============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. HIS 2 0.900 62.429 -3.878 -95.060 -99.200 -91.000 TYR 5 0.840 63.043 -12.715 -88.661 -99.200 -91.000 TYR 31 0.840 87.296 -10.882 -70.280 -99.200 -91.000 PHE 39 1.000 89.939 -22.349 -70.397 -99.200 -91.000 TYR 60 0.840 82.971 -12.158 -65.468 -99.200 -91.000 TYR 68 0.840 67.293 1.641 -78.292 -99.200 -91.000 PHE 74 1.000 65.410 -17.064 -75.055 -99.200 -91.000 PHE 77 1.000 68.214 -26.444 -69.716 -99.200 -91.000 TYR 80 0.840 75.827 -12.287 -73.299 -99.200 -91.000 TRP 85 1.040 65.099 -1.426 -79.992 -99.200 -91.000 TRP6 85 1.020 63.418 -1.746 -81.620 -99.200 -91.000 HIS 90 0.900 70.322 -4.549 -94.644 -99.200 -91.000 PHE 123 1.000 73.619 -35.893 -88.884 -99.200 -91.000 HIS 141 0.900 59.405 -15.045 -85.366 -99.200 -91.000 PHE 160 1.000 76.141 -22.672 -80.757 -99.200 -91.000 HIS 162 0.900 85.159 -25.603 -79.364 -99.200 -91.000 PHE 163 1.000 86.233 -19.654 -73.912 -99.200 -91.000 TYR 164 0.840 92.569 -26.894 -79.398 -99.200 -91.000 TYR 165 0.840 90.429 -27.547 -71.775 -99.200 -91.000 TYR 173 0.840 95.671 -24.262 -60.816 -99.200 -91.000 TYR 180 0.840 88.978 -22.895 -83.350 -99.200 -91.000 HIS 186 0.900 65.999 -16.934 -88.562 -99.200 -91.000 TYR 193 0.840 74.767 -20.882 -94.751 -99.200 -91.000 PHE 201 1.000 76.181 -25.556 -90.818 -99.200 -91.000 PHE 202 1.000 73.164 -28.596 -88.734 -99.200 -91.000 HIS 207 0.900 72.808 -38.699 -79.601 -99.200 -91.000 TYR 220 0.840 81.990 -33.017 -87.432 -99.200 -91.000 PHE 221 1.000 84.796 -25.740 -84.605 -99.200 -91.000 TRP 230 1.040 80.309 -14.180 -93.533 -99.200 -91.000 TRP6 230 1.020 78.662 -14.362 -91.842 -99.200 -91.000 HIS 236 0.900 96.849 -20.461 -81.842 -99.200 -91.000 TYR 237 0.840 94.775 -16.760 -75.717 -99.200 -91.000 TYR 243 0.840 95.624 -7.703 -74.764 -99.200 -91.000 TRP 248 1.040 86.380 -10.202 -90.133 -99.200 -91.000 TRP6 248 1.020 84.631 -11.075 -88.789 -99.200 -91.000 HIS 256 0.900 91.973 -15.706-102.038 -99.200 -91.000 PHE 262 1.000 90.380 -7.913 -84.876 -99.200 -91.000 PHE 264 1.000 94.419 -6.123 -79.294 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ezvA1 MET 1 HA -0.03 0.03 0.08 -0.75 4.52 3.85 2ezvA1 MET 1 HB2 -0.05 -0.07 -0.07 -0.04 2.15 1.92 2ezvA1 MET 1 HB3 0.00 -0.04 -0.06 -0.04 2.03 1.90 2ezvA1 MET 1 HG2 0.01 0.15 -0.15 -0.04 2.63 2.59 2ezvA1 MET 1 HG3 -0.03 -0.04 -0.01 -0.04 2.56 2.45 2ezvA1 MET 1 HE3 -0.01 -0.01 -0.06 -0.04 2.10 1.99 2ezvA1 HIS 2 H 0.13 0.67 0.34 -0.55 8.41 9.01 2ezvA1 HIS 2 HA 0.03 0.14 0.91 -0.75 4.63 4.96 2ezvA1 HIS 2 HB2 0.06 0.05 -0.13 -0.04 3.26 3.20 2ezvA1 HIS 2 HB3 0.03 -0.17 0.03 -0.04 3.20 3.05 2ezvA1 HIS 2 HD2 0.06 0.05 -0.07 -0.04 6.97 6.96 2ezvA1 HIS 2 HE1 0.00 -0.03 -0.03 -0.04 7.75 7.65 2ezvA1 GLN 3 H 0.15 -0.06 0.20 -0.55 8.47 8.21 2ezvA1 GLN 3 HA 0.19 0.31 0.80 -0.75 4.36 4.91 2ezvA1 GLN 3 HB2 0.10 -0.05 0.07 -0.04 2.15 2.23 2ezvA1 GLN 3 HB3 0.18 0.02 0.07 -0.04 2.02 2.26 2ezvA1 GLN 3 HG2 0.13 0.13 -0.07 -0.04 2.40 2.54 2ezvA1 GLN 3 HG3 0.07 -0.03 -0.23 -0.04 2.39 2.16 2ezvA1 GLN 3 HE21 0.07 -0.04 -0.02 -0.04 6.97 6.94 2ezvA1 GLN 3 HE22 0.06 0.07 -0.00 -0.04 7.69 7.77 2ezvA1 ASP 4 H 0.10 -0.06 0.16 -0.55 8.40 8.05 2ezvA1 ASP 4 HA 0.02 0.25 0.84 -0.75 4.63 4.98 2ezvA1 ASP 4 HB2 -0.01 0.06 0.13 -0.04 2.71 2.86 2ezvA1 ASP 4 HB3 -0.04 -0.03 0.22 -0.04 2.70 2.82 2ezvA1 TYR 5 H 0.19 0.36 0.14 -0.55 8.29 8.42 2ezvA1 TYR 5 HA -0.05 0.08 0.26 -0.75 4.56 4.11 2ezvA1 TYR 5 HB2 -0.08 0.02 0.06 -0.04 3.06 3.02 2ezvA1 TYR 5 HB3 -0.04 0.12 0.12 -0.04 2.98 3.14 2ezvA1 TYR 5 HD2 -0.13 0.07 -0.10 -0.04 7.15 6.94 2ezvA1 TYR 5 HE2 -0.15 -0.05 -0.12 -0.04 6.85 6.49 2ezvA1 ARG 6 H -0.74 0.04 -0.35 -0.55 8.46 6.86 2ezvA1 ARG 6 HA -0.43 0.10 0.40 -0.75 4.34 3.65 2ezvA1 ARG 6 HB2 -0.36 -0.03 0.00 -0.04 1.90 1.47 2ezvA1 ARG 6 HB3 -0.24 0.04 0.01 -0.04 1.80 1.58 2ezvA1 ARG 6 HG2 -0.42 0.03 0.01 -0.04 1.67 1.24 2ezvA1 ARG 6 HG3 -1.40 -0.06 -0.02 -0.04 1.67 0.15 2ezvA1 ARG 6 HD2 -0.14 0.02 -0.02 -0.04 3.22 3.05 2ezvA1 ARG 6 HD3 -0.11 0.00 -0.04 -0.04 3.22 3.04 2ezvA1 GLU 7 H -0.21 0.41 -0.33 -0.55 8.60 7.93 2ezvA1 GLU 7 HA -0.15 0.06 0.47 -0.75 4.29 3.92 2ezvA1 GLU 7 HB2 -0.19 0.18 0.12 -0.04 2.09 2.17 2ezvA1 GLU 7 HB3 -0.33 -0.01 0.05 -0.04 1.99 1.66 2ezvA1 GLU 7 HG2 -0.02 0.01 0.04 -0.04 2.34 2.34 2ezvA1 GLU 7 HG3 -0.06 -0.09 0.01 -0.04 2.34 2.16 2ezvA1 LEU 8 H -0.20 0.37 -0.41 -0.55 8.37 7.59 2ezvA1 LEU 8 HA -0.30 0.03 0.53 -0.75 4.35 3.86 2ezvA1 LEU 8 HB2 -0.07 0.13 0.05 -0.04 1.64 1.71 2ezvA1 LEU 8 HB3 -0.17 -0.14 0.01 -0.04 1.64 1.31 2ezvA1 LEU 8 HG -0.07 -0.03 -0.03 -0.04 1.64 1.47 2ezvA1 LEU 8 HD13 0.01 -0.01 -0.14 -0.04 0.93 0.76 2ezvA1 LEU 8 HD23 -0.15 0.01 -0.12 -0.04 0.89 0.59 2ezvA1 SER 9 H -0.12 0.05 0.17 -0.55 8.46 8.01 2ezvA1 SER 9 HA -0.04 0.20 0.50 -0.75 4.49 4.40 2ezvA1 SER 9 HB2 -0.01 -0.01 0.18 -0.04 3.95 4.07 2ezvA1 SER 9 HB3 -0.03 0.14 0.15 -0.04 3.93 4.15 2ezvA1 LEU 10 H 0.01 0.20 0.17 -0.55 8.37 8.20 2ezvA1 LEU 10 HA 0.06 0.14 0.41 -0.75 4.35 4.20 2ezvA1 LEU 10 HB2 0.04 -0.02 0.18 -0.04 1.64 1.80 2ezvA1 LEU 10 HB3 0.08 0.05 -0.03 -0.04 1.64 1.70 2ezvA1 LEU 10 HG 0.10 -0.01 -0.05 -0.04 1.64 1.64 2ezvA1 LEU 10 HD13 0.06 0.04 -0.05 -0.04 0.93 0.94 2ezvA1 LEU 10 HD23 0.05 0.02 0.04 -0.04 0.89 0.95 2ezvA1 ASP 11 H 0.03 0.10 -0.07 -0.55 8.40 7.92 2ezvA1 ASP 11 HA 0.11 0.13 0.38 -0.75 4.63 4.50 2ezvA1 ASP 11 HB2 0.03 -0.05 0.05 -0.04 2.71 2.71 2ezvA1 ASP 11 HB3 0.07 0.07 -0.02 -0.04 2.70 2.78 2ezvA1 GLU 12 H -0.04 0.07 -0.41 -0.55 8.60 7.67 2ezvA1 GLU 12 HA -0.07 0.10 0.45 -0.75 4.29 4.02 2ezvA1 GLU 12 HB2 -0.26 0.10 0.05 -0.04 2.09 1.94 2ezvA1 GLU 12 HB3 -1.03 0.04 0.01 -0.04 1.99 0.98 2ezvA1 GLU 12 HG2 -0.23 0.06 -0.00 -0.04 2.34 2.13 2ezvA1 GLU 12 HG3 -0.11 -0.13 0.02 -0.04 2.34 2.09 2ezvA1 LEU 13 H -0.01 0.46 -0.19 -0.55 8.37 8.08 2ezvA1 LEU 13 HA 0.03 0.05 0.38 -0.75 4.35 4.06 2ezvA1 LEU 13 HB2 0.04 0.13 0.04 -0.04 1.64 1.80 2ezvA1 LEU 13 HB3 0.08 0.09 0.11 -0.04 1.64 1.88 2ezvA1 LEU 13 HG 0.08 -0.04 -0.14 -0.04 1.64 1.49 2ezvA1 LEU 13 HD13 -0.02 0.00 0.05 -0.04 0.93 0.91 2ezvA1 LEU 13 HD23 -0.01 -0.00 -0.05 -0.04 0.89 0.79 2ezvA1 GLU 14 H 0.13 0.49 -0.26 -0.55 8.60 8.41 2ezvA1 GLU 14 HA 0.29 0.01 0.42 -0.75 4.29 4.26 2ezvA1 GLU 14 HB2 0.26 0.14 0.12 -0.04 2.09 2.57 2ezvA1 GLU 14 HB3 0.57 -0.02 0.03 -0.04 1.99 2.53 2ezvA1 GLU 14 HG2 0.28 -0.09 0.01 -0.04 2.34 2.50 2ezvA1 GLU 14 HG3 0.21 0.22 0.02 -0.04 2.34 2.74 2ezvA1 SER 15 H 0.10 0.32 -0.35 -0.55 8.46 7.98 2ezvA1 SER 15 HA -0.07 0.01 0.36 -0.75 4.49 4.03 2ezvA1 SER 15 HB2 0.06 -0.05 0.10 -0.04 3.95 4.01 2ezvA1 SER 15 HB3 0.12 0.05 0.16 -0.04 3.93 4.22 2ezvA1 VAL 16 H 0.09 0.38 -0.35 -0.55 8.24 7.81 2ezvA1 VAL 16 HA 0.04 0.07 0.50 -0.75 4.13 3.98 2ezvA1 VAL 16 HB 0.08 0.00 0.03 -0.04 2.12 2.19 2ezvA1 VAL 16 HG13 0.09 0.12 0.12 -0.04 0.97 1.25 2ezvA1 VAL 16 HG23 0.04 -0.01 -0.20 -0.04 0.95 0.74 2ezvA1 GLU 17 H 0.11 0.38 -0.12 -0.55 8.60 8.43 2ezvA1 GLU 17 HA 0.10 0.05 0.39 -0.75 4.29 4.07 2ezvA1 GLU 17 HB2 0.37 0.09 0.12 -0.04 2.09 2.63 2ezvA1 GLU 17 HB3 0.29 0.02 -0.05 -0.04 1.99 2.20 2ezvA1 GLU 17 HG2 0.11 -0.01 0.02 -0.04 2.34 2.42 2ezvA1 GLU 17 HG3 0.13 0.12 0.06 -0.04 2.34 2.61 2ezvA1 LYS 18 H -0.12 0.58 -0.16 -0.55 8.42 8.17 2ezvA1 LYS 18 HA -0.50 0.06 0.36 -0.75 4.32 3.49 2ezvA1 LYS 18 HB2 -1.69 0.06 0.06 -0.04 1.87 0.26 2ezvA1 LYS 18 HB3 -0.53 0.07 0.12 -0.04 1.79 1.41 2ezvA1 LYS 18 HG2 -0.43 -0.02 -0.15 -0.04 1.46 0.82 2ezvA1 LYS 18 HG3 -1.45 0.02 0.01 -0.04 1.46 -0.01 2ezvA1 LYS 18 HD2 -1.90 -0.02 -0.03 -0.04 1.69 -0.30 2ezvA1 LYS 18 HD3 -0.56 -0.00 -0.02 -0.04 1.68 1.05 2ezvA1 LYS 18 HE2 -0.11 0.00 -0.02 -0.04 2.99 2.82 2ezvA1 LYS 18 HE3 -0.36 0.03 0.02 -0.04 2.99 2.64 2ezvA1 GLN 19 H -0.13 0.57 -0.15 -0.55 8.47 8.22 2ezvA1 GLN 19 HA -0.17 0.00 0.46 -0.75 4.36 3.89 2ezvA1 GLN 19 HB2 -0.10 -0.05 0.09 -0.04 2.15 2.05 2ezvA1 GLN 19 HB3 -0.10 0.05 0.14 -0.04 2.02 2.08 2ezvA1 GLN 19 HG2 -0.02 0.13 0.15 -0.04 2.40 2.62 2ezvA1 GLN 19 HG3 -0.03 -0.00 -0.29 -0.04 2.39 2.02 2ezvA1 GLN 19 HE21 -0.01 0.34 0.10 -0.04 6.97 7.35 2ezvA1 GLN 19 HE22 -0.01 -0.05 -0.07 -0.04 7.69 7.52 2ezvA1 THR 20 H -0.01 0.40 -0.43 -0.55 8.28 7.68 2ezvA1 THR 20 HA -0.00 0.04 0.42 -0.75 4.39 4.09 2ezvA1 THR 20 HB 0.05 0.15 0.12 -0.04 4.32 4.60 2ezvA1 THR 20 HG23 0.03 -0.03 -0.17 -0.04 1.22 1.02 2ezvA1 LEU 21 H 0.07 0.54 -0.19 -0.55 8.37 8.24 2ezvA1 LEU 21 HA 0.11 -0.01 0.37 -0.75 4.35 4.07 2ezvA1 LEU 21 HB2 0.26 0.12 0.09 -0.04 1.64 2.07 2ezvA1 LEU 21 HB3 0.35 0.11 0.10 -0.04 1.64 2.17 2ezvA1 LEU 21 HG 0.25 -0.02 -0.13 -0.04 1.64 1.69 2ezvA1 LEU 21 HD13 0.46 0.00 -0.11 -0.04 0.93 1.25 2ezvA1 LEU 21 HD23 0.17 -0.04 -0.11 -0.04 0.89 0.87 2ezvA1 ARG 22 H -0.06 0.56 -0.11 -0.55 8.46 8.30 2ezvA1 ARG 22 HA -0.58 0.01 0.38 -0.75 4.34 3.40 2ezvA1 ARG 22 HB2 -0.77 0.04 0.09 -0.04 1.90 1.22 2ezvA1 ARG 22 HB3 -0.38 0.09 0.10 -0.04 1.80 1.57 2ezvA1 ARG 22 HG2 -0.69 -0.02 -0.04 -0.04 1.67 0.87 2ezvA1 ARG 22 HG3 -0.59 -0.01 -0.21 -0.04 1.67 0.82 2ezvA1 ARG 22 HD2 -1.56 -0.03 0.06 -0.04 3.22 1.65 2ezvA1 ARG 22 HD3 -2.87 0.02 -0.01 -0.04 3.22 0.31 2ezvA1 THR 23 H -0.12 0.44 -0.34 -0.55 8.28 7.70 2ezvA1 THR 23 HA -0.14 0.00 0.41 -0.75 4.39 3.91 2ezvA1 THR 23 HB -0.04 0.14 0.11 -0.04 4.32 4.49 2ezvA1 THR 23 HG23 -0.03 -0.01 -0.05 -0.04 1.22 1.09 2ezvA1 ILE 24 H -0.02 0.43 -0.21 -0.55 8.25 7.89 2ezvA1 ILE 24 HA -0.02 0.04 0.42 -0.75 4.18 3.86 2ezvA1 ILE 24 HB 0.03 0.13 0.10 -0.04 1.89 2.11 2ezvA1 ILE 24 HG12 -0.02 -0.05 -0.04 -0.04 1.49 1.33 2ezvA1 ILE 24 HG13 0.00 0.16 0.03 -0.04 1.21 1.36 2ezvA1 ILE 24 HG23 -0.00 -0.03 -0.17 -0.04 0.93 0.69 2ezvA1 ILE 24 HD13 0.02 -0.03 -0.14 -0.04 0.88 0.69 2ezvA1 VAL 25 H 0.01 0.58 -0.20 -0.55 8.24 8.08 2ezvA1 VAL 25 HA 0.06 -0.01 0.33 -0.75 4.13 3.76 2ezvA1 VAL 25 HB 0.03 0.12 0.09 -0.04 2.12 2.32 2ezvA1 VAL 25 HG13 0.23 -0.02 -0.16 -0.04 0.97 0.99 2ezvA1 VAL 25 HG23 0.28 0.02 -0.02 -0.04 0.95 1.19 2ezvA1 GLN 26 H -0.11 0.46 -0.30 -0.55 8.47 7.97 2ezvA1 GLN 26 HA 0.07 0.01 0.45 -0.75 4.36 4.13 2ezvA1 GLN 26 HB2 -0.11 0.21 0.18 -0.04 2.15 2.39 2ezvA1 GLN 26 HB3 -0.00 -0.05 -0.05 -0.04 2.02 1.88 2ezvA1 GLN 26 HG2 -0.44 -0.01 -0.00 -0.04 2.40 1.90 2ezvA1 GLN 26 HG3 -0.23 0.00 0.02 -0.04 2.39 2.14 2ezvA1 GLN 26 HE21 0.25 0.29 0.15 -0.04 6.97 7.62 2ezvA1 GLN 26 HE22 -0.22 -0.05 -0.01 -0.04 7.69 7.37 2ezvA1 ALA 27 H -0.00 0.45 -0.21 -0.55 8.40 8.09 2ezvA1 ALA 27 HA 0.06 0.02 0.39 -0.75 4.34 4.04 2ezvA1 ALA 27 HB3 -0.01 0.12 0.04 -0.04 1.41 1.53 2ezvA1 LEU 28 H 0.04 0.57 -0.14 -0.55 8.37 8.29 2ezvA1 LEU 28 HA 0.15 0.01 0.37 -0.75 4.35 4.13 2ezvA1 LEU 28 HB2 0.03 0.10 0.03 -0.04 1.64 1.75 2ezvA1 LEU 28 HB3 0.02 -0.07 -0.06 -0.04 1.64 1.49 2ezvA1 LEU 28 HG 0.02 0.08 -0.06 -0.04 1.64 1.64 2ezvA1 LEU 28 HD13 -0.00 -0.01 -0.15 -0.04 0.93 0.73 2ezvA1 LEU 28 HD23 0.10 -0.02 -0.11 -0.04 0.89 0.82 2ezvA1 GLN 29 H 0.07 0.52 -0.33 -0.55 8.47 8.19 2ezvA1 GLN 29 HA -0.09 -0.05 0.39 -0.75 4.36 3.86 2ezvA1 GLN 29 HB2 0.16 0.03 0.08 -0.04 2.15 2.37 2ezvA1 GLN 29 HB3 0.15 0.13 0.21 -0.04 2.02 2.47 2ezvA1 GLN 29 HG2 -0.12 -0.01 -0.09 -0.04 2.40 2.14 2ezvA1 GLN 29 HG3 -0.61 -0.01 -0.33 -0.04 2.39 1.41 2ezvA1 GLN 29 HE21 -0.56 0.54 -0.07 -0.04 6.97 6.84 2ezvA1 GLN 29 HE22 -2.26 -0.06 -0.08 -0.04 7.69 5.25 2ezvA1 GLN 30 H 0.10 0.75 -0.08 -0.55 8.47 8.69 2ezvA1 GLN 30 HA 0.17 0.04 0.44 -0.75 4.36 4.27 2ezvA1 GLN 30 HB2 0.16 0.12 0.11 -0.04 2.15 2.49 2ezvA1 GLN 30 HB3 0.21 -0.03 0.01 -0.04 2.02 2.17 2ezvA1 GLN 30 HG2 0.35 0.01 0.09 -0.04 2.40 2.81 2ezvA1 GLN 30 HG3 0.19 0.15 0.11 -0.04 2.39 2.81 2ezvA1 GLN 30 HE21 0.09 -0.04 -0.04 -0.04 6.97 6.94 2ezvA1 GLN 30 HE22 0.13 0.10 -0.05 -0.04 7.69 7.83 2ezvA1 TYR 31 H 0.21 0.31 -0.54 -0.55 8.29 7.73 2ezvA1 TYR 31 HA 0.08 0.09 0.75 -0.75 4.56 4.73 2ezvA1 TYR 31 HB2 0.08 0.16 0.07 -0.04 3.06 3.33 2ezvA1 TYR 31 HB3 0.07 0.04 0.06 -0.04 2.98 3.11 2ezvA1 TYR 31 HD2 0.10 0.05 -0.03 -0.04 7.15 7.23 2ezvA1 TYR 31 HE2 0.11 -0.02 -0.02 -0.04 6.85 6.88 2ezvA1 SER 32 H 0.07 0.45 -0.33 -0.55 8.46 8.10 2ezvA1 SER 32 HA 0.06 -0.01 0.38 -0.75 4.49 4.16 2ezvA1 SER 32 HB2 -0.13 -0.08 0.09 -0.04 3.95 3.80 2ezvA1 SER 32 HB3 -0.09 0.17 0.20 -0.04 3.93 4.17 2ezvA1 LYS 33 H -0.39 0.23 -0.20 -0.55 8.42 7.50 2ezvA1 LYS 33 HA -0.28 0.34 0.41 -0.75 4.32 4.04 2ezvA1 LYS 33 HB2 -1.86 -0.01 -0.04 -0.04 1.87 -0.09 2ezvA1 LYS 33 HB3 -0.65 0.04 0.05 -0.04 1.79 1.19 2ezvA1 LYS 33 HG2 -0.25 -0.02 -0.22 -0.04 1.46 0.94 2ezvA1 LYS 33 HG3 -0.30 0.01 -0.02 -0.04 1.46 1.11 2ezvA1 LYS 33 HD2 -0.39 -0.03 -0.03 -0.04 1.69 1.19 2ezvA1 LYS 33 HD3 -0.17 0.04 -0.02 -0.04 1.68 1.50 2ezvA1 LYS 33 HE2 -0.05 -0.02 -0.01 -0.04 2.99 2.87 2ezvA1 LYS 33 HE3 0.05 -0.01 -0.01 -0.04 2.99 2.99 2ezvA1 GLU 34 H -0.36 0.23 -0.17 -0.55 8.60 7.75 2ezvA1 GLU 34 HA -0.20 0.04 0.49 -0.75 4.29 3.87 2ezvA1 GLU 34 HB2 -0.24 0.00 0.09 -0.04 2.09 1.90 2ezvA1 GLU 34 HB3 -0.90 0.15 0.11 -0.04 1.99 1.31 2ezvA1 GLU 34 HG2 -0.27 -0.01 -0.20 -0.04 2.34 1.81 2ezvA1 GLU 34 HG3 -0.12 -0.06 0.06 -0.04 2.34 2.17 2ezvA1 ALA 35 H -0.39 0.61 -0.12 -0.55 8.40 7.95 2ezvA1 ALA 35 HA 0.05 -0.03 0.37 -0.75 4.34 3.97 2ezvA1 ALA 35 HB3 0.20 0.04 0.02 -0.04 1.41 1.63 2ezvA1 LYS 36 H -0.04 0.57 -0.28 -0.55 8.42 8.11 2ezvA1 LYS 36 HA -0.12 -0.04 0.40 -0.75 4.32 3.81 2ezvA1 LYS 36 HB2 -0.21 0.18 0.17 -0.04 1.87 1.97 2ezvA1 LYS 36 HB3 -0.16 0.12 0.16 -0.04 1.79 1.87 2ezvA1 LYS 36 HG2 -0.24 -0.09 -0.06 -0.04 1.46 1.03 2ezvA1 LYS 36 HG3 -0.69 -0.06 0.07 -0.04 1.46 0.73 2ezvA1 LYS 36 HD2 -0.52 0.10 -0.01 -0.04 1.69 1.23 2ezvA1 LYS 36 HD3 -0.19 -0.01 0.04 -0.04 1.68 1.49 2ezvA1 LYS 36 HE2 -0.17 0.04 -0.05 -0.04 2.99 2.77 2ezvA1 LYS 36 HE3 -0.21 -0.08 -0.03 -0.04 2.99 2.63 2ezvA1 SER 37 H -0.08 0.38 -0.17 -0.55 8.46 8.03 2ezvA1 SER 37 HA -0.03 0.01 0.41 -0.75 4.49 4.13 2ezvA1 SER 37 HB2 -0.06 0.02 0.12 -0.04 3.95 3.99 2ezvA1 SER 37 HB3 -0.06 0.12 0.20 -0.04 3.93 4.14 2ezvA1 ILE 38 H -0.00 0.63 -0.05 -0.55 8.25 8.28 2ezvA1 ILE 38 HA 0.01 0.00 0.36 -0.75 4.18 3.79 2ezvA1 ILE 38 HB 0.10 0.07 0.10 -0.04 1.89 2.13 2ezvA1 ILE 38 HG12 0.01 0.19 0.06 -0.04 1.49 1.71 2ezvA1 ILE 38 HG13 0.14 -0.03 -0.03 -0.04 1.21 1.25 2ezvA1 ILE 38 HG23 0.06 -0.02 -0.13 -0.04 0.93 0.80 2ezvA1 ILE 38 HD13 0.02 -0.02 -0.03 -0.04 0.88 0.81 2ezvA1 PHE 39 H 0.18 0.66 -0.16 -0.55 8.34 8.46 2ezvA1 PHE 39 HA -0.07 -0.03 0.37 -0.75 4.62 4.14 2ezvA1 PHE 39 HB2 0.04 0.16 0.08 -0.04 3.15 3.40 2ezvA1 PHE 39 HB3 -0.01 0.02 0.04 -0.04 3.06 3.07 2ezvA1 PHE 39 HD2 -0.09 0.03 -0.29 -0.04 7.28 6.89 2ezvA1 PHE 39 HE2 -0.32 -0.03 -0.13 -0.04 7.38 6.86 2ezvA1 PHE 39 HZ -0.56 -0.06 -0.05 -0.04 7.32 6.61 2ezvA1 GLU 40 H 0.11 0.60 -0.08 -0.55 8.60 8.69 2ezvA1 GLU 40 HA 0.11 0.06 0.64 -0.75 4.29 4.33 2ezvA1 GLU 40 HB2 0.03 0.06 0.13 -0.04 2.09 2.26 2ezvA1 GLU 40 HB3 0.05 -0.02 0.21 -0.04 1.99 2.19 2ezvA1 GLU 40 HG2 0.13 -0.14 -0.03 -0.04 2.34 2.26 2ezvA1 GLU 40 HG3 0.04 0.20 0.16 -0.04 2.34 2.70 2ezvA1 THR 41 H 0.04 0.62 -0.02 -0.55 8.28 8.37 2ezvA1 THR 41 HA 0.28 0.20 1.08 -0.75 4.39 5.19 2ezvA1 THR 41 HB 0.10 -0.01 0.16 -0.04 4.32 4.53 2ezvA1 THR 41 HG23 0.03 -0.01 -0.05 -0.04 1.22 1.15 2ezvA1 THR 42 H -0.06 0.29 -0.23 -0.55 8.28 7.73 2ezvA1 THR 42 HA -0.11 0.01 0.63 -0.75 4.39 4.16 2ezvA1 THR 42 HB -0.19 0.07 0.13 -0.04 4.32 4.30 2ezvA1 THR 42 HG23 -0.15 -0.01 -0.13 -0.04 1.22 0.89 2ezvA1 ALA 43 H -0.30 0.11 0.18 -0.55 8.40 7.85 2ezvA1 ALA 43 HA -1.57 0.03 0.32 -0.75 4.34 2.38 2ezvA1 ALA 43 HB3 -0.21 0.01 0.07 -0.04 1.41 1.24 2ezvA1 ALA 44 H -0.42 0.12 0.16 -0.55 8.40 7.72 2ezvA1 ALA 44 HA -0.20 0.08 0.57 -0.75 4.34 4.04 2ezvA1 ALA 44 HB3 -0.10 -0.02 0.10 -0.04 1.41 1.35 2ezvA1 ASP 45 H -0.11 0.22 0.13 -0.55 8.40 8.09 2ezvA1 ASP 45 HA -0.06 0.15 0.89 -0.75 4.63 4.86 2ezvA1 ASP 45 HB2 -0.07 -0.00 0.17 -0.04 2.71 2.77 2ezvA1 ASP 45 HB3 -0.05 0.02 0.04 -0.04 2.70 2.67 2ezvA1 SER 46 H -0.03 0.19 0.06 -0.55 8.46 8.14 2ezvA1 SER 46 HA -0.02 -0.00 0.31 -0.75 4.49 4.03 2ezvA1 SER 46 HB2 -0.01 -0.04 0.16 -0.04 3.95 4.02 2ezvA1 SER 46 HB3 -0.02 -0.06 -0.14 -0.04 3.93 3.67 2ezvA1 SER 47 H -0.04 -0.05 -0.52 -0.55 8.46 7.29 2ezvA1 SER 47 HA -0.03 -0.05 0.30 -0.75 4.49 3.95 2ezvA1 GLY 48 H -0.01 0.13 0.17 -0.55 8.43 8.17 2ezvA1 GLY 48 HA2 -0.01 -0.02 0.36 -0.51 4.01 3.83 2ezvA1 GLY 48 HA3 -0.01 0.20 0.45 -0.51 4.01 4.13 2ezvA1 GLU 49 H -0.09 -0.03 -0.46 -0.55 8.60 7.47 2ezvA1 GLU 49 HA -0.11 0.20 0.49 -0.75 4.29 4.11 2ezvA1 GLU 49 HB2 -0.14 -0.13 0.02 -0.04 2.09 1.80 2ezvA1 GLU 49 HB3 -0.22 0.14 -0.11 -0.04 1.99 1.76 2ezvA1 GLU 49 HG2 -0.11 0.19 0.10 -0.04 2.34 2.48 2ezvA1 GLU 49 HG3 -0.14 -0.84 0.23 -0.04 2.34 1.56 2ezvA1 VAL 50 H -0.21 0.06 -0.10 -0.55 8.24 7.43 2ezvA1 VAL 50 HA -0.58 0.16 0.32 -0.75 4.13 3.28 2ezvA1 VAL 50 HB -0.39 0.05 0.01 -0.04 2.12 1.75 2ezvA1 VAL 50 HG13 -0.79 0.03 -0.02 -0.04 0.97 0.14 2ezvA1 VAL 50 HG23 -0.07 -0.02 -0.12 -0.04 0.95 0.70 2ezvA1 ILE 51 H -0.11 0.16 -0.76 -0.55 8.25 7.00 2ezvA1 ILE 51 HA -0.04 0.02 0.38 -0.75 4.18 3.79 2ezvA1 ILE 51 HB -0.05 0.16 0.16 -0.04 1.89 2.12 2ezvA1 ILE 51 HG12 0.01 -0.03 0.06 -0.04 1.49 1.48 2ezvA1 ILE 51 HG13 -0.02 -0.17 0.01 -0.04 1.21 0.98 2ezvA1 ILE 51 HG23 -0.00 -0.00 -0.09 -0.04 0.93 0.80 2ezvA1 ILE 51 HD13 0.01 0.04 0.10 -0.04 0.88 0.99 2ezvA1 VAL 52 H -0.10 0.30 -0.03 -0.55 8.24 7.86 2ezvA1 VAL 52 HA -0.08 0.04 0.45 -0.75 4.13 3.79 2ezvA1 VAL 52 HB -0.07 0.01 0.13 -0.04 2.12 2.15 2ezvA1 VAL 52 HG13 -0.11 0.07 -0.00 -0.04 0.97 0.89 2ezvA1 VAL 52 HG23 -0.06 -0.00 0.04 -0.04 0.95 0.88 2ezvA1 LEU 53 H -0.21 0.36 -0.31 -0.55 8.37 7.67 2ezvA1 LEU 53 HA -0.14 0.06 0.38 -0.75 4.35 3.90 2ezvA1 LEU 53 HB2 -0.50 0.02 0.11 -0.04 1.64 1.22 2ezvA1 LEU 53 HB3 -0.36 0.01 -0.06 -0.04 1.64 1.18 2ezvA1 LEU 53 HG -0.32 0.16 -0.14 -0.04 1.64 1.30 2ezvA1 LEU 53 HD13 -0.70 -0.00 -0.05 -0.04 0.93 0.14 2ezvA1 LEU 53 HD23 -0.18 0.02 -0.09 -0.04 0.89 0.59 2ezvA1 ALA 54 H -0.21 0.58 -0.17 -0.55 8.40 8.05 2ezvA1 ALA 54 HA -1.03 0.03 0.36 -0.75 4.34 2.95 2ezvA1 ALA 54 HB3 -0.23 0.02 -0.01 -0.04 1.41 1.15 2ezvA1 GLU 55 H -0.12 0.41 -0.17 -0.55 8.60 8.17 2ezvA1 GLU 55 HA -0.04 -0.00 0.43 -0.75 4.29 3.93 2ezvA1 GLU 55 HB2 -0.07 0.04 0.14 -0.04 2.09 2.16 2ezvA1 GLU 55 HB3 -0.04 0.00 0.05 -0.04 1.99 1.96 2ezvA1 GLU 55 HG2 0.00 -0.08 0.06 -0.04 2.34 2.28 2ezvA1 GLU 55 HG3 -0.04 0.40 0.13 -0.04 2.34 2.79 2ezvA1 ASP 56 H -0.13 0.63 -0.09 -0.55 8.40 8.26 2ezvA1 ASP 56 HA -0.32 0.01 0.42 -0.75 4.63 3.98 2ezvA1 ASP 56 HB2 -0.08 0.13 0.16 -0.04 2.71 2.88 2ezvA1 ASP 56 HB3 -0.20 -0.05 -0.01 -0.04 2.70 2.40 2ezvA1 ILE 57 H -0.07 0.66 -0.12 -0.55 8.25 8.17 2ezvA1 ILE 57 HA 0.33 -0.00 0.35 -0.75 4.18 4.10 2ezvA1 ILE 57 HB 0.05 0.06 0.09 -0.04 1.89 2.05 2ezvA1 ILE 57 HG12 0.07 0.32 0.12 -0.04 1.49 1.96 2ezvA1 ILE 57 HG13 0.19 -0.05 -0.05 -0.04 1.21 1.25 2ezvA1 ILE 57 HG23 0.58 -0.02 -0.15 -0.04 0.93 1.30 2ezvA1 ILE 57 HD13 0.28 -0.05 0.02 -0.04 0.88 1.09 2ezvA1 THR 58 H 0.01 0.46 -0.26 -0.55 8.28 7.94 2ezvA1 THR 58 HA 0.08 -0.00 0.29 -0.75 4.39 4.01 2ezvA1 THR 58 HB -0.01 0.16 0.08 -0.04 4.32 4.51 2ezvA1 THR 58 HG23 -0.07 -0.03 -0.16 -0.04 1.22 0.92 2ezvA1 GLN 59 H -0.17 0.40 -0.29 -0.55 8.47 7.87 2ezvA1 GLN 59 HA -0.16 0.02 0.45 -0.75 4.36 3.92 2ezvA1 GLN 59 HB2 -0.02 0.02 0.08 -0.04 2.15 2.19 2ezvA1 GLN 59 HB3 -0.34 0.10 0.17 -0.04 2.02 1.92 2ezvA1 GLN 59 HG2 -0.05 0.01 -0.32 -0.04 2.40 2.00 2ezvA1 GLN 59 HG3 0.15 -0.05 0.02 -0.04 2.39 2.47 2ezvA1 GLN 59 HE21 0.01 -0.02 0.00 -0.04 6.97 6.92 2ezvA1 GLN 59 HE22 0.06 -0.01 -0.03 -0.04 7.69 7.67 2ezvA1 TYR 60 H -0.32 0.57 -0.01 -0.55 8.29 7.98 2ezvA1 TYR 60 HA -0.13 0.01 0.39 -0.75 4.56 4.08 2ezvA1 TYR 60 HB2 -0.38 0.08 0.11 -0.04 3.06 2.83 2ezvA1 TYR 60 HB3 -0.27 -0.03 0.01 -0.04 2.98 2.64 2ezvA1 TYR 60 HD2 0.06 -0.02 -0.07 -0.04 7.15 7.09 2ezvA1 TYR 60 HE2 0.03 -0.03 -0.04 -0.04 6.85 6.77 2ezvA1 ALA 61 H -0.35 0.56 -0.22 -0.55 8.40 7.85 2ezvA1 ALA 61 HA -0.47 0.06 0.41 -0.75 4.34 3.59 2ezvA1 ALA 61 HB3 -0.07 0.00 -0.09 -0.04 1.41 1.21 2ezvA1 LEU 62 H -0.22 0.41 -0.22 -0.55 8.37 7.79 2ezvA1 LEU 62 HA -0.10 0.16 0.73 -0.75 4.35 4.39 2ezvA1 LEU 62 HB2 -0.83 0.04 0.02 -0.04 1.64 0.82 2ezvA1 LEU 62 HB3 -0.31 -0.05 -0.03 -0.04 1.64 1.21 2ezvA1 LEU 62 HG -0.32 0.37 0.07 -0.04 1.64 1.72 2ezvA1 LEU 62 HD13 -0.38 -0.03 -0.11 -0.04 0.93 0.37 2ezvA1 LEU 62 HD23 -0.09 -0.04 -0.18 -0.04 0.89 0.53 2ezvA1 GLU 63 H -0.02 0.76 0.04 -0.55 8.60 8.83 2ezvA1 GLU 63 HA 0.23 0.01 0.33 -0.75 4.29 4.10 2ezvA1 GLU 63 HB2 0.12 -0.07 0.11 -0.04 2.09 2.22 2ezvA1 GLU 63 HB3 0.23 -0.02 0.13 -0.04 1.99 2.28 2ezvA1 GLU 63 HG2 0.07 0.33 0.18 -0.04 2.34 2.88 2ezvA1 GLU 63 HG3 0.08 -0.01 -0.17 -0.04 2.34 2.20 2ezvA1 VAL 64 H 0.01 0.14 -0.96 -0.55 8.24 6.88 2ezvA1 VAL 64 HA 0.04 0.08 0.60 -0.75 4.13 4.09 2ezvA1 VAL 64 HB 0.00 0.16 -0.03 -0.04 2.12 2.22 2ezvA1 VAL 64 HG13 0.03 0.01 -0.12 -0.04 0.97 0.85 2ezvA1 VAL 64 HG23 0.04 -0.03 0.02 -0.04 0.95 0.93 2ezvA1 ALA 65 H 0.03 0.59 -0.20 -0.55 8.40 8.28 2ezvA1 ALA 65 HA 0.03 0.19 0.94 -0.75 4.34 4.74 2ezvA1 ALA 65 HB3 0.01 -0.01 0.08 -0.04 1.41 1.44 2ezvA1 GLU 66 H 0.06 0.12 -0.27 -0.55 8.60 7.96 2ezvA1 GLU 66 HA 0.08 0.11 0.52 -0.75 4.29 4.24 2ezvA1 GLU 66 HB2 0.07 0.03 -0.00 -0.04 2.09 2.15 2ezvA1 GLU 66 HB3 0.08 0.00 0.06 -0.04 1.99 2.09 2ezvA1 GLU 66 HG2 0.16 0.08 -0.08 -0.04 2.34 2.46 2ezvA1 GLU 66 HG3 0.11 -0.02 -0.01 -0.04 2.34 2.37 2ezvA1 THR 67 H 0.08 0.21 0.13 -0.55 8.28 8.15 2ezvA1 THR 67 HA 0.09 0.15 0.83 -0.75 4.39 4.70 2ezvA1 THR 67 HB 0.14 -0.04 0.14 -0.04 4.32 4.51 2ezvA1 THR 67 HG23 0.05 0.01 -0.17 -0.04 1.22 1.07 2ezvA1 TYR 68 H 0.21 0.09 0.13 -0.55 8.29 8.17 2ezvA1 TYR 68 HA 0.10 0.04 0.39 -0.75 4.56 4.33 2ezvA1 TYR 68 HB2 0.09 -0.01 0.16 -0.04 3.06 3.25 2ezvA1 TYR 68 HB3 0.25 0.02 0.15 -0.04 2.98 3.36 2ezvA1 TYR 68 HD2 0.07 0.09 -0.10 -0.04 7.15 7.16 2ezvA1 TYR 68 HE2 -0.12 -0.01 -0.03 -0.04 6.85 6.65 2ezvA1 PRO 69 HA 0.08 0.17 0.72 -0.51 4.44 4.89 2ezvA1 PRO 69 HB2 0.11 -0.07 0.02 -0.04 2.28 2.30 2ezvA1 PRO 69 HB3 0.06 0.06 0.14 -0.04 2.02 2.24 2ezvA1 PRO 69 HG2 0.08 -0.01 0.02 -0.04 2.03 2.08 2ezvA1 PRO 69 HG3 0.09 0.10 0.00 -0.04 2.03 2.18 2ezvA1 PRO 69 HD2 0.19 0.03 0.14 -0.04 3.68 4.00 2ezvA1 PRO 69 HD3 0.16 0.03 -0.15 -0.04 3.65 3.65 2ezvA1 ILE 70 H -0.04 0.57 0.35 -0.55 8.25 8.58 2ezvA1 ILE 70 HA 0.00 0.11 0.82 -0.75 4.18 4.36 2ezvA1 ILE 70 HB -0.23 0.03 -0.21 -0.04 1.89 1.44 2ezvA1 ILE 70 HG12 -0.61 -0.01 -0.10 -0.04 1.49 0.74 2ezvA1 ILE 70 HG13 -0.57 0.03 -0.27 -0.04 1.21 0.36 2ezvA1 ILE 70 HG23 -0.18 -0.03 -0.27 -0.04 0.93 0.42 2ezvA1 ILE 70 HD13 -1.23 0.01 -0.19 -0.04 0.88 -0.56 2ezvA1 ASN 71 H 0.02 0.15 0.06 -0.55 8.53 8.21 2ezvA1 ASN 71 HA 0.01 0.11 0.52 -0.75 4.76 4.65 2ezvA1 ASN 71 HB2 0.05 0.02 0.09 -0.04 2.88 3.00 2ezvA1 ASN 71 HB3 0.03 -0.01 0.22 -0.04 2.79 2.99 2ezvA1 ASN 71 HD21 0.02 -0.02 0.02 -0.04 7.03 7.01 2ezvA1 ASN 71 HD22 0.03 -0.00 0.07 -0.04 7.74 7.79 2ezvA1 ARG 72 H -0.02 0.63 0.10 -0.55 8.46 8.62 2ezvA1 ARG 72 HA -0.01 0.01 0.50 -0.75 4.34 4.09 2ezvA1 ARG 72 HB2 -0.05 -0.04 -0.46 -0.04 1.90 1.32 2ezvA1 ARG 72 HB3 -0.04 -0.01 -0.10 -0.04 1.80 1.61 2ezvA1 ARG 72 HG2 -0.01 0.03 0.14 -0.04 1.67 1.79 2ezvA1 ARG 72 HG3 -0.02 0.00 -0.01 -0.04 1.67 1.60 2ezvA1 ARG 72 HD2 0.02 0.03 -0.16 -0.04 3.22 3.07 2ezvA1 ARG 72 HD3 0.01 -0.10 0.12 -0.04 3.22 3.21 2ezvA1 ARG 73 H 0.00 0.12 0.14 -0.55 8.46 8.17 2ezvA1 ARG 73 HA 0.01 0.23 1.01 -0.75 4.34 4.84 2ezvA1 ARG 73 HB2 -0.01 -0.04 0.03 -0.04 1.90 1.84 2ezvA1 ARG 73 HB3 -0.01 0.04 -0.01 -0.04 1.80 1.78 2ezvA1 ARG 73 HG2 -0.02 0.04 0.02 -0.04 1.67 1.66 2ezvA1 ARG 73 HG3 -0.01 0.08 -0.04 -0.04 1.67 1.66 2ezvA1 ARG 73 HD2 -0.01 -0.05 -0.01 -0.04 3.22 3.11 2ezvA1 ARG 73 HD3 -0.01 0.01 -0.02 -0.04 3.22 3.16 2ezvA1 PHE 74 H 0.10 0.28 0.11 -0.55 8.34 8.28 2ezvA1 PHE 74 HA -0.04 0.12 0.77 -0.75 4.62 4.72 2ezvA1 PHE 74 HB2 -0.06 0.01 -0.17 -0.04 3.15 2.89 2ezvA1 PHE 74 HB3 -0.07 0.01 0.01 -0.04 3.06 2.97 2ezvA1 PHE 74 HD2 -0.04 0.00 -0.16 -0.04 7.28 7.04 2ezvA1 PHE 74 HE2 -0.01 -0.03 -0.15 -0.04 7.38 7.15 2ezvA1 PHE 74 HZ 0.00 -0.01 -0.09 -0.04 7.32 7.18 2ezvA1 ALA 75 H -0.38 0.19 0.12 -0.55 8.40 7.78 2ezvA1 ALA 75 HA -0.18 0.22 0.94 -0.75 4.34 4.57 2ezvA1 ALA 75 HB3 -0.16 -0.00 0.03 -0.04 1.41 1.23 2ezvA1 GLY 76 H -0.20 0.29 0.19 -0.55 8.43 8.16 2ezvA1 GLY 76 HA2 -0.21 0.02 0.28 -0.51 4.01 3.58 2ezvA1 GLY 76 HA3 -0.23 0.16 0.56 -0.51 4.01 3.99 2ezvA1 PHE 77 H 0.18 0.17 0.05 -0.55 8.34 8.18 2ezvA1 PHE 77 HA 0.00 0.14 0.54 -0.75 4.62 4.55 2ezvA1 PHE 77 HB2 0.02 0.01 0.16 -0.04 3.15 3.29 2ezvA1 PHE 77 HB3 0.03 -0.03 0.17 -0.04 3.06 3.19 2ezvA1 PHE 77 HD2 -0.00 0.01 0.02 -0.04 7.28 7.26 2ezvA1 PHE 77 HE2 -0.01 0.01 -0.01 -0.04 7.38 7.33 2ezvA1 PHE 77 HZ -0.01 0.01 -0.01 -0.04 7.32 7.27 2ezvA1 ILE 78 H 0.04 0.62 -0.20 -0.55 8.25 8.16 2ezvA1 ILE 78 HA 0.10 0.04 0.61 -0.75 4.18 4.17 2ezvA1 ILE 78 HB 0.19 0.01 -0.19 -0.04 1.89 1.86 2ezvA1 ILE 78 HG12 0.14 0.18 -0.14 -0.04 1.49 1.63 2ezvA1 ILE 78 HG13 0.23 -0.14 -0.61 -0.04 1.21 0.64 2ezvA1 ILE 78 HG23 0.03 -0.01 -0.22 -0.04 0.93 0.69 2ezvA1 ILE 78 HD13 0.13 0.03 -0.13 -0.04 0.88 0.87 2ezvA1 ASP 79 H 0.06 0.06 0.14 -0.55 8.40 8.11 2ezvA1 ASP 79 HA 0.03 0.02 0.41 -0.75 4.63 4.34 2ezvA1 ASP 79 HB2 0.06 0.11 0.32 -0.04 2.71 3.16 2ezvA1 ASP 79 HB3 0.05 0.03 0.11 -0.04 2.70 2.85 2ezvA1 TYR 80 H 0.12 0.48 0.08 -0.55 8.29 8.42 2ezvA1 TYR 80 HA -0.01 0.16 0.99 -0.75 4.56 4.94 2ezvA1 TYR 80 HB2 -0.03 -0.04 -0.14 -0.04 3.06 2.82 2ezvA1 TYR 80 HB3 -0.03 0.00 0.11 -0.04 2.98 3.02 2ezvA1 TYR 80 HD2 -0.03 -0.04 -0.15 -0.04 7.15 6.89 2ezvA1 TYR 80 HE2 -0.02 0.01 -0.10 -0.04 6.85 6.69 2ezvA1 LYS 81 H -0.38 0.24 0.18 -0.55 8.42 7.91 2ezvA1 LYS 81 HA -0.13 0.43 0.91 -0.75 4.32 4.77 2ezvA1 LYS 81 HB2 0.07 -0.06 -0.08 -0.04 1.87 1.76 2ezvA1 LYS 81 HB3 -0.01 0.04 0.03 -0.04 1.79 1.81 2ezvA1 LYS 81 HG2 0.33 -0.06 -0.21 -0.04 1.46 1.49 2ezvA1 LYS 81 HG3 0.07 -0.02 -0.65 -0.04 1.46 0.82 2ezvA1 LYS 81 HD2 -0.09 -0.11 0.15 -0.04 1.69 1.60 2ezvA1 LYS 81 HD3 0.03 0.11 0.11 -0.04 1.68 1.89 2ezvA1 LYS 81 HE2 0.01 0.39 -0.08 -0.04 2.99 3.27 2ezvA1 LYS 81 HE3 -0.04 -0.08 0.09 -0.04 2.99 2.91 2ezvA1 ARG 82 H -0.14 0.51 0.27 -0.55 8.46 8.54 2ezvA1 ARG 82 HA -0.12 0.10 0.85 -0.75 4.34 4.41 2ezvA1 ARG 82 HB2 -0.08 -0.04 0.03 -0.04 1.90 1.77 2ezvA1 ARG 82 HB3 -0.06 0.09 0.01 -0.04 1.80 1.79 2ezvA1 ARG 82 HG2 -0.56 -0.08 -0.39 -0.04 1.67 0.60 2ezvA1 ARG 82 HG3 -0.11 -0.00 -0.06 -0.04 1.67 1.46 2ezvA1 ARG 82 HD2 -0.08 -0.01 0.13 -0.04 3.22 3.22 2ezvA1 ARG 82 HD3 -0.16 0.16 0.33 -0.04 3.22 3.51 2ezvA1 VAL 83 H -0.07 0.21 0.30 -0.55 8.24 8.13 2ezvA1 VAL 83 HA -0.13 0.22 0.95 -0.75 4.13 4.42 2ezvA1 VAL 83 HB -0.09 0.13 0.23 -0.04 2.12 2.34 2ezvA1 VAL 83 HG13 -0.17 -0.02 -0.07 -0.04 0.97 0.66 2ezvA1 VAL 83 HG23 -0.04 -0.06 -0.11 -0.04 0.95 0.70 2ezvA1 ARG 84 H -0.18 0.72 0.45 -0.55 8.46 8.90 2ezvA1 ARG 84 HA -0.15 -0.01 0.70 -0.75 4.34 4.12 2ezvA1 ARG 84 HB2 0.06 0.25 -0.05 -0.04 1.90 2.12 2ezvA1 ARG 84 HB3 -0.00 -0.01 -0.35 -0.04 1.80 1.39 2ezvA1 ARG 84 HG2 -0.05 0.02 -0.16 -0.04 1.67 1.44 2ezvA1 ARG 84 HG3 0.01 0.01 -0.54 -0.04 1.67 1.11 2ezvA1 ARG 84 HD2 0.06 -0.02 -0.10 -0.04 3.22 3.12 2ezvA1 ARG 84 HD3 0.02 -0.05 -0.16 -0.04 3.22 2.99 2ezvA1 TRP 85 H 0.13 0.71 0.20 -0.55 7.97 8.47 2ezvA1 TRP 85 HA -0.09 0.15 0.73 -0.75 4.62 4.66 2ezvA1 TRP 85 HB2 -0.30 -0.01 0.03 -0.04 3.23 2.91 2ezvA1 TRP 85 HB3 -0.14 -0.06 -0.19 -0.04 3.23 2.80 2ezvA1 TRP 85 HD1 -1.28 0.14 -0.14 -0.04 7.22 5.90 2ezvA1 TRP 85 HE1 -0.38 -0.03 -0.07 -0.04 10.20 9.68 2ezvA1 TRP 85 HE3 -0.08 0.02 -0.54 -0.04 7.59 6.94 2ezvA1 TRP 85 HZ2 -0.09 -0.05 -0.05 -0.04 7.44 7.21 2ezvA1 TRP 85 HZ3 -0.03 0.12 0.04 -0.04 7.13 7.23 2ezvA1 TRP 85 HH2 -0.04 -0.06 -0.03 -0.04 7.19 7.02 2ezvA1 LEU 86 H 0.22 0.67 0.12 -0.55 8.37 8.83 2ezvA1 LEU 86 HA 0.12 0.20 0.88 -0.75 4.35 4.79 2ezvA1 LEU 86 HB2 0.06 -0.01 -0.12 -0.04 1.64 1.53 2ezvA1 LEU 86 HB3 0.08 -0.02 0.12 -0.04 1.64 1.78 2ezvA1 LEU 86 HG 0.05 0.07 -0.29 -0.04 1.64 1.42 2ezvA1 LEU 86 HD13 0.04 0.00 -0.05 -0.04 0.93 0.88 2ezvA1 LEU 86 HD23 0.03 -0.02 -0.09 -0.04 0.89 0.77 2ezvA1 PRO 87 HA 0.06 -0.03 0.49 -0.51 4.44 4.45 2ezvA1 PRO 87 HB2 0.02 0.02 -0.02 -0.04 2.28 2.25 2ezvA1 PRO 87 HB3 0.05 -0.01 0.06 -0.04 2.02 2.08 2ezvA1 PRO 87 HG2 0.03 0.04 0.10 -0.04 2.03 2.16 2ezvA1 PRO 87 HG3 0.06 0.02 0.06 -0.04 2.03 2.13 2ezvA1 PRO 87 HD2 0.10 0.15 0.22 -0.04 3.68 4.11 2ezvA1 PRO 87 HD3 0.16 0.11 -0.02 -0.04 3.65 3.85 2ezvA1 SER 88 H 0.02 0.25 0.19 -0.55 8.46 8.37 2ezvA1 SER 88 HA -0.04 0.14 0.61 -0.75 4.49 4.45 2ezvA1 SER 88 HB2 0.03 0.12 -0.08 -0.04 3.95 3.98 2ezvA1 SER 88 HB3 0.07 0.27 0.05 -0.04 3.93 4.27 2ezvA1 PRO 89 HA -0.08 0.11 0.50 -0.51 4.44 4.47 2ezvA1 PRO 89 HB2 -0.19 0.04 0.03 -0.04 2.28 2.12 2ezvA1 PRO 89 HB3 -0.12 0.03 0.10 -0.04 2.02 1.99 2ezvA1 PRO 89 HG2 -0.77 0.00 0.05 -0.04 2.03 1.27 2ezvA1 PRO 89 HG3 -0.24 0.06 0.06 -0.04 2.03 1.86 2ezvA1 PRO 89 HD2 -0.18 0.14 0.23 -0.04 3.68 3.83 2ezvA1 PRO 89 HD3 -0.12 0.16 0.13 -0.04 3.65 3.77 2ezvA1 HIS 90 H -0.24 0.11 -0.28 -0.55 8.41 7.46 2ezvA1 HIS 90 HA 0.09 0.13 0.54 -0.75 4.63 4.64 2ezvA1 HIS 90 HB2 0.08 0.07 -0.09 -0.04 3.26 3.29 2ezvA1 HIS 90 HB3 0.13 -0.03 0.06 -0.04 3.20 3.31 2ezvA1 HIS 90 HD2 0.04 0.08 -0.04 -0.04 6.97 7.00 2ezvA1 HIS 90 HE1 0.03 -0.00 -0.03 -0.04 7.75 7.71 2ezvA1 GLY 91 H 0.05 0.34 -0.54 -0.55 8.43 7.74 2ezvA1 GLY 91 HA2 0.04 -0.00 0.25 -0.51 4.01 3.79 2ezvA1 GLY 91 HA3 0.11 0.32 0.84 -0.51 4.01 4.77 2ezvA1 LEU 92 H 0.03 0.15 0.09 -0.55 8.37 8.09 2ezvA1 LEU 92 HA 0.09 0.06 0.56 -0.75 4.35 4.31 2ezvA1 LEU 92 HB2 -0.09 -0.03 0.08 -0.04 1.64 1.56 2ezvA1 LEU 92 HB3 -0.17 -0.00 0.17 -0.04 1.64 1.59 2ezvA1 LEU 92 HG 0.12 0.01 -0.29 -0.04 1.64 1.44 2ezvA1 LEU 92 HD13 0.08 0.01 -0.22 -0.04 0.93 0.76 2ezvA1 LEU 92 HD23 -0.92 -0.00 -0.05 -0.04 0.89 -0.13 2ezvA1 LEU 93 H 0.18 0.53 0.15 -0.55 8.37 8.68 2ezvA1 LEU 93 HA 0.25 0.25 0.74 -0.75 4.35 4.84 2ezvA1 LEU 93 HB2 0.11 -0.02 0.05 -0.04 1.64 1.75 2ezvA1 LEU 93 HB3 0.11 0.01 -0.07 -0.04 1.64 1.66 2ezvA1 LEU 93 HG 0.14 0.27 -0.17 -0.04 1.64 1.84 2ezvA1 LEU 93 HD13 0.14 -0.04 -0.12 -0.04 0.93 0.86 2ezvA1 LEU 93 HD23 0.17 0.00 -0.46 -0.04 0.89 0.57 2ezvA1 PRO 94 HA -0.51 0.17 0.63 -0.51 4.44 4.23 2ezvA1 PRO 94 HB2 -0.39 -0.03 -0.01 -0.04 2.28 1.81 2ezvA1 PRO 94 HB3 -0.95 -0.02 0.06 -0.04 2.02 1.07 2ezvA1 PRO 94 HG2 -0.04 0.02 0.36 -0.04 2.03 2.34 