============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TYR 1 0.840 34.985 16.425 55.770 -99.200 -91.000 HIS 4 0.900 32.820 19.569 51.047 -99.200 -91.000 TRP 10 1.040 22.853 31.008 50.282 -99.200 -91.000 TRP6 10 1.020 20.775 31.422 49.223 -99.200 -91.000 TRP 13 1.040 18.158 38.699 56.851 -99.200 -91.000 TRP6 13 1.020 18.475 40.994 57.378 -99.200 -91.000 PHE 14 1.000 14.101 34.866 65.842 -99.200 -91.000 PHE 15 1.000 8.946 40.412 62.837 -99.200 -91.000 TRP 23 1.040 7.272 42.927 59.459 -99.200 -91.000 TRP6 23 1.020 8.851 42.847 57.693 -99.200 -91.000 PHE 33 1.000 24.624 29.990 55.367 -99.200 -91.000 PHE 39 1.000 22.300 25.035 56.421 -99.200 -91.000 TRP 40 1.040 25.107 20.878 57.437 -99.200 -91.000 TRP6 40 1.020 22.813 20.454 57.902 -99.200 -91.000 TYR 43 0.840 18.908 23.426 60.766 -99.200 -91.000 HIS 45 0.900 25.072 28.508 66.271 -99.200 -91.000 TYR 58 0.840 14.994 30.770 62.675 -99.200 -91.000 PHE 61 1.000 14.780 36.614 51.412 -99.200 -91.000 TRP 69 1.040 6.267 45.110 50.133 -99.200 -91.000 TRP6 69 1.020 4.641 44.754 51.862 -99.200 -91.000 TRP 80 1.040 6.714 28.836 43.153 -99.200 -91.000 TRP6 80 1.020 4.690 28.042 42.203 -99.200 -91.000 PHE 96 1.000 6.911 19.427 54.212 -99.200 -91.000 TRP 97 1.040 13.582 26.900 58.151 -99.200 -91.000 TRP6 97 1.020 13.319 28.536 56.448 -99.200 -91.000 PHE 109 1.000 14.641 25.540 43.545 -99.200 -91.000 TYR 112 0.840 14.840 28.458 34.370 -99.200 -91.000 TRP 133 1.040 9.747 35.636 49.931 -99.200 -91.000 TRP6 133 1.020 9.787 37.914 50.643 -99.200 -91.000 HIS 145 0.900 13.491 23.999 36.534 -99.200 -91.000 TYR 150 0.840 9.521 24.628 48.186 -99.200 -91.000 TYR 164 0.840 5.758 33.396 42.002 -99.200 -91.000 HIS 167 0.900 7.358 39.175 47.069 -99.200 -91.000 PHE 177 1.000 3.718 32.127 36.809 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2v8yE1 TYR 34 HA 0.01 -0.08 0.21 -0.75 4.56 3.95 2v8yE1 TYR 34 HB2 0.02 -0.01 0.04 -0.04 3.06 3.06 2v8yE1 TYR 34 HB3 0.03 -0.04 -0.06 -0.04 2.98 2.87 2v8yE1 TYR 34 HD2 0.03 0.06 -0.02 -0.04 7.15 7.18 2v8yE1 TYR 34 HE2 0.24 0.02 0.00 -0.04 6.85 7.06 2v8yE1 ILE 35 H 0.21 0.12 0.11 -0.55 8.25 8.14 2v8yE1 ILE 35 HA 0.06 0.13 0.84 -0.75 4.18 4.46 2v8yE1 ILE 35 HB -0.09 0.01 0.00 -0.04 1.89 1.77 2v8yE1 ILE 35 HG12 -0.00 -0.06 0.04 -0.04 1.49 1.43 2v8yE1 ILE 35 HG13 -0.02 0.00 0.01 -0.04 1.21 1.16 2v8yE1 ILE 35 HG23 -0.02 0.03 0.05 -0.04 0.93 0.95 2v8yE1 ILE 35 HD13 0.02 0.04 -0.18 -0.04 0.88 0.71 2v8yE1 LYS 36 H 0.02 0.12 0.14 -0.55 8.42 8.15 2v8yE1 LYS 36 HA 0.06 0.04 0.56 -0.75 4.32 4.22 2v8yE1 LYS 36 HB2 0.04 0.05 0.04 -0.04 1.87 1.96 2v8yE1 LYS 36 HB3 0.08 -0.17 0.07 -0.04 1.79 1.72 2v8yE1 LYS 36 HG2 0.03 0.02 -0.02 -0.04 1.46 1.46 2v8yE1 LYS 36 HG3 0.03 0.08 0.07 -0.04 1.46 1.60 2v8yE1 LYS 36 HD2 0.05 0.04 -0.01 -0.04 1.69 1.73 2v8yE1 LYS 36 HD3 0.06 -0.16 -0.03 -0.04 1.68 1.51 2v8yE1 LYS 36 HE2 0.03 0.01 -0.06 -0.04 2.99 2.93 2v8yE1 LYS 36 HE3 0.03 0.08 -0.02 -0.04 2.99 3.04 2v8yE1 HIS 37 H 0.22 -0.04 0.22 -0.55 8.41 8.27 2v8yE1 HIS 37 HA 0.07 0.28 0.87 -0.75 4.63 5.10 2v8yE1 HIS 37 HB2 0.08 -0.19 0.20 -0.04 3.26 3.31 2v8yE1 HIS 37 HB3 0.07 0.15 0.07 -0.04 3.20 3.44 2v8yE1 HIS 37 HD2 0.07 0.03 0.01 -0.04 6.97 7.05 2v8yE1 HIS 37 HE1 0.54 -0.01 0.02 -0.04 7.75 8.26 2v8yE1 PRO 38 HA 0.10 0.08 0.67 -0.51 4.44 4.78 2v8yE1 PRO 38 HB2 0.06 0.16 0.01 -0.04 2.28 2.47 2v8yE1 PRO 38 HB3 0.05 -0.01 0.12 -0.04 2.02 2.14 2v8yE1 PRO 38 HG2 0.07 0.03 0.08 -0.04 2.03 2.16 2v8yE1 PRO 38 HG3 0.04 0.04 0.08 -0.04 2.03 2.15 2v8yE1 PRO 38 HD2 0.08 0.07 0.27 -0.04 3.68 4.07 2v8yE1 PRO 38 HD3 0.03 0.23 0.20 -0.04 3.65 4.06 2v8yE1 LEU 39 H 0.12 0.55 0.20 -0.55 8.37 8.69 2v8yE1 LEU 39 HA 0.10 0.16 0.82 -0.75 4.35 4.68 2v8yE1 LEU 39 HB2 0.20 0.06 -0.02 -0.04 1.64 1.84 2v8yE1 LEU 39 HB3 0.26 0.01 0.10 -0.04 1.64 1.98 2v8yE1 LEU 39 HG 0.17 -0.23 -0.44 -0.04 1.64 1.10 2v8yE1 LEU 39 HD13 0.38 -0.02 -0.17 -0.04 0.93 1.07 2v8yE1 LEU 39 HD23 0.04 0.08 -0.09 -0.04 0.89 0.88 2v8yE1 GLN 40 H 0.11 0.21 0.14 -0.55 8.47 8.39 2v8yE1 GLN 40 HA 0.04 0.07 0.48 -0.75 4.36 4.19 2v8yE1 GLN 40 HB2 0.05 0.02 0.09 -0.04 2.15 2.27 2v8yE1 GLN 40 HB3 0.10 0.01 0.09 -0.04 2.02 2.18 2v8yE1 GLN 40 HG2 0.04 -0.01 -0.06 -0.04 2.40 2.33 2v8yE1 GLN 40 HG3 0.01 0.01 -0.24 -0.04 2.39 2.13 2v8yE1 GLN 40 HE21 0.00 -0.03 0.01 -0.04 6.97 6.91 2v8yE1 GLN 40 HE22 0.00 -0.00 -0.02 -0.04 7.69 7.63 2v8yE1 ASN 41 H 0.13 0.11 -0.02 -0.55 8.53 8.20 2v8yE1 ASN 41 HA -0.16 0.20 0.89 -0.75 4.76 4.94 2v8yE1 ASN 41 HB2 -0.56 -0.02 -0.03 -0.04 2.88 2.23 2v8yE1 ASN 41 HB3 -0.79 0.07 0.05 -0.04 2.79 2.09 2v8yE1 ASN 41 HD21 -0.13 -0.01 -0.00 -0.04 7.03 6.85 2v8yE1 ASN 41 HD22 -0.23 -0.03 0.11 -0.04 7.74 7.55 2v8yE1 ARG 42 H -0.26 0.16 0.18 -0.55 8.46 7.99 2v8yE1 ARG 42 HA -0.09 0.19 0.88 -0.75 4.34 4.56 2v8yE1 ARG 42 HB2 -0.08 0.02 0.08 -0.04 1.90 1.88 2v8yE1 ARG 42 HB3 -0.15 -0.04 0.16 -0.04 1.80 1.73 2v8yE1 ARG 42 HG2 -0.09 -0.03 -0.15 -0.04 1.67 1.36 2v8yE1 ARG 42 HG3 -0.07 0.06 -0.10 -0.04 1.67 1.52 2v8yE1 ARG 42 HD2 -0.01 -0.01 -0.08 -0.04 3.22 3.07 2v8yE1 ARG 42 HD3 -0.04 0.01 -0.03 -0.04 3.22 3.12 2v8yE1 TRP 43 H -0.28 0.64 0.40 -0.55 7.97 8.19 2v8yE1 TRP 43 HA -0.15 0.20 0.97 -0.75 4.62 4.88 2v8yE1 TRP 43 HB2 -1.30 -0.04 0.02 -0.04 3.23 1.87 2v8yE1 TRP 43 HB3 -0.28 0.03 -0.09 -0.04 3.23 2.85 2v8yE1 TRP 43 HD1 -0.14 0.07 -0.10 -0.04 7.22 7.01 2v8yE1 TRP 43 HE1 -0.05 -0.00 -0.10 -0.04 10.20 10.00 2v8yE1 TRP 43 HE3 -0.04 -0.00 -0.57 -0.04 7.59 6.94 2v8yE1 TRP 43 HZ2 -0.04 0.14 -0.17 -0.04 7.44 7.33 2v8yE1 TRP 43 HZ3 -0.13 0.05 -0.17 -0.04 7.13 6.84 2v8yE1 TRP 43 HH2 -0.03 0.04 -0.15 -0.04 7.19 7.00 2v8yE1 ALA 44 H 0.26 0.68 0.30 -0.55 8.40 9.10 2v8yE1 ALA 44 HA -0.01 0.21 1.06 -0.75 4.34 4.85 2v8yE1 ALA 44 HB3 0.09 0.00 0.01 -0.04 1.41 1.47 2v8yE1 LEU 45 H 0.09 0.60 0.39 -0.55 8.37 8.90 2v8yE1 LEU 45 HA 0.41 0.30 1.21 -0.75 4.35 5.52 2v8yE1 LEU 45 HB2 0.34 -0.03 0.08 -0.04 1.64 1.99 2v8yE1 LEU 45 HB3 0.19 -0.06 0.22 -0.04 1.64 1.95 2v8yE1 LEU 45 HG 0.36 0.06 -0.16 -0.04 1.64 1.85 2v8yE1 LEU 45 HD13 0.39 0.05 -0.01 -0.04 0.93 1.31 2v8yE1 LEU 45 HD23 0.04 -0.01 -0.05 -0.04 0.89 0.83 2v8yE1 TRP 46 H 0.62 0.71 0.49 -0.55 7.97 9.24 2v8yE1 TRP 46 HA 0.17 0.15 1.09 -0.75 4.62 5.28 2v8yE1 TRP 46 HB2 0.12 -0.07 0.09 -0.04 3.23 3.33 2v8yE1 TRP 46 HB3 0.04 0.05 -0.05 -0.04 3.23 3.22 2v8yE1 TRP 46 HD1 0.20 0.15 -0.12 -0.04 7.22 7.41 2v8yE1 TRP 46 HE1 0.09 0.08 -0.08 -0.04 10.20 10.24 2v8yE1 TRP 46 HE3 -0.04 0.04 -0.45 -0.04 7.59 7.10 2v8yE1 TRP 46 HZ2 0.00 -0.01 -0.11 -0.04 7.44 7.28 2v8yE1 TRP 46 HZ3 -0.05 0.10 -0.18 -0.04 7.13 6.96 2v8yE1 TRP 46 HH2 -0.02 -0.01 -0.08 -0.04 7.19 7.04 2v8yE1 PHE 47 H 0.36 0.75 0.43 -0.55 8.34 9.33 2v8yE1 PHE 47 HA 0.08 0.27 1.09 -0.75 4.62 5.31 2v8yE1 PHE 47 HB2 0.16 -0.04 -0.02 -0.04 3.15 3.21 2v8yE1 PHE 47 HB3 0.04 -0.00 0.12 -0.04 3.06 3.18 2v8yE1 PHE 47 HD2 -0.37 0.04 0.06 -0.04 7.28 6.97 2v8yE1 PHE 47 HE2 -0.28 -0.05 -0.03 -0.04 7.38 6.97 2v8yE1 PHE 47 HZ -0.12 -0.07 0.03 -0.04 7.32 7.12 2v8yE1 PHE 48 H -0.44 0.58 0.35 -0.55 8.34 8.28 2v8yE1 PHE 48 HA -0.42 0.45 0.96 -0.75 4.62 4.85 2v8yE1 PHE 48 HB2 -0.34 -0.05 -0.03 -0.04 3.15 2.69 2v8yE1 PHE 48 HB3 -0.35 -0.16 0.23 -0.04 3.06 2.74 2v8yE1 PHE 48 HD2 -0.57 -0.02 -0.25 -0.04 7.28 6.40 2v8yE1 PHE 48 HE2 -0.81 0.01 -0.05 -0.04 7.38 6.49 