============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TYR 16 0.840 65.644 176.564 -79.515 -99.200 -91.000 PHE 27 1.000 53.338 172.302 -68.168 -99.200 -91.000 HIS 58 0.900 88.930 189.637 -86.665 -99.200 -91.000 TYR 59 0.840 89.164 184.175 -87.626 -99.200 -91.000 TYR 60 0.840 89.367 189.159 -97.507 -99.200 -91.000 HIS 61 0.900 90.833 194.169 -91.200 -99.200 -91.000 HIS 64 0.900 93.009 192.137 -98.981 -99.200 -91.000 PHE 68 1.000 96.447 185.515 -89.937 -99.200 -91.000 HIS 102 0.900 69.042 164.522 -81.997 -99.200 -91.000 PHE 104 1.000 61.072 171.996 -81.056 -99.200 -91.000 HIS 111 0.900 57.950 171.288 -86.619 -99.200 -91.000 TYR 115 0.840 50.482 182.898 -90.524 -99.200 -91.000 PHE 152 1.000 62.804 205.539 -94.785 -99.200 -91.000 TRP 194 1.040 77.872 192.969 -96.721 -99.200 -91.000 TRP6 194 1.020 78.524 191.292 -98.256 -99.200 -91.000 PHE 206 1.000 66.101 212.049 -86.686 -99.200 -91.000 HIS 209 0.900 73.385 206.996 -79.698 -99.200 -91.000 PHE 223 1.000 81.384 199.942 -82.121 -99.200 -91.000 PHE 232 1.000 80.142 200.962 -90.622 -99.200 -91.000 PHE 234 1.000 79.470 204.740 -88.274 -99.200 -91.000 PHE 280 1.000 54.547 188.206 -88.614 -99.200 -91.000 PHE 305 1.000 57.470 186.967 -69.143 -99.200 -91.000 TYR 313 0.840 50.917 181.898 -69.437 -99.200 -91.000 HIS 326 0.900 71.027 187.880 -74.798 -99.200 -91.000 HIS 345 0.900 62.198 189.356 -60.366 -99.200 -91.000 TYR 348 0.840 62.478 192.541 -69.178 -99.200 -91.000 TYR 356 0.840 77.993 188.637 -80.660 -99.200 -91.000 HIS 358 0.900 88.548 191.869 -83.660 -99.200 -91.000 TRP 363 1.040 75.136 198.017 -73.148 -99.200 -91.000 TRP6 363 1.020 75.556 198.033 -75.482 -99.200 -91.000 TYR 378 0.840 78.014 208.048 -62.253 -99.200 -91.000 PHE 383 1.000 93.889 198.064 -67.034 -99.200 -91.000 PHE 385 1.000 90.046 195.137 -73.219 -99.200 -91.000 HIS 416 0.900 78.180 200.700 -69.886 -99.200 -91.000 TYR 435 0.840 75.533 185.306 -56.915 -99.200 -91.000 HIS 447 0.900 89.073 188.521 -62.573 -99.200 -91.000 HIS 449 0.900 99.534 188.147 -66.077 -99.200 -91.000 PHE 456 1.000 84.220 192.741 -65.270 -99.200 -91.000 PHE 465 1.000 93.573 201.656 -53.353 -99.200 -91.000 PHE 471 1.000 95.908 204.079 -68.046 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1zmcH1 PRO 4 HA 0.00 -0.04 0.24 -0.51 4.44 4.13 1zmcH1 PRO 4 HB2 0.00 -0.00 0.13 -0.04 2.28 2.37 1zmcH1 PRO 4 HB3 0.00 -0.04 0.08 -0.04 2.02 2.03 1zmcH1 PRO 4 HG2 0.00 0.00 0.08 -0.04 2.03 2.07 1zmcH1 PRO 4 HG3 0.00 -0.02 0.06 -0.04 2.03 2.03 1zmcH1 PRO 4 HD2 -0.00 -0.01 0.01 -0.04 3.68 3.64 1zmcH1 PRO 4 HD3 0.00 -0.02 0.06 -0.04 3.65 3.66 1zmcH1 ILE 5 H 0.00 0.44 0.27 -0.55 8.25 8.41 1zmcH1 ILE 5 HA 0.00 0.26 1.14 -0.75 4.18 4.83 1zmcH1 ILE 5 HB -0.00 -0.01 0.12 -0.04 1.89 1.96 1zmcH1 ILE 5 HG12 0.00 0.02 -0.10 -0.04 1.49 1.37 1zmcH1 ILE 5 HG13 -0.00 -0.04 -0.57 -0.04 1.21 0.56 1zmcH1 ILE 5 HG23 -0.00 0.01 -0.13 -0.04 0.93 0.77 1zmcH1 ILE 5 HD13 -0.00 -0.00 -0.18 -0.04 0.88 0.65 1zmcH1 ASP 6 H 0.00 0.26 0.22 -0.55 8.40 8.33 1zmcH1 ASP 6 HA -0.00 -0.03 0.86 -0.75 4.63 4.71 1zmcH1 ASP 6 HB2 0.00 0.32 0.22 -0.04 2.71 3.21 1zmcH1 ASP 6 HB3 0.00 -0.06 -0.12 -0.04 2.70 2.48 1zmcH1 ALA 7 H -0.01 0.47 0.22 -0.55 8.40 8.54 1zmcH1 ALA 7 HA 0.00 0.18 0.89 -0.75 4.34 4.66 1zmcH1 ALA 7 HB3 -0.01 0.04 -0.16 -0.04 1.41 1.24 1zmcH1 ASP 8 H 0.01 0.62 0.37 -0.55 8.40 8.85 1zmcH1 ASP 8 HA -0.02 0.08 0.78 -0.75 4.63 4.71 1zmcH1 ASP 8 HB2 0.09 0.02 0.25 -0.04 2.71 3.03 1zmcH1 ASP 8 HB3 -0.03 0.05 0.05 -0.04 2.70 2.73 1zmcH1 VAL 9 H -0.07 0.39 0.23 -0.55 8.24 8.24 1zmcH1 VAL 9 HA -0.16 0.25 0.90 -0.75 4.13 4.36 1zmcH1 VAL 9 HB -0.14 -0.04 -0.00 -0.04 2.12 1.90 1zmcH1 VAL 9 HG13 -0.15 -0.01 -0.27 -0.04 0.97 0.50 1zmcH1 VAL 9 HG23 -0.71 0.01 -0.21 -0.04 0.95 -0.01 1zmcH1 THR 10 H -0.06 0.62 0.16 -0.55 8.28 8.45 1zmcH1 THR 10 HA -0.04 0.25 1.04 -0.75 4.39 4.90 1zmcH1 THR 10 HB -0.02 0.12 0.09 -0.04 4.32 4.47 1zmcH1 THR 10 HG23 -0.00 -0.03 -0.26 -0.04 1.22 0.88 1zmcH1 VAL 11 H -0.04 0.89 0.38 -0.55 8.24 8.93 1zmcH1 VAL 11 HA -0.01 0.26 1.02 -0.75 4.13 4.64 1zmcH1 VAL 11 HB -0.02 -0.04 0.12 -0.04 2.12 2.13 1zmcH1 VAL 11 HG13 0.01 0.02 -0.16 -0.04 0.97 0.79 1zmcH1 VAL 11 HG23 -0.05 0.00 -0.20 -0.04 0.95 0.65 1zmcH1 ILE 12 H 0.01 0.66 0.31 -0.55 8.25 8.68 1zmcH1 ILE 12 HA 0.02 0.12 0.89 -0.75 4.18 4.46 1zmcH1 ILE 12 HB 0.02 -0.12 0.28 -0.04 1.89 2.03 1zmcH1 ILE 12 HG12 0.02 -0.00 -0.15 -0.04 1.49 1.31 1zmcH1 ILE 12 HG13 0.01 0.02 -0.25 -0.04 1.21 0.95 1zmcH1 ILE 12 HG23 -0.00 0.00 -0.06 -0.04 0.93 0.83 1zmcH1 ILE 12 HD13 0.02 0.01 -0.11 -0.04 0.88 0.76 1zmcH1 GLY 13 H 0.04 0.60 0.13 -0.55 8.43 8.65 1zmcH1 GLY 13 HA2 0.01 -0.09 0.45 -0.51 4.01 3.88 1zmcH1 GLY 13 HA3 0.02 0.34 0.84 -0.51 4.01 4.70 1zmcH1 SER 14 H 0.03 0.12 0.15 -0.55 8.46 8.21 1zmcH1 SER 14 HA 0.18 0.28 0.76 -0.75 4.49 4.96 1zmcH1 SER 14 HB2 -0.02 0.05 0.20 -0.04 3.95 4.14 1zmcH1 SER 14 HB3 0.06 0.21 -0.06 -0.04 3.93 4.10 1zmcH1 GLY 15 H 0.05 0.21 -0.23 -0.55 8.43 7.92 1zmcH1 GLY 15 HA2 0.06 0.16 0.19 -0.51 4.01 3.90 1zmcH1 GLY 15 HA3 0.03 0.02 0.32 -0.51 4.01 3.87 1zmcH1 PRO 16 HA 0.02 0.16 0.29 -0.51 4.44 4.41 1zmcH1 PRO 16 HB2 -0.02 -0.02 0.12 -0.04 2.28 2.32 1zmcH1 PRO 16 HB3 0.01 0.13 0.06 -0.04 2.02 2.17 1zmcH1 PRO 16 HG2 0.02 -0.04 0.14 -0.04 2.03 2.11 1zmcH1 PRO 16 HG3 0.08 0.14 0.12 -0.04 2.03 2.33 1zmcH1 PRO 16 HD2 0.01 0.05 0.20 -0.04 3.68 3.90 1zmcH1 PRO 16 HD3 0.04 0.11 0.21 -0.04 3.65 3.97 1zmcH1 GLY 17 H -0.04 -0.01 -0.25 -0.55 8.43 7.58 1zmcH1 GLY 17 HA2 -0.11 0.24 0.08 -0.51 4.01 3.71 1zmcH1 GLY 17 HA3 -0.07 0.00 0.14 -0.51 4.01 3.57 1zmcH1 GLY 18 H -0.01 -0.14 -0.41 -0.55 8.43 7.33 1zmcH1 GLY 18 HA2 -0.01 0.11 0.25 -0.51 4.01 3.85 1zmcH1 GLY 18 HA3 0.05 0.16 0.17 -0.51 4.01 3.88 1zmcH1 TYR 19 H 0.20 0.34 -0.17 -0.55 8.29 8.11 1zmcH1 TYR 19 HA 0.42 0.10 0.35 -0.75 4.56 4.68 1zmcH1 TYR 19 HB2 -0.19 0.04 0.04 -0.04 3.06 2.90 1zmcH1 TYR 19 HB3 -0.03 -0.04 -0.01 -0.04 2.98 2.87 1zmcH1 TYR 19 HD2 -0.02 -0.02 -0.36 -0.04 7.15 6.71 1zmcH1 TYR 19 HE2 -0.03 -0.03 -0.11 -0.04 6.85 6.63 1zmcH1 VAL 20 H -0.48 0.24 -0.54 -0.55 8.24 6.92 1zmcH1 VAL 20 HA -0.29 0.08 0.44 -0.75 4.13 3.61 1zmcH1 VAL 20 HB -0.32 0.18 0.09 -0.04 2.12 2.03 1zmcH1 VAL 20 HG13 -0.15 -0.01 -0.12 -0.04 0.97 0.64 1zmcH1 VAL 20 HG23 -0.84 -0.05 -0.02 -0.04 0.95 -0.00 1zmcH1 ALA 21 H -0.12 0.37 -0.18 -0.55 8.40 7.93 1zmcH1 ALA 21 HA -0.08 0.03 0.20 -0.75 4.34 3.75 1zmcH1 ALA 21 HB3 -0.08 0.04 0.10 -0.04 1.41 1.44 1zmcH1 ALA 22 H 0.01 0.56 -0.22 -0.55 8.40 8.20 1zmcH1 ALA 22 HA -0.05 0.02 0.25 -0.75 4.34 3.81 1zmcH1 ALA 22 HB3 -0.09 0.02 -0.05 -0.04 1.41 1.25 1zmcH1 ILE 23 H 0.13 0.45 -0.16 -0.55 8.25 8.13 1zmcH1 ILE 23 HA 0.07 0.06 0.33 -0.75 4.18 3.88 1zmcH1 ILE 23 HB 0.09 0.01 0.12 -0.04 1.89 2.06 1zmcH1 ILE 23 HG12 0.27 0.06 -0.08 -0.04 1.49 1.69 1zmcH1 ILE 23 HG13 0.45 -0.03 0.02 -0.04 1.21 1.61 1zmcH1 ILE 23 HG23 0.08 0.00 -0.19 -0.04 0.93 0.78 1zmcH1 ILE 23 HD13 0.36 -0.02 -0.09 -0.04 0.88 1.08 1zmcH1 LYS 24 H 0.00 0.55 -0.23 -0.55 8.42 8.19 1zmcH1 LYS 24 HA 0.01 0.01 0.37 -0.75 4.32 3.95 1zmcH1 LYS 24 HB2 -0.02 -0.02 0.08 -0.04 1.87 1.86 1zmcH1 LYS 24 HB3 -0.01 0.09 0.06 -0.04 1.79 1.88 1zmcH1 LYS 24 HG2 -0.01 -0.02 -0.01 -0.04 1.46 1.38 1zmcH1 LYS 24 HG3 -0.00 0.03 -0.15 -0.04 1.46 1.30 1zmcH1 LYS 24 HD2 -0.01 0.01 0.01 -0.04 1.69 1.66 1zmcH1 LYS 24 HD3 -0.02 -0.07 -0.02 -0.04 1.68 1.53 1zmcH1 LYS 24 HE2 -0.01 -0.01 -0.05 -0.04 2.99 2.88 1zmcH1 LYS 24 HE3 -0.01 0.05 -0.05 -0.04 2.99 2.93 1zmcH1 ALA 25 H 0.02 0.61 -0.17 -0.55 8.40 8.31 1zmcH1 ALA 25 HA 0.22 -0.01 0.30 -0.75 4.34 4.09 1zmcH1 ALA 25 HB3 0.09 0.01 0.05 -0.04 1.41 1.52 1zmcH1 ALA 26 H 0.03 0.62 -0.10 -0.55 8.40 8.40 1zmcH1 ALA 26 HA 0.03 0.26 0.43 -0.75 4.34 4.30 1zmcH1 ALA 26 HB3 -0.01 0.04 0.10 -0.04 1.41 1.50 1zmcH1 GLN 27 H 0.01 0.56 -0.09 -0.55 8.47 8.40 1zmcH1 GLN 27 HA -0.02 0.01 0.37 -0.75 4.36 3.96 1zmcH1 GLN 27 HB2 -0.01 0.08 0.11 -0.04 2.15 2.29 1zmcH1 GLN 27 HB3 -0.01 -0.10 0.10 -0.04 2.02 1.97 1zmcH1 GLN 27 HG2 0.01 -0.04 0.06 -0.04 2.40 2.38 1zmcH1 GLN 27 HG3 0.02 0.29 0.13 -0.04 2.39 2.78 1zmcH1 GLN 27 HE21 0.03 -0.09 -0.05 -0.04 6.97 6.82 1zmcH1 GLN 27 HE22 0.03 0.03 -0.03 -0.04 7.69 7.68 1zmcH1 LEU 28 H -0.05 0.42 -0.61 -0.55 8.37 7.59 1zmcH1 LEU 28 HA -0.12 0.06 0.71 -0.75 4.35 4.24 1zmcH1 LEU 28 HB2 -0.16 0.13 0.14 -0.04 1.64 1.71 1zmcH1 LEU 28 HB3 -0.33 -0.07 0.12 -0.04 1.64 1.31 1zmcH1 LEU 28 HG -0.03 0.15 -0.10 -0.04 1.64 1.61 1zmcH1 LEU 28 HD13 0.03 -0.04 -0.21 -0.04 0.93 0.67 1zmcH1 LEU 28 HD23 -0.06 -0.01 -0.01 -0.04 0.89 0.77 1zmcH1 GLY 29 H -0.12 0.64 -0.12 -0.55 8.43 8.29 1zmcH1 GLY 29 HA2 -0.10 -0.02 0.32 -0.51 4.01 3.69 1zmcH1 GLY 29 HA3 -0.22 0.15 0.95 -0.51 4.01 4.38 1zmcH1 PHE 30 H -0.28 0.26 -0.07 -0.55 8.34 7.71 1zmcH1 PHE 30 HA -0.02 0.03 0.42 -0.75 4.62 4.30 1zmcH1 PHE 30 HB2 -0.04 -0.01 -0.18 -0.04 3.15 2.89 1zmcH1 PHE 30 HB3 -0.03 -0.12 -0.09 -0.04 3.06 2.78 1zmcH1 PHE 30 HD2 -0.03 -0.05 -0.03 -0.04 7.28 7.13 1zmcH1 PHE 30 HE2 -0.03 0.06 -0.05 -0.04 7.38 7.31 1zmcH1 PHE 30 HZ -0.03 0.02 -0.41 -0.04 7.32 6.87 1zmcH1 LYS 31 H 0.13 0.07 0.22 -0.55 8.42 8.28 1zmcH1 LYS 31 HA 0.03 0.23 0.87 -0.75 4.32 4.69 1zmcH1 LYS 31 HB2 0.01 0.06 0.17 -0.04 1.87 2.07 1zmcH1 LYS 31 HB3 0.03 0.08 0.20 -0.04 1.79 2.06 1zmcH1 LYS 31 HG2 0.06 -0.09 0.32 -0.04 1.46 1.70 1zmcH1 LYS 31 HG3 0.02 -0.17 0.29 -0.04 1.46 1.56 1zmcH1 LYS 31 HD2 0.02 0.11 0.10 -0.04 1.69 1.87 1zmcH1 LYS 31 HD3 0.02 0.05 0.10 -0.04 1.68 1.81 1zmcH1 LYS 31 HE2 0.05 0.01 0.04 -0.04 2.99 3.05 1zmcH1 LYS 31 HE3 0.03 -0.04 -0.10 -0.04 2.99 2.83 1zmcH1 THR 32 H 0.00 0.35 0.16 -0.55 8.28 8.24 1zmcH1 THR 32 HA -0.03 0.24 1.07 -0.75 4.39 4.92 1zmcH1 THR 32 HB -0.07 -0.00 0.00 -0.04 4.32 4.21 1zmcH1 THR 32 HG23 -0.07 -0.01 -0.10 -0.04 1.22 1.00 1zmcH1 VAL 33 H -0.06 0.62 0.37 -0.55 8.24 8.63 1zmcH1 VAL 33 HA -0.06 0.27 0.94 -0.75 4.13 4.52 1zmcH1 VAL 33 HB -0.03 -0.04 0.07 -0.04 2.12 2.09 1zmcH1 VAL 33 HG13 -0.00 -0.01 -0.28 -0.04 0.97 0.63 1zmcH1 VAL 33 HG23 -0.02 -0.00 -0.27 -0.04 0.95 0.62 1zmcH1 CYS 34 H -0.07 0.76 0.25 -0.55 8.50 8.89 1zmcH1 CYS 34 HA -0.02 0.32 1.09 -0.75 4.58 5.22 1zmcH1 CYS 34 HB2 -0.22 -0.02 -0.15 -0.04 2.97 2.54 1zmcH1 CYS 34 HB3 -0.23 -0.01 0.00 -0.04 2.97 2.70 1zmcH1 ILE 35 H 0.04 0.68 0.31 -0.55 8.25 8.72 1zmcH1 ILE 35 HA 0.12 0.51 0.84 -0.75 4.18 4.90 1zmcH1 ILE 35 HB 0.03 -0.10 0.07 -0.04 1.89 1.85 1zmcH1 ILE 35 HG12 0.04 0.04 -0.23 -0.04 1.49 1.30 1zmcH1 ILE 35 HG13 0.03 -0.10 -0.34 -0.04 1.21 0.76 1zmcH1 ILE 35 HG23 0.04 -0.01 -0.30 -0.04 0.93 0.63 1zmcH1 ILE 35 HD13 0.02 -0.00 -0.26 -0.04 0.88 0.60 1zmcH1 GLU 36 H 0.16 0.62 0.32 -0.55 8.60 9.15 1zmcH1 GLU 36 HA 0.04 -0.05 0.87 -0.75 4.29 4.38 1zmcH1 GLU 36 HB2 0.06 -0.08 -0.20 -0.04 2.09 1.84 1zmcH1 GLU 36 HB3 0.19 0.13 -0.03 -0.04 1.99 2.24 1zmcH1 GLU 36 HG2 0.00 0.01 -0.12 -0.04 2.34 2.19 1zmcH1 GLU 36 HG3 0.06 0.24 -0.31 -0.04 2.34 2.29 1zmcH1 LYS 37 H -0.03 0.04 0.12 -0.55 8.42 8.00 1zmcH1 LYS 37 HA 0.05 0.03 0.32 -0.75 4.32 3.97 1zmcH1 LYS 37 HB2 0.06 0.04 -0.04 -0.04 1.87 1.88 1zmcH1 LYS 37 HB3 -0.18 0.02 0.02 -0.04 1.79 1.61 1zmcH1 LYS 37 HG2 -0.10 -0.11 0.11 -0.04 1.46 1.31 1zmcH1 LYS 37 HG3 -0.03 0.02 -0.12 -0.04 1.46 1.28 1zmcH1 LYS 37 HD2 -0.08 0.05 -0.02 -0.04 1.69 1.60 1zmcH1 LYS 37 HD3 -0.30 0.04 0.02 -0.04 1.68 1.39 1zmcH1 LYS 37 HE2 -0.07 -0.04 -0.03 -0.04 2.99 2.81 1zmcH1 LYS 37 HE3 0.01 0.04 -0.02 -0.04 2.99 2.98 1zmcH1 ASN 38 H -0.00 -0.08 -0.02 -0.55 8.53 7.88 1zmcH1 ASN 38 HA 0.02 0.14 0.41 -0.75 4.76 4.58 1zmcH1 ASN 38 HB2 -0.02 0.06 0.07 -0.04 2.88 2.95 1zmcH1 ASN 38 HB3 -0.01 -0.07 0.12 -0.04 2.79 2.79 1zmcH1 ASN 38 HD21 -0.09 0.02 -0.01 -0.04 7.03 6.91 1zmcH1 ASN 38 HD22 -0.05 -0.02 -0.03 -0.04 7.74 7.59 1zmcH1 GLU 39 H 0.01 0.09 0.13 -0.55 8.60 8.29 1zmcH1 GLU 39 HA 0.03 0.13 0.39 -0.75 4.29 4.09 1zmcH1 GLU 39 HB2 0.01 -0.01 0.13 -0.04 2.09 2.19 1zmcH1 GLU 39 HB3 0.00 -0.02 0.04 -0.04 1.99 1.97 1zmcH1 GLU 39 HG2 0.01 0.01 -0.02 -0.04 2.34 2.31 1zmcH1 GLU 39 HG3 0.02 0.02 0.08 -0.04 2.34 2.42 1zmcH1 THR 40 H -0.00 -0.01 -0.27 -0.55 8.28 7.45 1zmcH1 THR 40 HA 0.00 0.28 0.81 -0.75 4.39 4.72 1zmcH1 THR 40 HB -0.05 -0.02 0.11 -0.04 4.32 4.32 1zmcH1 THR 40 HG23 -0.02 0.01 -0.21 -0.04 1.22 0.96 1zmcH1 LEU 41 H -0.10 0.20 0.13 -0.55 8.37 8.04 1zmcH1 LEU 41 HA -0.10 0.04 0.73 -0.75 4.35 4.26 1zmcH1 LEU 41 HB2 -0.30 0.06 0.04 -0.04 1.64 1.40 1zmcH1 LEU 41 HB3 -0.31 -0.04 0.11 -0.04 1.64 1.36 1zmcH1 LEU 41 HG -0.18 -0.01 -0.04 -0.04 1.64 1.38 1zmcH1 LEU 41 HD13 -0.45 0.02 -0.08 -0.04 0.93 0.39 1zmcH1 LEU 41 HD23 -0.49 0.02 -0.15 -0.04 0.89 0.23 1zmcH1 GLY 42 H -0.10 0.36 0.27 -0.55 8.43 8.41 1zmcH1 GLY 42 HA2 -0.13 0.05 0.38 -0.51 4.01 3.80 1zmcH1 GLY 42 HA3 -0.13 0.22 0.90 -0.51 4.01 4.48 1zmcH1 GLY 43 H -0.03 0.09 -0.18 -0.55 8.43 7.77 1zmcH1 GLY 43 HA2 -0.03 0.11 0.27 -0.51 4.01 3.85 1zmcH1 GLY 43 HA3 -0.00 -0.15 0.39 -0.51 4.01 3.74 1zmcH1 THR 44 H -0.02 0.09 0.22 -0.55 8.28 8.02 1zmcH1 THR 44 HA -0.03 0.16 0.40 -0.75 4.39 4.16 1zmcH1 THR 44 HB -0.02 -0.10 0.15 -0.04 4.32 4.32 1zmcH1 THR 44 HG23 -0.01 0.02 -0.17 -0.04 1.22 1.02 1zmcH1 CYS 45 H -0.01 0.07 0.04 -0.55 8.50 8.06 1zmcH1 CYS 45 HA -0.01 -0.16 0.49 -0.75 4.58 4.15 1zmcH1 CYS 45 HB2 0.01 -0.04 0.19 -0.04 2.97 3.08 1zmcH1 CYS 45 HB3 0.01 0.12 0.19 -0.04 2.97 3.25 1zmcH1 LEU 46 H -0.02 0.39 -0.08 -0.55 8.37 8.12 1zmcH1 LEU 46 HA -0.04 0.02 0.60 -0.75 4.35 4.18 1zmcH1 LEU 46 HB2 -0.05 -0.06 0.10 -0.04 1.64 1.59 1zmcH1 LEU 46 HB3 -0.06 0.12 0.13 -0.04 1.64 1.79 1zmcH1 LEU 46 HG -0.08 0.08 -0.19 -0.04 1.64 1.40 1zmcH1 LEU 46 HD13 -0.07 0.01 0.05 -0.04 0.93 0.88 1zmcH1 LEU 46 HD23 -0.16 -0.01 -0.15 -0.04 0.89 0.53 1zmcH1 ASN 47 H -0.04 0.34 -0.24 -0.55 8.53 8.05 1zmcH1 ASN 47 HA -0.03 0.20 0.60 -0.75 4.76 4.78 1zmcH1 ASN 47 HB2 -0.03 0.07 0.00 -0.04 2.88 2.88 1zmcH1 ASN 47 HB3 -0.03 -0.00 -0.05 -0.04 2.79 2.67 1zmcH1 ASN 47 HD21 -0.06 0.21 -0.49 -0.04 7.03 6.64 1zmcH1 ASN 47 HD22 -0.05 0.23 -0.29 -0.04 7.74 7.59 1zmcH1 VAL 48 H -0.02 0.34 -0.07 -0.55 8.24 7.94 1zmcH1 VAL 48 HA -0.01 0.24 0.66 -0.75 4.13 4.27 1zmcH1 VAL 48 HB 0.00 -0.09 0.16 -0.04 2.12 2.15 1zmcH1 VAL 48 HG13 -0.01 0.01 -0.23 -0.04 0.97 0.70 1zmcH1 VAL 48 HG23 -0.02 -0.03 -0.04 -0.04 0.95 0.82 1zmcH1 GLY 49 H -0.02 0.17 -0.21 -0.55 8.43 7.83 1zmcH1 GLY 49 HA2 0.00 0.21 1.00 -0.51 4.01 4.71 1zmcH1 GLY 49 HA3 -0.01 -0.17 0.33 -0.51 4.01 3.65 1zmcH1 CYS 50 H -0.02 -0.04 0.25 -0.55 8.50 8.15 1zmcH1 CYS 50 HA -0.06 0.02 0.33 -0.75 4.58 4.12 1zmcH1 CYS 50 HB2 -0.06 0.09 -0.02 -0.04 2.97 2.94 1zmcH1 CYS 50 HB3 -0.09 0.02 0.08 -0.04 2.97 2.94 1zmcH1 ILE 51 H -0.05 0.50 -0.02 -0.55 8.25 8.13 1zmcH1 ILE 51 HA -0.08 0.02 0.47 -0.75 4.18 3.84 1zmcH1 ILE 51 HB -0.04 0.28 0.25 -0.04 1.89 2.33 1zmcH1 ILE 51 HG12 -0.04 -0.08 -0.11 -0.04 1.49 1.22 1zmcH1 ILE 51 HG13 -0.05 0.04 0.03 -0.04 1.21 1.19 1zmcH1 ILE 51 HG23 -0.05 0.01 -0.12 -0.04 0.93 0.72 1zmcH1 ILE 51 HD13 -0.05 -0.02 -0.09 -0.04 0.88 0.68 1zmcH1 PRO 52 HA -0.04 0.06 0.43 -0.51 4.44 4.38 1zmcH1 PRO 52 HB2 -0.01 0.09 -0.05 -0.04 2.28 2.26 1zmcH1 PRO 52 HB3 -0.02 0.09 0.03 -0.04 2.02 2.08 1zmcH1 PRO 52 HG2 -0.01 0.08 -0.19 -0.04 2.03 1.87 1zmcH1 PRO 52 HG3 -0.01 0.12 -0.33 -0.04 2.03 1.77 1zmcH1 PRO 52 HD2 -0.03 -0.10 -0.21 -0.04 3.68 3.30 1zmcH1 PRO 52 HD3 -0.03 0.45 -0.00 -0.04 3.65 4.02 1zmcH1 SER 53 H -0.03 0.55 -0.31 -0.55 8.46 8.11 1zmcH1 SER 53 HA -0.04 0.08 0.38 -0.75 4.49 4.16 1zmcH1 SER 53 HB2 0.00 -0.09 -0.06 -0.04 3.95 3.76 1zmcH1 SER 53 HB3 0.01 0.00 -0.01 -0.04 3.93 3.88 1zmcH1 LYS 54 H -0.11 0.67 -0.04 -0.55 8.42 8.38 1zmcH1 LYS 54 HA -0.12 -0.01 0.46 -0.75 4.32 3.90 1zmcH1 LYS 54 HB2 -0.20 0.32 0.28 -0.04 1.87 2.22 1zmcH1 LYS 54 HB3 -0.18 -0.02 0.00 -0.04 1.79 1.56 1zmcH1 LYS 54 HG2 -0.65 -0.04 0.02 -0.04 1.46 0.75 1zmcH1 LYS 54 HG3 -0.52 -0.02 0.08 -0.04 1.46 0.96 1zmcH1 LYS 54 HD2 -0.41 0.11 0.10 -0.04 1.69 1.46 1zmcH1 LYS 54 HD3 -1.46 -0.10 0.02 -0.04 1.68 0.10 1zmcH1 LYS 54 HE2 -0.17 -0.05 -0.03 -0.04 2.99 2.70 1zmcH1 LYS 54 HE3 -0.16 -0.03 -0.19 -0.04 2.99 2.57 1zmcH1 ALA 55 H -0.07 0.56 -0.12 -0.55 8.40 8.22 1zmcH1 ALA 55 HA -0.04 -0.00 0.45 -0.75 4.34 3.99 1zmcH1 ALA 55 HB3 -0.04 0.03 0.10 -0.04 1.41 1.46 1zmcH1 LEU 56 H -0.08 0.57 -0.05 -0.55 8.37 8.27 1zmcH1 LEU 56 HA -0.12 0.02 0.48 -0.75 4.35 3.97 1zmcH1 LEU 56 HB2 -0.13 0.07 0.14 -0.04 1.64 1.68 1zmcH1 LEU 56 HB3 -0.27 -0.04 0.01 -0.04 1.64 1.30 1zmcH1 LEU 56 HG -0.07 0.11 0.10 -0.04 1.64 1.73 1zmcH1 LEU 56 HD13 -0.11 0.03 0.00 -0.04 0.93 0.81 1zmcH1 LEU 56 HD23 -0.13 -0.02 -0.03 -0.04 0.89 0.66 1zmcH1 LEU 57 H -0.07 0.50 -0.26 -0.55 8.37 7.99 1zmcH1 LEU 57 HA -0.06 0.02 0.45 -0.75 4.35 4.00 1zmcH1 LEU 57 HB2 -0.02 0.08 0.21 -0.04 1.64 1.86 1zmcH1 LEU 57 HB3 0.03 0.08 0.00 -0.04 1.64 1.71 1zmcH1 LEU 57 HG -0.02 0.05 -0.04 -0.04 1.64 1.59 1zmcH1 LEU 57 HD13 0.07 -0.04 -0.17 -0.04 0.93 0.75 1zmcH1 LEU 57 HD23 0.07 0.00 -0.05 -0.04 0.89 0.86 1zmcH1 ASN 58 H -0.06 0.54 -0.11 -0.55 8.53 8.35 1zmcH1 ASN 58 HA -0.16 0.02 0.48 -0.75 4.76 4.35 1zmcH1 ASN 58 HB2 -0.05 0.03 0.14 -0.04 2.88 2.96 1zmcH1 ASN 58 HB3 -0.03 0.07 0.19 -0.04 2.79 2.98 1zmcH1 ASN 58 HD21 -0.18 -0.02 0.00 -0.04 7.03 6.79 1zmcH1 ASN 58 HD22 -0.23 0.00 0.06 -0.04 7.74 7.53 1zmcH1 ASN 59 H -0.05 0.71 0.02 -0.55 8.53 8.67 1zmcH1 ASN 59 HA 0.10 0.01 0.39 -0.75 