2ezvA1 PRO 94 HG3 -0.05 -0.00 0.06 -0.04 2.03 2.00 2ezvA1 PRO 94 HD2 0.15 0.09 0.35 -0.04 3.68 4.23 2ezvA1 PRO 94 HD3 0.34 0.18 0.32 -0.04 3.65 4.44 2ezvA1 GLN 95 H -0.22 0.98 0.50 -0.55 8.47 9.18 2ezvA1 GLN 95 HA -0.11 0.16 0.90 -0.75 4.36 4.56 2ezvA1 GLN 95 HB2 -0.04 -0.01 -0.28 -0.04 2.15 1.78 2ezvA1 GLN 95 HB3 -0.04 0.01 -0.12 -0.04 2.02 1.83 2ezvA1 GLN 95 HG2 -0.06 -0.07 -0.57 -0.04 2.40 1.66 2ezvA1 GLN 95 HG3 -0.06 0.06 -0.20 -0.04 2.39 2.15 2ezvA1 GLN 95 HE21 0.02 0.01 -0.15 -0.04 6.97 6.81 2ezvA1 GLN 95 HE22 -0.01 -0.02 -0.22 -0.04 7.69 7.41 2ezvA1 VAL 96 H -0.12 1.04 0.20 -0.55 8.24 8.81 2ezvA1 VAL 96 HA -0.16 0.20 0.99 -0.75 4.13 4.41 2ezvA1 VAL 96 HB -0.22 -0.04 0.06 -0.04 2.12 1.88 2ezvA1 VAL 96 HG13 -0.52 -0.01 -0.23 -0.04 0.97 0.17 2ezvA1 VAL 96 HG23 -0.16 -0.02 -0.19 -0.04 0.95 0.54 2ezvA1 LEU 97 H -0.09 0.57 0.19 -0.55 8.37 8.49 2ezvA1 LEU 97 HA -0.04 0.11 0.68 -0.75 4.35 4.35 2ezvA1 LEU 97 HB2 0.01 0.01 0.02 -0.04 1.64 1.63 2ezvA1 LEU 97 HB3 0.02 -0.03 0.16 -0.04 1.64 1.75 2ezvA1 LEU 97 HG 0.14 -0.04 -0.30 -0.04 1.64 1.40 2ezvA1 LEU 97 HD13 0.03 0.03 -0.09 -0.04 0.93 0.86 2ezvA1 LEU 97 HD23 0.14 -0.00 -0.11 -0.04 0.89 0.87 2ezvA1 LEU 98 H -0.05 0.68 0.33 -0.55 8.37 8.78 2ezvA1 LEU 98 HA -0.05 0.27 0.99 -0.75 4.35 4.81 2ezvA1 LEU 98 HB2 -0.09 -0.01 0.11 -0.04 1.64 1.60 2ezvA1 LEU 98 HB3 -0.07 -0.04 -0.03 -0.04 1.64 1.45 2ezvA1 LEU 98 HG -0.16 -0.03 -0.12 -0.04 1.64 1.28 2ezvA1 LEU 98 HD13 -0.49 0.01 -0.18 -0.04 0.93 0.24 2ezvA1 LEU 98 HD23 -0.25 -0.06 -0.30 -0.04 0.89 0.23 2ezvA1 VAL 99 H 0.07 0.69 0.26 -0.55 8.24 8.71 2ezvA1 VAL 99 HA -0.18 0.47 1.25 -0.75 4.13 4.91 2ezvA1 VAL 99 HB -0.04 0.00 -0.08 -0.04 2.12 1.96 2ezvA1 VAL 99 HG13 0.08 0.03 -0.26 -0.04 0.97 0.77 2ezvA1 VAL 99 HG23 0.01 -0.02 -0.18 -0.04 0.95 0.72 2ezvA1 ASP 100 H -0.44 0.59 0.44 -0.55 8.40 8.44 2ezvA1 ASP 100 HA -0.01 0.00 1.08 -0.75 4.63 4.95 2ezvA1 ASP 100 HB2 -0.28 0.04 0.04 -0.04 2.71 2.47 2ezvA1 ASP 100 HB3 -0.15 0.02 0.09 -0.04 2.70 2.62 2ezvA1 ALA 101 H 0.07 0.08 0.23 -0.55 8.40 8.24 2ezvA1 ALA 101 HA 0.21 0.32 0.98 -0.75 4.34 5.10 2ezvA1 ALA 101 HB3 0.08 -0.01 -0.07 -0.04 1.41 1.38 2ezvA1 LYS 102 H 0.29 0.60 0.41 -0.55 8.42 9.17 2ezvA1 LYS 102 HA 0.12 0.10 0.90 -0.75 4.32 4.69 2ezvA1 LYS 102 HB2 0.13 -0.04 0.07 -0.04 1.87 2.00 2ezvA1 LYS 102 HB3 0.10 0.01 0.04 -0.04 1.79 1.91 2ezvA1 LYS 102 HG2 0.30 -0.03 -0.58 -0.04 1.46 1.11 2ezvA1 LYS 102 HG3 0.31 -0.03 -0.12 -0.04 1.46 1.59 2ezvA1 LYS 102 HD2 0.16 -0.08 0.06 -0.04 1.69 1.78 2ezvA1 LYS 102 HD3 0.17 0.13 0.04 -0.04 1.68 1.98 2ezvA1 LYS 102 HE2 0.42 -0.06 -0.12 -0.04 2.99 3.19 2ezvA1 LYS 102 HE3 0.27 0.06 0.01 -0.04 2.99 3.29 2ezvA1 ALA 103 H 0.09 0.17 0.21 -0.55 8.40 8.32 2ezvA1 ALA 103 HA 0.24 0.22 0.98 -0.75 4.34 5.02 2ezvA1 ALA 103 HB3 0.10 0.01 -0.03 -0.04 1.41 1.45 2ezvA1 SER 104 H 0.37 0.75 0.35 -0.55 8.46 9.38 2ezvA1 SER 104 HA 0.19 0.01 0.62 -0.75 4.49 4.55 2ezvA1 SER 104 HB2 -0.00 0.08 -0.22 -0.04 3.95 3.77 2ezvA1 SER 104 HB3 -0.07 0.17 -0.07 -0.04 3.93 3.91 2ezvA1 THR 105 H 0.04 0.11 0.21 -0.55 8.28 8.10 2ezvA1 THR 105 HA -0.26 0.54 0.86 -0.75 4.39 4.77 2ezvA1 THR 105 HB -0.07 0.01 0.23 -0.04 4.32 4.45 2ezvA1 THR 105 HG23 -0.28 -0.01 0.08 -0.04 1.22 0.98 2ezvA1 GLU 106 H 0.13 -0.01 -0.15 -0.55 8.60 8.02 2ezvA1 GLU 106 HA -0.00 0.14 0.85 -0.75 4.29 4.53 2ezvA1 GLU 106 HB2 -0.04 0.10 0.01 -0.04 2.09 2.12 2ezvA1 GLU 106 HB3 -0.16 -0.09 -0.00 -0.04 1.99 1.70 2ezvA1 GLU 106 HG2 -0.02 0.05 -0.08 -0.04 2.34 2.25 2ezvA1 GLU 106 HG3 0.01 -0.12 -0.06 -0.04 2.34 2.13 2ezvA1 LYS 107 H -0.35 0.06 0.15 -0.55 8.42 7.73 2ezvA1 LYS 107 HA -0.75 0.20 0.64 -0.75 4.32 3.65 2ezvA1 LYS 107 HB2 -0.97 0.02 0.04 -0.04 1.87 0.92 2ezvA1 LYS 107 HB3 -0.38 -0.04 -0.01 -0.04 1.79 1.32 2ezvA1 LYS 107 HG2 -0.17 0.02 0.08 -0.04 1.46 1.35 2ezvA1 LYS 107 HG3 -0.66 0.02 -0.01 -0.04 1.46 0.77 2ezvA1 LYS 107 HD2 -0.06 -0.04 -0.07 -0.04 1.69 1.48 2ezvA1 LYS 107 HD3 0.08 0.02 -0.04 -0.04 1.68 1.69 2ezvA1 LYS 107 HE2 0.03 0.00 -0.03 -0.04 2.99 2.95 2ezvA1 LYS 107 HE3 0.05 0.03 -0.03 -0.04 2.99 3.00 2ezvA1 ASN 108 H -0.47 -0.06 -0.05 -0.55 8.53 7.40 2ezvA1 ASN 108 HA -0.84 0.17 0.76 -0.75 4.76 4.10 2ezvA1 ASN 108 HB2 -0.35 -0.18 0.21 -0.04 2.88 2.50 2ezvA1 ASN 108 HB3 -0.28 0.05 0.03 -0.04 2.79 2.55 2ezvA1 ASN 108 HD21 -0.10 0.05 -0.05 -0.04 7.03 6.89 2ezvA1 ASN 108 HD22 -0.06 -0.07 0.04 -0.04 7.74 7.60 2ezvA1 ARG 109 H -0.87 -0.11 0.19 -0.55 8.46 7.11 2ezvA1 ARG 109 HA -0.92 0.11 0.59 -0.75 4.34 3.37 2ezvA1 ARG 109 HB2 -0.88 0.05 -0.00 -0.04 1.90 1.03 2ezvA1 ARG 109 HB3 -1.52 -0.09 0.06 -0.04 1.80 0.21 2ezvA1 ARG 109 HG2 -0.51 -0.18 -0.42 -0.04 1.67 0.52 2ezvA1 ARG 109 HG3 -0.42 0.08 -0.37 -0.04 1.67 0.92 2ezvA1 ARG 109 HD2 -0.43 0.06 -0.15 -0.04 3.22 2.66 2ezvA1 ARG 109 HD3 -0.27 -0.03 -0.10 -0.04 3.22 2.78 2ezvA1 ASP 110 H -0.37 0.39 0.33 -0.55 8.40 8.20 2ezvA1 ASP 110 HA -0.02 0.15 0.75 -0.75 4.63 4.76 2ezvA1 ASP 110 HB2 0.10 -0.03 -0.17 -0.04 2.71 2.56 2ezvA1 ASP 110 HB3 -0.10 0.01 -0.16 -0.04 2.70 2.40 2ezvA1 THR 111 H 0.03 0.19 0.15 -0.55 8.28 8.10 2ezvA1 THR 111 HA -0.03 0.26 1.03 -0.75 4.39 4.89 2ezvA1 THR 111 HB 0.04 0.01 0.07 -0.04 4.32 4.40 2ezvA1 THR 111 HG23 0.04 -0.01 -0.06 -0.04 1.22 1.15 2ezvA1 LEU 112 H 0.02 0.70 0.35 -0.55 8.37 8.90 2ezvA1 LEU 112 HA 0.11 0.17 0.90 -0.75 4.35 4.77 2ezvA1 LEU 112 HB2 0.03 -0.04 -0.12 -0.04 1.64 1.47 2ezvA1 LEU 112 HB3 0.09 0.11 -0.20 -0.04 1.64 1.60 2ezvA1 LEU 112 HG -0.14 0.06 -0.16 -0.04 1.64 1.36 2ezvA1 LEU 112 HD13 -0.26 -0.03 -0.68 -0.04 0.93 -0.09 2ezvA1 LEU 112 HD23 -0.11 0.03 -0.25 -0.04 0.89 0.52 2ezvA1 GLN 113 H 0.10 0.18 0.13 -0.55 8.47 8.33 2ezvA1 GLN 113 HA -0.01 0.10 0.63 -0.75 4.36 4.33 2ezvA1 GLN 113 HB2 0.03 -0.00 0.04 -0.04 2.15 2.17 2ezvA1 GLN 113 HB3 -0.06 -0.00 0.14 -0.04 2.02 2.06 2ezvA1 GLN 113 HG2 0.06 0.02 0.04 -0.04 2.40 2.48 2ezvA1 GLN 113 HG3 -0.02 0.08 0.03 -0.04 2.39 2.44 2ezvA1 GLN 113 HE21 -0.04 -0.02 -0.01 -0.04 6.97 6.86 2ezvA1 GLN 113 HE22 -0.10 0.01 0.04 -0.04 7.69 7.60 2ezvA1 ARG 114 H -0.04 0.23 0.18 -0.55 8.46 8.28 2ezvA1 ARG 114 HA -0.00 0.11 0.34 -0.75 4.34 4.03 2ezvA1 ARG 114 HB2 -0.05 0.08 0.13 -0.04 1.90 2.02 2ezvA1 ARG 114 HB3 -0.04 -0.02 0.06 -0.04 1.80 1.76 2ezvA1 ARG 114 HG2 -0.01 -0.01 -0.16 -0.04 1.67 1.45 2ezvA1 ARG 114 HG3 -0.03 0.07 0.01 -0.04 1.67 1.68 2ezvA1 ARG 114 HD2 -0.03 -0.00 -0.01 -0.04 3.22 3.14 2ezvA1 ARG 114 HD3 -0.04 -0.02 0.00 -0.04 3.22 3.12 2ezvA1 SER 115 H -0.01 0.01 -0.32 -0.55 8.46 7.59 2ezvA1 SER 115 HA 0.05 0.16 0.33 -0.75 4.49 4.27 2ezvA1 SER 115 HB2 0.10 0.06 0.07 -0.04 3.95 4.13 2ezvA1 SER 115 HB3 -0.00 -0.01 0.06 -0.04 3.93 3.94 2ezvA1 GLN 116 H 0.10 0.43 -0.57 -0.55 8.47 7.88 2ezvA1 GLN 116 HA 0.15 0.23 0.74 -0.75 4.36 4.72 2ezvA1 GLN 116 HB2 0.28 -0.04 0.01 -0.04 2.15 2.36 2ezvA1 GLN 116 HB3 0.36 0.03 0.09 -0.04 2.02 2.46 2ezvA1 GLN 116 HG2 0.15 0.19 -0.06 -0.04 2.40 2.64 2ezvA1 GLN 116 HG3 0.13 -0.18 -0.17 -0.04 2.39 2.14 2ezvA1 GLN 116 HE21 0.16 0.01 0.03 -0.04 6.97 7.12 2ezvA1 GLN 116 HE22 0.16 0.16 0.01 -0.04 7.69 7.98 2ezvA1 LEU 117 H 0.09 0.29 -0.28 -0.55 8.37 7.93 2ezvA1 LEU 117 HA 0.16 0.14 0.52 -0.75 4.35 4.42 2ezvA1 LEU 117 HB2 0.04 0.01 0.09 -0.04 1.64 1.74 2ezvA1 LEU 117 HB3 0.02 -0.14 0.12 -0.04 1.64 1.60 2ezvA1 LEU 117 HG -0.01 -0.08 -0.13 -0.04 1.64 1.38 2ezvA1 LEU 117 HD13 -0.12 -0.01 -0.23 -0.04 0.93 0.53 2ezvA1 LEU 117 HD23 0.08 -0.05 -0.05 -0.04 0.89 0.84 2ezvA1 PRO 118 HA 0.02 0.11 0.47 -0.51 4.44 4.53 2ezvA1 PRO 118 HB2 0.10 0.19 -0.12 -0.04 2.28 2.41 2ezvA1 PRO 118 HB3 0.04 -0.01 -0.05 -0.04 2.02 1.96 2ezvA1 PRO 118 HG2 0.20 0.02 -0.03 -0.04 2.03 2.17 2ezvA1 PRO 118 HG3 0.18 0.07 -0.06 -0.04 2.03 2.19 2ezvA1 PRO 118 HD2 0.23 0.04 0.14 -0.04 3.68 4.06 2ezvA1 PRO 118 HD3 0.23 0.31 0.37 -0.04 3.65 4.52 2ezvA1 MET 119 H 0.13 0.18 -0.08 -0.55 8.47 8.15 2ezvA1 MET 119 HA 0.01 0.16 0.83 -0.75 4.52 4.76 2ezvA1 MET 119 HB2 0.07 0.01 0.04 -0.04 2.15 2.23 2ezvA1 MET 119 HB3 0.08 0.04 -0.29 -0.04 2.03 1.81 2ezvA1 MET 119 HG2 0.29 -0.01 -0.16 -0.04 2.63 2.70 2ezvA1 MET 119 HG3 0.24 0.01 -0.35 -0.04 2.56 2.42 2ezvA1 MET 119 HE3 0.16 0.04 -0.38 -0.04 2.10 1.87 2ezvA1 ASP 120 H 0.00 0.12 0.13 -0.55 8.40 8.11 2ezvA1 ASP 120 HA -0.06 0.09 0.60 -0.75 4.63 4.51 2ezvA1 ASP 120 HB2 -0.01 0.02 0.17 -0.04 2.71 2.84 2ezvA1 ASP 120 HB3 -0.03 0.07 0.02 -0.04 2.70 2.71 2ezvA1 ALA 121 H -0.18 0.56 0.35 -0.55 8.40 8.58 2ezvA1 ALA 121 HA -0.27 0.19 0.75 -0.75 4.34 4.26 2ezvA1 ALA 121 HB3 -0.91 -0.02 -0.01 -0.04 1.41 0.43 2ezvA1 GLU 122 H 0.01 0.26 0.06 -0.55 8.60 8.38 2ezvA1 GLU 122 HA -0.08 0.32 0.69 -0.75 4.29 4.48 2ezvA1 GLU 122 HB2 -0.05 -0.02 -0.01 -0.04 2.09 1.97 2ezvA1 GLU 122 HB3 -0.04 0.06 -0.22 -0.04 1.99 1.75 2ezvA1 GLU 122 HG2 0.02 0.07 -0.16 -0.04 2.34 2.23 2ezvA1 GLU 122 HG3 0.02 -0.10 -0.44 -0.04 2.34 1.78 2ezvA1 PHE 123 H -0.35 0.49 0.27 -0.55 8.34 8.20 2ezvA1 PHE 123 HA 0.01 0.40 0.71 -0.75 4.62 4.98 2ezvA1 PHE 123 HB2 0.04 0.08 0.03 -0.04 3.15 3.25 2ezvA1 PHE 123 HB3 0.10 0.02 -0.27 -0.04 3.06 2.86 2ezvA1 PHE 123 HD2 0.00 0.06 -0.44 -0.04 7.28 6.86 2ezvA1 PHE 123 HE2 0.01 -0.04 -0.22 -0.04 7.38 7.08 2ezvA1 PHE 123 HZ 0.06 -0.06 -0.22 -0.04 7.32 7.06 2ezvA1 ARG 124 H 0.19 0.33 0.15 -0.55 8.46 8.57 2ezvA1 ARG 124 HA -0.08 0.22 0.92 -0.75 4.34 4.64 2ezvA1 ASN 125 H -0.08 0.68 0.18 -0.55 8.53 8.77 2ezvA1 ASN 125 HA 0.22 -0.02 0.45 -0.75 4.76 4.65 2ezvA1 ASN 125 HB2 -0.02 0.12 0.08 -0.04 2.88 3.01 2ezvA1 ASN 125 HB3 -0.00 -0.13 0.12 -0.04 2.79 2.73 2ezvA1 ASN 125 HD21 0.07 0.05 0.03 -0.04 7.03 7.14 2ezvA1 ASN 125 HD22 0.08 0.07 0.01 -0.04 7.74 7.86 2ezvA1 THR 126 H 0.07 0.11 0.24 -0.55 8.28 8.15 2ezvA1 THR 126 HA 0.01 0.19 0.40 -0.75 4.39 4.25 2ezvA1 THR 126 HB 0.00 -0.08 0.15 -0.04 4.32 4.35 2ezvA1 THR 126 HG23 -0.02 0.01 -0.08 -0.04 1.22 1.10 2ezvA1 SER 127 H 0.02 -0.06 -0.12 -0.55 8.46 7.76 2ezvA1 SER 127 HA 0.00 0.28 0.85 -0.75 4.49 4.86 2ezvA1 SER 127 HB2 0.00 0.06 0.05 -0.04 3.95 4.02 2ezvA1 SER 127 HB3 0.00 -0.01 0.03 -0.04 3.93 3.91 2ezvA1 SER 128 H 0.01 -0.08 -0.07 -0.55 8.46 7.77 2ezvA1 SER 128 HA -0.01 0.20 