2v8yE1 PHE 48 HZ -0.12 -0.08 -0.04 -0.04 7.32 7.04 2v8yE1 LYS 49 H -0.74 0.46 0.20 -0.55 8.42 7.78 2v8yE1 LYS 49 HA -0.47 0.10 1.03 -0.75 4.32 4.22 2v8yE1 LYS 49 HB2 -0.16 -0.02 -0.00 -0.04 1.87 1.64 2v8yE1 LYS 49 HB3 -0.22 0.03 0.07 -0.04 1.79 1.62 2v8yE1 LYS 49 HG2 -0.02 0.00 -0.04 -0.04 1.46 1.36 2v8yE1 LYS 49 HG3 -0.06 0.02 0.04 -0.04 1.46 1.42 2v8yE1 LYS 49 HD2 0.32 -0.01 0.06 -0.04 1.69 2.02 2v8yE1 LYS 49 HD3 0.30 -0.01 0.01 -0.04 1.68 1.94 2v8yE1 LYS 49 HE2 0.08 -0.03 0.06 -0.04 2.99 3.06 2v8yE1 LYS 49 HE3 0.10 -0.02 0.03 -0.04 2.99 3.06 2v8yE1 ASN 50 H -0.08 0.11 -0.02 -0.55 8.53 7.99 2v8yE1 ASN 50 HA 0.06 0.04 0.41 -0.75 4.76 4.52 2v8yE1 ASN 50 HB2 0.04 0.00 -0.06 -0.04 2.88 2.82 2v8yE1 ASN 50 HB3 0.01 -0.03 0.09 -0.04 2.79 2.82 2v8yE1 ASN 50 HD21 0.05 -0.09 0.00 -0.04 7.03 6.95 2v8yE1 ASN 50 HD22 0.03 0.11 0.07 -0.04 7.74 7.90 2v8yE1 ASP 51 H -0.07 0.22 0.10 -0.55 8.40 8.10 2v8yE1 ASP 51 HA -0.03 -0.01 0.30 -0.75 4.63 4.14 2v8yE1 ASP 51 HB2 -0.09 0.21 0.03 -0.04 2.71 2.82 2v8yE1 ASP 51 HB3 -0.13 0.03 0.11 -0.04 2.70 2.67 2v8yE1 LYS 52 H 0.00 0.16 0.10 -0.55 8.42 8.13 2v8yE1 LYS 52 HA 0.04 0.24 0.39 -0.75 4.32 4.23 2v8yE1 LYS 52 HB2 0.03 -0.03 0.10 -0.04 1.87 1.93 2v8yE1 LYS 52 HB3 0.02 0.02 0.04 -0.04 1.79 1.83 2v8yE1 LYS 52 HG2 0.04 0.00 0.06 -0.04 1.46 1.52 2v8yE1 LYS 52 HG3 0.06 0.06 0.08 -0.04 1.46 1.63 2v8yE1 LYS 52 HD2 0.07 -0.00 0.00 -0.04 1.69 1.72 2v8yE1 LYS 52 HD3 0.06 -0.02 0.00 -0.04 1.68 1.69 2v8yE1 LYS 52 HE2 0.04 -0.00 -0.00 -0.04 2.99 2.98 2v8yE1 LYS 52 HE3 0.03 -0.00 0.00 -0.04 2.99 2.98 2v8yE1 SER 53 H -0.01 0.01 -0.30 -0.55 8.46 7.62 2v8yE1 SER 53 HA 0.00 0.09 0.60 -0.75 4.49 4.43 2v8yE1 SER 53 HB2 -0.01 0.01 0.07 -0.04 3.95 3.98 2v8yE1 SER 53 HB3 -0.01 -0.04 0.06 -0.04 3.93 3.90 2v8yE1 LYS 54 H -0.03 0.30 -0.17 -0.55 8.42 7.96 2v8yE1 LYS 54 HA -0.01 0.14 0.87 -0.75 4.32 4.56 2v8yE1 LYS 54 HB2 -0.10 0.13 -0.02 -0.04 1.87 1.83 2v8yE1 LYS 54 HB3 -0.06 -0.07 0.00 -0.04 1.79 1.63 2v8yE1 LYS 54 HG2 -0.06 0.03 -0.06 -0.04 1.46 1.33 2v8yE1 LYS 54 HG3 -0.04 0.00 -0.21 -0.04 1.46 1.17 2v8yE1 LYS 54 HD2 -0.05 -0.15 -0.11 -0.04 1.69 1.33 2v8yE1 LYS 54 HD3 -0.11 0.11 -0.04 -0.04 1.68 1.61 2v8yE1 LYS 54 HE2 -0.08 0.07 -0.04 -0.04 2.99 2.91 2v8yE1 LYS 54 HE3 -0.05 -0.02 -0.06 -0.04 2.99 2.83 2v8yE1 THR 55 H 0.01 0.07 0.10 -0.55 8.28 7.90 2v8yE1 THR 55 HA 0.08 0.17 0.53 -0.75 4.39 4.42 2v8yE1 THR 55 HB 0.09 -0.08 0.14 -0.04 4.32 4.43 2v8yE1 THR 55 HG23 0.03 0.04 0.05 -0.04 1.22 1.30 2v8yE1 TRP 56 H 0.28 0.13 0.14 -0.55 7.97 7.98 2v8yE1 TRP 56 HA 0.25 0.17 0.35 -0.75 4.62 4.64 2v8yE1 TRP 56 HB2 0.03 0.05 0.12 -0.04 3.23 3.39 2v8yE1 TRP 56 HB3 -0.04 -0.08 0.13 -0.04 3.23 3.20 2v8yE1 TRP 56 HD1 -0.06 0.03 -0.01 -0.04 7.22 7.13 2v8yE1 TRP 56 HE1 -0.62 0.03 -0.06 -0.04 10.20 9.51 2v8yE1 TRP 56 HE3 -0.15 -0.08 -0.19 -0.04 7.59 7.12 2v8yE1 TRP 56 HZ2 -0.24 0.03 -0.06 -0.04 7.44 7.12 2v8yE1 TRP 56 HZ3 -0.28 -0.05 -0.10 -0.04 7.13 6.66 2v8yE1 TRP 56 HH2 -0.25 0.23 0.02 -0.04 7.19 7.15 2v8yE1 GLN 57 H 0.32 0.07 -0.01 -0.55 8.47 8.30 2v8yE1 GLN 57 HA -0.01 0.08 0.40 -0.75 4.36 4.07 2v8yE1 GLN 57 HB2 0.09 -0.07 0.06 -0.04 2.15 2.19 2v8yE1 GLN 57 HB3 0.02 0.08 -0.14 -0.04 2.02 1.94 2v8yE1 GLN 57 HG2 0.03 0.03 -0.01 -0.04 2.40 2.40 2v8yE1 GLN 57 HG3 0.05 0.04 0.03 -0.04 2.39 2.46 2v8yE1 GLN 57 HE21 0.04 0.02 0.01 -0.04 6.97 7.01 2v8yE1 GLN 57 HE22 0.13 -0.04 0.06 -0.04 7.69 7.80 2v8yE1 ALA 58 H -0.03 0.03 -0.54 -0.55 8.40 7.31 2v8yE1 ALA 58 HA -0.07 0.15 0.53 -0.75 4.34 4.20 2v8yE1 ALA 58 HB3 -0.05 -0.01 0.04 -0.04 1.41 1.35 2v8yE1 ASN 59 H -0.31 0.42 -0.23 -0.55 8.53 7.87 2v8yE1 ASN 59 HA -0.40 0.11 0.75 -0.75 4.76 4.47 2v8yE1 ASN 59 HB2 -1.11 0.04 0.12 -0.04 2.88 1.88 2v8yE1 ASN 59 HB3 -1.74 -0.04 0.18 -0.04 2.79 1.15 2v8yE1 ASN 59 HD21 -0.13 0.33 0.06 -0.04 7.03 7.26 2v8yE1 ASN 59 HD22 -0.15 -0.07 -0.18 -0.04 7.74 7.30 2v8yE1 LEU 60 H -0.29 0.22 -0.41 -0.55 8.37 7.35 2v8yE1 LEU 60 HA -0.13 0.14 0.65 -0.75 4.35 4.27 2v8yE1 LEU 60 HB2 -0.48 0.02 0.03 -0.04 1.64 1.17 2v8yE1 LEU 60 HB3 -0.15 0.09 0.14 -0.04 1.64 1.68 2v8yE1 LEU 60 HG -0.15 -0.05 -0.16 -0.04 1.64 1.24 2v8yE1 LEU 60 HD13 -0.12 0.01 -0.16 -0.04 0.93 0.62 2v8yE1 LEU 60 HD23 -0.68 -0.01 -0.12 -0.04 0.89 0.04 2v8yE1 ARG 61 H 0.12 0.70 0.40 -0.55 8.46 9.13 2v8yE1 ARG 61 HA 0.09 0.16 0.96 -0.75 4.34 4.80 2v8yE1 ARG 61 HB2 0.07 -0.04 0.03 -0.04 1.90 1.92 2v8yE1 ARG 61 HB3 0.00 0.02 0.01 -0.04 1.80 1.79 2v8yE1 ARG 61 HG2 -0.07 0.06 -0.36 -0.04 1.67 1.27 2v8yE1 ARG 61 HG3 -0.01 -0.04 -0.08 -0.04 1.67 1.49 2v8yE1 ARG 61 HD2 -0.00 0.22 -0.09 -0.04 3.22 3.31 2v8yE1 ARG 61 HD3 -0.06 0.07 -0.14 -0.04 3.22 3.06 2v8yE1 LEU 62 H -0.25 0.17 0.13 -0.55 8.37 7.88 2v8yE1 LEU 62 HA -1.00 0.09 0.69 -0.75 4.35 3.37 2v8yE1 LEU 62 HB2 -2.18 -0.02 0.01 -0.04 1.64 -0.60 2v8yE1 LEU 62 HB3 -0.58 0.00 0.14 -0.04 1.64 1.16 2v8yE1 LEU 62 HG -0.41 0.02 -0.23 -0.04 1.64 0.99 2v8yE1 LEU 62 HD13 -0.77 0.00 -0.13 -0.04 0.93 -0.00 2v8yE1 LEU 62 HD23 -0.44 -0.01 -0.07 -0.04 0.89 0.33 2v8yE1 ILE 63 H -0.17 0.59 0.46 -0.55 8.25 8.57 2v8yE1 ILE 63 HA -0.03 0.06 0.63 -0.75 4.18 4.09 2v8yE1 ILE 63 HB 0.06 0.03 0.21 -0.04 1.89 2.15 2v8yE1 ILE 63 HG12 0.09 -0.00 -0.02 -0.04 1.49 1.52 2v8yE1 ILE 63 HG13 0.15 -0.00 0.02 -0.04 1.21 1.34 2v8yE1 ILE 63 HG23 0.05 -0.01 -0.06 -0.04 0.93 0.86 2v8yE1 ILE 63 HD13 0.23 -0.01 -0.10 -0.04 0.88 0.95 2v8yE1 SER 64 H -0.07 0.32 0.30 -0.55 8.46 8.47 2v8yE1 SER 64 HA -0.02 0.12 0.81 -0.75 4.49 4.65 2v8yE1 SER 64 HB2 0.06 0.01 -0.55 -0.04 3.95 3.43 2v8yE1 SER 64 HB3 0.12 -0.04 -0.13 -0.04 3.93 3.84 2v8yE1 LYS 65 H 0.04 0.20 0.23 -0.55 8.42 8.33 2v8yE1 LYS 65 HA -0.03 0.31 1.18 -0.75 4.32 5.02 2v8yE1 LYS 65 HB2 -0.00 -0.04 0.09 -0.04 1.87 1.88 2v8yE1 LYS 65 HB3 -0.03 0.01 0.03 -0.04 1.79 1.76 2v8yE1 LYS 65 HG2 -0.05 0.06 -0.04 -0.04 1.46 1.39 2v8yE1 LYS 65 HG3 -0.07 -0.07 -0.20 -0.04 1.46 1.08 2v8yE1 LYS 65 HD2 -0.03 0.00 -0.04 -0.04 1.69 1.59 2v8yE1 LYS 65 HD3 -0.03 -0.01 -0.07 -0.04 1.68 1.53 2v8yE1 LYS 65 HE2 -0.05 -0.00 -0.07 -0.04 2.99 2.82 2v8yE1 LYS 65 HE3 -0.06 0.02 -0.06 -0.04 2.99 2.85 2v8yE1 PHE 66 H -0.34 0.62 0.40 -0.55 8.34 8.47 2v8yE1 PHE 66 HA 0.07 0.10 0.69 -0.75 4.62 4.73 2v8yE1 PHE 66 HB2 0.10 -0.19 -0.05 -0.04 3.15 2.96 2v8yE1 PHE 66 HB3 0.08 0.17 -0.26 -0.04 3.06 3.00 2v8yE1 PHE 66 HD2 0.12 0.01 -0.29 -0.04 7.28 7.08 2v8yE1 PHE 66 HE2 0.01 0.03 -0.11 -0.04 7.38 7.27 2v8yE1 PHE 66 HZ -0.10 0.02 -0.09 -0.04 7.32 7.11 2v8yE1 ASP 67 H 0.24 0.07 0.16 -0.55 8.40 8.32 2v8yE1 ASP 67 HA 0.21 0.26 0.74 -0.75 4.63 5.10 2v8yE1 ASP 67 HB2 0.06 0.11 0.11 -0.04 2.71 2.95 2v8yE1 ASP 67 HB3 0.03 -0.01 -0.07 -0.04 2.70 2.61 2v8yE1 THR 68 H 0.29 0.12 0.21 -0.55 8.28 8.35 2v8yE1 THR 68 HA 0.15 0.28 0.80 -0.75 4.39 4.86 2v8yE1 THR 68 HB 0.12 0.05 0.02 -0.04 4.32 4.47 2v8yE1 THR 68 HG23 0.09 0.03 -0.18 -0.04 1.22 1.11 2v8yE1 VAL 69 H 0.15 0.75 0.26 -0.55 8.24 8.85 2v8yE1 VAL 69 HA -0.01 0.11 0.39 -0.75 4.13 3.86 2v8yE1 VAL 69 HB 0.17 -0.08 0.16 -0.04 2.12 2.32 2v8yE1 VAL 69 HG13 0.15 0.01 -0.08 -0.04 0.97 1.01 2v8yE1 VAL 69 HG23 0.05 0.08 0.00 -0.04 0.95 1.04 2v8yE1 GLU 70 H 0.15 0.08 -0.02 -0.55 8.60 8.27 2v8yE1 GLU 70 HA 0.24 0.13 0.50 -0.75 4.29 4.41 2v8yE1 GLU 70 HB2 0.08 -0.05 0.06 -0.04 2.09 2.14 2v8yE1 GLU 70 HB3 0.05 0.09 0.01 -0.04 1.99 2.09 2v8yE1 