 0.05 0.60 -0.75 4.56 4.39 1h0cA1 TYR 231 HB2 -0.06 0.06 0.04 -0.04 3.06 3.07 1h0cA1 TYR 231 HB3 -0.05 -0.05 0.16 -0.04 2.98 2.99 1h0cA1 TYR 231 HD2 -0.08 0.11 -0.00 -0.04 7.15 7.14 1h0cA1 TYR 231 HE2 -0.09 -0.04 -0.06 -0.04 6.85 6.62 1h0cA1 SER 232 H 0.00 0.40 -0.71 -0.55 8.46 7.60 1h0cA1 SER 232 HA 0.01 0.11 0.64 -0.75 4.49 4.49 1h0cA1 SER 232 HB2 0.01 -0.11 0.16 -0.04 3.95 3.97 1h0cA1 SER 232 HB3 0.03 -0.02 -0.21 -0.04 3.93 3.69 1h0cA1 ARG 233 H -0.05 0.21 0.04 -0.55 8.46 8.10 1h0cA1 ARG 233 HA -0.03 0.09 0.81 -0.75 4.34 4.45 1h0cA1 ARG 233 HB2 -0.07 -0.18 0.14 -0.04 1.90 1.76 1h0cA1 ARG 233 HB3 -0.06 0.13 0.13 -0.04 1.80 1.96 1h0cA1 ARG 233 HG2 -0.10 0.19 0.21 -0.04 1.67 1.93 1h0cA1 ARG 233 HG3 -0.10 0.12 0.01 -0.04 1.67 1.66 1h0cA1 ARG 233 HD2 -0.11 0.10 -0.01 -0.04 3.22 3.16 1h0cA1 ARG 233 HD3 -0.14 -0.08 0.12 -0.04 3.22 3.07 1h0cA1 LYS 234 H -0.03 0.08 0.16 -0.55 8.42 8.08 1h0cA1 LYS 234 HA -0.02 0.24 0.90 -0.75 4.32 4.69 1h0cA1 LYS 234 HB2 -0.01 0.01 0.07 -0.04 1.87 1.90 1h0cA1 LYS 234 HB3 -0.01 -0.02 0.01 -0.04 1.79 1.73 1h0cA1 LYS 234 HG2 -0.00 -0.04 0.01 -0.04 1.46 1.39 1h0cA1 LYS 234 HG3 -0.00 -0.04 0.07 -0.04 1.46 1.44 1h0cA1 LYS 234 HD2 -0.01 0.19 -0.08 -0.04 1.69 1.75 1h0cA1 LYS 234 HD3 -0.00 -0.01 -0.07 -0.04 1.68 1.55 1h0cA1 LYS 234 HE2 -0.00 -0.01 0.03 -0.04 2.99 2.97 1h0cA1 LYS 234 HE3 -0.00 0.00 -0.01 -0.04 2.99 2.94 1h0cA1 THR 235 H -0.05 0.01 0.05 -0.55 8.28 7.74 1h0cA1 THR 235 HA -0.04 0.06 0.61 -0.75 4.39 4.27 1h0cA1 THR 235 HB -0.09 -0.01 0.07 -0.04 4.32 4.25 1h0cA1 THR 235 HG23 -0.21 -0.02 -0.19 -0.04 1.22 0.76 1h0cA1 LYS 236 H -0.06 0.09 0.13 -0.55 8.42 8.03 1h0cA1 LYS 236 HA -0.07 0.15 0.63 -0.75 4.32 4.27 1h0cA1 LYS 236 HB2 -0.01 -0.08 0.10 -0.04 1.87 1.85 1h0cA1 LYS 236 HB3 0.01 0.10 -0.06 -0.04 1.79 1.80 1h0cA1 LYS 236 HG2 0.02 0.02 0.01 -0.04 1.46 1.47 1h0cA1 LYS 236 HG3 0.01 0.02 -0.03 -0.04 1.46 1.41 1h0cA1 LYS 236 HD2 0.06 -0.03 -0.00 -0.04 1.69 1.67 1h0cA1 LYS 236 HD3 0.11 0.00 -0.02 -0.04 1.68 1.72 1h0cA1 LYS 236 HE2 0.10 0.00 -0.01 -0.04 2.99 3.04 1h0cA1 LYS 236 HE3 0.06 0.01 -0.01 -0.04 2.99 3.00 1h0cA1 PRO 237 HA -0.47 0.12 0.45 -0.51 4.44 4.04 1h0cA1 PRO 237 HB2 -0.10 -0.17 -0.05 -0.04 2.28 1.92 1h0cA1 PRO 237 HB3 -0.16 0.34 0.15 -0.04 2.02 2.31 1h0cA1 PRO 237 HG2 -0.06 0.03 0.08 -0.04 2.03 2.04 1h0cA1 PRO 237 HG3 -0.11 -0.07 0.10 -0.04 2.03 1.91 1h0cA1 PRO 237 HD2 -0.07 -0.00 0.24 -0.04 3.68 3.80 1h0cA1 PRO 237 HD3 -0.14 0.29 0.19 -0.04 3.65 3.95 1h0cA1 PHE 238 H -0.74 0.20 0.18 -0.55 8.34 7.43 1h0cA1 PHE 238 HA 0.03 0.09 0.36 -0.75 4.62 4.34 1h0cA1 PHE 238 HB2 0.01 -0.06 0.07 -0.04 3.15 3.13 1h0cA1 PHE 238 HB3 0.01 -0.04 0.07 -0.04 3.06 3.06 1h0cA1 PHE 238 HD2 0.00 -0.05 0.07 -0.04 7.28 7.26 1h0cA1 PHE 238 HE2 -0.00 0.15 0.11 -0.04 7.38 7.59 1h0cA1 PHE 238 HZ -0.00 -0.01 0.07 -0.04 7.32 7.34 1h0cA1 SER 239 H 0.07 0.08 -0.39 -0.55 8.46 7.67 1h0cA1 SER 239 HA 0.13 0.13 0.77 -0.75 4.49 4.76 1h0cA1 SER 239 HB2 0.10 0.06 -0.07 -0.04 3.95 4.00 1h0cA1 SER 239 HB3 0.06 0.10 -0.09 -0.04 3.93 3.95 1h0cA1 PHE 240 H 0.21 0.09 0.17 -0.55 8.34 8.26 1h0cA1 PHE 240 HA -0.00 0.23 0.71 -0.75 4.62 4.81 1h0cA1 PHE 240 HB2 -0.04 0.10 0.05 -0.04 3.15 3.22 1h0cA1 PHE 240 HB3 -0.05 -0.06 0.13 -0.04 3.06 3.04 1h0cA1 PHE 240 HD2 -0.15 0.00 -0.08 -0.04 7.28 7.01 1h0cA1 PHE 240 HE2 -0.55 0.05 -0.03 -0.04 7.38 6.81 1h0cA1 PHE 240 HZ -1.43 0.05 0.01 -0.04 7.32 5.91 1h0cA1 TYR 241 H 0.23 0.04 0.09 -0.55 8.29 8.10 1h0cA1 TYR 241 HA -0.15 0.12 0.31 -0.75 4.56 4.08 1h0cA1 TYR 241 HB2 -0.02 0.01 0.10 -0.04 3.06 3.11 1h0cA1 TYR 241 HB3 -0.03 -0.03 0.01 -0.04 2.98 2.89 1h0cA1 TYR 241 HD2 -0.12 -0.02 -0.08 -0.04 7.15 6.88 1h0cA1 TYR 241 HE2 -0.06 0.01 -0.02 -0.04 6.85 6.73 1h0cA1 LEU 242 H 0.05 -0.01 -0.61 -0.55 8.37 7.25 1h0cA1 LEU 242 HA -0.12 0.23 0.71 -0.75 4.35 4.42 1h0cA1 LEU 242 HB2 0.02 0.01 -0.14 -0.04 1.64 1.49 1h0cA1 LEU 242 HB3 -0.01 0.02 0.05 -0.04 1.64 1.66 1h0cA1 LEU 242 HG 0.15 -0.11 -0.23 -0.04 1.64 1.42 1h0cA1 LEU 242 HD13 0.06 0.00 -0.17 -0.04 0.93 0.78 1h0cA1 LEU 242 HD23 -0.00 0.05 -0.28 -0.04 0.89 0.62 1h0cA1 ASP 243 H -0.16 0.43 -0.50 -0.55 8.40 7.62 1h0cA1 ASP 243 HA -0.09 0.12 0.42 -0.75 4.63 4.33 1h0cA1 ASP 243 HB2 -0.09 0.24 0.19 -0.04 2.71 3.01 1h0cA1 ASP 243 HB3 -0.18 -0.01 0.20 -0.04 2.70 2.67 1h0cA1 ILE 244 H -0.13 0.33 0.23 -0.55 8.25 8.13 1h0cA1 ILE 244 HA -0.06 -0.00 0.23 -0.75 4.18 3.59 1h0cA1 ILE 244 HB -0.18 0.13 0.09 -0.04 1.89 1.88 1h0cA1 ILE 244 HG12 -0.43 0.07 -0.09 -0.04 1.49 1.00 1h0cA1 ILE 244 HG13 -0.09 -0.08 -0.06 -0.04 1.21 0.94 1h0cA1 ILE 244 HG23 -0.36 0.03 -0.12 -0.04 0.93 0.44 1h0cA1 ILE 244 HD13 0.15 -0.01 -0.13 -0.04 0.88 0.85 1h0cA1 LYS 245 H -0.18 0.15 -0.30 -0.55 8.42 7.53 1h0cA1 LYS 245 HA -0.27 0.10 0.39 -0.75 4.32 3.78 1h0cA1 LYS 245 HB2 -0.15 -0.03 0.04 -0.04 1.87 1.68 1h0cA1 LYS 245 HB3 -0.26 0.03 0.00 -0.04 1.79 1.52 1h0cA1 LYS 245 HG2 -0.65 0.05 -0.00 -0.04 1.46 0.81 1h0cA1 LYS 245 HG3 -0.42 -0.06 0.01 -0.04 1.46 0.95 1h0cA1 LYS 245 HD2 -0.13 -0.04 0.03 -0.04 1.69 1.51 1h0cA1 LYS 245 HD3 -0.17 -0.02 0.00 -0.04 1.68 1.45 1h0cA1 LYS 245 HE2 -0.22 0.00 0.03 -0.04 2.99 2.76 1h0cA1 LYS 245 HE3 -0.28 0.14 0.06 -0.04 2.99 2.87 1h0cA1 TRP 246 H 0.05 0.21 -0.22 -0.55 7.97 7.47 1h0cA1 TRP 246 HA -0.14 0.09 0.44 -0.75 4.62 4.25 1h0cA1 TRP 246 HB2 -0.75 0.15 0.14 -0.04 3.23 2.73 1h0cA1 TRP 246 HB3 -1.02 -0.03 -0.07 -0.04 3.23 2.08 1h0cA1 TRP 246 HD1 -0.25 -0.03 0.03 -0.04 7.22 6.93 1h0cA1 TRP 246 HE1 0.16 0.02 -0.01 -0.04 10.20 10.33 1h0cA1 TRP 246 HE3 0.04 -0.03 -0.10 -0.04 7.59 7.47 1h0cA1 TRP 246 HZ2 0.24 -0.01 -0.01 -0.04 7.44 7.61 1h0cA1 TRP 246 HZ3 0.11 0.16 -0.11 -0.04 7.13 7.25 1h0cA1 TRP 246 HH2 0.16 -0.02 -0.01 -0.04 7.19 7.28 1h0cA1 LEU 247 H -0.09 0.61 -0.04 -0.55 8.37 8.30 1h0cA1 LEU 247 HA 0.22 -0.00 0.35 -0.75 4.35 4.17 1h0cA1 LEU 247 HB2 -0.06 0.17 -0.19 -0.04 1.64 1.52 1h0cA1 LEU 247 HB3 0.07 0.02 -0.11 -0.04 1.64 1.57 1h0cA1 LEU 247 HG 0.09 0.00 -0.10 -0.04 1.64 1.59 1h0cA1 LEU 247 HD13 0.08 -0.02 -0.03 -0.04 0.93 0.93 1h0cA1 LEU 247 HD23 -0.11 -0.01 -0.29 -0.04 0.89 0.45 1h0cA1 ALA 248 H 0.06 0.88 -0.12 -0.55 8.40 8.68 1h0cA1 ALA 248 HA 0.19 0.01 0.21 -0.75 4.34 3.99 1h0cA1 ALA 248 HB3 0.12 0.00 -0.01 -0.04 1.41 1.49 1h0cA1 ASN 249 H 0.08 0.38 -0.38 -0.55 8.53 8.06 1h0cA1 ASN 249 HA 0.04 -0.10 0.40 -0.75 4.76 4.33 1h0cA1 ASN 249 HB2 -0.04 -0.04 0.11 -0.04 2.88 2.88 1h0cA1 ASN 249 HB3 0.00 0.18 0.19 -0.04 2.79 3.12 1h0cA1 ASN 249 HD21 -0.02 0.37 -0.19 -0.04 7.03 7.15 1h0cA1 ASN 249 HD22 -0.03 -0.13 -0.07 -0.04 7.74 7.47 1h0cA1 PHE 250 H 0.29 0.57 -0.08 -0.55 8.34 8.56 1h0cA1 PHE 250 HA -0.03 -0.04 0.45 -0.75 4.62 4.25 1h0cA1 PHE 250 HB2 0.13 0.07 0.18 -0.04 3.15 3.48 1h0cA1 PHE 250 HB3 0.10 0.06 0.16 -0.04 3.06 3.33 1h0cA1 PHE 250 HD2 -0.17 0.07 -0.07 -0.04 7.28 7.06 1h0cA1 PHE 250 HE2 -0.06 -0.06 -0.04 -0.04 7.38 7.19 1h0cA1 PHE 250 HZ 0.06 0.20 0.10 -0.04 7.32 7.64 1h0cA1 TRP 251 H 0.39 0.53 -0.14 -0.55 7.97 8.20 1h0cA1 TRP 251 HA -0.17 0.03 0.49 -0.75 4.62 4.21 1h0cA1 TRP 251 HB2 0.05 0.07 0.07 -0.04 3.23 3.38 1h0cA1 TRP 251 HB3 0.01 0.05 0.18 -0.04 3.23 3.42 1h0cA1 TRP 251 HD1 0.20 0.22 0.05 -0.04 7.22 7.65 1h0cA1 TRP 251 HE1 0.25 -0.02 0.03 -0.04 10.20 10.42 1h0cA1 TRP 251 HE3 0.01 0.13 0.10 -0.04 7.59 7.79 1h0cA1 TRP 251 HZ2 0.14 -0.02 -0.02 -0.04 7.44 7.49 1h0cA1 TRP 251 HZ3 0.04 0.09 0.09 -0.04 7.13 7.31 1h0cA1 TRP 251 HH2 0.08 -0.02 -0.01 -0.04 7.19 7.19 1h0cA1 GLY 252 H -0.09 0.35 -0.84 -0.55 8.43 7.31 1h0cA1 GLY 252 HA2 -0.11 0.04 0.30 -0.51 4.01 3.74 1h0cA1 GLY 252 HA3 -0.09 0.00 0.48 -0.51 4.01 3.88 1h0cA1 CYS 253 H 0.09 0.60 -0.09 -0.55 8.50 8.54 1h0cA1 CYS 253 HA 0.04 0.17 0.67 -0.75 4.58 4.71 1h0cA1 CYS 253 HB2 0.10 -0.12 -0.08 -0.04 2.97 2.83 1h0cA1 CYS 253 HB3 0.07 -0.06 -0.04 -0.04 2.97 2.91 1h0cA1 ASP 254 H 0.01 0.07 -0.26 -0.55 8.40 7.67 1h0cA1 ASP 254 HA -0.03 0.14 0.54 -0.75 4.63 4.52 1h0cA1 ASP 254 HB2 -0.01 0.17 -0.01 -0.04 2.71 2.82 1h0cA1 ASP 254 HB3 -0.03 -0.49 0.15 -0.04 2.70 2.29 1h0cA1 ASP 255 H -0.04 0.09 0.14 -0.55 8.40 8.04 1h0cA1 ASP 255 HA -0.03 0.19 0.59 -0.75 4.63 4.63 1h0cA1 ASP 255 HB2 -0.03 -0.00 0.12 -0.04 2.71 2.75 1h0cA1 ASP 255 HB3 -0.04 0.01 0.04 -0.04 2.70 2.68 1h0cA1 GLN 256 H -0.03 -0.06 -0.11 -0.55 8.47 7.72 1h0cA1 GLN 256 HA -0.03 0.24 0.88 -0.75 4.36 4.69 1h0cA1 GLN 256 HB2 -0.04 -0.03 0.02 -0.04 2.15 2.05 1h0cA1 GLN 256 HB3 -0.03 0.10 0.06 -0.04 2.02 2.10 1h0cA1 GLN 256 HG2 -0.04 -0.14 -0.06 -0.04 2.40 2.12 1h0cA1 GLN 256 HG3 -0.05 0.02 -0.01 -0.04 2.39 2.31 1h0cA1 GLN 256 HE21 -0.02 0.01 -0.07 -0.04 6.97 6.84 1h0cA1 GLN 256 HE22 -0.03 -0.09 -0.17 -0.04 7.69 7.36 1h0cA1 PRO 257 HA -0.05 0.03 0.43 -0.51 4.44 4.35 1h0cA1 PRO 257 HB2 0.01 0.01 -0.04 -0.04 2.28 2.23 1h0cA1 PRO 257 HB3 0.00 0.01 0.08 -0.04 2.02 2.07 1h0cA1 PRO 257 HG2 0.00 0.01 0.07 -0.04 2.03 2.06 1h0cA1 PRO 257 HG3 -0.01 0.05 0.07 -0.04 2.03 2.10 1h0cA1 PRO 257 HD2 -0.01 0.07 0.17 -0.04 3.68 3.86 1h0cA1 PRO 257 HD3 -0.02 0.16 0.23 -0.04 3.65 3.98 1h0cA1 ARG 258 H -0.12 0.06 0.16 -0.55 8.46 8.01 1h0cA1 ARG 258 HA -0.03 0.15 0.39 -0.75 4.34 4.09 1h0cA1 ARG 258 HB2 -0.22 -0.11 0.14 -0.04 1.90 1.68 1h0cA1 ARG 258 HB3 -0.34 0.07 0.12 -0.04 1.80 1.61 1h0cA1 ARG 258 HG2 -0.32 0.11 0.15 -0.04 1.67 1.57 1h0cA1 ARG 258 HG3 -0.47 -0.12 0.15 -0.04 1.67 1.19 1h0cA1 ARG 258 HD2 -2.00 -0.13 0.08 -0.04 3.22 1.13 1h0cA1 ARG 258 HD3 -0.86 0.59 0.21 -0.04 3.22 3.12 1h0cA1 MET 259 H 0.17 0.17 0.10 -0.55 8.47 8.36 1h0cA1 MET 259 HA 0.22 0.09 0.81 -0.75 4.52 4.88 1h0cA1 MET 259 HB2 0.07 0.08 -0.06 -0.04 2.15 2.20 1h0cA1 MET 259 HB3 0.09 -0.01 0.05 -0.04 2.03 2.12 1h0cA1 MET 259 HG2 0.37 0.11 -0.20 -0.04 2.63 2.86 1h0cA1 MET 259 HG3 0.22 -0.08 0.03 -0.04 2.56 2.69 1h0cA1 MET 259 HE3 -0.59 -0.00 -0.05 -0.04 2.10 1.41 1h0cA1 TYR 260 H 0.36 0.10 0.10 -0.55 8.29 8.30 1h0cA1 TYR 260 HA 0.04 -0.00 0.36 -0.75 4.56 4.20 1h0cA1 TYR 260 HB2 0.09 -0.02 0.05 -0.04 3.06 3.14 1h0cA1 TYR 260 HB3 0.13 -0.00 0.12 -0.04 2.98 3.19 1h0cA1 TYR 260 HD2 -0.03 -0.01 -0.13 -0.04 7.15 6.94 1h0cA1 TYR 260 HE2 -0.08 -0.06 -0.29 -0.04 6.85 6.38 1h0cA1 HIS 261 H -0.50 0.09 0.18 -0.55 8.41 7.64 1h0cA1 HIS 261 HA -0.40 0.18 0.85 -0.75 4.63 4.49 1h0cA1 HIS 261 HB2 0.23 0.11 -0.02 -0.04 3.26 3.54 1h0cA1 HIS 261 HB3 -0.15 -0.10 0.19 -0.04 3.20 3.10 1h0cA1 HIS 261 HD2 -1.57 0.01 -0.01 -0.04 6.97 5.36 1h0cA1 HIS 261 HE1 -0.50 0.20 -0.01 -0.04 7.75 7.40 1h0cA1 HIS 262 H -0.43 0.25 0.22 -0.55 8.41 7.91 1h0cA1 HIS 262 HA -0.31 0.17 0.68 -0.75 4.63 4.43 1h0cA1 HIS 262 HB2 -0.02 -0.01 0.09 -0.04 3.26 3.28 1h0cA1 HIS 262 HB3 -0.46 0.05 -0.13 -0.04 3.20 2.62 1h0cA1 HIS 262 HD2 0.11 0.11 -0.21 -0.04 6.97 6.93 1h0cA1 HIS 262 HE1 0.20 0.03 -0.02 -0.04 7.75 7.92 1h0cA1 THR 263 H 0.10 0.17 0.10 -0.55 8.28 8.10 1h0cA1 THR 263 HA -0.11 0.07 0.74 -0.75 4.39 4.33 1h0cA1 THR 263 HB 0.05 0.01 0.18 -0.04 4.32 4.52 1h0cA1 THR 263 HG23 -0.00 0.02 -0.05 -0.04 1.22 1.15 1h0cA1 ILE 264 H -0.21 0.16 0.21 -0.55 8.25 7.86 1h0cA1 ILE 264 HA 0.02 0.12 0.32 -0.75 4.18 3.88 1h0cA1 ILE 264 HB 0.12 0.01 -0.09 -0.04 1.89 1.89 1h0cA1 ILE 264 HG12 -0.02 -0.05 0.23 -0.04 1.49 1.61 1h0cA1 ILE 264 HG13 0.01 -0.16 -0.04 -0.04 1.21 0.98 1h0cA1 ILE 264 HG23 0.05 0.03 0.02 -0.04 0.93 0.99 1h0cA1 ILE 264 HD13 0.10 0.04 0.03 -0.04 0.88 1.01 1h0cA1 PRO 265 HA 0.03 0.12 0.55 -0.51 4.44 4.64 1h0cA1 PRO 265 HB2 0.07 -0.05 0.12 -0.04 2.28 2.37 1h0cA1 PRO 265 HB3 0.10 0.11 0.08 -0.04 2.02 2.27 1h0cA1 PRO 265 HG2 0.14 -0.03 0.01 -0.04 2.03 2.11 1h0cA1 PRO 265 HG3 0.16 0.10 0.02 -0.04 2.03 2.26 1h0cA1 PRO 265 HD2 0.23 0.09 0.08 -0.04 3.68 4.05 1h0cA1 PRO 265 HD3 0.23 0.19 0.16 -0.04 3.65 4.20 1h0cA1 VAL 266 H -0.03 0.59 0.03 -0.55 8.24 8.29 1h0cA1 VAL 266 HA -0.08 0.04 0.28 -0.75 4.13 3.61 1h0cA1 VAL 266 HB -0.16 -0.04 0.15 -0.04 2.12 2.04 1h0cA1 VAL 266 HG13 -0.36 -0.01 -0.12 -0.04 0.97 0.44 1h0cA1 VAL 266 HG23 -0.04 0.09 0.06 -0.04 0.95 1.02 1h0cA1 ILE 267 H -0.21 0.13 -0.10 -0.55 8.25 7.52 1h0cA1 ILE 267 HA -0.71 0.12 0.39 -0.75 4.18 3.23 1h0cA1 ILE 267 HB -0.08 -0.06 0.05 -0.04 1.89 1.76 1h0cA1 ILE 267 HG12 -0.13 -0.12 0.06 -0.04 1.49 1.25 1h0cA1 ILE 267 HG13 -0.07 0.13 0.02 -0.04 1.21 1.25 1h0cA1 ILE 267 HG23 -0.01 0.04 0.02 -0.04 0.93 0.94 1h0cA1 ILE 267 HD13 -0.32 -0.01 -0.14 -0.04 0.88 0.36 1h0cA1 SER 268 H -0.04 0.11 -0.27 -0.55 8.46 7.72 1h0cA1 SER 268 HA 0.04 0.07 0.38 -0.75 4.49 4.22 1h0cA1 SER 268 HB2 0.06 0.14 0.03 -0.04 3.95 4.14 1h0cA1 SER 268 HB3 0.07 -0.04 -0.09 -0.04 3.93 3.82 1h0cA1 LEU 269 H 0.00 0.40 -0.31 -0.55 8.37 7.92 1h0cA1 LEU 269 HA 0.14 0.00 0.47 -0.75 4.35 4.21 1h0cA1 LEU 269 HB2 0.08 0.11 0.08 -0.04 1.64 1.87 1h0cA1 LEU 269 HB3 0.19 -0.03 -0.05 -0.04 1.64 1.71 1h0cA1 LEU 269 HG 0.14 0.14 -0.27 -0.04 1.64 1.61 1h0cA1 LEU 269 HD13 0.16 -0.01 -0.13 -0.04 0.93 0.90 1h0cA1 LEU 269 HD23 0.33 -0.01 -0.12 -0.04 0.89 1.05 1h0cA1 TYR 270 H 0.09 0.50 -0.07 -0.55 8.29 8.26 1h0cA1 TYR 270 HA 0.04 -0.03 0.37 -0.75 4.56 4.18 1h0cA1 TYR 270 HB2 0.03 0.23 0.15 -0.04 3.06 3.43 1h0cA1 TYR 270 HB3 0.02 -0.05 0.04 -0.04 2.98 2.96 1h0cA1 TYR 270 HD2 0.02 0.07 0.03 -0.04 7.15 7.23 1h0cA1 TYR 270 HE2 0.00 0.13 -0.10 -0.04 6.85 6.84 1h0cA1 SER 271 H 0.15 0.47 -0.18 -0.55 8.46 8.35 1h0cA1 SER 271 HA 0.09 0.01 0.42 -0.75 4.49 4.25 1h0cA1 SER 271 HB2 0.07 0.11 0.10 -0.04 3.95 4.19 1h0cA1 SER 271 HB3 0.06 -0.04 -0.01 -0.04 3.93 3.90 1h0cA1 LEU 272 H 0.10 0.55 -0.15 -0.55 8.37 8.31 1h0cA1 LEU 272 HA 0.05 0.04 0.47 -0.75 4.35 4.16 1h0cA1 LEU 272 HB2 0.07 0.03 0.07 -0.04 1.64 1.77 1h0cA1 LEU 272 HB3 0.10 0.08 0.11 -0.04 1.64 1.89 1h0cA1 LEU 272 HG 0.04 -0.01 -0.22 -0.04 1.64 1.41 1h0cA1 LEU 272 HD13 0.02 -0.02 -0.06 -0.04 0.93 0.83 1h0cA1 LEU 272 HD23 0.05 -0.01 -0.12 -0.04 0.89 0.76 1h0cA1 ARG 273 H 0.11 0.76 -0.13 -0.55 8.46 8.64 1h0cA1 ARG 273 HA 0.06 -0.02 0.41 -0.75 4.34 4.04 1h0cA1 ARG 273 HB2 0.11 0.10 0.13 -0.04 1.90 2.20 1h0cA1 ARG 273 HB3 0.08 0.18 0.22 -0.04 1.80 2.24 1h0cA1 ARG 273 HG2 0.05 -0.04 -0.00 -0.04 1.67 1.64 1h0cA1 ARG 273 HG3 0.06 -0.03 0.02 -0.04 1.67 1.68 1h0cA1 ARG 273 HD2 0.02 0.05 -0.13 -0.04 3.22 3.12 1h0cA1 ARG 273 HD3 0.02 -0.09 -0.37 -0.04 3.22 2.74 1h0cA1 GLU 274 H 0.06 0.57 -0.09 -0.55 8.60 8.60 1h0cA1 GLU 274 HA 0.02 -0.03 0.38 -0.75 4.29 3.90 1h0cA1 GLU 274 HB2 0.04 0.15 0.12 -0.04 2.09 2.36 1h0cA1 GLU 274 HB3 0.02 -0.09 -0.04 -0.04 1.99 1.85 1h0cA1 GLU 274 HG2 0.03 0.06 0.07 -0.04 2.34 2.46 1h0cA1 GLU 274 HG3 0.02 0.02 0.02 -0.04 2.34 2.36 1h0cA1 SER 275 H 0.04 0.40 -0.41 -0.55 8.46 7.94 1h0cA1 SER 275 HA 0.03 0.04 0.59 -0.75 4.49 4.39 1h0cA1 SER 275 HB2 0.03 0.35 0.08 -0.04 3.95 4.37 1h0cA1 SER 275 HB3 0.04 0.10 0.10 -0.04 3.93 4.13 1h0cA1 LEU 276 H 0.03 0.48 -0.19 -0.55 8.37 8.14 1h0cA1 LEU 276 HA 0.03 0.01 0.52 -0.75 4.35 4.16 1h0cA1 LEU 276 HB2 0.03 0.17 0.20 -0.04 1.64 1.99 1h0cA1 LEU 276 HB3 0.02 -0.07 0.01 -0.04 1.64 1.57 1h0cA1 LEU 276 HG 0.01 0.07 -0.02 -0.04 1.64 1.66 1h0cA1 LEU 276 HD13 -0.00 -0.03 -0.07 -0.04 0.93 0.79 1h0cA1 LEU 276 HD23 -0.01 -0.01 -0.10 -0.04 0.89 0.74 1h0cA1 ALA 277 H 0.01 0.58 -0.03 -0.55 8.40 8.41 1h0cA1 ALA 277 HA -0.03 0.02 0.43 -0.75 4.34 4.01 1h0cA1 ALA 277 HB3 -0.01 0.04 0.09 -0.04 1.41 1.49 1h0cA1 LEU 278 H 0.01 0.45 -0.36 -0.55 8.37 7.93 1h0cA1 LEU 278 HA -0.00 -0.00 0.36 -0.75 4.35 3.94 1h0cA1 LEU 278 HB2 0.02 0.19 0.23 -0.04 1.64 2.03 1h0cA1 LEU 278 HB3 0.02 -0.01 -0.07 -0.04 1.64 1.54 1h0cA1 LEU 278 HG 0.01 -0.07 0.05 -0.04 1.64 1.59 1h0cA1 LEU 278 HD13 0.00 0.03 0.02 -0.04 0.93 0.94 1h0cA1 LEU 278 HD23 0.02 -0.00 0.02 -0.04 0.89 0.88 1h0cA1 ILE 279 H 0.02 0.44 -0.15 -0.55 8.25 8.02 1h0cA1 ILE 279 HA 0.02 0.04 0.58 -0.75 4.18 4.06 1h0cA1 ILE 279 HB 0.04 0.10 0.12 -0.04 1.89 2.10 1h0cA1 ILE 279 HG12 0.06 -0.08 -0.11 -0.04 1.49 1.32 1h0cA1 ILE 279 HG13 0.01 -0.03 0.03 -0.04 1.21 1.18 1h0cA1 ILE 279 HG23 0.08 0.02 0.03 -0.04 0.93 1.02 1h0cA1 ILE 279 HD13 0.01 0.01 -0.00 -0.04 0.88 0.86 1h0cA1 ALA 280 H -0.01 0.45 -0.35 -0.55 8.40 7.95 1h0cA1 ALA 280 HA -0.18 -0.04 0.44 -0.75 4.34 3.81 1h0cA1 ALA 280 HB3 -0.18 0.04 0.11 -0.04 1.41 1.34 1h0cA1 GLU 281 H -0.04 0.41 -0.22 -0.55 8.60 8.20 1h0cA1 GLU 281 HA -0.06 0.03 0.50 -0.75 4.29 4.00 1h0cA1 GLU 281 HB2 -0.03 0.12 0.17 -0.04 2.09 2.31 1h0cA1 GLU 281 HB3 -0.03 -0.05 -0.02 -0.04 1.99 1.85 1h0cA1 GLU 281 HG2 -0.04 -0.05 0.03 -0.04 2.34 2.24 1h0cA1 GLU 281 HG3 -0.04 0.03 0.01 -0.04 2.34 2.30 1h0cA1 GLN 282 H -0.02 0.34 -0.13 -0.55 8.47 8.11 1h0cA1 GLN 282 HA -0.03 0.04 0.54 -0.75 4.36 4.16 1h0cA1 GLN 282 HB2 -0.01 0.01 0.12 -0.04 2.15 2.23 1h0cA1 GLN 282 HB3 -0.01 0.01 0.17 -0.04 2.02 2.15 1h0cA1 GLN 282 HG2 -0.03 -0.02 -0.18 -0.04 2.40 2.13 1h0cA1 GLN 282 HG3 -0.02 -0.04 0.02 -0.04 2.39 2.31 1h0cA1 GLN 282 HE21 0.02 0.04 -0.06 -0.04 6.97 6.93 1h0cA1 GLN 282 HE22 -0.01 -0.05 -0.23 -0.04 7.69 7.36 1h0cA1 GLY 283 H -0.01 0.80 -0.04 -0.55 8.43 8.64 1h0cA1 GLY 283 HA2 0.05 0.05 0.38 -0.51 4.01 3.97 1h0cA1 GLY 283 HA3 -0.05 0.11 0.71 -0.51 4.01 4.26 1h0cA1 LEU 284 H -0.07 0.21 0.14 -0.55 8.37 8.09 1h0cA1 LEU 284 HA -0.50 0.10 0.38 -0.75 4.35 3.57 1h0cA1 LEU 284 HB2 -0.80 -0.04 0.13 -0.04 1.64 0.89 1h0cA1 LEU 284 HB3 -1.76 0.02 -0.04 -0.04 1.64 -0.18 1h0cA1 LEU 284 HG -0.51 -0.01 0.04 -0.04 1.64 1.12 1h0cA1 LEU 284 HD13 -0.56 0.07 0.06 -0.04 0.93 0.45 1h0cA1 LEU 284 HD23 -0.13 -0.00 0.07 -0.04 0.89 0.78 1h0cA1 GLU 285 H -0.51 0.10 -0.16 -0.55 8.60 7.49 1h0cA1 GLU 285 HA -0.38 0.07 0.44 -0.75 4.29 3.66 1h0cA1 GLU 285 HB2 -0.13 0.03 0.06 -0.04 2.09 2.01 1h0cA1 GLU 285 HB3 -0.01 0.04 0.02 -0.04 1.99 2.00 1h0cA1 GLU 285 HG2 -0.06 0.02 0.01 -0.04 2.34 2.27 1h0cA1 GLU 285 HG3 -0.40 -0.07 0.05 -0.04 2.34 1.87 1h0cA1 ASN 286 H -0.15 0.22 -0.20 -0.55 8.53 7.85 1h0cA1 ASN 286 HA -0.00 0.04 0.58 -0.75 4.76 4.62 1h0cA1 ASN 286 HB2 -0.05 0.22 0.07 -0.04 2.88 3.07 1h0cA1 ASN 286 HB3 -0.02 -0.05 0.05 -0.04 2.79 2.73 1h0cA1 ASN 286 HD21 -0.03 -0.10 0.09 -0.04 7.03 6.96 1h0cA1 ASN 286 HD22 -0.04 0.63 0.25 -0.04 7.74 8.54 1h0cA1 SER 287 H -0.13 0.57 -0.08 -0.55 8.46 8.27 1h0cA1 SER 287 HA 0.08 -0.03 0.34 -0.75 4.49 4.13 1h0cA1 SER 287 