0.58 -0.75 4.49 4.51 2ezvA1 SER 128 HB2 -0.00 0.02 0.07 -0.04 3.95 3.99 2ezvA1 SER 128 HB3 -0.01 -0.05 0.08 -0.04 3.93 3.91 2ezvA1 GLY 129 H 0.00 0.32 -0.32 -0.55 8.43 7.88 2ezvA1 GLY 129 HA2 -0.01 0.09 0.24 -0.51 4.01 3.82 2ezvA1 GLY 129 HA3 -0.01 0.05 0.29 -0.51 4.01 3.83 2ezvA1 GLU 130 H -0.03 -0.14 -0.94 -0.55 8.60 6.94 2ezvA1 GLU 130 HA -0.04 0.17 0.63 -0.75 4.29 4.30 2ezvA1 VAL 131 H -0.08 0.15 0.15 -0.55 8.24 7.91 2ezvA1 VAL 131 HA -0.17 0.24 0.86 -0.75 4.13 4.30 2ezvA1 VAL 131 HB -0.08 -0.04 0.13 -0.04 2.12 2.09 2ezvA1 VAL 131 HG13 -0.12 0.00 -0.21 -0.04 0.97 0.61 2ezvA1 VAL 131 HG23 -0.06 0.00 -0.05 -0.04 0.95 0.80 2ezvA1 VAL 132 H -0.55 0.77 0.40 -0.55 8.24 8.31 2ezvA1 VAL 132 HA -0.25 0.16 0.88 -0.75 4.13 4.16 2ezvA1 VAL 132 HB -1.83 -0.05 -0.02 -0.04 2.12 0.18 2ezvA1 VAL 132 HG13 -0.12 0.01 -0.12 -0.04 0.97 0.71 2ezvA1 VAL 132 HG23 -0.26 -0.01 -0.11 -0.04 0.95 0.53 2ezvA1 THR 133 H -0.14 0.21 0.17 -0.55 8.28 7.97 2ezvA1 THR 133 HA -0.12 0.31 0.94 -0.75 4.39 4.76 2ezvA1 THR 133 HB -0.09 -0.05 -0.05 -0.04 4.32 4.10 2ezvA1 THR 133 HG23 -0.06 -0.02 -0.20 -0.04 1.22 0.90 2ezvA1 MET 134 H -0.09 0.66 0.17 -0.55 8.47 8.67 2ezvA1 MET 134 HA -0.06 0.08 0.65 -0.75 4.52 4.44 2ezvA1 MET 134 HB2 -0.03 0.03 -0.26 -0.04 2.15 1.85 2ezvA1 MET 134 HB3 -0.10 -0.08 -0.05 -0.04 2.03 1.76 2ezvA1 MET 134 HG2 -0.06 0.18 -0.29 -0.04 2.63 2.42 2ezvA1 MET 134 HG3 -0.05 0.00 0.02 -0.04 2.56 2.49 2ezvA1 MET 134 HE3 -0.03 0.01 -0.19 -0.04 2.10 1.85 2ezvA1 GLU 135 H -0.04 0.13 0.09 -0.55 8.60 8.23 2ezvA1 GLU 135 HA -0.04 0.00 0.56 -0.75 4.29 4.06 2ezvA1 ALA 136 H -0.03 -0.00 0.01 -0.55 8.40 7.84 2ezvA1 ALA 136 HA -0.01 0.05 0.15 -0.75 4.34 3.77 2ezvA1 ALA 136 HB3 -0.01 -0.02 -0.28 -0.04 1.41 1.06 2ezvA1 GLY 137 H 0.02 0.33 0.29 -0.55 8.43 8.52 2ezvA1 GLY 137 HA2 0.01 0.09 0.74 -0.51 4.01 4.33 2ezvA1 GLY 137 HA3 0.02 0.04 0.19 -0.51 4.01 3.76 2ezvA1 VAL 138 H 0.03 0.44 0.07 -0.55 8.24 8.24 2ezvA1 VAL 138 HA 0.07 0.07 0.58 -0.75 4.13 4.09 2ezvA1 VAL 138 HB 0.02 -0.01 -0.12 -0.04 2.12 1.96 2ezvA1 VAL 138 HG13 -0.02 0.05 -0.20 -0.04 0.97 0.75 2ezvA1 VAL 138 HG23 0.08 0.00 -0.44 -0.04 0.95 0.55 2ezvA1 ILE 139 H 0.05 0.09 0.07 -0.55 8.25 7.91 2ezvA1 ILE 139 HA -0.04 0.10 0.39 -0.75 4.18 3.87 2ezvA1 ILE 139 HB -0.08 0.02 0.08 -0.04 1.89 1.88 2ezvA1 ILE 139 HG12 0.06 -0.02 0.02 -0.04 1.49 1.51 2ezvA1 ILE 139 HG13 -0.03 -0.07 -0.31 -0.04 1.21 0.76 2ezvA1 ILE 139 HG23 0.04 0.01 0.02 -0.04 0.93 0.96 2ezvA1 ILE 139 HD13 0.10 0.06 -0.10 -0.04 0.88 0.90 2ezvA1 PRO 140 HA -0.13 0.09 0.54 -0.51 4.44 4.42 2ezvA1 PRO 140 HB2 0.33 -0.03 0.04 -0.04 2.28 2.58 2ezvA1 PRO 140 HB3 0.01 -0.01 0.15 -0.04 2.02 2.14 2ezvA1 PRO 140 HG2 -0.65 0.02 0.08 -0.04 2.03 1.44 2ezvA1 PRO 140 HG3 -0.08 0.03 0.08 -0.04 2.03 2.01 2ezvA1 PRO 140 HD2 -0.16 0.09 0.23 -0.04 3.68 3.80 2ezvA1 PRO 140 HD3 -0.08 0.17 0.19 -0.04 3.65 3.88 2ezvA1 HIS 141 H -0.30 0.24 -0.18 -0.55 8.41 7.63 2ezvA1 HIS 141 HA -0.03 0.24 0.45 -0.75 4.63 4.54 2ezvA1 HIS 141 HB2 0.11 -0.06 -0.29 -0.04 3.26 2.98 2ezvA1 HIS 141 HB3 0.13 0.09 -0.25 -0.04 3.20 3.12 2ezvA1 HIS 141 HD2 0.08 -0.03 -0.52 -0.04 6.97 6.46 2ezvA1 HIS 141 HE1 0.11 0.02 -0.06 -0.04 7.75 7.77 2ezvA1 LEU 142 H 0.08 0.63 0.18 -0.55 8.37 8.71 2ezvA1 LEU 142 HA 0.10 0.11 0.82 -0.75 4.35 4.63 2ezvA1 LEU 142 HB2 0.01 0.01 -0.05 -0.04 1.64 1.57 2ezvA1 LEU 142 HB3 -0.02 0.02 0.09 -0.04 1.64 1.69 2ezvA1 LEU 142 HG 0.04 0.10 -0.29 -0.04 1.64 1.44 2ezvA1 LEU 142 HD13 0.13 -0.02 0.02 -0.04 0.93 1.02 2ezvA1 LEU 142 HD23 0.07 0.00 -0.14 -0.04 0.89 0.78 2ezvA1 MET 143 H 0.12 0.15 0.08 -0.55 8.47 8.27 2ezvA1 MET 143 HA 0.04 0.06 0.44 -0.75 4.52 4.31 2ezvA1 MET 143 HB2 0.07 0.01 0.10 -0.04 2.15 2.28 2ezvA1 MET 143 HB3 0.04 0.01 -0.10 -0.04 2.03 1.94 2ezvA1 MET 143 HG2 0.20 0.01 -0.07 -0.04 2.63 2.73 2ezvA1 MET 143 HG3 0.09 0.01 -0.05 -0.04 2.56 2.57 2ezvA1 MET 143 HE3 -0.02 0.01 -0.09 -0.04 2.10 1.95 2ezvA1 LEU 144 H -0.02 0.53 0.31 -0.55 8.37 8.65 2ezvA1 LEU 144 HA -0.02 0.16 0.85 -0.75 4.35 4.59 2ezvA1 LEU 144 HB2 -0.08 -0.00 0.08 -0.04 1.64 1.59 2ezvA1 LEU 144 HB3 -0.08 0.01 -0.03 -0.04 1.64 1.50 2ezvA1 LEU 144 HG -0.11 0.12 -0.04 -0.04 1.64 1.57 2ezvA1 LEU 144 HD13 -0.32 -0.01 -0.10 -0.04 0.93 0.46 2ezvA1 LEU 144 HD23 -0.08 0.02 -0.19 -0.04 0.89 0.60 2ezvA1 GLN 145 H -0.00 0.19 0.10 -0.55 8.47 8.21 2ezvA1 GLN 145 HA 0.01 0.08 0.63 -0.75 4.36 4.33 2ezvA1 GLN 145 HB2 0.01 -0.04 0.03 -0.04 2.15 2.11 2ezvA1 GLN 145 HB3 0.01 -0.02 0.15 -0.04 2.02 2.12 2ezvA1 GLN 145 HG2 0.01 -0.06 -0.03 -0.04 2.40 2.28 2ezvA1 GLN 145 HG3 0.02 0.18 -0.22 -0.04 2.39 2.33 2ezvA1 GLN 145 HE21 0.02 0.06 0.12 -0.04 6.97 7.13 2ezvA1 GLN 145 HE22 0.02 0.40 0.01 -0.04 7.69 8.08 2ezvA1 SER 146 H 0.02 0.47 0.15 -0.55 8.46 8.55 2ezvA1 SER 146 HA 0.06 0.07 0.45 -0.75 4.49 4.31 2ezvA1 SER 146 HB2 0.06 -0.13 0.07 -0.04 3.95 3.91 2ezvA1 SER 146 HB3 0.05 0.09 0.01 -0.04 3.93 4.03 2ezvA1 ALA 147 H 0.06 0.11 0.16 -0.55 8.40 8.19 2ezvA1 ALA 147 HA 0.03 0.19 0.59 -0.75 4.34 4.40 2ezvA1 ALA 147 HB3 0.04 0.01 0.10 -0.04 1.41 1.52 2ezvA1 ASN 148 H 0.04 -0.03 -0.13 -0.55 8.53 7.86 2ezvA1 ASN 148 HA 0.02 0.29 0.97 -0.75 4.76 5.29 2ezvA1 ASN 148 HB2 0.02 0.02 0.14 -0.04 2.88 3.02 2ezvA1 ASN 148 HB3 0.02 0.01 -0.06 -0.04 2.79 2.73 2ezvA1 ASN 148 HD21 0.03 0.01 -0.04 -0.04 7.03 6.98 2ezvA1 ASN 148 HD22 0.02 0.02 -0.02 -0.04 7.74 7.72 2ezvA1 ASP 149 H 0.03 0.20 -0.28 -0.55 8.40 7.80 2ezvA1 ASP 149 HA 0.02 0.11 0.43 -0.75 4.63 4.43 2ezvA1 ASP 149 HB2 0.02 0.20 -0.06 -0.04 2.71 2.82 2ezvA1 ASP 149 HB3 0.03 -0.03 -0.15 -0.04 2.70 2.50 2ezvA1 GLY 150 H 0.02 0.09 0.08 -0.55 8.43 8.06 2ezvA1 GLY 150 HA2 0.01 0.16 0.61 -0.51 4.01 4.29 2ezvA1 GLY 150 HA3 0.01 -0.01 0.41 -0.51 4.01 3.91 2ezvA1 VAL 151 H 0.01 0.06 0.15 -0.55 8.24 7.91 2ezvA1 VAL 151 HA 0.01 0.31 0.71 -0.75 4.13 4.41 2ezvA1 VAL 151 HB 0.01 -0.05 -0.03 -0.04 2.12 2.01 2ezvA1 VAL 151 HG13 0.02 0.00 -0.09 -0.04 0.97 0.85 2ezvA1 VAL 151 HG23 0.00 -0.01 -0.02 -0.04 0.95 0.88 2ezvA1 LEU 152 H -0.01 0.59 0.32 -0.55 8.37 8.72 2ezvA1 LEU 152 HA -0.01 0.14 0.78 -0.75 4.35 4.51 2ezvA1 LEU 152 HB2 0.03 -0.01 -0.09 -0.04 1.64 1.53 2ezvA1 LEU 152 HB3 -0.02 -0.03 0.09 -0.04 1.64 1.64 2ezvA1 LEU 152 HG -0.05 0.08 -0.24 -0.04 1.64 1.39 2ezvA1 LEU 152 HD13 0.08 0.01 -0.04 -0.04 0.93 0.94 2ezvA1 LEU 152 HD23 0.12 -0.01 -0.05 -0.04 0.89 0.91 2ezvA1 PRO 153 HA -0.01 0.09 0.46 -0.51 4.44 4.47 2ezvA1 PRO 153 HB2 -0.12 0.03 -0.12 -0.04 2.28 2.03 2ezvA1 PRO 153 HB3 -0.44 0.01 -0.05 -0.04 2.02 1.49 2ezvA1 PRO 153 HG2 -0.01 -0.03 0.22 -0.04 2.03 2.17 2ezvA1 PRO 153 HG3 -0.21 -0.00 0.06 -0.04 2.03 1.84 2ezvA1 PRO 153 HD2 -0.03 0.11 0.20 -0.04 3.68 3.92 2ezvA1 PRO 153 HD3 -0.08 0.14 0.03 -0.04 3.65 3.70 2ezvA1 ALA 154 H 0.02 0.60 0.20 -0.55 8.40 8.67 2ezvA1 ALA 154 HA -0.08 0.29 0.69 -0.75 4.34 4.48 2ezvA1 ALA 154 HB3 -0.14 -0.02 -0.08 -0.04 1.41 1.13 2ezvA1 VAL 155 H -0.07 0.45 0.24 -0.55 8.24 8.30 2ezvA1 VAL 155 HA -0.38 0.04 0.45 -0.75 4.13 3.49 2ezvA1 VAL 155 HB -0.21 -0.00 -0.14 -0.04 2.12 1.73 2ezvA1 VAL 155 HG13 -1.11 0.01 0.07 -0.04 0.97 -0.11 2ezvA1 VAL 155 HG23 -0.08 0.06 0.12 -0.04 0.95 1.01 2ezvA1 THR 156 H -0.07 0.39 0.30 -0.55 8.28 8.35 2ezvA1 THR 156 HA -0.12 0.23 0.78 -0.75 4.39 4.53 2ezvA1 THR 156 HB -0.07 -0.06 -0.15 -0.04 4.32 4.00 2ezvA1 THR 156 HG23 -0.01 0.09 0.03 -0.04 1.22 1.28 2ezvA1 THR 157 H -0.07 0.61 0.27 -0.55 8.28 8.54 2ezvA1 THR 157 HA 0.04 0.11 0.87 -0.75 4.39 4.66 2ezvA1 THR 157 HB -0.01 -0.03 0.06 -0.04 4.32 4.30 2ezvA1 THR 157 HG23 0.05 0.00 -0.19 -0.04 1.22 1.04 2ezvA1 SER 158 H 0.05 0.20 0.10 -0.55 8.46 8.27 2ezvA1 SER 158 HA -0.04 0.30 0.89 -0.75 4.49 4.89 2ezvA1 SER 158 HB2 0.13 0.06 0.13 -0.04 3.95 4.23 2ezvA1 SER 158 HB3 0.21 0.01 -0.02 -0.04 3.93 4.09 2ezvA1 ILE 159 H -0.15 0.67 0.52 -0.55 8.25 8.74 2ezvA1 ILE 159 HA 0.10 0.37 1.12 -0.75 4.18 5.01 2ezvA1 ILE 159 HB -0.03 -0.07 0.02 -0.04 1.89 1.77 2ezvA1 ILE 159 HG12 0.03 -0.06 -0.60 -0.04 1.49 0.82 2ezvA1 ILE 159 HG13 0.04 -0.02 -0.21 -0.04 1.21 0.98 2ezvA1 ILE 159 HG23 0.05 0.00 -0.14 -0.04 0.93 0.80 2ezvA1 ILE 159 HD13 0.10 0.02 -0.09 -0.04 0.88 0.87 2ezvA1 PHE 160 H 0.21 0.64 0.41 -0.55 8.34 9.05 2ezvA1 PHE 160 HA 0.07 0.22 1.14 -0.75 4.62 5.30 2ezvA1 PHE 160 HB2 0.01 -0.07 0.07 -0.04 3.15 3.11 2ezvA1 PHE 160 HB3 0.09 0.02 -0.05 -0.04 3.06 3.08 2ezvA1 PHE 160 HD2 0.05 0.01 -0.20 -0.04 7.28 7.10 2ezvA1 PHE 160 HE2 0.06 -0.03 -0.08 -0.04 7.38 7.28 2ezvA1 PHE 160 HZ 0.07 0.25 -0.01 -0.04 7.32 7.59 2ezvA1 VAL 161 H 0.18 0.65 0.34 -0.55 8.24 8.86 2ezvA1 VAL 161 HA 0.10 0.28 1.05 -0.75 4.13 4.80 2ezvA1 VAL 161 HB 0.23 -0.08 0.12 -0.04 2.12 2.35 2ezvA1 VAL 161 HG13 -0.02 0.00 -0.12 -0.04 0.97 0.79 2ezvA1 VAL 161 HG23 0.04 0.01 -0.18 -0.04 0.95 0.78 2ezvA1 HIS 162 H 0.18 0.85 0.31 -0.55 8.41 9.21 2ezvA1 HIS 162 HA 0.30 0.15 0.99 -0.75 4.63 5.32 2ezvA1 HIS 162 HB2 0.19 -0.04 -0.14 -0.04 3.26 3.23 2ezvA1 HIS 162 HB3 0.19 -0.05 0.14 -0.04 3.20 3.43 2ezvA1 HIS 162 HD2 0.29 -0.13 -0.33 -0.04 6.97 6.77 2ezvA1 HIS 162 HE1 -0.02 -0.06 -0.01 -0.04 7.75 7.62 2ezvA1 PHE 163 H 0.34 0.83 0.43 -0.55 8.34 9.39 2ezvA1 PHE 163 HA 0.12 0.21 1.00 -0.75 4.62 5.20 2ezvA1 PHE 163 HB2 0.08 -0.05 0.36 -0.04 3.15 3.50 2ezvA1 PHE 163 HB3 -0.31 -0.02 0.05 -0.04 3.06 2.74 2ezvA1 PHE 163 HD2 -0.14 0.07 -0.03 -0.04 7.28 7.14 2ezvA1 PHE 163 HE2 0.09 0.01 -0.09 -0.04 7.38 7.36 2ezvA1 PHE 163 HZ 0.10 -0.01 -0.10 -0.04 7.32 7.26 2ezvA1 TYR 164 H 0.40 0.62 0.39 -0.55 8.29 9.15 2ezvA1 TYR 164 HA 0.24 0.32 0.75 -0.75 4.56 5.11 2ezvA1 TYR 164 HB2 0.44 0.06 0.06 -0.04 3.06 3.58 2ezvA1 TYR 164 HB3 0.35 -0.04 0.26 -0.04 2.98 3.50 2ezvA1 TYR 164 HD2 0.20 0.06 -0.21 -0.04 7.15 7.16 2ezvA1 TYR 164 HE2 0.07 0.19 -0.14 -0.04 6.85 6.94 2ezvA1 TYR 165 H 0.07 0.63 0.45 -0.55 8.29 8.89 2ezvA1 TYR 165 HA -0.21 0.08 1.08 -0.75 4.56 4.75 2ezvA1 TYR 165 HB2 0.16 0.13 -0.07 -0.04 3.06 3.24 2ezvA1 TYR 165 HB3 -0.08 -0.05 -0.25 -0.04 2.98 2.55 2ezvA1 TYR 165 HD2 0.20 0.16 -0.14 -0.04 7.15 7.32 2ezvA1 TYR 165 HE2 0.12 -0.07 -0.22 -0.04 6.85 6.64 2ezvA1 ARG 166 H 0.06 0.54 0.34 -0.55 8.46 8.85 