GLU 70 HG2 -0.06 0.12 -0.04 -0.04 2.34 2.32 2v8yE1 GLU 70 HG3 0.06 0.05 0.00 -0.04 2.34 2.41 2v8yE1 ASP 71 H 0.09 0.07 -0.30 -0.55 8.40 7.72 2v8yE1 ASP 71 HA 0.04 0.15 0.63 -0.75 4.63 4.69 2v8yE1 ASP 71 HB2 0.18 -0.13 0.12 -0.04 2.71 2.85 2v8yE1 ASP 71 HB3 0.14 0.11 0.08 -0.04 2.70 2.99 2v8yE1 PHE 72 H -0.10 0.35 -0.16 -0.55 8.34 7.89 2v8yE1 PHE 72 HA -1.42 0.07 0.57 -0.75 4.62 3.08 2v8yE1 PHE 72 HB2 -1.19 -0.01 0.06 -0.04 3.15 1.97 2v8yE1 PHE 72 HB3 -0.65 0.20 0.19 -0.04 3.06 2.75 2v8yE1 PHE 72 HD2 -1.41 0.03 -0.05 -0.04 7.28 5.80 2v8yE1 PHE 72 HE2 -1.66 0.01 -0.08 -0.04 7.38 5.61 2v8yE1 PHE 72 HZ -1.08 0.01 -0.07 -0.04 7.32 6.15 2v8yE1 TRP 73 H -0.13 0.46 -0.07 -0.55 7.97 7.69 2v8yE1 TRP 73 HA -0.61 0.02 0.45 -0.75 4.62 3.73 2v8yE1 TRP 73 HB2 -0.10 0.05 0.14 -0.04 3.23 3.28 2v8yE1 TRP 73 HB3 -0.12 0.01 -0.03 -0.04 3.23 3.04 2v8yE1 TRP 73 HD1 -0.00 -0.05 -0.12 -0.04 7.22 7.01 2v8yE1 TRP 73 HE1 -0.00 -0.01 -0.04 -0.04 10.20 10.10 2v8yE1 TRP 73 HE3 -0.22 -0.05 0.01 -0.04 7.59 7.30 2v8yE1 TRP 73 HZ2 -0.04 0.01 -0.04 -0.04 7.44 7.33 2v8yE1 TRP 73 HZ3 -0.41 0.01 -0.06 -0.04 7.13 6.63 2v8yE1 TRP 73 HH2 -0.13 0.00 -0.05 -0.04 7.19 6.97 2v8yE1 ALA 74 H 0.03 0.53 -0.14 -0.55 8.40 8.28 2v8yE1 ALA 74 HA 0.06 0.02 0.40 -0.75 4.34 4.07 2v8yE1 ALA 74 HB3 0.05 0.01 0.10 -0.04 1.41 1.53 2v8yE1 LEU 75 H -0.22 0.33 -0.43 -0.55 8.37 7.51 2v8yE1 LEU 75 HA -0.54 0.07 0.58 -0.75 4.35 3.71 2v8yE1 LEU 75 HB2 -0.07 0.00 0.04 -0.04 1.64 1.57 2v8yE1 LEU 75 HB3 -0.34 0.12 0.14 -0.04 1.64 1.53 2v8yE1 LEU 75 HG -0.20 -0.00 -0.24 -0.04 1.64 1.15 2v8yE1 LEU 75 HD13 -0.07 -0.01 -0.04 -0.04 0.93 0.77 2v8yE1 LEU 75 HD23 0.14 -0.02 -0.08 -0.04 0.89 0.89 2v8yE1 TYR 76 H -0.50 0.62 0.07 -0.55 8.29 7.92 2v8yE1 TYR 76 HA -0.36 -0.00 0.40 -0.75 4.56 3.84 2v8yE1 TYR 76 HB2 -1.21 0.00 0.08 -0.04 3.06 1.89 2v8yE1 TYR 76 HB3 -0.54 0.00 0.12 -0.04 2.98 2.52 2v8yE1 TYR 76 HD2 -0.01 0.01 -0.13 -0.04 7.15 6.98 2v8yE1 TYR 76 HE2 0.11 -0.04 -0.06 -0.04 6.85 6.82 2v8yE1 ASN 77 H -0.00 0.68 -0.13 -0.55 8.53 8.53 2v8yE1 ASN 77 HA 0.01 -0.04 0.36 -0.75 4.76 4.34 2v8yE1 ASN 77 HB2 0.04 0.12 0.02 -0.04 2.88 3.02 2v8yE1 ASN 77 HB3 0.02 -0.06 -0.04 -0.04 2.79 2.67 2v8yE1 ASN 77 HD21 -0.03 -0.10 -0.11 -0.04 7.03 6.75 2v8yE1 ASN 77 HD22 0.02 -0.01 -0.10 -0.04 7.74 7.61 2v8yE1 HIS 78 H -0.35 0.29 -0.44 -0.55 8.41 7.37 2v8yE1 HIS 78 HA -0.06 0.20 0.97 -0.75 4.63 4.99 2v8yE1 HIS 78 HB2 -0.05 -0.07 0.10 -0.04 3.26 3.20 2v8yE1 HIS 78 HB3 -0.04 -0.05 -0.03 -0.04 3.20 3.04 2v8yE1 HIS 78 HD2 -0.05 -0.06 -0.19 -0.04 6.97 6.62 2v8yE1 HIS 78 HE1 -0.03 -0.11 -0.10 -0.04 7.75 7.46 2v8yE1 ILE 79 H -0.35 0.31 -0.03 -0.55 8.25 7.64 2v8yE1 ILE 79 HA -0.04 0.11 0.77 -0.75 4.18 4.27 2v8yE1 ILE 79 HB -0.04 -0.08 0.08 -0.04 1.89 1.82 2v8yE1 ILE 79 HG12 -0.39 0.15 0.08 -0.04 1.49 1.29 2v8yE1 ILE 79 HG13 -0.30 0.12 -0.24 -0.04 1.21 0.74 2v8yE1 ILE 79 HG23 -0.13 0.01 -0.02 -0.04 0.93 0.75 2v8yE1 ILE 79 HD13 -0.32 -0.04 -0.08 -0.04 0.88 0.39 2v8yE1 GLN 80 H -0.03 0.06 0.12 -0.55 8.47 8.08 2v8yE1 GLN 80 HA -0.02 0.03 0.34 -0.75 4.36 3.96 2v8yE1 GLN 80 HB2 -0.04 0.01 0.13 -0.04 2.15 2.20 2v8yE1 GLN 80 HB3 0.01 -0.02 0.00 -0.04 2.02 1.98 2v8yE1 GLN 80 HG2 0.03 0.07 -0.09 -0.04 2.40 2.37 2v8yE1 GLN 80 HG3 0.00 -0.01 0.05 -0.04 2.39 2.39 2v8yE1 GLN 80 HE21 0.01 0.00 -0.04 -0.04 6.97 6.90 2v8yE1 GLN 80 HE22 0.02 -0.00 -0.08 -0.04 7.69 7.58 2v8yE1 LEU 81 H 0.01 0.10 0.15 -0.55 8.37 8.09 2v8yE1 LEU 81 HA 0.03 0.15 0.57 -0.75 4.35 4.34 2v8yE1 LEU 81 HB2 0.04 0.00 0.11 -0.04 1.64 1.75 2v8yE1 LEU 81 HB3 0.08 -0.19 0.02 -0.04 1.64 1.51 2v8yE1 LEU 81 HG -0.03 0.15 0.05 -0.04 1.64 1.77 2v8yE1 LEU 81 HD13 0.04 -0.00 0.00 -0.04 0.93 0.93 2v8yE1 LEU 81 HD23 0.03 0.01 0.02 -0.04 0.89 0.91 2v8yE1 SER 82 H 0.21 0.17 0.13 -0.55 8.46 8.42 2v8yE1 SER 82 HA 0.18 0.14 0.30 -0.75 4.49 4.35 2v8yE1 SER 82 HB2 0.16 -0.10 0.02 -0.04 3.95 3.98 2v8yE1 SER 82 HB3 0.03 0.04 -0.08 -0.04 3.93 3.88 2v8yE1 SER 83 H 0.10 0.00 -0.31 -0.55 8.46 7.71 2v8yE1 SER 83 HA 0.05 0.17 0.41 -0.75 4.49 4.36 2v8yE1 SER 83 HB2 0.04 0.11 0.13 -0.04 3.95 4.19 2v8yE1 SER 83 HB3 0.07 -0.18 0.06 -0.04 3.93 3.84 2v8yE1 ASN 84 H 0.06 0.42 -0.48 -0.55 8.53 7.98 2v8yE1 ASN 84 HA 0.03 0.20 0.86 -0.75 4.76 5.10 2v8yE1 ASN 84 HB2 0.04 0.04 0.04 -0.04 2.88 2.96 2v8yE1 ASN 84 HB3 0.02 -0.01 0.08 -0.04 2.79 2.85 2v8yE1 ASN 84 HD21 0.02 0.01 -0.02 -0.04 7.03 7.00 2v8yE1 ASN 84 HD22 0.02 -0.02 0.02 -0.04 7.74 7.72 2v8yE1 LEU 85 H 0.05 0.26 -0.15 -0.55 8.37 7.99 2v8yE1 LEU 85 HA 0.05 -0.01 0.39 -0.75 4.35 4.03 2v8yE1 LEU 85 HB2 0.04 0.06 0.02 -0.04 1.64 1.72 2v8yE1 LEU 85 HB3 0.07 0.01 0.02 -0.04 1.64 1.70 2v8yE1 LEU 85 HG 0.09 0.05 -0.06 -0.04 1.64 1.68 2v8yE1 LEU 85 HD13 -0.05 -0.01 -0.11 -0.04 0.93 0.72 2v8yE1 LEU 85 HD23 0.05 -0.01 -0.08 -0.04 0.89 0.81 2v8yE1 MET 86 H 0.05 0.04 0.16 -0.55 8.47 8.18 2v8yE1 MET 86 HA 0.03 0.17 0.56 -0.75 4.52 4.52 2v8yE1 MET 86 HB2 0.03 0.04 0.14 -0.04 2.15 2.31 2v8yE1 MET 86 HB3 0.03 -0.01 0.14 -0.04 2.03 2.15 2v8yE1 MET 86 HG2 0.04 -0.07 0.11 -0.04 2.63 2.67 2v8yE1 MET 86 HG3 0.03 0.07 -0.10 -0.04 2.56 2.52 2v8yE1 MET 86 HE3 0.02 0.02 0.03 -0.04 2.10 2.13 2v8yE1 PRO 87 HA 0.02 0.12 0.25 -0.51 4.44 4.32 2v8yE1 PRO 87 HB2 0.02 0.01 0.06 -0.04 2.28 2.33 2v8yE1 PRO 87 HB3 0.02 -0.18 0.04 -0.04 2.02 1.86 2v8yE1 PRO 87 HG2 0.02 0.02 0.05 -0.04 2.03 2.08 2v8yE1 PRO 87 HG3 0.02 0.11 -0.09 -0.04 2.03 2.03 2v8yE1 PRO 87 HD2 0.02 0.06 0.20 -0.04 3.68 3.92 2v8yE1 PRO 87 HD3 0.02 0.25 0.17 -0.04 3.65 4.05 2v8yE1 GLY 88 H 0.02 0.85 0.43 -0.55 8.43 9.19 2v8yE1 GLY 88 HA2 0.04 -0.06 0.39 -0.51 4.01 3.88 2v8yE1 GLY 88 HA3 0.06 0.08 0.81 -0.51 4.01 4.44 2v8yE1 CYS 89 H 0.01 0.41 0.02 -0.55 8.50 8.39 2v8yE1 CYS 89 HA -0.05 0.23 0.79 -0.75 4.58 4.80 2v8yE1 CYS 89 HB2 0.01 0.01 0.13 -0.04 2.97 3.08 2v8yE1 CYS 89 HB3 -0.09 0.05 0.19 -0.04 2.97 3.07 2v8yE1 ASP 90 H -0.23 0.43 0.46 -0.55 8.40 8.51 2v8yE1 ASP 90 HA -0.10 0.25 1.04 -0.75 4.63 5.07 2v8yE1 ASP 90 HB2 -0.05 -0.11 -0.04 -0.04 2.71 2.47 2v8yE1 ASP 90 HB3 -0.04 0.10 0.11 -0.04 2.70 2.83 2v8yE1 TYR 91 H -0.09 0.34 0.38 -0.55 8.29 8.37 2v8yE1 TYR 91 HA 0.28 0.36 0.93 -0.75 4.56 5.37 2v8yE1 TYR 91 HB2 -0.32 -0.10 0.17 -0.04 3.06 2.77 2v8yE1 TYR 91 HB3 0.43 0.01 0.04 -0.04 2.98 3.42 2v8yE1 TYR 91 HD2 0.12 0.04 0.05 -0.04 7.15 7.31 2v8yE1 TYR 91 HE2 -0.02 -0.01 -0.10 -0.04 6.85 6.67 2v8yE1 SER 92 H 0.53 0.56 0.36 -0.55 8.46 9.37 2v8yE1 SER 92 HA 0.45 0.30 1.04 -0.75 4.49 5.53 2v8yE1 SER 92 HB2 0.23 -0.06 0.05 -0.04 3.95 4.11 2v8yE1 SER 92 HB3 0.29 0.04 0.05 -0.04 3.93 4.27 2v8yE1 LEU 93 H 0.46 0.57 0.36 -0.55 8.37 9.21 2v8yE1 LEU 93 HA 0.49 0.32 1.21 -0.75 4.35 5.62 2v8yE1 LEU 93 HB2 0.22 -0.02 -0.00 -0.04 1.64 1.79 2v8yE1 LEU 93 HB3 -0.02 -0.05 0.16 -0.04 1.64 1.69 2v8yE1 LEU 93 HG 0.19 0.04 -0.25 -0.04 1.64 1.58 2v8yE1 LEU 93 HD13 0.35 0.04 -0.20 -0.04 0.93 1.08 2v8yE1 LEU 93 HD23 -0.57 -0.02 -0.05 -0.04 0.89 0.21 2v8yE1 PHE 94 H 0.62 0.56 0.33 -0.55 8.34 9.29 2v8yE1 PHE 94 HA 0.35 0.22 1.07 -0.75 4.62 5.50 2v8yE1 PHE 94 HB2 0.20 -0.05 -0.04 -0.04 3.15 3.22 2v8yE1 PHE 94 HB3 0.11 0.21 -0.07 -0.04 3.06 3.28 2v8yE1 PHE 94 HD2 0.03 -0.03 -0.41 -0.04 7.28 6.84 2v8yE1 PHE 94 HE2 -0.18 0.02 -0.28 -0.04 7.38 6.91 2v8yE1 PHE 94 HZ -2.00 -0.02 -0.29 -0.04 7.32 4.98 2v8yE1 LYS 95 H 0.01 0.58 