============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. PHE 5 1.000 -31.069 -36.119 16.628 -99.200 -91.000 PHE 8 1.000 -35.426 -31.703 7.922 -99.200 -91.000 HIS 11 0.900 -45.186 -23.754 3.583 -99.200 -91.000 HIS 19 0.900 -53.783 -31.538 -9.046 -99.200 -91.000 PHE 21 1.000 -47.030 -30.425 -5.290 -99.200 -91.000 TYR 32 0.840 -20.665 -31.822 12.963 -99.200 -91.000 PHE 50 1.000 -46.848 -34.770 -8.222 -99.200 -91.000 TRP 52 1.040 -43.029 -38.792 -1.518 -99.200 -91.000 TRP6 52 1.020 -44.186 -37.026 -0.472 -99.200 -91.000 PHE 59 1.000 -40.753 -32.988 0.662 -99.200 -91.000 TYR 63 0.840 -29.749 -32.796 9.171 -99.200 -91.000 HIS 66 0.900 -18.893 -32.122 3.760 -99.200 -91.000 TYR 73 0.840 -20.764 -22.781 -0.222 -99.200 -91.000 PHE 78 1.000 -27.317 -23.494 8.251 -99.200 -91.000 PHE 82 1.000 -27.589 -24.803 2.426 -99.200 -91.000 TRP 84 1.040 -31.555 -26.868 -1.423 -99.200 -91.000 TRP6 84 1.020 -32.970 -27.914 -3.015 -99.200 -91.000 PHE 90 1.000 -37.682 -36.286 -13.631 -99.200 -91.000 PHE 109 1.000 -29.884 -27.184 10.285 -99.200 -91.000 TYR 111 0.840 -34.067 -27.860 5.569 -99.200 -91.000 HIS 112 0.900 -39.987 -20.937 4.590 -99.200 -91.000 PHE 115 1.000 -40.953 -30.183 -7.694 -99.200 -91.000 PHE 120 1.000 -42.483 -34.462 -14.766 -99.200 -91.000 TRP 134 1.040 -35.498 -40.675 -6.332 -99.200 -91.000 TRP6 134 1.020 -35.092 -39.709 -8.453 -99.200 -91.000 TYR 142 0.840 -18.791 -27.900 -11.064 -99.200 -91.000 HIS 153 0.900 -25.017 -38.451 -15.656 -99.200 -91.000 HIS 163 0.900 -32.479 -48.858 -13.147 -99.200 -91.000 TYR 164 0.840 -38.857 -41.019 -15.655 -99.200 -91.000 PHE 168 1.000 -31.919 -34.789 -8.667 -99.200 -91.000 TYR 172 0.840 -25.617 -27.911 -3.333 -99.200 -91.000 TYR 183 0.840 -14.200 -32.667 -10.477 -99.200 -91.000 TYR 184 0.840 -16.968 -32.111 -2.446 -99.200 -91.000 TYR 185 0.840 -16.700 -37.698 -7.820 -99.200 -91.000 HIS 195 0.900 -46.406 -46.064 0.921 -99.200 -91.000 TYR 199 0.840 -46.789 -43.401 -1.809 -99.200 -91.000 TYR 205 0.840 -31.672 -43.503 7.152 -99.200 -91.000 HIS 212 0.900 -10.372 -35.601 -1.126 -99.200 -91.000 HIS 213 0.900 -12.024 -41.331 -8.696 -99.200 -91.000 PHE 215 1.000 -9.689 -46.010 -9.211 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2v4eE1 VAL 7 HB 0.06 -0.01 -0.19 -0.04 2.12 1.94 2v4eE1 VAL 7 HG13 0.03 -0.01 0.00 -0.04 0.97 0.95 2v4eE1 VAL 7 HG23 0.05 0.00 -0.01 -0.04 0.95 0.96 2v4eE1 ILE 8 H 0.06 0.18 0.06 -0.55 8.25 8.00 2v4eE1 ILE 8 HA -0.09 0.15 0.87 -0.75 4.18 4.36 2v4eE1 ILE 8 HB 0.02 -0.02 0.09 -0.04 1.89 1.94 2v4eE1 ILE 8 HG12 -0.05 0.01 0.01 -0.04 1.49 1.41 2v4eE1 ILE 8 HG13 -0.07 0.01 0.02 -0.04 1.21 1.13 2v4eE1 ILE 8 HG23 -0.20 0.01 -0.21 -0.04 0.93 0.48 2v4eE1 ILE 8 HD13 0.11 -0.02 -0.11 -0.04 0.88 0.82 2v4eE1 LYS 9 H -0.04 0.18 0.07 -0.55 8.42 8.07 2v4eE1 LYS 9 HA 0.11 0.17 0.54 -0.75 4.32 4.38 2v4eE1 LYS 9 HB2 0.02 0.12 0.00 -0.04 1.87 1.98 2v4eE1 LYS 9 HB3 0.06 -0.01 0.09 -0.04 1.79 1.89 2v4eE1 LYS 9 HG2 -0.05 0.03 -0.14 -0.04 1.46 1.26 2v4eE1 LYS 9 HG3 -0.02 0.05 0.01 -0.04 1.46 1.47 2v4eE1 LYS 9 HD2 0.02 0.00 -0.04 -0.04 1.69 1.63 2v4eE1 LYS 9 HD3 0.03 0.01 -0.35 -0.04 1.68 1.33 2v4eE1 LYS 9 HE2 -0.02 0.06 -0.10 -0.04 2.99 2.89 2v4eE1 LYS 9 HE3 -0.01 0.01 -0.03 -0.04 2.99 2.91 2v4eE1 PRO 10 HA 0.32 -0.01 0.43 -0.51 4.44 4.67 2v4eE1 PRO 10 HB2 0.14 0.04 -0.01 -0.04 2.28 2.41 2v4eE1 PRO 10 HB3 0.12 0.01 0.11 -0.04 2.02 2.22 2v4eE1 PRO 10 HG2 0.05 0.04 0.08 -0.04 2.03 2.16 2v4eE1 PRO 10 HG3 0.02 0.05 0.09 -0.04 2.03 2.15 2v4eE1 PRO 10 HD2 0.08 0.11 0.21 -0.04 3.68 4.04 2v4eE1 PRO 10 HD3 0.09 0.18 0.22 -0.04 3.65 4.10 2v4eE1 PHE 11 H 0.21 0.15 -0.28 -0.55 8.34 7.87 2v4eE1 PHE 11 HA 0.14 0.28 0.70 -0.75 4.62 4.99 2v4eE1 PHE 11 HB2 0.07 -0.04 -0.09 -0.04 3.15 3.05 2v4eE1 PHE 11 HB3 0.05 -0.04 0.07 -0.04 3.06 3.10 2v4eE1 PHE 11 HD2 0.07 -0.01 -0.13 -0.04 7.28 7.18 2v4eE1 PHE 11 HE2 0.06 -0.03 -0.08 -0.04 7.38 7.29 2v4eE1 PHE 11 HZ 0.05 -0.02 -0.09 -0.04 7.32 7.22 2v4eE1 MET 12 H -0.24 0.66 0.39 -0.55 8.47 8.73 2v4eE1 MET 12 HA -0.02 0.19 1.03 -0.75 4.52 4.97 2v4eE1 MET 12 HB2 0.11 -0.03 -0.00 -0.04 2.15 2.18 2v4eE1 MET 12 HB3 -0.26 0.07 0.13 -0.04 2.03 1.92 2v4eE1 MET 12 HG2 -0.05 0.01 -0.39 -0.04 2.63 2.16 2v4eE1 MET 12 HG3 -0.11 -0.01 -0.03 -0.04 2.56 2.37 2v4eE1 MET 12 HE3 -0.62 0.05 0.09 -0.04 2.10 1.57 2v4eE1 ARG 13 H -0.02 0.24 0.35 -0.55 8.46 8.48 2v4eE1 ARG 13 HA 0.03 0.21 1.21 -0.75 4.34 5.03 2v4eE1 ARG 13 HB2 -0.00 -0.04 0.10 -0.04 1.90 1.92 2v4eE1 ARG 13 HB3 -0.02 0.11 0.22 -0.04 1.80 2.06 2v4eE1 ARG 13 HG2 0.13 -0.00 -0.02 -0.04 1.67 1.74 2v4eE1 ARG 13 HG3 0.08 -0.02 0.04 -0.04 1.67 1.73 2v4eE1 ARG 13 HD2 0.03 0.01 0.02 -0.04 3.22 3.24 2v4eE1 ARG 13 HD3 0.01 0.02 0.02 -0.04 3.22 3.23 2v4eE1 PHE 14 H -0.25 0.77 0.40 -0.55 8.34 8.71 2v4eE1 PHE 14 HA -0.03 0.24 0.74 -0.75 4.62 4.81 2v4eE1 PHE 14 HB2 -0.59 0.09 -0.00 -0.04 3.15 2.60 2v4eE1 PHE 14 HB3 0.12 -0.04 -0.14 -0.04 3.06 2.96 2v4eE1 PHE 14 HD2 0.07 0.01 -0.43 -0.04 7.28 6.90 2v4eE1 PHE 14 HE2 0.03 0.03 -0.22 -0.04 7.38 7.19 2v4eE1 PHE 14 HZ 0.12 -0.01 -0.20 -0.04 7.32 7.19 2v4eE1 LYS 15 H 0.06 0.80 0.40 -0.55 8.42 9.12 2v4eE1 LYS 15 HA 0.04 0.18 1.10 -0.75 4.32 4.88 2v4eE1 LYS 15 HB2 0.05 -0.02 0.20 -0.04 1.87 2.06 2v4eE1 LYS 15 HB3 0.07 0.02 0.17 -0.04 1.79 2.01 2v4eE1 LYS 15 HG2 -0.01 0.06 -0.03 -0.04 1.46 1.43 2v4eE1 LYS 15 HG3 0.01 0.02 -0.10 -0.04 1.46 1.34 2v4eE1 LYS 15 HD2 0.02 -0.01 0.01 -0.04 1.69 1.68 2v4eE1 LYS 15 HD3 0.03 -0.00 0.04 -0.04 1.68 1.70 2v4eE1 LYS 15 HE2 -0.01 -0.01 -0.00 -0.04 2.99 2.93 2v4eE1 LYS 15 HE3 -0.00 0.01 -0.04 -0.04 2.99 2.91 2v4eE1 VAL 16 H 0.20 0.79 0.37 -0.55 8.24 9.05 2v4eE1 VAL 16 HA 0.33 0.29 1.17 -0.75 4.13 5.16 2v4eE1 VAL 16 HB 0.67 0.03 -0.14 -0.04 2.12 2.64 2v4eE1 VAL 16 HG13 0.33 -0.03 -0.17 -0.04 0.97 1.06 2v4eE1 VAL 16 HG23 0.50 -0.00 -0.25 -0.04 0.95 1.16 2v4eE1 HIS 17 H 0.36 0.76 0.43 -0.55 8.41 9.42 2v4eE1 HIS 17 HA 0.20 0.21 1.10 -0.75 4.63 5.38 2v4eE1 HIS 17 HB2 0.21 -0.02 0.10 -0.04 3.26 3.50 2v4eE1 HIS 17 HB3 0.40 0.01 0.29 -0.04 3.20 3.86 2v4eE1 HIS 17 HD2 0.09 -0.04 -0.21 -0.04 6.97 6.77 2v4eE1 HIS 17 HE1 0.06 -0.04 -0.02 -0.04 7.75 7.71 2v4eE1 MET 18 H -0.04 0.85 0.41 -0.55 8.47 9.14 2v4eE1 MET 18 HA 0.11 0.38 1.23 -0.75 4.52 5.50 2v4eE1 MET 18 HB2 0.29 0.01 -0.13 -0.04 2.15 2.27 2v4eE1 MET 18 HB3 0.29 -0.10 0.06 -0.04 2.03 2.24 2v4eE1 MET 18 HG2 0.03 -0.05 -0.54 -0.04 2.63 2.03 2v4eE1 MET 18 HG3 0.03 0.10 -0.19 -0.04 2.56 2.45 2v4eE1 MET 18 HE3 -0.34 0.02 -0.23 -0.04 2.10 1.50 2v4eE1 GLU 19 H 0.03 0.59 0.39 -0.55 8.60 9.06 2v4eE1 GLU 19 HA -0.12 0.23 1.05 -0.75 4.29 4.69 2v4eE1 GLU 19 HB2 0.01 -0.01 0.24 -0.04 2.09 2.29 2v4eE1 GLU 19 HB3 -0.06 0.00 0.10 -0.04 1.99 1.99 2v4eE1 GLU 19 HG2 0.04 -0.01 0.07 -0.04 2.34 2.40 2v4eE1 GLU 19 HG3 0.04 -0.02 -0.16 -0.04 2.34 2.16 2v4eE1 GLY 20 H -0.64 0.64 0.37 -0.55 8.43 8.26 2v4eE1 GLY 20 HA2 -0.16 0.32 1.14 -0.51 4.01 4.79 2v4eE1 GLY 20 HA3 -0.69 -0.04 0.21 -0.51 4.01 2.98 2v4eE1 SER 21 H 0.08 0.47 0.29 -0.55 8.46 8.75 2v4eE1 SER 21 HA 0.02 0.31 0.64 -0.75 4.49 4.70 2v4eE1 SER 21 HB2 -0.05 0.05 -0.13 -0.04 3.95 3.79 2v4eE1 SER 21 HB3 0.01 -0.06 0.12 -0.04 3.93 3.96 2v4eE1 VAL 22 H 0.22 0.64 0.13 -0.55 8.24 8.68 2v4eE1 VAL 22 HA -0.03 0.27 0.91 -0.75 4.13 4.52 2v4eE1 VAL 22 HB -0.68 0.09 0.06 -0.04 2.12 1.55 2v4eE1 VAL 22 HG13 -0.74 -0.02 -0.22 -0.04 0.97 -0.05 2v4eE1 VAL 22 HG23 -0.87 -0.01 -0.23 -0.04 0.95 -0.21 2v4eE1 ASN 23 H 0.07 0.51 0.24 -0.55 8.53 8.80 2v4eE1 ASN 23 HA 0.07 -0.06 0.42 -0.75 4.76 4.44 2v4eE1 ASN 23 HB2 0.02 0.13 -0.29 -0.04 2.88 2.70 2v4eE1 ASN 23 HB3 0.07 0.06 0.25 -0.04 2.79 3.13 2v4eE1 ASN 23 HD21 0.12 0.40 0.09 -0.04 7.03 7.60 2v4eE1 ASN 23 HD22 0.06 0.05 0.02 -0.04 7.74 7.83 2v4eE1 GLY 24 H 0.06 0.09 -0.20 -0.55 8.43 7.84 2v4eE1 GLY 24 HA2 0.04 -0.02 0.27 -0.51 4.01 3.79 2v4eE1 GLY 24 HA3 0.05 0.11 0.43 -0.51 4.01 4.09 2v4eE1 HIS 25 H 0.19 0.43 -0.53 -0.55 8.41 7.96 2v4eE1 HIS 25 HA 0.09 0.10 0.77 -0.75 4.63 4.83 2v4eE1 HIS 25 HB2 0.10 0.03 0.06 -0.04 3.26 3.42 2v4eE1 HIS 25 HB3 0.19 0.00 0.17 -0.04 3.20 3.53 2v4eE1 HIS 25 HD2 0.26 0.10 -0.22 -0.04 6.97 7.07 2v4eE1 HIS 25 HE1 0.06 -0.04 0.02 -0.04 7.75 7.74 2v4eE1 GLU 26 H -0.05 0.12 0.22 -0.55 8.60 8.34 2v4eE1 GLU 26 HA 0.03 0.24 0.82 -0.75 4.29 4.62 2v4eE1 GLU 26 HB2 -0.02 -0.04 0.13 -0.04 2.09 2.12 2v4eE1 GLU 26 HB3 -0.04 -0.01 0.09 -0.04 1.99 1.99 2v4eE1 GLU 26 HG2 -0.09 0.14 -0.00 -0.04 2.34 2.35 2v4eE1 GLU 26 HG3 -0.01 -0.06 -0.13 -0.04 2.34 2.09 