HB2 0.00 -0.05 0.09 -0.04 3.95 3.95 1h0cA1 SER 287 HB3 -0.13 0.03 0.14 -0.04 3.93 3.93 1h0cA1 TRP 288 H -0.10 0.53 -0.35 -0.55 7.97 7.49 1h0cA1 TRP 288 HA 0.03 0.08 0.27 -0.75 4.62 4.26 1h0cA1 TRP 288 HB2 0.01 0.09 0.08 -0.04 3.23 3.37 1h0cA1 TRP 288 HB3 0.00 -0.07 -0.09 -0.04 3.23 3.03 1h0cA1 TRP 288 HD1 -0.07 0.10 -0.58 -0.04 7.22 6.62 1h0cA1 TRP 288 HE1 -0.13 -0.09 -0.13 -0.04 10.20 9.80 1h0cA1 TRP 288 HE3 0.00 0.03 -0.05 -0.04 7.59 7.54 1h0cA1 TRP 288 HZ2 -0.32 0.14 0.04 -0.04 7.44 7.26 1h0cA1 TRP 288 HZ3 0.05 -0.01 -0.04 -0.04 7.13 7.09 1h0cA1 TRP 288 HH2 -0.47 0.04 -0.02 -0.04 7.19 6.70 1h0cA1 ARG 289 H 0.17 0.43 -0.15 -0.55 8.46 8.36 1h0cA1 ARG 289 HA 0.12 -0.00 0.56 -0.75 4.34 4.26 1h0cA1 ARG 289 HB2 0.10 0.07 0.18 -0.04 1.90 2.22 1h0cA1 ARG 289 HB3 0.06 0.07 0.24 -0.04 1.80 2.12 1h0cA1 ARG 289 HG2 0.04 -0.05 -0.02 -0.04 1.67 1.59 1h0cA1 ARG 289 HG3 0.06 -0.03 0.05 -0.04 1.67 1.71 1h0cA1 ARG 289 HD2 0.03 -0.01 0.01 -0.04 3.22 3.21 1h0cA1 ARG 289 HD3 0.02 0.02 0.00 -0.04 3.22 3.22 1h0cA1 GLN 290 H 0.08 0.79 0.03 -0.55 8.47 8.82 1h0cA1 GLN 290 HA -0.01 -0.05 0.40 -0.75 4.36 3.94 1h0cA1 GLN 290 HB2 -0.02 -0.05 0.08 -0.04 2.15 2.12 1h0cA1 GLN 290 HB3 -0.03 0.14 0.19 -0.04 2.02 2.29 1h0cA1 GLN 290 HG2 -0.22 0.06 -0.18 -0.04 2.40 2.02 1h0cA1 GLN 290 HG3 -0.08 -0.11 0.05 -0.04 2.39 2.20 1h0cA1 GLN 290 HE21 -0.09 -0.07 -0.15 -0.04 6.97 6.63 1h0cA1 GLN 290 HE22 -0.14 0.44 -0.04 -0.04 7.69 7.91 1h0cA1 HIS 291 H 0.21 0.58 -0.05 -0.55 8.41 8.60 1h0cA1 HIS 291 HA 0.03 -0.01 0.37 -0.75 4.63 4.26 1h0cA1 HIS 291 HB2 0.07 0.22 0.24 -0.04 3.26 3.75 1h0cA1 HIS 291 HB3 0.03 -0.08 0.03 -0.04 3.20 3.14 1h0cA1 HIS 291 HD2 0.03 0.26 0.06 -0.04 6.97 7.27 1h0cA1 HIS 291 HE1 0.04 -0.04 0.07 -0.04 7.75 7.78 1h0cA1 ARG 292 H 0.13 0.44 -0.24 -0.55 8.46 8.24 1h0cA1 ARG 292 HA 0.03 0.04 0.48 -0.75 4.34 4.14 1h0cA1 ARG 292 HB2 0.07 0.20 0.23 -0.04 1.90 2.37 1h0cA1 ARG 292 HB3 0.06 0.02 0.20 -0.04 1.80 2.03 1h0cA1 ARG 292 HG2 0.01 -0.06 -0.04 -0.04 1.67 1.54 1h0cA1 ARG 292 HG3 0.02 0.01 0.09 -0.04 1.67 1.75 1h0cA1 ARG 292 HD2 0.02 -0.04 0.02 -0.04 3.22 3.18 1h0cA1 ARG 292 HD3 0.05 0.03 0.03 -0.04 3.22 3.29 1h0cA1 GLU 293 H 0.03 0.64 -0.04 -0.55 8.60 8.68 1h0cA1 GLU 293 HA -0.01 -0.02 0.46 -0.75 4.29 3.97 1h0cA1 GLU 293 HB2 -0.01 0.21 0.19 -0.04 2.09 2.44 1h0cA1 GLU 293 HB3 -0.03 -0.10 0.01 -0.04 1.99 1.83 1h0cA1 GLU 293 HG2 -0.01 -0.07 0.05 -0.04 2.34 2.27 1h0cA1 GLU 293 HG3 0.01 0.02 0.08 -0.04 2.34 2.41 1h0cA1 ALA 294 H -0.01 0.67 -0.12 -0.55 8.40 8.39 1h0cA1 ALA 294 HA 0.05 -0.07 0.35 -0.75 4.34 3.92 1h0cA1 ALA 294 HB3 -0.01 0.04 -0.12 -0.04 1.41 1.28 1h0cA1 ALA 295 H -0.02 0.71 -0.11 -0.55 8.40 8.43 1h0cA1 ALA 295 HA -0.12 -0.01 0.31 -0.75 4.34 3.78 1h0cA1 ALA 295 HB3 -0.08 0.05 0.15 -0.04 1.41 1.49 1h0cA1 ALA 296 H -0.12 0.54 -0.29 -0.55 8.40 7.98 1h0cA1 ALA 296 HA -0.25 0.00 0.48 -0.75 4.34 3.81 1h0cA1 ALA 296 HB3 -0.02 0.02 0.11 -0.04 1.41 1.47 1h0cA1 TYR 297 H 0.08 0.63 -0.02 -0.55 8.29 8.43 1h0cA1 TYR 297 HA -0.02 -0.04 0.44 -0.75 4.56 4.18 1h0cA1 TYR 297 HB2 -0.03 0.04 0.16 -0.04 3.06 3.19 1h0cA1 TYR 297 HB3 -0.04 0.10 0.19 -0.04 2.98 3.19 1h0cA1 TYR 297 HD2 -0.01 -0.01 0.04 -0.04 7.15 7.13 1h0cA1 TYR 297 HE2 -0.01 0.04 0.01 -0.04 6.85 6.85 1h0cA1 LEU 298 H 0.01 0.76 -0.09 -0.55 8.37 8.51 1h0cA1 LEU 298 HA -0.13 -0.03 0.32 -0.75 4.35 3.76 1h0cA1 LEU 298 HB2 0.01 -0.04 0.02 -0.04 1.64 1.58 1h0cA1 LEU 298 HB3 0.01 0.15 0.06 -0.04 1.64 1.83 1h0cA1 LEU 298 HG 0.11 -0.02 -0.32 -0.04 1.64 1.37 1h0cA1 LEU 298 HD13 -0.01 -0.02 -0.02 -0.04 0.93 0.83 1h0cA1 LEU 298 HD23 0.08 0.01 -0.13 -0.04 0.89 0.81 1h0cA1 HIS 299 H -0.05 0.52 -0.30 -0.55 8.41 8.04 1h0cA1 HIS 299 HA -0.01 -0.02 0.39 -0.75 4.63 4.23 1h0cA1 HIS 299 HB2 0.01 0.11 0.19 -0.04 3.26 3.53 1h0cA1 HIS 299 HB3 0.00 -0.10 0.04 -0.04 3.20 3.10 1h0cA1 HIS 299 HD2 0.01 -0.10 -0.00 -0.04 6.97 6.84 1h0cA1 HIS 299 HE1 0.02 0.02 -0.07 -0.04 7.75 7.68 1h0cA1 GLY 300 H 0.06 0.53 -0.11 -0.55 8.43 8.36 1h0cA1 GLY 300 HA2 0.03 -0.02 0.38 -0.51 4.01 3.90 1h0cA1 GLY 300 HA3 0.02 0.03 0.35 -0.51 4.01 3.90 1h0cA1 ARG 301 H -0.14 0.48 -0.02 -0.55 8.46 8.23 1h0cA1 ARG 301 HA -0.08 -0.02 0.33 -0.75 4.34 3.81 1h0cA1 ARG 301 HB2 -0.18 0.10 0.09 -0.04 1.90 1.87 1h0cA1 ARG 301 HB3 -0.15 -0.04 0.01 -0.04 1.80 1.58 1h0cA1 ARG 301 HG2 -0.29 -0.08 0.05 -0.04 1.67 1.30 1h0cA1 ARG 301 HG3 -0.63 0.18 -0.01 -0.04 1.67 1.16 1h0cA1 ARG 301 HD2 -0.62 -0.06 -0.06 -0.04 3.22 2.44 1h0cA1 ARG 301 HD3 -0.36 0.07 -0.10 -0.04 3.22 2.78 1h0cA1 LEU 302 H -0.03 0.57 -0.21 -0.55 8.37 8.15 1h0cA1 LEU 302 HA -0.04 -0.01 0.40 -0.75 4.35 3.94 1h0cA1 LEU 302 HB2 -0.00 0.11 0.10 -0.04 1.64 1.80 1h0cA1 LEU 302 HB3 -0.02 -0.08 -0.09 -0.04 1.64 1.41 1h0cA1 LEU 302 HG -0.01 0.26 0.05 -0.04 1.64 1.90 1h0cA1 LEU 302 HD13 0.01 -0.03 -0.13 -0.04 0.93 0.73 1h0cA1 LEU 302 HD23 -0.03 -0.03 -0.05 -0.04 0.89 0.74 1h0cA1 GLN 303 H -0.00 0.60 -0.02 -0.55 8.47 8.51 1h0cA1 GLN 303 HA -0.01 0.29 0.47 -0.75 4.36 4.36 1h0cA1 GLN 303 HB2 0.00 0.12 0.17 -0.04 2.15 2.41 1h0cA1 GLN 303 HB3 -0.00 -0.08 0.07 -0.04 2.02 1.96 1h0cA1 GLN 303 HG2 -0.01 -0.01 0.11 -0.04 2.40 2.44 1h0cA1 GLN 303 HG3 -0.00 0.11 0.11 -0.04 2.39 2.57 1h0cA1 GLN 303 HE21 -0.01 -0.05 0.03 -0.04 6.97 6.89 1h0cA1 GLN 303 HE22 -0.02 -0.08 0.06 -0.04 7.69 7.61 1h0cA1 ALA 304 H -0.02 0.45 -0.29 -0.55 8.40 8.00 1h0cA1 ALA 304 HA -0.01 -0.01 0.46 -0.75 4.34 4.02 1h0cA1 ALA 304 HB3 -0.02 0.02 0.07 -0.04 1.41 1.44 1h0cA1 LEU 305 H -0.03 0.39 -0.24 -0.55 8.37 7.94 1h0cA1 LEU 305 HA -0.03 0.03 0.52 -0.75 4.35 4.12 1h0cA1 LEU 305 HB2 -0.04 0.11 0.17 -0.04 1.64 1.84 1h0cA1 LEU 305 HB3 -0.05 -0.06 0.10 -0.04 1.64 1.59 1h0cA1 LEU 305 HG -0.05 0.16 0.01 -0.04 1.64 1.72 1h0cA1 LEU 305 HD13 -0.06 -0.02 -0.00 -0.04 0.93 0.81 1h0cA1 LEU 305 HD23 -0.05 -0.02 -0.01 -0.04 0.89 0.77 1h0cA1 GLY 306 H -0.02 0.36 -0.51 -0.55 8.43 7.72 1h0cA1 GLY 306 HA2 -0.01 0.01 0.28 -0.51 4.01 3.78 1h0cA1 GLY 306 HA3 -0.01 0.12 0.77 -0.51 4.01 4.38 1h0cA1 LEU 307 H -0.03 0.17 -0.17 -0.55 