0.28 -0.55 8.42 8.74 2v8yE1 LYS 95 HA -0.82 0.04 0.56 -0.75 4.32 3.36 2v8yE1 LYS 95 HB2 -0.15 -0.04 0.14 -0.04 1.87 1.78 2v8yE1 LYS 95 HB3 -0.40 0.02 0.13 -0.04 1.79 1.50 2v8yE1 LYS 95 HG2 -1.44 -0.07 0.03 -0.04 1.46 -0.07 2v8yE1 LYS 95 HG3 -0.47 0.08 0.07 -0.04 1.46 1.10 2v8yE1 LYS 95 HD2 -0.10 0.11 0.13 -0.04 1.69 1.79 2v8yE1 LYS 95 HD3 -0.24 -0.08 0.06 -0.04 1.68 1.38 2v8yE1 LYS 95 HE2 -0.28 -0.13 -0.01 -0.04 2.99 2.53 2v8yE1 LYS 95 HE3 -0.15 -0.07 -0.03 -0.04 2.99 2.71 2v8yE1 ASP 96 H -0.28 0.68 0.36 -0.55 8.40 8.62 2v8yE1 ASP 96 HA 0.05 -0.04 0.43 -0.75 4.63 4.32 2v8yE1 ASP 96 HB2 -0.11 -0.01 -0.09 -0.04 2.71 2.47 2v8yE1 ASP 96 HB3 -0.11 -0.01 0.13 -0.04 2.70 2.67 2v8yE1 GLY 97 H 0.12 0.10 0.10 -0.55 8.43 8.20 2v8yE1 GLY 97 HA2 0.07 -0.05 0.30 -0.51 4.01 3.83 2v8yE1 GLY 97 HA3 0.04 0.16 0.63 -0.51 4.01 4.32 2v8yE1 ILE 98 H 0.13 0.63 -0.22 -0.55 8.25 8.24 2v8yE1 ILE 98 HA 0.07 -0.00 0.86 -0.75 4.18 4.36 2v8yE1 ILE 98 HB 0.29 0.10 0.03 -0.04 1.89 2.27 2v8yE1 ILE 98 HG12 0.09 -0.06 -0.18 -0.04 1.49 1.31 2v8yE1 ILE 98 HG13 0.07 0.12 -0.23 -0.04 1.21 1.13 2v8yE1 ILE 98 HG23 0.25 -0.02 -0.15 -0.04 0.93 0.97 2v8yE1 ILE 98 HD13 0.11 0.01 -0.00 -0.04 0.88 0.96 2v8yE1 GLU 99 H -0.06 0.06 0.08 -0.55 8.60 8.14 2v8yE1 GLU 99 HA -0.54 0.21 0.66 -0.75 4.29 3.87 2v8yE1 GLU 99 HB2 -0.19 -0.09 0.06 -0.04 2.09 1.84 2v8yE1 GLU 99 HB3 -0.48 0.05 -0.06 -0.04 1.99 1.45 2v8yE1 GLU 99 HG2 -0.12 0.06 -0.08 -0.04 2.34 2.16 2v8yE1 GLU 99 HG3 0.01 -0.02 -0.16 -0.04 2.34 2.12 2v8yE1 PRO 100 HA -2.01 0.11 0.28 -0.51 4.44 2.31 2v8yE1 PRO 100 HB2 -0.74 0.01 0.08 -0.04 2.28 1.60 2v8yE1 PRO 100 HB3 -1.21 0.03 -0.04 -0.04 2.02 0.76 2v8yE1 PRO 100 HG2 -0.86 0.03 -0.09 -0.04 2.03 1.07 2v8yE1 PRO 100 HG3 -1.30 0.03 -0.05 -0.04 2.03 0.67 2v8yE1 PRO 100 HD2 -1.78 0.07 0.04 -0.04 3.68 1.97 2v8yE1 PRO 100 HD3 -2.17 0.20 0.08 -0.04 3.65 1.72 2v8yE1 MET 101 H -0.28 0.63 -0.30 -0.55 8.47 7.98 2v8yE1 MET 101 HA 0.13 0.16 0.52 -0.75 4.52 4.58 2v8yE1 MET 101 HB2 -0.26 -0.05 0.01 -0.04 2.15 1.80 2v8yE1 MET 101 HB3 0.11 0.14 -0.20 -0.04 2.03 2.04 2v8yE1 MET 101 HG2 -0.17 -0.00 -0.19 -0.04 2.63 2.23 2v8yE1 MET 101 HG3 -0.13 -0.18 -0.19 -0.04 2.56 2.02 2v8yE1 MET 101 HE3 0.04 0.02 -0.16 -0.04 2.10 1.96 2v8yE1 TRP 102 H 0.06 0.20 0.02 -0.55 7.97 7.70 2v8yE1 TRP 102 HA -0.32 0.10 0.28 -0.75 4.62 3.92 2v8yE1 TRP 102 HB2 -0.37 0.06 -0.02 -0.04 3.23 2.85 2v8yE1 TRP 102 HB3 -0.47 0.01 0.05 -0.04 3.23 2.78 2v8yE1 TRP 102 HD1 -0.09 0.02 -0.50 -0.04 7.22 6.62 2v8yE1 TRP 102 HE1 -0.09 -0.01 -0.07 -0.04 10.20 9.99 2v8yE1 TRP 102 HE3 -0.27 -0.02 -0.01 -0.04 7.59 7.24 2v8yE1 TRP 102 HZ2 -0.13 -0.02 -0.02 -0.04 7.44 7.22 2v8yE1 TRP 102 HZ3 -0.30 -0.02 -0.02 -0.04 7.13 6.75 2v8yE1 TRP 102 HH2 -0.21 -0.03 -0.02 -0.04 7.19 6.89 2v8yE1 GLU 103 H -0.32 0.02 -0.33 -0.55 8.60 7.43 2v8yE1 GLU 103 HA 0.25 0.12 0.20 -0.75 4.29 4.11 2v8yE1 GLU 103 HB2 -0.10 -0.02 -0.11 -0.04 2.09 1.82 2v8yE1 GLU 103 HB3 0.03 0.03 0.03 -0.04 1.99 2.04 2v8yE1 GLU 103 HG2 -0.08 0.03 -0.02 -0.04 2.34 2.22 2v8yE1 GLU 103 HG3 -0.17 0.02 -0.05 -0.04 2.34 2.11 2v8yE1 ASP 104 H 0.03 0.33 -0.41 -0.55 8.40 7.81 2v8yE1 ASP 104 HA 0.03 0.02 0.48 -0.75 4.63 4.40 2v8yE1 ASP 104 HB2 -0.02 0.07 0.16 -0.04 2.71 2.88 2v8yE1 ASP 104 HB3 0.10 0.01 0.10 -0.04 2.70 2.86 2v8yE1 GLU 105 H 0.05 0.15 0.23 -0.55 8.60 8.48 2v8yE1 GLU 105 HA 0.06 0.11 0.41 -0.75 4.29 4.12 2v8yE1 GLU 105 HB2 0.04 0.03 0.19 -0.04 2.09 2.31 2v8yE1 GLU 105 HB3 0.05 -0.02 0.18 -0.04 1.99 2.15 2v8yE1 GLU 105 HG2 0.04 0.01 0.02 -0.04 2.34 2.37 2v8yE1 GLU 105 HG3 0.05 0.03 -0.16 -0.04 2.34 2.21 2v8yE1 LYS 106 H 0.09 0.03 -0.25 -0.55 8.42 7.74 2v8yE1 LYS 106 HA 0.10 0.14 0.46 -0.75 4.32 4.26 2v8yE1 LYS 106 HB2 0.13 -0.05 0.01 -0.04 1.87 1.92 2v8yE1 LYS 106 HB3 0.14 0.05 -0.00 -0.04 1.79 1.94 2v8yE1 LYS 106 HG2 0.07 -0.06 -0.02 -0.04 1.46 1.41 2v8yE1 LYS 106 HG3 0.07 0.07 -0.03 -0.04 1.46 1.53 2v8yE1 LYS 106 HD2 0.08 0.03 0.04 -0.04 1.69 1.79 2v8yE1 LYS 106 HD3 0.06 -0.02 -0.10 -0.04 1.68 1.58 2v8yE1 LYS 106 HE2 0.04 0.05 -0.01 -0.04 2.99 3.03 2v8yE1 LYS 106 HE3 0.04 -0.01 -0.01 -0.04 2.99 2.97 2v8yE1 ASN 107 H 0.16 0.23 -0.35 -0.55 8.53 8.02 2v8yE1 ASN 107 HA 0.29 0.18 0.91 -0.75 4.76 5.39 2v8yE1 ASN 107 HB2 0.22 0.12 0.04 -0.04 2.88 3.22 2v8yE1 ASN 107 HB3 0.24 -0.10 -0.06 -0.04 2.79 2.82 2v8yE1 ASN 107 HD21 0.22 0.01 -0.11 -0.04 7.03 7.11 2v8yE1 ASN 107 HD22 0.24 0.44 0.01 -0.04 7.74 8.39 2v8yE1 LYS 108 H 0.13 0.43 -0.01 -0.55 8.42 8.42 2v8yE1 LYS 108 HA 0.14 0.12 0.24 -0.75 4.32 4.07 2v8yE1 LYS 108 HB2 0.09 -0.09 0.04 -0.04 1.87 1.88 2v8yE1 LYS 108 HB3 0.12 0.14 -0.03 -0.04 1.79 1.97 2v8yE1 LYS 108 HG2 0.08 0.07 0.07 -0.04 1.46 1.64 2v8yE1 LYS 108 HG3 0.05 -0.05 -0.19 -0.04 1.46 1.23 2v8yE1 LYS 108 HD2 0.06 -0.04 -0.02 -0.04 1.69 1.65 2v8yE1 LYS 108 HD3 0.06 -0.02 -0.01 -0.04 1.68 1.66 2v8yE1 LYS 108 HE2 0.05 0.07 0.05 -0.04 2.99 3.12 2v8yE1 LYS 108 HE3 0.04 -0.03 -0.01 -0.04 2.99 2.94 2v8yE1 ARG 109 H 0.09 0.21 -0.27 -0.55 8.46 7.93 2v8yE1 ARG 109 HA 0.02 0.14 0.87 -0.75 4.34 4.62 2v8yE1 ARG 109 HB2 0.05 0.16 0.14 -0.04 1.90 2.21 2v8yE1 ARG 109 HB3 0.03 -0.15 0.26 -0.04 1.80 1.89 2v8yE1 ARG 109 HG2 0.02 -0.02 0.03 -0.04 1.67 1.66 2v8yE1 ARG 109 HG3 0.04 -0.02 -0.09 -0.04 1.67 1.56 2v8yE1 ARG 109 HD2 0.02 -0.06 0.04 -0.04 3.22 3.18 2v8yE1 ARG 109 HD3 0.03 -0.01 0.02 -0.04 3.22 3.21 2v8yE1 GLY 110 H 0.11 0.58 -0.32 -0.55 8.43 8.25 2v8yE1 GLY 110 HA2 0.04 -0.19 0.28 -0.51 4.01 3.63 2v8yE1 GLY 110 HA3 0.08 0.33 0.29 -0.51 4.01 4.20 2v8yE1 GLY 111 H -0.17 0.52 0.28 -0.55 8.43 8.51 2v8yE1 GLY 111 HA2 -1.57 0.02 0.66 -0.51 4.01 2.60 2v8yE1 GLY 111 HA3 -0.94 0.05 0.34 -0.51 4.01 2.94 2v8yE1 ARG 112 H -1.19 0.56 0.31 -0.55 8.46 7.58 2v8yE1 ARG 112 HA -0.18 0.37 1.04 -0.75 4.34 4.81 2v8yE1 ARG 112 HB2 0.02 -0.00 -0.21 -0.04 1.90 1.66 2v8yE1 ARG 112 HB3 -0.65 -0.05 -0.26 -0.04 1.80 0.80 2v8yE1 ARG 112 HG2 -0.24 -0.06 -0.22 -0.04 1.67 1.11 2v8yE1 ARG 112 HG3 0.05 0.02 -0.32 -0.04 1.67 1.38 2v8yE1 ARG 112 HD2 -0.35 0.00 -0.09 -0.04 3.22 2.74 2v8yE1 ARG 112 HD3 -0.15 0.01 -0.09 -0.04 3.22 2.94 2v8yE1 TRP 113 H 0.30 0.58 0.34 -0.55 7.97 8.63 2v8yE1 TRP 113 HA 0.14 0.23 0.89 -0.75 4.62 5.12 2v8yE1 TRP 113 HB2 0.12 -0.06 0.21 -0.04 3.23 3.47 2v8yE1 TRP 113 HB3 0.23 0.04 -0.05 -0.04 3.23 3.41 2v8yE1 TRP 113 HD1 0.05 0.02 -0.07 -0.04 7.22 7.17 2v8yE1 TRP 113 HE1 -0.23 0.32 0.05 -0.04 10.20 10.30 2v8yE1 TRP 113 HE3 0.15 0.10 -0.35 -0.04 7.59 7.45 2v8yE1 TRP 113 HZ2 -0.22 0.03 -0.28 -0.04 7.44 6.92 2v8yE1 TRP 113 HZ3 0.11 0.22 -0.40 -0.04 7.13 7.02 2v8yE1 TRP 113 HH2 0.08 -0.03 -0.50 -0.04 7.19 6.70 2v8yE1 LEU 114 H 0.29 0.53 0.26 -0.55 8.37 8.90 2v8yE1 LEU 114 HA 0.26 0.27 1.05 -0.75 4.35 5.18 2v8yE1 LEU 114 HB2 0.07 -0.06 -0.18 -0.04 1.64 1.44 2v8yE1 LEU 114 HB3 0.09 0.01 0.10 -0.04 1.64 1.80 2v8yE1 LEU 114 HG 0.07 -0.03 -0.12 -0.04 1.64 1.52 2v8yE1 LEU 114 HD13 0.07 -0.02 -0.20 -0.04 0.93 0.74 2v8yE1 LEU 114 HD23 0.16 0.03 -0.11 -0.04 0.89 0.92 2v8yE1 ILE 115 H 0.24 0.82 0.45 -0.55 8.25 9.21 2v8yE1 ILE 115 HA 0.14 0.16 0.81 -0.75 4.18 4.54 2v8yE1 ILE 115 HB 0.11 0.04 0.06 -0.04 1.89 2.06 2v8yE1 ILE 115 HG12 0.24 0.10 0.08 -0.04 1.49 1.87 2v8yE1 ILE 115 HG13 0.20 -0.13 -0.06 -0.04 1.21 1.18 2v8yE1 ILE 115 HG23 0.07 0.00 -0.15 -0.04 0.93 0.81 2v8yE1 ILE 115 HD13 