2ezvA1 ARG 166 HA -0.33 0.09 0.94 -0.75 4.34 4.28 2ezvA1 ARG 166 HB2 -0.06 0.03 0.12 -0.04 1.90 1.95 2ezvA1 ARG 166 HB3 -0.16 0.02 -0.03 -0.04 1.80 1.59 2ezvA1 ARG 166 HG2 -0.07 -0.01 0.05 -0.04 1.67 1.60 2ezvA1 ARG 166 HG3 0.01 -0.02 -0.00 -0.04 1.67 1.62 2ezvA1 ARG 166 HD2 -0.01 0.09 -0.01 -0.04 3.22 3.25 2ezvA1 ARG 166 HD3 -0.02 -0.03 -0.01 -0.04 3.22 3.12 2ezvA1 GLU 167 H -0.02 0.07 0.17 -0.55 8.60 8.28 2ezvA1 GLU 167 HA 0.20 0.07 0.51 -0.75 4.29 4.32 2ezvA1 LEU 168 H 0.09 0.51 0.32 -0.55 8.37 8.74 2ezvA1 LEU 168 HA 0.03 0.05 0.59 -0.75 4.35 4.27 2ezvA1 LEU 168 HB2 0.06 0.03 -0.38 -0.04 1.64 1.30 2ezvA1 LEU 168 HB3 0.05 0.02 -0.35 -0.04 1.64 1.32 2ezvA1 LEU 168 HG 0.01 -0.00 -0.16 -0.04 1.64 1.44 2ezvA1 LEU 168 HD13 0.01 -0.00 -0.04 -0.04 0.93 0.86 2ezvA1 LEU 168 HD23 0.01 -0.01 -0.29 -0.04 0.89 0.56 2ezvA1 LYS 169 H 0.01 0.22 0.02 -0.55 8.42 8.11 2ezvA1 LYS 169 HA -0.01 0.29 0.43 -0.75 4.32 4.28 2ezvA1 LYS 169 HB2 0.02 -0.07 -0.02 -0.04 1.87 1.75 2ezvA1 LYS 169 HB3 0.01 0.01 0.11 -0.04 1.79 1.88 2ezvA1 LYS 169 HG2 0.05 -0.11 -0.61 -0.04 1.46 0.74 2ezvA1 LYS 169 HG3 0.04 -0.11 -0.04 -0.04 1.46 1.31 2ezvA1 LYS 169 HD2 0.05 -0.10 0.15 -0.04 1.69 1.75 2ezvA1 LYS 169 HD3 0.04 0.27 0.44 -0.04 1.68 2.39 2ezvA1 LYS 169 HE2 0.09 -0.17 0.09 -0.04 2.99 2.96 2ezvA1 LYS 169 HE3 0.19 -0.07 0.18 -0.04 2.99 3.26 2ezvA1 GLU 172 HA -0.05 -0.04 0.20 -0.75 4.29 3.65 2ezvA1 GLY 173 H -0.06 0.08 0.09 -0.55 8.43 7.99 2ezvA1 GLY 173 HA2 -0.16 0.13 0.52 -0.51 4.01 3.99 2ezvA1 GLY 173 HA3 -0.08 -0.04 0.35 -0.51 4.01 3.73 2ezvA1 ARG 174 H -0.10 -0.02 -0.49 -0.55 8.46 7.29 2ezvA1 ARG 174 HA -0.00 0.19 0.61 -0.75 4.34 4.39 2ezvA1 ARG 174 HB2 -0.03 -0.03 -0.10 -0.04 1.90 1.70 2ezvA1 ARG 174 HB3 0.02 0.11 0.06 -0.04 1.80 1.94 2ezvA1 ARG 174 HG2 -0.01 0.04 -0.09 -0.04 1.67 1.57 2ezvA1 ARG 174 HG3 -0.04 -0.16 -0.11 -0.04 1.67 1.33 2ezvA1 ARG 174 HD2 -0.03 -0.02 -0.05 -0.04 3.22 3.08 2ezvA1 ARG 174 HD3 -0.03 -0.02 -0.07 -0.04 3.22 3.06 2ezvA1 TYR 175 H 0.21 0.89 0.40 -0.55 8.29 9.25 2ezvA1 TYR 175 HA -0.01 0.18 0.95 -0.75 4.56 4.93 2ezvA1 TYR 175 HB2 -0.05 0.11 -0.01 -0.04 3.06 3.08 2ezvA1 TYR 175 HB3 -0.03 -0.15 0.12 -0.04 2.98 2.88 2ezvA1 TYR 175 HD2 -0.03 0.04 -0.02 -0.04 7.15 7.11 2ezvA1 TYR 175 HE2 -0.02 0.10 0.01 -0.04 6.85 6.89 2ezvA1 ARG 176 H 0.12 0.29 0.25 -0.55 8.46 8.57 2ezvA1 ARG 176 HA 0.12 0.06 0.47 -0.75 4.34 4.23 2ezvA1 ARG 176 HB2 0.31 0.01 0.05 -0.04 1.90 2.22 2ezvA1 ARG 176 HB3 0.13 0.08 -0.15 -0.04 1.80 1.82 2ezvA1 ARG 176 HG2 0.10 0.03 -0.13 -0.04 1.67 1.63 2ezvA1 ARG 176 HG3 0.31 -0.06 -0.35 -0.04 1.67 1.52 2ezvA1 ARG 176 HD2 -0.65 -0.01 -0.10 -0.04 3.22 2.42 2ezvA1 ARG 176 HD3 -0.17 -0.14 -0.12 -0.04 3.22 2.76 2ezvA1 GLU 177 H 0.19 0.55 0.19 -0.55 8.60 8.99 2ezvA1 GLU 177 HA 0.06 0.19 1.02 -0.75 4.29 4.81 2ezvA1 GLU 177 HB2 0.02 0.02 -0.14 -0.04 2.09 1.95 2ezvA1 GLU 177 HB3 0.03 0.01 0.08 -0.04 1.99 2.07 2ezvA1 GLU 177 HG2 -0.04 -0.04 -0.56 -0.04 2.34 1.66 2ezvA1 GLU 177 HG3 -0.05 0.06 -0.12 -0.04 2.34 2.19 2ezvA1 LEU 178 H -0.04 0.22 0.08 -0.55 8.37 8.08 2ezvA1 LEU 178 HA -0.09 0.08 0.64 -0.75 4.35 4.23 2ezvA1 LEU 178 HB2 -0.15 -0.01 0.06 -0.04 1.64 1.49 2ezvA1 LEU 178 HB3 -0.30 0.03 0.04 -0.04 1.64 1.38 2ezvA1 LEU 178 HG -1.34 -0.04 -0.12 -0.04 1.64 0.10 2ezvA1 LEU 178 HD13 0.18 0.01 -0.19 -0.04 0.93 0.88 2ezvA1 LEU 178 HD23 -0.10 -0.01 -0.19 -0.04 0.89 0.55 2ezvA1 LYS 179 H -0.09 0.53 0.45 -0.55 8.42 8.76 2ezvA1 LYS 179 HA -0.00 0.08 0.59 -0.75 4.32 4.23 2ezvA1 SER 180 H 0.19 0.46 0.30 -0.55 8.46 8.86 2ezvA1 SER 180 HA 0.04 0.14 0.58 -0.75 4.49 4.49 2ezvA1 SER 180 HB2 -0.07 0.05 -0.07 -0.04 3.95 3.81 2ezvA1 SER 180 HB3 0.35 0.02 0.01 -0.04 3.93 4.28 2ezvA1 ILE 181 H -0.17 0.76 0.34 -0.55 8.25 8.62 2ezvA1 ILE 181 HA -0.14 0.31 1.21 -0.75 4.18 4.81 2ezvA1 ILE 181 HB -0.22 -0.03 0.17 -0.04 1.89 1.77 2ezvA1 ILE 181 HG12 -0.60 0.01 -0.13 -0.04 1.49 0.72 2ezvA1 ILE 181 HG13 -0.13 -0.07 -0.25 -0.04 1.21 0.73 2ezvA1 ILE 181 HG23 -0.49 0.01 -0.17 -0.04 0.93 0.24 2ezvA1 ILE 181 HD13 -0.08 -0.00 -0.10 -0.04 0.88 0.66 2ezvA1 TYR 182 H 0.29 0.59 0.37 -0.55 8.29 8.99 2ezvA1 TYR 182 HA -0.10 0.23 0.99 -0.75 4.56 4.94 2ezvA1 TYR 182 HB2 -0.06 -0.05 0.14 -0.04 3.06 3.05 2ezvA1 TYR 182 HB3 -0.40 0.02 0.03 -0.04 2.98 2.60 2ezvA1 TYR 182 HD2 -0.06 0.04 -0.04 -0.04 7.15 7.05 2ezvA1 TYR 182 HE2 0.05 -0.06 -0.05 -0.04 6.85 6.75 2ezvA1 VAL 183 H -0.04 0.61 0.31 -0.55 8.24 8.56 2ezvA1 VAL 183 HA 0.04 0.28 1.12 -0.75 4.13 4.81 2ezvA1 VAL 183 HB 0.04 -0.04 0.07 -0.04 2.12 2.15 2ezvA1 VAL 183 HG13 0.06 0.01 -0.11 -0.04 0.97 0.88 2ezvA1 VAL 183 HG23 -0.00 0.01 -0.29 -0.04 0.95 0.63 2ezvA1 LEU 184 H 0.06 0.75 0.39 -0.55 8.37 9.02 2ezvA1 LEU 184 HA -0.11 0.46 1.26 -0.75 4.35 5.19 2ezvA1 LEU 184 HB2 0.04 -0.09 0.10 -0.04 1.64 1.65 2ezvA1 LEU 184 HB3 -0.16 0.03 -0.11 -0.04 1.64 1.36 2ezvA1 LEU 184 HG -0.47 0.06 -0.09 -0.04 1.64 1.09 2ezvA1 LEU 184 HD13 -0.45 -0.04 -0.32 -0.04 0.93 0.09 2ezvA1 LEU 184 HD23 -0.27 -0.02 -0.19 -0.04 0.89 0.36 2ezvA1 SER 185 H -0.09 0.66 0.28 -0.55 8.46 8.76 2ezvA1 SER 185 HA 0.09 0.26 1.00 -0.75 4.49 5.09 2ezvA1 SER 185 HB2 0.24 -0.00 -0.01 -0.04 3.95 4.14 2ezvA1 SER 185 HB3 0.11 -0.01 0.18 -0.04 3.93 4.17 2ezvA1 LEU 186 H 0.09 0.41 0.08 -0.55 8.37 8.41 2ezvA1 LEU 186 HA -0.22 0.12 0.66 -0.75 4.35 4.16 2ezvA1 LEU 186 HB2 0.16 -0.02 0.03 -0.04 1.64 1.78 2ezvA1 LEU 186 HB3 0.07 0.02 -0.03 -0.04 1.64 1.65 2ezvA1 LEU 186 HG 0.23 0.01 -0.19 -0.04 1.64 1.64 2ezvA1 LEU 186 HD13 -0.06 -0.00 -0.10 -0.04 0.93 0.72 2ezvA1 LEU 186 HD23 -0.36 -0.01 -0.27 -0.04 0.89 0.21 2ezvA1 PRO 187 HA 0.02 0.01 0.43 -0.51 4.44 4.39 2ezvA1 PRO 187 HB2 0.01 0.03 -0.07 -0.04 2.28 2.21 2ezvA1 PRO 187 HB3 -0.47 0.04 0.05 -0.04 2.02 1.60 2ezvA1 PRO 187 HG2 0.06 -0.01 -0.04 -0.04 2.03 2.00 2ezvA1 PRO 187 HG3 -0.64 0.06 0.00 -0.04 2.03 1.41 2ezvA1 PRO 187 HD2 -0.12 0.02 0.19 -0.04 3.68 3.72 2ezvA1 PRO 187 HD3 -0.48 0.25 0.19 -0.04 3.65 3.56 2ezvA1 HIS 188 H 0.20 0.06 0.13 -0.55 8.41 8.25 2ezvA1 HIS 188 HA 0.05 0.18 0.43 -0.75 4.63 4.55 2ezvA1 HIS 188 HB2 0.03 0.14 0.17 -0.04 3.26 3.56 2ezvA1 HIS 188 HB3 0.09 -0.12 0.06 -0.04 3.20 3.19 2ezvA1 HIS 188 HD2 -0.12 0.41 0.24 -0.04 6.97 7.45 2ezvA1 HIS 188 HE1 0.25 -0.01 0.07 -0.04 7.75 8.02 2ezvA1 ALA 189 H -0.73 0.27 0.17 -0.55 8.40 7.56 2ezvA1 ALA 189 HA 0.02 0.07 0.36 -0.75 4.34 4.04 2ezvA1 ALA 189 HB3 -0.08 0.07 0.18 -0.04 1.41 1.54 2ezvA1 ARG 190 H 0.77 0.10 -0.22 -0.55 8.46 8.56 2ezvA1 ARG 190 HA 0.18 0.08 0.37 -0.75 4.34 4.22 2ezvA1 ARG 190 HB2 0.29 -0.01 -0.00 -0.04 1.90 2.13 2ezvA1 ARG 190 HB3 0.16 0.03 0.02 -0.04 1.80 1.97 2ezvA1 ARG 190 HG2 0.20 0.02 0.04 -0.04 1.67 1.89 2ezvA1 ARG 190 HG3 0.47 -0.04 0.04 -0.04 1.67 2.09 2ezvA1 ARG 190 HD2 0.08 -0.04 -0.02 -0.04 3.22 3.20 2ezvA1 ARG 190 HD3 0.19 0.01 -0.05 -0.04 3.22 3.33 2ezvA1 LEU 191 H 0.23 0.51 -0.57 -0.55 8.37 7.99 2ezvA1 LEU 191 HA 0.16 0.11 0.65 -0.75 4.35 4.52 2ezvA1 LEU 191 HB2 0.26 0.19 -0.03 -0.04 1.64 2.01 2ezvA1 LEU 191 HB3 0.41 -0.03 0.11 -0.04 1.64 2.09 2ezvA1 LEU 191 HG 0.21 -0.09 -0.14 -0.04 1.64 1.57 2ezvA1 LEU 191 HD13 0.22 -0.03 -0.00 -0.04 0.93 1.07 2ezvA1 LEU 191 HD23 0.20 0.03 -0.03 -0.04 0.89 1.06 2ezvA1 LYS 192 H 0.13 0.58 -0.29 -0.55 8.42 8.29 2ezvA1 LYS 192 HA 0.14 0.02 0.30 -0.75 4.32 4.03 2ezvA1 LYS 192 HB2 0.08 0.04 0.16 -0.04 1.87 2.11 2ezvA1 LYS 192 HB3 0.07 -0.03 0.10 -0.04 1.79 1.89 2ezvA1 LYS 192 HG2 0.05 0.02 -0.34 -0.04 1.46 1.14 2ezvA1 LYS 192 HG3 0.07 0.03 0.01 -0.04 1.46 1.53 2ezvA1 LYS 192 HD2 0.03 -0.09 0.08 -0.04 1.69 1.67 2ezvA1 LYS 192 HD3 0.03 -0.08 0.01 -0.04 1.68 1.61 2ezvA1 LYS 192 HE2 0.01 -0.13 -0.03 -0.04 2.99 2.79 2ezvA1 LYS 192 HE3 0.02 -0.01 -0.03 -0.04 2.99 2.93 2ezvA1 GLN 193 H 0.07 0.17 -0.19 -0.55 8.47 7.97 2ezvA1 GLN 193 HA 0.02 0.09 0.33 -0.75 4.36 4.04 2ezvA1 GLN 193 HB2 0.03 -0.00 0.04 -0.04 2.15 2.17 2ezvA1 GLN 193 HB3 0.01 0.02 0.06 -0.04 2.02 2.07 2ezvA1 GLN 193 HG2 0.03 -0.02 0.04 -0.04 2.40 2.41 2ezvA1 GLN 193 HG3 0.02 -0.01 0.04 -0.04 2.39 2.40 2ezvA1 GLN 193 HE21 0.01 0.15 0.03 -0.04 6.97 7.12 2ezvA1 GLN 193 HE22 0.03 -0.07 -0.11 -0.04 7.69 7.50 2ezvA1 ARG 194 H 0.06 0.27 -0.57 -0.55 8.46 7.66 2ezvA1 ARG 194 HA -0.11 0.12 0.75 -0.75 4.34 4.34 2ezvA1 ARG 194 HB2 0.01 0.09 0.14 -0.04 1.90 2.10 2ezvA1 ARG 194 HB3 -0.44 0.02 -0.00 -0.04 1.80 1.34 2ezvA1 ARG 194 HG2 -0.08 0.03 0.01 -0.04 1.67 1.59 2ezvA1 ARG 194 HG3 0.00 -0.07 -0.05 -0.04 1.67 1.51 2ezvA1 ARG 194 HD2 0.07 -0.02 -0.02 -0.04 3.22 3.21 2ezvA1 ARG 194 HD3 -0.07 0.06 -0.01 -0.04 3.22 3.16 2ezvA1 TYR 195 H 0.14 0.29 0.04 -0.55 8.29 8.21 2ezvA1 TYR 195 HA -0.05 0.26 1.10 -0.75 4.56 5.12 2ezvA1 TYR 195 HB2 0.02 0.00 -0.00 -0.04 3.06 3.04 2ezvA1 TYR 195 HB3 -0.12 -0.08 0.01 -0.04 2.98 2.75 2ezvA1 TYR 195 HD2 0.11 0.03 -0.02 -0.04 7.15 7.23 2ezvA1 TYR 195 HE2 -0.03 -0.02 -0.13 -0.04 6.85 6.64 2ezvA1 ASN 196 H 0.05 0.74 0.13 -0.55 8.53 8.91 2ezvA1 ASN 196 HA -0.03 0.50 0.84 -0.75 4.76 5.30 2ezvA1 ASN 196 HB2 -0.03 -0.09 -0.10 -0.04 2.88 2.63 2ezvA1 ASN 196 HB3 0.10 -0.03 0.13 -0.04 2.79 2.95 2ezvA1 ASN 196 HD21 0.11 0.34 0.01 -0.04 7.03 7.44 2ezvA1 ASN 196 HD22 0.03 0.43 0.16 -0.04 7.74 8.32 2ezvA1 PRO 197 HA 0.01 0.01 0.44 -0.51 4.44 4.39 2ezvA1 PRO 197 HB2 -0.01 -0.06 0.02 -0.04 2.28 2.19 2ezvA1 PRO 197 HB3 -0.01 0.14 0.17 -0.04 2.02 2.28 2ezvA1 PRO 197 HG2 -0.01 -0.09 0.06 -0.04 2.03 1.94 2ezvA1 PRO 197 HG3 -0.03 0.07 0.01 -0.04 2.03 2.05 2ezvA1 PRO 197 HD2 -0.03 0.34 -0.02 -0.04 3.68 3.93 2ezvA1 PRO 197 HD3 -0.03 0.11 -0.32 -0.04 3.65 3.37 2ezvA1 ASP 198 H 0.00 0.35 -0.05 -0.55 8.40 8.16 2ezvA1 ASP 198 HA -0.00 0.18 0.56 -0.75 4.63 4.61 2ezvA1 ASP 198 HB2 -0.01 -0.03 0.03 -0.04 2.71 2.66 2ezvA1 ASP 198 HB3 -0.01 0.12 -0.11 -0.04 2.70 2.66 2ezvA1 PRO 199 HA 0.04 0.30 0.00 -0.51 4.44 4.28 2ezvA1 PRO 199 HB2 -0.01 0.00 -0.24 -0.04 2.28 1.98 2ezvA1 PRO 199 HB3 -0.04 0.03 -0.15 -0.04 2.02 1.82 2ezvA1 PRO 199 HG2 -0.01 0.01 -0.05 -0.04 2.03 1.94 2ezvA1 PRO 199 HG3 -0.03 0.04 -0.03 -0.04 2.03 1.98 2ezvA1 PRO 199 HD2 -0.01 0.11 0.16 -0.04 3.68 3.89 2ezvA1 PRO 199 HD3 -0.02 0.16 0.06 -0.04 3.65 3.81 2ezvA1 ASP 200 H 0.01 0.05 -0.54 -0.55 8.40 7.37 2ezvA1 ASP 200 HA 0.02 0.19 0.90 -0.75 4.63 4.99 2ezvA1 ASP 200 HB2 -0.00 -0.00 -0.02 -0.04 2.71 2.64 2ezvA1 ASP 200 HB3 -0.00 0.02 0.12 -0.04 2.70 2.79 2ezvA1 THR 201 H 0.01 0.57 -0.15 -0.55 8.28 8.16 2ezvA1 THR 201 HA -0.02 0.14 0.89 -0.75 4.39 4.65 2ezvA1 THR 201 HB -0.02 -0.09 0.16 -0.04 4.32 4.33 2ezvA1 THR 201 HG23 -0.04 0.04 -0.09 -0.04 1.22 1.08 2ezvA1 SER 202 H -0.02 0.26 0.07 -0.55 8.46 8.22 2ezvA1 SER 202 HA -0.25 0.34 0.61 -0.75 4.49 4.44 2ezvA1 SER 202 HB2 0.07 -0.07 0.18 -0.04 3.95 4.09 2ezvA1 SER 202 HB3 0.06 0.20 -0.32 -0.04 3.93 3.83 2ezvA1 PHE 203 H -1.07 0.25 0.13 -0.55 8.34 7.10 2ezvA1 PHE 203 HA -0.08 0.14 0.74 -0.75 4.62 4.67 2ezvA1 PHE 203 HB2 -0.16 -0.09 0.14 -0.04 3.15 2.99 2ezvA1 PHE 203 HB3 -0.12 0.08 -0.27 -0.04 3.06 2.71 2ezvA1 PHE 203 HD2 -0.50 0.02 -0.23 -0.04 7.28 6.53 2ezvA1 PHE 203 HE2 -0.70 0.02 -0.06 -0.04 7.38 6.60 2ezvA1 PHE 203 HZ -0.30 0.02 -0.04 -0.04 7.32 6.96 2ezvA1 PHE 204 H -0.03 0.07 -0.30 -0.55 8.34 7.52 2ezvA1 PHE 204 HA 0.06 0.35 0.85 -0.75 4.62 5.12 2ezvA1 PHE 204 HB2 -0.03 0.01 -0.10 -0.04 3.15 2.99 2ezvA1 PHE 204 HB3 -0.19 -0.02 -0.00 -0.04 3.06 2.80 2ezvA1 PHE 204 HD2 -0.04 0.12 -0.04 -0.04 7.28 7.28 2ezvA1 PHE 204 HE2 -0.02 0.04 -0.12 -0.04 7.38 7.24 2ezvA1 PHE 204 HZ 0.13 0.01 -0.12 -0.04 7.32 7.30 2ezvA1 GLY 205 H -0.16 0.47 0.24 -0.55 8.43 8.44 2ezvA1 GLY 205 HA2 -0.77 0.11 0.52 -0.51 4.01 3.37 2ezvA1 GLY 205 HA3 -0.08 0.03 0.18 -0.51 4.01 3.63 2ezvA1 ALA 206 H -0.05 0.08 0.09 -0.55 8.40 7.97 2ezvA1 ALA 206 HA 0.38 0.00 0.34 -0.75 4.34 4.31 2ezvA1 ALA 206 HB3 0.17 0.00 0.10 -0.04 1.41 1.64 2ezvA1 GLY 207 H 0.31 0.10 0.16 -0.55 8.43 8.46 2ezvA1 GLY 207 HA2 0.13 0.04 0.09 -0.51 4.01 3.76 2ezvA1 GLY 207 HA3 0.34 0.07 0.09 -0.51 4.01 4.00 2ezvA1 LYS 208 H 0.16 0.06 0.04 -0.55 8.42 8.12 2ezvA1 LYS 208 HA 0.03 0.24 0.69 -0.75 4.32 4.52 2ezvA1 LYS 208 HB2 0.03 0.03 -0.02 -0.04 1.87 1.86 2ezvA1 LYS 208 HB3 0.06 -0.05 0.02 -0.04 1.79 1.77 2ezvA1 LYS 208 HG2 0.03 -0.01 0.06 -0.04 1.46 1.50 2ezvA1 LYS 208 HG3 0.02 0.03 0.05 -0.04 1.46 1.52 2ezvA1 LYS 208 HD2 0.04 -0.03 -0.03 -0.04 1.69 1.63 2ezvA1 LYS 208 HD3 0.03 0.00 -0.01 -0.04 1.68 1.66 2ezvA1 LYS 208 HE2 0.00 0.01 -0.05 -0.04 2.99 2.91 2ezvA1 LYS 208 HE3 0.02 0.00 -0.02 -0.04 2.99 2.96 2ezvA1 HIS 209 H 0.44 -0.13 -0.17 -0.55 8.41 8.01 2ezvA1 HIS 209 HA 0.01 0.11 0.36 -0.75 4.63 4.36 2ezvA1 HIS 209 HB2 0.01 -0.01 -0.06 -0.04 3.26 3.16 2ezvA1 HIS 209 HB3 0.01 -0.05 0.01 -0.04 3.20 3.13 2ezvA1 HIS 209 HD2 0.01 0.26 -0.33 -0.04 6.97 6.87 2ezvA1 HIS 209 HE1 0.07 0.01 0.07 -0.04 7.75 7.86 2ezvA1 SER 210 H 0.07 0.11 0.04 -0.55 8.46 8.13 2ezvA1 SER 210 HA -0.11 0.31 0.93 -0.75 4.49 4.87 2ezvA1 SER 210 HB2 -0.02 0.15 0.01 -0.04 3.95 4.05 2ezvA1 SER 210 HB3 0.01 0.01 0.16 -0.04 3.93 4.07 2ezvA1 PRO 211 HA 0.06 0.19 0.42 -0.51 4.44 4.60 2ezvA1 PRO 211 HB2 0.01 0.08 -0.02 -0.04 2.28 2.31 2ezvA1 PRO 211 HB3 0.03 0.07 0.05 -0.04 2.02 2.12 2ezvA1 PRO 211 HG2 -0.05 -0.03 0.08 -0.04 2.03 2.00 2ezvA1 PRO 211 HG3 -0.07 0.07 0.04 -0.04 2.03 2.03 2ezvA1 PRO 211 HD2 -0.15 0.16 0.22 -0.04 3.68 3.87 2ezvA1 PRO 211 HD3 -0.42 0.18 -0.08 -0.04 3.65 3.30 2ezvA1 ALA 212 H -0.02 0.13 -0.15 -0.55 8.40 7.81 2ezvA1 ALA 212 HA -0.00 0.12 0.38 -0.75 4.34 4.08 2ezvA1 ALA 212 HB3 -0.01 0.01 0.04 -0.04 1.41 1.41 2ezvA1 ARG 213 H 0.00 0.03 -0.37 -0.55 8.46 7.57 2ezvA1 ARG 213 HA 0.01 0.14 0.55 -0.75 4.34 4.28 2ezvA1 ARG 213 HB2 0.01 -0.02 0.08 -0.04 1.90 1.94 2ezvA1 ARG 213 HB3 0.01 0.02 0.10 -0.04 1.80 1.89 2ezvA1 ARG 213 HG2 0.00 0.05 0.01 -0.04 1.67 1.69 2ezvA1 ARG 213 HG3 0.00 -0.08 -0.05 -0.04 1.67 1.50 2ezvA1 ARG 213 HD2 0.00 -0.04 0.02 -0.04 3.22 3.16 2ezvA1 ARG 213 HD3 0.01 0.01 0.02 -0.04 3.22 3.21 2ezvA1 GLY 214 H 0.02 0.28 -0.77 -0.55 8.43 7.42 2ezvA1 GLY 214 HA2 0.03 0.09 0.29 -0.51 4.01 3.91 2ezvA1 GLY 214 HA3 0.02 0.04 0.41 -0.51 4.01 3.97 2ezvA1 GLU 215 H 0.06 0.39 -0.13 -0.55 8.60 8.38 2ezvA1 GLU 215 HA 0.03 0.11 0.46 -0.75 4.29 4.14 2ezvA1 GLU 215 HB2 0.14 -0.25 -0.02 -0.04 2.09 1.91 2ezvA1 GLU 215 HB3 0.07 -0.03 0.05 -0.04 1.99 2.04 2ezvA1 GLU 215 HG2 0.03 0.12 -0.05 -0.04 2.34 2.41 2ezvA1 GLU 215 HG3 0.04 0.14 0.02 -0.04 2.34 2.50 2ezvA1 VAL 216 H 0.01 0.10 0.13 -0.55 8.24 7.92 2ezvA1 VAL 216 HA -0.02 0.12 0.33 -0.75 4.13 3.80 2ezvA1 VAL 216 HB -0.06 -0.15 0.09 -0.04 2.12 1.96 2ezvA1 VAL 216 HG13 -0.08 0.04 -0.11 -0.04 0.97 0.78 2ezvA1 VAL 216 HG23 -0.03 0.01 0.10 -0.04 0.95 0.99 2ezvA1 ALA 217 H -0.18 -0.09 -0.23 -0.55 8.40 7.36 2ezvA1 ALA 217 HA -1.83 -0.10 0.30 -0.75 4.34 1.95 2ezvA1 ALA 217 HB3 -0.21 0.04 0.24 -0.04 1.41 1.44 2ezvA1 ARG 218 H -0.93 0.03 0.17 -0.55 8.46 7.19 2ezvA1 ARG 218 HA -0.09 0.23 0.91 -0.75 4.34 4.63 2ezvA1 ARG 218 HB2 0.08 -0.28 0.10 -0.04 1.90 1.76 2ezvA1 ARG 218 HB3 0.02 0.19 0.20 -0.04 1.80 2.17 2ezvA1 ARG 218 HG2 -0.04 0.04 0.02 -0.04 1.67 1.66 2ezvA1 ARG 218 HG3 -0.05 -0.15 -0.27 -0.04 1.67 1.16 2ezvA1 ARG 218 HD2 0.04 0.05 -0.12 -0.04 3.22 3.14 2ezvA1 ARG 218 HD3 0.01 0.03 -0.08 -0.04 3.22 3.14 2ezvA1 ILE 219 H 0.02 0.60 0.33 -0.55 8.25 8.65 2ezvA1 ILE 219 HA 0.09 0.13 0.80 -0.75 4.18 4.46 2ezvA1 ILE 219 HB 0.03 0.02 -0.28 -0.04 1.89 1.61 2ezvA1 ILE 219 HG12 0.11 0.13 0.04 -0.04 1.49 1.73 2ezvA1 ILE 219 HG13 0.03 0.07 0.09 -0.04 1.21 1.36 2ezvA1 ILE 219 HG23 0.03 0.02 -0.23 -0.04 0.93 0.72 2ezvA1 ILE 219 HD13 -0.14 -0.00 -0.15 -0.04 0.88 0.55 2ezvA1 ARG 220 H 0.01 0.47 0.20 -0.55 8.46 8.58 2ezvA1 ARG 220 HA -0.03 0.31 1.14 -0.75 4.34 5.00 2ezvA1 ARG 220 HB2 0.03 0.13 -0.20 -0.04 1.90 1.83 2ezvA1 ARG 220 HB3 -0.21 -0.07 -0.13 -0.04 1.80 1.34 2ezvA1 ARG 220 HG2 -0.11 0.04 -0.18 -0.04 1.67 1.39 2ezvA1 ARG 220 HG3 -0.00 -0.12 -0.28 -0.04 1.67 1.23 2ezvA1 ARG 220 HD2 0.03 0.17 -0.16 -0.04 3.22 3.22 2ezvA1 ARG 220 HD3 -0.36 -0.10 -0.17 -0.04 3.22 2.55 2ezvA1 VAL 221 H -0.15 0.52 0.30 -0.55 8.24 8.35 2ezvA1 VAL 221 HA 0.04 0.31 0.86 -0.75 4.13 4.59 2ezvA1 VAL 221 HB -0.19 -0.03 -0.00 -0.04 2.12 1.86 2ezvA1 VAL 221 HG13 -0.33 -0.01 -0.29 -0.04 0.97 0.29 2ezvA1 VAL 221 HG23 -0.08 0.00 -0.23 -0.04 0.95 0.60 2ezvA1 TYR 222 H 0.17 0.91 0.26 -0.55 8.29 9.08 2ezvA1 TYR 222 HA -0.18 -0.00 1.02 -0.75 4.56 4.64 2ezvA1 TYR 222 HB2 -0.05 0.17 0.11 -0.04 3.06 3.25 2ezvA1 TYR 222 HB3 -0.09 -0.14 0.03 -0.04 2.98 2.74 2ezvA1 TYR 222 HD2 -0.12 0.02 -0.20 -0.04 7.15 6.81 2ezvA1 TYR 222 HE2 -0.13 -0.00 -0.13 -0.04 6.85 6.55 2ezvA1 PHE 223 H -0.19 0.06 0.16 -0.55 8.34 7.82 2ezvA1 PHE 223 HA -0.22 0.14 0.26 -0.75 4.62 4.05 2ezvA1 PHE 223 HB2 -0.22 -0.12 0.14 -0.04 3.15 2.91 2ezvA1 PHE 223 HB3 -0.18 0.11 -0.04 -0.04 3.06 2.91 2ezvA1 PHE 223 HD2 -0.50 -0.01 -0.09 -0.04 7.28 6.63 2ezvA1 PHE 223 HE2 -0.89 0.02 -0.29 -0.04 7.38 6.18 2ezvA1 PHE 223 HZ -1.00 -0.00 -0.24 -0.04 7.32 6.03 2ezvA1 ASP 224 H 0.07 0.03 -0.11 -0.55 8.40 7.84 2ezvA1 ASP 224 HA 0.01 0.13 0.36 -0.75 4.63 4.38 2ezvA1 ASP 224 HB2 0.00 0.08 0.01 -0.04 2.71 2.76 2ezvA1 ASP 224 HB3 0.01 0.00 0.08 -0.04 2.70 2.75 2ezvA1 ARG 225 H 0.07 0.09 -0.21 -0.55 8.46 7.85 2ezvA1 ARG 225 HA 0.02 0.11 0.45 -0.75 4.34 4.17 2ezvA1 ARG 225 HB2 0.13 0.03 0.16 -0.04 1.90 2.17 2ezvA1 ARG 225 HB3 0.08 0.09 0.01 -0.04 1.80 1.93 2ezvA1 ARG 225 HG2 -0.00 0.01 -0.00 -0.04 1.67 1.64 2ezvA1 ARG 225 HG3 0.02 -0.16 0.04 -0.04 1.67 1.53 2ezvA1 ARG 225 HD2 0.00 0.31 0.17 -0.04 3.22 3.67 2ezvA1 ARG 225 HD3 -0.06 -0.01 0.05 -0.04 3.22 3.15 2ezvA1 LEU 226 H -0.03 0.41 -0.15 -0.55 8.37 8.07 2ezvA1 LEU 226 HA -0.14 0.04 0.37 -0.75 4.35 3.87 2ezvA1 LEU 226 HB2 -0.54 -0.06 -0.02 -0.04 1.64 0.98 2ezvA1 LEU 226 HB3 -0.25 0.05 0.06 -0.04 1.64 1.46 2ezvA1 LEU 226 HG -0.39 0.04 -0.37 -0.04 1.64 0.88 2ezvA1 LEU 226 HD13 -0.94 0.02 -0.02 -0.04 0.93 -0.06 2ezvA1 LEU 226 HD23 -0.45 -0.00 -0.16 -0.04 0.89 0.23 2ezvA1 LYS 227 H -0.10 0.61 -0.08 -0.55 8.42 8.30 2ezvA1 LYS 227 HA -0.17 0.12 0.19 -0.75 4.32 3.70 2ezvA1 LYS 227 HB2 -0.10 -0.00 0.06 -0.04 1.87 1.78 2ezvA1 LYS 227 HB3 -0.06 0.01 0.07 -0.04 1.79 1.77 2ezvA1 LYS 227 HG2 -0.08 -0.01 -0.27 -0.04 1.46 1.05 2ezvA1 LYS 227 HG3 -0.12 0.08 0.08 -0.04 1.46 1.46 2ezvA1 LYS 227 HD2 -0.08 -0.02 -0.03 -0.04 1.69 1.51 2ezvA1 LYS 227 HD3 -0.07 0.01 -0.03 -0.04 1.68 1.55 2ezvA1 LYS 227 HE2 -0.03 -0.03 -0.05 -0.04 2.99 2.84 2ezvA1 LYS 227 HE3 -0.05 0.01 -0.08 -0.04 2.99 2.83 2ezvA1 GLU 228 H -0.03 0.46 -0.28 -0.55 8.60 8.20 2ezvA1 GLU 228 HA -0.04 -0.00 0.39 -0.75 4.29 3.88 2ezvA1 ALA 229 H 0.01 0.40 -0.39 -0.55 8.40 7.87 2ezvA1 ALA 229 HA 0.00 0.02 0.50 -0.75 4.34 4.11 2ezvA1 ALA 229 HB3 0.20 0.01 0.11 -0.04 1.41 1.68 2ezvA1 CYS 230 H -0.09 0.36 -0.46 -0.55 8.50 7.76 2ezvA1 CYS 230 HA -0.13 0.05 0.43 -0.75 4.58 4.17 2ezvA1 CYS 230 HB2 0.02 0.19 -0.08 -0.04 2.97 3.06 2ezvA1 CYS 230 HB3 -0.33 -0.02 0.02 -0.04 2.97 2.60 2ezvA1 PRO 231 HA -0.15 0.06 0.48 -0.51 4.44 4.31 2ezvA1 PRO 231 HB2 -0.05 -0.06 -0.07 -0.04 2.28 2.06 2ezvA1 PRO 231 HB3 -0.10 -0.02 0.02 -0.04 2.02 1.88 2ezvA1 PRO 231 HG2 -0.06 -0.03 0.02 -0.04 2.03 1.92 2ezvA1 PRO 231 HG3 -0.08 0.13 0.07 -0.04 2.03 2.10 2ezvA1 PRO 231 HD2 -0.05 0.01 0.10 -0.04 3.68 3.70 2ezvA1 PRO 231 HD3 -0.08 0.24 0.03 -0.04 3.65 3.80 2ezvA1 TRP 232 H -0.14 0.05 -0.27 -0.55 7.97 7.07 2ezvA1 TRP 232 HA -0.44 0.28 0.45 -0.75 4.62 4.15 2ezvA1 TRP 232 HB2 -0.27 0.03 0.15 -0.04 3.23 3.10 2ezvA1 TRP 232 HB3 -0.19 -0.08 0.14 -0.04 3.23 3.06 2ezvA1 TRP 232 HD1 0.01 -0.05 0.00 -0.04 7.22 7.15 2ezvA1 TRP 232 HE1 0.08 -0.02 -0.03 -0.04 10.20 10.18 2ezvA1 TRP 232 HE3 -0.01 0.04 -0.45 -0.04 7.59 7.13 2ezvA1 TRP 232 HZ2 0.09 -0.06 -0.06 -0.04 7.44 7.37 2ezvA1 TRP 232 HZ3 0.04 0.02 -0.23 -0.04 7.13 6.92 2ezvA1 TRP 232 HH2 0.05 -0.04 -0.07 -0.04 7.19 7.08 2ezvA1 ARG 233 H -0.59 0.51 -0.30 -0.55 8.46 7.53 2ezvA1 ARG 233 HA -0.11 0.06 0.46 -0.75 4.34 4.00 2ezvA1 ARG 233 HB2 -0.53 0.19 0.04 -0.04 1.90 1.56 2ezvA1 ARG 233 HB3 -0.44 -0.01 0.16 -0.04 1.80 1.47 2ezvA1 ARG 233 HG2 -1.00 -0.03 0.01 -0.04 1.67 0.60 2ezvA1 ARG 233 HG3 -1.82 -0.10 -0.02 -0.04 1.67 -0.31 2ezvA1 ARG 233 HD2 -0.61 0.03 0.00 -0.04 3.22 2.61 2ezvA1 ARG 233 HD3 -0.61 