8.37 7.81 1h0cA1 LEU 307 HA -0.01 0.05 0.47 -0.75 4.35 4.10 1h0cA1 LEU 307 HB2 -0.03 -0.05 -0.12 -0.04 1.64 1.40 1h0cA1 LEU 307 HB3 -0.03 0.03 0.03 -0.04 1.64 1.64 1h0cA1 LEU 307 HG -0.05 0.03 -0.09 -0.04 1.64 1.49 1h0cA1 LEU 307 HD13 -0.06 -0.02 -0.05 -0.04 0.93 0.76 1h0cA1 LEU 307 HD23 -0.08 0.02 -0.08 -0.04 0.89 0.70 1h0cA1 GLN 308 H 0.00 0.19 0.18 -0.55 8.47 8.30 1h0cA1 GLN 308 HA -0.01 0.23 1.01 -0.75 4.36 4.83 1h0cA1 GLN 308 HB2 -0.01 -0.00 0.03 -0.04 2.15 2.13 1h0cA1 GLN 308 HB3 -0.00 0.08 -0.05 -0.04 2.02 2.00 1h0cA1 GLN 308 HG2 0.02 0.00 0.06 -0.04 2.40 2.43 1h0cA1 GLN 308 HG3 0.02 -0.03 -0.29 -0.04 2.39 2.05 1h0cA1 GLN 308 HE21 -0.01 -0.03 -0.04 -0.04 6.97 6.85 1h0cA1 GLN 308 HE22 -0.01 0.05 -0.14 -0.04 7.69 7.55 1h0cA1 LEU 309 H -0.03 0.15 0.09 -0.55 8.37 8.04 1h0cA1 LEU 309 HA -0.01 0.06 0.62 -0.75 4.35 4.27 1h0cA1 LEU 309 HB2 -0.07 -0.01 0.06 -0.04 1.64 1.58 1h0cA1 LEU 309 HB3 -0.10 0.03 -0.01 -0.04 1.64 1.51 1h0cA1 LEU 309 HG -0.06 -0.00 0.01 -0.04 1.64 1.55 1h0cA1 LEU 309 HD13 -0.25 -0.00 0.01 -0.04 0.93 0.65 1h0cA1 LEU 309 HD23 -0.10 0.00 -0.15 -0.04 0.89 0.61 1h0cA1 PHE 310 H 0.14 0.53 0.38 -0.55 8.34 8.84 1h0cA1 PHE 310 HA -0.04 0.01 0.28 -0.75 4.62 4.11 1h0cA1 PHE 310 HB2 -0.05 -0.02 -0.23 -0.04 3.15 2.80 1h0cA1 PHE 310 HB3 -0.05 0.02 0.10 -0.04 3.06 3.09 1h0cA1 PHE 310 HD2 -0.04 0.07 -0.06 -0.04 7.28 7.21 1h0cA1 PHE 310 HE2 -0.04 -0.09 -0.17 -0.04 7.38 7.04 1h0cA1 PHE 310 HZ -0.04 0.08 -0.07 -0.04 7.32 7.24 1h0cA1 VAL 311 H 0.06 0.11 -0.18 -0.55 8.24 7.68 1h0cA1 VAL 311 HA -0.17 0.11 0.63 -0.75 4.13 3.95 1h0cA1 VAL 311 HB -0.02 -0.05 0.07 -0.04 2.12 2.07 1h0cA1 VAL 311 HG13 -0.03 0.02 -0.35 -0.04 0.97 0.57 1h0cA1 VAL 311 HG23 0.12 0.02 -0.11 -0.04 0.95 0.93 1h0cA1 LYS 312 H -0.15 0.25 0.12 -0.55 8.42 8.08 1h0cA1 LYS 312 HA -0.06 0.05 0.59 -0.75 4.32 4.14 1h0cA1 LYS 312 HB2 -0.09 -0.02 0.22 -0.04 1.87 1.94 1h0cA1 LYS 312 HB3 -0.06 -0.05 0.07 -0.04 1.79 1.71 1h0cA1 LYS 312 HG2 -0.06 -0.03 -0.01 -0.04 1.46 1.32 1h0cA1 LYS 312 HG3 -0.12 0.20 -0.07 -0.04 1.46 1.43 1h0cA1 LYS 312 HD2 -0.07 -0.07 0.03 -0.04 1.69 1.55 1h0cA1 LYS 312 HD3 -0.08 0.01 0.01 -0.04 1.68 1.58 1h0cA1 LYS 312 HE2 -0.19 0.12 0.08 -0.04 2.99 2.96 1h0cA1 LYS 312 HE3 -0.15 -0.04 0.12 -0.04 2.99 2.89 1h0cA1 ASP 313 H -0.04 0.22 0.05 -0.55 8.40 8.08 1h0cA1 ASP 313 HA -0.02 0.02 0.36 -0.75 4.63 4.23 1h0cA1 ASP 313 HB2 -0.02 0.20 0.47 -0.04 2.71 3.32 1h0cA1 ASP 313 HB3 -0.02 0.00 0.10 -0.04 2.70 2.74 1h0cA1 PRO 314 HA 0.03 0.14 0.44 -0.51 4.44 4.53 1h0cA1 PRO 314 HB2 0.02 -0.01 0.07 -0.04 2.28 2.33 1h0cA1 PRO 314 HB3 0.07 0.09 0.10 -0.04 2.02 2.23 1h0cA1 PRO 314 HG2 0.02 0.06 0.10 -0.04 2.03 2.17 1h0cA1 PRO 314 HG3 0.03 0.09 0.11 -0.04 2.03 2.22 1h0cA1 PRO 314 HD2 0.00 0.10 0.21 -0.04 3.68 3.95 1h0cA1 PRO 314 HD3 -0.01 0.10 0.25 -0.04 3.65 3.94 1h0cA1 ALA 315 H -0.00 0.07 -0.24 -0.55 8.40 7.68 1h0cA1 ALA 315 HA -0.01 0.10 0.43 -0.75 4.34 4.10 1h0cA1 ALA 315 HB3 -0.02 -0.01 0.05 -0.04 1.41 1.39 1h0cA1 LEU 316 H -0.02 0.39 -0.33 -0.55 8.37 7.86 1h0cA1 LEU 316 HA -0.07 0.25 0.88 -0.75 4.35 4.66 1h0cA1 LEU 316 HB2 -0.03 0.15 0.04 -0.04 1.64 1.76 1h0cA1 LEU 316 HB3 -0.03 -0.06 0.14 -0.04 1.64 1.65 1h0cA1 LEU 316 HG -0.09 -0.12 -0.14 -0.04 1.64 1.25 1h0cA1 LEU 316 HD13 0.07 -0.00 -0.00 -0.04 0.93 0.95 1h0cA1 LEU 316 HD23 -0.36 0.01 0.05 -0.04 0.89 0.55 1h0cA1 ARG 317 H 0.00 0.41 -0.33 -0.55 8.46 7.99 1h0cA1 ARG 317 HA 0.01 0.23 0.81 -0.75 4.34 4.64 1h0cA1 ARG 317 HB2 0.08 0.09 0.16 -0.04 1.90 2.19 1h0cA1 ARG 317 HB3 0.07 0.04 -0.10 -0.04 1.80 1.77 1h0cA1 ARG 317 HG2 -0.06 -0.02 -0.01 -0.04 1.67 1.54 1h0cA1 ARG 317 HG3 -0.03 0.03 -0.17 -0.04 1.67 1.46 1h0cA1 ARG 317 HD2 -0.02 -0.07 0.02 -0.04 3.22 3.11 1h0cA1 ARG 317 HD3 -0.42 -0.01 -0.02 -0.04 3.22 2.73 1h0cA1 LEU 318 H 0.01 0.86 0.26 -0.55 8.37 8.95 1h0cA1 LEU 318 HA -0.04 0.03 0.31 -0.75 4.35 3.89 1h0cA1 LEU 318 HB2 -0.02 -0.04 -0.47 -0.04 1.64 1.07 1h0cA1 LEU 318 HB3 0.01 0.21 -0.01 -0.04 1.64 1.81 1h0cA1 LEU 318 HG -0.03 -0.21 -0.29 -0.04 1.64 1.07 1h0cA1 LEU 318 HD13 -0.14 0.05 -0.10 -0.04 0.93 0.69 1h0cA1 LEU 318 HD23 -0.04 -0.04 -0.38 -0.04 0.89 0.38 1h0cA1 PRO 319 HA 0.07 0.07 0.38 -0.51 4.44 4.45 1h0cA1 PRO 319 HB2 0.02 -0.04 0.07 -0.04 2.28 2.29 1h0cA1 PRO 319 HB3 0.06 0.07 -0.09 -0.04 2.02 2.03 1h0cA1 PRO 319 HG2 -0.03 0.06 0.12 -0.04 2.03 2.14 1h0cA1 PRO 319 HG3 0.01 0.06 0.12 -0.04 2.03 2.18 1h0cA1 PRO 319 HD2 -0.08 -0.07 0.15 -0.04 3.68 3.65 1h0cA1 PRO 319 HD3 -0.02 0.41 0.31 -0.04 3.65 4.30 1h0cA1 THR 320 H -0.02 0.05 -0.17 -0.55 8.28 7.60 1h0cA1 THR 320 HA 0.10 0.25 0.44 -0.75 4.39 4.42 1h0cA1 THR 320 HB -0.00 -0.09 0.02 -0.04 4.32 4.21 1h0cA1 THR 320 HG23 -0.09 0.03 0.09 -0.04 1.22 1.20 1h0cA1 VAL 321 H 0.03 0.24 -0.52 -0.55 8.24 7.44 1h0cA1 VAL 321 HA 0.04 0.25 0.87 -0.75 4.13 4.53 1h0cA1 VAL 321 HB 0.03 -0.15 -0.06 -0.04 2.12 1.89 1h0cA1 VAL 321 HG13 0.03 0.03 -0.26 -0.04 0.97 0.74 1h0cA1 VAL 321 HG23 0.03 -0.04 -0.30 -0.04 0.95 0.60 1h0cA1 THR 322 H 0.05 0.76 0.23 -0.55 8.28 8.77 1h0cA1 THR 322 HA 0.04 0.17 0.87 -0.75 4.39 4.72 1h0cA1 THR 322 HB 0.06 -0.03 0.09 -0.04 4.32 4.40 1h0cA1 THR 322 HG23 -0.04 -0.02 -0.22 -0.04 1.22 0.91 1h0cA1 THR 323 H 0.01 0.19 0.14 -0.55 8.28 8.08 1h0cA1 THR 323 HA -0.06 0.33 1.01 -0.75 4.39 4.92 1h0cA1 THR 323 HB -0.13 -0.01 -0.06 -0.04 4.32 4.07 1h0cA1 THR 323 HG23 -0.12 -0.03 -0.46 -0.04 1.22 0.56 1h0cA1 VAL 324 H -0.04 0.54 0.24 -0.55 8.24 8.43 1h0cA1 VAL 324 HA 0.01 0.04 0.73 -0.75 4.13 4.16 1h0cA1 VAL 324 HB -0.03 -0.05 -0.00 -0.04 2.12 2.00 1h0cA1 VAL 324 HG13 -0.02 0.07 -0.11 -0.04 0.97 0.87 1h0cA1 VAL 324 HG23 -0.02 0.01 -0.16 -0.04 0.95 0.74 1h0cA1 ALA 325 H 0.04 0.67 0.32 -0.55 8.40 8.88 1h0cA1 ALA 325 HA 0.03 0.14 0.76 -0.75 4.34 4.52 1h0cA1 ALA 325 HB3 0.10 -0.01 0.07 -0.04 1.41 1.53 1h0cA1 VAL 326 H -0.01 0.52 0.27 -0.55 8.24 8.46 1h0cA1 VAL 326 HA 0.01 0.02 0.33 -0.75 4.13 3.73 1h0cA1 VAL 326 HB 0.05 0.06 0.07 -0.04 2.12 2.26 1h0cA1 VAL 326 HG13 0.17 0.01 -0.16 -0.04 0.97 0.94 1h0cA1 