0.01 0.00 -0.09 -0.04 0.88 0.76 2v8yE1 THR 116 H 0.11 0.24 0.17 -0.55 8.28 8.25 2v8yE1 THR 116 HA 0.12 0.23 1.14 -0.75 4.39 5.12 2v8yE1 THR 116 HB 0.07 -0.01 0.05 -0.04 4.32 4.40 2v8yE1 THR 116 HG23 0.07 0.03 -0.07 -0.04 1.22 1.20 2v8yE1 LEU 117 H 0.11 0.78 0.35 -0.55 8.37 9.06 2v8yE1 LEU 117 HA 0.11 0.15 0.99 -0.75 4.35 4.84 2v8yE1 LEU 117 HB2 0.10 -0.05 0.07 -0.04 1.64 1.71 2v8yE1 LEU 117 HB3 0.07 0.12 0.03 -0.04 1.64 1.81 2v8yE1 LEU 117 HG 0.26 0.04 -0.13 -0.04 1.64 1.77 2v8yE1 LEU 117 HD13 0.25 -0.02 -0.21 -0.04 0.93 0.90 2v8yE1 LEU 117 HD23 0.05 -0.01 -0.15 -0.04 0.89 0.74 2v8yE1 ASN 118 H 0.05 0.11 0.15 -0.55 8.53 8.29 2v8yE1 ASN 118 HA 0.04 0.12 0.73 -0.75 4.76 4.89 2v8yE1 ASN 118 HB2 0.03 -0.08 0.11 -0.04 2.88 2.90 2v8yE1 ASN 118 HB3 0.02 0.17 0.06 -0.04 2.79 3.00 2v8yE1 ASN 118 HD21 0.03 0.02 0.05 -0.04 7.03 7.09 2v8yE1 ASN 118 HD22 0.04 -0.03 0.08 -0.04 7.74 7.78 2v8yE1 LYS 119 H 0.03 0.18 0.12 -0.55 8.42 8.19 2v8yE1 LYS 119 HA 0.02 0.07 0.64 -0.75 4.32 4.30 2v8yE1 LYS 119 HB2 0.02 -0.02 0.03 -0.04 1.87 1.85 2v8yE1 LYS 119 HB3 0.02 0.02 0.05 -0.04 1.79 1.85 2v8yE1 LYS 119 HG2 0.03 -0.01 -0.21 -0.04 1.46 1.22 2v8yE1 LYS 119 HG3 0.02 0.22 -0.03 -0.04 1.46 1.63 2v8yE1 LYS 119 HD2 0.03 -0.10 -0.19 -0.04 1.69 1.39 2v8yE1 LYS 119 HD3 0.03 0.09 -0.26 -0.04 1.68 1.49 2v8yE1 LYS 119 HE2 0.02 0.03 0.03 -0.04 2.99 3.03 2v8yE1 LYS 119 HE3 0.02 -0.06 0.02 -0.04 2.99 2.94 2v8yE1 GLN 120 H 0.01 0.23 0.15 -0.55 8.47 8.31 2v8yE1 GLN 120 HA 0.01 0.16 0.95 -0.75 4.36 4.72 2v8yE1 GLN 120 HB2 -0.00 0.08 0.05 -0.04 2.15 2.23 2v8yE1 GLN 120 HB3 -0.00 -0.19 -0.04 -0.04 2.02 1.75 2v8yE1 GLN 120 HG2 -0.00 0.01 -0.11 -0.04 2.40 2.26 2v8yE1 GLN 120 HG3 -0.00 0.16 -0.46 -0.04 2.39 2.04 2v8yE1 GLN 120 HE21 -0.07 -0.07 -0.05 -0.04 6.97 6.73 2v8yE1 GLN 120 HE22 -0.03 0.08 -0.05 -0.04 7.69 7.65 2v8yE1 GLN 121 H 0.01 0.06 0.17 -0.55 8.47 8.16 2v8yE1 GLN 121 HA 0.01 0.21 0.68 -0.75 4.36 4.50 2v8yE1 GLN 121 HB2 0.01 -0.08 0.22 -0.04 2.15 2.25 2v8yE1 GLN 121 HB3 0.01 0.05 0.04 -0.04 2.02 2.07 2v8yE1 GLN 121 HG2 0.01 0.02 0.02 -0.04 2.40 2.41 2v8yE1 GLN 121 HG3 0.01 0.06 -0.00 -0.04 2.39 2.42 2v8yE1 GLN 121 HE21 0.01 0.11 -0.18 -0.04 6.97 6.87 2v8yE1 GLN 121 HE22 0.01 0.06 -0.36 -0.04 7.69 7.36 2v8yE1 ARG 122 H 0.00 0.01 0.16 -0.55 8.46 8.07 2v8yE1 ARG 122 HA 0.00 0.23 0.51 -0.75 4.34 4.33 2v8yE1 ARG 122 HB2 0.00 -0.01 0.03 -0.04 1.90 1.88 2v8yE1 ARG 122 HB3 0.00 0.04 0.11 -0.04 1.80 1.92 2v8yE1 ARG 122 HG2 0.00 0.02 -0.12 -0.04 1.67 1.53 2v8yE1 ARG 122 HG3 0.00 -0.03 0.06 -0.04 1.67 1.66 2v8yE1 ARG 122 HD2 0.00 0.03 0.01 -0.04 3.22 3.22 2v8yE1 ARG 122 HD3 0.00 0.01 -0.00 -0.04 3.22 3.20 2v8yE1 ARG 123 H -0.00 -0.00 -0.12 -0.55 8.46 7.78 2v8yE1 ARG 123 HA -0.01 0.24 0.89 -0.75 4.34 4.71 2v8yE1 ARG 123 HB2 -0.02 -0.04 -0.01 -0.04 1.90 1.79 2v8yE1 ARG 123 HB3 -0.03 -0.02 0.05 -0.04 1.80 1.76 2v8yE1 ARG 123 HG2 -0.01 0.10 -0.25 -0.04 1.67 1.47 2v8yE1 ARG 123 HG3 -0.01 -0.06 -0.05 -0.04 1.67 1.52 2v8yE1 ARG 123 HD2 -0.01 0.04 -0.03 -0.04 3.22 3.19 2v8yE1 ARG 123 HD3 -0.02 0.01 -0.02 -0.04 3.22 3.15 2v8yE1 SER 124 H -0.01 0.20 0.03 -0.55 8.46 8.14 2v8yE1 SER 124 HA 0.00 0.24 0.84 -0.75 4.49 4.82 2v8yE1 SER 124 HB2 0.02 0.06 0.08 -0.04 3.95 4.07 2v8yE1 SER 124 HB3 0.03 -0.12 0.24 -0.04 3.93 4.03 2v8yE1 ASP 125 H -0.07 0.23 -0.16 -0.55 8.40 7.84 2v8yE1 ASP 125 HA -0.16 0.09 0.42 -0.75 4.63 4.22 2v8yE1 ASP 125 HB2 -0.27 0.06 -0.01 -0.04 2.71 2.45 2v8yE1 ASP 125 HB3 -0.72 0.07 0.08 -0.04 2.70 2.09 2v8yE1 LEU 126 H -0.02 0.12 -0.33 -0.55 8.37 7.59 2v8yE1 LEU 126 HA 0.10 0.13 0.48 -0.75 4.35 4.31 2v8yE1 LEU 126 HB2 0.05 0.10 0.03 -0.04 1.64 1.78 2v8yE1 LEU 126 HB3 0.07 -0.07 0.02 -0.04 1.64 1.62 2v8yE1 LEU 126 HG 0.13 -0.08 -0.32 -0.04 1.64 1.33 2v8yE1 LEU 126 HD13 0.12 0.01 -0.07 -0.04 0.93 0.96 2v8yE1 LEU 126 HD23 0.05 0.02 -0.22 -0.04 0.89 0.71 2v8yE1 ASP 127 H 0.10 0.25 -0.09 -0.55 8.40 8.11 2v8yE1 ASP 127 HA 0.31 0.01 0.33 -0.75 4.63 4.53 2v8yE1 ASP 127 HB2 0.13 0.15 0.11 -0.04 2.71 3.06 2v8yE1 ASP 127 HB3 0.22 0.06 0.04 -0.04 2.70 2.98 2v8yE1 ARG 128 H 0.09 0.20 -0.24 -0.55 8.46 7.96 2v8yE1 ARG 128 HA 0.15 0.06 0.46 -0.75 4.34 4.25 2v8yE1 ARG 128 HB2 0.03 -0.01 0.08 -0.04 1.90 1.95 2v8yE1 ARG 128 HB3 -0.05 0.12 0.09 -0.04 1.80 1.92 2v8yE1 ARG 128 HG2 0.18 0.08 -0.13 -0.04 1.67 1.76 2v8yE1 ARG 128 HG3 0.10 -0.02 0.03 -0.04 1.67 1.74 2v8yE1 ARG 128 HD2 0.05 0.04 -0.02 -0.04 3.22 3.25 2v8yE1 ARG 128 HD3 0.02 -0.05 -0.02 -0.04 3.22 3.13 2v8yE1 PHE 129 H 0.23 0.50 -0.15 -0.55 8.34 8.36 2v8yE1 PHE 129 HA 0.10 0.09 0.43 -0.75 4.62 4.48 2v8yE1 PHE 129 HB2 0.16 0.10 0.19 -0.04 3.15 3.56 2v8yE1 PHE 129 HB3 0.18 -0.05 -0.04 -0.04 3.06 3.11 2v8yE1 PHE 129 HD2 0.07 -0.07 -0.11 -0.04 7.28 7.13 2v8yE1 PHE 129 HE2 0.02 0.05 -0.02 -0.04 7.38 7.39 2v8yE1 PHE 129 HZ 0.00 0.05 -0.03 -0.04 7.32 7.30 2v8yE1 TRP 130 H 0.49 0.55 -0.13 -0.55 7.97 8.33 2v8yE1 TRP 130 HA 0.19 0.03 0.43 -0.75 4.62 4.52 2v8yE1 TRP 130 HB2 0.20 0.02 0.05 -0.04 3.23 3.46 2v8yE1 TRP 130 HB3 0.19 0.01 0.11 -0.04 3.23 3.50 2v8yE1 TRP 130 HD1 0.20 -0.03 -0.04 -0.04 7.22 7.31 2v8yE1 TRP 130 HE1 -0.04 0.04 -0.06 -0.04 10.20 10.10 2v8yE1 TRP 130 HE3 0.17 0.02 -0.03 -0.04 7.59 7.71 2v8yE1 TRP 130 HZ2 0.17 0.00 -0.20 -0.04 7.44 7.37 2v8yE1 TRP 130 HZ3 0.12 -0.01 -0.29 -0.04 7.13 6.91 2v8yE1 TRP 130 HH2 0.14 0.09 -0.31 -0.04 7.19 7.06 2v8yE1 LEU 131 H 0.23 0.59 -0.11 -0.55 8.37 8.54 2v8yE1 LEU 131 HA -0.31 0.01 0.39 -0.75 4.35 3.68 2v8yE1 LEU 131 HB2 0.07 0.02 0.11 -0.04 1.64 1.80 2v8yE1 LEU 131 HB3 0.08 0.09 0.15 -0.04 1.64 1.92 2v8yE1 LEU 131 HG -0.04 0.01 -0.22 -0.04 1.64 1.34 2v8yE1 LEU 131 HD13 -0.59 -0.02 -0.00 -0.04 0.93 0.28 2v8yE1 LEU 131 HD23 0.18 0.00 -0.04 -0.04 0.89 0.99 2v8yE1 GLU 132 H 0.08 0.59 -0.12 -0.55 8.60 8.61 2v8yE1 GLU 132 HA -0.05 -0.01 0.42 -0.75 4.29 3.90 2v8yE1 GLU 132 HB2 0.11 0.12 0.14 -0.04 2.09 2.42 2v8yE1 GLU 132 HB3 0.10 0.10 0.10 -0.04 1.99 2.24 2v8yE1 GLU 132 HG2 0.01 0.11 -0.12 -0.04 2.34 2.30 2v8yE1 GLU 132 HG3 0.01 -0.08 -0.25 -0.04 2.34 1.98 2v8yE1 THR 133 H 0.05 0.52 -0.29 -0.55 8.28 8.00 2v8yE1 THR 133 HA 0.07 -0.00 0.35 -0.75 4.39 4.06 2v8yE1 THR 133 HB -0.12 0.16 0.11 -0.04 4.32 4.44 2v8yE1 THR 133 HG23 -0.01 -0.03 -0.11 -0.04 1.22 1.03 2v8yE1 LEU 134 H -0.50 0.54 -0.17 -0.55 8.37 7.69 2v8yE1 LEU 134 HA -0.65 -0.01 0.38 -0.75 4.35 3.32 2v8yE1 LEU 134 HB2 -0.62 0.16 0.16 -0.04 1.64 1.30 2v8yE1 LEU 134 HB3 -0.76 -0.08 0.01 -0.04 1.64 0.76 2v8yE1 LEU 134 HG -1.48 0.25 0.04 -0.04 1.64 0.41 2v8yE1 LEU 134 HD13 -0.48 -0.03 -0.07 -0.04 0.93 0.31 2v8yE1 LEU 134 HD23 -0.78 -0.02 -0.05 -0.04 0.89 0.00 2v8yE1 LEU 135 H -0.39 0.56 -0.19 -0.55 8.37 7.79 2v8yE1 LEU 135 HA -0.55 -0.03 0.40 -0.75 4.35 3.41 2v8yE1 LEU 135 HB2 -0.20 0.17 0.12 -0.04 1.64 1.68 2v8yE1 LEU 135 HB3 -0.22 -0.04 0.02 -0.04 1.64 1.36 2v8yE1 LEU 135 HG -0.32 0.24 0.00 -0.04 1.64 1.53 2v8yE1 LEU 135 HD13 0.00 -0.01 -0.06 -0.04 0.93 0.82 2v8yE1 LEU 135 HD23 -0.53 -0.03 -0.06 -0.04 0.89 0.23 2v8yE1 CYS 136 H -0.24 0.52 -0.19 -0.55 8.50 8.03 2v8yE1 CYS 136 HA -0.32 0.01 0.47 -0.75 4.58 3.99 2v8yE1 CYS 136 HB2 -0.10 0.24 0.11 -0.04 2.97 3.17 2v8yE1 CYS 136 HB3 -0.23 -0.10 -0.09 -0.04 2.97 2.51 2v8yE1 LEU 137 H -0.38 0.40 -0.30 -0.55 8.37 7.54 2v8yE1 LEU 137 HA -0.05 0.07 0.67 -0.75 4.35 4.28 2v8yE1 