0.15 0.09 -0.04 3.22 2.82 2ezvA1 LEU 234 H -0.22 0.42 -0.40 -0.55 8.37 7.63 2ezvA1 LEU 234 HA -0.23 0.16 0.93 -0.75 4.35 4.45 2ezvA1 LEU 234 HB2 -0.25 -0.07 -0.14 -0.04 1.64 1.14 2ezvA1 LEU 234 HB3 -0.18 0.03 0.11 -0.04 1.64 1.56 2ezvA1 LEU 234 HG -0.29 -0.11 -0.03 -0.04 1.64 1.17 2ezvA1 LEU 234 HD13 -0.04 -0.01 -0.17 -0.04 0.93 0.66 2ezvA1 LEU 234 HD23 -0.51 0.03 -0.04 -0.04 0.89 0.32 2ezvA1 GLN 235 H -0.12 0.57 0.34 -0.55 8.47 8.72 2ezvA1 GLN 235 HA -0.16 0.16 1.02 -0.75 4.36 4.62 2ezvA1 GLN 235 HB2 0.01 -0.04 0.12 -0.04 2.15 2.20 2ezvA1 GLN 235 HB3 0.02 0.01 0.12 -0.04 2.02 2.14 2ezvA1 GLN 235 HG2 -0.12 0.09 -0.26 -0.04 2.40 2.07 2ezvA1 GLN 235 HG3 0.12 -0.04 -0.04 -0.04 2.39 2.40 2ezvA1 GLN 235 HE21 -1.38 0.43 0.26 -0.04 6.97 6.24 2ezvA1 GLN 235 HE22 -0.66 0.48 0.16 -0.04 7.69 7.63 2ezvA1 GLU 236 H -0.09 0.28 0.21 -0.55 8.60 8.45 2ezvA1 GLU 236 HA -0.32 0.22 0.96 -0.75 4.29 4.39 2ezvA1 GLU 236 HB2 -0.36 0.01 -0.25 -0.04 2.09 1.45 2ezvA1 GLU 236 HB3 -0.22 -0.02 0.01 -0.04 1.99 1.72 2ezvA1 GLU 236 HG2 -0.40 -0.01 -0.35 -0.04 2.34 1.54 2ezvA1 GLU 236 HG3 -1.52 0.01 -0.13 -0.04 2.34 0.67 2ezvA1 LEU 237 H -0.23 0.65 0.22 -0.55 8.37 8.47 2ezvA1 LEU 237 HA -0.11 0.25 0.93 -0.75 4.35 4.67 2ezvA1 LEU 237 HB2 -0.19 -0.04 0.25 -0.04 1.64 1.63 2ezvA1 LEU 237 HB3 -0.21 -0.03 0.04 -0.04 1.64 1.40 2ezvA1 LEU 237 HG -0.03 -0.02 -0.14 -0.04 1.64 1.40 2ezvA1 LEU 237 HD13 -0.02 0.01 -0.10 -0.04 0.93 0.79 2ezvA1 LEU 237 HD23 0.08 0.06 -0.00 -0.04 0.89 0.98 2ezvA1 HIS 238 H -0.05 0.23 0.17 -0.55 8.41 8.22 2ezvA1 HIS 238 HA -0.14 0.18 1.06 -0.75 4.63 4.98 2ezvA1 HIS 238 HB2 -0.11 -0.03 -0.03 -0.04 3.26 3.05 2ezvA1 HIS 238 HB3 -0.07 -0.04 0.06 -0.04 3.20 3.10 2ezvA1 HIS 238 HD2 0.01 -0.12 -0.22 -0.04 6.97 6.59 2ezvA1 HIS 238 HE1 0.11 -0.09 0.03 -0.04 7.75 7.75 2ezvA1 TYR 239 H -0.53 0.73 0.41 -0.55 8.29 8.34 2ezvA1 TYR 239 HA -0.16 0.11 0.90 -0.75 4.56 4.65 2ezvA1 TYR 239 HB2 -0.25 0.16 0.21 -0.04 3.06 3.14 2ezvA1 TYR 239 HB3 -0.15 0.00 -0.03 -0.04 2.98 2.76 2ezvA1 TYR 239 HD2 -0.11 0.09 -0.40 -0.04 7.15 6.70 2ezvA1 TYR 239 HE2 -0.10 0.02 -0.19 -0.04 6.85 6.54 2ezvA1 SER 240 H 0.04 0.35 0.25 -0.55 8.46 8.55 2ezvA1 SER 240 HA 0.02 0.18 0.78 -0.75 4.49 4.72 2ezvA1 SER 240 HB2 0.07 -0.04 0.12 -0.04 3.95 4.06 2ezvA1 SER 240 HB3 0.11 0.08 -0.09 -0.04 3.93 4.00 2ezvA1 ALA 241 H 0.04 0.16 0.12 -0.55 8.40 8.16 2ezvA1 ALA 241 HA 0.02 0.17 0.39 -0.75 4.34 4.17 2ezvA1 ALA 241 HB3 0.02 0.00 0.09 -0.04 1.41 1.49 2ezvA1 ASP 242 H 0.04 -0.09 -0.82 -0.55 8.40 6.99 2ezvA1 ASP 242 HA 0.04 0.05 0.41 -0.75 4.63 4.38 2ezvA1 ASP 242 HB2 0.05 0.02 0.03 -0.04 2.71 2.77 2ezvA1 ASP 242 HB3 0.04 0.01 -0.01 -0.04 2.70 2.69 2ezvA1 SER 243 H 0.07 0.30 0.03 -0.55 8.46 8.32 2ezvA1 SER 243 HA 0.09 0.16 0.72 -0.75 4.49 4.71 2ezvA1 SER 243 HB2 0.19 -0.11 0.16 -0.04 3.95 4.14 2ezvA1 SER 243 HB3 0.10 0.01 -0.16 -0.04 3.93 3.84 2ezvA1 GLU 244 H 0.19 0.10 0.15 -0.55 8.60 8.49 2ezvA1 GLU 244 HA 0.05 0.15 0.55 -0.75 4.29 4.29 2ezvA1 GLU 244 HB2 0.01 -0.02 0.05 -0.04 2.09 2.09 2ezvA1 GLU 244 HB3 -0.06 0.02 0.11 -0.04 1.99 2.03 2ezvA1 GLU 244 HG2 0.03 0.05 -0.04 -0.04 2.34 2.33 2ezvA1 GLU 244 HG3 0.09 -0.03 0.06 -0.04 2.34 2.41 2ezvA1 TYR 245 H 0.38 -0.03 -0.12 -0.55 8.29 7.96 2ezvA1 TYR 245 HA 0.03 0.06 0.61 -0.75 4.56 4.51 2ezvA1 TYR 245 HB2 0.04 -0.02 0.03 -0.04 3.06 3.06 2ezvA1 TYR 245 HB3 -0.34 0.14 0.09 -0.04 2.98 2.83 2ezvA1 TYR 245 HD2 -0.03 0.05 0.05 -0.04 7.15 7.18 2ezvA1 TYR 245 HE2 0.13 0.14 0.05 -0.04 6.85 7.12 2ezvA1 THR 246 H -0.19 0.06 0.06 -0.55 8.28 7.66 2ezvA1 THR 246 HA -0.44 0.13 0.31 -0.75 4.39 3.63 2ezvA1 THR 246 HB -0.37 -0.07 -0.15 -0.04 4.32 3.69 2ezvA1 THR 246 HG23 -1.14 -0.00 -0.19 -0.04 1.22 -0.15 2ezvA1 GLN 247 H -0.15 0.58 0.30 -0.55 8.47 8.65 2ezvA1 GLN 247 HA -0.07 0.12 0.58 -0.75 4.36 4.24 2ezvA1 GLN 247 HB2 -0.02 -0.09 0.22 -0.04 2.15 2.22 2ezvA1 GLN 247 HB3 -0.03 -0.00 0.00 -0.04 2.02 1.95 2ezvA1 GLN 247 HG2 -0.00 0.10 0.07 -0.04 2.40 2.52 2ezvA1 GLN 247 HG3 0.05 -0.06 -0.01 -0.04 2.39 2.33 2ezvA1 GLN 247 HE21 0.04 -0.02 -0.05 -0.04 6.97 6.90 2ezvA1 GLN 247 HE22 0.04 -0.06 -0.00 -0.04 7.69 7.62 2ezvA1 PRO 248 HA -0.47 0.09 0.44 -0.51 4.44 4.00 2ezvA1 PRO 248 HB2 -1.52 0.02 0.20 -0.04 2.28 0.94 2ezvA1 PRO 248 HB3 -0.62 0.02 0.06 -0.04 2.02 1.45 2ezvA1 PRO 248 HG2 -0.21 -0.11 0.20 -0.04 2.03 1.87 2ezvA1 PRO 248 HG3 0.04 0.04 0.15 -0.04 2.03 2.22 2ezvA1 PRO 248 HD2 -0.07 -0.01 0.22 -0.04 3.68 3.79 2ezvA1 PRO 248 HD3 -0.11 0.32 0.24 -0.04 3.65 4.06 2ezvA1 ARG 249 H 0.01 0.43 0.35 -0.55 8.46 8.70 2ezvA1 ARG 249 HA 0.15 0.30 1.04 -0.75 4.34 5.08 2ezvA1 TRP 250 H 0.41 0.83 0.32 -0.55 7.97 8.98 2ezvA1 TRP 250 HA 0.10 0.14 0.98 -0.75 4.62 5.09 2ezvA1 TRP 250 HB2 -0.01 0.01 -0.09 -0.04 3.23 3.11 2ezvA1 TRP 250 HB3 0.13 -0.02 0.07 -0.04 3.23 3.36 2ezvA1 TRP 250 HD1 0.01 -0.09 -0.19 -0.04 7.22 6.91 2ezvA1 TRP 250 HE1 -0.05 -0.08 -0.11 -0.04 10.20 9.91 2ezvA1 TRP 250 HE3 -0.05 0.00 0.04 -0.04 7.59 7.54 2ezvA1 TRP 250 HZ2 -0.18 -0.07 -0.01 -0.04 7.44 7.13 2ezvA1 TRP 250 HZ3 -0.02 0.00 -0.15 -0.04 7.13 6.92 2ezvA1 TRP 250 HH2 -0.04 0.01 -0.05 -0.04 7.19 7.07 2ezvA1 ARG 251 H -0.54 0.19 0.19 -0.55 8.46 7.75 2ezvA1 ARG 251 HA -0.19 0.12 0.83 -0.75 4.34 4.35 2ezvA1 ARG 251 HB2 -0.18 -0.09 0.08 -0.04 1.90 1.67 2ezvA1 ARG 251 HB3 -0.35 0.15 0.20 -0.04 1.80 1.75 2ezvA1 ARG 251 HG2 -0.19 -0.04 -0.37 -0.04 1.67 1.03 2ezvA1 ARG 251 HG3 -0.13 -0.08 -0.07 -0.04 1.67 1.34 2ezvA1 ARG 251 HD2 -0.17 0.36 0.13 -0.04 3.22 3.50 2ezvA1 ARG 251 HD3 -0.13 -0.10 0.01 -0.04 3.22 2.97 2ezvA1 ASP 252 H -0.12 0.64 0.38 -0.55 8.40 8.75 2ezvA1 ASP 252 HA -0.01 0.05 0.57 -0.75 4.63 4.48 2ezvA1 ASP 252 HB2 -0.02 0.04 -0.47 -0.04 2.71 2.21 2ezvA1 ASP 252 HB3 0.12 -0.00 -0.07 -0.04 2.70 2.70 2ezvA1 LEU 253 H 0.11 0.22 0.18 -0.55 8.37 8.34 2ezvA1 LEU 253 HA 0.04 0.22 1.08 -0.75 4.35 4.93 2ezvA1 LEU 253 HB2 0.06 -0.08 -0.29 -0.04 1.64 1.29 2ezvA1 LEU 253 HB3 0.03 0.02 -0.28 -0.04 1.64 1.37 2ezvA1 LEU 253 HG 0.13 0.04 -0.00 -0.04 1.64 1.76 2ezvA1 LEU 253 HD13 0.07 0.00 -0.06 -0.04 0.93 0.90 2ezvA1 LEU 253 HD23 0.22 -0.03 -0.06 -0.04 0.89 0.98 2ezvA1 ASN 254 H 0.09 0.85 0.24 -0.55 8.53 9.17 2ezvA1 ASN 254 HA 0.08 0.12 0.40 -0.75 4.76 4.60 2ezvA1 ASN 254 HB2 0.12 -0.34 0.07 -0.04 2.88 2.68 2ezvA1 ASN 254 HB3 0.08 -0.47 0.14 -0.04 2.79 2.49 2ezvA1 ASN 254 HD21 0.08 0.08 -0.02 -0.04 7.03 7.12 2ezvA1 ASN 254 HD22 0.13 -0.06 -0.00 -0.04 7.74 7.77 2ezvA1 ASP 255 H 0.06 0.17 0.20 -0.55 8.40 8.28 2ezvA1 ASP 255 HA 0.05 0.20 0.55 -0.75 4.63 4.67 2ezvA1 ASP 255 HB2 0.04 0.04 0.15 -0.04 2.71 2.90 2ezvA1 ASP 255 HB3 0.04 0.02 0.11 -0.04 2.70 2.83 2ezvA1 ALA 256 H 0.06 -0.11 -0.24 -0.55 8.40 7.57 2ezvA1 ALA 256 HA 0.04 0.27 0.78 -0.75 4.34 4.67 2ezvA1 ALA 256 HB3 0.04 0.00 0.06 -0.04 1.41 1.48 2ezvA1 GLY 257 H 0.07 0.29 -0.51 -0.55 8.43 7.74 2ezvA1 GLY 257 HA2 0.06 0.09 0.18 -0.51 4.01 3.84 2ezvA1 GLY 257 HA3 0.06 0.14 0.38 -0.51 4.01 4.08 2ezvA1 HIS 258 H 0.15 -0.12 -0.37 -0.55 8.41 7.53 2ezvA1 HIS 258 HA 0.02 0.20 0.65 -0.75 4.63 4.74 2ezvA1 HIS 258 HB2 0.02 0.05 -0.01 -0.04 3.26 3.27 2ezvA1 HIS 258 HB3 0.02 -0.13 0.01 -0.04 3.20 3.07 2ezvA1 HIS 258 HD2 0.01 0.02 0.03 -0.04 6.97 6.99 2ezvA1 HIS 258 HE1 0.01 -0.01 0.02 -0.04 7.75 7.73 2ezvA1 GLU 259 H -0.52 0.16 0.19 -0.55 8.60 7.89 2ezvA1 GLU 259 HA -0.10 0.19 0.70 -0.75 4.29 4.33 2ezvA1 GLU 259 HB2 -0.16 0.03 0.13 -0.04 2.09 2.06 2ezvA1 GLU 259 HB3 -0.25 -0.05 0.16 -0.04 1.99 1.81 2ezvA1 GLU 259 HG2 -0.11 0.03 -0.19 -0.04 2.34 2.03 2ezvA1 GLU 259 HG3 -0.10 0.02 -0.00 -0.04 2.34 2.22 2ezvA1 VAL 260 H -0.03 0.85 0.44 -0.55 8.24 8.95 2ezvA1 VAL 260 HA 0.02 0.15 0.98 -0.75 4.13 4.52 2ezvA1 VAL 260 HB 0.08 -0.03 -0.07 -0.04 2.12 2.05 2ezvA1 VAL 260 HG13 0.08 -0.01 -0.24 -0.04 0.97 0.76 2ezvA1 VAL 260 HG23 0.17 0.00 -0.27 -0.04 0.95 0.81 2ezvA1 THR 261 H 0.03 0.19 0.13 -0.55 8.28 8.08 2ezvA1 THR 261 HA 0.01 0.30 0.96 -0.75 4.39 4.90 2ezvA1 THR 261 HB 0.01 -0.04 0.12 -0.04 4.32 4.37 2ezvA1 THR 261 HG23 0.03 -0.01 -0.26 -0.04 1.22 0.94 2ezvA1 LYS 262 H 0.16 0.69 0.27 -0.55 8.42 8.98 2ezvA1 LYS 262 HA 0.10 0.14 0.98 -0.75 4.32 4.79 2ezvA1 GLU 263 H 0.09 0.09 0.19 -0.55 8.60 8.42 2ezvA1 GLU 263 HA 0.04 0.43 0.91 -0.75 4.29 4.92 2ezvA1 GLU 263 HB2 0.02 -0.07 0.07 -0.04 2.09 2.07 2ezvA1 GLU 263 HB3 0.02 -0.06 0.05 -0.04 1.99 1.96 2ezvA1 GLU 263 HG2 -0.07 0.04 0.03 -0.04 2.34 2.30 2ezvA1 GLU 263 HG3 -0.10 0.19 0.02 -0.04 2.34 2.41 2ezvA1 PHE 264 H -0.37 0.58 0.30 -0.55 8.34 8.30 2ezvA1 PHE 264 HA 0.04 0.12 0.88 -0.75 4.62 4.90 2ezvA1 PHE 264 HB2 0.01 -0.01 0.06 -0.04 3.15 3.16 2ezvA1 PHE 264 HB3 0.04 -0.00 -0.19 -0.04 3.06 2.87 2ezvA1 PHE 264 HD2 0.12 0.16 -0.36 -0.04 7.28 7.15 2ezvA1 PHE 264 HE2 0.10 0.05 -0.34 -0.04 7.38 7.15 2ezvA1 PHE 264 HZ 0.01 0.04 -0.17 -0.04 7.32 7.16 2ezvA1 LEU 265 H 0.20 0.10 0.14 -0.55 8.37 8.25 2ezvA1 LEU 265 HA -0.02 0.09 0.63 -0.75 4.35 4.30 2ezvA1 LEU 265 HB2 0.05 -0.01 0.08 -0.04 1.64 1.72 2ezvA1 LEU 265 HB3 -0.04 0.04 0.03 -0.04 1.64 1.63 2ezvA1 LEU 265 HG 0.04 -0.03 0.04 -0.04 1.64 1.65 2ezvA1 LEU 265 HD13 -0.01 -0.00 0.00 -0.04 0.93 0.88 2ezvA1 LEU 265 HD23 -0.05 0.01 -0.05 -0.04 0.89 0.76 2ezvA1 PHE 266 H -0.30 0.22 0.23 -0.55 8.34 7.93 2ezvA1 PHE 266 HA 0.09 0.15 0.78 -0.75 4.62 4.89 2ezvA1 PHE 266 HB2 0.08 0.03 0.06 -0.04 3.15 3.28 2ezvA1 PHE 266 HB3 0.12 0.05 -0.21 -0.04 3.06 2.98 2ezvA1 PHE 266 HD2 -0.18 0.18 -0.14 -0.04 7.28 7.10 2ezvA1 PHE 266 HE2 -0.75 -0.01 -0.04 -0.04 7.38 6.55 2ezvA1 PHE 266 HZ -0.56 -0.08 -0.02 -0.04 7.32 6.62 2ezvA1 LEU 267 H 0.21 0.18 0.13 -0.55 8.37 8.35 2ezvA1 LEU 267 HA -0.07 0.16 0.86 -0.75 4.35 4.55 2ezvA1 LEU 267 HB2 0.08 0.07 0.08 -0.04 1.64 1.83 2ezvA1 LEU 267 HB3 0.05 -0.13 0.06 -0.04 1.64 1.58 2ezvA1 LEU 267 HG -0.01 -0.02 0.02 -0.04 1.64 1.60 2ezvA1 LEU 267 HD13 -0.01 0.04 -0.30 -0.04 0.93 0.62 2ezvA1 LEU 267 HD23 0.02 0.02 -0.01 -0.04 0.89 0.88 2ezvA1 GLU 268 H 0.01 0.10 0.16 -0.55 8.60 8.32 2ezvA1 GLU 268 HA 0.15 0.13 0.43 -0.75 4.29 4.24 2ezvA1 ARG 269 H 0.09 0.02 -0.17 -0.55 8.46 7.85 2ezvA1 ARG 269 HA 0.10 0.05 0.10 -0.75 4.34 3.83