VAL 326 HG23 -0.05 -0.01 -0.38 -0.04 0.95 0.46 1h0cA1 PRO 327 HA 0.07 0.02 0.46 -0.51 4.44 4.48 1h0cA1 PRO 327 HB2 0.02 0.01 -0.08 -0.04 2.28 2.19 1h0cA1 PRO 327 HB3 0.00 0.05 0.04 -0.04 2.02 2.07 1h0cA1 PRO 327 HG2 -0.37 0.03 0.02 -0.04 2.03 1.67 1h0cA1 PRO 327 HG3 -0.10 0.06 0.07 -0.04 2.03 2.02 1h0cA1 PRO 327 HD2 -0.03 0.03 0.08 -0.04 3.68 3.72 1h0cA1 PRO 327 HD3 -0.03 0.09 0.20 -0.04 3.65 3.87 1h0cA1 ALA 328 H 0.11 0.10 0.14 -0.55 8.40 8.21 1h0cA1 ALA 328 HA 0.08 0.04 0.38 -0.75 4.34 4.08 1h0cA1 ALA 328 HB3 0.07 0.02 0.11 -0.04 1.41 1.57 1h0cA1 GLY 329 H -0.01 0.15 -0.00 -0.55 8.43 8.02 1h0cA1 GLY 329 HA2 -0.00 0.16 0.86 -0.51 4.01 4.52 1h0cA1 GLY 329 HA3 -0.09 0.12 0.42 -0.51 4.01 3.95 1h0cA1 TYR 330 H 0.19 0.57 -0.34 -0.55 8.29 8.15 1h0cA1 TYR 330 HA 0.02 0.28 0.97 -0.75 4.56 5.08 1h0cA1 TYR 330 HB2 0.05 0.28 -0.05 -0.04 3.06 3.30 1h0cA1 TYR 330 HB3 0.06 -0.12 -0.19 -0.04 2.98 2.69 1h0cA1 TYR 330 HD2 0.01 -0.09 -0.28 -0.04 7.15 6.76 1h0cA1 TYR 330 HE2 -0.02 0.03 -0.07 -0.04 6.85 6.75 1h0cA1 ASP 331 H 0.15 0.28 0.08 -0.55 8.40 8.37 1h0cA1 ASP 331 HA 0.09 0.17 0.76 -0.75 4.63 4.89 1h0cA1 ASP 331 HB2 0.00 0.10 0.04 -0.04 2.71 2.82 1h0cA1 ASP 331 HB3 -0.00 -0.03 0.19 -0.04 2.70 2.82 1h0cA1 TRP 332 H 0.38 0.30 0.07 -0.55 7.97 8.17 1h0cA1 TRP 332 HA 0.03 0.11 0.26 -0.75 4.62 4.27 1h0cA1 TRP 332 HB2 0.00 0.04 0.01 -0.04 3.23 3.25 1h0cA1 TRP 332 HB3 0.01 0.16 0.07 -0.04 3.23 3.43 1h0cA1 TRP 332 HD1 0.01 0.17 0.16 -0.04 7.22 7.52 1h0cA1 TRP 332 HE1 0.00 0.04 0.09 -0.04 10.20 10.29 1h0cA1 TRP 332 HE3 0.01 0.03 -0.29 -0.04 7.59 7.30 1h0cA1 TRP 332 HZ2 -0.00 0.02 0.04 -0.04 7.44 7.45 1h0cA1 TRP 332 HZ3 0.01 0.04 -0.04 -0.04 7.13 7.10 1h0cA1 TRP 332 HH2 0.00 0.03 0.03 -0.04 7.19 7.21 1h0cA1 ARG 333 H -1.16 0.10 -0.22 -0.55 8.46 6.63 1h0cA1 ARG 333 HA -0.85 0.03 0.34 -0.75 4.34 3.11 1h0cA1 ARG 333 HB2 -0.50 0.00 0.02 -0.04 1.90 1.39 1h0cA1 ARG 333 HB3 -0.44 0.05 -0.02 -0.04 1.80 1.34 1h0cA1 ARG 333 HG2 -0.93 0.02 0.04 -0.04 1.67 0.77 1h0cA1 ARG 333 HG3 -2.34 -0.06 0.06 -0.04 1.67 -0.71 1h0cA1 ARG 333 HD2 -0.49 -0.00 0.02 -0.04 3.22 2.72 1h0cA1 ARG 333 HD3 -0.34 0.04 0.00 -0.04 3.22 2.88 1h0cA1 ASP 334 H -0.10 0.34 -0.24 -0.55 8.40 7.85 1h0cA1 ASP 334 HA 0.02 0.02 0.43 -0.75 4.63 4.34 1h0cA1 ASP 334 HB2 0.07 0.16 0.17 -0.04 2.71 3.07 1h0cA1 ASP 334 HB3 0.11 0.05 0.03 -0.04 2.70 2.84 1h0cA1 ILE 335 H 0.09 0.30 -0.13 -0.55 8.25 7.96 1h0cA1 ILE 335 HA 0.13 0.04 0.34 -0.75 4.18 3.95 1h0cA1 ILE 335 HB 0.15 0.05 0.13 -0.04 1.89 2.18 1h0cA1 ILE 335 HG12 0.00 0.03 -0.04 -0.04 1.49 1.44 1h0cA1 ILE 335 HG13 0.11 0.04 0.02 -0.04 1.21 1.33 1h0cA1 ILE 335 HG23 0.02 -0.00 -0.07 -0.04 0.93 0.83 1h0cA1 ILE 335 HD13 -0.13 0.00 -0.07 -0.04 0.88 0.64 1h0cA1 VAL 336 H 0.18 0.48 -0.05 -0.55 8.24 8.30 1h0cA1 VAL 336 HA 0.16 0.04 0.36 -0.75 4.13 3.94 1h0cA1 VAL 336 HB 0.14 0.01 0.09 -0.04 2.12 2.32 1h0cA1 VAL 336 HG13 0.17 0.01 0.00 -0.04 0.97 1.12 1h0cA1 VAL 336 HG23 0.50 0.01 -0.13 -0.04 0.95 1.29 1h0cA1 SER 337 H 0.05 0.63 -0.12 -0.55 8.46 8.48 1h0cA1 SER 337 HA 0.03 -0.02 0.44 -0.75 4.49 4.17 1h0cA1 SER 337 HB2 0.05 0.10 0.17 -0.04 3.95 4.23 1h0cA1 SER 337 HB3 -0.00 -0.07 0.05 -0.04 3.93 3.87 1h0cA1 TYR 338 H 0.24 0.85 -0.03 -0.55 8.29 8.80 1h0cA1 TYR 338 HA 0.19 -0.04 0.40 -0.75 4.56 4.36 1h0cA1 TYR 338 HB2 0.16 0.10 0.13 -0.04 3.06 3.42 1h0cA1 TYR 338 HB3 0.18 0.09 0.15 -0.04 2.98 3.37 1h0cA1 TYR 338 HD2 0.31 0.02 -0.12 -0.04 7.15 7.31 1h0cA1 TYR 338 HE2 0.18 0.00 -0.10 -0.04 6.85 6.90 1h0cA1 VAL 339 H 0.26 0.56 -0.17 -0.55 8.24 8.35 1h0cA1 VAL 339 HA 0.48 0.00 0.45 -0.75 4.13 4.31 1h0cA1 VAL 339 HB 0.15 0.13 0.17 -0.04 2.12 2.52 1h0cA1 VAL 339 HG13 0.10 0.04 -0.15 -0.04 0.97 0.92 1h0cA1 VAL 339 HG23 0.15 0.04 -0.07 -0.04 0.95 1.03 1h0cA1 ILE 340 H 0.09 0.53 0.06 -0.55 8.25 8.39 1h0cA1 ILE 340 HA 0.06 -0.06 0.47 -0.75 4.18 3.89 1h0cA1 ILE 340 HB 0.06 0.06 0.10 -0.04 1.89 2.06 1h0cA1 ILE 340 HG12 0.02 -0.05 -0.08 -0.04 1.49 1.34 1h0cA1 ILE 340 HG13 -0.00 0.01 -0.13 -0.04 1.21 1.05 1h0cA1 ILE 340 HG23 0.01 0.02 0.05 -0.04 0.93 0.97 1h0cA1 ILE 340 HD13 0.03 -0.05 -0.28 -0.04 0.88 0.54 1h0cA1 ASP 341 H -0.08 0.75 -0.11 -0.55 8.40 8.42 1h0cA1 ASP 341 HA -0.18 0.03 0.55 -0.75 4.63 4.28 1h0cA1 ASP 341 HB2 -0.42 0.12 0.15 -0.04 2.71 2.52 1h0cA1 ASP 341 HB3 -0.60 -0.06 -0.02 -0.04 2.70 1.97 1h0cA1 HIS 342 H -0.32 0.72 0.08 -0.55 8.41 8.35 1h0cA1 HIS 342 HA -0.36 0.15 0.83 -0.75 4.63 4.50 1h0cA1 HIS 342 HB2 -0.82 0.14 0.13 -0.04 3.26 2.67 1h0cA1 HIS 342 HB3 -0.82 -0.06 0.10 -0.04 3.20 2.38 1h0cA1 HIS 342 HD2 -0.30 -0.01 -0.00 -0.04 6.97 6.62 1h0cA1 HIS 342 HE1 -0.16 -0.02 -0.02 -0.04 7.75 7.51 1h0cA1 PHE 343 H 0.09 0.38 -0.03 -0.55 8.34 8.23 1h0cA1 PHE 343 HA 0.02 0.20 0.94 -0.75 4.62 5.03 1h0cA1 PHE 343 HB2 0.05 0.06 0.08 -0.04 3.15 3.30 1h0cA1 PHE 343 HB3 0.04 -0.07 0.12 -0.04 3.06 3.12 1h0cA1 PHE 343 HD2 0.08 0.02 0.03 -0.04 7.28 7.37 1h0cA1 PHE 343 HE2 0.27 -0.01 -0.05 -0.04 7.38 7.54 1h0cA1 PHE 343 HZ 0.22 -0.02 0.02 -0.04 7.32 7.50 1h0cA1 ASP 344 H 0.03 0.22 -0.13 -0.55 8.40 7.98 1h0cA1 ASP 344 HA 0.02 0.19 0.40 -0.75 4.63 4.50 1h0cA1 ASP 344 HB2 0.05 0.20 -0.05 -0.04 2.71 2.87 1h0cA1 ASP 344 HB3 0.03 -0.01 0.35 -0.04 2.70 3.03 1h0cA1 ILE 345 H 0.13 0.36 -0.21 -0.55 8.25 7.98 1h0cA1 ILE 345 HA 0.07 0.20 1.23 -0.75 4.18 4.92 1h0cA1 ILE 345 HB 0.10 -0.03 -0.08 -0.04 1.89 1.83 1h0cA1 ILE 345 HG12 0.07 -0.04 -0.06 -0.04 1.49 1.41 1h0cA1 ILE 345 HG13 0.13 0.25 -0.36 -0.04 1.21 1.18 1h0cA1 ILE 345 HG23 0.04 -0.00 -0.22 -0.04 0.93 0.71 1h0cA1 ILE 345 HD13 0.02 -0.03 -0.14 -0.04 0.88 0.70 1h0cA1 GLU 346 H 0.05 0.57 0.25 -0.55 8.60 8.93 1h0cA1 GLU 346 HA 0.07 0.23 1.05 -0.75 4.29 4.88 1h0cA1 GLU 346 HB2 0.05 0.02 -0.05 -0.04 2.09 2.07 1h0cA1 GLU 346 HB3 0.05 -0.12 0.11 -0.04 1.99 1.99 1h0cA1 GLU 346 HG2 0.06 -0.01 -0.37 -0.04 2.34 1.98 1h0cA1 GLU 346 HG3 0.07 0.06 0.01 -0.04 2.34 2.43 1h0cA1 ILE 347 H 0.08 0.42 0.29 -0.55 8.25 8.49 1h0cA1 ILE 347 HA 0.05 0.14 0.52 -0.75 4.18 4.13 1h0cA1 ILE 347 HB 0.04 0.10 0.15 -0.04 1.89 2.14 1h0cA1 ILE 347 HG12 0.08 0.01 -0.07 -0.04 1.49 1.47 1h0cA1 ILE 347 HG13 0.10 -0.05 -0.12 -0.04 1.21 1.10 1h0cA1 ILE 347 HG23 0.04 0.05 -0.14 -0.04 0.93 0.83 1h0cA1 ILE 347 HD13 0.07 0.00 -0.11 -0.04 0.88 0.80 1h0cA1 MET 348 H 0.03 0.49 0.34 -0.55 8.47 8.79 1h0cA1 MET 348 HA 0.12 0.20 1.08 -0.75 4.52 5.15 1h0cA1 MET 348 HB2 0.01 0.02 0.17 -0.04 2.15 2.30 1h0cA1 MET 348 HB3 -0.02 0.06 0.23 -0.04 2.03 2.26 1h0cA1 MET 348 HG2 0.05 -0.01 0.01 -0.04 2.63 2.65 1h0cA1 MET 348 HG3 0.08 0.00 0.04 -0.04 2.56 2.65 1h0cA1 MET 348 HE3 0.06 -0.02 -0.06 -0.04 2.10 2.04 1h0cA1 GLY 349 H -0.11 0.11 0.16 -0.55 8.43 8.05 1h0cA1 GLY 349 HA2 -0.43 0.30 1.06 -0.51 4.01 4.42 1h0cA1 GLY 349 HA3 -1.27 -0.11 0.47 -0.51 4.01 2.60 1h0cA1 GLY 350 H -0.81 -0.09 0.22 -0.55 8.43 7.20 1h0cA1 GLY 350 HA2 -0.30 0.20 0.20 -0.51 4.01 3.61 1h0cA1 GLY 350 HA3 -0.35 0.05 -0.15 -0.51 4.01 3.05 1h0cA1 LEU 351 H -0.19 0.14 -0.17 -0.55 8.37 7.59 1h0cA1 LEU 351 HA -0.11 0.09 0.53 -0.75 4.35 4.10 1h0cA1 LEU 351 HB2 -0.09 0.24 -0.33 -0.04 1.64 1.42 1h0cA1 LEU 351 HB3 -0.15 -0.13 0.07 -0.04 1.64 1.39 1h0cA1 LEU 351 HG -0.02 0.11 -0.01 -0.04 1.64 1.67 1h0cA1 LEU 351 HD13 -0.14 -0.04 -0.09 -0.04 0.93 0.62 1h0cA1 LEU 351 HD23 -0.13 -0.01 -0.04 -0.04 0.89 0.68 1h0cA1 GLY 352 H -0.11 0.21 0.11 -0.55 8.43 8.09 1h0cA1 GLY 352 HA2 -0.11 0.11 0.36 -0.51 4.01 3.85 1h0cA1 GLY 352 HA3 -0.18 0.03 0.58 -0.51 4.01 3.92 1h0cA1 PRO 353 HA -0.06 0.13 0.41 -0.51 4.44 4.41 1h0cA1 PRO 353 HB2 -0.06 0.01 0.03 -0.04 2.28 2.22 1h0cA1 PRO 353 HB3 -0.03 0.12 0.09 -0.04 2.02 2.16 1h0cA1 PRO 353 HG2 -0.07 -0.03 -0.15 -0.04 2.03 1.75 1h0cA1 PRO 353 HG3 -0.06 0.10 0.01 -0.04 2.03 2.05 1h0cA1 PRO 353 HD2 -0.16 0.02 0.26 -0.04 3.68 3.76 1h0cA1 PRO 353 HD3 -0.14 0.06 0.22 -0.04 3.65 3.74 1h0cA1 SER 354 H -0.15 0.22 -0.36 -0.55 8.46 7.62 1h0cA1 SER 354 HA -0.19 0.29 0.72 -0.75 4.49 4.56 1h0cA1 SER 354 HB2 -0.41 0.04 0.15 -0.04 3.95 3.69 1h0cA1 SER 354 HB3 -0.22 -0.00 0.11 -0.04 3.93 3.78 1h0cA1 THR 355 H -0.14 0.50 -0.48 -0.55 8.28 7.61 1h0cA1 THR 355 HA -0.25 -0.19 0.25 -0.75 4.39 3.44 1h0cA1 THR 355 HB -0.07 0.11 0.06 -0.04 4.32 4.39 1h0cA1 THR 355 HG23 -0.00 0.00 -0.15 -0.04 1.22 1.03 1h0cA1 GLY 356 H -0.60 -0.04 0.27 -0.55 8.43 7.52 1h0cA1 GLY 356 HA2 -0.85 -0.04 0.45 -0.51 4.01 3.05 1h0cA1 GLY 356 HA3 -0.03 0.09 0.41 -0.51 4.01 3.97 1h0cA1 LYS 357 H -0.27 0.41 -0.55 -0.55 8.42 7.45 1h0cA1 LYS 357 HA -0.07 0.16 0.78 -0.75 4.32 4.42 1h0cA1 LYS 357 HB2 -0.26 0.05 0.09 -0.04 1.87 1.72 1h0cA1 LYS 357 HB3 -0.09 -0.03 0.10 -0.04 1.79 1.73 1h0cA1 LYS 357 HG2 -0.03 -0.02 -0.00 -0.04 1.46 1.37 1h0cA1 LYS 357 HG3 -0.09 0.16 -0.12 -0.04 1.46 1.37 1h0cA1 LYS 357 HD2 -0.06 -0.01 0.10 -0.04 1.69 1.67 1h0cA1 LYS 357 HD3 0.05 -0.03 0.05 -0.04 1.68 1.72 1h0cA1 LYS 357 HE2 0.02 -0.05 0.04 -0.04 2.99 2.96 1h0cA1 LYS 357 HE3 -0.02 0.03 0.06 -0.04 2.99 3.03 1h0cA1 VAL 358 H -0.38 0.02 0.08 -0.55 8.24 7.41 1h0cA1 VAL 358 HA -0.17 0.17 1.05 -0.75 4.13 4.42 1h0cA1 VAL 358 HB -0.26 0.16 0.06 -0.04 2.12 2.03 1h0cA1 VAL 358 HG13 -0.65 -0.03 -0.31 -0.04 0.97 -0.05 1h0cA1 VAL 358 HG23 -0.39 -0.00 -0.25 -0.04 0.95 0.27 1h0cA1 LEU 359 H -0.13 0.67 0.28 -0.55 8.37 8.64 1h0cA1 LEU 359 HA -0.15 0.19 0.94 -0.75 4.35 4.57 1h0cA1 LEU 359 HB2 -0.04 -0.06 0.01 -0.04 1.64 1.51 1h0cA1 LEU 359 HB3 -0.01 0.08 0.02 -0.04 1.64 1.68 1h0cA1 LEU 359 HG -0.02 -0.04 -0.26 -0.04 1.64 1.27 1h0cA1 LEU 359 HD13 0.01 0.01 -0.09 -0.04 0.93 0.81 1h0cA1 LEU 359 HD23 0.11 0.01 -0.02 -0.04 0.89 0.94 1h0cA1 ARG 360 H -0.07 0.47 0.05 -0.55 8.46 8.35 1h0cA1 ARG 360 HA -0.04 0.38 1.08 -0.75 4.34 5.00 1h0cA1 ARG 360 HB2 -0.03 -0.11 0.04 -0.04 1.90 1.75 1h0cA1 ARG 360 HB3 -0.01 0.01 -0.10 -0.04 1.80 1.65 1h0cA1 ARG 360 HG2 -0.10 0.02 -0.34 -0.04 1.67 1.21 1h0cA1 ARG 360 HG3 -0.15 -0.00 -0.54 -0.04 1.67 0.94 1h0cA1 ARG 360 HD2 -0.01 0.16 -0.04 -0.04 3.22 3.29 1h0cA1 ARG 360 HD3 -0.09 -0.07 -0.14 -0.04 3.22 2.87 1h0cA1 ILE 361 H 0.01 0.67 0.27 -0.55 8.25 8.65 1h0cA1 ILE 361 HA 0.02 0.25 1.09 -0.75 4.18 4.79 1h0cA1 ILE 361 HB 0.03 -0.06 0.09 -0.04 1.89 1.91 1h0cA1 ILE 361 HG12 0.01 0.05 -0.10 -0.04 1.49 1.41 1h0cA1 ILE 361 HG13 0.00 -0.06 -0.21 -0.04 1.21 0.90 1h0cA1 ILE 361 HG23 0.02 0.03 -0.11 -0.04 0.93 0.84 1h0cA1 ILE 361 HD13 -0.00 -0.00 -0.08 -0.04 0.88 0.75 1h0cA1 GLY 362 H 0.04 0.64 -0.04 -0.55 8.43 8.52 1h0cA1 GLY 362 HA2 0.05 0.25 0.82 -0.51 4.01 4.62 1h0cA1 GLY 362 HA3 0.05 0.14 -0.14 -0.51 4.01 3.54 1h0cA1 LEU 363 H 0.07 0.69 0.15 -0.55 8.37 8.74 1h0cA1 LEU 363 HA 0.05 0.13 0.64 -0.75 4.35 4.41 1h0cA1 LEU 363 HB2 0.09 0.14 0.13 -0.04 1.64 1.96 1h0cA1 LEU 363 HB3 0.05 -0.11 -0.04 -0.04 1.64 1.50 1h0cA1 LEU 363 HG 0.05 0.02 -0.37 -0.04 1.64 1.31 1h0cA1 LEU 363 HD13 0.03 0.00 -0.22 -0.04 0.93 0.70 1h0cA1 LEU 363 HD23 0.03 0.01 -0.09 -0.04 0.89 0.80 1h0cA1 LEU 364 H 0.06 0.21 -0.16 -0.55 8.37 7.94 1h0cA1 LEU 364 HA 0.26 0.24 1.20 -0.75 4.35 5.30 1h0cA1 LEU 364 HB2 0.07 0.02 -0.14 -0.04 1.64 1.54 1h0cA1 LEU 364 HB3 0.09 -0.07 -0.45 -0.04 1.64 1.16 1h0cA1 LEU 364 HG 0.07 -0.04 -0.58 -0.04 1.64 1.04 1h0cA1 LEU 364 HD13 0.04 -0.02 -0.26 -0.04 0.93 0.65 1h0cA1 LEU 364 HD23 0.04 0.03 -0.16 -0.04 0.89 0.76 1h0cA1 GLY 365 H 0.69 0.18 0.15 -0.55 8.43 8.90 1h0cA1 GLY 365 HA2 0.21 0.09 0.38 -0.51 4.01 4.18 1h0cA1 GLY 365 HA3 0.11 0.20 0.48 -0.51 4.01 4.29 1h0cA1 CYS 366 H 0.04 0.22 0.20 -0.55 8.50 8.41 1h0cA1 CYS 366 HA -0.00 0.05 0.34 -0.75 4.58 4.21 1h0cA1 CYS 366 HB2 0.01 -0.04 0.11 -0.04 2.97 3.01 1h0cA1 CYS 366 HB3 0.02 0.01 0.15 -0.04 2.97 3.11 1h0cA1 ASN 367 H 0.03 0.62 -0.38 -0.55 8.53 8.25 1h0cA1 ASN 367 HA 0.01 0.10 0.69 -0.75 4.76 4.81 1h0cA1 ASN 367 HB2 0.04 0.14 0.12 -0.04 2.88 3.14 1h0cA1 ASN 367 HB3 0.03 0.01 0.12 -0.04 2.79 2.91 1h0cA1 ASN 367 HD21 0.03 -0.19 0.14 -0.04 7.03 6.98 1h0cA1 ASN 367 HD22 0.04 0.47 0.22 -0.04 7.74 8.42 1h0cA1 ALA 368 H -0.05 0.57 -0.59 -0.55 8.40 7.79 1h0cA1 ALA 368 HA -0.02 0.10 0.54 -0.75 4.34 4.20 1h0cA1 ALA 368 HB3 -0.24 0.02 -0.18 -0.04 1.41 0.96 1h0cA1 THR 