LEU 137 HB2 -0.96 0.09 0.15 -0.04 1.64 0.88 2v8yE1 LEU 137 HB3 -1.18 -0.02 -0.04 -0.04 1.64 0.36 2v8yE1 LEU 137 HG -0.37 0.20 0.01 -0.04 1.64 1.45 2v8yE1 LEU 137 HD13 -0.29 -0.03 -0.11 -0.04 0.93 0.46 2v8yE1 LEU 137 HD23 0.03 -0.03 -0.12 -0.04 0.89 0.72 2v8yE1 ILE 138 H -0.66 0.67 0.09 -0.55 8.25 7.80 2v8yE1 ILE 138 HA -0.28 0.03 0.13 -0.75 4.18 3.31 2v8yE1 ILE 138 HB -0.31 -0.07 0.03 -0.04 1.89 1.51 2v8yE1 ILE 138 HG12 -0.87 0.16 0.01 -0.04 1.49 0.76 2v8yE1 ILE 138 HG13 -0.47 0.08 -0.06 -0.04 1.21 0.72 2v8yE1 ILE 138 HG23 -1.05 0.03 -0.01 -0.04 0.93 -0.15 2v8yE1 ILE 138 HD13 -1.06 -0.03 -0.06 -0.04 0.88 -0.31 2v8yE1 GLY 139 H -0.27 0.39 -0.40 -0.55 8.43 7.60 2v8yE1 GLY 139 HA2 -0.09 0.03 0.38 -0.51 4.01 3.81 2v8yE1 GLY 139 HA3 -0.16 0.08 0.25 -0.51 4.01 3.67 2v8yE1 GLU 140 H -0.07 0.36 -0.54 -0.55 8.60 7.80 2v8yE1 GLU 140 HA 0.04 0.05 0.33 -0.75 4.29 3.97 2v8yE1 GLU 140 HB2 0.01 0.16 0.09 -0.04 2.09 2.30 2v8yE1 GLU 140 HB3 0.04 -0.07 0.14 -0.04 1.99 2.06 2v8yE1 GLU 140 HG2 0.10 0.12 -0.24 -0.04 2.34 2.28 2v8yE1 GLU 140 HG3 0.07 -0.07 -0.05 -0.04 2.34 2.25 2v8yE1 SER 141 H -0.39 0.55 0.11 -0.55 8.46 8.19 2v8yE1 SER 141 HA -0.21 0.16 0.22 -0.75 4.49 3.90 2v8yE1 SER 141 HB2 -0.89 0.03 0.09 -0.04 3.95 3.14 2v8yE1 SER 141 HB3 -0.43 -0.01 0.07 -0.04 3.93 3.53 2v8yE1 PHE 142 H -0.12 0.12 -0.37 -0.55 8.34 7.41 2v8yE1 PHE 142 HA 0.20 0.21 0.61 -0.75 4.62 4.89 2v8yE1 PHE 142 HB2 0.14 -0.01 -0.16 -0.04 3.15 3.07 2v8yE1 PHE 142 HB3 0.27 -0.04 -0.07 -0.04 3.06 3.18 2v8yE1 PHE 142 HD2 0.03 0.04 -0.06 -0.04 7.28 7.24 2v8yE1 PHE 142 HE2 -0.05 0.02 -0.15 -0.04 7.38 7.16 2v8yE1 PHE 142 HZ -0.15 0.00 -0.10 -0.04 7.32 7.04 2v8yE1 ASP 143 H 0.06 0.32 -0.36 -0.55 8.40 7.87 2v8yE1 ASP 143 HA 0.01 0.18 0.27 -0.75 4.63 4.33 2v8yE1 ASP 143 HB2 -0.00 0.05 -0.07 -0.04 2.71 2.65 2v8yE1 ASP 143 HB3 -0.06 -0.09 0.20 -0.04 2.70 2.71 2v8yE1 ASP 144 H -0.17 0.16 0.18 -0.55 8.40 8.03 2v8yE1 ASP 144 HA -0.08 0.10 0.50 -0.75 4.63 4.40 2v8yE1 ASP 144 HB2 -0.55 -0.02 0.11 -0.04 2.71 2.21 2v8yE1 ASP 144 HB3 -0.24 0.02 0.04 -0.04 2.70 2.47 2v8yE1 TYR 145 H -0.20 0.27 -0.17 -0.55 8.29 7.64 2v8yE1 TYR 145 HA 0.02 0.03 0.45 -0.75 4.56 4.30 2v8yE1 TYR 145 HB2 0.07 0.28 0.09 -0.04 3.06 3.46 2v8yE1 TYR 145 HB3 0.04 -0.06 0.12 -0.04 2.98 3.04 2v8yE1 TYR 145 HD2 -0.43 0.05 0.01 -0.04 7.15 6.74 2v8yE1 TYR 145 HE2 -0.15 0.02 -0.05 -0.04 6.85 6.63 2v8yE1 SER 146 H 0.20 0.40 -0.74 -0.55 8.46 7.77 2v8yE1 SER 146 HA 0.35 0.00 0.51 -0.75 4.49 4.60 2v8yE1 SER 146 HB2 0.12 0.43 -0.02 -0.04 3.95 4.45 2v8yE1 SER 146 HB3 0.16 0.04 -0.09 -0.04 3.93 4.01 2v8yE1 ASP 147 H 0.10 0.42 -0.24 -0.55 8.40 8.13 2v8yE1 ASP 147 HA 0.06 0.12 0.53 -0.75 4.63 4.59 2v8yE1 ASP 147 HB2 0.06 0.06 0.09 -0.04 2.71 2.89 2v8yE1 ASP 147 HB3 0.04 -0.03 0.01 -0.04 2.70 2.68 2v8yE1 ASP 148 H 0.14 0.30 -0.32 -0.55 8.40 7.97 2v8yE1 ASP 148 HA 0.09 0.10 0.69 -0.75 4.63 4.75 2v8yE1 ASP 148 HB2 0.11 0.24 0.14 -0.04 2.71 3.16 2v8yE1 ASP 148 HB3 0.06 -0.13 0.01 -0.04 2.70 2.60 2v8yE1 VAL 149 H 0.14 0.26 -0.31 -0.55 8.24 7.78 2v8yE1 VAL 149 HA 0.13 0.07 0.70 -0.75 4.13 4.28 2v8yE1 VAL 149 HB 0.25 0.21 0.16 -0.04 2.12 2.69 2v8yE1 VAL 149 HG13 0.20 -0.01 -0.11 -0.04 0.97 1.01 2v8yE1 VAL 149 HG23 0.14 -0.02 0.04 -0.04 0.95 1.07 2v8yE1 CYS 150 H 0.19 0.48 0.30 -0.55 8.50 8.92 2v8yE1 CYS 150 HA 0.11 0.15 0.82 -0.75 4.58 4.91 2v8yE1 CYS 150 HB2 0.41 -0.04 -0.11 -0.04 2.97 3.18 2v8yE1 CYS 150 HB3 0.42 -0.06 -0.11 -0.04 2.97 3.18 2v8yE1 GLY 151 H -0.04 0.38 0.29 -0.55 8.43 8.52 2v8yE1 GLY 151 HA2 -0.09 0.09 0.44 -0.51 4.01 3.93 2v8yE1 GLY 151 HA3 -1.64 0.09 0.58 -0.51 4.01 2.52 2v8yE1 ALA 152 H -0.36 0.51 0.37 -0.55 8.40 8.38 2v8yE1 ALA 152 HA 0.09 0.20 0.90 -0.75 4.34 4.78 2v8yE1 ALA 152 HB3 0.12 0.00 0.06 -0.04 1.41 1.55 2v8yE1 VAL 153 H 0.32 0.53 0.38 -0.55 8.24 8.93 2v8yE1 VAL 153 HA 0.18 0.30 1.09 -0.75 4.13 4.94 2v8yE1 VAL 153 HB 0.27 -0.06 0.01 -0.04 2.12 2.30 2v8yE1 VAL 153 HG13 0.09 0.01 -0.16 -0.04 0.97 0.86 2v8yE1 VAL 153 HG23 -0.31 -0.02 -0.24 -0.04 0.95 0.34 2v8yE1 VAL 154 H -0.35 0.66 0.41 -0.55 8.24 8.41 2v8yE1 VAL 154 HA -0.09 0.36 1.05 -0.75 4.13 4.71 2v8yE1 VAL 154 HB -0.87 -0.02 0.10 -0.04 2.12 1.29 2v8yE1 VAL 154 HG13 -1.41 -0.03 0.10 -0.04 0.97 -0.40 2v8yE1 VAL 154 HG23 -0.15 -0.00 -0.12 -0.04 0.95 0.64 2v8yE1 ASN 155 H 0.01 0.66 0.33 -0.55 8.53 8.98 2v8yE1 ASN 155 HA -0.04 0.23 0.97 -0.75 4.76 5.17 2v8yE1 ASN 155 HB2 0.05 -0.13 0.13 -0.04 2.88 2.89 2v8yE1 ASN 155 HB3 0.02 0.05 -0.05 -0.04 2.79 2.77 2v8yE1 ASN 155 HD21 0.11 -0.02 -0.17 -0.04 7.03 6.91 2v8yE1 ASN 155 HD22 0.00 0.10 -0.09 -0.04 7.74 7.71 2v8yE1 VAL 156 H -0.03 0.77 0.30 -0.55 8.24 8.73 2v8yE1 VAL 156 HA 0.01 0.10 1.13 -0.75 4.13 4.62 2v8yE1 VAL 156 HB 0.02 -0.02 0.10 -0.04 2.12 2.17 2v8yE1 VAL 156 HG13 -0.02 0.05 -0.09 -0.04 0.97 0.87 2v8yE1 VAL 156 HG23 0.02 0.05 -0.22 -0.04 0.95 0.75 2v8yE1 ARG 157 H 0.03 0.49 0.36 -0.55 8.46 8.78 2v8yE1 ARG 157 HA 0.02 0.01 0.86 -0.75 4.34 4.47 2v8yE1 ARG 157 HB2 0.03 0.17 -0.02 -0.04 1.90 2.04 2v8yE1 ARG 157 HB3 0.03 -0.11 0.10 -0.04 1.80 1.77 2v8yE1 ARG 157 HG2 0.02 -0.08 -0.72 -0.04 1.67 0.85 2v8yE1 ARG 157 HG3 0.03 0.01 -0.19 -0.04 1.67 1.48 2v8yE1 ARG 157 HD2 0.02 -0.04 -0.01 -0.04 3.22 3.16 2v8yE1 ARG 157 HD3 0.02 0.07 0.05 -0.04 3.22 3.31 2v8yE1 ALA 158 H 0.02 0.12 0.19 -0.55 8.40 8.18 2v8yE1 ALA 158 HA 0.02 0.17 0.38 -0.75 4.34 4.15 2v8yE1 ALA 158 HB3 0.02 0.01 0.11 -0.04 1.41 1.51 2v8yE1 LYS 159 H 0.02 0.00 -0.07 -0.55 8.42 7.83 2v8yE1 LYS 159 HA 0.02 0.18 0.63 -0.75 4.32 4.39 2v8yE1 LYS 159 HB2 0.02 0.03 0.10 -0.04 1.87 1.98 2v8yE1 LYS 159 HB3 0.02 -0.03 0.03 -0.04 1.79 1.77 2v8yE1 LYS 159 HG2 0.03 0.06 -0.21 -0.04 1.46 1.30 2v8yE1 LYS 159 HG3 0.02 0.02 -0.04 -0.04 1.46 1.42 2v8yE1 LYS 159 HD2 0.02 -0.02 0.03 -0.04 1.69 1.68 2v8yE1 LYS 159 HD3 0.03 -0.09 0.01 -0.04 1.68 1.58 2v8yE1 LYS 159 HE2 0.02 0.03 -0.09 -0.04 2.99 2.92 2v8yE1 LYS 159 HE3 0.02 0.02 -0.04 -0.04 2.99 2.95 2v8yE1 GLY 160 H 0.03 0.25 -0.20 -0.55 8.43 7.96 2v8yE1 GLY 160 HA2 0.04 0.07 0.34 -0.51 4.01 3.95 2v8yE1 GLY 160 HA3 0.04 0.07 0.35 -0.51 4.01 3.96 2v8yE1 ASP 161 H 0.06 0.48 0.30 -0.55 8.40 8.69 2v8yE1 ASP 161 HA 0.04 0.19 0.87 -0.75 4.63 4.98 2v8yE1 ASP 161 HB2 0.07 -0.08 0.04 -0.04 2.71 2.70 2v8yE1 ASP 161 HB3 0.05 0.06 0.12 -0.04 2.70 2.89 2v8yE1 LYS 162 H 0.06 0.58 0.38 -0.55 8.42 8.89 2v8yE1 LYS 162 HA 0.13 0.26 1.22 -0.75 4.32 5.17 2v8yE1 LYS 162 HB2 0.11 -0.09 0.03 -0.04 1.87 1.88 2v8yE1 LYS 162 HB3 0.13 0.12 0.06 -0.04 1.79 2.06 2v8yE1 LYS 162 HG2 0.08 0.04 -0.19 -0.04 1.46 1.35 2v8yE1 LYS 162 HG3 0.07 -0.06 -0.23 -0.04 1.46 1.19 2v8yE1 LYS 162 HD2 0.09 -0.01 -0.11 -0.04 1.69 1.62 2v8yE1 LYS 162 HD3 0.08 0.03 -0.12 -0.04 1.68 1.63 2v8yE1 LYS 162 HE2 0.05 -0.01 -0.16 -0.04 2.99 2.82 2v8yE1 LYS 162 HE3 0.05 -0.02 -0.13 -0.04 2.99 2.85 2v8yE1 ILE 163 H 0.21 0.53 0.35 -0.55 8.25 8.79 2v8yE1 ILE 163 HA 0.23 0.33 1.01 -0.75 4.18 5.00 2v8yE1 ILE 163 HB 0.34 -0.03 0.06 -0.04 1.89 2.22 2v8yE1 ILE 163 HG12 0.23 0.06 -0.00 -0.04 1.49 1.74 2v8yE1 ILE 163 HG13 0.26 -0.08 -0.31 -0.04 1.21 1.04 2v8yE1 ILE 163 HG23 0.54 0.02 -0.04 -0.04 0.93 1.41 2v8yE1 ILE 163 HD13 0.49 0.01 -0.16 -0.04 0.88 1.17 2v8yE1 ALA 164 H 0.36 0.53 0.37 -0.55 8.40 9.12 2v8yE1 ALA 164 HA 0.36 0.46 1.02 -0.75 4.34 5.44 2v8yE1 ALA 