2v4eE1 PHE 27 H -0.33 0.50 0.38 -0.55 8.34 8.33 2v4eE1 PHE 27 HA 0.09 0.05 0.40 -0.75 4.62 4.41 2v4eE1 PHE 27 HB2 0.11 0.07 0.07 -0.04 3.15 3.36 2v4eE1 PHE 27 HB3 0.19 0.18 -0.10 -0.04 3.06 3.29 2v4eE1 PHE 27 HD2 0.18 0.09 -0.38 -0.04 7.28 7.13 2v4eE1 PHE 27 HE2 -0.05 -0.05 -0.28 -0.04 7.38 6.97 2v4eE1 PHE 27 HZ -0.32 -0.01 -0.26 -0.04 7.32 6.69 2v4eE1 GLU 28 H 0.22 0.37 0.34 -0.55 8.60 8.98 2v4eE1 GLU 28 HA 0.03 0.37 1.12 -0.75 4.29 5.06 2v4eE1 GLU 28 HB2 0.06 -0.14 0.16 -0.04 2.09 2.13 2v4eE1 GLU 28 HB3 -0.04 0.07 0.12 -0.04 1.99 2.11 2v4eE1 GLU 28 HG2 -0.02 0.10 0.11 -0.04 2.34 2.50 2v4eE1 GLU 28 HG3 0.03 -0.08 -0.16 -0.04 2.34 2.09 2v4eE1 ILE 29 H 0.04 0.83 0.44 -0.55 8.25 9.02 2v4eE1 ILE 29 HA 0.15 0.14 1.11 -0.75 4.18 4.84 2v4eE1 ILE 29 HB 0.37 -0.03 0.01 -0.04 1.89 2.20 2v4eE1 ILE 29 HG12 0.32 -0.00 -0.10 -0.04 1.49 1.67 2v4eE1 ILE 29 HG13 0.37 -0.03 -0.55 -0.04 1.21 0.96 2v4eE1 ILE 29 HG23 0.18 -0.01 -0.25 -0.04 0.93 0.81 2v4eE1 ILE 29 HD13 0.25 -0.00 -0.19 -0.04 0.88 0.89 2v4eE1 GLU 30 H 0.08 0.87 0.49 -0.55 8.60 9.49 2v4eE1 GLU 30 HA 0.10 0.29 1.17 -0.75 4.29 5.09 2v4eE1 GLU 30 HB2 0.07 -0.06 0.12 -0.04 2.09 2.17 2v4eE1 GLU 30 HB3 0.06 -0.02 0.10 -0.04 1.99 2.09 2v4eE1 GLU 30 HG2 0.10 -0.04 0.06 -0.04 2.34 2.42 2v4eE1 GLU 30 HG3 0.11 0.05 0.17 -0.04 2.34 2.64 2v4eE1 GLY 31 H 0.11 0.64 0.49 -0.55 8.43 9.12 2v4eE1 GLY 31 HA2 0.00 0.08 0.61 -0.51 4.01 4.20 2v4eE1 GLY 31 HA3 0.00 0.04 0.60 -0.51 4.01 4.15 2v4eE1 GLU 32 H -0.06 0.49 0.47 -0.55 8.60 8.95 2v4eE1 GLU 32 HA -0.18 0.22 1.05 -0.75 4.29 4.63 2v4eE1 GLU 32 HB2 -0.14 0.08 0.19 -0.04 2.09 2.17 2v4eE1 GLU 32 HB3 -0.06 0.01 0.13 -0.04 1.99 2.03 2v4eE1 GLU 32 HG2 -0.04 -0.04 0.05 -0.04 2.34 2.26 2v4eE1 GLU 32 HG3 -0.08 -0.05 0.12 -0.04 2.34 2.29 2v4eE1 GLY 33 H -0.95 0.69 0.46 -0.55 8.43 8.09 2v4eE1 GLY 33 HA2 -0.37 0.06 0.78 -0.51 4.01 3.97 2v4eE1 GLY 33 HA3 -1.22 0.15 0.55 -0.51 4.01 2.98 2v4eE1 GLU 34 H -0.19 0.57 0.43 -0.55 8.60 8.86 2v4eE1 GLU 34 HA -0.06 0.23 0.94 -0.75 4.29 4.64 2v4eE1 GLU 34 HB2 -0.08 0.06 0.13 -0.04 2.09 2.16 2v4eE1 GLU 34 HB3 0.00 0.02 -0.13 -0.04 1.99 1.84 2v4eE1 GLU 34 HG2 0.02 -0.08 0.03 -0.04 2.34 2.27 2v4eE1 GLU 34 HG3 0.18 0.01 -0.20 -0.04 2.34 2.29 2v4eE1 GLY 35 H -0.36 0.68 0.46 -0.55 8.43 8.66 2v4eE1 GLY 35 HA2 -0.21 -0.03 0.32 -0.51 4.01 3.58 2v4eE1 GLY 35 HA3 -0.22 0.25 0.82 -0.51 4.01 4.35 2v4eE1 LYS 36 H 0.09 0.53 0.28 -0.55 8.42 8.77 2v4eE1 LYS 36 HA 0.12 0.37 0.90 -0.75 4.32 4.95 2v4eE1 LYS 36 HB2 0.16 -0.14 0.28 -0.04 1.87 2.13 2v4eE1 LYS 36 HB3 0.20 0.05 0.19 -0.04 1.79 2.19 2v4eE1 LYS 36 HG2 0.44 0.12 0.01 -0.04 1.46 2.00 2v4eE1 LYS 36 HG3 0.24 -0.07 -0.00 -0.04 1.46 1.58 2v4eE1 LYS 36 HD2 0.18 -0.03 0.03 -0.04 1.69 1.83 2v4eE1 LYS 36 HD3 0.19 0.01 0.04 -0.04 1.68 1.89 2v4eE1 LYS 36 HE2 0.26 0.02 -0.02 -0.04 2.99 3.21 2v4eE1 LYS 36 HE3 0.25 -0.01 -0.03 -0.04 2.99 3.16 2v4eE1 PRO 37 HA -0.03 0.02 0.25 -0.51 4.44 4.17 2v4eE1 PRO 37 HB2 -0.54 0.03 -0.08 -0.04 2.28 1.64 2v4eE1 PRO 37 HB3 -0.43 0.09 -0.07 -0.04 2.02 1.57 2v4eE1 PRO 37 HG2 -0.16 0.14 -0.00 -0.04 2.03 1.97 2v4eE1 PRO 37 HG3 -0.47 -0.01 -0.07 -0.04 2.03 1.43 2v4eE1 PRO 37 HD2 0.08 0.17 0.09 -0.04 3.68 3.98 2v4eE1 PRO 37 HD3 0.04 0.24 0.18 -0.04 3.65 4.07 2v4eE1 TYR 38 H 0.17 0.10 -0.26 -0.55 8.29 7.75 2v4eE1 TYR 38 HA 0.04 0.23 0.61 -0.75 4.56 4.69 2v4eE1 TYR 38 HB2 0.05 -0.02 -0.00 -0.04 3.06 3.04 2v4eE1 TYR 38 HB3 0.04 0.02 0.08 -0.04 2.98 3.08 2v4eE1 TYR 38 HD2 0.02 0.00 -0.04 -0.04 7.15 7.09 2v4eE1 TYR 38 HE2 -0.00 0.01 -0.24 -0.04 6.85 6.58 2v4eE1 GLU 39 H 0.16 0.13 -0.16 -0.55 8.60 8.19 2v4eE1 GLU 39 HA 0.11 0.18 0.89 -0.75 4.29 4.71 2v4eE1 GLU 39 HB2 0.14 -0.02 0.13 -0.04 2.09 2.29 2v4eE1 GLU 39 HB3 0.11 0.00 0.05 -0.04 1.99 2.10 2v4eE1 GLU 39 HG2 0.10 0.02 0.03 -0.04 2.34 2.45 2v4eE1 GLU 39 HG3 0.14 -0.05 -0.12 -0.04 2.34 2.26 2v4eE1 GLY 40 H 0.10 0.35 -0.11 -0.55 8.43 8.23 2v4eE1 GLY 40 HA2 0.07 0.14 -0.07 -0.51 4.01 3.64 2v4eE1 GLY 40 HA3 0.04 0.17 0.49 -0.51 4.01 4.19 2v4eE1 THR 41 H 0.08 0.12 0.12 -0.55 8.28 8.05 2v4eE1 THR 41 HA -0.17 0.47 1.12 -0.75 4.39 5.06 2v4eE1 THR 41 HB 0.10 -0.01 0.07 -0.04 4.32 4.45 2v4eE1 THR 41 HG23 0.10 0.02 -0.22 -0.04 1.22 1.08 2v4eE1 GLN 42 H -0.40 0.36 0.33 -0.55 