4.76 4.51 1zmcH1 ASN 59 HB2 -0.06 0.07 0.16 -0.04 2.88 3.01 1zmcH1 ASN 59 HB3 -0.01 -0.06 0.03 -0.04 2.79 2.71 1zmcH1 ASN 59 HD21 -0.01 -0.11 -0.03 -0.04 7.03 6.84 1zmcH1 ASN 59 HD22 -0.04 0.11 0.04 -0.04 7.74 7.81 1zmcH1 SER 60 H -0.08 0.63 -0.14 -0.55 8.46 8.32 1zmcH1 SER 60 HA -0.01 0.00 0.39 -0.75 4.49 4.13 1zmcH1 SER 60 HB2 -0.10 0.02 0.08 -0.04 3.95 3.92 1zmcH1 SER 60 HB3 -0.21 0.01 0.13 -0.04 3.93 3.82 1zmcH1 HIS 61 H 0.00 0.46 -0.29 -0.55 8.41 8.04 1zmcH1 HIS 61 HA 0.02 0.06 0.48 -0.75 4.63 4.43 1zmcH1 HIS 61 HB2 -0.08 0.00 0.10 -0.04 3.26 3.24 1zmcH1 HIS 61 HB3 -0.27 0.12 0.18 -0.04 3.20 3.19 1zmcH1 HIS 61 HD2 -0.21 0.04 0.04 -0.04 6.97 6.80 1zmcH1 HIS 61 HE1 -0.19 -0.01 -0.06 -0.04 7.75 7.45 1zmcH1 TYR 62 H -0.11 0.47 -0.22 -0.55 8.29 7.88 1zmcH1 TYR 62 HA -0.33 0.02 0.49 -0.75 4.56 3.99 1zmcH1 TYR 62 HB2 -0.03 0.15 0.17 -0.04 3.06 3.31 1zmcH1 TYR 62 HB3 -0.09 -0.05 0.01 -0.04 2.98 2.81 1zmcH1 TYR 62 HD2 -0.05 -0.02 -0.03 -0.04 7.15 7.01 1zmcH1 TYR 62 HE2 0.09 -0.03 -0.03 -0.04 6.85 6.83 1zmcH1 TYR 63 H 0.12 0.46 -0.19 -0.55 8.29 8.14 1zmcH1 TYR 63 HA -0.08 -0.02 0.38 -0.75 4.56 4.09 1zmcH1 TYR 63 HB2 -0.06 -0.04 0.07 -0.04 3.06 2.99 1zmcH1 TYR 63 HB3 -0.06 0.20 0.15 -0.04 2.98 3.23 1zmcH1 TYR 63 HD2 -0.07 0.05 -0.13 -0.04 7.15 6.96 1zmcH1 TYR 63 HE2 -0.19 0.04 -0.21 -0.04 6.85 6.44 1zmcH1 HIS 64 H 0.08 0.53 -0.20 -0.55 8.41 8.28 1zmcH1 HIS 64 HA -0.17 0.07 0.40 -0.75 4.63 4.17 1zmcH1 HIS 64 HB2 0.00 0.06 0.15 -0.04 3.26 3.44 1zmcH1 HIS 64 HB3 -0.15 0.13 0.20 -0.04 3.20 3.35 1zmcH1 HIS 64 HD2 -0.02 -0.02 0.10 -0.04 6.97 6.99 1zmcH1 HIS 64 HE1 0.07 -0.02 0.03 -0.04 7.75 7.80 1zmcH1 MET 65 H -0.34 0.43 -0.23 -0.55 8.47 7.79 1zmcH1 MET 65 HA -0.37 -0.06 0.41 -0.75 4.52 3.75 1zmcH1 MET 65 HB2 -0.45 0.12 0.15 -0.04 2.15 1.93 1zmcH1 MET 65 HB3 -0.16 -0.07 0.03 -0.04 2.03 1.79 1zmcH1 MET 65 HG2 -0.78 0.38 0.13 -0.04 2.63 2.32 1zmcH1 MET 65 HG3 -0.29 -0.07 0.00 -0.04 2.56 2.16 1zmcH1 MET 65 HE3 -0.40 -0.02 -0.08 -0.04 2.10 1.56 1zmcH1 ALA 66 H -0.50 0.42 -0.25 -0.55 8.40 7.53 1zmcH1 ALA 66 HA -0.60 0.02 0.57 -0.75 4.34 3.57 1zmcH1 ALA 66 HB3 -0.40 -0.00 0.09 -0.04 1.41 1.05 1zmcH1 HIS 67 H -0.38 0.71 0.10 -0.55 8.41 8.30 1zmcH1 HIS 67 HA -0.21 0.01 0.43 -0.75 4.63 4.10 1zmcH1 HIS 67 HB2 -0.80 -0.12 0.06 -0.04 3.26 2.37 1zmcH1 HIS 67 HB3 -0.77 0.10 0.08 -0.04 3.20 2.56 1zmcH1 HIS 67 HD2 -0.04 0.08 0.14 -0.04 6.97 7.10 1zmcH1 HIS 67 HE1 0.04 -0.01 0.04 -0.04 7.75 7.77 1zmcH1 GLY 68 H -0.17 0.21 -0.54 -0.55 8.43 7.37 1zmcH1 GLY 68 HA2 -0.11 0.15 0.78 -0.51 4.01 4.32 1zmcH1 GLY 68 HA3 -0.05 -0.00 0.39 -0.51 4.01 3.83 1zmcH1 THR 69 H -0.04 0.12 0.18 -0.55 8.28 7.98 1zmcH1 THR 69 HA -0.03 0.18 0.54 -0.75 4.39 4.32 1zmcH1 THR 69 HB -0.01 0.01 0.07 -0.04 4.32 4.35 1zmcH1 THR 69 HG23 -0.00 -0.01 0.06 -0.04 1.22 1.23 1zmcH1 ASP 70 H -0.08 0.09 -0.09 -0.55 8.40 7.77 1zmcH1 ASP 70 HA 0.03 0.03 0.30 -0.75 4.63 4.23 1zmcH1 ASP 70 HB2 -0.07 -0.05 0.15 -0.04 2.71 2.70 1zmcH1 ASP 70 HB3 0.01 0.09 0.21 -0.04 2.70 2.97 1zmcH1 PHE 71 H 0.19 0.65 0.08 -0.55 8.34 8.71 1zmcH1 PHE 71 HA -0.04 0.01 0.42 -0.75 4.62 4.25 1zmcH1 PHE 71 HB2 -0.07 0.18 0.19 -0.04 3.15 3.41 1zmcH1 PHE 71 HB3 -0.05 0.10 0.04 -0.04 3.06 3.11 1zmcH1 PHE 71 HD2 -0.06 -0.02 -0.10 -0.04 7.28 7.06 1zmcH1 PHE 71 HE2 -0.06 -0.03 -0.05 -0.04 7.38 7.19 1zmcH1 PHE 71 HZ -0.13 -0.05 -0.03 -0.04 7.32 7.07 1zmcH1 ALA 72 H 0.08 0.25 -0.17 -0.55 8.40 8.01 1zmcH1 ALA 72 HA 0.03 0.05 0.32 -0.75 4.34 3.98 1zmcH1 ALA 72 HB3 0.01 0.04 0.11 -0.04 1.41 1.52 1zmcH1 SER 73 H 0.02 0.57 -0.06 -0.55 8.46 8.45 1zmcH1 SER 73 HA 0.00 -0.04 0.33 -0.75 4.49 4.03 1zmcH1 SER 73 HB2 0.01 -0.09 0.13 -0.04 3.95 3.96 1zmcH1 SER 73 HB3 0.01 -0.01 0.13 -0.04 3.93 4.02 1zmcH1 ARG 74 H -0.01 0.30 -0.92 -0.55 8.46 7.28 1zmcH1 ARG 74 HA -0.04 0.13 0.79 -0.75 4.34 4.46 1zmcH1 ARG 74 HB2 -0.15 0.11 0.15 -0.04 1.90 1.97 1zmcH1 ARG 74 HB3 -0.15 -0.10 0.12 -0.04 1.80 1.63 1zmcH1 ARG 74 HG2 -0.06 -0.02 -0.01 -0.04 1.67 1.54 1zmcH1 ARG 74 HG3 -0.03 0.09 -0.09 -0.04 1.67 1.60 1zmcH1 ARG 74 HD2 -0.25 -0.05 -0.06 -0.04 3.22 2.81 1zmcH1 ARG 74 HD3 -0.16 -0.07 -0.02 -0.04 3.22 2.93 1zmcH1 GLY 75 H -0.02 0.69 -0.05 -0.55 8.43 8.50 1zmcH1 GLY 75 HA2 -0.02 -0.02 0.31 -0.51 4.01 3.77 1zmcH1 GLY 75 HA3 -0.04 0.08 0.66 -0.51 4.01 4.20 1zmcH1 ILE 76 H -0.04 0.60 -0.06 -0.55 8.25 8.21 1zmcH1 ILE 76 HA -0.03 0.12 0.83 -0.75 4.18 4.34 1zmcH1 ILE 76 HB -0.03 -0.04 0.09 -0.04 1.89 1.86 1zmcH1 ILE 76 HG12 -0.17 -0.00 -0.11 -0.04 1.49 1.17 1zmcH1 ILE 76 HG13 -0.20 0.07 -0.32 -0.04 1.21 0.72 1zmcH1 ILE 76 HG23 0.06 -0.02 -0.11 -0.04 0.93 0.83 1zmcH1 ILE 76 HD13 -0.78 -0.02 -0.03 -0.04 0.88 0.01 1zmcH1 GLU 77 H 0.01 0.22 -0.01 -0.55 8.60 8.27 1zmcH1 GLU 77 HA 0.03 0.21 0.91 -0.75 4.29 4.68 1zmcH1 GLU 77 HB2 0.00 -0.02 0.03 -0.04 2.09 2.06 1zmcH1 GLU 77 HB3 0.00 0.01 -0.07 -0.04 1.99 1.89 1zmcH1 GLU 77 HG2 0.00 0.04 -0.08 -0.04 2.34 2.26 1zmcH1 GLU 77 HG3 0.00 -0.04 -0.31 -0.04 2.34 1.95 1zmcH1 MET 78 H 0.01 0.38 0.14 -0.55 8.47 8.45 1zmcH1 MET 78 HA 0.01 0.08 0.69 -0.75 4.52 4.55 1zmcH1 MET 78 HB2 0.01 0.04 -0.11 -0.04 2.15 2.05 1zmcH1 MET 78 HB3 0.02 0.02 -0.02 -0.04 2.03 2.01 1zmcH1 MET 78 HG2 0.01 0.03 -0.03 -0.04 2.63 2.60 1zmcH1 MET 78 HG3 0.00 0.01 -0.20 -0.04 2.56 2.34 1zmcH1 MET 78 HE3 0.05 0.02 -0.05 -0.04 2.10 2.08 1zmcH1 SER 79 H 0.01 0.11 0.11 -0.55 8.46 8.14 1zmcH1 SER 79 HA 0.00 0.07 0.41 -0.75 4.49 4.22 1zmcH1 SER 79 HB2 0.01 -0.06 0.18 -0.04 3.95 4.04 1zmcH1 SER 79 HB3 0.01 0.02 0.05 -0.04 3.93 3.96 1zmcH1 GLU 80 H 0.01 0.13 0.04 -0.55 8.60 8.24 1zmcH1 GLU 80 HA 0.02 0.27 0.88 -0.75 4.29 4.70 1zmcH1 GLU 80 HB2 0.02 -0.01 -0.18 -0.04 2.09 1.88 1zmcH1 GLU 80 HB3 0.03 -0.06 -0.05 -0.04 1.99 1.87 1zmcH1 GLU 80 HG2 0.06 0.02 -0.11 -0.04 2.34 2.28 1zmcH1 GLU 80 HG3 0.04 0.07 0.04 -0.04 2.34 2.45 1zmcH1 VAL 81 H 0.08 0.31 0.13 -0.55 8.24 8.20 1zmcH1 VAL 81 HA 0.05 0.10 0.82 -0.75 4.13 4.35 1zmcH1 VAL 81 HB 0.09 0.07 0.08 -0.04 2.12 2.31 1zmcH1 VAL 81 HG13 -0.01 -0.02 -0.20 -0.04 0.97 0.70 1zmcH1 VAL 81 HG23 -0.03 0.03 -0.31 -0.04 0.95 0.60 1zmcH1 ARG 82 H 0.09 0.19 0.10 -0.55 8.46 8.29 1zmcH1 ARG 82 HA 0.13 0.23 1.03 -0.75 4.34 4.98 1zmcH1 ARG 82 HB2 0.04 -0.04 -0.01 -0.04 1.90 1.86 1zmcH1 ARG 82 HB3 0.04 0.05 -0.01 -0.04 1.80 1.84 1zmcH1 ARG 82 HG2 0.06 0.10 -0.18 -0.04 1.67 1.61 1zmcH1 ARG 82 HG3 0.06 -0.09 -0.40 -0.04 1.67 1.19 1zmcH1 ARG 82 HD2 0.03 0.02 -0.05 -0.04 3.22 3.18 1zmcH1 ARG 82 HD3 0.03 0.00 -0.09 -0.04 3.22 3.13 1zmcH1 LEU 83 H 0.01 0.21 0.16 -0.55 8.37 8.20 1zmcH1 LEU 83 HA -0.12 0.11 0.66 -0.75 4.35 4.24 1zmcH1 LEU 83 HB2 -0.79 0.12 0.09 -0.04 1.64 1.02 1zmcH1 LEU 83 HB3 -0.21 0.03 0.19 -0.04 1.64 1.61 1zmcH1 LEU 83 HG -0.18 -0.23 -0.33 -0.04 1.64 0.86 1zmcH1 LEU 83 HD13 -0.41 -0.03 -0.08 -0.04 0.93 0.38 1zmcH1 LEU 83 HD23 -0.31 0.04 0.02 -0.04 0.89 0.60 1zmcH1 ASN 84 H -0.06 0.24 0.09 -0.55 8.53 8.25 1zmcH1 ASN 84 HA -0.03 0.22 0.86 -0.75 4.76 5.06 1zmcH1 ASN 84 HB2 -0.01 0.14 0.05 -0.04 2.88 3.02 1zmcH1 ASN 84 HB3 -0.02 -0.01 0.26 -0.04 2.79 2.98 1zmcH1 ASN 84 HD21 -0.00 0.03 0.03 -0.04 7.03 7.05 1zmcH1 ASN 84 HD22 -0.00 0.09 0.04 -0.04 7.74 7.83 1zmcH1 LEU 85 H -0.05 0.35 -0.11 -0.55 8.37 8.01 1zmcH1 LEU 85 HA -0.06 0.06 0.32 -0.75 4.35 3.91 1zmcH1 LEU 85 HB2 -0.00 0.05 0.05 -0.04 1.64 1.69 1zmcH1 LEU 85 HB3 0.01 0.05 0.02 -0.04 1.64 1.68 1zmcH1 LEU 85 HG 0.08 0.04 -0.19 -0.04 1.64 1.53 1zmcH1 LEU 85 HD13 0.03 -0.01 -0.03 -0.04 0.93 0.88 1zmcH1 LEU 85 HD23 0.22 0.06 -0.27 -0.04 0.89 0.86 1zmcH1 ASP 86 H -0.01 0.07 -0.34 -0.55 8.40 7.57 1zmcH1 ASP 86 HA 0.00 0.17 0.47 -0.75 4.63 4.53 1zmcH1 ASP 86 HB2 -0.01 -0.05 0.08 -0.04 2.71 2.70 1zmcH1 ASP 86 HB3 -0.00 0.03 -0.07 -0.04 2.70 2.61 1zmcH1 LYS 87 H -0.01 0.18 -0.08 -0.55 8.42 7.95 1zmcH1 LYS 87 HA -0.01 0.08 0.52 -0.75 4.32 4.16 1zmcH1 LYS 87 HB2 -0.01 -0.01 0.13 -0.04 1.87 1.94 1zmcH1 LYS 87 HB3 -0.01 0.09 0.16 -0.04 1.79 1.99 1zmcH1 LYS 87 HG2 -0.00 0.04 0.02 -0.04 1.46 1.47 1zmcH1 LYS 87 HG3 -0.01 -0.01 -0.10 -0.04 1.46 1.30 1zmcH1 LYS 87 HD2 -0.01 -0.05 0.14 -0.04 1.69 1.73 1zmcH1 LYS 87 HD3 -0.00 0.02 0.04 -0.04 1.68 1.70 1zmcH1 LYS 87 HE2 -0.00 -0.03 0.01 -0.04 2.99 2.93 1zmcH1 LYS 87 HE3 -0.00 0.01 0.01 -0.04 2.99 2.96 1zmcH1 MET 88 H -0.03 0.52 -0.08 -0.55 8.47 8.33 1zmcH1 MET 88 HA -0.03 0.03 0.42 -0.75 4.52 4.19 1zmcH1 MET 88 HB2 -0.07 -0.01 0.04 -0.04 2.15 2.07 1zmcH1 MET 88 HB3 -0.08 0.08 0.05 -0.04 2.03 2.04 1zmcH1 MET 88 HG2 -0.12 0.05 -0.15 -0.04 2.63 2.37 1zmcH1 MET 88 HG3 -0.06 -0.06 0.05 -0.04 2.56 2.45 1zmcH1 MET 88 HE3 -0.23 0.01 -0.06 -0.04 2.10 1.77 1zmcH1 MET 89 H -0.02 0.38 -0.39 -0.55 8.47 7.90 1zmcH1 MET 89 HA -0.02 0.08 0.56 -0.75 4.52 4.38 1zmcH1 MET 89 HB2 0.01 0.10 0.14 -0.04 2.15 2.35 1zmcH1 MET 89 HB3 0.01 -0.05 0.06 -0.04 2.03 2.01 1zmcH1 MET 89 HG2 0.01 -0.02 -0.01 -0.04 2.63 2.57 1zmcH1 MET 89 HG3 0.06 0.06 -0.03 -0.04 2.56 2.60 1zmcH1 MET 89 HE3 0.22 0.03 -0.19 -0.04 2.10 2.13 1zmcH1 GLU 90 H -0.01 0.30 -0.32 -0.55 8.60 8.02 1zmcH1 GLU 90 HA -0.01 0.03 0.50 -0.75 4.29 4.06 1zmcH1 GLU 90 HB2 -0.01 0.11 0.18 -0.04 2.09 2.34 1zmcH1 GLU 90 HB3 -0.01 0.15 0.25 -0.04 1.99 2.33 1zmcH1 GLU 90 HG2 -0.01 -0.06 -0.12 -0.04 2.34 2.11 1zmcH1 GLU 90 HG3 -0.01 -0.02 0.05 -0.04 2.34 2.32 1zmcH1 GLN 91 H -0.01 0.51 -0.06 -0.55 8.47 8.35 1zmcH1 GLN 91 HA -0.01 0.00 0.34 -0.75 4.36 3.94 1zmcH1 GLN 91 HB2 -0.00 0.04 0.12 -0.04 2.15 2.27 1zmcH1 GLN 91 HB3 -0.01 0.13 0.08 -0.04 2.02 2.17 1zmcH1 GLN 91 HG2 0.00 -0.03 0.04 -0.04 2.40 2.37 1zmcH1 GLN 91 HG3 0.01 0.02 0.00 -0.04 2.39 2.38 1zmcH1 GLN 91 HE21 -0.00 -0.03 -0.04 -0.04 6.97 6.85 1zmcH1 GLN 91 HE22 0.00 0.00 -0.01 -0.04 7.69 7.64 1zmcH1 LYS 92 H -0.02 0.28 -0.54 -0.55 8.42 7.59 1zmcH1 LYS 92 HA -0.03 -0.01 0.44 -0.75 4.32 3.97 1zmcH1 LYS 92 HB2 -0.04 -0.00 0.08 -0.04 1.87 1.87 1zmcH1 LYS 92 HB3 -0.02 0.22 0.18 -0.04 1.79 2.13 1zmcH1 LYS 92 HG2 -0.02 -0.06 -0.26 -0.04 1.46 1.07 1zmcH1 LYS 92 HG3 -0.03 -0.05 0.13 -0.04 1.46 1.46 1zmcH1 LYS 92 HD2 -0.01 -0.09 0.03 -0.04 1.69 1.58 1zmcH1 LYS 92 HD3 -0.03 0.02 0.08 -0.04 1.68 1.71 1zmcH1 LYS 92 HE2 -0.00 0.05 0.16 -0.04 2.99 3.15 1zmcH1 LYS 92 HE3 -0.01 -0.09 -0.01 -0.04 2.99 2.85 1zmcH1 SER 93 H -0.01 0.60 0.02 -0.55 8.46 8.52 1zmcH1 SER 93 HA -0.02 -0.01 0.47 -0.75 4.49 4.18 1zmcH1 SER 93 HB2 -0.01 0.09 0.21 -0.04 3.95 4.20 1zmcH1 SER 93 HB3 -0.01 -0.08 0.06 -0.04 3.93 3.86 1zmcH1 THR 94 H -0.02 0.73 -0.16 -0.55 8.28 8.29 1zmcH1 THR 94 HA -0.02 0.00 0.39 -0.75 4.39 4.01 1zmcH1 THR 94 HB -0.01 0.14 0.11 -0.04 4.32 4.51 1zmcH1 THR 94 HG23 -0.02 -0.02 -0.09 -0.04 1.22 1.05 1zmcH1 ALA 95 H -0.02 0.48 -0.22 -0.55 8.40 8.09 1zmcH1 ALA 95 HA -0.03 0.00 0.42 -0.75 4.34 3.98 1zmcH1 ALA 95 HB3 -0.03 0.05 0.12 -0.04 1.41 1.51 1zmcH1 VAL 96 H -0.03 0.50 -0.11 -0.55 8.24 8.06 1zmcH1 VAL 96 HA -0.05 -0.03 0.37 -0.75 4.13 3.67 1zmcH1 VAL 96 HB -0.03 0.08 0.18 -0.04 2.12 2.31 1zmcH1 VAL 96 HG13 -0.04 0.02 -0.07 -0.04 0.97 0.84 1zmcH1 VAL 96 HG23 -0.03 0.10 0.07 -0.04 0.95 1.05 1zmcH1 LYS 97 H -0.03 0.79 -0.03 -0.55 8.42 8.59 1zmcH1 LYS 97 HA -0.04 -0.05 0.37 -0.75 4.32 3.85 1zmcH1 LYS 97 HB2 -0.02 0.01 0.13 -0.04 1.87 1.94 1zmcH1 LYS 97 HB3 -0.03 0.15 0.21 -0.04 1.79 2.09 1zmcH1 LYS 97 HG2 -0.02 0.00 -0.02 -0.04 1.46 1.38 1zmcH1 LYS 97 HG3 -0.03 -0.04 -0.20 -0.04 1.46 1.15 1zmcH1 LYS 97 HD2 -0.02 -0.01 -0.00 -0.04 1.69 1.62 1zmcH1 LYS 97 HD3 -0.02 -0.05 0.04 -0.04 1.68 1.61 1zmcH1 LYS 97 HE2 -0.01 -0.02 -0.00 -0.04 2.99 2.92 1zmcH1 LYS 97 HE3 -0.02 0.04 0.00 -0.04 2.99 2.97 1zmcH1 ALA 98 H -0.04 0.63 -0.21 -0.55 8.40 8.23 1zmcH1 ALA 98 HA -0.04 0.00 0.41 -0.75 4.34 3.95 1zmcH1 ALA 98 HB3 -0.04 0.02 0.11 -0.04 1.41 1.47 1zmcH1 LEU 99 H -0.06 0.67 -0.01 -0.55 8.37 8.43 1zmcH1 LEU 99 HA -0.08 0.01 0.47 -0.75 4.35 3.99 1zmcH1 LEU 99 HB2 -0.07 0.14 0.17 -0.04 1.64 1.84 1zmcH1 LEU 99 HB3 -0.10 -0.12 0.03 -0.04 1.64 1.41 1zmcH1 LEU 99 HG -0.05 0.08 0.06 -0.04 1.64 1.69 1zmcH1 LEU 99 HD13 -0.05 -0.02 -0.03 -0.04 0.93 0.79 1zmcH1 LEU 99 HD23 -0.05 -0.02 0.01 -0.04 0.89 0.78 1zmcH1 THR 100 H -0.08 0.73 -0.12 -0.55 8.28 8.26 1zmcH1 THR 100 HA -0.17 0.00 0.49 -0.75 4.39 3.96 1zmcH1 THR 100 HB -0.09 -0.16 0.07 -0.04 4.32 4.09 1zmcH1 THR 100 HG23 -0.08 0.08 -0.01 -0.04 1.22 1.17 1zmcH1 GLY 101 H -0.07 0.65 -0.07 -0.55 8.43 8.39 1zmcH1 GLY 101 HA2 -0.05 -0.03 0.42 -0.51 4.01 3.84 1zmcH1 GLY 101 HA3 -0.05 0.12 0.36 -0.51 4.01 3.92 1zmcH1 GLY 102 H -0.09 0.45 -0.33 -0.55 8.43 7.92 1zmcH1 GLY 102 HA2 -0.04 0.01 0.37 -0.51 4.01 3.84 1zmcH1 GLY 102 HA3 -0.09 0.06 0.27 -0.51 4.01 3.74 1zmcH1 ILE 103 H -0.23 0.41 -0.26 -0.55 8.25 7.62 1zmcH1 ILE 103 HA -0.43 0.03 0.43 -0.75 4.18 3.45 1zmcH1 ILE 103 HB -0.43 0.08 0.13 -0.04 1.89 1.63 1zmcH1 ILE 103 HG12 -0.38 0.35 0.16 -0.04 1.49 1.57 1zmcH1 ILE 103 HG13 -0.52 -0.13 -0.12 -0.04 1.21 0.39 1zmcH1 ILE 103 HG23 -1.01 -0.04 -0.10 -0.04 0.93 -0.25 1zmcH1 ILE 103 HD13 -1.20 -0.03 -0.05 -0.04 0.88 -0.44 1zmcH1 ALA 104 H -0.20 0.47 -0.06 -0.55 8.40 8.06 1zmcH1 ALA 104 HA -0.12 -0.02 0.37 -0.75 4.34 3.81 1zmcH1 ALA 104 HB3 -0.02 0.05 0.13 -0.04 1.41 1.54 1zmcH1 HIS 105 H 0.05 0.52 -0.21 -0.55 8.41 8.24 1zmcH1 HIS 105 HA 0.01 0.02 0.45 -0.75 4.63 4.36 1zmcH1 HIS 105 HB2 -0.03 0.04 0.09 -0.04 3.26 3.33 1zmcH1 HIS 105 HB3 -0.03 0.08 0.10 -0.04 3.20 3.31 1zmcH1 HIS 105 HD2 0.00 -0.01 0.01 -0.04 6.97 6.93 1zmcH1 HIS 105 HE1 0.01 0.01 -0.03 -0.04 7.75 7.69 1zmcH1 LEU 106 H 0.02 0.52 -0.13 -0.55 8.37 8.23 1zmcH1 LEU 106 HA 0.06 0.04 0.45 -0.75 4.35 4.14 1zmcH1 LEU 106 HB2 -0.00 0.07 0.16 -0.04 1.64 1.83 1zmcH1 LEU 106 HB3 0.12 -0.05 0.02 -0.04 1.64 1.69 1zmcH1 LEU 106 HG 0.06 0.13 0.10 -0.04 1.64 1.88 1zmcH1 LEU 106 HD13 0.01 -0.04 -0.07 -0.04 0.93 0.79 1zmcH1 LEU 106 HD23 0.09 -0.01 -0.01 -0.04 0.89 0.92 1zmcH1 PHE 107 H 0.10 0.54 -0.18 -0.55 8.34 8.25 1zmcH1 PHE 107 HA 0.01 0.00 0.42 -0.75 4.62 4.29 1zmcH1 PHE 107 HB2 -0.02 0.12 0.17 -0.04 3.15 3.37 1zmcH1 PHE 107 HB3 0.01 0.13 -0.05 -0.04 3.06 3.11 1zmcH1 PHE 107 HD2 -0.04 0.02 -0.11 -0.04 7.28 7.10 1zmcH1 PHE 107 HE2 -0.01 0.07 -0.03 -0.04 7.38 7.38 1zmcH1 PHE 107 HZ 0.06 -0.13 -0.04 -0.04 7.32 7.16 1zmcH1 LYS 108 H 0.10 0.58 0.02 -0.55 8.42 8.56 1zmcH1 LYS 108 HA 0.03 0.04 0.41 -0.75 4.32 4.05 1zmcH1 LYS 108 HB2 0.02 -0.04 0.13 -0.04 1.87 1.95 1zmcH1 LYS 108 HB3 -0.08 0.09 0.23 -0.04 1.79 1.99 1zmcH1 LYS 108 HG2 -0.11 0.05 -0.27 -0.04 1.46 1.09 1zmcH1 LYS 108 HG3 -0.02 -0.03 -0.01 -0.04 1.46 1.35 1zmcH1 LYS 108 HD2 -0.00 -0.03 0.00 -0.04 1.69 1.62 1zmcH1 LYS 108 HD3 -0.07 -0.01 0.01 -0.04 1.68 1.57 1zmcH1 LYS 108 HE2 -0.01 -0.01 -0.02 -0.04 2.99 2.90 1zmcH1 LYS 108 HE3 0.01 -0.04 -0.01 -0.04 2.99 2.91 1zmcH1 GLN 109 H -0.12 0.60 -0.17 -0.55 8.47 8.23 1zmcH1 GLN 109 HA -0.08 -0.01 0.38 -0.75 4.36 3.90 1zmcH1 GLN 109 HB2 -0.24 -0.04 0.12 -0.04 2.15 1.95 1zmcH1 GLN 109 HB3 -0.05 0.05 0.17 -0.04 2.02 2.14 1zmcH1 GLN 109 HG2 0.01 0.05 -0.19 -0.04 2.40 2.22 1zmcH1 GLN 109 HG3 -0.01 -0.04 0.06 -0.04 2.39 2.35 1zmcH1 GLN 109 HE21 0.06 -0.06 -0.03 -0.04 6.97 6.90 1zmcH1 GLN 109 HE22 0.04 0.04 -0.05 -0.04 7.69 7.68 1zmcH1 ASN 110 H 0.04 0.33 -0.47 -0.55 8.53 7.88 1zmcH1 ASN 110 HA 0.01 0.18 0.89 -0.75 4.76 5.09 1zmcH1 ASN 110 HB2 0.08 0.08 0.17 -0.04 2.88 3.17 1zmcH1 ASN 110 HB3 0.03 -0.06 0.15 -0.04 2.79 2.87 1zmcH1 ASN 110 HD21 0.07 -0.12 -0.03 -0.04 7.03 6.91 1zmcH1 ASN 110 HD22 0.10 0.47 0.10 -0.04 7.74 8.37 1zmcH1 LYS 111 H 0.00 0.41 -0.27 -0.55 8.42 8.01 1zmcH1 LYS 111 HA -0.01 0.01 0.29 -0.75 4.32 3.86 1zmcH1 LYS 111 HB2 -0.01 0.28 -0.27 -0.04 1.87 1.83 1zmcH1 LYS 111 HB3 -0.01 -0.09 0.28 -0.04 1.79 1.93 1zmcH1 LYS 111 HG2 -0.01 -0.03 -0.02 -0.04 1.46 1.36 1zmcH1 LYS 111 HG3 -0.00 -0.07 0.04 -0.04 1.46 1.39 1zmcH1 LYS 111 HD2 -0.01 0.15 -0.03 -0.04 1.69 1.76 1zmcH1 LYS 111 HD3 -0.01 0.06 -0.26 -0.04 1.68 1.43 1zmcH1 LYS 111 HE2 -0.00 -0.07 -0.00 -0.04 2.99 2.87 1zmcH1 LYS 111 HE3 -0.01 -0.00 -0.01 -0.04 2.99 2.93 1zmcH1 VAL 112 H -0.02 0.54 -0.12 -0.55 8.24 8.09 1zmcH1 VAL 112 HA -0.13 0.16 0.65 -0.75 4.13 4.05 1zmcH1 VAL 112 HB -0.35 -0.10 0.07 -0.04 2.12 1.70 1zmcH1 VAL 112 HG13 -0.89 -0.04 -0.36 -0.04 0.97 -0.37 1zmcH1 VAL 112 HG23 -0.15 0.00 -0.22 -0.04 0.95 0.54 1zmcH1 VAL 113 H -0.08 0.67 0.32 -0.55 8.24 8.60 1zmcH1 VAL 113 HA -0.00 0.05 0.46 -0.75 4.13 3.89 1zmcH1 VAL 113 HB -0.03 -0.10 0.22 -0.04 2.12 2.17 1zmcH1 VAL 113 HG13 -0.00 -0.02 -0.25 -0.04 0.97 0.66 1zmcH1 VAL 113 HG23 -0.02 0.06 0.04 -0.04 0.95 0.99 1zmcH1 HIS 114 H 0.10 0.19 0.14 -0.55 8.41 8.30 1zmcH1 HIS 114 HA -0.00 0.23 0.90 -0.75 4.63 5.00 1zmcH1 HIS 114 HB2 0.22 0.01 -0.04 -0.04 3.26 3.40 1zmcH1 HIS 114 HB3 0.09 -0.01 0.14 -0.04 3.20 3.37 1zmcH1 HIS 114 HD2 0.09 0.00 -0.05 -0.04 6.97 6.97 1zmcH1 HIS 114 HE1 0.06 0.01 -0.20 -0.04 7.75 7.57 1zmcH1 VAL 115 H 0.17 0.53 0.11 -0.55 8.24 8.50 1zmcH1 VAL 115 HA -0.09 0.17 0.86 -0.75 4.13 4.31 1zmcH1 VAL 115 HB 0.04 -0.07 -0.10 -0.04 2.12 1.95 1zmcH1 VAL 115 HG13 0.01 0.01 -0.30 -0.04 0.97 0.64 1zmcH1 VAL 115 HG23 0.00 0.01 -0.28 -0.04 0.95 0.64 1zmcH1 ASN 116 H -0.16 0.18 0.07 -0.55 8.53 8.07 1zmcH1 ASN 116 HA 0.09 0.19 0.83 -0.75 4.76 5.12 1zmcH1 ASN 116 HB2 -0.18 -0.01 -0.00 -0.04 2.88 2.64 1zmcH1 ASN 116 HB3 -0.08 -0.06 0.09 -0.04 2.79 2.70 1zmcH1 ASN 116 HD21 0.04 0.00 -0.09 -0.04 7.03 6.94 1zmcH1 ASN 116 HD22 0.01 -0.05 -0.04 -0.04 7.74 