164 HB3 0.43 -0.03 -0.10 -0.04 1.41 1.66 2v8yE1 ILE 165 H 0.31 0.42 0.32 -0.55 8.25 8.76 2v8yE1 ILE 165 HA 0.20 0.23 1.14 -0.75 4.18 4.99 2v8yE1 ILE 165 HB -0.03 -0.08 0.16 -0.04 1.89 1.90 2v8yE1 ILE 165 HG12 -0.13 0.07 0.06 -0.04 1.49 1.45 2v8yE1 ILE 165 HG13 -0.42 -0.06 -0.12 -0.04 1.21 0.57 2v8yE1 ILE 165 HG23 -0.02 0.02 -0.10 -0.04 0.93 0.79 2v8yE1 ILE 165 HD13 -0.65 -0.00 -0.06 -0.04 0.88 0.13 2v8yE1 TRP 166 H 0.41 0.59 0.23 -0.55 7.97 8.65 2v8yE1 TRP 166 HA 0.13 0.28 0.97 -0.75 4.62 5.25 2v8yE1 TRP 166 HB2 0.12 -0.09 -0.00 -0.04 3.23 3.22 2v8yE1 TRP 166 HB3 0.34 0.07 -0.05 -0.04 3.23 3.55 2v8yE1 TRP 166 HD1 0.21 -0.14 -0.55 -0.04 7.22 6.70 2v8yE1 TRP 166 HE1 0.24 -0.00 -0.20 -0.04 10.20 10.20 2v8yE1 TRP 166 HE3 0.37 0.04 -0.22 -0.04 7.59 7.74 2v8yE1 TRP 166 HZ2 0.12 0.02 -0.17 -0.04 7.44 7.36 2v8yE1 TRP 166 HZ3 -0.15 -0.04 -0.74 -0.04 7.13 6.16 2v8yE1 TRP 166 HH2 -0.09 -0.10 -0.24 -0.04 7.19 6.71 2v8yE1 THR 167 H 0.18 0.73 0.43 -0.55 8.28 9.07 2v8yE1 THR 167 HA 0.19 0.26 1.06 -0.75 4.39 5.14 2v8yE1 THR 167 HB 0.10 0.02 -0.03 -0.04 4.32 4.36 2v8yE1 THR 167 HG23 0.20 0.02 -0.28 -0.04 1.22 1.12 2v8yE1 THR 168 H 0.12 0.43 0.28 -0.55 8.28 8.56 2v8yE1 THR 168 HA 0.17 0.24 0.29 -0.75 4.39 4.33 2v8yE1 THR 168 HB 0.13 0.07 0.07 -0.04 4.32 4.55 2v8yE1 THR 168 HG23 0.08 -0.02 0.05 -0.04 1.22 1.29 2v8yE1 GLU 169 H 0.07 0.09 -0.11 -0.55 8.60 8.10 2v8yE1 GLU 169 HA 0.05 0.35 0.73 -0.75 4.29 4.66 2v8yE1 GLU 169 HB2 0.04 0.14 -0.19 -0.04 2.09 2.04 2v8yE1 GLU 169 HB3 0.03 -0.06 0.11 -0.04 1.99 2.02 2v8yE1 GLU 169 HG2 0.02 0.06 -0.05 -0.04 2.34 2.34 2v8yE1 GLU 169 HG3 0.02 -0.33 -0.13 -0.04 2.34 1.86 2v8yE1 CYS 170 H 0.05 0.82 0.32 -0.55 8.50 9.14 2v8yE1 CYS 170 HA 0.14 0.03 0.24 -0.75 4.58 4.24 2v8yE1 CYS 170 HB2 0.19 -0.04 0.00 -0.04 2.97 3.09 2v8yE1 CYS 170 HB3 0.07 0.03 -0.11 -0.04 2.97 2.92 2v8yE1 GLU 171 H 0.03 0.05 -0.51 -0.55 8.60 7.63 2v8yE1 GLU 171 HA 0.08 0.18 0.54 -0.75 4.29 4.34 2v8yE1 GLU 171 HB2 0.02 0.00 -0.08 -0.04 2.09 1.99 2v8yE1 GLU 171 HB3 0.02 0.02 0.10 -0.04 1.99 2.09 2v8yE1 GLU 171 HG2 0.02 -0.08 -0.03 -0.04 2.34 2.21 2v8yE1 GLU 171 HG3 0.01 0.04 0.01 -0.04 2.34 2.35 2v8yE1 ASN 172 H -0.01 0.42 -0.29 -0.55 8.53 8.11 2v8yE1 ASN 172 HA -0.03 0.11 0.70 -0.75 4.76 4.78 2v8yE1 ASN 172 HB2 -0.05 0.20 0.22 -0.04 2.88 3.20 2v8yE1 ASN 172 HB3 -0.08 -0.17 0.17 -0.04 2.79 2.67 2v8yE1 ASN 172 HD21 0.03 0.07 0.01 -0.04 7.03 7.09 2v8yE1 ASN 172 HD22 0.02 -0.03 0.05 -0.04 7.74 7.74 2v8yE1 ARG 173 H -0.01 0.47 -0.17 -0.55 8.46 8.20 2v8yE1 ARG 173 HA -0.34 0.12 0.21 -0.75 4.34 3.57 2v8yE1 ARG 173 HB2 0.02 -0.03 0.12 -0.04 1.90 1.98 2v8yE1 ARG 173 HB3 0.05 0.02 -0.06 -0.04 1.80 1.77 2v8yE1 ARG 173 HG2 0.64 0.03 0.02 -0.04 1.67 2.32 2v8yE1 ARG 173 HG3 0.25 0.05 0.01 -0.04 1.67 1.94 2v8yE1 ARG 173 HD2 0.10 0.04 0.02 -0.04 3.22 3.34 2v8yE1 ARG 173 HD3 0.07 0.04 0.05 -0.04 3.22 3.34 2v8yE1 GLU 174 H -0.13 0.10 -0.18 -0.55 8.60 7.85 2v8yE1 GLU 174 HA -0.17 0.11 0.41 -0.75 4.29 3.89 2v8yE1 GLU 174 HB2 -0.06 0.05 0.07 -0.04 2.09 2.11 2v8yE1 GLU 174 HB3 -0.14 -0.07 0.07 -0.04 1.99 1.81 2v8yE1 GLU 174 HG2 0.11 0.03 -0.05 -0.04 2.34 2.38 2v8yE1 GLU 174 HG3 -0.48 0.01 -0.36 -0.04 2.34 1.46 2v8yE1 ALA 175 H -0.41 0.10 -0.15 -0.55 8.40 7.40 2v8yE1 ALA 175 HA -1.35 0.05 0.47 -0.75 4.34 2.75 2v8yE1 ALA 175 HB3 -0.21 0.04 0.11 -0.04 1.41 1.30 2v8yE1 VAL 176 H -0.36 0.59 -0.10 -0.55 8.24 7.82 2v8yE1 VAL 176 HA -0.17 -0.01 0.20 -0.75 4.13 3.40 2v8yE1 VAL 176 HB -1.01 0.10 -0.00 -0.04 2.12 1.17 2v8yE1 VAL 176 HG13 -1.18 -0.01 -0.28 -0.04 0.97 -0.54 2v8yE1 VAL 176 HG23 -0.50 0.03 -0.10 -0.04 0.95 0.33 2v8yE1 THR 177 H -0.40 0.52 -0.24 -0.55 8.28 7.61 2v8yE1 THR 177 HA 0.06 -0.00 0.35 -0.75 4.39 4.04 2v8yE1 THR 177 HB -0.14 0.06 0.14 -0.04 4.32 4.34 2v8yE1 THR 177 HG23 -0.01 -0.01 -0.05 -0.04 1.22 1.11 2v8yE1 HIS 178 H -0.12 0.53 -0.16 -0.55 8.41 8.11 2v8yE1 HIS 178 HA -0.05 -0.01 0.39 -0.75 4.63 4.21 2v8yE1 HIS 178 HB2 -0.11 0.05 0.15 -0.04 3.26 3.31 2v8yE1 HIS 178 HB3 -0.18 0.07 0.21 -0.04 3.20 3.25 2v8yE1 HIS 178 HD2 0.28 0.01 -0.16 -0.04 6.97 7.05 2v8yE1 HIS 178 HE1 0.10 0.00 -0.04 -0.04 7.75 7.77 2v8yE1 ILE 179 H -0.07 0.63 -0.08 -0.55 8.25 8.18 2v8yE1 ILE 179 HA -0.41 -0.02 0.35 -0.75 4.18 3.35 2v8yE1 ILE 179 HB -0.09 0.10 0.07 -0.04 1.89 1.92 2v8yE1 ILE 179 HG12 -0.57 -0.05 -0.10 -0.04 1.49 0.72 2v8yE1 ILE 179 HG13 -0.02 0.01 -0.01 -0.04 1.21 1.14 2v8yE1 ILE 179 HG23 -0.72 -0.01 -0.18 -0.04 0.93 -0.03 2v8yE1 ILE 179 HD13 -0.04 0.05 -0.18 -0.04 0.88 0.66 2v8yE1 GLY 180 H -0.38 0.54 -0.10 -0.55 8.43 7.94 2v8yE1 GLY 180 HA2 -1.48 -0.04 0.37 -0.51 4.01 2.36 2v8yE1 GLY 180 HA3 -1.75 0.08 0.22 -0.51 4.01 2.05 2v8yE1 ARG 181 H -0.34 0.57 -0.15 -0.55 8.46 7.99 2v8yE1 ARG 181 HA -0.22 0.04 0.46 -0.75 4.34 3.86 2v8yE1 ARG 181 HB2 -0.15 -0.02 0.11 -0.04 1.90 1.80 2v8yE1 ARG 181 HB3 -0.19 0.11 0.17 -0.04 1.80 1.85 2v8yE1 ARG 181 HG2 -0.12 0.01 -0.19 -0.04 1.67 1.33 2v8yE1 ARG 181 HG3 -0.10 -0.02 0.02 -0.04 1.67 1.54 2v8yE1 ARG 181 HD2 -0.04 -0.02 -0.02 -0.04 3.22 3.10 2v8yE1 ARG 181 HD3 -0.05 -0.02 0.00 -0.04 3.22 3.12 2v8yE1 VAL 182 H -0.19 0.61 -0.02 -0.55 8.24 8.09 2v8yE1 VAL 182 HA -0.07 0.02 0.47 -0.75 4.13 3.81 2v8yE1 VAL 182 HB 0.31 0.06 0.10 -0.04 2.12 2.56 2v8yE1 VAL 182 HG13 -0.01 0.02 -0.09 -0.04 0.97 0.85 2v8yE1 VAL 182 HG23 -0.29 0.04 0.05 -0.04 0.95 0.71 2v8yE1 TYR 183 H 0.09 0.65 -0.13 -0.55 8.29 8.35 2v8yE1 TYR 183 HA 0.05 -0.00 0.35 -0.75 4.56 4.21 2v8yE1 TYR 183 HB2 -0.05 0.06 0.04 -0.04 3.06 3.07 2v8yE1 TYR 183 HB3 -0.28 0.08 0.12 -0.04 2.98 2.86 2v8yE1 TYR 183 HD2 -0.03 -0.01 -0.07 -0.04 7.15 7.00 2v8yE1 TYR 183 HE2 0.07 0.01 -0.14 -0.04 6.85 6.74 2v8yE1 LYS 184 H -0.19 0.67 -0.06 -0.55 8.42 8.29 2v8yE1 LYS 184 HA -0.33 -0.04 0.33 -0.75 4.32 3.52 2v8yE1 LYS 184 HB2 -0.25 0.07 0.13 -0.04 1.87 1.78 2v8yE1 LYS 184 HB3 -0.17 0.12 0.13 -0.04 1.79 1.83 2v8yE1 LYS 184 HG2 -0.12 0.05 -0.20 -0.04 1.46 1.16 2v8yE1 LYS 184 HG3 -0.15 -0.10 -0.03 -0.04 1.46 1.13 2v8yE1 LYS 184 HD2 -0.11 -0.18 -0.03 -0.04 1.69 1.33 2v8yE1 LYS 184 HD3 -0.15 0.01 -0.01 -0.04 1.68 1.49 2v8yE1 LYS 184 HE2 -0.04 0.16 -0.00 -0.04 2.99 3.06 2v8yE1 LYS 184 HE3 -0.06 -0.05 -0.05 -0.04 2.99 2.78 2v8yE1 GLU 185 H -0.11 0.41 -0.41 -0.55 8.60 7.94 2v8yE1 GLU 185 HA -0.08 0.04 0.43 -0.75 4.29 3.93 2v8yE1 GLU 185 HB2 -0.07 0.14 0.19 -0.04 2.09 2.31 2v8yE1 GLU 185 HB3 -0.05 -0.06 0.01 -0.04 1.99 1.85 2v8yE1 GLU 185 HG2 -0.06 -0.05 0.01 -0.04 2.34 2.20 2v8yE1 GLU 185 HG3 -0.05 -0.05 0.02 -0.04 2.34 2.22 2v8yE1 ARG 186 H -0.06 0.67 0.03 -0.55 8.46 8.56 2v8yE1 ARG 186 HA -0.05 0.01 0.52 -0.75 4.34 4.07 2v8yE1 ARG 186 HB2 0.02 0.09 0.16 -0.04 1.90 2.14 2v8yE1 ARG 186 HB3 -0.02 -0.06 -0.06 -0.04 1.80 1.62 2v8yE1 ARG 186 HG2 -0.06 0.01 0.03 -0.04 1.67 1.62 2v8yE1 ARG 186 HG3 -0.09 -0.06 -0.03 -0.04 1.67 1.45 2v8yE1 ARG 186 HD2 -0.05 -0.01 0.03 -0.04 3.22 3.16 2v8yE1 ARG 186 HD3 -0.05 -0.00 0.03 -0.04 3.22 3.16 2v8yE1 LEU 187 H -0.23 0.61 -0.20 -0.55 8.37 8.01 2v8yE1 LEU 187 HA -0.19 0.04 0.62 -0.75 4.35 4.08 2v8yE1 LEU 187 HB2 -0.49 0.11 0.01 -0.04 1.64 1.22 2v8yE1 LEU 187 HB3 -0.87 -0.08 0.04 -0.04 1.64 0.69 2v8yE1 LEU 187 HG -0.78 0.10 -0.07 -0.04 1.64 0.84 2v8yE1 LEU 187 HD13 -0.93 -0.03 -0.09 -0.04 0.93 -0.16 2v8yE1 LEU 187 HD23 -0.41 -0.02 -0.04 -0.04 0.89 0.38 