8.47 8.22 2v4eE1 GLN 42 HA -0.14 0.09 0.84 -0.75 4.36 4.39 2v4eE1 GLN 42 HB2 -0.34 0.08 0.01 -0.04 2.15 1.85 2v4eE1 GLN 42 HB3 -0.65 0.03 -0.17 -0.04 2.02 1.18 2v4eE1 GLN 42 HG2 -0.22 0.12 -0.19 -0.04 2.40 2.07 2v4eE1 GLN 42 HG3 -0.14 -0.11 -0.22 -0.04 2.39 1.87 2v4eE1 GLN 42 HE21 -0.01 0.66 -0.09 -0.04 6.97 7.48 2v4eE1 GLN 42 HE22 -0.08 -0.01 -0.22 -0.04 7.69 7.33 2v4eE1 THR 43 H -0.03 0.66 0.49 -0.55 8.28 8.86 2v4eE1 THR 43 HA 0.11 0.32 0.96 -0.75 4.39 5.02 2v4eE1 THR 43 HB 0.09 0.01 0.24 -0.04 4.32 4.62 2v4eE1 THR 43 HG23 0.25 -0.01 0.02 -0.04 1.22 1.43 2v4eE1 ALA 44 H 0.09 0.48 0.42 -0.55 8.40 8.84 2v4eE1 ALA 44 HA -0.09 0.19 0.66 -0.75 4.34 4.34 2v4eE1 ALA 44 HB3 0.22 0.02 -0.06 -0.04 1.41 1.55 2v4eE1 LYS 45 H -0.06 0.71 0.43 -0.55 8.42 8.94 2v4eE1 LYS 45 HA -0.03 0.19 1.05 -0.75 4.32 4.77 2v4eE1 LYS 45 HB2 -0.03 -0.03 0.07 -0.04 1.87 1.84 2v4eE1 LYS 45 HB3 -0.04 -0.03 0.22 -0.04 1.79 1.90 2v4eE1 LYS 45 HG2 -0.05 0.07 -0.11 -0.04 1.46 1.33 2v4eE1 LYS 45 HG3 -0.05 -0.02 -0.01 -0.04 1.46 1.33 2v4eE1 LYS 45 HD2 -0.03 -0.01 -0.03 -0.04 1.69 1.58 2v4eE1 LYS 45 HD3 -0.03 -0.01 -0.04 -0.04 1.68 1.56 2v4eE1 LYS 45 HE2 -0.05 0.01 -0.06 -0.04 2.99 2.85 2v4eE1 LYS 45 HE3 -0.06 -0.02 -0.08 -0.04 2.99 2.78 2v4eE1 LEU 46 H -0.07 0.80 0.42 -0.55 8.37 8.97 2v4eE1 LEU 46 HA -0.06 0.28 1.19 -0.75 4.35 5.00 2v4eE1 LEU 46 HB2 0.05 -0.04 0.02 -0.04 1.64 1.63 2v4eE1 LEU 46 HB3 -0.01 0.00 -0.06 -0.04 1.64 1.54 2v4eE1 LEU 46 HG -1.33 -0.01 -0.19 -0.04 1.64 0.06 2v4eE1 LEU 46 HD13 -0.26 0.05 -0.25 -0.04 0.93 0.43 2v4eE1 LEU 46 HD23 0.07 -0.05 -0.31 -0.04 0.89 0.56 2v4eE1 GLN 47 H 0.02 0.92 0.46 -0.55 8.47 9.32 2v4eE1 GLN 47 HA -0.01 0.28 1.07 -0.75 4.36 4.94 2v4eE1 GLN 47 HB2 -0.01 -0.04 -0.09 -0.04 2.15 1.97 2v4eE1 GLN 47 HB3 0.02 -0.04 0.14 -0.04 2.02 2.09 2v4eE1 GLN 47 HG2 0.02 -0.04 -0.19 -0.04 2.40 2.14 2v4eE1 GLN 47 HG3 0.01 0.19 0.06 -0.04 2.39 2.60 2v4eE1 GLN 47 HE21 -0.01 -0.03 -0.04 -0.04 6.97 6.85 2v4eE1 GLN 47 HE22 0.00 -0.00 -0.05 -0.04 7.69 7.60 2v4eE1 VAL 48 H 0.05 0.67 0.32 -0.55 8.24 8.73 2v4eE1 VAL 48 HA 0.16 0.11 0.84 -0.75 4.13 4.49 2v4eE1 VAL 48 HB 0.07 -0.07 0.25 -0.04 2.12 2.33 2v4eE1 VAL 48 HG13 0.12 -0.02 -0.14 -0.04 0.97 0.89 2v4eE1 VAL 48 HG23 0.21 0.00 0.06 -0.04 0.95 1.18 2v4eE1 THR 49 H 0.10 0.33 0.34 -0.55 8.28 8.50 2v4eE1 THR 49 HA 0.06 0.14 0.77 -0.75 4.39 4.60 2v4eE1 THR 49 HB 0.06 -0.02 0.03 -0.04 4.32 4.36 2v4eE1 THR 49 HG23 0.06 0.02 -0.01 -0.04 1.22 1.24 2v4eE1 LYS 50 H 0.12 0.36 0.27 -0.55 8.42 8.62 2v4eE1 LYS 50 HA 0.08 0.19 0.94 -0.75 4.32 4.78 2v4eE1 LYS 50 HB2 0.09 -0.08 0.10 -0.04 1.87 1.94 2v4eE1 LYS 50 HB3 0.09 0.06 -0.06 -0.04 1.79 1.84 2v4eE1 LYS 50 HG2 0.06 0.07 0.06 -0.04 1.46 1.61 2v4eE1 LYS 50 HG3 0.06 -0.01 -0.16 -0.04 1.46 1.31 2v4eE1 LYS 50 HD2 0.05 -0.01 -0.05 -0.04 1.69 1.64 2v4eE1 LYS 50 HD3 0.05 0.01 -0.02 -0.04 1.68 1.67 2v4eE1 LYS 50 HE2 0.04 0.01 0.00 -0.04 2.99 3.00 2v4eE1 LYS 50 HE3 0.04 0.01 -0.02 -0.04 2.99 2.98 2v4eE1 GLY 51 H 0.10 0.17 0.18 -0.55 8.43 8.34 2v4eE1 GLY 51 HA2 0.18 0.02 0.35 -0.51 4.01 4.05 2v4eE1 GLY 51 HA3 0.26 0.26 0.57 -0.51 4.01 4.60 2v4eE1 GLY 52 H 0.10 -0.03 -0.28 -0.55 8.43 7.67 2v4eE1 GLY 52 HA2 0.03 0.08 0.20 -0.51 4.01 3.81 2v4eE1 GLY 52 HA3 0.05 -0.01 0.11 -0.51 4.01 3.65 2v4eE1 PRO 53 HA -0.01 -0.01 0.34 -0.51 4.44 4.25 2v4eE1 PRO 53 HB2 -0.04 0.15 -0.03 -0.04 2.28 2.33 2v4eE1 PRO 53 HB3 -0.01 -0.04 0.13 -0.04 2.02 2.06 2v4eE1 PRO 53 HG2 -0.01 0.06 0.03 -0.04 2.03 2.07 2v4eE1 PRO 53 HG3 -0.00 -0.02 0.07 -0.04 2.03 2.04 2v4eE1 PRO 53 HD2 0.02 0.14 0.46 -0.04 3.68 4.26 2v4eE1 PRO 53 HD3 0.01 0.00 0.11 -0.04 3.65 3.74 2v4eE1 LEU 54 H -0.12 0.11 0.11 -0.55 8.37 7.93 2v4eE1 LEU 54 HA -0.26 0.29 0.56 -0.75 4.35 4.18 2v4eE1 LEU 54 HB2 -0.45 0.01 0.10 -0.04 1.64 1.25 2v4eE1 LEU 54 HB3 -1.22 -0.05 -0.04 -0.04 1.64 0.28 2v4eE1 LEU 54 HG -0.14 -0.08 -0.02 -0.04 1.64 1.37 2v4eE1 LEU 54 HD13 -0.25 -0.01 -0.08 -0.04 0.93 0.54 2v4eE1 LEU 54 HD23 -0.46 0.05 -0.12 -0.04 0.89 0.31 2v4eE1 PRO 55 HA -0.14 0.14 0.47 -0.51 4.44 4.39 2v4eE1 PRO 55 HB2 -0.08 -0.01 0.16 -0.04 2.28 2.31 2v4eE1 PRO 55 HB3 -0.19 0.02 0.11 -0.04 2.02 1.91 2v4eE1 PRO 55 HG2 -0.08 -0.01 -0.00 -0.04 2.03 1.89 2v4eE1 PRO 55 HG3 -1.15 0.03 0.08 -0.04 