7.62 1zmcH1 GLY 117 H 0.07 0.66 0.12 -0.55 8.43 8.74 1zmcH1 GLY 117 HA2 0.08 -0.00 0.23 -0.51 4.01 3.81 1zmcH1 GLY 117 HA3 0.06 0.13 0.36 -0.51 4.01 4.06 1zmcH1 TYR 118 H 0.20 0.49 0.11 -0.55 8.29 8.54 1zmcH1 TYR 118 HA 0.06 -0.06 0.54 -0.75 4.56 4.35 1zmcH1 TYR 118 HB2 0.04 0.01 0.16 -0.04 3.06 3.24 1zmcH1 TYR 118 HB3 0.04 0.05 0.13 -0.04 2.98 3.15 1zmcH1 TYR 118 HD2 0.06 0.03 -0.10 -0.04 7.15 7.10 1zmcH1 TYR 118 HE2 0.10 0.10 -0.01 -0.04 6.85 7.00 1zmcH1 GLY 119 H -0.04 0.06 0.16 -0.55 8.43 8.06 1zmcH1 GLY 119 HA2 0.10 0.42 0.97 -0.51 4.01 4.99 1zmcH1 GLY 119 HA3 0.05 -0.07 0.20 -0.51 4.01 3.68 1zmcH1 LYS 120 H 0.08 0.52 0.33 -0.55 8.42 8.79 1zmcH1 LYS 120 HA 0.09 0.18 0.93 -0.75 4.32 4.76 1zmcH1 LYS 120 HB2 0.10 0.07 -0.16 -0.04 1.87 1.84 1zmcH1 LYS 120 HB3 0.05 -0.06 0.00 -0.04 1.79 1.74 1zmcH1 LYS 120 HG2 0.03 0.09 -0.45 -0.04 1.46 1.09 1zmcH1 LYS 120 HG3 0.05 -0.09 -0.48 -0.04 1.46 0.90 1zmcH1 LYS 120 HD2 0.02 0.05 -0.12 -0.04 1.69 1.60 1zmcH1 LYS 120 HD3 0.02 -0.01 -0.14 -0.04 1.68 1.51 1zmcH1 LYS 120 HE2 0.01 0.08 -0.12 -0.04 2.99 2.92 1zmcH1 LYS 120 HE3 0.01 -0.21 -0.19 -0.04 2.99 2.57 1zmcH1 ILE 121 H 0.04 0.68 0.24 -0.55 8.25 8.65 1zmcH1 ILE 121 HA 0.02 0.13 0.79 -0.75 4.18 4.37 1zmcH1 ILE 121 HB 0.02 0.02 0.20 -0.04 1.89 2.09 1zmcH1 ILE 121 HG12 0.02 0.03 -0.00 -0.04 1.49 1.50 1zmcH1 ILE 121 HG13 0.02 -0.04 0.05 -0.04 1.21 1.20 1zmcH1 ILE 121 HG23 0.01 0.02 -0.12 -0.04 0.93 0.80 1zmcH1 ILE 121 HD13 0.02 -0.02 -0.05 -0.04 0.88 0.79 1zmcH1 THR 122 H 0.02 0.26 0.13 -0.55 8.28 8.14 1zmcH1 THR 122 HA 0.01 0.12 0.60 -0.75 4.39 4.37 1zmcH1 THR 122 HB 0.01 -0.01 0.02 -0.04 4.32 4.30 1zmcH1 THR 122 HG23 0.02 0.04 -0.11 -0.04 1.22 1.13 1zmcH1 GLY 123 H 0.01 0.47 0.03 -0.55 8.43 8.40 1zmcH1 GLY 123 HA2 0.00 0.14 0.44 -0.51 4.01 4.07 1zmcH1 GLY 123 HA3 0.00 0.03 0.30 -0.51 4.01 3.84 1zmcH1 LYS 124 H -0.00 0.19 0.12 -0.55 8.42 8.18 1zmcH1 LYS 124 HA -0.00 0.07 0.29 -0.75 4.32 3.92 1zmcH1 LYS 124 HB2 -0.00 -0.01 0.09 -0.04 1.87 1.90 1zmcH1 LYS 124 HB3 -0.01 0.04 0.09 -0.04 1.79 1.88 1zmcH1 LYS 124 HG2 -0.01 0.03 0.07 -0.04 1.46 1.51 1zmcH1 LYS 124 HG3 -0.00 -0.03 0.11 -0.04 1.46 1.49 1zmcH1 LYS 124 HD2 -0.01 -0.01 0.04 -0.04 1.69 1.68 1zmcH1 LYS 124 HD3 -0.01 -0.01 0.04 -0.04 1.68 1.67 1zmcH1 LYS 124 HE2 -0.01 -0.01 0.03 -0.04 2.99 2.97 1zmcH1 LYS 124 HE3 -0.01 0.04 0.04 -0.04 2.99 3.02 1zmcH1 ASN 125 H 0.00 -0.08 -0.62 -0.55 8.53 7.29 1zmcH1 ASN 125 HA 0.00 0.29 0.79 -0.75 4.76 5.09 1zmcH1 ASN 125 HB2 0.00 -0.12 -0.02 -0.04 2.88 2.70 1zmcH1 ASN 125 HB3 0.00 0.12 0.20 -0.04 2.79 3.07 1zmcH1 ASN 125 HD21 -0.00 0.02 -0.15 -0.04 7.03 6.85 1zmcH1 ASN 125 HD22 -0.00 -0.19 -0.28 -0.04 7.74 7.23 1zmcH1 GLN 126 H 0.00 0.74 0.04 -0.55 8.47 8.71 1zmcH1 GLN 126 HA 0.01 0.39 1.15 -0.75 4.36 5.15 1zmcH1 GLN 126 HB2 0.00 -0.05 -0.19 -0.04 2.15 1.87 1zmcH1 GLN 126 HB3 0.01 -0.13 -0.10 -0.04 2.02 1.76 1zmcH1 GLN 126 HG2 0.01 -0.03 -0.13 -0.04 2.40 2.21 1zmcH1 GLN 126 HG3 0.01 0.11 -0.01 -0.04 2.39 2.45 1zmcH1 GLN 126 HE21 0.00 -0.00 -0.09 -0.04 6.97 6.84 1zmcH1 GLN 126 HE22 0.00 0.04 -0.11 -0.04 7.69 7.59 1zmcH1 VAL 127 H 0.01 0.65 0.36 -0.55 8.24 8.71 1zmcH1 VAL 127 HA 0.02 0.16 0.93 -0.75 4.13 4.49 1zmcH1 VAL 127 HB 0.01 -0.02 0.00 -0.04 2.12 2.07 1zmcH1 VAL 127 HG13 0.03 -0.01 -0.26 -0.04 0.97 0.68 1zmcH1 VAL 127 HG23 0.01 0.00 -0.27 -0.04 0.95 0.66 1zmcH1 THR 128 H 0.03 0.68 0.37 -0.55 8.28 8.81 1zmcH1 THR 128 HA 0.02 0.23 1.21 -0.75 4.39 5.09 1zmcH1 THR 128 HB 0.03 -0.00 0.10 -0.04 4.32 4.40 1zmcH1 THR 128 HG23 0.02 0.00 -0.21 -0.04 1.22 0.99 1zmcH1 ALA 129 H 0.03 0.80 0.34 -0.55 8.40 9.02 1zmcH1 ALA 129 HA 0.08 0.38 0.83 -0.75 4.34 4.88 1zmcH1 ALA 129 HB3 0.04 -0.03 -0.21 -0.04 1.41 1.17 1zmcH1 THR 130 H 0.10 0.72 0.21 -0.55 8.28 8.77 1zmcH1 THR 130 HA 0.03 0.36 1.08 -0.75 4.39 5.11 1zmcH1 THR 130 HB 0.05 -0.08 0.20 -0.04 4.32 4.44 1zmcH1 THR 130 HG23 0.01 0.08 -0.06 -0.04 1.22 1.21 1zmcH1 LYS 131 H 0.03 0.48 0.01 -0.55 8.42 8.39 1zmcH1 LYS 131 HA 0.04 0.04 0.41 -0.75 4.32 4.06 1zmcH1 LYS 131 HB2 0.02 -0.05 -0.01 -0.04 1.87 1.79 1zmcH1 LYS 131 HB3 0.02 -0.17 0.13 -0.04 1.79 1.73 1zmcH1 LYS 131 HG2 0.01 0.03 0.01 -0.04 1.46 1.46 1zmcH1 LYS 131 HG3 0.02 0.07 -0.04 -0.04 1.46 1.47 1zmcH1 LYS 131 HD2 0.01 0.07 -0.23 -0.04 1.69 1.49 1zmcH1 LYS 131 HD3 0.01 -0.08 -0.34 -0.04 1.68 1.22 1zmcH1 LYS 131 HE2 0.00 -0.09 -0.03 -0.04 2.99 2.83 1zmcH1 LYS 131 HE3 -0.01 0.03 -0.04 -0.04 2.99 2.94 1zmcH1 ALA 132 H 0.03 0.15 0.15 -0.55 8.40 8.18 1zmcH1 ALA 132 HA 0.03 0.18 0.56 -0.75 4.34 4.35 1zmcH1 ALA 132 HB3 0.02 0.01 0.10 -0.04 1.41 1.50 1zmcH1 ASP 133 H 0.01 0.05 -0.03 -0.55 8.40 7.88 1zmcH1 ASP 133 HA 0.01 0.14 0.45 -0.75 4.63 4.47 1zmcH1 ASP 133 HB2 0.00 0.06 0.12 -0.04 2.71 2.86 1zmcH1 ASP 133 HB3 0.01 0.04 0.11 -0.04 2.70 2.81 1zmcH1 GLY 134 H 0.01 0.18 -1.08 -0.55 8.43 6.99 1zmcH1 GLY 134 HA2 0.00 0.09 0.21 -0.51 4.01 3.80 1zmcH1 GLY 134 HA3 0.00 0.15 0.65 -0.51 4.01 4.30 1zmcH1 GLY 135 H 0.01 -0.09 -0.55 -0.55 8.43 7.25 1zmcH1 GLY 135 HA2 0.01 0.06 0.28 -0.51 4.01 3.84 1zmcH1 GLY 135 HA3 0.01 -0.02 0.24 -0.51 4.01 3.73 1zmcH1 THR 136 H 0.01 0.17 0.23 -0.55 8.28 8.13 1zmcH1 THR 136 HA 0.02 0.44 1.17 -0.75 4.39 5.26 1zmcH1 THR 136 HB 0.01 -0.06 0.05 -0.04 4.32 4.27 1zmcH1 THR 136 HG23 0.01 -0.01 -0.13 -0.04 1.22 1.04 1zmcH1 GLN 137 H 0.02 0.50 0.26 -0.55 8.47 8.70 1zmcH1 GLN 137 HA 0.01 0.12 0.72 -0.75 4.36 4.45 1zmcH1 GLN 137 HB2 0.00 0.06 -0.14 -0.04 2.15 2.03 1zmcH1 GLN 137 HB3 0.01 -0.03 0.03 -0.04 2.02 1.98 1zmcH1 GLN 137 HG2 -0.00 -0.02 -0.09 -0.04 2.40 2.24 1zmcH1 GLN 137 HG3 0.00 -0.03 -0.27 -0.04 2.39 2.05 1zmcH1 GLN 137 HE21 -0.00 0.07 -0.00 -0.04 6.97 6.99 1zmcH1 GLN 137 HE22 -0.01 -0.04 -0.02 -0.04 7.69 7.58 1zmcH1 VAL 138 H 0.01 0.20 0.19 -0.55 8.24 8.09 1zmcH1 VAL 138 HA 0.01 0.25 1.27 -0.75 4.13 4.90 1zmcH1 VAL 138 HB 0.01 0.06 0.01 -0.04 2.12 2.16 1zmcH1 VAL 138 HG13 0.01 -0.02 -0.09 -0.04 0.97 0.83 1zmcH1 VAL 138 HG23 0.01 0.00 -0.01 -0.04 0.95 0.91 1zmcH1 ILE 139 H 0.01 0.72 0.38 -0.55 8.25 8.82 1zmcH1 ILE 139 HA 0.00 0.44 0.98 -0.75 4.18 4.85 1zmcH1 ILE 139 HB 0.01 -0.05 0.03 -0.04 1.89 1.84 1zmcH1 ILE 139 HG12 0.00 -0.03 -0.24 -0.04 1.49 1.18 1zmcH1 ILE 139 HG13 0.00 0.07 -0.34 -0.04 1.21 0.90 1zmcH1 ILE 139 HG23 -0.00 -0.01 -0.35 -0.04 0.93 0.52 1zmcH1 ILE 139 HD13 0.01 -0.06 -0.35 -0.04 0.88 0.44 1zmcH1 ASP 140 H 0.00 0.55 0.42 -0.55 8.40 8.83 1zmcH1 ASP 140 HA 0.00 0.22 0.93 -0.75 4.63 5.03 1zmcH1 ASP 140 HB2 0.00 -0.04 0.19 -0.04 2.71 2.83 1zmcH1 ASP 140 HB3 0.00 0.04 0.04 -0.04 2.70 2.74 1zmcH1 THR 141 H -0.00 0.64 0.16 -0.55 8.28 8.53 1zmcH1 THR 141 HA -0.01 0.40 1.07 -0.75 4.39 5.10 1zmcH1 THR 141 HB -0.01 -0.15 -0.38 -0.04 4.32 3.73 1zmcH1 THR 141 HG23 -0.01 -0.01 -0.30 -0.04 1.22 0.86 1zmcH1 LYS 142 H -0.03 0.34 0.28 -0.55 8.42 8.46 1zmcH1 LYS 142 HA -0.00 0.02 0.63 -0.75 4.32 4.21 1zmcH1 LYS 142 HB2 -0.05 0.23 0.32 -0.04 1.87 2.32 1zmcH1 LYS 142 HB3 -0.01 -0.04 0.13 -0.04 1.79 1.83 1zmcH1 LYS 142 HG2 0.01 -0.04 0.07 -0.04 1.46 1.45 1zmcH1 LYS 142 HG3 -0.00 0.08 0.20 -0.04 1.46 1.70 1zmcH1 LYS 142 HD2 0.01 -0.08 0.16 -0.04 1.69 1.75 1zmcH1 LYS 142 HD3 0.02 0.01 0.07 -0.04 1.68 1.74 1zmcH1 LYS 142 HE2 0.02 0.01 -0.02 -0.04 2.99 2.96 1zmcH1 LYS 142 HE3 0.04 -0.02 0.01 -0.04 2.99 2.99 1zmcH1 ASN 143 H -0.06 0.33 0.17 -0.55 8.53 8.41 1zmcH1 ASN 143 HA 0.04 0.39 1.07 -0.75 4.76 5.51 1zmcH1 ASN 143 HB2 -0.17 -0.08 0.14 -0.04 2.88 2.73 1zmcH1 ASN 143 HB3 0.02 0.01 0.03 -0.04 2.79 2.81 1zmcH1 ASN 143 HD21 -0.11 0.01 -0.06 -0.04 7.03 6.83 1zmcH1 ASN 143 HD22 -0.32 0.00 -0.05 -0.04 7.74 7.33 1zmcH1 ILE 144 H 0.08 0.74 0.42 -0.55 8.25 8.95 1zmcH1 ILE 144 HA 0.01 0.16 0.98 -0.75 4.18 4.57 1zmcH1 ILE 144 HB 0.04 -0.03 0.15 -0.04 1.89 2.01 1zmcH1 ILE 144 HG12 0.01 -0.02 -0.27 -0.04 1.49 1.16 1zmcH1 ILE 144 HG13 0.01 0.10 -0.31 -0.04 1.21 0.97 1zmcH1 ILE 144 HG23 0.02 -0.03 -0.12 -0.04 0.93 0.76 1zmcH1 ILE 144 HD13 0.01 -0.03 -0.18 -0.04 0.88 0.64 1zmcH1 LEU 145 H 0.01 0.77 0.31 -0.55 8.37 8.92 1zmcH1 LEU 145 HA 0.10 0.19 0.94 -0.75 4.35 4.83 1zmcH1 LEU 145 HB2 -0.06 0.07 -0.16 -0.04 1.64 1.45 1zmcH1 LEU 145 HB3 -0.03 -0.05 0.03 -0.04 1.64 1.55 1zmcH1 LEU 145 HG -0.03 -0.13 -0.37 -0.04 1.64 1.07 1zmcH1 LEU 145 HD13 0.00 0.04 -0.27 -0.04 0.93 0.66 1zmcH1 LEU 145 HD23 -0.10 -0.00 -0.14 -0.04 0.89 0.60 1zmcH1 ILE 146 H 0.07 1.11 0.35 -0.55 8.25 9.24 1zmcH1 ILE 146 HA 0.03 0.05 0.87 -0.75 4.18 4.37 1zmcH1 ILE 146 HB 0.05 0.05 0.34 -0.04 1.89 2.29 1zmcH1 ILE 146 HG12 0.03 -0.03 0.01 -0.04 1.49 1.46 1zmcH1 ILE 146 HG13 0.04 0.08 -0.03 -0.04 1.21 1.26 1zmcH1 ILE 146 HG23 0.03 -0.05 -0.01 -0.04 0.93 0.86 1zmcH1 ILE 146 HD13 0.02 -0.00 -0.05 -0.04 0.88 0.81 1zmcH1 ALA 147 H 0.02 0.58 0.27 -0.55 8.40 8.72 1zmcH1 ALA 147 HA 0.01 0.23 0.80 -0.75 4.34 4.62 1zmcH1 ALA 147 HB3 -0.01 -0.02 -0.07 -0.04 1.41 1.27 1zmcH1 THR 148 H 0.04 0.22 0.05 -0.55 8.28 8.04 1zmcH1 THR 148 HA 0.04 0.06 0.59 -0.75 4.39 4.32 1zmcH1 THR 148 HB 0.21 0.02 0.16 -0.04 4.32 4.67 1zmcH1 THR 148 HG23 0.03 -0.02 0.07 -0.04 1.22 1.27 1zmcH1 GLY 149 H 0.03 -0.00 -0.40 -0.55 8.43 7.51 1zmcH1 GLY 149 HA2 0.02 -0.18 0.33 -0.51 4.01 3.67 1zmcH1 GLY 149 HA3 0.01 -0.04 0.44 -0.51 4.01 3.91 1zmcH1 SER 150 H -0.01 0.10 0.28 -0.55 8.46 8.29 1zmcH1 SER 150 HA 0.13 0.21 0.84 -0.75 4.49 4.91 1zmcH1 SER 150 HB2 0.04 0.09 0.03 -0.04 3.95 4.07 1zmcH1 SER 150 HB3 0.04 0.07 -0.37 -0.04 3.93 3.63 1zmcH1 GLU 151 H 0.08 0.58 0.34 -0.55 8.60 9.05 1zmcH1 GLU 151 HA -0.04 0.07 0.75 -0.75 4.29 4.32 1zmcH1 GLU 151 HB2 0.01 -0.06 0.18 -0.04 2.09 2.19 1zmcH1 GLU 151 HB3 -0.09 0.02 -0.04 -0.04 1.99 1.84 1zmcH1 GLU 151 HG2 0.23 0.04 -0.08 -0.04 2.34 2.49 1zmcH1 GLU 151 HG3 0.12 0.20 -0.24 -0.04 2.34 2.38 1zmcH1 VAL 152 H 0.02 0.10 0.18 -0.55 8.24 7.98 1zmcH1 VAL 152 HA 0.04 0.06 0.61 -0.75 4.13 4.08 1zmcH1 VAL 152 HB 0.03 0.01 0.12 -0.04 2.12 2.24 1zmcH1 VAL 152 HG13 0.05 0.02 -0.13 -0.04 0.97 0.86 1zmcH1 VAL 152 HG23 0.02 -0.04 0.11 -0.04 0.95 1.00 1zmcH1 THR 153 H 0.05 0.42 0.27 -0.55 8.28 8.48 1zmcH1 THR 153 HA 0.04 0.15 0.60 -0.75 4.39 4.42 1zmcH1 THR 153 HB 0.04 -0.07 -0.12 -0.04 4.32 4.13 1zmcH1 THR 153 HG23 0.00 0.05 -0.13 -0.04 1.22 1.10 1zmcH1 PRO 154 HA 0.08 0.01 0.52 -0.51 4.44 4.54 1zmcH1 PRO 154 HB2 0.06 0.07 -0.07 -0.04 2.28 2.29 1zmcH1 PRO 154 HB3 0.05 -0.01 0.03 -0.04 2.02 2.05 1zmcH1 PRO 154 HG2 0.02 0.04 0.02 -0.04 2.03 2.06 1zmcH1 PRO 154 HG3 0.03 0.03 0.04 -0.04 2.03 2.10 1zmcH1 PRO 154 HD2 0.02 0.09 0.19 -0.04 3.68 3.93 1zmcH1 PRO 154 HD3 0.05 0.22 0.22 -0.04 3.65 4.09 1zmcH1 PHE 155 H 0.19 0.12 0.09 -0.55 8.34 8.20 1zmcH1 PHE 155 HA -0.00 0.20 0.77 -0.75 4.62 4.84 1zmcH1 PHE 155 HB2 0.01 -0.07 0.06 -0.04 3.15 3.10 1zmcH1 PHE 155 HB3 0.01 -0.06 0.16 -0.04 3.06 3.13 1zmcH1 PHE 155 HD2 0.00 -0.11 -0.26 -0.04 7.28 6.88 1zmcH1 PHE 155 HE2 -0.00 0.05 -0.01 -0.04 7.38 7.38 1zmcH1 PHE 155 HZ -0.00 0.33 -0.06 -0.04 7.32 7.55 1zmcH1 PRO 156 HA 0.06 -0.02 0.41 -0.51 4.44 4.38 1zmcH1 PRO 156 HB2 -0.01 0.04 0.01 -0.04 2.28 2.27 1zmcH1 PRO 156 HB3 -0.02 0.02 0.09 -0.04 2.02 2.06 1zmcH1 PRO 156 HG2 -0.22 0.04 0.13 -0.04 2.03 1.94 1zmcH1 PRO 156 HG3 -0.15 0.04 0.09 -0.04 2.03 1.97 1zmcH1 PRO 156 HD2 -0.42 0.06 0.26 -0.04 3.68 3.54 1zmcH1 PRO 156 HD3 -0.11 0.21 0.10 -0.04 3.65 3.81 1zmcH1 GLY 157 H 0.09 0.14 0.07 -0.55 8.43 8.18 1zmcH1 GLY 157 HA2 0.07 -0.02 0.39 -0.51 4.01 3.94 1zmcH1 GLY 157 HA3 0.14 0.20 0.87 -0.51 4.01 4.71 1zmcH1 ILE 158 H 0.24 0.37 -0.29 -0.55 8.25 8.02 1zmcH1 ILE 158 HA -0.01 0.09 0.62 -0.75 4.18 4.13 1zmcH1 ILE 158 HB -0.01 0.04 0.08 -0.04 1.89 1.96 1zmcH1 ILE 158 HG12 -0.17 -0.01 -0.01 -0.04 1.49 1.26 1zmcH1 ILE 158 HG13 -0.17 0.07 -0.04 -0.04 1.21 1.02 1zmcH1 ILE 158 HG23 -0.09 -0.02 -0.16 -0.04 0.93 0.62 1zmcH1 ILE 158 HD13 -0.84 -0.02 -0.15 -0.04 0.88 -0.18 1zmcH1 THR 159 H 0.00 0.21 0.19 -0.55 8.28 8.13 1zmcH1 THR 159 HA 0.04 0.18 1.04 -0.75 4.39 4.90 1zmcH1 THR 159 HB 0.01 -0.02 0.08 -0.04 4.32 4.34 1zmcH1 THR 159 HG23 0.02 0.02 -0.06 -0.04 1.22 1.16 1zmcH1 ILE 160 H 0.03 0.16 0.10 -0.55 8.25 7.99 1zmcH1 ILE 160 HA -0.00 0.17 0.71 -0.75 4.18 4.30 1zmcH1 ILE 160 HB 0.02 0.01 0.12 -0.04 1.89 2.01 1zmcH1 ILE 160 HG12 0.01 0.07 -0.24 -0.04 1.49 1.29 1zmcH1 ILE 160 HG13 0.03 -0.02 -0.15 -0.04 1.21 1.03 1zmcH1 ILE 160 HG23 0.01 0.01 -0.08 -0.04 0.93 0.83 1zmcH1 ILE 160 HD13 0.04 -0.02 -0.06 -0.04 0.88 0.80 1zmcH1 ASP 161 H -0.01 0.25 0.39 -0.55 8.40 8.48 1zmcH1 ASP 161 HA -0.00 0.26 0.89 -0.75 4.63 5.02 1zmcH1 ASP 161 HB2 -0.01 0.05 0.15 -0.04 2.71 2.86 1zmcH1 ASP 161 HB3 -0.01 0.09 0.04 -0.04 2.70 2.78 1zmcH1 GLU 162 H -0.01 0.31 0.16 -0.55 8.60 8.51 1zmcH1 GLU 162 HA -0.02 -0.13 0.27 -0.75 4.29 3.66 1zmcH1 GLU 162 HB2 -0.01 0.29 -0.06 -0.04 2.09 2.27 1zmcH1 GLU 162 HB3 -0.01 0.01 0.18 -0.04 1.99 2.13 1zmcH1 GLU 162 HG2 0.00 -0.01 -0.30 -0.04 2.34 1.99 1zmcH1 GLU 162 HG3 0.00 0.08 -0.12 -0.04 2.34 2.27 1zmcH1 ASP 163 H -0.03 -0.18 -0.39 -0.55 8.40 7.25 1zmcH1 ASP 163 HA -0.04 0.27 0.83 -0.75 4.63 4.93 1zmcH1 ASP 163 HB2 -0.03 0.13 -0.04 -0.04 2.71 2.73 1zmcH1 ASP 163 HB3 -0.03 -0.18 0.09 -0.04 2.70 2.55 1zmcH1 THR 164 H -0.05 -0.02 0.15 -0.55 8.28 7.82 1zmcH1 THR 164 HA -0.09 0.31 1.04 -0.75 4.39 4.90 1zmcH1 THR 164 HB -0.06 0.15 0.17 -0.04 4.32 4.54 1zmcH1 THR 164 HG23 -0.06 0.03 -0.01 -0.04 1.22 1.14 1zmcH1 ILE 165 H -0.04 -0.12 0.10 -0.55 8.25 7.63 1zmcH1 ILE 165 HA -0.05 0.34 0.99 -0.75 4.18 4.71 1zmcH1 ILE 165 HB -0.03 -0.10 0.34 -0.04 1.89 2.06 1zmcH1 ILE 165 HG12 -0.05 0.08 -0.08 -0.04 1.49 1.39 1zmcH1 ILE 165 HG13 -0.04 -0.08 -0.18 -0.04 1.21 0.87 1zmcH1 ILE 165 HG23 -0.04 -0.00 -0.11 -0.04 0.93 0.74 1zmcH1 ILE 165 HD13 -0.04 0.01 -0.04 -0.04 0.88 0.77 1zmcH1 VAL 166 H -0.05 0.65 0.10 -0.55 8.24 8.39 1zmcH1 VAL 166 HA -0.02 -0.00 0.97 -0.75 4.13 4.32 1zmcH1 VAL 166 HB -0.02 -0.16 0.08 -0.04 2.12 1.98 1zmcH1 VAL 166 HG13 -0.06 -0.01 -0.56 -0.04 0.97 0.30 1zmcH1 VAL 166 HG23 -0.05 0.05 -0.30 -0.04 0.95 0.61 1zmcH1 SER 167 H 0.01 0.01 0.23 -0.55 8.46 8.16 1zmcH1 SER 167 HA 0.03 0.43 0.80 -0.75 4.49 5.00 1zmcH1 SER 167 HB2 0.03 0.04 0.22 -0.04 3.95 4.20 1zmcH1 SER 167 HB3 0.02 0.09 0.08 -0.04 3.93 4.08 1zmcH1 SER 168 H 0.04 0.22 0.15 -0.55 8.46 8.32 1zmcH1 SER 168 HA 0.07 0.11 0.28 -0.75 4.49 4.20 1zmcH1 SER 168 HB2 0.05 0.12 -0.00 -0.04 3.95 4.08 1zmcH1 SER 168 HB3 0.06 -0.01 0.07 -0.04 3.93 4.01 1zmcH1 THR 169 H 0.03 -0.00 -0.25 -0.55 8.28 7.50 1zmcH1 THR 169 HA 0.02 0.17 0.39 -0.75 4.39 4.22 1zmcH1 THR 169 HB 0.01 -0.12 0.07 -0.04 4.32 4.24 1zmcH1 THR 169 HG23 0.00 0.04 -0.09 -0.04 1.22 1.13 1zmcH1 GLY 170 H 0.02 -0.09 -0.11 -0.55 8.43 7.71 1zmcH1 GLY 170 HA2 0.01 0.20 0.40 -0.51 4.01 4.11 1zmcH1 GLY 170 HA3 -0.00 -0.09 0.29 -0.51 4.01 3.70 1zmcH1 ALA 171 H 0.04 0.45 -0.25 -0.55 8.40 8.09 1zmcH1 ALA 171 HA -0.01 0.06 0.31 -0.75 4.34 3.95 1zmcH1 ALA 171 HB3 0.12 -0.01 -0.07 -0.04 1.41 1.41 1zmcH1 LEU 172 H 0.10 0.30 -0.62 -0.55 8.37 7.60 1zmcH1 LEU 172 HA 0.18 0.07 0.54 -0.75 4.35 4.39 1zmcH1 LEU 172 HB2 0.06 0.17 0.13 -0.04 1.64 1.95 1zmcH1 LEU 172 HB3 0.05 -0.06 0.04 -0.04 1.64 1.64 1zmcH1 LEU 172 HG 0.08 0.10 -0.05 -0.04 1.64 1.73 1zmcH1 LEU 172 HD13 0.02 -0.06 -0.20 -0.04 0.93 0.66 1zmcH1 LEU 172 HD23 0.03 -0.03 -0.16 -0.04 0.89 0.69 1zmcH1 SER 173 H 0.12 0.33 -0.44 -0.55 8.46 7.92 1zmcH1 SER 173 HA 0.12 0.16 0.69 -0.75 4.49 4.70 1zmcH1 SER 173 HB2 0.03 0.01 0.04 -0.04 3.95 4.00 1zmcH1 SER 173 HB3 0.04 -0.03 0.16 -0.04 3.93 4.05 1zmcH1 LEU 174 H 0.20 0.13 -0.13 -0.55 8.37 8.03 1zmcH1 LEU 174 HA -0.09 0.04 0.44 -0.75 4.35 3.98 1zmcH1 LEU 174 HB2 -0.55 -0.00 0.00 -0.04 1.64 1.05 1zmcH1 LEU 174 HB3 -0.44 0.04 0.05 -0.04 1.64 1.25 1zmcH1 LEU 174 HG -0.25 0.05 0.07 -0.04 1.64 1.47 1zmcH1 LEU 174 HD13 -1.56 -0.01 -0.01 -0.04 0.93 -0.69 1zmcH1 LEU 174 HD23 -0.23 -0.01 -0.08 -0.04 0.89 0.54 1zmcH1 LYS 175 H -0.08 0.11 0.20 -0.55 8.42 8.10 1zmcH1 LYS 175 HA 0.01 0.13 0.43 -0.75 4.32 4.13 1zmcH1 LYS 175 HB2 -0.05 -0.02 0.08 -0.04 1.87 1.85 1zmcH1 LYS 175 HB3 -0.02 -0.03 0.11 -0.04 1.79 1.80 1zmcH1 LYS 175 HG2 -0.03 0.01 0.12 -0.04 1.46 1.52 1zmcH1 LYS 175 HG3 -0.02 -0.03 0.06 -0.04 1.46 1.42 1zmcH1 LYS 175 HD2 0.00 0.16 -0.13 -0.04 1.69 1.67 1zmcH1 LYS 175 HD3 -0.01 -0.00 0.03 -0.04 1.68 1.65 1zmcH1 LYS 175 HE2 -0.01 -0.04 0.03 -0.04 2.99 2.93 1zmcH1 LYS 175 HE3 -0.00 -0.02 0.06 -0.04 2.99 2.99 1zmcH1 LYS 176 H -0.13 0.22 -0.23 -0.55 8.42 7.73 1zmcH1 LYS 176 HA 0.01 0.06 0.40 -0.75 4.32 4.04 1zmcH1 LYS 176 HB2 -0.03 -0.00 0.05 -0.04 1.87 1.84 1zmcH1 LYS 176 HB3 -0.03 0.11 -0.23 -0.04 1.79 1.60 1zmcH1 LYS 176 HG2 -0.08 -0.09 -0.21 -0.04 1.46 1.03 1zmcH1 LYS 176 HG3 -0.11 0.03 -0.54 -0.04 1.46 0.80 1zmcH1 LYS 176 HD2 -0.05 0.06 -0.11 -0.04 1.69 1.55 1zmcH1 LYS 176 HD3 -0.04 -0.01 -0.10 -0.04 1.68 1.48 1zmcH1 LYS 176 HE2 -0.07 -0.02 -0.08 -0.04 2.99 2.78 1zmcH1 LYS 176 HE3 -0.08 -0.03 -0.12 -0.04 2.99 2.72 1zmcH1 VAL 177 H 0.02 0.12 0.05 -0.55 8.24 7.87 1zmcH1 VAL 177 HA -0.08 0.09 0.43 -0.75 4.13 3.82 1zmcH1 VAL 177 HB 0.02 -0.05 0.09 -0.04 2.12 2.14 1zmcH1 VAL 177 HG13 0.09 0.10 -0.31 -0.04 0.97 0.81 1zmcH1 VAL 177 HG23 0.20 0.03 0.02 -0.04 0.95 1.15 1zmcH1 PRO 178 HA -0.15 0.01 0.36 -0.51 4.44 4.16 1zmcH1 PRO 178 HB2 -0.17 -0.00 -0.12 -0.04 2.28 1.95 1zmcH1 PRO 178 HB3 -0.26 0.03 0.03 -0.04 2.02 1.77 1zmcH1 PRO 178 HG2 -0.21 0.03 -0.18 -0.04 