2v8yE1 GLY 188 H -0.10 0.31 -0.57 -0.55 8.43 7.52 2v8yE1 GLY 188 HA2 -0.03 0.07 0.28 -0.51 4.01 3.81 2v8yE1 GLY 188 HA3 0.01 -0.02 0.34 -0.51 4.01 3.83 2v8yE1 LEU 189 H -0.11 0.46 -0.05 -0.55 8.37 8.12 2v8yE1 LEU 189 HA -0.00 0.10 0.44 -0.75 4.35 4.13 2v8yE1 LEU 189 HB2 -0.12 0.01 0.01 -0.04 1.64 1.49 2v8yE1 LEU 189 HB3 -0.05 0.00 -0.04 -0.04 1.64 1.51 2v8yE1 LEU 189 HG -0.28 0.02 -0.11 -0.04 1.64 1.23 2v8yE1 LEU 189 HD13 -0.18 -0.03 -0.06 -0.04 0.93 0.63 2v8yE1 LEU 189 HD23 0.01 0.00 -0.08 -0.04 0.89 0.78 2v8yE1 PRO 190 HA -0.00 0.13 0.43 -0.51 4.44 4.49 2v8yE1 PRO 190 HB2 0.01 -0.10 0.02 -0.04 2.28 2.16 2v8yE1 PRO 190 HB3 0.01 0.06 0.12 -0.04 2.02 2.17 2v8yE1 PRO 190 HG2 0.01 -0.03 0.11 -0.04 2.03 2.09 2v8yE1 PRO 190 HG3 0.02 0.05 0.09 -0.04 2.03 2.15 2v8yE1 PRO 190 HD2 0.02 0.07 0.21 -0.04 3.68 3.93 2v8yE1 PRO 190 HD3 0.03 0.19 0.20 -0.04 3.65 4.04 2v8yE1 PRO 191 HA -0.02 0.11 0.36 -0.51 4.44 4.37 2v8yE1 PRO 191 HB2 -0.00 -0.02 0.03 -0.04 2.28 2.25 2v8yE1 PRO 191 HB3 -0.01 0.02 0.08 -0.04 2.02 2.08 2v8yE1 PRO 191 HG2 -0.01 0.01 0.09 -0.04 2.03 2.08 2v8yE1 PRO 191 HG3 -0.02 0.08 0.10 -0.04 2.03 2.16 2v8yE1 PRO 191 HD2 -0.00 0.05 0.22 -0.04 3.68 3.90 2v8yE1 PRO 191 HD3 -0.01 0.30 0.22 -0.04 3.65 4.12 2v8yE1 LYS 192 H 0.00 0.05 -0.51 -0.55 8.42 7.40 2v8yE1 LYS 192 HA 0.01 0.11 0.43 -0.75 4.32 4.11 2v8yE1 LYS 192 HB2 0.01 -0.01 0.01 -0.04 1.87 1.84 2v8yE1 LYS 192 HB3 0.01 0.02 0.08 -0.04 1.79 1.87 2v8yE1 LYS 192 HG2 0.01 0.01 0.01 -0.04 1.46 1.44 2v8yE1 LYS 192 HG3 0.01 -0.02 -0.10 -0.04 1.46 1.30 2v8yE1 LYS 192 HD2 0.01 -0.00 -0.02 -0.04 1.69 1.63 2v8yE1 LYS 192 HD3 0.01 -0.01 -0.01 -0.04 1.68 1.62 2v8yE1 LYS 192 HE2 0.01 -0.00 -0.01 -0.04 2.99 2.94 2v8yE1 LYS 192 HE3 0.01 0.02 -0.01 -0.04 2.99 2.97 2v8yE1 ILE 193 H -0.00 0.50 -0.34 -0.55 8.25 7.86 2v8yE1 ILE 193 HA 0.02 0.04 -0.03 -0.75 4.18 3.45 2v8yE1 ILE 193 HB 0.00 0.22 0.08 -0.04 1.89 2.15 2v8yE1 ILE 193 HG12 0.03 0.03 0.04 -0.04 1.49 1.55 2v8yE1 ILE 193 HG13 0.03 -0.04 0.02 -0.04 1.21 1.17 2v8yE1 ILE 193 HG23 -0.00 -0.01 -0.23 -0.04 0.93 0.65 2v8yE1 ILE 193 HD13 0.04 -0.02 0.02 -0.04 0.88 0.88 2v8yE1 VAL 194 H 0.02 0.10 -0.13 -0.55 8.24 7.68 2v8yE1 VAL 194 HA 0.07 -0.11 0.39 -0.75 4.13 3.73 2v8yE1 VAL 194 HB 0.04 0.20 0.09 -0.04 2.12 2.42 2v8yE1 VAL 194 HG13 0.07 -0.03 -0.04 -0.04 0.97 0.93 2v8yE1 VAL 194 HG23 0.04 0.01 -0.04 -0.04 0.95 0.92 2v8yE1 ILE 195 H 0.10 0.05 0.14 -0.55 8.25 7.99 2v8yE1 ILE 195 HA 0.16 0.26 0.90 -0.75 4.18 4.75 2v8yE1 ILE 195 HB 0.22 0.15 0.12 -0.04 1.89 2.34 2v8yE1 ILE 195 HG12 -0.04 -0.01 0.01 -0.04 1.49 1.41 2v8yE1 ILE 195 HG13 0.38 -0.05 -0.33 -0.04 1.21 1.16 2v8yE1 ILE 195 HG23 0.01 0.01 -0.12 -0.04 0.93 0.79 2v8yE1 ILE 195 HD13 -0.11 0.01 -0.10 -0.04 0.88 0.63 2v8yE1 GLY 196 H 0.26 0.32 0.25 -0.55 8.43 8.72 2v8yE1 GLY 196 HA2 0.29 0.26 1.10 -0.51 4.01 5.15 2v8yE1 GLY 196 HA3 0.11 0.02 0.29 -0.51 4.01 3.93 2v8yE1 TYR 197 H -0.19 0.45 0.33 -0.55 8.29 8.33 2v8yE1 TYR 197 HA -0.58 0.43 1.15 -0.75 4.56 4.80 2v8yE1 TYR 197 HB2 -3.01 -0.01 -0.07 -0.04 3.06 -0.07 2v8yE1 TYR 197 HB3 -0.70 -0.15 0.13 -0.04 2.98 2.22 2v8yE1 TYR 197 HD2 -1.08 -0.05 -0.35 -0.04 7.15 5.63 2v8yE1 TYR 197 HE2 -0.20 0.01 -0.28 -0.04 6.85 6.34 2v8yE1 GLN 198 H -0.71 0.52 0.34 -0.55 8.47 8.07 2v8yE1 GLN 198 HA -0.26 0.17 1.04 -0.75 4.36 4.56 2v8yE1 GLN 198 HB2 -0.30 -0.05 0.05 -0.04 2.15 1.81 2v8yE1 GLN 198 HB3 -0.23 0.14 0.09 -0.04 2.02 1.97 2v8yE1 GLN 198 HG2 -0.13 0.09 -0.16 -0.04 2.40 2.16 2v8yE1 GLN 198 HG3 -0.15 0.01 -0.37 -0.04 2.39 1.84 2v8yE1 GLN 198 HE21 -0.00 0.05 -0.09 -0.04 6.97 6.89 2v8yE1 GLN 198 HE22 -0.04 -0.06 -0.26 -0.04 7.69 7.29 2v8yE1 SER 199 H -0.25 0.19 0.16 -0.55 8.46 8.01 2v8yE1 SER 199 HA -0.44 0.11 0.67 -0.75 4.49 4.08 2v8yE1 SER 199 HB2 -0.16 0.09 0.09 -0.04 3.95 3.93 2v8yE1 SER 199 HB3 -0.12 -0.01 0.08 -0.04 3.93 3.83 2v8yE1 HIS 200 H -0.48 0.64 0.38 -0.55 8.41 8.42 2v8yE1 HIS 200 HA -0.39 0.06 0.53 -0.75 4.63 4.08 2v8yE1 HIS 200 HB2 -0.24 0.15 0.07 -0.04 3.26 3.21 2v8yE1 HIS 200 HB3 -0.31 -0.05 0.01 -0.04 3.20 2.80 2v8yE1 HIS 200 HD2 -0.62 0.01 -0.08 -0.04 6.97 6.23 2v8yE1 HIS 200 HE1 -0.36 0.02 -0.08 -0.04 7.75 7.28 2v8yE1 ALA 201 H -0.17 0.17 -0.09 -0.55 8.40 7.76 2v8yE1 ALA 201 HA -0.31 0.09 0.45 -0.75 4.34 3.82 2v8yE1 ALA 201 HB3 -0.14 0.02 0.08 -0.04 1.41 1.33 2v8yE1 ASP 202 H -0.25 0.31 -1.03 -0.55 8.40 6.88 2v8yE1 ASP 202 HA -0.18 0.00 0.49 -0.75 4.63 4.19 2v8yE1 ASP 202 HB2 -0.17 -0.03 0.06 -0.04 2.71 2.53 2v8yE1 ASP 202 HB3 -0.22 0.15 0.12 -0.04 2.70 2.71 2v8yE1 THR 203 H -0.39 0.50 -0.18 -0.55 8.28 7.66 2v8yE1 THR 203 HA -0.33 0.05 -0.03 -0.75 4.39 3.32 2v8yE1 THR 203 HB -0.18 0.15 0.21 -0.04 4.32 4.45 2v8yE1 THR 203 HG23 -0.16 -0.03 0.03 -0.04 1.22 1.01 2v8yE1 THR 210 H -0.02 -0.00 0.01 -0.55 8.28 7.71 2v8yE1 THR 210 HA -0.02 -0.12 0.33 -0.75 4.39 3.83 2v8yE1 THR 210 HB -0.03 0.04 -0.34 -0.04 4.32 3.95 2v8yE1 THR 210 HG23 -0.04 0.15 0.08 -0.04 1.22 1.37 2v8yE1 THR 211 H -0.02 0.09 0.10 -0.55 8.28 7.91 2v8yE1 THR 211 HA -0.03 0.05 0.17 -0.75 4.39 3.83 2v8yE1 THR 211 HB -0.01 0.04 0.12 -0.04 4.32 4.42 2v8yE1 THR 211 HG23 -0.02 -0.01 0.11 -0.04 1.22 1.25 2v8yE1 LYS 212 H -0.05 0.05 0.03 -0.55 8.42 7.89 2v8yE1 LYS 212 HA -0.08 0.03 0.27 -0.75 4.32 3.79 2v8yE1 LYS 212 HB2 -0.08 0.29 0.05 -0.04 1.87 2.09 2v8yE1 LYS 212 HB3 -0.11 -0.08 0.32 -0.04 1.79 1.88 2v8yE1 LYS 212 HG2 -0.10 -0.07 0.06 -0.04 1.46 1.31 2v8yE1 LYS 212 HG3 -0.08 -0.03 0.02 -0.04 1.46 1.33 2v8yE1 LYS 212 HD2 -0.09 0.04 0.01 -0.04 1.69 1.61 2v8yE1 LYS 212 HD3 -0.10 -0.04 0.01 -0.04 1.68 1.52 2v8yE1 LYS 212 HE2 -0.07 -0.03 -0.07 -0.04 2.99 2.78 2v8yE1 LYS 212 HE3 -0.07 -0.08 -0.03 -0.04 2.99 2.78 2v8yE1 ASN 213 H -0.05 -0.04 -0.11 -0.55 8.53 7.78 2v8yE1 ASN 213 HA -0.10 0.19 0.69 -0.75 4.76 4.79 2v8yE1 ASN 213 HB2 -0.02 -0.07 0.07 -0.04 2.88 2.82 2v8yE1 ASN 213 HB3 -0.00 0.16 0.01 -0.04 2.79 2.92 2v8yE1 ASN 213 HD21 0.04 0.04 -0.06 -0.04 7.03 7.00 2v8yE1 ASN 213 HD22 0.03 -0.00 -0.04 -0.04 7.74 7.68 2v8yE1 ARG 214 H -0.14 0.71 0.40 -0.55 8.46 8.88 2v8yE1 ARG 214 HA -0.28 0.10 0.66 -0.75 4.34 4.06 2v8yE1 ARG 214 HB2 -0.17 0.01 0.11 -0.04 1.90 1.81 2v8yE1 ARG 214 HB3 -0.84 -0.01 -0.07 -0.04 1.80 0.83 2v8yE1 ARG 214 HG2 -0.23 0.04 0.01 -0.04 1.67 1.44 2v8yE1 ARG 214 HG3 -0.17 -0.04 0.06 -0.04 1.67 1.48 2v8yE1 ARG 214 HD2 -0.11 -0.02 -0.04 -0.04 3.22 3.01 2v8yE1 ARG 214 HD3 -0.30 0.01 -0.02 -0.04 3.22 2.87 2v8yE1 PHE 215 H -0.08 0.16 0.23 -0.55 8.34 8.09 2v8yE1 PHE 215 HA 0.00 0.19 0.71 -0.75 4.62 4.76 2v8yE1 PHE 215 HB2 -0.29 -0.08 -0.04 -0.04 3.15 2.71 2v8yE1 PHE 215 HB3 0.13 0.07 0.05 -0.04 3.06 3.26 2v8yE1 PHE 215 HD2 -0.30 -0.02 -0.04 -0.04 7.28 6.88 2v8yE1 PHE 215 HE2 -0.21 0.03 -0.03 -0.04 7.38 7.13 2v8yE1 PHE 215 HZ -0.13 0.01 -0.06 -0.04 7.32 7.10 2v8yE1 VAL 216 H 0.27 0.28 0.17 -0.55 8.24 8.41 2v8yE1 VAL 216 HA 0.48 0.27 0.52 -0.75 4.13 4.65 2v8yE1 VAL 216 HB 0.18 -0.00 0.15 -0.04 2.12 2.40 2v8yE1 VAL 216 HG13 0.11 -0.01 -0.16 -0.04 0.97 0.87 2v8yE1 VAL 216 HG23 0.10 -0.01 -0.09 -0.04 0.95 0.91 2v8yE1 VAL 217 H 0.22 0.33 0.11 -0.55 8.24 8.35 2v8yE1 VAL 217 HA 0.06 0.26 0.67 -0.75 4.13 4.36 2v8yE1 VAL 217 HB -0.17 0.04 -0.02 -0.04 2.12 1.93 2v8yE1 VAL 217 HG13 -0.09 -0.01 -0.17 -0.04 0.97 0.66 2v8yE1 VAL 217 HG23 -0.49 0.00 -0.18 -0.04 0.95 0.24