2.03 0.94 2v4eE1 PRO 55 HD2 -0.17 0.01 0.13 -0.04 3.68 3.61 2v4eE1 PRO 55 HD3 -0.44 0.35 0.28 -0.04 3.65 3.80 2v4eE1 PHE 56 H -0.65 0.11 -0.60 -0.55 8.34 6.65 2v4eE1 PHE 56 HA -0.16 0.29 0.65 -0.75 4.62 4.64 2v4eE1 PHE 56 HB2 -0.27 -0.16 -0.07 -0.04 3.15 2.61 2v4eE1 PHE 56 HB3 -0.20 0.06 -0.26 -0.04 3.06 2.61 2v4eE1 PHE 56 HD2 -0.23 0.09 -0.26 -0.04 7.28 6.83 2v4eE1 PHE 56 HE2 -0.35 0.04 -0.18 -0.04 7.38 6.85 2v4eE1 PHE 56 HZ -1.36 -0.00 -0.21 -0.04 7.32 5.70 2v4eE1 ALA 57 H 0.04 0.22 0.16 -0.55 8.40 8.28 2v4eE1 ALA 57 HA -0.19 0.15 0.58 -0.75 4.34 4.12 2v4eE1 ALA 57 HB3 -0.08 -0.02 0.14 -0.04 1.41 1.41 2v4eE1 TRP 58 H -0.16 0.26 0.17 -0.55 7.97 7.69 2v4eE1 TRP 58 HA -0.18 0.12 0.29 -0.75 4.62 4.10 2v4eE1 TRP 58 HB2 -0.32 0.13 0.10 -0.04 3.23 3.10 2v4eE1 TRP 58 HB3 -0.34 -0.01 0.07 -0.04 3.23 2.91 2v4eE1 TRP 58 HD1 0.15 -0.02 -0.32 -0.04 7.22 6.99 2v4eE1 TRP 58 HE1 0.26 0.02 -0.19 -0.04 10.20 10.24 2v4eE1 TRP 58 HE3 -0.10 0.07 -0.02 -0.04 7.59 7.50 2v4eE1 TRP 58 HZ2 0.00 0.01 -0.19 -0.04 7.44 7.22 2v4eE1 TRP 58 HZ3 0.00 0.03 -0.10 -0.04 7.13 7.01 2v4eE1 TRP 58 HH2 -0.08 -0.02 -0.20 -0.04 7.19 6.84 2v4eE1 ASP 59 H 0.07 0.11 -0.29 -0.55 8.40 7.74 2v4eE1 ASP 59 HA 0.32 0.05 0.17 -0.75 4.63 4.41 2v4eE1 ASP 59 HB2 -0.10 -0.00 -0.11 -0.04 2.71 2.46 2v4eE1 ASP 59 HB3 -0.37 0.05 -0.13 -0.04 2.70 2.21 2v4eE1 ILE 60 H 0.10 0.32 -0.55 -0.55 8.25 7.57 2v4eE1 ILE 60 HA 0.66 0.09 0.28 -0.75 4.18 4.46 2v4eE1 ILE 60 HB 0.41 0.00 -0.05 -0.04 1.89 2.22 2v4eE1 ILE 60 HG12 0.11 0.22 -0.10 -0.04 1.49 1.68 2v4eE1 ILE 60 HG13 0.08 0.06 -0.44 -0.04 1.21 0.87 2v4eE1 ILE 60 HG23 0.10 -0.02 -0.12 -0.04 0.93 0.85 2v4eE1 ILE 60 HD13 -0.35 -0.03 -0.17 -0.04 0.88 0.30 2v4eE1 LEU 61 H -0.19 0.53 -0.26 -0.55 8.37 7.91 2v4eE1 LEU 61 HA -0.27 0.13 0.60 -0.75 4.35 4.06 2v4eE1 LEU 61 HB2 -1.05 0.08 -0.07 -0.04 1.64 0.56 2v4eE1 LEU 61 HB3 -0.71 -0.04 -0.12 -0.04 1.64 0.72 2v4eE1 LEU 61 HG -0.23 -0.03 -0.15 -0.04 1.64 1.18 2v4eE1 LEU 61 HD13 -0.69 -0.00 -0.14 -0.04 0.93 0.05 2v4eE1 LEU 61 HD23 -0.60 0.00 -0.23 -0.04 0.89 0.02 2v4eE1 SER 62 H -0.07 0.23 -0.23 -0.55 8.46 7.85 2v4eE1 SER 62 HA 0.39 -0.02 0.05 -0.75 4.49 4.16 2v4eE1 SER 62 HB2 0.45 -0.02 -0.11 -0.04 3.95 4.22 2v4eE1 SER 62 HB3 0.46 -0.05 -0.09 -0.04 3.93 4.20 2v4eE1 PRO 63 HA -0.01 0.13 0.46 -0.51 4.44 4.51 2v4eE1 PRO 63 HB2 0.13 0.04 -0.21 -0.04 2.28 2.21 2v4eE1 PRO 63 HB3 -0.17 0.01 -0.06 -0.04 2.02 1.75 2v4eE1 PRO 63 HG2 -0.30 0.02 -0.16 -0.04 2.03 1.55 2v4eE1 PRO 63 HG3 -0.48 -0.01 -0.16 -0.04 2.03 1.34 2v4eE1 PRO 63 HD2 0.24 0.20 -0.56 -0.04 3.68 3.52 2v4eE1 PRO 63 HD3 0.42 0.16 -0.12 -0.04 3.65 4.07 2v4eE1 GLN 64 H -0.13 0.60 -0.45 -0.55 8.47 7.95 2v4eE1 GLN 64 HA 0.29 0.17 0.66 -0.75 4.36 4.72 2v4eE1 GLN 64 HB2 -0.38 -0.01 -0.17 -0.04 2.15 1.54 2v4eE1 GLN 64 HB3 0.23 -0.06 -0.07 -0.04 2.02 2.08 2v4eE1 GLN 64 HG2 -0.07 0.25 -0.07 -0.04 2.40 2.48 2v4eE1 GLN 64 HG3 0.25 -0.09 -0.12 -0.04 2.39 2.39 2v4eE1 GLN 64 HE21 0.08 -0.08 -0.25 -0.04 6.97 6.68 2v4eE1 GLN 64 HE22 0.32 0.39 -0.11 -0.04 7.69 8.25 2v4eE1 PHE 65 H -0.07 0.14 -0.32 -0.55 8.34 7.54 2v4eE1 PHE 65 HA 0.22 0.11 0.16 -0.75 4.62 4.35 2v4eE1 PHE 65 HB2 0.21 0.17 -0.06 -0.04 3.15 3.43 2v4eE1 PHE 65 HB3 0.29 -0.04 -0.13 -0.04 3.06 3.15 2v4eE1 PHE 65 HD2 0.20 0.02 -0.26 -0.04 7.28 7.19 2v4eE1 PHE 65 HE2 -0.35 -0.03 -0.28 -0.04 7.38 6.68 2v4eE1 PHE 65 HZ -0.05 -0.03 -0.22 -0.04 7.32 6.99 2v4eE1 SER 69 HA -0.22 -0.07 0.18 -0.75 4.49 3.62 2v4eE1 SER 69 HB2 -0.22 0.17 -1.24 -0.04 3.95 2.61 2v4eE1 SER 69 HB3 -0.10 -0.00 -0.34 -0.04 3.93 3.44 2v4eE1 LYS 70 H -0.05 0.15 -0.06 -0.55 8.42 7.89 2v4eE1 LYS 70 HA -0.07 0.24 0.13 -0.75 4.32 3.86 2v4eE1 LYS 70 HB2 -0.22 -0.04 -0.12 -0.04 1.87 1.45 2v4eE1 LYS 70 HB3 -0.24 -0.02 -0.10 -0.04 1.79 1.40 2v4eE1 LYS 70 HG2 -0.25 0.10 -0.23 -0.04 1.46 1.04 2v4eE1 LYS 70 HG3 -0.26 -0.02 -0.18 -0.04 1.46 0.96 2v4eE1 LYS 70 HD2 -0.18 -0.05 -0.20 -0.04 1.69 1.22 2v4eE1 LYS 70 HD3 -0.13 0.08 -0.24 -0.04 1.68 1.34 2v4eE1 LYS 70 HE2 -0.20 0.06 -0.24 -0.04 2.99 2.57 2v4eE1 LYS 70 HE3 -0.20 -0.04 -0.21 -0.04 2.99 2.50 2v4eE1 VAL 71 H 0.04 0.07 -0.42 -0.55 8.24 7.38 2v4eE1 VAL 71 HA -0.15 0.00 0.38 -0.75 4.13 3.61 2v4eE1 VAL 71 HB 0.09 -0.01 -0.10 -0.04 2.12 2.05 