2.03 1.63 1zmcH1 PRO 178 HG3 -0.46 -0.01 -0.05 -0.04 2.03 1.46 1zmcH1 PRO 178 HD2 -0.45 0.06 0.15 -0.04 3.68 3.41 1zmcH1 PRO 178 HD3 -0.78 0.19 0.21 -0.04 3.65 3.22 1zmcH1 GLU 179 H -0.08 0.05 0.18 -0.55 8.60 8.20 1zmcH1 GLU 179 HA -0.04 0.22 0.53 -0.75 4.29 4.24 1zmcH1 GLU 179 HB2 -0.04 0.03 0.15 -0.04 2.09 2.19 1zmcH1 GLU 179 HB3 -0.05 -0.12 0.20 -0.04 1.99 1.98 1zmcH1 GLU 179 HG2 -0.03 -0.02 -0.11 -0.04 2.34 2.14 1zmcH1 GLU 179 HG3 -0.02 0.08 0.09 -0.04 2.34 2.45 1zmcH1 LYS 180 H -0.07 0.01 0.16 -0.55 8.42 7.97 1zmcH1 LYS 180 HA -0.06 0.33 1.04 -0.75 4.32 4.87 1zmcH1 LYS 180 HB2 -0.04 0.05 -0.03 -0.04 1.87 1.81 1zmcH1 LYS 180 HB3 -0.05 -0.20 0.19 -0.04 1.79 1.69 1zmcH1 LYS 180 HG2 -0.05 -0.06 -0.02 -0.04 1.46 1.29 1zmcH1 LYS 180 HG3 -0.05 0.16 0.10 -0.04 1.46 1.63 1zmcH1 LYS 180 HD2 -0.03 0.00 0.03 -0.04 1.69 1.65 1zmcH1 LYS 180 HD3 -0.03 -0.06 0.05 -0.04 1.68 1.59 1zmcH1 LYS 180 HE2 -0.02 -0.09 0.05 -0.04 2.99 2.89 1zmcH1 LYS 180 HE3 -0.03 0.62 0.18 -0.04 2.99 3.72 1zmcH1 MET 181 H -0.08 1.05 0.39 -0.55 8.47 9.28 1zmcH1 MET 181 HA -0.10 0.14 1.05 -0.75 4.52 4.85 1zmcH1 MET 181 HB2 -0.16 -0.02 -0.19 -0.04 2.15 1.74 1zmcH1 MET 181 HB3 -0.10 0.03 -0.08 -0.04 2.03 1.84 1zmcH1 MET 181 HG2 -0.08 -0.05 -0.36 -0.04 2.63 2.10 1zmcH1 MET 181 HG3 -0.13 0.08 -0.07 -0.04 2.56 2.40 1zmcH1 MET 181 HE3 0.06 -0.00 -0.25 -0.04 2.10 1.87 1zmcH1 VAL 182 H -0.07 0.54 0.33 -0.55 8.24 8.50 1zmcH1 VAL 182 HA -0.03 0.37 1.06 -0.75 4.13 4.78 1zmcH1 VAL 182 HB -0.04 -0.05 0.04 -0.04 2.12 2.03 1zmcH1 VAL 182 HG13 -0.02 -0.02 -0.25 -0.04 0.97 0.65 1zmcH1 VAL 182 HG23 -0.03 0.00 -0.23 -0.04 0.95 0.65 1zmcH1 VAL 183 H 0.02 0.68 0.36 -0.55 8.24 8.75 1zmcH1 VAL 183 HA 0.03 0.20 1.03 -0.75 4.13 4.64 1zmcH1 VAL 183 HB 0.13 -0.08 0.09 -0.04 2.12 2.21 1zmcH1 VAL 183 HG13 0.13 0.01 -0.17 -0.04 0.97 0.90 1zmcH1 VAL 183 HG23 0.06 0.01 -0.18 -0.04 0.95 0.80 1zmcH1 ILE 184 H 0.03 0.59 0.26 -0.55 8.25 8.58 1zmcH1 ILE 184 HA 0.06 0.15 0.76 -0.75 4.18 4.39 1zmcH1 ILE 184 HB 0.06 -0.22 0.27 -0.04 1.89 1.96 1zmcH1 ILE 184 HG12 -0.06 0.04 -0.07 -0.04 1.49 1.37 1zmcH1 ILE 184 HG13 -0.05 0.02 -0.11 -0.04 1.21 1.04 1zmcH1 ILE 184 HG23 0.13 0.01 -0.04 -0.04 0.93 0.99 1zmcH1 ILE 184 HD13 -0.30 -0.00 -0.09 -0.04 0.88 0.45 1zmcH1 GLY 185 H 0.11 0.68 0.20 -0.55 8.43 8.88 1zmcH1 GLY 185 HA2 0.11 -0.12 0.46 -0.51 4.01 3.95 1zmcH1 GLY 185 HA3 0.11 0.34 0.81 -0.51 4.01 4.76 1zmcH1 ALA 186 H 0.09 0.10 0.07 -0.55 8.40 8.11 1zmcH1 ALA 186 HA 0.18 0.29 0.71 -0.75 4.34 4.77 1zmcH1 ALA 186 HB3 0.10 0.03 -0.00 -0.04 1.41 1.50 1zmcH1 GLY 187 H 0.11 0.20 -0.35 -0.55 8.43 7.85 1zmcH1 GLY 187 HA2 0.10 0.04 0.45 -0.51 4.01 4.09 1zmcH1 GLY 187 HA3 0.11 0.07 0.28 -0.51 4.01 3.95 1zmcH1 VAL 188 H 0.15 0.22 -0.01 -0.55 8.24 8.04 1zmcH1 VAL 188 HA 0.20 0.12 0.33 -0.75 4.13 4.02 1zmcH1 VAL 188 HB 0.12 -0.04 0.11 -0.04 2.12 2.27 1zmcH1 VAL 188 HG13 0.13 0.02 -0.07 -0.04 0.97 1.00 1zmcH1 VAL 188 HG23 0.20 0.05 0.00 -0.04 0.95 1.15 1zmcH1 ILE 189 H 0.12 0.08 -0.14 -0.55 8.25 7.76 1zmcH1 ILE 189 HA 0.12 0.11 0.37 -0.75 4.18 4.02 1zmcH1 ILE 189 HB 0.09 -0.03 0.04 -0.04 1.89 1.96 1zmcH1 ILE 189 HG12 0.07 0.05 0.00 -0.04 1.49 1.58 1zmcH1 ILE 189 HG13 0.08 -0.08 0.03 -0.04 1.21 1.20 1zmcH1 ILE 189 HG23 0.09 0.03 -0.15 -0.04 0.93 0.85 1zmcH1 ILE 189 HD13 0.06 0.01 -0.01 -0.04 0.88 0.90 1zmcH1 GLY 190 H 0.14 0.02 -0.35 -0.55 8.43 7.70 1zmcH1 GLY 190 HA2 0.16 0.06 0.33 -0.51 4.01 4.05 1zmcH1 GLY 190 HA3 0.17 0.28 0.23 -0.51 4.01 4.17 1zmcH1 VAL 191 H 0.21 0.35 -0.35 -0.55 8.24 7.90 1zmcH1 VAL 191 HA 0.40 0.12 0.42 -0.75 4.13 4.30 1zmcH1 VAL 191 HB 0.28 -0.01 0.03 -0.04 2.12 2.38 1zmcH1 VAL 191 HG13 0.23 0.01 -0.18 -0.04 0.97 0.98 1zmcH1 VAL 191 HG23 0.18 0.07 -0.13 -0.04 0.95 1.03 1zmcH1 GLU 192 H 0.22 0.45 -0.10 -0.55 8.60 8.63 1zmcH1 GLU 192 HA 0.20 0.05 0.34 -0.75 4.29 4.13 1zmcH1 GLU 192 HB2 0.13 0.03 0.10 -0.04 2.09 2.32 1zmcH1 GLU 192 HB3 0.11 0.06 -0.07 -0.04 1.99 2.05 1zmcH1 GLU 192 HG2 0.20 -0.06 -0.09 -0.04 2.34 2.36 1zmcH1 GLU 192 HG3 0.19 0.17 0.09 -0.04 2.34 2.75 1zmcH1 LEU 193 H 0.15 0.49 -0.13 -0.55 8.37 8.34 1zmcH1 LEU 193 HA 0.07 0.05 0.28 -0.75 4.35 4.00 1zmcH1 LEU 193 HB2 0.16 0.02 0.01 -0.04 1.64 1.80 1zmcH1 LEU 193 HB3 0.24 0.02 -0.09 -0.04 1.64 1.77 1zmcH1 LEU 193 HG 0.11 0.03 0.04 -0.04 1.64 1.78 1zmcH1 LEU 193 HD13 0.11 -0.03 -0.09 -0.04 0.93 0.88 1zmcH1 LEU 193 HD23 0.11 0.02 -0.12 -0.04 0.89 0.86 1zmcH1 GLY 194 H 0.23 0.44 -0.42 -0.55 8.43 8.13 1zmcH1 GLY 194 HA2 -0.03 -0.01 0.28 -0.51 4.01 3.74 1zmcH1 GLY 194 HA3 0.02 0.07 0.23 -0.51 4.01 3.82 1zmcH1 SER 195 H 0.27 0.63 -0.14 -0.55 8.46 8.67 1zmcH1 SER 195 HA -0.10 0.04 0.35 -0.75 4.49 4.03 1zmcH1 SER 195 HB2 0.39 -0.02 0.07 -0.04 3.95 4.35 1zmcH1 SER 195 HB3 0.18 0.04 0.07 -0.04 3.93 4.17 1zmcH1 VAL 196 H -0.03 0.49 -0.24 -0.55 8.24 7.92 1zmcH1 VAL 196 HA -0.16 0.02 0.39 -0.75 4.13 3.63 1zmcH1 VAL 196 HB -0.28 0.09 0.11 -0.04 2.12 1.99 1zmcH1 VAL 196 HG13 -0.93 -0.00 -0.19 -0.04 0.97 -0.19 1zmcH1 VAL 196 HG23 -0.14 0.01 -0.17 -0.04 0.95 0.61 1zmcH1 TRP 197 H -0.10 0.48 -0.12 -0.55 7.97 7.68 1zmcH1 TRP 197 HA -0.08 0.02 0.37 -0.75 4.62 4.17 1zmcH1 TRP 197 HB2 -0.12 0.08 0.02 -0.04 3.23 3.17 1zmcH1 TRP 197 HB3 -0.10 -0.03 -0.05 -0.04 3.23 3.01 1zmcH1 TRP 197 HD1 -0.05 0.07 -0.05 -0.04 7.22 7.15 1zmcH1 TRP 197 HE1 -0.03 0.26 0.06 -0.04 10.20 10.45 1zmcH1 TRP 197 HE3 -0.08 -0.01 -0.02 -0.04 7.59 7.44 1zmcH1 TRP 197 HZ2 -0.04 0.02 -0.06 -0.04 7.44 7.32 1zmcH1 TRP 197 HZ3 -0.08 -0.06 -0.19 -0.04 7.13 6.75 1zmcH1 TRP 197 HH2 -0.05 0.08 -0.17 -0.04 7.19 7.01 1zmcH1 GLN 198 H -0.07 0.45 -0.25 -0.55 8.47 8.05 1zmcH1 GLN 198 HA -0.07 0.27 0.43 -0.75 4.36 4.23 1zmcH1 GLN 198 HB2 -0.37 -0.04 0.02 -0.04 2.15 1.73 1zmcH1 GLN 198 HB3 -0.16 0.02 0.10 -0.04 2.02 1.94 1zmcH1 GLN 198 HG2 -0.12 0.11 0.00 -0.04 2.40 2.36 1zmcH1 GLN 198 HG3 -0.16 -0.13 -0.25 -0.04 2.39 1.81 1zmcH1 GLN 198 HE21 -0.06 0.06 0.03 -0.04 6.97 6.96 1zmcH1 GLN 198 HE22 -0.04 -0.03 0.01 -0.04 7.69 7.58 1zmcH1 ARG 199 H -0.08 0.55 -0.17 -0.55 8.46 8.21 1zmcH1 ARG 199 HA -0.12 0.03 0.34 -0.75 4.34 3.84 1zmcH1 ARG 199 HB2 -0.07 0.18 0.19 -0.04 1.90 2.16 1zmcH1 ARG 199 HB3 0.02 -0.04 -0.01 -0.04 1.80 1.72 1zmcH1 ARG 199 HG2 -0.12 -0.05 0.04 -0.04 1.67 1.50 1zmcH1 ARG 199 HG3 -0.05 0.06 0.08 -0.04 1.67 1.72 1zmcH1 ARG 199 HD2 -0.02 0.01 -0.07 -0.04 3.22 3.09 1zmcH1 ARG 199 HD3 0.06 -0.06 -0.39 -0.04 3.22 2.79 1zmcH1 LEU 200 H -0.06 0.29 -0.31 -0.55 8.37 7.74 1zmcH1 LEU 200 HA -0.11 0.05 0.49 -0.75 4.35 4.03 1zmcH1 LEU 200 HB2 0.06 0.05 0.08 -0.04 1.64 1.79 1zmcH1 LEU 200 HB3 -0.10 -0.12 0.13 -0.04 1.64 1.52 1zmcH1 LEU 200 HG -0.29 0.29 0.05 -0.04 1.64 1.65 1zmcH1 LEU 200 HD13 -0.61 -0.04 -0.07 -0.04 0.93 0.16 1zmcH1 LEU 200 HD23 -0.33 -0.03 -0.07 -0.04 0.89 0.43 1zmcH1 GLY 201 H 0.02 0.57 -0.44 -0.55 8.43 8.03 1zmcH1 GLY 201 HA2 0.03 -0.01 0.31 -0.51 4.01 3.83 1zmcH1 GLY 201 HA3 0.01 0.10 0.98 -0.51 4.01 4.59 1zmcH1 ALA 202 H 0.06 0.35 0.05 -0.55 8.40 8.31 1zmcH1 ALA 202 HA -0.01 0.22 0.65 -0.75 4.34 4.44 1zmcH1 ALA 202 HB3 0.02 -0.05 -0.23 -0.04 1.41 1.11 1zmcH1 ASP 203 H -0.04 0.67 0.35 -0.55 8.40 8.83 1zmcH1 ASP 203 HA -0.05 0.14 0.70 -0.75 4.63 4.66 1zmcH1 ASP 203 HB2 -0.03 0.06 0.20 -0.04 2.71 2.90 1zmcH1 ASP 203 HB3 -0.04 -0.11 0.40 -0.04 2.70 2.91 1zmcH1 VAL 204 H -0.12 0.32 0.21 -0.55 8.24 8.10 1zmcH1 VAL 204 HA -0.12 0.35 1.30 -0.75 4.13 4.90 1zmcH1 VAL 204 HB -0.50 -0.00 -0.00 -0.04 2.12 1.57 1zmcH1 VAL 204 HG13 -0.33 -0.03 -0.18 -0.04 0.97 0.38 1zmcH1 VAL 204 HG23 -0.13 0.07 -0.45 -0.04 0.95 0.40 1zmcH1 THR 205 H -0.08 0.56 0.34 -0.55 8.28 8.55 1zmcH1 THR 205 HA -0.06 0.29 0.89 -0.75 4.39 4.76 1zmcH1 THR 205 HB -0.03 -0.02 0.06 -0.04 4.32 4.29 1zmcH1 THR 205 HG23 0.00 -0.03 -0.34 -0.04 1.22 0.81 1zmcH1 ALA 206 H -0.10 0.69 0.29 -0.55 8.40 8.72 1zmcH1 ALA 206 HA 0.09 0.20 1.06 -0.75 4.34 4.94 1zmcH1 ALA 206 HB3 0.18 -0.02 -0.07 -0.04 1.41 1.46 1zmcH1 VAL 207 H 0.08 0.75 0.29 -0.55 8.24 8.82 1zmcH1 VAL 207 HA 0.09 0.25 0.95 -0.75 4.13 4.66 1zmcH1 VAL 207 HB 0.06 -0.09 0.12 -0.04 2.12 2.16 1zmcH1 VAL 207 HG13 0.08 0.04 -0.25 -0.04 0.97 0.80 1zmcH1 VAL 207 HG23 0.03 0.02 -0.21 -0.04 0.95 0.75 1zmcH1 GLU 208 H 0.11 0.75 0.25 -0.55 8.60 9.16 1zmcH1 GLU 208 HA 0.12 -0.02 1.03 -0.75 4.29 4.66 1zmcH1 GLU 208 HB2 0.09 -0.10 -0.10 -0.04 2.09 1.94 1zmcH1 GLU 208 HB3 0.06 0.11 -0.00 -0.04 1.99 2.11 1zmcH1 GLU 208 HG2 -0.09 0.21 -0.09 -0.04 2.34 2.32 1zmcH1 GLU 208 HG3 -0.01 0.05 -0.31 -0.04 2.34 2.03 1zmcH1 PHE 209 H 0.24 0.04 0.22 -0.55 8.34 8.29 1zmcH1 PHE 209 HA 0.03 0.19 0.30 -0.75 4.62 4.38 1zmcH1 PHE 209 HB2 0.05 0.04 0.14 -0.04 3.15 3.33 1zmcH1 PHE 209 HB3 0.02 -0.10 0.12 -0.04 3.06 3.06 1zmcH1 PHE 209 HD2 0.03 -0.03 -0.17 -0.04 7.28 7.06 1zmcH1 PHE 209 HE2 0.02 0.05 -0.03 -0.04 7.38 7.38 1zmcH1 PHE 209 HZ 0.02 0.07 -0.03 -0.04 7.32 7.34 1zmcH1 LEU 210 H 0.10 -0.05 -0.03 -0.55 8.37 7.84 1zmcH1 LEU 210 HA -0.07 0.18 0.52 -0.75 4.35 4.24 1zmcH1 LEU 210 HB2 -0.15 0.03 0.05 -0.04 1.64 1.53 1zmcH1 LEU 210 HB3 0.04 -0.07 0.16 -0.04 1.64 1.72 1zmcH1 LEU 210 HG 0.15 -0.08 0.05 -0.04 1.64 1.72 1zmcH1 LEU 210 HD13 0.09 0.01 -0.03 -0.04 0.93 0.96 1zmcH1 LEU 210 HD23 0.16 0.04 -0.03 -0.04 0.89 1.02 1zmcH1 GLY 211 H 0.05 0.13 0.11 -0.55 8.43 8.17 1zmcH1 GLY 211 HA2 -0.04 0.18 0.72 -0.51 4.01 4.36 1zmcH1 GLY 211 HA3 -0.00 0.06 0.33 -0.51 4.01 3.89 1zmcH1 HIS 212 H -0.21 0.18 -0.16 -0.55 8.41 7.67 1zmcH1 HIS 212 HA -0.11 0.18 0.56 -0.75 4.63 4.51 1zmcH1 HIS 212 HB2 -0.08 0.01 0.01 -0.04 3.26 3.16 1zmcH1 HIS 212 HB3 -0.07 0.04 -0.24 -0.04 3.20 2.89 1zmcH1 HIS 212 HD2 -0.06 0.33 -0.35 -0.04 6.97 6.85 1zmcH1 HIS 212 HE1 0.00 -0.03 -0.10 -0.04 7.75 7.58 1zmcH1 VAL 213 H -0.08 0.18 0.06 -0.55 8.24 7.84 1zmcH1 VAL 213 HA -0.18 0.14 0.79 -0.75 4.13 4.13 1zmcH1 VAL 213 HB -0.23 0.05 0.07 -0.04 2.12 1.96 1zmcH1 VAL 213 HG13 -0.94 0.01 -0.12 -0.04 0.97 -0.11 1zmcH1 VAL 213 HG23 -0.12 0.02 -0.13 -0.04 0.95 0.67 1zmcH1 GLY 214 H 0.06 0.71 0.24 -0.55 8.43 8.90 1zmcH1 GLY 214 HA2 0.21 -0.04 0.18 -0.51 4.01 3.85 1zmcH1 GLY 214 HA3 0.16 0.18 0.64 -0.51 4.01 4.48 1zmcH1 GLY 215 H 0.04 0.15 -0.15 -0.55 8.43 7.92 1zmcH1 GLY 215 HA2 0.10 0.01 0.28 -0.51 4.01 3.89 1zmcH1 GLY 215 HA3 0.16 0.00 0.52 -0.51 4.01 4.18 1zmcH1 VAL 216 H 0.16 0.08 0.17 -0.55 8.24 8.10 1zmcH1 VAL 216 HA 0.14 0.12 0.56 -0.75 4.13 4.20 1zmcH1 VAL 216 HB 0.10 0.05 0.01 -0.04 2.12 2.24 1zmcH1 VAL 216 HG13 0.09 0.00 0.01 -0.04 0.97 1.03 1zmcH1 VAL 216 HG23 0.12 -0.00 0.05 -0.04 0.95 1.07 1zmcH1 GLY 217 H 0.04 0.14 0.10 -0.55 8.43 8.17 1zmcH1 GLY 217 HA2 0.05 -0.02 0.31 -0.51 4.01 3.85 1zmcH1 GLY 217 HA3 0.24 0.16 0.43 -0.51 4.01 4.32 1zmcH1 ILE 218 H -0.08 0.19 -0.68 -0.55 8.25 7.13 1zmcH1 ILE 218 HA -1.61 0.08 0.41 -0.75 4.18 2.30 1zmcH1 ILE 218 HB -0.53 0.10 -0.14 -0.04 1.89 1.28 1zmcH1 ILE 218 HG12 -0.49 0.08 -0.19 -0.04 1.49 0.84 1zmcH1 ILE 218 HG13 -1.35 -0.09 -0.02 -0.04 1.21 -0.29 1zmcH1 ILE 218 HG23 -0.11 0.06 -0.26 -0.04 0.93 0.58 1zmcH1 ILE 218 HD13 -0.23 0.03 -0.12 -0.04 0.88 0.51 1zmcH1 ASP 219 H -0.78 0.16 0.09 -0.55 8.40 7.33 1zmcH1 ASP 219 HA -0.40 -0.02 0.54 -0.75 4.63 3.99 1zmcH1 ASP 219 HB2 -1.15 0.14 0.12 -0.04 2.71 1.78 1zmcH1 ASP 219 HB3 -0.55 0.01 0.11 -0.04 2.70 2.23 1zmcH1 MET 220 H -0.26 0.11 0.17 -0.55 8.47 7.94 1zmcH1 MET 220 HA -0.22 0.13 0.32 -0.75 4.52 4.00 1zmcH1 MET 220 HB2 -0.15 -0.06 0.14 -0.04 2.15 2.04 1zmcH1 MET 220 HB3 -0.12 0.10 -0.02 -0.04 2.03 1.95 1zmcH1 MET 220 HG2 -0.24 -0.04 0.08 -0.04 2.63 2.39 1zmcH1 MET 220 HG3 -0.16 0.08 0.02 -0.04 2.56 2.46 1zmcH1 MET 220 HE3 -0.06 0.01 -0.07 -0.04 2.10 1.94 1zmcH1 GLU 221 H -0.15 0.09 -0.05 -0.55 8.60 7.94 1zmcH1 GLU 221 HA -0.07 0.13 0.38 -0.75 4.29 3.99 1zmcH1 GLU 221 HB2 -0.07 0.07 0.07 -0.04 2.09 2.12 1zmcH1 GLU 221 HB3 -0.11 -0.09 0.03 -0.04 1.99 1.77 1zmcH1 GLU 221 HG2 -0.05 0.00 -0.37 -0.04 2.34 1.89 1zmcH1 GLU 221 HG3 -0.04 0.04 -0.03 -0.04 2.34 2.27 1zmcH1 ILE 222 H -0.17 0.02 -0.39 -0.55 8.25 7.16 1zmcH1 ILE 222 HA -0.04 0.09 0.34 -0.75 4.18 3.81 1zmcH1 ILE 222 HB -0.25 0.09 0.05 -0.04 1.89 1.74 1zmcH1 ILE 222 HG12 -0.13 -0.08 -0.05 -0.04 1.49 1.18 1zmcH1 ILE 222 HG13 -0.08 -0.01 -0.05 -0.04 1.21 1.02 1zmcH1 ILE 222 HG23 -0.10 0.01 -0.24 -0.04 0.93 0.56 1zmcH1 ILE 222 HD13 0.03 0.03 -0.16 -0.04 0.88 0.74 1zmcH1 SER 223 H -0.14 0.50 -0.16 -0.55 8.46 8.11 1zmcH1 SER 223 HA 0.06 0.02 0.36 -0.75 4.49 4.18 1zmcH1 SER 223 HB2 -0.12 0.02 -0.07 -0.04 3.95 3.74 1zmcH1 SER 223 HB3 -0.08 0.06 0.13 -0.04 3.93 4.00 1zmcH1 LYS 224 H -0.05 0.75 -0.04 -0.55 8.42 8.53 1zmcH1 LYS 224 HA -0.04 0.02 0.44 -0.75 4.32 3.98 1zmcH1 LYS 224 HB2 -0.04 0.10 0.13 -0.04 1.87 2.01 1zmcH1 LYS 224 HB3 -0.03 0.05 0.06 -0.04 1.79 1.83 1zmcH1 LYS 224 HG2 -0.03 0.02 -0.01 -0.04 1.46 1.40 1zmcH1 LYS 224 HG3 -0.03 -0.01 0.05 -0.04 1.46 1.43 1zmcH1 LYS 224 HD2 -0.04 -0.05 -0.02 -0.04 1.69 1.54 1zmcH1 LYS 224 HD3 -0.03 0.03 0.00 -0.04 1.68 1.64 1zmcH1 LYS 224 HE2 -0.03 -0.12 0.02 -0.04 2.99 2.81 1zmcH1 LYS 224 HE3 -0.01 0.09 0.06 -0.04 2.99 3.08 1zmcH1 ASN 225 H -0.00 0.56 -0.13 -0.55 8.53 8.41 1zmcH1 ASN 225 HA 0.02 0.05 0.39 -0.75 4.76 4.46 1zmcH1 ASN 225 HB2 0.04 0.06 0.10 -0.04 2.88 3.04 1zmcH1 ASN 225 HB3 0.04 -0.05 0.01 -0.04 2.79 2.75 1zmcH1 ASN 225 HD21 -0.01 -0.01 -0.01 -0.04 7.03 6.96 1zmcH1 ASN 225 HD22 0.00 -0.05 -0.06 -0.04 7.74 7.58 1zmcH1 PHE 226 H 0.15 0.43 -0.34 -0.55 8.34 8.02 1zmcH1 PHE 226 HA -0.00 0.01 0.44 -0.75 4.62 4.32 1zmcH1 PHE 226 HB2 -0.02 0.04 0.06 -0.04 3.15 3.19 1zmcH1 PHE 226 HB3 -0.07 0.08 0.16 -0.04 3.06 3.19 1zmcH1 PHE 226 HD2 -0.02 -0.00 -0.10 -0.04 7.28 7.12 1zmcH1 PHE 226 HE2 0.04 0.06 -0.14 -0.04 7.38 7.29 1zmcH1 PHE 226 HZ 0.08 -0.06 -0.12 -0.04 7.32 7.18 1zmcH1 GLN 227 H -0.04 0.67 -0.06 -0.55 8.47 8.48 1zmcH1 GLN 227 HA -0.49 -0.02 0.38 -0.75 4.36 3.48 1zmcH1 GLN 227 HB2 -0.30 -0.05 0.14 -0.04 2.15 1.91 1zmcH1 GLN 227 HB3 -0.15 0.19 0.16 -0.04 2.02 2.18 1zmcH1 GLN 227 HG2 -0.19 0.03 -0.14 -0.04 2.40 2.06 1zmcH1 GLN 227 HG3 -0.88 -0.07 -0.02 -0.04 2.39 1.39 1zmcH1 GLN 227 HE21 -0.05 0.01 -0.05 -0.04 6.97 6.84 1zmcH1 GLN 227 HE22 -0.01 0.03 -0.06 -0.04 7.69 7.61 1zmcH1 ARG 228 H -0.04 0.43 -0.23 -0.55 8.46 8.07 1zmcH1 ARG 228 HA -0.00 0.03 0.40 -0.75 4.34 4.02 1zmcH1 ARG 228 HB2 0.01 0.13 0.16 -0.04 1.90 2.17 1zmcH1 ARG 228 HB3 0.01 -0.01 -0.00 -0.04 1.80 1.75 1zmcH1 ARG 228 HG2 -0.00 -0.02 0.03 -0.04 1.67 1.64 1zmcH1 ARG 228 HG3 -0.02 0.19 0.07 -0.04 1.67 1.87 1zmcH1 ARG 228 HD2 0.01 -0.01 0.02 -0.04 3.22 3.20 1zmcH1 ARG 228 HD3 0.01 0.00 -0.01 -0.04 3.22 3.18 1zmcH1 ILE 229 H 0.01 0.41 -0.14 -0.55 8.25 7.98 1zmcH1 ILE 229 HA 0.04 0.03 0.43 -0.75 4.18 3.93 1zmcH1 ILE 229 HB 0.07 0.08 0.15 -0.04 1.89 2.15 1zmcH1 ILE 229 HG12 0.06 -0.03 0.06 -0.04 1.49 1.55 1zmcH1 ILE 229 HG13 0.05 0.11 0.13 -0.04 1.21 1.47 1zmcH1 ILE 229 HG23 0.09 -0.01 -0.02 -0.04 0.93 0.95 1zmcH1 ILE 229 HD13 0.10 -0.05 -0.01 -0.04 0.88 0.88 1zmcH1 LEU 230 H -0.13 0.47 -0.19 -0.55 8.37 7.98 1zmcH1 LEU 230 HA 0.04 0.06 0.45 -0.75 4.35 4.15 1zmcH1 LEU 230 HB2 -0.13 0.08 0.12 -0.04 1.64 1.67 1zmcH1 LEU 230 HB3 0.01 -0.04 -0.02 -0.04 1.64 1.55 1zmcH1 LEU 230 HG -0.92 0.20 -0.03 -0.04 1.64 0.85 1zmcH1 LEU 230 HD13 -0.75 -0.04 -0.11 -0.04 0.93 -0.02 1zmcH1 LEU 230 HD23 -0.02 -0.01 -0.08 -0.04 0.89 0.74 1zmcH1 GLN 231 H 0.06 0.56 -0.07 -0.55 8.47 8.47 1zmcH1 GLN 231 HA 0.14 0.52 0.49 -0.75 4.36 4.75 1zmcH1 GLN 231 HB2 0.06 0.09 0.22 -0.04 2.15 2.48 1zmcH1 GLN 231 HB3 0.08 -0.06 0.01 -0.04 2.02 2.01 1zmcH1 GLN 231 HG2 0.21 0.01 0.17 -0.04 2.40 2.74 1zmcH1 GLN 231 HG3 0.27 0.01 0.11 -0.04 2.39 2.74 1zmcH1 GLN 231 HE21 0.03 -0.07 -0.03 -0.04 6.97 6.86 1zmcH1 GLN 231 HE22 0.04 0.08 0.03 -0.04 7.69 7.81 1zmcH1 LYS 232 H 0.06 0.44 -0.17 -0.55 8.42 8.19 1zmcH1 LYS 232 HA 0.05 0.02 0.39 -0.75 4.32 4.03 1zmcH1 LYS 232 HB2 0.04 -0.05 0.11 -0.04 1.87 1.93 1zmcH1 LYS 232 HB3 0.05 0.11 0.16 -0.04 1.79 2.07 1zmcH1 LYS 232 HG2 0.06 0.04 -0.00 -0.04 1.46 1.51 1zmcH1 LYS 232 HG3 0.05 -0.06 0.04 -0.04 1.46 1.44 1zmcH1 LYS 232 HD2 0.06 -0.04 -0.02 -0.04 1.69 1.65 1zmcH1 LYS 232 HD3 0.06 -0.08 0.01 -0.04 1.68 1.63 1zmcH1 LYS 232 HE2 0.08 0.34 0.01 -0.04 2.99 3.37 1zmcH1 LYS 232 HE3 0.09 -0.01 -0.19 -0.04 2.99 2.85 1zmcH1 GLN 233 H 0.08 0.26 -0.47 -0.55 8.47 7.79 1zmcH1 GLN 233 HA 0.08 0.04 0.53 -0.75 4.36 4.26 1zmcH1 GLN 233 HB2 0.11 0.08 0.21 -0.04 2.15 2.51 1zmcH1 GLN 233 HB3 0.06 -0.05 0.12 -0.04 2.02 2.11 1zmcH1 GLN 233 HG2 0.15 -0.05 0.07 -0.04 2.40 2.54 1zmcH1 GLN 233 HG3 0.11 0.19 0.10 -0.04 2.39 2.74 1zmcH1 GLN 233 HE21 0.20 0.41 0.40 -0.04 6.97 7.94 1zmcH1 GLN 233 HE22 0.16 -0.11 0.06 -0.04 7.69 7.76 1zmcH1 GLY 234 H 0.08 0.38 -0.49 -0.55 8.43 7.85 1zmcH1 GLY 234 HA2 0.03 -0.00 0.28 -0.51 4.01 3.81 1zmcH1 GLY 234 HA3 0.01 0.16 0.85 -0.51 4.01 4.53 1zmcH1 PHE 235 H 0.18 0.39 0.03 -0.55 8.34 8.39 1zmcH1 PHE 235 HA -0.14 0.06 0.48 -0.75 4.62 4.27 1zmcH1 PHE 235 HB2 -0.04 0.04 0.02 -0.04 3.15 3.13 1zmcH1 PHE 235 HB3 -0.02 -0.13 -0.17 -0.04 3.06 2.70 1zmcH1 PHE 235 HD2 -0.33 0.12 -0.16 -0.04 7.28 6.86 1zmcH1 PHE 235 HE2 -0.18 0.03 -0.08 -0.04 7.38 7.12 1zmcH1 PHE 235 HZ 0.02 0.01 -0.08 -0.04 7.32 7.23 1zmcH1 LYS 236 H 0.02 0.56 0.38 -0.55 8.42 8.82 1zmcH1 LYS 236 HA 0.02 0.13 0.80 -0.75 4.32 4.52 1zmcH1 LYS 236 HB2 -0.03 0.02 0.20 -0.04 1.87 2.02 1zmcH1 LYS 236 HB3 0.01 -0.06 0.05 -0.04 1.79 1.75 1zmcH1 LYS 236 HG2 0.02 -0.03 -0.03 -0.04 1.46 1.39 1zmcH1 LYS 236 HG3 0.00 0.26 0.01 -0.04 1.46 1.69 1zmcH1 LYS 236 HD2 0.00 -0.08 -0.02 -0.04 1.69 1.55 1zmcH1 LYS 236 HD3 0.00 0.00 0.01 -0.04 1.68 1.65 1zmcH1 LYS 236 HE2 -0.03 0.02 -0.12 -0.04 2.99 2.82 1zmcH1 LYS 236 HE3 -0.02 -0.08 -0.06 -0.04 2.99 2.80 1zmcH1 PHE 237 H 0.13 0.24 0.20 -0.55 8.34 8.35 1zmcH1 PHE 237 HA 0.04 0.22 1.16 -0.75 4.62 5.29 1zmcH1 PHE 237 HB2 -0.05 0.02 0.02 -0.04 3.15 3.10 1zmcH1 PHE 237 HB3 -0.05 -0.07 -0.13 -0.04 3.06 2.77 1zmcH1 PHE 237 HD2 -0.11 0.04 -0.12 -0.04 7.28 7.05 1zmcH1 PHE 237 HE2 -0.44 -0.02 -0.14 -0.04 7.38 6.74 1zmcH1 PHE 237 HZ -1.28 -0.03 -0.13 -0.04 7.32 5.83 1zmcH1 LYS 238 H 0.16 0.70 0.23 -0.55 8.42 8.96 1zmcH1 LYS 238 HA 0.07 0.18 0.86 -0.75 4.32 4.68 1zmcH1 LYS 238 HB2 0.06 -0.02 0.05 -0.04 1.87 1.92 1zmcH1 LYS 238 HB3 0.05 0.01 0.03 -0.04 1.79 1.84 1zmcH1 LYS 238 HG2 0.04 0.06 -0.02 -0.04 1.46 1.50 1zmcH1 LYS 238 HG3 0.04 -0.00 -0.27 -0.04 1.46 1.19 1zmcH1 LYS 238 HD2 0.02 -0.04 -0.16 -0.04 1.69 1.48 1zmcH1 LYS 238 HD3 0.03 -0.01 -0.13 -0.04 1.68 1.53 1zmcH1 LYS 238 HE2 0.02 0.02 -0.10 -0.04 2.99 2.88 1zmcH1 LYS 238 HE3 0.01 -0.02 -0.12 -0.04 2.99 2.83 1zmcH1 LEU 239 H 0.05 0.16 -0.03 -0.55 8.37 8.00 1zmcH1 LEU 239 HA 0.03 0.14 0.79 -0.75 4.35 4.55 1zmcH1 LEU 239 HB2 -0.02 0.02 -0.03 -0.04 1.64 1.57 1zmcH1 LEU 239 HB3 -0.04 0.05 0.10 -0.04 1.64 1.71 1zmcH1 LEU 239 HG 0.02 -0.00 -0.17 -0.04 1.64 1.44 1zmcH1 LEU 239 HD13 -0.10 -0.01 -0.30 -0.04 0.93 0.48 1zmcH1 LEU 239 HD23 -0.07 -0.02 -0.29 -0.04 0.89 0.47 1zmcH1 ASN 240 H -0.07 0.78 0.11 -0.55 8.53 8.80 1zmcH1 ASN 240 HA -0.24 0.28 0.36 -0.75 4.76 4.40 1zmcH1 ASN 240 HB2 -0.06 0.21 -0.07 -0.04 2.88 2.92 1zmcH1 ASN 240 HB3 -0.11 -0.13 0.22 -0.04 2.79 2.73 1zmcH1 ASN 240 HD21 -0.04 -0.03 -0.05 -0.04 7.03 6.87 1zmcH1 ASN 240 HD22 -0.04 0.07 -0.19 -0.04 7.74 7.55 1zmcH1 THR 241 H -0.00 0.55 -0.27 -0.55 8.28 8.01 1zmcH1 THR 241 HA 0.03 0.18 0.96 -0.75 4.39 4.80 1zmcH1 THR 241 HB 0.06 0.00 -0.15 -0.04 4.32 4.20 1zmcH1 THR 241 HG23 0.06 0.00 -0.31 -0.04 1.22 0.93 1zmcH1 LYS 242 H 0.13 0.81 0.09 -0.55 8.42 8.90 1zmcH1 LYS 242 HA 0.34 0.02 0.70 -0.75 4.32 4.63 1zmcH1 LYS 242 HB2 0.49 -0.02 -0.07 -0.04 1.87 2.23 1zmcH1 LYS 242 HB3 0.19 0.04 -0.03 -0.04 1.79 1.95 1zmcH1 LYS 242 HG2 0.14 0.09 -0.39 -0.04 1.46 1.26 1zmcH1 LYS 242 HG3 0.09 -0.05 -0.03 -0.04 1.46 1.44 1zmcH1 LYS 242 HD2 0.24 0.04 -0.02 -0.04 1.69 1.91 1zmcH1 LYS 242 HD3 0.13 -0.02 -0.09 -0.04 1.68 1.65 1zmcH1 LYS 242 HE2 -0.07 -0.03 -0.02 -0.04 2.99 2.83 1zmcH1 LYS 242 HE3 0.03 -0.01 -0.02 -0.04 2.99 2.95 1zmcH1 VAL 243 H 0.19 0.11 0.10 -0.55 8.24 8.08 1zmcH1 VAL 243 HA 0.06 0.15 0.67 -0.75 4.13 4.25 1zmcH1 VAL 243 HB 0.13 -0.05 0.12 -0.04 2.12 2.27 1zmcH1 VAL 243 HG13 -0.20 0.01 -0.21 -0.04 0.97 0.53 1zmcH1 VAL 243 HG23 0.04 -0.00 -0.08 -0.04 0.95 0.86 1zmcH1 THR 244 H 0.05 0.63 0.34 -0.55 8.28 8.75 1zmcH1 THR 244 HA 0.15 0.09 0.58 -0.75 4.39 4.45 1zmcH1 THR 244 HB 0.06 -0.03 -0.04 -0.04 4.32 4.27 1zmcH1 THR 244 HG23 0.07 0.00 -0.14 -0.04 1.22 1.11 1zmcH1 GLY 245 H -0.01 0.34 0.26 -0.55 8.43 8.47 1zmcH1 GLY 245 HA2 -0.10 0.10 0.35 -0.51 4.01 3.85 1zmcH1 GLY 245 HA3 0.01 0.07 0.34 -0.51 4.01 3.92 1zmcH1 ALA 246 H -0.07 0.33 0.18 -0.55 8.40 8.30 1zmcH1 ALA 246 HA -0.06 0.33 0.91 -0.75 4.34 4.77 1zmcH1 ALA 246 HB3 -0.11 -0.02 -0.10 -0.04 1.41 1.14 1zmcH1 THR 247 H -0.04 0.57 0.31 -0.55 8.28 8.57 1zmcH1 THR 247 HA -0.02 0.15 0.89 -0.75 4.39 4.65 1zmcH1 THR 247 HB -0.01 0.06 0.01 -0.04 4.32 4.34 1zmcH1 THR 247 HG23 -0.01 0.01 -0.23 -0.04 1.22 0.95 1zmcH1 LYS 248 H -0.02 0.17 0.14 -0.55 8.42 8.15 1zmcH1 LYS 248 HA -0.03 0.13 0.68 -0.75 4.32 4.34 1zmcH1 LYS 248 HB2 -0.03 -0.06 0.13 -0.04 1.87 1.88 1zmcH1 LYS 248 HB3 -0.02 0.01 0.09 -0.04 1.79 1.83 1zmcH1 LYS 248 HG2 -0.03 0.18 -0.06 -0.04 1.46 1.51 1zmcH1 LYS 248 HG3 -0.03 -0.08 -0.03 -0.04 1.46 1.27 1zmcH1 LYS 248 HD2 -0.02 0.03 -0.05 -0.04 1.69 1.61 1zmcH1 LYS 248 HD3 -0.03 0.03 -0.01 -0.04 1.68 1.63 1zmcH1 LYS 248 HE2 -0.03 -0.10 0.03 -0.04 2.99 2.85 1zmcH1 LYS 248 HE3 -0.02 -0.00 0.03 -0.04 2.99 2.96 1zmcH1 LYS 249 H -0.03 0.70 0.32 -0.55 8.42 8.87 1zmcH1 LYS 249 HA -0.02 0.12 0.63 -0.75 4.32 4.31 1zmcH1 LYS 249 HB2 -0.02 -0.01 0.07 -0.04 1.87 1.87 1zmcH1 LYS 249 HB3 -0.02 -0.08 0.10 -0.04 1.79 1.75 1zmcH1 LYS 249 HG2 -0.02 0.01 -0.09 -0.04 1.46 1.33 1zmcH1 LYS 249 HG3 -0.02 0.10 0.01 -0.04 1.46 1.51 1zmcH1 LYS 249 HD2 -0.01 -0.01 -0.04 -0.04 1.69 1.59 1zmcH1 LYS 249 HD3 -0.02 0.01 -0.07 -0.04 1.68 1.56 1zmcH1 LYS 249 HE2 -0.02 -0.01 -0.30 -0.04 2.99 2.62 1zmcH1 LYS 249 HE3 -0.02 -0.07 -0.12 -0.04 2.99 2.74 1zmcH1 SER 250 H -0.01 0.16 0.17 -0.55 8.46 8.23 1zmcH1 SER 250 HA -0.01 0.13 0.39 -0.75 4.49 4.25 1zmcH1 SER 250 HB2 -0.01 0.05 0.06 -0.04 3.95 4.00 1zmcH1 SER 250 HB3 -0.01 0.04 0.14 -0.04 3.93 4.06 1zmcH1 ASP 251 H -0.02 0.01 -0.35 -0.55 8.40 7.50 1zmcH1 ASP 251 HA -0.02 0.18 0.56 -0.75 4.63 4.59 1zmcH1 ASP 251 HB2 -0.02 0.06 0.14 -0.04 2.71 2.85 1zmcH1 ASP 251 HB3 -0.01 0.00 0.06 -0.04 2.70 2.70 1zmcH1 GLY 252 H -0.02 0.51 -0.50 -0.55 8.43 7.87 1zmcH1 GLY 252 HA2 -0.03 0.02 0.30 -0.51 4.01 3.79 1zmcH1 GLY 252 HA3 -0.03 0.12 0.61 -0.51 4.01 4.21 1zmcH1 LYS 253 H -0.03 -0.08 -0.47 -0.55 8.42 7.29 1zmcH1 LYS 253 HA -0.04 0.23 0.65 -0.75 4.32 4.41 1zmcH1 LYS 253 HB2 -0.03 -0.11 -0.03 -0.04 1.87 1.66 1zmcH1 LYS 253 HB3 -0.03 0.03 0.04 -0.04 1.79 1.78 1zmcH1 LYS 253 HG2 -0.03 0.06 -0.09 -0.04 1.46 1.36 1zmcH1 LYS 253 HG3 -0.03 0.02 -0.09 -0.04 1.46 1.32 1zmcH1 LYS 253 HD2 -0.02 -0.03 -0.06 -0.04 1.69 1.54 1zmcH1 LYS 253 HD3 -0.03 -0.01 -0.10 -0.04 1.68 1.51 1zmcH1 LYS 253 HE2 -0.02 0.02 -0.04 -0.04 2.99 2.91 1zmcH1 LYS 253 HE3 -0.03 0.00 -0.06 -0.04 2.99 2.87 1zmcH1 ILE 254 H -0.04 0.66 0.33 -0.55 8.25 8.65 1zmcH1 ILE 254 HA -0.04 0.18 1.12 -0.75 4.18 4.69 1zmcH1 ILE 254 HB -0.05 -0.02 -0.06 -0.04 1.89 1.71 1zmcH1 ILE 254 HG12 -0.05 -0.07 -0.17 -0.04 1.49 1.16 1zmcH1 ILE 254 HG13 -0.05 0.07 -0.40 -0.04 1.21 0.78 1zmcH1 ILE 254 HG23 -0.05 -0.02 -0.34 -0.04 0.93 0.47 1zmcH1 ILE 254 HD13 -0.06 -0.04 -0.27 -0.04 0.88 0.47 1zmcH1 ASP 255 H -0.03 0.58 0.29 -0.55 8.40 8.69 1zmcH1 ASP 255 HA -0.03 0.24 0.90 -0.75 4.63 4.99 1zmcH1 ASP 255 HB2 -0.02 0.05 0.17 -0.04 2.71 2.87 1zmcH1 ASP 255 HB3 -0.02 -0.02 -0.06 -0.04 2.70 2.56 1zmcH1 VAL 256 H -0.03 0.77 0.33 -0.55 8.24 8.76 1zmcH1 VAL 256 HA -0.06 0.21 1.07 -0.75 4.13 4.60 1zmcH1 VAL 256 HB -0.03 -0.04 0.13 -0.04 2.12 2.14 1zmcH1 VAL 256 HG13 -0.06 0.00 -0.17 -0.04 0.97 0.70 1zmcH1 VAL 256 HG23 -0.06 0.01 -0.19 -0.04 0.95 0.66 1zmcH1 SER 257 H -0.03 0.55 0.30 -0.55 8.46 8.74 1zmcH1 SER 257 HA -0.00 0.27 1.18 -0.75 4.49 5.18 1zmcH1 SER 257 HB2 0.01 0.08 0.06 -0.04 3.95 4.05 1zmcH1 SER 257 HB3 -0.00 -0.03 -0.00 -0.04 3.93 3.86 1zmcH1 ILE 258 H 0.02 0.80 0.40 -0.55 8.25 8.92 1zmcH1 ILE 258 HA 0.05 0.16 1.07 -0.75 4.18 4.70 1zmcH1 ILE 258 HB 0.05 0.04 -0.07 -0.04 1.89 1.87 1zmcH1 ILE 258 HG12 0.02 0.01 -0.17 -0.04 1.49 1.30 1zmcH1 ILE 258 HG13 0.02 0.03 -0.19 -0.04 1.21 1.03 1zmcH1 ILE 258 HG23 0.02 -0.03 -0.37 -0.04 0.93 0.52 1zmcH1 ILE 258 HD13 0.02 -0.01 -0.19 -0.04 0.88 0.66 1zmcH1 GLU 259 H 0.07 0.56 0.29 -0.55 8.60 8.97 1zmcH1 GLU 259 HA 0.04 0.25 0.57 -0.75 4.29 4.38 1zmcH1 GLU 259 HB2 0.07 -0.04 -0.04 -0.04 2.09 2.04 1zmcH1 GLU 259 HB3 0.05 0.06 0.03 -0.04 1.99 2.10 1zmcH1 GLU 259 HG2 0.03 0.02 -0.04 -0.04 2.34 2.31 1zmcH1 GLU 259 HG3 0.04 -0.06 -0.38 -0.04 2.34 1.91 1zmcH1 ALA 260 H 0.03 0.61 -0.00 -0.55 8.40 8.49 1zmcH1 ALA 260 HA 0.00 0.18 0.54 -0.75 4.34 4.31 1zmcH1 ALA 260 HB3 0.00 0.03 -0.13 -0.04 1.41 1.27 1zmcH1 ALA 261 H -0.08 0.82 0.25 -0.55 8.40 8.85 1zmcH1 ALA 261 HA 0.10 -0.01 0.29 -0.75 4.34 3.97 1zmcH1 ALA 261 HB3 -0.56 -0.02 0.00 -0.04 1.41 0.80 1zmcH1 SER 262 H -0.04 0.10 -0.24 -0.55 8.46 7.73 1zmcH1 SER 262 HA 0.03 0.12 0.58 -0.75 4.49 4.46 1zmcH1 SER 262 HB2 0.00 0.01 0.18 -0.04 3.95 4.10 1zmcH1 SER 262 HB3 -0.02 -0.04 0.05 -0.04 3.93 3.88 1zmcH1 GLY 263 H 0.05 0.44 -0.78 -0.55 8.43 7.59 1zmcH1 GLY 263 HA2 0.04 -0.02 0.33 -0.51 4.01 3.85 1zmcH1 GLY 263 HA3 0.03 0.05 0.37 -0.51 4.01 3.95 1zmcH1 GLY 264 H 0.03 0.08 0.12 -0.55 8.43 8.12 1zmcH1 GLY 264 HA2 0.02 -0.00 0.36 -0.51 4.01 3.88 1zmcH1 GLY 264 HA3 0.01 0.21 0.66 -0.51 4.01 4.38 1zmcH1 LYS 265 H 0.01 0.15 0.16 -0.55 8.42 8.19 1zmcH1 LYS 265 HA 0.01 0.06 0.30 -0.75 4.32 3.94 1zmcH1 LYS 265 HB2 0.01 0.01 -0.11 -0.04 1.87 1.74 1zmcH1 LYS 265 HB3 0.01 0.02 0.01 -0.04 1.79 1.79 1zmcH1 LYS 265 HG2 0.01 0.00 0.03 -0.04 1.46 1.47 1zmcH1 LYS 265 HG3 0.01 0.01 0.02 -0.04 1.46 1.46 1zmcH1 LYS 265 HD2 0.01 0.00 -0.02 -0.04 1.69 1.63 1zmcH1 LYS 265 HD3 0.01 -0.00 -0.05 -0.04 1.68 1.60 1zmcH1 LYS 265 HE2 0.01 0.00 -0.03 -0.04 2.99 2.94 1zmcH1 LYS 265 HE3 0.01 0.01 -0.03 -0.04 2.99 2.94 1zmcH1 ALA 266 H 0.02 -0.04 -0.14 -0.55 8.40 7.69 1zmcH1 ALA 266 HA 0.02 0.33 0.56 -0.75 4.34 4.50 1zmcH1 ALA 266 HB3 0.02 -0.03 0.07 -0.04 1.41 1.43 1zmcH1 GLU 267 H 0.02 0.64 0.46 -0.55 8.60 9.17 1zmcH1 GLU 267 HA 0.01 0.15 0.87 -0.75 4.29 4.56 1zmcH1 GLU 267 HB2 0.01 -0.05 -0.05 -0.04 2.09 1.97 1zmcH1 GLU 267 HB3 0.01 -0.04 0.07 -0.04 1.99 1.98 1zmcH1 GLU 267 HG2 0.01 -0.01 -0.16 -0.04 2.34 2.14 1zmcH1 GLU 267 HG3 0.01 0.37 -0.33 -0.04 2.34 2.36 1zmcH1 VAL 268 H 0.00 0.26 0.17 -0.55 8.24 8.13 1zmcH1 VAL 268 HA -0.00 0.29 1.03 -0.75 4.13 4.69 1zmcH1 VAL 268 HB -0.00 -0.02 0.01 -0.04 2.12 2.06 1zmcH1 VAL 268 HG13 -0.01 -0.01 -0.28 -0.04 0.97 0.63 1zmcH1 VAL 268 HG23 -0.00 -0.02 -0.24 -0.04 0.95 0.65 1zmcH1 ILE 269 H -0.01 0.66 0.32 -0.55 8.25 8.68 1zmcH1 ILE 269 HA -0.01 0.18 0.95 -0.75 4.18 4.54 1zmcH1 ILE 269 HB -0.02 -0.04 0.03 -0.04 1.89 1.82 1zmcH1 ILE 269 HG12 -0.00 0.06 -0.11 -0.04 1.49 1.40 1zmcH1 ILE 269 HG13 -0.00 -0.08 -0.32 -0.04 1.21 0.77 1zmcH1 ILE 269 HG23 -0.02 0.02 -0.14 -0.04 0.93 0.75 1zmcH1 ILE 269 HD13 0.00 -0.00 -0.15 -0.04 0.88 0.69 1zmcH1 THR 270 H -0.02 0.21 0.15 -0.55 8.28 8.07 1zmcH1 THR 270 HA -0.03 0.40 1.09 -0.75 4.39 5.09 1zmcH1 THR 270 HB -0.02 -0.00 0.07 -0.04 4.32 4.33 1zmcH1 THR 270 HG23 -0.03 -0.00 -0.12 -0.04 1.22 1.03 1zmcH1 CYS 271 H -0.04 0.53 0.32 -0.55 8.50 8.76 1zmcH1 CYS 271 HA -0.05 0.14 0.62 -0.75 4.58 4.54 1zmcH1 CYS 271 HB2 -0.07 0.06 -0.21 -0.04 2.97 2.72 1zmcH1 CYS 271 HB3 -0.05 0.04 -0.38 -0.04 2.97 2.54 1zmcH1 ASP 272 H -0.07 0.56 0.35 -0.55 8.40 8.69 1zmcH1 ASP 272 HA -0.06 0.14 0.89 -0.75 4.63 4.84 1zmcH1 ASP 272 HB2 -0.10 -0.01 0.27 -0.04 2.71 2.83 1zmcH1 ASP 272 HB3 -0.08 0.06 0.14 -0.04 2.70 2.78 1zmcH1 VAL 273 H -0.11 0.32 0.33 -0.55 8.24 8.23 1zmcH1 VAL 273 HA -0.11 0.36 1.09 -0.75 4.13 4.72 1zmcH1 VAL 273 HB -0.21 -0.04 0.08 -0.04 2.12 1.91 1zmcH1 VAL 273 HG13 -0.18 -0.02 -0.25 -0.04 0.97 0.48 1zmcH1 VAL 273 HG23 -0.21 0.00 -0.08 -0.04 0.95 0.63 1zmcH1 LEU 274 H -0.08 0.82 0.39 -0.55 8.37 8.96 1zmcH1 LEU 274 HA -0.07 0.27 1.08 -0.75 4.35 4.88 1zmcH1 LEU 274 HB2 -0.07 0.02 -0.10 -0.04 1.64 1.45 1zmcH1 LEU 274 HB3 -0.07 -0.07 0.16 -0.04 1.64 1.62 1zmcH1 LEU 274 HG -0.07 -0.06 -0.36 -0.04 1.64 1.11 1zmcH1 LEU 274 HD13 -0.07 0.07 -0.10 -0.04 0.93 0.79 1zmcH1 LEU 274 HD23 -0.11 -0.01 -0.16 -0.04 0.89 0.57 1zmcH1 LEU 275 H -0.04 0.71 0.26 -0.55 8.37 8.75 1zmcH1 LEU 275 HA -0.02 0.20 0.80 -0.75 4.35 4.59 1zmcH1 LEU 275 HB2 -0.02 0.02 -0.16 -0.04 1.64 1.44 1zmcH1 LEU 275 HB3 0.01 0.05 0.10 -0.04 1.64 1.76 1zmcH1 LEU 275 HG 0.06 -0.04 -0.37 -0.04 1.64 1.25 1zmcH1 LEU 275 HD13 0.04 0.02 -0.45 -0.04 0.93 0.50 1zmcH1 LEU 275 HD23 0.10 0.01 -0.17 -0.04 0.89 0.78 1zmcH1 VAL 276 H 0.00 0.60 0.20 -0.55 8.24 8.50 1zmcH1 VAL 276 HA 0.03 0.03 0.61 -0.75 4.13 4.05 1zmcH1 VAL 276 HB 0.05 -0.04 0.17 -0.04 2.12 2.26 1zmcH1 VAL 276 HG13 0.13 -0.02 -0.01 -0.04 0.97 1.03 1zmcH1 VAL 276 HG23 -0.02 0.04 -0.07 -0.04 0.95 0.86 1zmcH1 CYS 277 H 0.09 0.50 0.24 -0.55 8.50 8.77 1zmcH1 CYS 277 HA 0.08 0.05 0.85 -0.75 4.58 4.81 1zmcH1 CYS 277 HB2 0.08 0.07 -0.28 -0.04 2.97 2.80 1zmcH1 CYS 277 HB3 0.10 0.09 0.26 -0.04 2.97 3.38 1zmcH1 ILE 278 H 0.10 0.27 -0.00 -0.55 8.25 8.07 1zmcH1 ILE 278 HA 0.09 0.09 0.87 -0.75 4.18 4.47 1zmcH1 ILE 278 HB 0.05 0.01 0.20 -0.04 1.89 2.11 1zmcH1 ILE 278 HG12 0.13 -0.05 -0.03 -0.04 1.49 1.50 1zmcH1 ILE 278 HG13 0.05 0.05 -0.14 -0.04 1.21 1.14 1zmcH1 ILE 278 HG23 0.20 -0.02 -0.08 -0.04 0.93 0.99 1zmcH1 ILE 278 HD13 0.03 0.04 -0.19 -0.04 0.88 0.72 1zmcH1 GLY 279 H 0.07 0.02 -0.37 -0.55 8.43 7.60 1zmcH1 GLY 279 HA2 0.05 -0.10 0.34 -0.51 4.01 3.80 1zmcH1 GLY 279 HA3 0.04 0.30 0.86 -0.51 4.01 4.70 1zmcH1 ARG 280 H 0.04 0.19 0.25 -0.55 8.46 8.39 1zmcH1 ARG 280 HA 0.04 0.19 0.92 -0.75 4.34 4.73 1zmcH1 ARG 280 HB2 0.03 -0.04 0.03 -0.04 1.90 1.88 1zmcH1 ARG 280 HB3 0.03 0.05 0.05 -0.04 1.80 1.89 1zmcH1 ARG 280 HG2 0.03 0.02 -0.15 -0.04 1.67 1.53 1zmcH1 ARG 280 HG3 0.04 -0.15 -0.21 -0.04 1.67 1.31 1zmcH1 ARG 280 HD2 0.03 -0.03 -0.07 -0.04 3.22 3.10 1zmcH1 ARG 280 HD3 0.02 0.01 -0.05 -0.04 3.22 3.16 1zmcH1 ARG 281 H 0.05 0.49 0.29 -0.55 8.46 8.74 1zmcH1 ARG 281 HA 0.03 0.19 0.83 -0.75 4.34 4.65 1zmcH1 ARG 281 HB2 0.03 0.18 0.08 -0.04 1.90 2.15 1zmcH1 ARG 281 HB3 0.03 -0.01 -0.17 -0.04 1.80 1.61 1zmcH1 ARG 281 HG2 0.07 -0.03 -0.19 -0.04 1.67 1.48 1zmcH1 ARG 281 HG3 0.09 0.02 -0.24 -0.04 1.67 1.50 1zmcH1 ARG 281 HD2 0.03 0.07 -0.04 -0.04 3.22 3.24 1zmcH1 ARG 281 HD3 0.03 -0.04 -0.05 -0.04 3.22 3.12 1zmcH1 PRO 282 HA 0.08 0.10 0.51 -0.51 4.44 4.61 1zmcH1 PRO 282 HB2 0.03 0.11 0.01 -0.04 2.28 2.39 1zmcH1 PRO 282 HB3 0.03 0.13 0.11 -0.04 2.02 2.24 1zmcH1 PRO 282 HG2 0.02 0.03 0.08 -0.04 2.03 2.12 1zmcH1 PRO 282 HG3 0.02 -0.06 -0.36 -0.04 2.03 1.58 1zmcH1 PRO 282 HD2 0.03 0.12 0.25 -0.04 3.68 4.04 1zmcH1 PRO 282 HD3 0.02 0.11 0.14 -0.04 3.65 3.88 1zmcH1 PHE 283 H 0.19 0.53 0.18 -0.55 8.34 8.69 1zmcH1 PHE 283 HA 0.02 0.07 0.81 -0.75 4.62 4.76 1zmcH1 PHE 283 HB2 0.01 -0.10 -0.16 -0.04 3.15 2.85 1zmcH1 PHE 283 HB3 -0.00 0.17 -0.12 -0.04 3.06 3.07 1zmcH1 PHE 283 HD2 0.00 0.05 -0.09 -0.04 7.28 7.19 1zmcH1 PHE 283 HE2 -0.00 0.02 -0.03 -0.04 7.38 7.33 1zmcH1 PHE 283 HZ 0.14 0.03 -0.02 -0.04 7.32 7.43 1zmcH1 THR 284 H -0.40 0.06 0.19 -0.55 8.28 7.58 1zmcH1 THR 284 HA -0.12 0.19 0.71 -0.75 4.39 4.42 1zmcH1 THR 284 HB -0.06 -0.12 0.12 -0.04 4.32 4.21 1zmcH1 THR 284 HG23 -0.01 0.01 -0.23 -0.04 1.22 0.96 1zmcH1 LYS 285 H -0.84 0.01 0.12 -0.55 8.42 7.16 1zmcH1 LYS 285 HA -0.16 -0.05 0.33 -0.75 4.32 3.69 1zmcH1 LYS 285 HB2 -0.31 0.03 0.09 -0.04 1.87 1.63 1zmcH1 LYS 285 HB3 -0.09 0.05 0.05 -0.04 1.79 1.75 1zmcH1 LYS 285 HG2 -0.16 0.03 0.09 -0.04 1.46 1.38 1zmcH1 LYS 285 HG3 -0.55 -0.08 0.14 -0.04 1.46 0.92 1zmcH1 LYS 285 HD2 0.12 -0.00 0.02 -0.04 1.69 1.79 1zmcH1 LYS 285 HD3 0.01 0.03 0.02 -0.04 1.68 1.70 1zmcH1 LYS 285 HE2 0.18 -0.01 0.02 -0.04 2.99 3.14 1zmcH1 LYS 285 HE3 0.09 0.02 0.02 -0.04 2.99 3.08 1zmcH1 ASN 286 H -0.05 0.07 0.21 -0.55 8.53 8.22 1zmcH1 ASN 286 HA -0.00 -0.07 0.42 -0.75 4.76 4.35 1zmcH1 ASN 286 HB2 -0.01 0.16 -0.10 -0.04 2.88 2.88 1zmcH1 ASN 286 HB3 -0.05 0.05 0.17 -0.04 2.79 2.91 1zmcH1 ASN 286 HD21 -0.05 0.02 -0.03 -0.04 7.03 6.92 1zmcH1 ASN 286 HD22 -0.10 0.05 -0.13 -0.04 7.74 7.52 1zmcH1 LEU 287 H 0.00 0.07 0.05 -0.55 8.37 7.95 1zmcH1 LEU 287 HA 0.09 0.32 0.84 -0.75 4.35 4.86 1zmcH1 LEU 287 HB2 0.00 0.19 0.04 -0.04 1.64 1.83 1zmcH1 LEU 287 HB3 -0.00 -0.15 0.12 -0.04 1.64 1.56 1zmcH1 LEU 287 HG 0.02 -0.05 0.05 -0.04 1.64 1.62 1zmcH1 LEU 287 HD13 0.03 0.02 0.06 -0.04 0.93 1.00 1zmcH1 LEU 287 HD23 0.01 -0.01 0.05 -0.04 0.89 0.90 1zmcH1 GLY 288 H 0.01 -0.07 0.06 -0.55 8.43 7.89 1zmcH1 GLY 288 HA2 0.00 -0.01 0.28 -0.51 4.01 3.77 1zmcH1 GLY 288 HA3 0.01 0.41 0.67 -0.51 4.01 4.60 1zmcH1 LEU 289 H -0.00 0.02 -0.04 -0.55 8.37 7.80 1zmcH1 LEU 289 HA -0.00 0.15 0.33 -0.75 4.35 4.08 1zmcH1 LEU 289 HB2 -0.02 -0.08 0.11 -0.04 1.64 1.61 1zmcH1 LEU 289 HB3 -0.01 0.22 0.01 -0.04 1.64 1.82 1zmcH1 LEU 289 HG -0.01 -0.11 -0.01 -0.04 1.64 1.48 1zmcH1 LEU 289 HD13 -0.01 0.02 -0.03 -0.04 0.93 0.87 1zmcH1 LEU 289 HD23 0.00 0.02 -0.06 -0.04 0.89 0.81 1zmcH1 GLU 290 H -0.01 0.03 -0.04 -0.55 8.60 8.04 1zmcH1 GLU 290 HA -0.01 0.17 0.39 -0.75 4.29 4.08 1zmcH1 GLU 290 HB2 -0.01 0.01 0.08 -0.04 2.09 2.13 1zmcH1 GLU 290 HB3 -0.01 -0.06 0.06 -0.04 1.99 1.93 1zmcH1 GLU 290 HG2 -0.01 0.05 -0.24 -0.04 2.34 2.11 1zmcH1 GLU 290 HG3 -0.01 0.03 -0.00 -0.04 2.34 2.32 1zmcH1 GLU 291 H -0.01 -0.03 -0.28 -0.55 8.60 7.73 1zmcH1 GLU 291 HA -0.01 0.05 0.34 -0.75 4.29 3.92 1zmcH1 GLU 291 HB2 -0.00 0.19 0.06 -0.04 2.09 2.30 1zmcH1 GLU 291 HB3 -0.00 0.05 0.02 -0.04 1.99 2.02 1zmcH1 GLU 291 HG2 -0.01 0.04 0.01 -0.04 2.34 2.34 1zmcH1 GLU 291 HG3 -0.01 -0.19 0.01 -0.04 2.34 2.11 1zmcH1 LEU 292 H -0.00 0.19 -0.45 -0.55 8.37 7.57 1zmcH1 LEU 292 HA -0.00 0.07 0.48 -0.75 4.35 4.14 1zmcH1 LEU 292 HB2 -0.00 0.17 0.03 -0.04 1.64 1.80 1zmcH1 LEU 292 HB3 -0.00 -0.04 0.05 -0.04 1.64 1.61 1zmcH1 LEU 292 HG -0.01 -0.03 -0.03 -0.04 1.64 1.53 1zmcH1 LEU 292 HD13 -0.00 0.01 -0.11 -0.04 0.93 0.78 1zmcH1 LEU 292 HD23 -0.00 -0.01 -0.10 -0.04 0.89 0.74 1zmcH1 GLY 293 H -0.01 0.26 -0.26 -0.55 8.43 7.88 1zmcH1 GLY 293 HA2 -0.01 0.03 0.26 -0.51 4.01 3.77 1zmcH1 GLY 293 HA3 -0.01 0.14 0.67 -0.51 4.01 4.29 1zmcH1 ILE 294 H -0.01 0.46 0.01 -0.55 8.25 8.16 1zmcH1 ILE 294 HA -0.01 0.11 0.78 -0.75 4.18 4.30 1zmcH1 ILE 294 HB -0.01 -0.10 0.11 -0.04 