369 H 0.00 0.47 -0.05 -0.55 8.28 8.16 1h0cA1 THR 369 HA -0.03 0.28 0.89 -0.75 4.39 4.78 1h0cA1 THR 369 HB -0.01 -0.13 0.11 -0.04 4.32 4.26 1h0cA1 THR 369 HG23 -0.02 0.05 -0.29 -0.04 1.22 0.92 1h0cA1 ARG 370 H -0.01 0.21 0.14 -0.55 8.46 8.25 1h0cA1 ARG 370 HA 0.28 0.15 0.47 -0.75 4.34 4.48 1h0cA1 ARG 370 HB2 -0.08 -0.02 0.14 -0.04 1.90 1.90 1h0cA1 ARG 370 HB3 -0.08 0.05 0.01 -0.04 1.80 1.74 1h0cA1 ARG 370 HG2 -0.69 0.04 0.03 -0.04 1.67 1.00 1h0cA1 ARG 370 HG3 -0.13 -0.00 -0.00 -0.04 1.67 1.49 1h0cA1 ARG 370 HD2 -0.21 0.01 0.01 -0.04 3.22 2.98 1h0cA1 ARG 370 HD3 -0.40 -0.00 0.01 -0.04 3.22 2.79 1h0cA1 GLU 371 H 0.03 0.09 -0.09 -0.55 8.60 8.08 1h0cA1 GLU 371 HA 0.06 0.10 0.39 -0.75 4.29 4.09 1h0cA1 GLU 371 HB2 0.02 -0.02 0.09 -0.04 2.09 2.14 1h0cA1 GLU 371 HB3 0.03 0.08 0.00 -0.04 1.99 2.06 1h0cA1 GLU 371 HG2 0.02 0.06 0.03 -0.04 2.34 2.41 1h0cA1 GLU 371 HG3 0.02 0.03 0.04 -0.04 2.34 2.40 1h0cA1 ASN 372 H 0.04 0.12 -0.24 -0.55 8.53 7.90 1h0cA1 ASN 372 HA 0.03 0.04 0.44 -0.75 4.76 4.51 1h0cA1 ASN 372 HB2 0.03 0.15 0.13 -0.04 2.88 3.14 1h0cA1 ASN 372 HB3 0.02 0.04 0.09 -0.04 2.79 2.90 1h0cA1 ASN 372 HD21 0.02 -0.01 0.05 -0.04 7.03 7.05 1h0cA1 ASN 372 HD22 0.02 0.28 0.18 -0.04 7.74 8.18 1h0cA1 VAL 373 H 0.08 0.27 -0.38 -0.55 8.24 7.66 1h0cA1 VAL 373 HA -0.00 0.08 0.45 -0.75 4.13 3.91 1h0cA1 VAL 373 HB 0.16 0.07 0.11 -0.04 2.12 2.42 1h0cA1 VAL 373 HG13 -0.21 -0.02 -0.15 -0.04 0.97 0.55 1h0cA1 VAL 373 HG23 0.10 0.14 0.01 -0.04 0.95 1.16 1h0cA1 ASP 374 H 0.07 0.46 -0.26 -0.55 8.40 8.12 1h0cA1 ASP 374 HA -0.03 0.02 0.45 -0.75 4.63 4.31 1h0cA1 ASP 374 HB2 0.06 0.34 0.30 -0.04 2.71 3.37 1h0cA1 ASP 374 HB3 0.04 -0.05 0.03 -0.04 2.70 2.68 1h0cA1 ARG 375 H 0.01 0.42 0.01 -0.55 8.46 8.35 1h0cA1 ARG 375 HA -0.02 0.03 0.39 -0.75 4.34 3.98 1h0cA1 ARG 375 HB2 0.01 0.04 0.18 -0.04 1.90 2.09 1h0cA1 ARG 375 HB3 0.01 0.04 0.01 -0.04 1.80 1.82 1h0cA1 ARG 375 HG2 0.04 -0.01 0.03 -0.04 1.67 1.69 1h0cA1 ARG 375 HG3 0.03 0.08 0.07 -0.04 1.67 1.81 1h0cA1 ARG 375 HD2 0.03 -0.04 -0.05 -0.04 3.22 3.12 1h0cA1 ARG 375 HD3 0.05 0.05 -0.01 -0.04 3.22 3.27 1h0cA1 VAL 376 H -0.03 0.64 -0.10 -0.55 8.24 8.20 1h0cA1 VAL 376 HA -0.09 0.04 0.35 -0.75 4.13 3.68 1h0cA1 VAL 376 HB -0.01 0.06 0.11 -0.04 2.12 2.24 1h0cA1 VAL 376 HG13 -0.03 0.02 -0.11 -0.04 0.97 0.80 1h0cA1 VAL 376 HG23 -0.02 -0.01 0.03 -0.04 0.95 0.91 1h0cA1 THR 377 H -0.07 0.36 -0.57 -0.55 8.28 7.45 1h0cA1 THR 377 HA -0.08 0.05 0.55 -0.75 4.39 4.15 1h0cA1 THR 377 HB -0.09 0.14 0.24 -0.04 4.32 4.58 1h0cA1 THR 377 HG23 -0.08 -0.02 -0.15 -0.04 1.22 0.93 1h0cA1 GLU 378 H -0.09 0.63 0.07 -0.55 8.60 8.67 1h0cA1 GLU 378 HA -0.07 0.02 0.44 -0.75 4.29 3.93 1h0cA1 GLU 378 HB2 -0.05 0.10 0.11 -0.04 2.09 2.20 1h0cA1 GLU 378 HB3 -0.02 -0.03 0.07 -0.04 1.99 1.98 1h0cA1 GLU 378 HG2 -0.00 -0.02 0.04 -0.04 2.34 2.31 1h0cA1 GLU 378 HG3 -0.03 -0.01 0.01 -0.04 2.34 2.27 1h0cA1 ALA 379 H -0.26 0.25 -0.65 -0.55 8.40 7.20 1h0cA1 ALA 379 HA -1.61 0.07 0.52 -0.75 4.34 2.57 1h0cA1 ALA 379 HB3 -0.46 0.03 0.06 -0.04 1.41 1.00 1h0cA1 LEU 380 H -0.15 0.53 -0.06 -0.55 8.37 8.14 1h0cA1 LEU 380 HA -0.04 -0.02 0.39 -0.75 4.35 3.93 1h0cA1 LEU 380 HB2 -0.08 0.14 0.26 -0.04 1.64 1.92 1h0cA1 LEU 380 HB3 -0.07 -0.04 -0.04 -0.04 1.64 1.45 1h0cA1 LEU 380 HG -0.04 0.08 0.10 -0.04 1.64 1.74 1h0cA1 LEU 380 HD13 -0.04 -0.02 -0.04 -0.04 0.93 0.80 1h0cA1 LEU 380 HD23 -0.02 -0.03 -0.03 -0.04 0.89 0.78 1h0cA1 ARG 381 H -0.09 0.69 -0.07 -0.55 8.46 8.44 1h0cA1 ARG 381 HA -0.07 0.05 0.40 -0.75 4.34 3.97 1h0cA1 ARG 381 HB2 -0.05 0.04 0.09 -0.04 1.90 1.94 1h0cA1 ARG 381 HB3 -0.05 -0.02 0.09 -0.04 1.80 1.78 1h0cA1 ARG 381 HG2 -0.05 -0.01 -0.25 -0.04 1.67 1.33 1h0cA1 ARG 381 HG3 -0.04 0.02 -0.01 -0.04 1.67 1.60 1h0cA1 ARG 381 HD2 -0.00 0.02 -0.02 -0.04 3.22 3.17 1h0cA1 ARG 381 HD3 -0.01 -0.03 -0.06 -0.04 3.22 3.08 1h0cA1 ALA 382 H -0.02 0.34 -0.33 -0.55 8.40 7.85 1h0cA1 ALA 382 HA 0.02 -0.04 0.30 -0.75 4.34 3.86 1h0cA1 ALA 382 HB3 0.44 0.06 0.11 -0.04 1.41 1.98 1h0cA1 ALA 383 H 0.05 0.59 -0.17 -0.55 8.40 8.32 1h0cA1 ALA 383 HA -0.96 -0.06 0.37 -0.75 4.34 2.94 1h0cA1 ALA 383 HB3 0.05 0.01 0.11 -0.04 1.41 1.53 1h0cA1 LEU 384 H -0.12 0.67 -0.07 -0.55 8.37 8.30 1h0cA1 LEU 384 HA -0.14 -0.07 0.31 -0.75 4.35 3.69 1h0cA1 LEU 384 HB2 -0.11 0.16 0.26 -0.04 1.64 1.92 1h0cA1 LEU 384 HB3 -0.06 -0.02 -0.00 -0.04 1.64 1.52 1h0cA1 LEU 384 HG -0.08 -0.02 0.03 -0.04 1.64 1.53 1h0cA1 LEU 384 HD13 -0.57 -0.02 0.01 -0.04 0.93 0.31 1h0cA1 LEU 384 HD23 -0.10 -0.01 -0.04 -0.04 0.89 0.70 1h0cA1 GLN 385 H -0.20 0.41 -0.32 -0.55 8.47 7.81 1h0cA1 GLN 385 HA -0.09 0.13 0.81 -0.75 4.36 4.46 1h0cA1 GLN 385 HB2 -0.26 -0.09 0.07 -0.04 2.15 1.83 1h0cA1 GLN 385 HB3 -0.15 -0.05 0.02 -0.04 2.02 1.79 1h0cA1 GLN 385 HG2 -0.36 0.32 0.15 -0.04 2.40 2.47 1h0cA1 GLN 385 HG3 -1.05 -0.06 -0.05 -0.04 2.39 1.19 1h0cA1 GLN 385 HE21 -0.01 -0.07 -0.06 -0.04 6.97 6.79 1h0cA1 GLN 385 HE22 -0.03 0.00 -0.02 -0.04 7.69 7.59 1h0cA1 HIS 386 H -0.30 0.50 0.08 -0.55 8.41 8.15 1h0cA1 HIS 386 HA -0.05 0.16 1.00 -0.75 4.63 5.00 1h0cA1 HIS 386 HB2 -0.48 0.03 0.05 -0.04 3.26 2.82 1h0cA1 HIS 386 HB3 -0.04 -0.10 0.11 -0.04 3.20 3.12 1h0cA1 HIS 386 HD2 -0.01 0.03 -0.05 -0.04 6.97 6.89 1h0cA1 HIS 386 HE1 0.05 -0.06 -0.02 -0.04 7.75 7.68 1h0cA1 CYS 387 H -0.04 0.59 0.07 -0.55 8.50 8.56 1h0cA1 CYS 387 HA 0.06 0.06 0.74 -0.75 4.58 4.68 1h0cA1 CYS 387 HB2 0.20 0.08 0.00 -0.04 2.97 3.20 1h0cA1 CYS 387 HB3 0.15 -0.08 -0.02 -0.04 2.97 2.98 1h0cA1 PRO 388 HA -0.03 0.03 0.34 -0.51 4.44 4.26 1h0cA1 PRO 388 HB2 -0.01 -0.07 0.04 -0.04 2.28 2.20 1h0cA1 PRO 388 HB3 -0.02 0.00 0.07 -0.04 2.02 2.03 1h0cA1 PRO 388 HG2 0.02 -0.04 0.10 -0.04 2.03 2.07 1h0cA1 PRO 388 HG3 0.02 0.07 0.12 -0.04 2.03 2.19 1h0cA1 PRO 388 HD2 0.06 -0.02 0.21 -0.04 3.68 3.89 1h0cA1 PRO 388 HD3 0.06 0.24 0.30 -0.04 3.65 4.21 1h0cA1 LYS 389 H -0.11 0.11 0.12 -0.55 8.42 7.99 1h0cA1 LYS 389 HA -0.35 0.52 0.83 -0.75 4.32 4.57 1h0cA1 LYS 390 H -0.13 0.32 0.17 -0.55 8.42 8.22 1h0cA1 LYS 390 HA -0.06 -0.07 0.33 -0.75 4.32 3.77