2v4eE1 VAL 71 HG13 -0.92 0.01 -0.29 -0.04 0.97 -0.27 2v4eE1 VAL 71 HG23 -0.11 -0.01 -0.17 -0.04 0.95 0.61 2v4eE1 TYR 72 H 0.14 0.25 -0.52 -0.55 8.29 7.62 2v4eE1 TYR 72 HA -0.08 0.05 0.60 -0.75 4.56 4.38 2v4eE1 TYR 72 HB2 -0.06 0.19 -0.02 -0.04 3.06 3.14 2v4eE1 TYR 72 HB3 -0.04 -0.05 -0.16 -0.04 2.98 2.69 2v4eE1 TYR 72 HD2 -0.05 0.04 -0.38 -0.04 7.15 6.72 2v4eE1 TYR 72 HE2 -0.01 0.04 -0.22 -0.04 6.85 6.62 2v4eE1 THR 73 H -0.03 0.43 -0.19 -0.55 8.28 7.93 2v4eE1 THR 73 HA 0.03 0.24 0.59 -0.75 4.39 4.48 2v4eE1 THR 73 HB -0.02 0.00 -0.12 -0.04 4.32 4.14 2v4eE1 THR 73 HG23 -0.03 -0.10 -0.33 -0.04 1.22 0.72 2v4eE1 LYS 74 H 0.03 0.50 0.20 -0.55 8.42 8.59 2v4eE1 LYS 74 HA 0.10 0.11 0.45 -0.75 4.32 4.22 2v4eE1 LYS 74 HB2 0.06 0.05 -0.34 -0.04 1.87 1.60 2v4eE1 LYS 74 HB3 0.02 -0.10 0.19 -0.04 1.79 1.86 2v4eE1 LYS 74 HG2 0.05 -0.06 -0.20 -0.04 1.46 1.21 2v4eE1 LYS 74 HG3 0.09 0.30 0.11 -0.04 1.46 1.92 2v4eE1 LYS 74 HD2 0.06 0.11 0.05 -0.04 1.69 1.86 2v4eE1 LYS 74 HD3 0.03 -0.07 -0.01 -0.04 1.68 1.59 2v4eE1 LYS 74 HE2 0.05 -0.02 -0.02 -0.04 2.99 2.96 2v4eE1 LYS 74 HE3 0.06 -0.00 0.05 -0.04 2.99 3.06 2v4eE1 HIS 75 H 0.19 0.20 0.28 -0.55 8.41 8.54 2v4eE1 HIS 75 HA -0.04 0.13 0.91 -0.75 4.63 4.87 2v4eE1 HIS 75 HB2 -0.02 -0.06 0.16 -0.04 3.26 3.31 2v4eE1 HIS 75 HB3 -0.06 0.23 -0.02 -0.04 3.20 3.31 2v4eE1 HIS 75 HD2 -0.20 0.23 -0.22 -0.04 6.97 6.73 2v4eE1 HIS 75 HE1 -0.09 0.00 -0.12 -0.04 7.75 7.49 2v4eE1 PRO 76 HA 0.04 0.11 0.68 -0.51 4.44 4.77 2v4eE1 PRO 76 HB2 0.03 -0.14 0.02 -0.04 2.28 2.15 2v4eE1 PRO 76 HB3 0.02 0.07 0.13 -0.04 2.02 2.20 2v4eE1 PRO 76 HG2 -0.12 -0.07 -0.03 -0.04 2.03 1.77 2v4eE1 PRO 76 HG3 -0.09 -0.00 0.02 -0.04 2.03 1.92 2v4eE1 PRO 76 HD2 -0.19 0.07 0.12 -0.04 3.68 3.63 2v4eE1 PRO 76 HD3 -0.07 0.37 0.08 -0.04 3.65 3.98 2v4eE1 ALA 77 H 0.04 0.12 0.14 -0.55 8.40 8.15 2v4eE1 ALA 77 HA 0.04 0.12 0.30 -0.75 4.34 4.05 2v4eE1 ALA 77 HB3 0.03 -0.00 0.09 -0.04 1.41 1.48 2v4eE1 ASP 78 H 0.05 0.00 -0.27 -0.55 8.40 7.63 2v4eE1 ASP 78 HA 0.04 0.15 0.30 -0.75 4.63 4.36 2v4eE1 ASP 78 HB2 0.09 0.02 0.10 -0.04 2.71 2.88 2v4eE1 ASP 78 HB3 0.07 -0.03 0.02 -0.04 2.70 2.72 2v4eE1 ILE 79 H -0.02 0.33 -0.49 -0.55 8.25 7.52 2v4eE1 ILE 79 HA -0.10 0.16 0.89 -0.75 4.18 4.38 2v4eE1 ILE 79 HB -0.17 0.04 0.04 -0.04 1.89 1.77 2v4eE1 ILE 79 HG12 -0.40 0.04 -0.15 -0.04 1.49 0.94 2v4eE1 ILE 79 HG13 -0.29 -0.14 -0.20 -0.04 1.21 0.54 2v4eE1 ILE 79 HG23 -0.67 0.02 -0.17 -0.04 0.93 0.07 2v4eE1 ILE 79 HD13 -0.61 -0.00 -0.19 -0.04 0.88 0.04 2v4eE1 PRO 80 HA -0.04 0.01 0.25 -0.51 4.44 4.16 2v4eE1 PRO 80 HB2 -0.02 0.00 -0.24 -0.04 2.28 1.99 2v4eE1 PRO 80 HB3 -0.01 0.02 -0.14 -0.04 2.02 1.85 2v4eE1 PRO 80 HG2 -0.01 0.15 -0.14 -0.04 2.03 1.99 2v4eE1 PRO 80 HG3 -0.00 0.03 -0.04 -0.04 2.03 1.98 2v4eE1 PRO 80 HD2 -0.08 -0.05 0.20 -0.04 3.68 3.71 2v4eE1 PRO 80 HD3 -0.02 0.36 0.12 -0.04 3.65 4.07 2v4eE1 ASP 81 H -0.12 0.13 0.08 -0.55 8.40 7.95 2v4eE1 ASP 81 HA -0.59 0.17 0.72 -0.75 4.63 4.18 2v4eE1 ASP 81 HB2 -0.42 0.16 0.12 -0.04 2.71 2.53 2v4eE1 ASP 81 HB3 -0.23 -0.08 0.23 -0.04 2.70 2.59 2v4eE1 TYR 82 H -0.02 0.37 -0.00 -0.55 8.29 8.09 2v4eE1 TYR 82 HA -0.12 0.13 0.18 -0.75 4.56 3.99 2v4eE1 TYR 82 HB2 -0.09 0.12 0.06 -0.04 3.06 3.10 2v4eE1 TYR 82 HB3 -0.17 -0.06 0.04 -0.04 2.98 2.75 2v4eE1 TYR 82 HD2 -0.13 0.09 -0.23 -0.04 7.15 6.83 2v4eE1 TYR 82 HE2 0.01 0.03 -0.24 -0.04 6.85 6.60 2v4eE1 LYS 83 H -0.22 0.11 -0.29 -0.55 8.42 7.47 2v4eE1 LYS 83 HA -0.63 0.09 0.23 -0.75 4.32 3.26 2v4eE1 LYS 83 HB2 -0.37 0.07 -0.08 -0.04 1.87 1.45 2v4eE1 LYS 83 HB3 -0.66 -0.02 -0.18 -0.04 1.79 0.88 2v4eE1 LYS 83 HG2 -1.56 -0.01 -0.19 -0.04 1.46 -0.34 2v4eE1 LYS 83 HG3 -0.43 -0.04 -0.17 -0.04 1.46 0.79 2v4eE1 LYS 83 HD2 -0.45 -0.02 -0.47 -0.04 1.69 0.70 2v4eE1 LYS 83 HD3 -0.71 -0.01 -0.23 -0.04 1.68 0.70 2v4eE1 LYS 83 HE2 -0.61 0.02 -0.19 -0.04 2.99 2.17 2v4eE1 LYS 83 HE3 -0.50 -0.04 -0.15 -0.04 2.99 2.25 2v4eE1 LYS 84 H -0.21 0.11 -0.17 -0.55 8.42 7.59 2v4eE1 LYS 84 HA 0.13 0.05 0.55 -0.75 4.32 4.30 2v4eE1 LYS 84 HB2 -0.16 0.04 0.14 -0.04 1.87 1.85 2v4eE1 LYS 84 HB3 -0.05 -0.01 -0.03 -0.04 1.79 1.65 2v4eE1 LYS 84 HG2 -0.18 -0.05 0.03 -0.04 1.46 1.21 2v4eE1 LYS 84 HG3 -0.22 0.07 0.07 -0.04 1.46 1.34 2v4eE1 LYS 84 HD2 -0.23 -0.00 0.03 -0.04 1.69 1.45 2v4eE1 LYS 84 HD3 -0.37 -0.07 -0.03 -0.04 1.68 1.17 2v4eE1 LYS 84 HE2 -0.98 -0.10 -0.18 -0.04 2.99 1.69 2v4eE1 LYS 84 HE3 -0.57 -0.08 -0.09 -0.04 2.99 2.21 2v4eE1 LEU 85 H -0.11 0.58 -0.09 -0.55 8.37 8.21 2v4eE1 LEU 85 HA -0.01 0.03 0.35 -0.75 4.35 3.97 2v4eE1 LEU 85 HB2 -0.11 0.10 -0.02 -0.04 1.64 1.56 2v4eE1 LEU 85 HB3 -0.06 -0.03 0.08 -0.04 1.64 1.59 2v4eE1 LEU 85 HG -0.06 0.03 0.04 -0.04 1.64 1.61 2v4eE1 LEU 85 HD13 -0.03 -0.03 -0.13 -0.04 0.93 0.70 2v4eE1 LEU 85 HD23 -0.01 -0.01 0.01 -0.04 0.89 0.84 2v4eE1 SER 86 H -0.16 0.12 -0.79 -0.55 8.46 7.09 2v4eE1 SER 86 HA -0.19 0.11 0.51 -0.75 4.49 4.17 2v4eE1 SER 86 HB2 -0.27 0.03 0.04 -0.04 3.95 3.71 2v4eE1 SER 86 HB3 -0.45 0.11 0.05 -0.04 3.93 3.60 2v4eE1 PHE 87 H 0.13 0.32 -0.19 -0.55 8.34 8.05 2v4eE1 PHE 87 HA 0.07 -0.16 0.32 -0.75 4.62 4.08 2v4eE1 PHE 87 HB2 0.07 0.16 0.04 -0.04 3.15 3.38 2v4eE1 PHE 87 HB3 0.09 -0.04 -0.03 -0.04 3.06 3.04 2v4eE1 PHE 87 HD2 0.12 0.12 -0.03 -0.04 7.28 7.45 2v4eE1 PHE 87 HE2 0.22 -0.03 -0.28 -0.04 7.38 7.24 2v4eE1 PHE 87 HZ 0.15 -0.03 -0.16 -0.04 7.32 7.24 2v4eE1 PRO 88 HA 0.37 0.02 0.28 -0.51 4.44 4.60 2v4eE1 PRO 88 HB2 0.10 0.05 0.02 -0.04 2.28 2.41 2v4eE1 PRO 88 HB3 0.09 -0.01 0.09 -0.04 2.02 2.15 2v4eE1 PRO 88 HG2 0.06 0.04 0.02 -0.04 2.03 2.11 2v4eE1 PRO 88 HG3 0.05 0.01 0.08 -0.04 2.03 2.13 2v4eE1 PRO 88 HD2 0.05 0.15 0.03 -0.04 3.68 3.87 2v4eE1 PRO 88 HD3 0.07 0.08 0.40 -0.04 3.65 4.17 2v4eE1 GLU 89 H 0.04 0.28 0.06 -0.55 8.60 8.44 2v4eE1 GLU 89 HA 0.03 0.03 0.54 -0.75 4.29 4.14 2v4eE1 GLU 89 HB2 -0.05 0.21 0.14 -0.04 2.09 2.34 2v4eE1 GLU 89 HB3 -0.03 0.01 0.00 -0.04 1.99 1.94 2v4eE1 GLU 89 HG2 -0.00 0.03 0.01 -0.04 2.34 2.33 2v4eE1 GLU 89 HG3 0.02 -0.06 0.04 -0.04 2.34 2.29 2v4eE1 GLY 90 H -0.26 0.32 -0.29 -0.55 8.43 7.65 2v4eE1 GLY 90 HA2 -1.57 -0.05 0.08 -0.51 4.01 1.96 2v4eE1 GLY 90 HA3 -0.43 0.33 0.69 -0.51 4.01 4.09 2v4eE1 PHE 91 H -0.31 0.44 0.33 -0.55 8.34 8.25 2v4eE1 PHE 91 HA -0.11 0.13 0.90 -0.75 4.62 4.78 2v4eE1 PHE 91 HB2 -0.00 0.04 -0.27 -0.04 3.15 2.88 2v4eE1 PHE 91 HB3 -0.23 -0.01 -0.30 -0.04 3.06 2.48 2v4eE1 PHE 91 HD2 -0.07 0.04 -0.23 -0.04 7.28 6.97 2v4eE1 PHE 91 HE2 0.27 0.00 -0.19 -0.04 7.38 7.42 2v4eE1 PHE 91 HZ 0.03 -0.12 -0.18 -0.04 7.32 7.00 2v4eE1 LYS 92 H 0.15 0.70 0.34 -0.55 8.42 9.05 2v4eE1 LYS 92 HA -0.22 0.17 0.99 -0.75 4.32 4.51 2v4eE1 LYS 92 HB2 0.01 -0.06 0.13 -0.04 1.87 1.90 2v4eE1 LYS 92 HB3 -0.10 0.13 0.22 -0.04 1.79 2.00 2v4eE1 LYS 92 HG2 -0.08 -0.00 -0.02 -0.04 1.46 1.31 2v4eE1 LYS 92 HG3 -0.02 0.04 -0.03 -0.04 1.46 1.41 2v4eE1 LYS 92 HD2 -0.03 -0.02 -0.01 -0.04 1.69 1.59 2v4eE1 LYS 92 HD3 -0.07 0.01 0.01 -0.04 1.68 1.58 2v4eE1 LYS 92 HE2 -0.04 0.01 -0.03 -0.04 2.99 2.90 2v4eE1 LYS 92 HE3 -0.02 0.00 -0.03 -0.04 2.99 2.90 2v4eE1 TRP 93 H -0.30 0.37 0.23 -0.55 7.97 7.72 2v4eE1 TRP 93 HA 0.03 0.34 0.97 -0.75 4.62 5.21 2v4eE1 TRP 93 HB2 0.01 0.09 0.06 -0.04 3.23 3.35 2v4eE1 TRP 93 HB3 0.47 -0.08 -0.06 -0.04 3.23 3.52 2v4eE1 TRP 93 HD1 -0.09 -0.06 -0.20 -0.04 7.22 6.83 2v4eE1 TRP 93 HE1 -0.28 0.05 -0.21 -0.04 10.20 9.72 2v4eE1 TRP 93 HE3 -0.09 0.06 -0.58 -0.04 7.59 6.94 2v4eE1 TRP 93 HZ2 -0.11 0.27 -0.15 -0.04 7.44 7.41 2v4eE1 TRP 93 HZ3 -0.09 -0.06 -0.26 -0.04 7.13 6.67 2v4eE1 TRP 93 HH2 -0.05 -0.04 -0.13 -0.04 7.19 6.93 2v4eE1 GLU 94 H 0.11 0.52 0.39 -0.55 8.60 9.07 2v4eE1 GLU 94 HA -0.05 0.32 0.93 -0.75 4.29 4.73 2v4eE1 GLU 94 HB2 -0.03 -0.05 0.12 -0.04 2.09 2.09 2v4eE1 GLU 94 HB3 -0.05 -0.01 0.19 -0.04 1.99 2.08 2v4eE1 GLU 94 HG2 -0.14 0.08 0.37 -0.04 2.34 2.62 2v4eE1 GLU 94 HG3 -0.11 -0.05 -0.19 -0.04 2.34 1.94 2v4eE1 ARG 95 H -0.01 0.43 0.41 -0.55 8.46 8.74 2v4eE1 ARG 95 HA -0.05 0.31 1.13 -0.75 4.34 4.98 2v4eE1 ARG 95 HB2 0.18 0.04 -0.29 -0.04 1.90 1.79 2v4eE1 ARG 95 HB3 0.21 -0.07 -0.10 -0.04 1.80 1.81 2v4eE1 ARG 95 HG2 -0.25 -0.11 -0.48 -0.04 1.67 0.78 2v4eE1 ARG 95 HG3 -0.21 0.12 -0.08 -0.04 1.67 1.45 2v4eE1 ARG 95 HD2 -0.08 -0.01 -0.24 -0.04 3.22 2.85 2v4eE1 ARG 95 HD3 -0.92 -0.04 -0.22 -0.04 3.22 2.00 2v4eE1 VAL 96 H -0.11 0.68 0.42 -0.55 8.24 8.68 2v4eE1 VAL 96 HA -0.12 0.28 0.95 -0.75 4.13 4.48 2v4eE1 VAL 96 HB -0.09 -0.08 0.15 -0.04 2.12 2.06 2v4eE1 VAL 96 HG13 -0.07 0.00 -0.05 -0.04 0.97 0.81 2v4eE1 VAL 96 HG23 -0.07 