1.89 1.86 1zmcH1 ILE 294 HG12 -0.02 -0.06 -0.04 -0.04 1.49 1.33 1zmcH1 ILE 294 HG13 -0.01 0.05 -0.23 -0.04 1.21 0.98 1zmcH1 ILE 294 HG23 -0.01 0.00 -0.13 -0.04 0.93 0.75 1zmcH1 ILE 294 HD13 -0.01 -0.00 -0.04 -0.04 0.88 0.79 1zmcH1 GLU 295 H -0.01 0.20 0.16 -0.55 8.60 8.41 1zmcH1 GLU 295 HA -0.01 0.02 0.55 -0.75 4.29 4.09 1zmcH1 GLU 295 HB2 -0.01 -0.01 0.14 -0.04 2.09 2.17 1zmcH1 GLU 295 HB3 -0.01 0.12 -0.07 -0.04 1.99 1.99 1zmcH1 GLU 295 HG2 -0.01 -0.03 0.02 -0.04 2.34 2.28 1zmcH1 GLU 295 HG3 -0.01 0.03 -0.03 -0.04 2.34 2.29 1zmcH1 LEU 296 H -0.01 0.06 0.14 -0.55 8.37 8.01 1zmcH1 LEU 296 HA -0.00 0.27 0.68 -0.75 4.35 4.54 1zmcH1 LEU 296 HB2 -0.01 -0.03 0.03 -0.04 1.64 1.58 1zmcH1 LEU 296 HB3 -0.01 -0.08 -0.08 -0.04 1.64 1.43 1zmcH1 LEU 296 HG -0.01 -0.01 -0.14 -0.04 1.64 1.43 1zmcH1 LEU 296 HD13 -0.02 -0.01 -0.07 -0.04 0.93 0.78 1zmcH1 LEU 296 HD23 -0.01 0.03 -0.39 -0.04 0.89 0.48 1zmcH1 ASP 297 H -0.00 0.37 0.20 -0.55 8.40 8.43 1zmcH1 ASP 297 HA -0.00 0.20 0.59 -0.75 4.63 4.66 1zmcH1 ASP 297 HB2 -0.00 0.04 0.16 -0.04 2.71 2.87 1zmcH1 ASP 297 HB3 -0.00 0.09 0.08 -0.04 2.70 2.83 1zmcH1 PRO 298 HA -0.01 0.14 0.45 -0.51 4.44 4.51 1zmcH1 PRO 298 HB2 -0.01 0.04 0.01 -0.04 2.28 2.29 1zmcH1 PRO 298 HB3 -0.01 0.06 0.13 -0.04 2.02 2.16 1zmcH1 PRO 298 HG2 -0.00 -0.04 0.09 -0.04 2.03 2.03 1zmcH1 PRO 298 HG3 -0.00 0.07 0.08 -0.04 2.03 2.14 1zmcH1 PRO 298 HD2 -0.00 0.07 0.23 -0.04 3.68 3.93 1zmcH1 PRO 298 HD3 -0.00 0.18 0.18 -0.04 3.65 3.97 1zmcH1 ARG 299 H -0.00 0.04 -0.30 -0.55 8.46 7.65 1zmcH1 ARG 299 HA -0.00 0.21 0.67 -0.75 4.34 4.47 1zmcH1 ARG 299 HB2 -0.00 -0.05 0.02 -0.04 1.90 1.82 1zmcH1 ARG 299 HB3 0.00 0.04 0.13 -0.04 1.80 1.93 1zmcH1 ARG 299 HG2 -0.00 0.04 0.01 -0.04 1.67 1.68 1zmcH1 ARG 299 HG3 -0.00 -0.04 -0.13 -0.04 1.67 1.46 1zmcH1 ARG 299 HD2 -0.00 0.01 -0.01 -0.04 3.22 3.17 1zmcH1 ARG 299 HD3 -0.00 -0.02 -0.01 -0.04 3.22 3.15 1zmcH1 GLY 300 H -0.00 0.48 -0.47 -0.55 8.43 7.89 1zmcH1 GLY 300 HA2 -0.01 0.03 0.22 -0.51 4.01 3.74 1zmcH1 GLY 300 HA3 -0.00 0.12 0.49 -0.51 4.01 4.11 1zmcH1 ARG 301 H 0.00 -0.09 -0.14 -0.55 8.46 7.68 1zmcH1 ARG 301 HA 0.01 0.33 0.79 -0.75 4.34 4.72 1zmcH1 ARG 301 HB2 0.00 -0.15 -0.11 -0.04 1.90 1.61 1zmcH1 ARG 301 HB3 0.01 0.06 -0.12 -0.04 1.80 1.71 1zmcH1 ARG 301 HG2 0.01 0.17 -0.27 -0.04 1.67 1.55 1zmcH1 ARG 301 HG3 0.01 -0.06 -0.35 -0.04 1.67 1.22 1zmcH1 ARG 301 HD2 -0.01 0.07 -0.48 -0.04 3.22 2.77 1zmcH1 ARG 301 HD3 -0.00 0.01 -0.15 -0.04 3.22 3.04 1zmcH1 ILE 302 H 0.02 0.58 0.23 -0.55 8.25 8.53 1zmcH1 ILE 302 HA 0.01 0.17 0.60 -0.75 4.18 4.20 1zmcH1 ILE 302 HB 0.04 -0.05 0.01 -0.04 1.89 1.85 1zmcH1 ILE 302 HG12 0.01 0.02 -0.10 -0.04 1.49 1.37 1zmcH1 ILE 302 HG13 0.02 0.04 -0.03 -0.04 1.21 1.19 1zmcH1 ILE 302 HG23 0.02 0.02 -0.24 -0.04 0.93 0.69 1zmcH1 ILE 302 HD13 0.02 -0.02 -0.05 -0.04 0.88 0.79 1zmcH1 PRO 303 HA 0.01 -0.03 0.51 -0.51 4.44 4.42 1zmcH1 PRO 303 HB2 -0.01 0.01 0.06 -0.04 2.28 2.30 1zmcH1 PRO 303 HB3 -0.00 -0.00 0.04 -0.04 2.02 2.02 1zmcH1 PRO 303 HG2 -0.00 0.09 0.03 -0.04 2.03 2.10 1zmcH1 PRO 303 HG3 -0.00 -0.07 -0.00 -0.04 2.03 1.91 1zmcH1 PRO 303 HD2 -0.00 0.11 0.25 -0.04 3.68 4.00 1zmcH1 PRO 303 HD3 0.00 0.26 0.45 -0.04 3.65 4.32 1zmcH1 VAL 304 H 0.01 0.15 0.23 -0.55 8.24 8.07 1zmcH1 VAL 304 HA -0.01 0.43 0.78 -0.75 4.13 4.58 1zmcH1 VAL 304 HB 0.06 -0.18 -0.15 -0.04 2.12 1.81 1zmcH1 VAL 304 HG13 0.11 0.04 -0.43 -0.04 0.97 0.64 1zmcH1 VAL 304 HG23 0.12 0.01 -0.04 -0.04 0.95 1.00 1zmcH1 ASN 305 H -0.05 0.38 0.22 -0.55 8.53 8.52 1zmcH1 ASN 305 HA -0.07 0.20 0.75 -0.75 4.76 4.89 1zmcH1 ASN 305 HB2 -0.05 -0.12 0.25 -0.04 2.88 2.92 1zmcH1 ASN 305 HB3 -0.04 0.13 0.10 -0.04 2.79 2.94 1zmcH1 ASN 305 HD21 -0.04 0.09 0.02 -0.04 7.03 7.06 1zmcH1 ASN 305 HD22 -0.04 0.06 0.03 -0.04 7.74 7.76 1zmcH1 THR 306 H -0.09 0.19 0.19 -0.55 8.28 8.03 1zmcH1 THR 306 HA -0.30 0.10 0.41 -0.75 4.39 3.86 1zmcH1 THR 306 HB -0.06 0.11 0.18 -0.04 4.32 4.51 1zmcH1 THR 306 HG23 -0.05 -0.01 0.11 -0.04 1.22 1.23 1zmcH1 ARG 307 H -0.06 -0.03 -0.33 -0.55 8.46 7.49 1zmcH1 ARG 307 HA 0.10 0.23 0.74 -0.75 4.34 4.66 1zmcH1 ARG 307 HB2 0.11 -0.05 -0.00 -0.04 1.90 1.92 1zmcH1 ARG 307 HB3 0.20 0.13 0.10 -0.04 1.80 2.18 1zmcH1 ARG 307 HG2 0.06 0.07 -0.08 -0.04 1.67 1.68 1zmcH1 ARG 307 HG3 0.02 -0.16 -0.03 -0.04 1.67 1.45 1zmcH1 ARG 307 HD2 0.04 -0.02 -0.00 -0.04 3.22 3.20 1zmcH1 ARG 307 HD3 0.06 -0.01 0.00 -0.04 3.22 3.23 1zmcH1 PHE 308 H -0.25 0.38 -0.42 -0.55 8.34 7.50 1zmcH1 PHE 308 HA 0.08 0.07 0.26 -0.75 4.62 4.29 1zmcH1 PHE 308 HB2 0.20 0.26 0.14 -0.04 3.15 3.71 1zmcH1 PHE 308 HB3 0.15 0.03 0.27 -0.04 3.06 3.47 1zmcH1 PHE 308 HD2 0.07 0.10 -0.16 -0.04 7.28 7.25 1zmcH1 PHE 308 HE2 0.06 -0.05 -0.08 -0.04 7.38 7.27 1zmcH1 PHE 308 HZ 0.04 -0.10 -0.06 -0.04 7.32 7.16 1zmcH1 GLN 309 H 0.01 -0.14 -0.11 -0.55 8.47 7.68 1zmcH1 GLN 309 HA -0.51 0.27 0.65 -0.75 4.36 4.01 1zmcH1 GLN 309 HB2 -0.10 -0.24 0.08 -0.04 2.15 1.85 1zmcH1 GLN 309 HB3 -0.23 0.19 -0.06 -0.04 2.02 1.88 1zmcH1 GLN 309 HG2 -0.71 0.31 0.02 -0.04 2.40 1.98 1zmcH1 GLN 309 HG3 -0.04 -0.08 -0.16 -0.04 2.39 2.07 1zmcH1 GLN 309 HE21 -0.02 -0.09 0.03 -0.04 6.97 6.85 1zmcH1 GLN 309 HE22 -0.11 0.39 0.11 -0.04 7.69 8.04 1zmcH1 THR 310 H -0.19 0.79 0.31 -0.55 8.28 8.64 1zmcH1 THR 310 HA -0.03 0.32 0.62 -0.75 4.39 4.55 1zmcH1 THR 310 HB -0.03 -0.11 0.17 -0.04 4.32 4.31 1zmcH1 THR 310 HG23 -0.01 0.08 -0.16 -0.04 1.22 1.08 1zmcH1 LYS 311 H -0.03 0.13 0.13 -0.55 8.42 8.10 1zmcH1 LYS 311 HA -0.04 0.06 0.41 -0.75 4.32 4.00 1zmcH1 LYS 311 HB2 -0.02 -0.04 0.12 -0.04 1.87 1.88 1zmcH1 LYS 311 HB3 -0.02 0.04 0.01 -0.04 1.79 1.77 1zmcH1 LYS 311 HG2 -0.02 -0.00 0.07 -0.04 1.46 1.47 1zmcH1 LYS 311 HG3 -0.02 -0.00 0.09 -0.04 1.46 1.48 1zmcH1 LYS 311 HD2 -0.01 0.03 0.16 -0.04 1.69 1.82 1zmcH1 LYS 311 HD3 -0.01 0.02 0.07 -0.04 1.68 1.72 1zmcH1 LYS 311 HE2 -0.01 -0.02 0.04 -0.04 2.99 2.96 1zmcH1 LYS 311 HE3 -0.01 -0.01 0.06 -0.04 2.99 2.99 1zmcH1 ILE 312 H -0.05 0.00 -0.31 -0.55 8.25 7.34 1zmcH1 ILE 312 HA -0.05 0.20 0.75 -0.75 4.18 4.32 1zmcH1 ILE 312 HB -0.05 -0.05 0.13 -0.04 1.89 1.88 1zmcH1 ILE 312 HG12 -0.02 0.07 -0.05 -0.04 1.49 1.45 1zmcH1 ILE 312 HG13 -0.03 -0.12 -0.15 -0.04 1.21 0.88 1zmcH1 ILE 312 HG23 -0.03 -0.03 -0.05 -0.04 0.93 0.77 1zmcH1 ILE 312 HD13 -0.02 0.05 -0.03 -0.04 0.88 0.84 1zmcH1 PRO 313 HA -0.16 0.07 0.35 -0.51 4.44 4.18 1zmcH1 PRO 313 HB2 -0.04 0.00 0.08 -0.04 2.28 2.28 1zmcH1 PRO 313 HB3 -0.05 0.03 0.08 -0.04 2.02 2.04 1zmcH1 PRO 313 HG2 -0.03 0.01 0.11 -0.04 2.03 2.08 1zmcH1 PRO 313 HG3 -0.05 0.07 0.11 -0.04 2.03 2.12 1zmcH1 PRO 313 HD2 -0.04 0.05 0.19 -0.04 3.68 3.84 1zmcH1 PRO 313 HD3 -0.05 0.38 0.41 -0.04 3.65 4.35 1zmcH1 ASN 314 H -0.06 0.08 -0.15 -0.55 8.53 7.85 1zmcH1 ASN 314 HA 0.04 0.16 0.71 -0.75 4.76 4.92 1zmcH1 ASN 314 HB2 0.03 0.29 0.40 -0.04 2.88 3.56 1zmcH1 ASN 314 HB3 0.01 -0.08 0.14 -0.04 2.79 2.82 1zmcH1 ASN 314 HD21 0.00 0.61 0.17 -0.04 7.03 7.78 1zmcH1 ASN 314 HD22 0.01 0.17 0.06 -0.04 7.74 7.94 1zmcH1 ILE 315 H -0.19 0.52 -0.21 -0.55 8.25 7.81 1zmcH1 ILE 315 HA 0.06 0.26 1.18 -0.75 4.18 4.93 1zmcH1 ILE 315 HB -0.06 -0.01 0.17 -0.04 1.89 1.95 1zmcH1 ILE 315 HG12 0.01 0.06 -0.05 -0.04 1.49 1.47 1zmcH1 ILE 315 HG13 -0.02 -0.07 -0.21 -0.04 1.21 0.86 1zmcH1 ILE 315 HG23 0.01 -0.03 -0.10 -0.04 0.93 0.76 1zmcH1 ILE 315 HD13 -0.01 -0.02 -0.04 -0.04 0.88 0.78 1zmcH1 TYR 316 H 0.26 0.70 0.45 -0.55 8.29 9.15 1zmcH1 TYR 316 HA 0.05 0.25 1.20 -0.75 4.56 5.32 1zmcH1 TYR 316 HB2 0.01 -0.16 0.05 -0.04 3.06 2.92 1zmcH1 TYR 316 HB3 0.09 0.12 0.13 -0.04 2.98 3.28 1zmcH1 TYR 316 HD2 0.06 0.07 -0.25 -0.04 7.15 7.00 1zmcH1 TYR 316 HE2 0.02 -0.01 -0.11 -0.04 6.85 6.71 1zmcH1 ALA 317 H 0.23 0.60 0.28 -0.55 8.40 8.96 1zmcH1 ALA 317 HA 0.07 0.25 0.92 -0.75 4.34 4.84 1zmcH1 ALA 317 HB3 0.08 -0.01 -0.08 -0.04 1.41 1.36 1zmcH1 ILE 318 H 0.02 0.58 0.35 -0.55 8.25 8.65 1zmcH1 ILE 318 HA -0.03 0.21 0.67 -0.75 4.18 4.28 1zmcH1 ILE 318 HB -0.25 -0.09 -0.01 -0.04 1.89 1.50 1zmcH1 ILE 318 HG12 -0.06 0.09 -0.21 -0.04 1.49 1.26 1zmcH1 ILE 318 HG13 -0.06 -0.18 -0.25 -0.04 1.21 0.68 1zmcH1 ILE 318 HG23 -0.40 0.04 -0.31 -0.04 0.93 0.22 1zmcH1 ILE 318 HD13 -0.12 0.01 -0.19 -0.04 0.88 0.54 1zmcH1 GLY 319 H -0.06 0.25 0.12 -0.55 8.43 8.19 1zmcH1 GLY 319 HA2 -0.04 -0.00 0.34 -0.51 4.01 3.79 1zmcH1 GLY 319 HA3 -0.03 -0.03 0.72 -0.51 4.01 4.16 1zmcH1 ASP 320 H -0.01 -0.01 0.15 -0.55 8.40 7.99 1zmcH1 ASP 320 HA -0.01 0.18 0.32 -0.75 4.63 4.36 1zmcH1 ASP 320 HB2 0.01 -0.20 -0.00 -0.04 2.71 2.47 1zmcH1 ASP 320 HB3 0.02 0.13 -0.27 -0.04 2.70 2.54 1zmcH1 VAL 321 H 0.02 -0.04 -0.43 -0.55 8.24 7.24 1zmcH1 VAL 321 HA 0.04 0.14 0.52 -0.75 4.13 4.07 1zmcH1 VAL 321 HB 0.05 -0.19 0.06 -0.04 2.12 2.00 1zmcH1 VAL 321 HG13 0.04 0.05 -0.23 -0.04 0.97 0.79 1zmcH1 VAL 321 HG23 0.04 -0.01 0.02 -0.04 0.95 0.96 1zmcH1 VAL 322 H 0.03 0.30 -0.51 -0.55 8.24 7.50 1zmcH1 VAL 322 HA 0.04 0.14 0.84 -0.75 4.13 4.39 1zmcH1 VAL 322 HB 0.11 -0.06 0.10 -0.04 2.12 2.23 1zmcH1 VAL 322 HG13 0.11 0.06 -0.36 -0.04 0.97 0.74 1zmcH1 VAL 322 HG23 0.14 0.08 -0.17 -0.04 0.95 0.96 1zmcH1 ALA 323 H 0.02 0.11 0.06 -0.55 8.40 8.04 1zmcH1 ALA 323 HA -0.05 0.12 0.43 -0.75 4.34 4.08 1zmcH1 ALA 323 HB3 -0.04 -0.02 0.06 -0.04 1.41 1.37 1zmcH1 GLY 324 H -0.16 0.03 0.10 -0.55 8.43 7.85 1zmcH1 GLY 324 HA2 -0.51 -0.03 0.31 -0.51 4.01 3.27 1zmcH1 GLY 324 HA3 -0.71 0.21 0.74 -0.51 4.01 3.74 1zmcH1 PRO 325 HA -0.05 -0.00 0.41 -0.51 4.44 4.29 1zmcH1 PRO 325 HB2 -0.07 -0.07 0.01 -0.04 2.28 2.11 1zmcH1 PRO 325 HB3 -0.02 0.04 0.04 -0.04 2.02 2.03 1zmcH1 PRO 325 HG2 0.03 0.14 0.10 -0.04 2.03 2.26 1zmcH1 PRO 325 HG3 -0.01 0.05 0.07 -0.04 2.03 2.10 1zmcH1 PRO 325 HD2 -0.13 0.10 0.18 -0.04 3.68 3.78 1zmcH1 PRO 325 HD3 -0.34 0.08 0.22 -0.04 3.65 3.57 1zmcH1 MET 326 H -0.03 0.12 0.11 -0.55 8.47 8.12 1zmcH1 MET 326 HA -0.05 0.18 0.51 -0.75 4.52 4.41 1zmcH1 MET 326 HB2 -0.00 -0.07 0.21 -0.04 2.15 2.25 1zmcH1 MET 326 HB3 -0.01 -0.10 0.12 -0.04 2.03 2.01 1zmcH1 MET 326 HG2 -0.01 0.11 -0.00 -0.04 2.63 2.68 1zmcH1 MET 326 HG3 -0.02 0.11 0.02 -0.04 2.56 2.63 1zmcH1 MET 326 HE3 0.02 -0.03 -0.20 -0.04 2.10 1.85 1zmcH1 LEU 327 H -0.11 0.56 -0.13 -0.55 8.37 8.14 1zmcH1 LEU 327 HA -0.08 0.13 0.79 -0.75 4.35 4.44 1zmcH1 LEU 327 HB2 -0.38 0.05 -0.01 -0.04 1.64 1.25 1zmcH1 LEU 327 HB3 -0.39 -0.05 0.08 -0.04 1.64 1.24 1zmcH1 LEU 327 HG -0.08 -0.12 -0.43 -0.04 1.64 0.96 1zmcH1 LEU 327 HD13 -0.06 0.05 -0.01 -0.04 0.93 0.87 1zmcH1 LEU 327 HD23 -0.01 0.04 -0.04 -0.04 0.89 0.84 1zmcH1 ALA 328 H -0.05 0.21 0.17 -0.55 8.40 8.19 1zmcH1 ALA 328 HA -0.05 0.03 0.52 -0.75 4.34 4.09 1zmcH1 ALA 328 HB3 0.04 0.03 0.13 -0.04 1.41 1.57 1zmcH1 HIS 329 H -0.06 0.16 -0.00 -0.55 8.41 7.96 1zmcH1 HIS 329 HA -0.03 0.12 0.39 -0.75 4.63 4.35 1zmcH1 HIS 329 HB2 -0.03 0.11 0.03 -0.04 3.26 3.34 1zmcH1 HIS 329 HB3 -0.02 0.04 0.08 -0.04 3.20 3.26 1zmcH1 HIS 329 HD2 -0.04 0.07 -0.07 -0.04 6.97 6.89 1zmcH1 HIS 329 HE1 -0.05 -0.05 0.04 -0.04 7.75 7.65 1zmcH1 LYS 330 H -0.50 -0.00 -0.56 -0.55 8.42 6.81 1zmcH1 LYS 330 HA -0.04 0.13 0.37 -0.75 4.32 4.03 1zmcH1 LYS 330 HB2 -0.20 -0.01 0.03 -0.04 1.87 1.66 1zmcH1 LYS 330 HB3 -0.16 0.07 0.09 -0.04 1.79 1.75 1zmcH1 LYS 330 HG2 0.15 -0.04 0.00 -0.04 1.46 1.53 1zmcH1 LYS 330 HG3 0.03 0.04 0.03 -0.04 1.46 1.51 1zmcH1 LYS 330 HD2 -0.05 0.03 -0.12 -0.04 1.69 1.51 1zmcH1 LYS 330 HD3 0.02 -0.15 -0.54 -0.04 1.68 0.97 1zmcH1 LYS 330 HE2 0.19 -0.07 -0.05 -0.04 2.99 3.03 1zmcH1 LYS 330 HE3 -0.16 -0.08 -0.16 -0.04 2.99 2.56 1zmcH1 ALA 331 H -0.11 0.31 -0.14 -0.55 8.40 7.92 1zmcH1 ALA 331 HA -0.07 0.02 0.41 -0.75 4.34 3.94 1zmcH1 ALA 331 HB3 -0.06 -0.01 0.10 -0.04 1.41 1.40 1zmcH1 GLU 332 H -0.07 0.49 -0.28 -0.55 8.60 8.20 1zmcH1 GLU 332 HA -0.13 0.09 0.29 -0.75 4.29 3.79 1zmcH1 GLU 332 HB2 -0.03 0.07 0.14 -0.04 2.09 2.22 1zmcH1 GLU 332 HB3 -0.08 0.04 -0.04 -0.04 1.99 1.87 1zmcH1 GLU 332 HG2 -0.15 0.16 -0.11 -0.04 2.34 2.20 1zmcH1 GLU 332 HG3 -0.05 0.12 -0.06 -0.04 2.34 2.32 1zmcH1 ASP 333 H -0.04 0.57 -0.10 -0.55 8.40 8.29 1zmcH1 ASP 333 HA -0.05 0.02 0.34 -0.75 4.63 4.19 1zmcH1 ASP 333 HB2 -0.01 0.07 0.15 -0.04 2.71 2.87 1zmcH1 ASP 333 HB3 -0.03 0.01 -0.02 -0.04 2.70 2.62 1zmcH1 GLU 334 H -0.10 0.45 -0.27 -0.55 8.60 8.14 1zmcH1 GLU 334 HA -0.28 0.04 0.33 -0.75 4.29 3.63 1zmcH1 GLU 334 HB2 -0.22 -0.01 0.17 -0.04 2.09 1.98 1zmcH1 GLU 334 HB3 -0.76 0.00 0.03 -0.04 1.99 1.22 1zmcH1 GLU 334 HG2 0.00 0.03 -0.00 -0.04 2.34 2.33 1zmcH1 GLU 334 HG3 0.04 0.05 0.04 -0.04 2.34 2.42 1zmcH1 GLY 335 H -0.17 0.43 -0.24 -0.55 8.43 7.91 1zmcH1 GLY 335 HA2 -0.19 0.01 0.40 -0.51 4.01 3.72 1zmcH1 GLY 335 HA3 -0.14 0.07 0.35 -0.51 4.01 3.78 1zmcH1 ILE 336 H -0.10 0.46 -0.05 -0.55 8.25 8.00 1zmcH1 ILE 336 HA -0.05 0.04 0.38 -0.75 4.18 3.79 1zmcH1 ILE 336 HB -0.05 0.07 0.15 -0.04 1.89 2.01 1zmcH1 ILE 336 HG12 -0.05 0.03 -0.02 -0.04 1.49 1.41 1zmcH1 ILE 336 HG13 -0.08 -0.01 -0.04 -0.04 1.21 1.04 1zmcH1 ILE 336 HG23 -0.02 0.00 -0.15 -0.04 0.93 0.72 1zmcH1 ILE 336 HD13 -0.05 -0.02 -0.07 -0.04 0.88 0.70 1zmcH1 ILE 337 H -0.06 0.57 -0.04 -0.55 8.25 8.17 1zmcH1 ILE 337 HA 0.01 0.04 0.36 -0.75 4.18 3.83 1zmcH1 ILE 337 HB 0.08 -0.04 0.04 -0.04 1.89 1.93 1zmcH1 ILE 337 HG12 -0.07 0.18 0.10 -0.04 1.49 1.65 1zmcH1 ILE 337 HG13 0.11 0.09 -0.19 -0.04 1.21 1.18 1zmcH1 ILE 337 HG23 0.01 0.02 0.02 -0.04 0.93 0.93 1zmcH1 ILE 337 HD13 0.13 -0.05 -0.21 -0.04 0.88 0.70 1zmcH1 CYS 338 H -0.13 0.45 -0.39 -0.55 8.50 7.88 1zmcH1 CYS 338 HA 0.09 0.10 0.44 -0.75 4.58 4.46 1zmcH1 CYS 338 HB2 -0.30 0.02 0.08 -0.04 2.97 2.73 1zmcH1 CYS 338 HB3 -0.19 0.05 0.17 -0.04 2.97 2.95 1zmcH1 VAL 339 H -0.08 0.55 -0.05 -0.55 8.24 8.10 1zmcH1 VAL 339 HA -0.12 0.07 0.52 -0.75 4.13 3.84 1zmcH1 VAL 339 HB 0.11 -0.04 0.02 -0.04 2.12 2.18 1zmcH1 VAL 339 HG13 -0.10 0.04 -0.01 -0.04 0.97 0.86 1zmcH1 VAL 339 HG23 -0.00 0.07 0.02 -0.04 0.95 0.99 1zmcH1 GLU 340 H 0.00 0.47 -0.20 -0.55 8.60 8.32 1zmcH1 GLU 340 HA 0.03 0.06 0.39 -0.75 4.29 4.02 1zmcH1 GLU 340 HB2 0.02 0.11 0.09 -0.04 2.09 2.27 1zmcH1 GLU 340 HB3 0.02 -0.06 0.01 -0.04 1.99 1.91 1zmcH1 GLU 340 HG2 0.00 -0.02 -0.02 -0.04 2.34 2.26 1zmcH1 GLU 340 HG3 -0.00 0.37 -0.03 -0.04 2.34 2.63 1zmcH1 GLY 341 H 0.03 0.44 -0.40 -0.55 8.43 7.95 1zmcH1 GLY 341 HA2 0.06 0.14 0.35 -0.51 4.01 4.04 1zmcH1 GLY 341 HA3 0.07 0.09 0.22 -0.51 4.01 3.88 1zmcH1 MET 342 H -0.00 0.21 -0.44 -0.55 8.47 7.69 1zmcH1 MET 342 HA 0.03 0.04 0.46 -0.75 4.52 4.30 1zmcH1 MET 342 HB2 0.02 0.20 0.21 -0.04 2.15 2.54 1zmcH1 MET 342 HB3 -0.17 -0.06 0.01 -0.04 2.03 1.77 1zmcH1 MET 342 HG2 -0.38 -0.01 0.00 -0.04 2.63 2.20 1zmcH1 MET 342 HG3 -0.45 0.26 0.05 -0.04 2.56 2.38 1zmcH1 MET 342 HE3 -0.77 -0.01 -0.19 -0.04 2.10 1.09 1zmcH1 ALA 343 H 0.18 0.38 -0.26 -0.55 8.40 8.15 1zmcH1 ALA 343 HA 0.17 0.05 0.46 -0.75 4.34 4.27 1zmcH1 ALA 343 HB3 -0.05 -0.00 0.13 -0.04 1.41 1.45 1zmcH1 GLY 344 H 0.08 0.28 -1.10 -0.55 8.43 7.14 1zmcH1 GLY 344 HA2 0.05 0.03 0.25 -0.51 4.01 3.84 1zmcH1 GLY 344 HA3 0.04 0.03 0.57 -0.51 4.01 4.15 1zmcH1 GLY 345 H 0.04 0.56 0.05 -0.55 8.43 8.54 1zmcH1 GLY 345 HA2 0.02 0.05 0.52 -0.51 4.01 4.09 1zmcH1 GLY 345 HA3 0.03 -0.01 0.20 -0.51 4.01 3.72 1zmcH1 ALA 346 H 0.03 0.03 0.12 -0.55 8.40 8.04 1zmcH1 ALA 346 HA 0.03 0.10 0.52 -0.75 4.34 4.24 1zmcH1 ALA 346 HB3 0.02 -0.01 0.05 -0.04 1.41 1.43 1zmcH1 VAL 347 H 0.06 0.16 0.06 -0.55 8.24 7.97 1zmcH1 VAL 347 HA 0.09 0.17 0.89 -0.75 4.13 4.52 1zmcH1 VAL 347 HB 0.07 -0.08 0.09 -0.04 2.12 2.16 1zmcH1 VAL 347 HG13 0.20 -0.03 -0.09 -0.04 0.97 1.00 1zmcH1 VAL 347 HG23 0.10 0.07 -0.19 -0.04 0.95 0.89 1zmcH1 HIS 348 H 0.10 0.23 0.02 -0.55 8.41 8.22 1zmcH1 HIS 348 HA -0.02 0.15 0.80 -0.75 4.63 4.81 1zmcH1 HIS 348 HB2 -0.01 0.05 -0.27 -0.04 3.26 2.99 1zmcH1 HIS 348 HB3 -0.02 -0.01 -0.03 -0.04 3.20 3.10 1zmcH1 HIS 348 HD2 -0.04 -0.01 -0.21 -0.04 6.97 6.67 1zmcH1 HIS 348 HE1 -0.04 -0.02 -0.04 -0.04 7.75 7.61 1zmcH1 ILE 349 H -0.54 0.29 0.15 -0.55 8.25 7.60 1zmcH1 ILE 349 HA -0.27 0.19 0.84 -0.75 4.18 4.19 1zmcH1 ILE 349 HB -0.08 0.07 -0.20 -0.04 1.89 1.65 1zmcH1 ILE 349 HG12 -0.48 -0.10 -0.40 -0.04 1.49 0.47 1zmcH1 ILE 349 HG13 -0.16 0.03 -0.03 -0.04 1.21 1.01 1zmcH1 ILE 349 HG23 -0.31 -0.00 -0.05 -0.04 0.93 0.52 1zmcH1 ILE 349 HD13 -0.02 -0.01 -0.11 -0.04 0.88 0.71 1zmcH1 ASP 350 H -0.25 0.26 0.06 -0.55 8.40 7.92 1zmcH1 ASP 350 HA -0.28 0.20 0.96 -0.75 4.63 4.76 1zmcH1 ASP 350 HB2 -0.06 0.11 -0.02 -0.04 2.71 2.70 1zmcH1 ASP 350 HB3 -0.06 0.01 0.17 -0.04 2.70 2.79 1zmcH1 TYR 351 H -0.32 0.29 0.07 -0.55 8.29 7.79 1zmcH1 TYR 351 HA -0.00 0.09 0.38 -0.75 4.56 4.26 1zmcH1 TYR 351 HB2 0.01 0.02 0.07 -0.04 3.06 3.12 1zmcH1 TYR 351 HB3 0.01 0.01 0.12 -0.04 2.98 3.08 1zmcH1 TYR 351 HD2 0.00 -0.02 0.03 -0.04 7.15 7.12 1zmcH1 TYR 351 HE2 0.03 0.03 -0.04 -0.04 6.85 6.82 1zmcH1 ASN 352 H 0.05 0.05 -0.47 -0.55 8.53 7.62 1zmcH1 ASN 352 HA 0.09 0.09 0.44 -0.75 4.76 4.62 1zmcH1 ASN 352 HB2 0.06 -0.01 0.05 -0.04 2.88 2.94 1zmcH1 ASN 352 HB3 0.04 0.02 -0.00 -0.04 2.79 2.80 1zmcH1 ASN 352 HD21 0.04 0.05 -0.03 -0.04 7.03 7.05 1zmcH1 ASN 352 HD22 0.04 0.03 -0.13 -0.04 7.74 7.64 1zmcH1 CYS 353 H 0.01 0.51 -0.28 -0.55 8.50 8.20 1zmcH1 CYS 353 HA 0.02 0.11 0.65 -0.75 4.58 4.61 1zmcH1 CYS 353 HB2 -0.02 0.09 0.10 -0.04 2.97 3.10 1zmcH1 CYS 353 HB3 -0.01 0.01 0.14 -0.04 2.97 3.06 1zmcH1 VAL 354 H 0.06 0.35 -0.48 -0.55 8.24 7.63 1zmcH1 VAL 354 HA 0.06 0.12 0.71 -0.75 4.13 4.27 1zmcH1 VAL 354 HB 0.10 0.15 0.21 -0.04 2.12 2.54 1zmcH1 VAL 354 HG13 0.06 -0.01 -0.09 -0.04 0.97 0.89 1zmcH1 VAL 354 HG23 0.12 -0.01 -0.05 -0.04 0.95 0.97 1zmcH1 PRO 355 HA -0.19 0.30 0.88 -0.51 4.44 4.91 1zmcH1 PRO 355 HB2 -0.23 -0.04 0.01 -0.04 2.28 1.98 1zmcH1 PRO 355 HB3 -0.13 0.04 -0.01 -0.04 2.02 1.87 1zmcH1 PRO 355 HG2 -0.25 -0.08 -0.01 -0.04 2.03 1.65 1zmcH1 PRO 355 HG3 -0.14 0.04 -0.02 -0.04 2.03 1.87 1zmcH1 PRO 355 HD2 0.07 -0.02 0.23 -0.04 3.68 3.92 1zmcH1 PRO 355 HD3 -0.02 0.43 0.22 -0.04 3.65 4.23 1zmcH1 SER 356 H -0.63 0.57 0.39 -0.55 8.46 8.25 1zmcH1 SER 356 HA -0.29 0.07 0.83 -0.75 4.49 4.34 1zmcH1 SER 356 HB2 -2.45 -0.04 0.03 -0.04 3.95 1.45 1zmcH1 SER 356 HB3 -0.79 -0.05 0.01 -0.04 3.93 3.06 1zmcH1 VAL 357 H -0.25 0.21 0.19 -0.55 8.24 7.84 1zmcH1 VAL 357 HA -0.38 0.31 1.12 -0.75 4.13 4.42 1zmcH1 VAL 357 HB -0.42 -0.06 0.04 -0.04 2.12 1.64 1zmcH1 VAL 357 HG13 -0.95 -0.01 -0.19 -0.04 0.97 -0.22 1zmcH1 VAL 357 HG23 -0.31 0.01 -0.18 -0.04 0.95 0.43 1zmcH1 ILE 358 H -0.22 0.92 0.37 -0.55 8.25 8.78 1zmcH1 ILE 358 HA 0.06 0.10 0.86 -0.75 4.18 4.45 1zmcH1 ILE 358 HB -0.12 -0.03 0.25 -0.04 1.89 1.95 1zmcH1 ILE 358 HG12 0.12 -0.01 -0.07 -0.04 1.49 1.49 1zmcH1 ILE 358 HG13 0.11 -0.01 -0.23 -0.04 1.21 1.05 1zmcH1 ILE 358 HG23 0.18 -0.02 -0.04 -0.04 0.93 1.01 1zmcH1 ILE 358 HD13 0.14 0.02 -0.06 -0.04 0.88 0.94 1zmcH1 TYR 359 H 0.32 0.17 0.04 -0.55 8.29 8.27 1zmcH1 TYR 359 HA -0.01 0.11 0.63 -0.75 4.56 4.53 1zmcH1 TYR 359 HB2 0.01 -0.00 0.10 -0.04 3.06 3.13 1zmcH1 TYR 359 HB3 -0.01 0.09 0.20 -0.04 2.98 3.22 1zmcH1 TYR 359 HD2 -0.02 0.03 -0.01 -0.04 7.15 7.11 1zmcH1 TYR 359 HE2 -0.04 0.00 -0.03 -0.04 6.85 6.74 1zmcH1 THR 360 H 0.13 0.03 -0.61 -0.55 8.28 7.28 1zmcH1 THR 360 HA 0.17 0.13 0.42 -0.75 4.39 4.36 1zmcH1 THR 360 HB 0.29 -0.04 0.01 -0.04 4.32 4.55 1zmcH1 THR 360 HG23 0.31 -0.03 -0.14 -0.04 1.22 1.32 1zmcH1 HIS 361 H 0.22 0.24 -0.08 -0.55 8.41 8.25 1zmcH1 HIS 361 HA -0.03 -0.08 0.46 -0.75 4.63 4.23 1zmcH1 HIS 361 HB2 -0.19 0.05 -0.23 -0.04 3.26 2.84 1zmcH1 HIS 361 HB3 0.04 0.07 0.11 -0.04 3.20 3.38 1zmcH1 HIS 361 HD2 0.08 0.05 -0.18 -0.04 6.97 6.86 1zmcH1 HIS 361 HE1 -0.17 -0.03 -0.01 -0.04 7.75 7.49 1zmcH1 PRO 362 HA -0.36 -0.00 0.23 -0.51 4.44 3.80 1zmcH1 PRO 362 HB2 0.01 0.05 -0.12 -0.04 2.28 2.18 1zmcH1 PRO 362 HB3 -0.05 0.02 -0.01 -0.04 2.02 1.94 1zmcH1 PRO 362 HG2 0.34 -0.01 -0.08 -0.04 2.03 2.24 1zmcH1 PRO 362 HG3 0.16 0.02 -0.02 -0.04 2.03 2.15 1zmcH1 PRO 362 HD2 0.17 0.17 0.06 -0.04 3.68 4.03 1zmcH1 PRO 362 HD3 0.11 0.11 0.27 -0.04 3.65 4.09 1zmcH1 GLU 363 H -0.21 0.10 0.01 -0.55 8.60 7.96 1zmcH1 GLU 363 HA -0.07 0.24 0.60 -0.75 4.29 4.30 1zmcH1 GLU 363 HB2 -0.16 0.02 0.20 -0.04 2.09 2.10 1zmcH1 GLU 363 HB3 -0.17 -0.10 0.08 -0.04 1.99 1.75 1zmcH1 GLU 363 HG2 -0.09 0.06 0.10 -0.04 2.34 2.38 1zmcH1 GLU 363 HG3 -0.11 0.17 0.06 -0.04 2.34 2.43 1zmcH1 VAL 364 H -0.16 0.54 0.40 -0.55 8.24 8.47 1zmcH1 VAL 364 HA -0.07 0.38 1.02 -0.75 4.13 4.71 1zmcH1 VAL 364 HB -0.16 -0.13 0.09 -0.04 2.12 1.88 1zmcH1 VAL 364 HG13 -0.02 0.00 -0.05 -0.04 0.97 0.86 1zmcH1 VAL 364 HG23 -1.06 0.03 -0.22 -0.04 0.95 -0.35 1zmcH1 ALA 365 H 0.14 0.66 0.36 -0.55 8.40 9.01 1zmcH1 ALA 365 HA -0.15 0.25 0.80 -0.75 4.34 4.49 1zmcH1 ALA 365 HB3 -0.13 -0.02 -0.15 -0.04 1.41 1.06 1zmcH1 TRP 366 H -0.39 0.54 0.40 -0.55 7.97 7.97 1zmcH1 TRP 366 HA -0.14 0.26 0.72 -0.75 4.62 4.70 1zmcH1 TRP 366 HB2 -0.39 0.11 0.16 -0.04 3.23 3.08 1zmcH1 TRP 366 HB3 0.02 -0.10 -0.02 -0.04 3.23 3.09 1zmcH1 TRP 366 HD1 0.01 0.14 -0.30 -0.04 7.22 7.03 1zmcH1 TRP 366 HE1 0.04 0.04 -0.21 -0.04 10.20 10.03 1zmcH1 TRP 366 HE3 -0.04 -0.09 -0.39 -0.04 7.59 7.02 1zmcH1 TRP 366 HZ2 0.03 0.14 -0.17 -0.04 7.44 7.40 1zmcH1 TRP 366 HZ3 -0.12 -0.03 -0.23 -0.04 7.13 6.71 1zmcH1 TRP 366 HH2 -0.00 0.06 -0.11 -0.04 7.19 7.10 1zmcH1 VAL 367 H 0.00 0.52 0.33 -0.55 8.24 8.54 1zmcH1 VAL 367 HA 0.01 0.16 0.56 -0.75 4.13 4.10 1zmcH1 VAL 367 HB -0.08 -0.03 -0.24 -0.04 2.12 1.73 1zmcH1 VAL 367 HG13 -0.00 -0.01 -0.20 -0.04 0.97 0.72 1zmcH1 VAL 367 HG23 -0.01 0.05 -0.27 -0.04 0.95 0.68 1zmcH1 GLY 368 H 0.08 0.32 0.21 -0.55 8.43 8.49 1zmcH1 GLY 368 HA2 0.06 0.11 0.42 -0.51 4.01 4.10 1zmcH1 GLY 368 HA3 0.05 0.17 0.78 -0.51 4.01 4.50 1zmcH1 LYS 369 H 0.06 0.75 0.38 -0.55 8.42 9.06 1zmcH1 LYS 369 HA 0.09 0.09 0.71 -0.75 4.32 4.46 1zmcH1 LYS 369 HB2 0.00 0.01 -0.05 -0.04 1.87 1.79 1zmcH1 LYS 369 HB3 -0.00 -0.10 0.01 -0.04 1.79 1.66 1zmcH1 LYS 369 HG2 0.04 0.06 0.07 -0.04 1.46 1.60 1zmcH1 LYS 369 HG3 0.02 0.02 -0.03 -0.04 1.46 1.43 1zmcH1 LYS 369 HD2 0.03 -0.05 -0.06 -0.04 1.69 1.57 1zmcH1 LYS 369 HD3 0.06 0.01 -0.10 -0.04 1.68 1.61 1zmcH1 LYS 369 HE2 0.04 -0.01 -0.04 -0.04 2.99 2.94 1zmcH1 LYS 369 HE3 0.05 -0.01 -0.03 -0.04 2.99 2.95 1zmcH1 SER 370 H 0.02 0.07 0.15 -0.55 8.46 8.15 1zmcH1 SER 370 HA -0.16 0.18 0.55 -0.75 4.49 4.31 1zmcH1 SER 370 HB2 -0.30 -0.21 0.07 -0.04 3.95 3.48 1zmcH1 SER 370 HB3 -0.15 0.35 -0.06 -0.04 3.93 4.03 1zmcH1 GLU 371 H -0.31 0.10 0.12 -0.55 8.60 7.97 1zmcH1 GLU 371 HA -0.36 0.20 0.36 -0.75 4.29 3.73 1zmcH1 GLU 371 HB2 -0.18 -0.08 0.14 -0.04 2.09 1.92 1zmcH1 GLU 371 HB3 -0.10 0.03 -0.02 -0.04 1.99 1.86 1zmcH1 GLU 371 HG2 -0.11 0.05 0.03 -0.04 2.34 2.27 1zmcH1 GLU 371 HG3 -0.19 0.05 -0.02 -0.04 2.34 2.14 1zmcH1 GLU 372 H -0.16 -0.01 -0.15 -0.55 8.60 7.74 1zmcH1 GLU 372 HA -0.06 0.15 0.38 -0.75 4.29 4.01 1zmcH1 GLU 372 HB2 -0.11 -0.04 0.04 -0.04 2.09 1.94 1zmcH1 GLU 372 HB3 -0.07 0.11 -0.00 -0.04 1.99 1.99 1zmcH1 GLU 372 HG2 -0.13 0.07 0.03 -0.04 2.34 2.27 1zmcH1 GLU 372 HG3 -0.08 0.12 0.02 -0.04 2.34 2.36 1zmcH1 GLN 373 H -0.09 -0.00 -0.31 -0.55 8.47 7.53 1zmcH1 GLN 373 HA -0.02 0.10 0.39 -0.75 4.36 4.07 1zmcH1 GLN 373 HB2 -0.03 -0.06 0.15 -0.04 2.15 2.16 1zmcH1 GLN 373 HB3 -0.00 0.10 -0.04 -0.04 2.02 2.03 1zmcH1 GLN 373 HG2 0.01 0.08 0.02 -0.04 2.40 2.47 1zmcH1 GLN 373 HG3 -0.02 -0.09 0.02 -0.04 2.39 2.25 1zmcH1 GLN 373 HE21 0.08 0.09 -0.01 -0.04 6.97 7.09 1zmcH1 GLN 373 HE22 0.04 0.02 -0.01 -0.04 7.69 7.71 1zmcH1 LEU 374 H -0.13 0.42 -0.24 -0.55 8.37 7.87 1zmcH1 LEU 374 HA -0.03 0.04 0.36 -0.75 4.35 3.96 1zmcH1 LEU 374 HB2 -0.48 0.07 0.08 -0.04 1.64 1.26 1zmcH1 LEU 374 HB3 -0.22 0.05 -0.06 -0.04 1.64 1.38 1zmcH1 LEU 374 HG -0.17 0.05 -0.15 -0.04 1.64 1.32 1zmcH1 LEU 374 HD13 -0.50 -0.02 -0.19 -0.04 0.93 0.18 1zmcH1 LEU 374 HD23 -0.03 -0.00 -0.11 -0.04 0.89 0.71 1zmcH1 LYS 375 H -0.03 0.43 -0.19 -0.55 8.42 8.08 1zmcH1 LYS 375 HA 0.11 0.08 0.44 -0.75 4.32 4.19 1zmcH1 LYS 375 HB2 0.02 0.00 0.17 -0.04 1.87 2.01 1zmcH1 LYS 375 HB3 0.04 0.00 -0.02 -0.04 1.79 1.77 1zmcH1 LYS 375 HG2 0.12 0.03 0.03 -0.04 1.46 1.60 1zmcH1 LYS 375 HG3 0.20 0.02 0.03 -0.04 1.46 1.66 1zmcH1 LYS 375 HD2 0.03 -0.10 -0.08 -0.04 1.69 1.50 1zmcH1 LYS 375 HD3 0.03 0.01 -0.02 -0.04 1.68 1.66 1zmcH1 LYS 375 HE2 0.06 0.05 -0.02 -0.04 2.99 3.04 1zmcH1 LYS 375 HE3 0.15 -0.02 -0.04 -0.04 2.99 3.05 1zmcH1 GLU 376 H -0.00 0.52 -0.09 -0.55 8.60 8.48 1zmcH1 GLU 376 HA 0.01 0.03 0.42 -0.75 4.29 3.99 1zmcH1 GLU 376 HB2 -0.00 0.09 0.20 -0.04 2.09 2.33 1zmcH1 GLU 376 HB3 0.01 0.01 -0.01 -0.04 1.99 1.95 1zmcH1 GLU 376 HG2 -0.00 -0.04 0.04 -0.04 2.34 2.29 1zmcH1 GLU 376 HG3 -0.00 -0.07 0.01 -0.04 2.34 2.24 1zmcH1 GLU 377 H 0.02 0.35 -0.33 -0.55 8.60 8.09 1zmcH1 GLU 377 HA 0.02 0.13 0.64 -0.75 4.29 4.32 1zmcH1 GLU 377 HB2 0.02 -0.01 0.04 -0.04 2.09 2.11 1zmcH1 GLU 377 HB3 0.02 -0.03 0.11 -0.04 1.99 2.05 1zmcH1 GLU 377 HG2 0.02 -0.02 -0.04 -0.04 2.34 2.26 1zmcH1 GLU 377 HG3 0.01 0.13 0.03 -0.04 2.34 2.46 1zmcH1 GLY 378 H 0.04 0.39 -0.38 -0.55 8.43 7.93 1zmcH1 GLY 378 HA2 0.04 0.03 0.29 -0.51 4.01 3.87 1zmcH1 GLY 378 HA3 0.03 0.02 0.40 -0.51 4.01 3.95 1zmcH1 ILE 379 H 0.08 0.41 -0.08 -0.55 8.25 8.11 1zmcH1 ILE 379 HA 0.07 0.11 0.58 -0.75 4.18 4.19 1zmcH1 ILE 379 HB 0.13 -0.07 -0.02 -0.04 1.89 1.88 1zmcH1 ILE 379 HG12 0.05 0.04 -0.12 -0.04 1.49 1.41 1zmcH1 ILE 379 HG13 0.04 -0.07 -0.05 -0.04 1.21 1.08 1zmcH1 ILE 379 HG23 0.10 -0.01 -0.20 -0.04 0.93 0.78 1zmcH1 ILE 379 HD13 0.04 0.02 -0.11 -0.04 0.88 0.79 1zmcH1 GLU 380 H 0.06 0.15 0.17 -0.55 8.60 8.43 1zmcH1 GLU 380 HA -0.03 0.13 0.64 -0.75 4.29 4.27 1zmcH1 GLU 380 HB2 -0.00 0.08 0.11 -0.04 2.09 2.24 1zmcH1 GLU 380 HB3 0.02 -0.08 0.26 -0.04 1.99 2.14 1zmcH1 GLU 380 HG2 -0.02 -0.05 0.01 -0.04 2.34 2.25 1zmcH1 GLU 380 HG3 -0.05 0.06 -0.15 -0.04 2.34 2.15 1zmcH1 TYR 381 H -0.33 0.25 0.19 -0.55 8.29 7.85 1zmcH1 TYR 381 HA 0.01 0.04 1.17 -0.75 4.56 5.03 1zmcH1 TYR 381 HB2 0.02 0.09 0.05 -0.04 3.06 3.18 1zmcH1 TYR 381 HB3 0.01 -0.08 -0.27 -0.04 2.98 2.61 1zmcH1 TYR 381 HD2 0.01 0.22 -0.23 -0.04 7.15 7.10 1zmcH1 TYR 381 HE2 -0.01 -0.01 -0.11 -0.04 6.85 6.68 1zmcH1 LYS 382 H 0.17 0.81 0.38 -0.55 8.42 9.22 1zmcH1 LYS 382 HA -0.03 0.17 0.90 -0.75 4.32 4.61 1zmcH1 LYS 382 HB2 0.06 -0.11 -0.03 -0.04 1.87 1.75 1zmcH1 LYS 382 HB3 0.02 0.14 0.07 -0.04 1.79 1.98 1zmcH1 LYS 382 HG2 -0.02 0.02 -0.09 -0.04 1.46 1.32 1zmcH1 LYS 382 HG3 0.02 -0.14 -0.24 -0.04 1.46 1.07 1zmcH1 LYS 382 HD2 0.01 0.19 0.02 -0.04 1.69 1.86 1zmcH1 LYS 382 HD3 0.00 -0.01 -0.02 -0.04 1.68 1.62 1zmcH1 LYS 382 HE2 0.03 -0.08 -0.22 -0.04 2.99 2.67 1zmcH1 LYS 382 HE3 0.03 -0.06 -0.19 -0.04 2.99 2.74 1zmcH1 VAL 383 H 0.04 0.26 0.20 -0.55 8.24 8.20 1zmcH1 VAL 383 HA 0.12 0.37 1.25 -0.75 4.13 5.12 1zmcH1 VAL 383 HB 0.06 0.01 0.05 -0.04 2.12 2.20 1zmcH1 VAL 383 HG13 0.07 -0.02 -0.14 -0.04 0.97 0.83 1zmcH1 VAL 383 HG23 0.21 -0.00 -0.16 -0.04 0.95 0.95 1zmcH1 GLY 384 H 0.05 0.59 0.35 -0.55 8.43 8.87 1zmcH1 GLY 384 HA2 0.05 0.21 0.80 -0.51 4.01 4.56 1zmcH1 GLY 384 HA3 0.03 0.14 0.31 -0.51 4.01 3.98 1zmcH1 LYS 385 H 0.06 0.30 0.17 -0.55 8.42 8.40 1zmcH1 LYS 385 HA 0.02 0.30 1.20 -0.75 4.32 5.08 1zmcH1 LYS 385 HB2 0.01 0.03 0.06 -0.04 1.87 1.93 1zmcH1 LYS 385 HB3 -0.04 -0.01 -0.04 -0.04 1.79 1.66 1zmcH1 LYS 385 HG2 0.01 -0.03 -0.08 -0.04 1.46 1.32 1zmcH1 LYS 385 HG3 0.03 -0.04 -0.33 -0.04 1.46 1.07 1zmcH1 LYS 385 HD2 0.02 0.06 -0.07 -0.04 1.69 1.66 1zmcH1 LYS 385 HD3 -0.01 -0.01 -0.09 -0.04 1.68 1.53 1zmcH1 LYS 385 HE2 0.00 -0.08 -0.10 -0.04 2.99 2.77 1zmcH1 LYS 385 HE3 0.02 0.03 -0.10 -0.04 2.99 2.90 1zmcH1 PHE 386 H -0.00 0.67 0.35 -0.55 8.34 8.81 1zmcH1 PHE 386 HA -0.22 0.23 0.91 -0.75 4.62 4.79 1zmcH1 PHE 386 HB2 -0.12 -0.04 -0.24 -0.04 3.15 2.71 1zmcH1 PHE 386 HB3 -0.22 -0.01 0.13 -0.04 3.06 2.91 1zmcH1 PHE 386 HD2 -0.15 -0.06 -0.19 -0.04 7.28 6.85 1zmcH1 PHE 386 HE2 0.02 -0.16 -0.29 -0.04 7.38 6.91 1zmcH1 PHE 386 HZ 0.04 0.21 -0.18 -0.04 7.32 7.34 1zmcH1 PRO 387 HA -0.28 0.20 0.85 -0.51 4.44 4.70 1zmcH1 PRO 387 HB2 -0.35 -0.04 0.12 -0.04 2.28 1.98 1zmcH1 PRO 387 HB3 -0.46 0.06 0.10 -0.04 2.02 1.69 1zmcH1 PRO 387 HG2 -0.97 -0.04 0.11 -0.04 2.03 1.09 1zmcH1 PRO 387 HG3 -1.76 0.13 0.08 -0.04 2.03 0.43 1zmcH1 PRO 387 HD2 -1.86 0.08 0.18 -0.04 3.68 2.04 1zmcH1 PRO 387 HD3 -1.30 0.21 0.14 -0.04 3.65 2.65 1zmcH1 PHE 388 H 0.03 0.77 0.26 -0.55 8.34 8.85 1zmcH1 PHE 388 HA 0.09 -0.04 0.48 -0.75 4.62 4.40 1zmcH1 PHE 388 HB2 0.00 0.27 -0.18 -0.04 3.15 3.20 1zmcH1 PHE 388 HB3 0.03 -0.04 0.03 -0.04 3.06 3.04 1zmcH1 PHE 388 HD2 0.05 0.01 -0.04 -0.04 7.28 7.25 1zmcH1 PHE 388 HE2 0.05 -0.02 -0.17 -0.04 7.38 7.19 1zmcH1 PHE 388 HZ 0.05 -0.06 -0.21 -0.04 7.32 7.06 1zmcH1 ALA 389 H -0.05 0.05 -0.39 -0.55 8.40 7.46 1zmcH1 ALA 389 HA 0.06 0.12 0.49 -0.75 4.34 4.25 1zmcH1 ALA 389 HB3 -0.02 0.02 0.05 -0.04 1.41 1.43 1zmcH1 ALA 390 H -0.18 0.35 -0.34 -0.55 8.40 7.69 1zmcH1 ALA 390 HA 0.07 0.23 0.80 -0.75 4.34 4.68 1zmcH1 ALA 390 HB3 -0.22 0.05 0.08 -0.04 1.41 1.28 1zmcH1 ASN 391 H 0.18 0.27 -0.44 -0.55 8.53 7.98 1zmcH1 ASN 391 HA 0.28 0.08 0.66 -0.75 4.76 5.02 1zmcH1 ASN 391 HB2 0.33 0.03 0.05 -0.04 2.88 3.25 1zmcH1 ASN 391 HB3 0.35 0.20 0.18 -0.04 2.79 3.47 1zmcH1 ASN 391 HD21 0.11 0.27 0.21 -0.04 7.03 7.58 1zmcH1 ASN 391 HD22 0.07 0.03 -0.03 -0.04 7.74 7.77 1zmcH1 SER 392 H 0.13 0.15 0.13 -0.55 8.46 8.33 1zmcH1 SER 392 HA 0.09 0.19 0.35 -0.75 4.49 4.38 1zmcH1 SER 392 HB2 -0.05 -0.12 0.12 -0.04 3.95 3.86 1zmcH1 SER 392 HB3 0.01 0.08 -0.00 -0.04 3.93 3.98 1zmcH1 ARG 393 H 0.03 0.04 -0.20 -0.55 8.46 7.78 1zmcH1 ARG 393 HA -0.00 0.20 0.38 -0.75 4.34 4.16 1zmcH1 ARG 393 HB2 -0.01 -0.03 -0.43 -0.04 1.90 1.38 1zmcH1 ARG 393 HB3 0.05 -0.09 -0.24 -0.04 1.80 1.48 1zmcH1 ARG 393 HG2 0.02 0.03 -0.24 -0.04 1.67 1.44 1zmcH1 ARG 393 HG3 0.00 0.11 -0.04 -0.04 1.67 1.70 1zmcH1 ARG 393 HD2 -0.00 0.26 0.03 -0.04 3.22 3.46 1zmcH1 ARG 393 HD3 0.02 -0.25 0.01 -0.04 3.22 2.96 1zmcH1 ALA 394 H 0.13 0.01 -0.26 -0.55 8.40 7.73 1zmcH1 ALA 394 HA 0.04 0.08 0.39 -0.75 4.34 4.09 1zmcH1 ALA 394 HB3 0.16 0.06 0.15 -0.04 1.41 1.74 1zmcH1 LYS 395 H 0.09 0.40 -0.35 -0.55 8.42 8.00 1zmcH1 LYS 395 HA 0.06 0.02 0.39 -0.75 4.32 4.03 1zmcH1 LYS 395 HB2 0.08 0.16 0.03 -0.04 1.87 2.10 1zmcH1 LYS 395 HB3 0.07 0.02 0.03 -0.04 1.79 1.87 1zmcH1 LYS 395 HG2 0.06 -0.00 -0.03 -0.04 1.46 1.44 1zmcH1 LYS 395 HG3 0.05 -0.01 -0.07 -0.04 1.46 1.39 1zmcH1 LYS 395 HD2 0.05 -0.07 0.05 -0.04 1.69 1.69 1zmcH1 LYS 395 HD3 0.06 0.10 0.03 -0.04 1.68 1.83 1zmcH1 LYS 395 HE2 0.05 0.02 0.01 -0.04 2.99 3.03 1zmcH1 LYS 395 HE3 0.04 -0.01 0.01 -0.04 2.99 2.99 1zmcH1 THR 396 H 0.04 0.48 -0.11 -0.55 8.28 8.15 1zmcH1 THR 396 HA 0.03 0.06 0.44 -0.75 4.39 4.16 1zmcH1 THR 396 HB 0.01 0.01 0.05 -0.04 4.32 4.35 1zmcH1 THR 396 HG23 0.01 -0.01 0.03 -0.04 1.22 1.21 1zmcH1 ASN 397 H 0.03 0.39 -0.40 -0.55 8.53 8.01 1zmcH1 ASN 397 HA 0.02 0.10 0.53 -0.75 4.76 4.65 1zmcH1 ASN 397 HB2 0.04 0.04 0.04 -0.04 2.88 2.96 1zmcH1 ASN 397 HB3 0.05 -0.05 0.04 -0.04 2.79 2.78 1zmcH1 ASN 397 HD21 0.02 -0.11 -0.08 -0.04 7.03 6.82 1zmcH1 ASN 397 HD22 0.02 -0.06 -0.11 -0.04 7.74 7.55 1zmcH1 ALA 398 H 0.04 0.26 -0.62 -0.55 8.40 7.54 1zmcH1 ALA 398 HA 0.04 -0.01 0.29 -0.75 4.34 3.91 1zmcH1 ALA 398 HB3 0.03 0.04 -0.00 -0.04 1.41 1.44 1zmcH1 ASP 399 H 0.05 0.63 -0.27 -0.55 8.40 8.26 1zmcH1 ASP 399 HA 0.08 0.05 0.60 -0.75 4.63 4.61 1zmcH1 ASP 399 HB2 0.11 0.22 -0.16 -0.04 2.71 2.84 1zmcH1 ASP 399 HB3 0.05 -0.06 0.06 -0.04 2.70 2.71 1zmcH1 THR 400 H 0.05 0.16 -0.05 -0.55 8.28 7.90 1zmcH1 THR 400 HA 0.05 0.23 0.93 -0.75 4.39 4.84 1zmcH1 THR 400 HB 0.09 -0.09 -0.11 -0.04 4.32 4.16 1zmcH1 THR 400 HG23 0.08 0.02 -0.40 -0.04 1.22 0.87 1zmcH1 ASP 401 H 0.02 0.07 -0.02 -0.55 8.40 7.92 1zmcH1 ASP 401 HA 0.06 0.09 0.47 -0.75 4.63 4.49 1zmcH1 ASP 401 HB2 0.01 -0.06 0.06 -0.04 2.71 2.69 1zmcH1 ASP 401 HB3 0.06 -0.00 -0.01 -0.04 2.70 2.71 1zmcH1 GLY 402 H 0.08 0.08 0.17 -0.55 8.43 8.22 1zmcH1 GLY 402 HA2 0.10 -0.05 0.35 -0.51 4.01 3.90 1zmcH1 GLY 402 HA3 0.19 0.34 0.43 -0.51 4.01 4.45 1zmcH1 MET 403 H 0.19 0.36 0.43 -0.55 8.47 8.90 1zmcH1 MET 403 HA -0.16 0.06 0.82 -0.75 4.52 4.48 1zmcH1 MET 403 HB2 -0.12 0.05 -0.11 -0.04 2.15 1.93 1zmcH1 MET 403 HB3 -0.08 0.03 -0.29 -0.04 2.03 1.65 1zmcH1 MET 403 HG2 0.01 -0.07 -0.12 -0.04 2.63 2.41 1zmcH1 MET 403 HG3 0.02 -0.02 -0.41 -0.04 2.56 2.11 1zmcH1 MET 403 HE3 -0.01 -0.02 -0.15 -0.04 2.10 1.87 1zmcH1 VAL 404 H -0.15 0.71 0.38 -0.55 8.24 8.62 1zmcH1 VAL 404 HA 0.08 0.18 1.06 -0.75 4.13 4.69 1zmcH1 VAL 404 HB -0.06 0.05 0.05 -0.04 2.12 2.12 1zmcH1 VAL 404 HG13 0.10 -0.01 -0.19 -0.04 0.97 0.83 1zmcH1 VAL 404 HG23 -0.12 -0.03 -0.24 -0.04 0.95 0.52 1zmcH1 LYS 405 H 0.10 0.79 0.37 -0.55 8.42 9.12 1zmcH1 LYS 405 HA 0.03 0.32 1.12 -0.75 4.32 5.04 1zmcH1 LYS 405 HB2 0.03 -0.04 -0.08 -0.04 1.87 1.74 1zmcH1 LYS 405 HB3 0.10 -0.07 0.16 -0.04 1.79 1.94 1zmcH1 LYS 405 HG2 0.06 0.05 -0.31 -0.04 1.46 1.22 1zmcH1 LYS 405 HG3 0.03 0.08 -0.05 -0.04 1.46 1.48 1zmcH1 LYS 405 HD2 -0.03 0.00 -0.09 -0.04 1.69 1.53 1zmcH1 LYS 405 HD3 -0.08 -0.11 -0.07 -0.04 1.68 1.38 1zmcH1 LYS 405 HE2 -0.08 -0.02 -0.12 -0.04 2.99 2.73 1zmcH1 LYS 405 HE3 -0.00 0.12 -0.10 -0.04 2.99 2.97 1zmcH1 ILE 406 H 0.03 0.91 0.40 -0.55 8.25 9.04 1zmcH1 ILE 406 HA 0.06 0.23 1.07 -0.75 4.18 4.78 1zmcH1 ILE 406 HB -0.03 0.08 0.01 -0.04 1.89 1.91 1zmcH1 ILE 406 HG12 -0.11 -0.08 -0.32 -0.04 1.49 0.94 1zmcH1 ILE 406 HG13 -0.27 0.01 -0.29 -0.04 1.21 0.62 1zmcH1 ILE 406 HG23 -0.03 -0.00 -0.20 -0.04 0.93 0.66 1zmcH1 ILE 406 HD13 -0.08 0.03 -0.06 -0.04 0.88 0.72 1zmcH1 LEU 407 H 0.06 0.67 0.38 -0.55 8.37 8.94 1zmcH1 LEU 407 HA 0.11 0.37 1.02 -0.75 4.35 5.09 1zmcH1 LEU 407 HB2 0.02 -0.06 0.13 -0.04 1.64 1.69 1zmcH1 LEU 407 HB3 -0.11 0.02 -0.02 -0.04 1.64 1.48 1zmcH1 LEU 407 HG 0.10 -0.02 -0.27 -0.04 1.64 1.41 1zmcH1 LEU 407 HD13 -0.13 0.02 -0.25 -0.04 0.93 0.53 1zmcH1 LEU 407 HD23 -0.03 0.03 -0.11 -0.04 0.89 0.74 1zmcH1 GLY 408 H 0.13 0.67 0.31 -0.55 8.43 8.99 1zmcH1 GLY 408 HA2 0.06 0.21 1.06 -0.51 4.01 4.83 1zmcH1 GLY 408 HA3 0.06 0.06 0.17 -0.51 4.01 3.79 1zmcH1 GLN 409 H 0.06 0.74 0.17 -0.55 8.47 8.89 1zmcH1 GLN 409 HA 0.10 0.15 0.65 -0.75 4.36 4.51 1zmcH1 GLN 409 HB2 0.06 0.11 0.08 -0.04 2.15 2.35 1zmcH1 GLN 409 HB3 0.05 -0.23 0.15 -0.04 2.02 1.94 1zmcH1 GLN 409 HG2 0.04 -0.22 -0.00 -0.04 2.40 2.18 1zmcH1 GLN 409 HG3 0.06 0.13 0.12 -0.04 2.39 2.67 1zmcH1 GLN 409 HE21 0.04 0.05 -0.01 -0.04 6.97 7.01 1zmcH1 GLN 409 HE22 0.05 -0.01 0.03 -0.04 7.69 7.72 1zmcH1 LYS 410 H 0.06 0.68 0.42 -0.55 8.42 9.02 1zmcH1 LYS 410 HA 0.02 0.12 0.32 -0.75 4.32 4.03 1zmcH1 LYS 410 HB2 -0.01 -0.01 -0.15 -0.04 1.87 1.66 1zmcH1 LYS 410 HB3 0.01 0.03 0.12 -0.04 1.79 1.91 1zmcH1 LYS 410 HG2 -0.01 -0.02 -0.08 -0.04 1.46 1.31 1zmcH1 LYS 410 HG3 -0.00 0.03 -0.14 -0.04 1.46 1.31 1zmcH1 LYS 410 HD2 -0.03 0.01 -0.04 -0.04 1.69 1.60 1zmcH1 LYS 410 HD3 -0.02 0.01 -0.06 -0.04 1.68 1.57 1zmcH1 LYS 410 HE2 -0.07 -0.04 -0.23 -0.04 2.99 2.61 1zmcH1 LYS 410 HE3 -0.06 -0.02 -0.06 -0.04 2.99 2.81 1zmcH1 SER 411 H 0.03 0.06 -0.06 -0.55 8.46 7.93 1zmcH1 SER 411 HA 0.01 0.16 0.47 -0.75 4.49 4.38 1zmcH1 SER 411 HB2 0.02 0.05 0.04 -0.04 3.95 4.01 1zmcH1 SER 411 HB3 0.02 0.01 0.10 -0.04 3.93 4.02 1zmcH1 THR 412 H 0.03 -0.04 -0.19 -0.55 8.28 7.54 1zmcH1 THR 412 HA 0.02 0.35 1.05 -0.75 4.39 5.05 1zmcH1 THR 412 HB 0.03 0.06 0.11 -0.04 4.32 4.48 1zmcH1 THR 412 HG23 0.02 0.01 -0.16 -0.04 1.22 1.05 1zmcH1 ASP 413 H 0.03 0.47 0.01 -0.55 8.40 8.36 1zmcH1 ASP 413 HA 0.03 0.15 0.29 -0.75 4.63 4.35 1zmcH1 ASP 413 HB2 0.03 0.12 -0.16 -0.04 2.71 2.65 1zmcH1 ASP 413 HB3 0.03 0.17 0.23 -0.04 2.70 3.09 1zmcH1 ARG 414 H 0.04 -0.05 -0.48 -0.55 8.46 7.41 1zmcH1 ARG 414 HA 0.04 0.15 0.27 -0.75 4.34 4.04 1zmcH1 ARG 414 HB2 0.04 0.04 -0.02 -0.04 1.90 1.92 1zmcH1 ARG 414 HB3 0.04 -0.15 -0.04 -0.04 1.80 1.61 1zmcH1 ARG 414 HG2 0.05 0.11 -0.17 -0.04 1.67 1.62 1zmcH1 ARG 414 HG3 0.05 0.27 -0.18 -0.04 1.67 1.76 1zmcH1 ARG 414 HD2 0.04 -0.12 -0.11 -0.04 3.22 2.99 1zmcH1 ARG 414 HD3 0.04 0.05 -0.06 -0.04 3.22 3.21 1zmcH1 VAL 415 H 0.05 0.70 0.26 -0.55 8.24 8.70 1zmcH1 VAL 415 HA 0.04 0.07 0.68 -0.75 4.13 4.17 1zmcH1 VAL 415 HB 0.06 0.05 0.05 -0.04 2.12 2.24 1zmcH1 VAL 415 HG13 0.06 -0.02 -0.18 -0.04 0.97 0.78 1zmcH1 VAL 415 HG23 0.03 0.00 -0.20 -0.04 0.95 0.74 1zmcH1 LEU 416 H 0.04 0.64 0.43 -0.55 8.37 8.93 1zmcH1 LEU 416 HA 0.04 0.18 0.80 -0.75 4.35 4.62 1zmcH1 LEU 416 HB2 0.01 0.01 -0.10 -0.04 1.64 1.53 1zmcH1 LEU 416 HB3 0.02 -0.07 0.03 -0.04 1.64 1.58 1zmcH1 LEU 416 HG 0.05 0.07 -0.15 -0.04 1.64 1.57 1zmcH1 LEU 416 HD13 0.06 -0.02 -0.22 -0.04 0.93 0.72 1zmcH1 LEU 416 HD23 0.04 0.02 -0.19 -0.04 0.89 0.72 1zmcH1 GLY 417 H 0.04 0.33 0.26 -0.55 8.43 8.51 1zmcH1 GLY 417 HA2 0.01 0.24 0.76 -0.51 4.01 4.50 1zmcH1 GLY 417 HA3 0.07 0.24 0.38 -0.51 4.01 4.19 1zmcH1 ALA 418 H -0.15 0.63 0.31 -0.55 8.40 8.65 1zmcH1 ALA 418 HA 0.07 0.22 1.02 -0.75 4.34 4.89 1zmcH1 ALA 418 HB3 0.20 -0.01 -0.00 -0.04 1.41 1.56 1zmcH1 HIS 419 H 0.15 0.81 0.36 -0.55 8.41 9.18 1zmcH1 HIS 419 HA 0.20 0.20 1.08 -0.75 4.63 5.35 1zmcH1 HIS 419 HB2 0.00 -0.01 0.16 -0.04 3.26 3.38 1zmcH1 HIS 419 HB3 -0.03 -0.07 0.05 -0.04 3.20 3.11 1zmcH1 HIS 419 HD2 -0.01 0.12 -0.25 -0.04 6.97 6.78 1zmcH1 HIS 419 HE1 -0.17 0.08 -0.27 -0.04 7.75 7.35 1zmcH1 ILE 420 H 0.19 0.85 0.40 -0.55 8.25 9.15 1zmcH1 ILE 420 HA 0.17 0.26 1.23 -0.75 4.18 5.09 1zmcH1 ILE 420 HB 0.10 -0.07 0.10 -0.04 1.89 1.97 1zmcH1 ILE 420 HG12 0.22 0.01 -0.16 -0.04 1.49 1.51 1zmcH1 ILE 420 HG13 0.17 -0.12 -0.54 -0.04 1.21 0.68 1zmcH1 ILE 420 HG23 0.26 0.00 -0.29 -0.04 0.93 0.86 1zmcH1 ILE 420 HD13 0.01 0.00 -0.23 -0.04 0.88 0.63 1zmcH1 LEU 421 H 0.18 0.79 0.33 -0.55 8.37 9.13 1zmcH1 LEU 421 HA 0.02 0.22 0.98 -0.75 4.35 4.81 1zmcH1 LEU 421 HB2 0.04 -0.04 0.02 -0.04 1.64 1.62 1zmcH1 LEU 421 HB3 0.10 -0.13 0.27 -0.04 1.64 1.84 1zmcH1 LEU 421 HG 0.10 0.02 -0.26 -0.04 1.64 1.46 1zmcH1 LEU 421 HD13 0.07 0.05 -0.04 -0.04 0.93 0.97 1zmcH1 LEU 421 HD23 0.11 0.01 -0.11 -0.04 0.89 0.86 1zmcH1 GLY 422 H -0.04 0.73 0.19 -0.55 8.43 8.76 1zmcH1 GLY 422 HA2 -0.14 0.01 0.21 -0.51 4.01 3.59 1zmcH1 GLY 422 HA3 -0.25 0.31 0.84 -0.51 4.01 4.40 1zmcH1 PRO 423 HA -0.30 -0.04 0.51 -0.51 4.44 4.10 1zmcH1 PRO 423 HB2 -0.21 0.00 0.00 -0.04 2.28 2.03 1zmcH1 PRO 423 HB3 -0.21 0.10 0.11 -0.04 2.02 1.97 1zmcH1 PRO 423 HG2 -0.95 -0.08 0.10 -0.04 2.03 1.06 1zmcH1 PRO 423 HG3 -0.36 0.30 0.11 -0.04 2.03 2.05 1zmcH1 PRO 423 HD2 -1.04 0.24 0.20 -0.04 3.68 3.03 1zmcH1 PRO 423 HD3 -0.35 0.11 0.11 -0.04 3.65 3.47 1zmcH1 GLY 424 H -0.15 0.17 0.20 -0.55 8.43 8.11 1zmcH1 GLY 424 HA2 -0.07 0.02 0.32 -0.51 4.01 3.77 1zmcH1 GLY 424 HA3 -0.07 0.10 0.36 -0.51 4.01 3.89 1zmcH1 ALA 425 H -0.13 0.38 -0.26 -0.55 8.40 7.84 1zmcH1 ALA 425 HA -0.01 0.07 0.16 -0.75 4.34 3.80 1zmcH1 ALA 425 HB3 -0.06 0.02 -0.27 -0.04 1.41 1.05 1zmcH1 GLY 426 H -0.17 0.11 -0.19 -0.55 8.43 7.64 1zmcH1 GLY 426 HA2 -0.27 0.06 0.26 -0.51 4.01 3.55 1zmcH1 GLY 426 HA3 -0.23 0.07 0.20 -0.51 4.01 3.53 1zmcH1 GLU 427 H -0.07 0.09 -0.29 -0.55 8.60 7.78 1zmcH1 GLU 427 HA -0.07 0.13 0.54 -0.75 4.29 4.14 1zmcH1 GLU 427 HB2 -0.04 0.03 0.06 -0.04 2.09 2.10 1zmcH1 GLU 427 HB3 -0.04 0.04 -0.00 -0.04 1.99 1.95 1zmcH1 GLU 427 HG2 -0.02 -0.10 -0.02 -0.04 2.34 2.16 1zmcH1 GLU 427 HG3 -0.01 0.06 -0.01 -0.04 2.34 2.34 1zmcH1 MET 428 H -0.07 0.58 -0.07 -0.55 8.47 8.37 1zmcH1 MET 428 HA -0.13 0.01 0.33 -0.75 4.52 3.97 1zmcH1 MET 428 HB2 -0.02 0.07 0.02 -0.04 2.15 2.18 1zmcH1 MET 428 HB3 -0.05 0.08 -0.00 -0.04 2.03 2.02 1zmcH1 MET 428 HG2 -0.34 -0.02 -0.18 -0.04 2.63 2.05 1zmcH1 MET 428 HG3 -0.17 -0.06 0.01 -0.04 2.56 2.30 1zmcH1 MET 428 HE3 0.20 0.02 -0.28 -0.04 2.10 2.00 1zmcH1 VAL 429 H -0.13 0.49 -0.39 -0.55 8.24 7.66 1zmcH1 VAL 429 HA -0.17 0.02 0.31 -0.75 4.13 3.53 1zmcH1 VAL 429 HB -0.12 0.06 -0.05 -0.04 2.12 1.98 1zmcH1 VAL 429 HG13 -0.18 0.08 -0.13 -0.04 0.97 0.70 1zmcH1 VAL 429 HG23 -0.10 -0.00 -0.15 -0.04 0.95 0.65 1zmcH1 ASN 430 H -0.13 0.43 -0.34 -0.55 8.53 7.93 1zmcH1 ASN 430 HA -0.10 0.05 0.47 -0.75 4.76 4.42 1zmcH1 ASN 430 HB2 -0.09 0.15 0.09 -0.04 2.88 3.00 1zmcH1 ASN 430 HB3 -0.07 -0.00 0.07 -0.04 2.79 2.74 1zmcH1 ASN 430 HD21 -0.10 -0.00 0.06 -0.04 7.03 6.95 1zmcH1 ASN 430 HD22 -0.09 0.12 0.19 -0.04 7.74 7.92 1zmcH1 GLU 431 H -0.18 0.36 -0.31 -0.55 8.60 7.91 1zmcH1 GLU 431 HA -0.06 0.09 0.44 -0.75 4.29 4.00 1zmcH1 GLU 431 HB2 -0.14 -0.02 0.07 -0.04 2.09 1.96 1zmcH1 GLU 431 HB3 -0.44 0.13 0.08 -0.04 1.99 1.72 1zmcH1 GLU 431 HG2 0.02 -0.02 -0.15 -0.04 2.34 2.15 1zmcH1 GLU 431 HG3 -0.01 0.02 0.01 -0.04 2.34 2.31 1zmcH1 ALA 432 H -0.27 0.23 -0.26 -0.55 8.40 7.55 1zmcH1 ALA 432 HA 0.17 0.04 0.41 -0.75 4.34 4.20 1zmcH1 ALA 432 HB3 -0.01 0.04 0.03 -0.04 1.41 1.42 1zmcH1 ALA 433 H -0.06 0.52 -0.13 -0.55 8.40 8.18 1zmcH1 ALA 433 HA -0.01 0.03 0.38 -0.75 4.34 3.99 1zmcH1 ALA 433 HB3 -0.05 0.03 0.09 -0.04 1.41 1.44 1zmcH1 LEU 434 H -0.01 0.44 -0.27 -0.55 8.37 7.98 1zmcH1 LEU 434 HA -0.02 0.04 0.41 -0.75 4.35 4.03 1zmcH1 LEU 434 HB2 0.01 0.01 0.10 -0.04 1.64 1.72 1zmcH1 LEU 434 HB3 0.04 0.11 0.14 -0.04 1.64 1.88 1zmcH1 LEU 434 HG 0.20 0.01 -0.32 -0.04 1.64 1.49 1zmcH1 LEU 434 HD13 0.11 -0.01 0.01 -0.04 0.93 1.01 1zmcH1 LEU 434 HD23 0.08 -0.01 -0.04 -0.04 0.89 0.88 1zmcH1 ALA 435 H 0.09 0.43 -0.23 -0.55 8.40 8.15 1zmcH1 ALA 435 HA 0.18 0.01 0.38 -0.75 4.34 4.16 1zmcH1 ALA 435 HB3 0.16 0.04 0.06 -0.04 1.41 1.63 1zmcH1 LEU 436 H 0.07 0.62 -0.12 -0.55 8.37 8.39 1zmcH1 LEU 436 HA 0.06 0.03 0.41 -0.75 4.35 4.10 1zmcH1 LEU 436 HB2 0.04 0.14 0.12 -0.04 1.64 1.90 1zmcH1 LEU 436 HB3 0.02 0.02 -0.04 -0.04 1.64 1.59 1zmcH1 LEU 436 HG 0.04 -0.03 -0.02 -0.04 1.64 1.59 1zmcH1 LEU 436 HD13 0.06 -0.00 -0.13 -0.04 0.93 0.82 1zmcH1 LEU 436 HD23 0.03 -0.02 -0.19 -0.04 0.89 0.67 1zmcH1 GLU 437 H -0.02 0.48 -0.25 -0.55 8.60 8.26 1zmcH1 GLU 437 HA -0.05 -0.01 0.39 -0.75 4.29 3.86 1zmcH1 GLU 437 HB2 -0.11 0.11 0.16 -0.04 2.09 2.22 1zmcH1 GLU 437 HB3 -0.34 0.07 0.01 -0.04 1.99 1.69 1zmcH1 GLU 437 HG2 -0.17 -0.03 0.02 -0.04 2.34 2.13 1zmcH1 GLU 437 HG3 -0.16 0.00 0.10 -0.04 2.34 2.25 1zmcH1 TYR 438 H 0.09 0.35 -0.42 -0.55 8.29 7.76 1zmcH1 TYR 438 HA 0.02 0.18 0.88 -0.75 4.56 4.88 1zmcH1 TYR 438 HB2 0.02 0.05 0.07 -0.04 3.06 3.17 1zmcH1 TYR 438 HB3 0.02 -0.05 0.06 -0.04 2.98 2.97 1zmcH1 TYR 438 HD2 0.01 0.05 -0.00 -0.04 7.15 7.18 1zmcH1 TYR 438 HE2 0.01 -0.03 -0.04 -0.04 6.85 6.75 1zmcH1 GLY 439 H 0.09 0.36 -0.20 -0.55 8.43 8.13 1zmcH1 GLY 439 HA2 0.06 0.03 0.33 -0.51 4.01 3.92 1zmcH1 GLY 439 HA3 0.07 0.02 0.45 -0.51 4.01 4.04 1zmcH1 ALA 440 H 0.12 0.44 -0.03 -0.55 8.40 8.38 1zmcH1 ALA 440 HA 0.06 0.08 0.40 -0.75 4.34 4.13 1zmcH1 ALA 440 HB3 0.09 -0.02 0.03 -0.04 1.41 1.47 1zmcH1 SER 441 H 0.04 0.08 0.16 -0.55 8.46 8.18 1zmcH1 SER 441 HA 0.03 0.17 0.73 -0.75 4.49 4.66 1zmcH1 SER 441 HB2 0.02 0.05 0.07 -0.04 3.95 4.05 1zmcH1 SER 441 HB3 0.03 0.17 -0.00 -0.04 3.93 4.08 1zmcH1 CYS 442 H 0.02 0.69 0.25 -0.55 8.50 8.91 1zmcH1 CYS 442 HA -0.03 0.03 0.42 -0.75 4.58 4.24 1zmcH1 CYS 442 HB2 0.01 0.01 0.07 -0.04 2.97 3.02 1zmcH1 CYS 442 HB3 -0.03 0.21 0.09 -0.04 2.97 3.21 1zmcH1 GLU 443 H 0.01 0.15 -0.11 -0.55 8.60 8.11 1zmcH1 GLU 443 HA -0.00 0.09 0.39 -0.75 4.29 4.01 1zmcH1 GLU 443 HB2 0.02 0.06 0.05 -0.04 2.09 2.17 1zmcH1 GLU 443 HB3 0.01 -0.01 -0.00 -0.04 1.99 1.95 1zmcH1 GLU 443 HG2 -0.00 -0.01 -0.14 -0.04 2.34 2.15 1zmcH1 GLU 443 HG3 0.01 0.02 -0.03 -0.04 2.34 2.30 1zmcH1 ASP 444 H 0.01 0.02 -0.36 -0.55 8.40 7.53 1zmcH1 ASP 444 HA 0.01 0.07 0.30 -0.75 4.63 4.26 1zmcH1 ASP 444 HB2 0.03 0.24 0.12 -0.04 2.71 3.06 1zmcH1 ASP 444 HB3 0.02 0.05 -0.06 -0.04 2.70 2.67 1zmcH1 ILE 445 H 0.02 0.31 -0.38 -0.55 8.25 7.65 1zmcH1 ILE 445 HA 0.11 0.05 0.41 -0.75 4.18 4.00 1zmcH1 ILE 445 HB -0.06 0.09 0.07 -0.04 1.89 1.95 1zmcH1 ILE 445 HG12 0.17 -0.02 -0.08 -0.04 1.49 1.53 1zmcH1 ILE 445 HG13 0.07 0.03 -0.05 -0.04 1.21 1.22 1zmcH1 ILE 445 HG23 0.04 -0.02 -0.15 -0.04 0.93 0.77 1zmcH1 ILE 445 HD13 0.08 -0.02 -0.11 -0.04 0.88 0.79 1zmcH1 ALA 446 H -0.02 0.43 -0.11 -0.55 8.40 8.15 1zmcH1 ALA 446 HA -0.07 0.03 0.41 -0.75 4.34 3.96 1zmcH1 ALA 446 HB3 -0.05 -0.03 0.02 -0.04 1.41 1.31 1zmcH1 ARG 447 H 0.01 0.48 -0.38 -0.55 8.46 8.01 1zmcH1 ARG 447 HA -0.01 0.10 0.63 -0.75 4.34 4.32 1zmcH1 ARG 447 HB2 -0.00 0.10 0.02 -0.04 1.90 1.98 1zmcH1 ARG 447 HB3 -0.01 -0.07 0.08 -0.04 1.80 1.76 1zmcH1 ARG 447 HG2 -0.03 -0.02 -0.08 -0.04 1.67 1.50 1zmcH1 ARG 447 HG3 -0.02 0.02 -0.06 -0.04 1.67 1.57 1zmcH1 ARG 447 HD2 -0.01 -0.02 -0.09 -0.04 3.22 3.06 1zmcH1 ARG 447 HD3 -0.02 -0.02 -0.03 -0.04 3.22 3.11 1zmcH1 VAL 448 H 0.08 0.31 -0.38 -0.55 8.24 7.69 1zmcH1 VAL 448 HA 0.01 0.02 0.58 -0.75 4.13 3.99 1zmcH1 VAL 448 HB 0.15 0.09 0.10 -0.04 2.12 2.42 1zmcH1 VAL 448 HG13 -0.13 -0.03 -0.26 -0.04 0.97 0.51 1zmcH1 VAL 448 HG23 0.03 0.08 0.00 -0.04 0.95 1.02 1zmcH1 CYS 449 H 0.00 0.11 0.11 -0.55 8.50 8.17 1zmcH1 CYS 449 HA 0.07 0.07 0.40 -0.75 4.58 4.36 1zmcH1 CYS 449 HB2 0.01 0.04 0.11 -0.04 2.97 3.09 1zmcH1 CYS 449 HB3 -0.00 -0.05 0.15 -0.04 2.97 3.02 1zmcH1 HIS 450 H 0.23 0.17 0.20 -0.55 8.41 8.47 1zmcH1 HIS 450 HA 0.03 0.10 0.66 -0.75 4.63 4.66 1zmcH1 HIS 450 HB2 0.03 0.00 0.03 -0.04 3.26 3.28 1zmcH1 HIS 450 HB3 0.04 -0.10 -0.06 -0.04 3.20 3.03 1zmcH1 HIS 450 HD2 0.08 -0.18 -0.12 -0.04 6.97 6.70 1zmcH1 HIS 450 HE1 0.08 0.16 -0.01 -0.04 7.75 7.94 1zmcH1 ALA 451 H 0.08 0.05 0.07 -0.55 8.40 8.06 1zmcH1 ALA 451 HA 0.07 0.15 0.48 -0.75 4.34 4.29 1zmcH1 ALA 451 HB3 0.04 0.01 -0.02 -0.04 1.41 1.40 1zmcH1 HIS 452 H 0.13 0.27 0.14 -0.55 8.41 8.40 1zmcH1 HIS 452 HA 0.04 -0.08 0.89 -0.75 4.63 4.72 1zmcH1 HIS 452 HB2 0.03 0.05 0.00 -0.04 3.26 3.29 1zmcH1 HIS 452 HB3 0.02 0.05 0.12 -0.04 3.20 3.35 1zmcH1 HIS 452 HD2 0.02 0.05 -0.21 -0.04 6.97 6.79 1zmcH1 HIS 452 HE1 0.04 -0.02 0.03 -0.04 7.75 7.75 1zmcH1 PRO 453 HA -0.47 0.01 0.50 -0.51 4.44 3.97 1zmcH1 PRO 453 HB2 -0.24 -0.11 -0.14 -0.04 2.28 1.75 1zmcH1 PRO 453 HB3 -0.84 0.06 0.01 -0.04 2.02 1.21 1zmcH1 PRO 453 HG2 -0.10 0.01 0.10 -0.04 2.03 2.00 1zmcH1 PRO 453 HG3 -0.12 0.10 0.01 -0.04 2.03 1.98 1zmcH1 PRO 453 HD2 -0.05 0.11 0.35 -0.04 3.68 4.05 1zmcH1 PRO 453 HD3 -0.07 0.15 0.03 -0.04 3.65 3.73 1zmcH1 THR 454 H -0.04 0.25 0.27 -0.55 8.28 8.21 1zmcH1 THR 454 HA 0.01 0.27 0.80 -0.75 4.39 4.71 1zmcH1 THR 454 HB 0.05 -0.12 0.13 -0.04 4.32 4.34 1zmcH1 THR 454 HG23 0.02 0.03 -0.36 -0.04 1.22 0.87 1zmcH1 LEU 455 H 0.06 0.29 0.14 -0.55 8.37 8.31 1zmcH1 LEU 455 HA 0.22 0.05 0.51 -0.75 4.35 4.38 1zmcH1 LEU 455 HB2 0.08 0.00 0.03 -0.04 1.64 1.71 1zmcH1 LEU 455 HB3 0.20 0.14 0.02 -0.04 1.64 1.96 1zmcH1 LEU 455 HG 0.03 -0.02 0.01 -0.04 1.64 1.63 1zmcH1 LEU 455 HD13 -0.06 0.06 -0.23 -0.04 0.93 0.66 1zmcH1 LEU 455 HD23 0.01 0.01 -0.07 -0.04 0.89 0.81 1zmcH1 SER 456 H 0.10 0.13 -0.20 -0.55 8.46 7.95 1zmcH1 SER 456 HA 0.15 0.08 0.34 -0.75 4.49 4.30 1zmcH1 SER 456 HB2 0.24 0.07 0.07 -0.04 3.95 4.29 1zmcH1 SER 456 HB3 0.12 0.01 0.07 -0.04 3.93 4.09 1zmcH1 GLU 457 H 0.06 0.36 -0.65 -0.55 8.60 7.83 1zmcH1 GLU 457 HA -0.18 0.11 0.40 -0.75 4.29 3.88 1zmcH1 GLU 457 HB2 0.01 0.13 0.18 -0.04 2.09 2.37 1zmcH1 GLU 457 HB3 -0.07 0.00 0.07 -0.04 1.99 1.96 1zmcH1 GLU 457 HG2 0.05 0.05 -0.05 -0.04 2.34 2.35 1zmcH1 GLU 457 HG3 0.07 -0.00 0.09 -0.04 2.34 2.45 1zmcH1 ALA 458 H 0.01 0.57 -0.22 -0.55 8.40 8.22 1zmcH1 ALA 458 HA -0.55 0.07 0.40 -0.75 4.34 3.50 1zmcH1 ALA 458 HB3 -0.26 0.03 0.00 -0.04 1.41 1.14 1zmcH1 PHE 459 H 0.08 0.22 -0.31 -0.55 8.34 7.78 1zmcH1 PHE 459 HA -0.08 0.02 0.36 -0.75 4.62 4.16 1zmcH1 PHE 459 HB2 0.01 -0.06 0.02 -0.04 3.15 3.08 1zmcH1 PHE 459 HB3 -0.04 0.23 0.13 -0.04 3.06 3.34 1zmcH1 PHE 459 HD2 0.04 0.02 -0.16 -0.04 7.28 7.14 1zmcH1 PHE 459 HE2 0.05 0.01 -0.14 -0.04 7.38 7.26 1zmcH1 PHE 459 HZ 0.03 0.02 -0.11 -0.04 7.32 7.22 1zmcH1 ARG 460 H -0.23 0.42 -0.14 -0.55 8.46 7.96 1zmcH1 ARG 460 HA -0.35 0.09 0.34 -0.75 4.34 3.67 1zmcH1 ARG 460 HB2 -1.30 0.02 0.06 -0.04 1.90 0.63 1zmcH1 ARG 460 HB3 -0.43 -0.00 0.14 -0.04 1.80 1.47 1zmcH1 ARG 460 HG2 -0.21 -0.12 -0.15 -0.04 1.67 1.15 1zmcH1 ARG 460 HG3 -0.20 0.27 0.05 -0.04 1.67 1.76 1zmcH1 ARG 460 HD2 -0.12 -0.12 0.05 -0.04 3.22 2.99 1zmcH1 ARG 460 HD3 -0.14 -0.11 0.01 -0.04 3.22 2.93 1zmcH1 GLU 461 H -0.41 0.49 -0.26 -0.55 8.60 7.87 1zmcH1 GLU 461 HA -0.24 0.05 0.48 -0.75 4.29 3.83 1zmcH1 GLU 461 HB2 -1.25 0.11 0.14 -0.04 2.09 1.05 1zmcH1 GLU 461 HB3 -0.71 -0.11 0.00 -0.04 1.99 1.13 1zmcH1 GLU 461 HG2 -0.38 0.05 0.07 -0.04 2.34 2.04 1zmcH1 GLU 461 HG3 -0.84 0.04 0.02 -0.04 2.34 1.52 1zmcH1 ALA 462 H -0.25 0.55 -0.25 -0.55 8.40 7.90 1zmcH1 ALA 462 HA 0.03 0.02 0.16 -0.75 4.34 3.79 1zmcH1 ALA 462 HB3 -0.09 0.05 -0.09 -0.04 1.41 1.25 1zmcH1 ASN 463 H -0.28 0.38 -0.50 -0.55 8.53 7.59 1zmcH1 ASN 463 HA -0.13 -0.00 0.42 -0.75 4.76 4.29 1zmcH1 ASN 463 HB2 -0.31 0.20 0.11 -0.04 2.88 2.84 1zmcH1 ASN 463 HB3 -0.15 0.17 0.02 -0.04 2.79 2.79 1zmcH1 ASN 463 HD21 -1.14 -0.09 -0.08 -0.04 7.03 5.68 1zmcH1 ASN 463 HD22 -1.14 0.51 0.01 -0.04 7.74 7.08 1zmcH1 LEU 464 H -0.12 0.37 -0.19 -0.55 8.37 7.88 1zmcH1 LEU 464 HA -0.01 0.02 0.38 -0.75 4.35 3.99 1zmcH1 LEU 464 HB2 -0.08 0.08 0.14 -0.04 1.64 1.74 1zmcH1 LEU 464 HB3 -0.06 0.01 0.20 -0.04 1.64 1.74 1zmcH1 LEU 464 HG 0.03 0.30 -0.08 -0.04 1.64 1.85 1zmcH1 LEU 464 HD13 -0.12 -0.02 0.03 -0.04 0.93 0.78 1zmcH1 LEU 464 HD23 -0.08 -0.04 0.03 -0.04 0.89 0.75 1zmcH1 ALA 465 H 0.01 0.51 -0.35 -0.55 8.40 8.03 1zmcH1 ALA 465 HA 0.11 -0.03 -0.12 -0.75 4.34 3.55 1zmcH1 ALA 465 HB3 0.10 0.02 -0.01 -0.04 1.41 1.48 1zmcH1 ALA 466 H 0.01 0.37 -0.39 -0.55 8.40 7.84 1zmcH1 ALA 466 HA 0.03 0.11 0.05 -0.75 4.34 3.78 1zmcH1 ALA 466 HB3 0.01 -0.01 -0.08 -0.04 1.41 1.29 1zmcH1 SER 467 H 0.03 0.46 -0.32 -0.55 8.46 8.09 1zmcH1 SER 467 HA 0.04 0.07 0.47 -0.75 4.49 4.32 1zmcH1 SER 467 HB2 0.02 -0.16 -0.08 -0.04 3.95 3.70 1zmcH1 SER 467 HB3 0.05 0.06 0.05 -0.04 3.93 4.05 1zmcH1 PHE 468 H 0.19 0.68 0.08 -0.55 8.34 8.74 1zmcH1 PHE 468 HA -0.00 0.11 0.64 -0.75 4.62 4.61 1zmcH1 PHE 468 HB2 -0.01 -0.08 0.06 -0.04 3.15 3.08 1zmcH1 PHE 468 HB3 -0.00 0.15 0.12 -0.04 3.06 3.29 1zmcH1 PHE 468 HD2 -0.00 0.02 -0.01 -0.04 7.28 7.25 1zmcH1 PHE 468 HE2 -0.00 -0.01 -0.02 -0.04 7.38 7.30 1zmcH1 PHE 468 HZ -0.00 -0.02 -0.01 -0.04 7.32 7.24 1zmcH1 GLY 469 H 0.09 0.28 -0.21 -0.55 8.43 8.05 1zmcH1 GLY 469 HA2 -0.01 0.07 0.35 -0.51 4.01 3.91 1zmcH1 GLY 469 HA3 -0.12 0.15 0.91 -0.51 4.01 4.44 1zmcH1 LYS 470 H 0.27 0.19 -0.18 -0.55 8.42 8.14 1zmcH1 LYS 470 HA 0.11 0.12 0.95 -0.75 4.32 4.75 1zmcH1 LYS 470 HB2 0.33 -0.03 -0.06 -0.04 1.87 2.07 1zmcH1 LYS 470 HB3 0.13 0.09 0.01 -0.04 1.79 1.98 1zmcH1 LYS 470 HG2 0.02 0.05 -0.12 -0.04 1.46 1.37 1zmcH1 LYS 470 HG3 -0.04 -0.02 -0.42 -0.04 1.46 0.94 1zmcH1 LYS 470 HD2 0.10 -0.01 -0.07 -0.04 1.69 1.67 1zmcH1 LYS 470 HD3 0.08 0.01 -0.04 -0.04 1.68 1.69 1zmcH1 LYS 470 HE2 -0.02 0.00 -0.03 -0.04 2.99 2.91 1zmcH1 LYS 470 HE3 -0.06 0.01 -0.04 -0.04 2.99 2.86 1zmcH1 SER 471 H 0.17 0.09 0.12 -0.55 8.46 8.30 1zmcH1 SER 471 HA 0.07 0.17 0.67 -0.75 4.49 4.65 1zmcH1 SER 471 HB2 0.06 -0.07 0.17 -0.04 3.95 4.07 1zmcH1 SER 471 HB3 0.24 0.11 0.05 -0.04 3.93 4.29 1zmcH1 ILE 472 H 0.04 0.08 0.15 -0.55 8.25 7.97 1zmcH1 ILE 472 HA 0.06 0.26 0.74 -0.75 4.18 4.48 1zmcH1 ILE 472 HB 0.01 -0.07 0.13 -0.04 1.89 1.92 1zmcH1 ILE 472 HG12 -0.03 -0.05 -0.04 -0.04 1.49 1.33 1zmcH1 ILE 472 HG13 -0.04 0.03 0.01 -0.04 1.21 1.17 1zmcH1 ILE 472 HG23 0.02 0.02 -0.16 -0.04 0.93 0.77 1zmcH1 ILE 472 HD13 -0.03 0.03 -0.05 -0.04 0.88 0.79 1zmcH1 ASN 473 H 0.22 0.00 0.05 -0.55 8.53 8.25 1zmcH1 ASN 473 HA 0.15 0.29 0.80 -0.75 4.76 5.26 1zmcH1 ASN 473 HB2 0.42 -0.08 0.09 -0.04 2.88 3.27 1zmcH1 ASN 473 HB3 0.31 0.15 0.24 -0.04 2.79 3.45 1zmcH1 ASN 473 HD21 0.05 0.03 -0.00 -0.04 7.03 7.07 1zmcH1 ASN 473 HD22 0.04 -0.07 0.04 -0.04 7.74 7.72 1zmcH1 PHE 474 H 0.26 0.08 -0.55 -0.55 8.34 7.58 1zmcH1 PHE 474 HA -0.02 0.19 0.32 -0.75 4.62 4.35 1zmcH1 PHE 474 HB2 -0.37 0.11 -0.19 -0.04 3.15 2.65 1zmcH1 PHE 474 HB3 -0.09 -0.06 -0.05 -0.04 3.06 2.83 1zmcH1 PHE 474 HD2 -0.12 0.05 0.07 -0.04 7.28 7.25 1zmcH1 PHE 474 HE2 -0.08 0.01 0.02 -0.04 7.38 7.29 1zmcH1 PHE 474 HZ -0.07 -0.01 0.01 -0.04 7.32 7.21