0.00 -0.01 -0.04 0.95 0.84 2v4eE1 MET 97 H -0.15 0.57 0.25 -0.55 8.47 8.58 2v4eE1 MET 97 HA -0.32 0.35 1.05 -0.75 4.52 4.84 2v4eE1 MET 97 HB2 -0.03 -0.10 0.14 -0.04 2.15 2.12 2v4eE1 MET 97 HB3 -0.22 -0.02 -0.08 -0.04 2.03 1.67 2v4eE1 MET 97 HG2 -1.33 0.02 -0.11 -0.04 2.63 1.18 2v4eE1 MET 97 HG3 -0.66 -0.03 -0.30 -0.04 2.56 1.53 2v4eE1 MET 97 HE3 0.43 -0.01 -0.13 -0.04 2.10 2.35 2v4eE1 ASN 98 H -0.13 0.61 0.21 -0.55 8.53 8.67 2v4eE1 ASN 98 HA 0.00 0.24 1.07 -0.75 4.76 5.32 2v4eE1 ASN 98 HB2 -0.04 -0.09 0.19 -0.04 2.88 2.89 2v4eE1 ASN 98 HB3 -0.02 0.05 -0.00 -0.04 2.79 2.78 2v4eE1 ASN 98 HD21 -0.04 0.00 -0.08 -0.04 7.03 6.88 2v4eE1 ASN 98 HD22 -0.03 -0.03 -0.05 -0.04 7.74 7.59 2v4eE1 PHE 99 H 0.28 0.74 0.20 -0.55 8.34 9.00 2v4eE1 PHE 99 HA -0.10 0.21 0.95 -0.75 4.62 4.93 2v4eE1 PHE 99 HB2 -0.10 0.04 0.14 -0.04 3.15 3.19 2v4eE1 PHE 99 HB3 -0.08 -0.12 0.08 -0.04 3.06 2.90 2v4eE1 PHE 99 HD2 -0.32 0.12 -0.19 -0.04 7.28 6.85 2v4eE1 PHE 99 HE2 0.24 0.00 -0.20 -0.04 7.38 7.38 2v4eE1 PHE 99 HZ 0.43 0.05 -0.16 -0.04 7.32 7.60 2v4eE1 GLU 100 H -0.05 0.52 0.24 -0.55 8.60 8.78 2v4eE1 GLU 100 HA 0.03 0.10 0.33 -0.75 4.29 4.00 2v4eE1 GLU 100 HB2 0.06 0.03 0.09 -0.04 2.09 2.24 2v4eE1 GLU 100 HB3 0.02 0.01 0.13 -0.04 1.99 2.11 2v4eE1 GLU 100 HG2 -0.01 0.11 0.25 -0.04 2.34 2.65 2v4eE1 GLU 100 HG3 0.22 0.00 0.04 -0.04 2.34 2.56 2v4eE1 ASP 101 H 0.25 0.03 -0.26 -0.55 8.40 7.86 2v4eE1 ASP 101 HA 0.08 0.23 0.75 -0.75 4.63 4.93 2v4eE1 ASP 101 HB2 0.08 0.03 0.23 -0.04 2.71 3.01 2v4eE1 ASP 101 HB3 0.19 -0.00 0.09 -0.04 2.70 2.94 2v4eE1 GLY 102 H 0.04 0.45 -0.39 -0.55 8.43 7.98 2v4eE1 GLY 102 HA2 -0.03 0.01 0.30 -0.51 4.01 3.78 2v4eE1 GLY 102 HA3 -0.05 0.13 0.64 -0.51 4.01 4.21 2v4eE1 GLY 103 H -0.19 -0.07 -0.35 -0.55 8.43 7.27 2v4eE1 GLY 103 HA2 -0.91 0.19 0.36 -0.51 4.01 3.14 2v4eE1 GLY 103 HA3 -1.36 -0.14 0.22 -0.51 4.01 2.22 2v4eE1 VAL 104 H -0.31 0.55 0.42 -0.55 8.24 8.35 2v4eE1 VAL 104 HA 0.04 0.30 1.03 -0.75 4.13 4.75 2v4eE1 VAL 104 HB -0.07 -0.09 0.13 -0.04 2.12 2.05 2v4eE1 VAL 104 HG13 -0.05 -0.00 -0.02 -0.04 0.97 0.86 2v4eE1 VAL 104 HG23 -0.06 0.09 -0.09 -0.04 0.95 0.85 2v4eE1 VAL 105 H 0.01 0.53 0.39 -0.55 8.24 8.63 2v4eE1 VAL 105 HA -0.14 0.33 1.12 -0.75 4.13 4.69 2v4eE1 VAL 105 HB -0.14 -0.07 0.04 -0.04 2.12 1.91 2v4eE1 VAL 105 HG13 -1.09 0.01 -0.23 -0.04 0.97 -0.38 2v4eE1 VAL 105 HG23 0.22 -0.03 -0.18 -0.04 0.95 0.92 2v4eE1 THR 106 H -0.20 0.41 0.36 -0.55 8.28 8.30 2v4eE1 THR 106 HA -0.15 0.34 0.62 -0.75 4.39 4.44 2v4eE1 THR 106 HB -0.10 0.02 0.21 -0.04 4.32 4.41 2v4eE1 THR 106 HG23 -0.08 -0.01 0.10 -0.04 1.22 1.19 2v4eE1 VAL 107 H -0.12 0.44 0.36 -0.55 8.24 8.37 2v4eE1 VAL 107 HA -0.14 0.30 1.12 -0.75 4.13 4.66 2v4eE1 VAL 107 HB 0.09 -0.06 -0.02 -0.04 2.12 2.09 2v4eE1 VAL 107 HG13 -0.05 0.02 -0.13 -0.04 0.97 0.77 2v4eE1 VAL 107 HG23 -0.19 -0.01 -0.40 -0.04 0.95 0.31 2v4eE1 THR 108 H -0.20 0.81 0.48 -0.55 8.28 8.83 2v4eE1 THR 108 HA -0.31 0.19 0.97 -0.75 4.39 4.49 2v4eE1 THR 108 HB -0.13 -0.03 -0.04 -0.04 4.32 4.08 2v4eE1 THR 108 HG23 -0.12 0.00 0.03 -0.04 1.22 1.09 2v4eE1 GLN 109 H -0.51 0.38 0.33 -0.55 8.47 8.13 2v4eE1 GLN 109 HA -0.43 0.38 1.19 -0.75 4.36 4.75 2v4eE1 GLN 109 HB2 -2.07 -0.03 -0.17 -0.04 2.15 -0.16 2v4eE1 GLN 109 HB3 -2.07 -0.15 0.07 -0.04 2.02 -0.16 2v4eE1 GLN 109 HG2 -0.38 0.08 -0.13 -0.04 2.40 1.93 2v4eE1 GLN 109 HG3 -0.54 0.07 -0.13 -0.04 2.39 1.76 2v4eE1 GLN 109 HE21 -0.86 -0.07 -0.15 -0.04 6.97 5.85 2v4eE1 GLN 109 HE22 -0.23 0.09 -0.17 -0.04 7.69 7.34 2v4eE1 ASP 110 H -0.17 0.56 0.43 -0.55 8.40 8.68 2v4eE1 ASP 110 HA -0.21 0.18 1.09 -0.75 4.63 4.94 2v4eE1 ASP 110 HB2 -0.05 -0.02 0.08 -0.04 2.71 2.68 2v4eE1 ASP 110 HB3 0.04 -0.06 0.19 -0.04 2.70 2.82 2v4eE1 SER 111 H -0.25 0.67 0.37 -0.55 8.46 8.70 2v4eE1 SER 111 HA 0.16 0.33 1.07 -0.75 4.49 5.30 2v4eE1 SER 111 HB2 -0.89 0.06 0.18 -0.04 3.95 3.26 2v4eE1 SER 111 HB3 0.07 -0.06 0.01 -0.04 3.93 3.91 2v4eE1 SER 112 H 0.17 0.63 0.38 -0.55 8.46 9.09 2v4eE1 SER 112 HA 0.23 0.30 0.94 -0.75 4.49 5.21 2v4eE1 SER 112 HB2 0.11 0.04 0.12 -0.04 3.95 4.17 2v4eE1 SER 112 HB3 0.07 0.03 -0.01 -0.04 3.93 3.97 2v4eE1 LEU 113 H 0.27 0.43 0.18 -0.55 8.37 8.70 2v4eE1 LEU 113 HA 0.09 0.13 0.89 -0.75 4.35 4.71 2v4eE1 LEU 113 HB2 0.20 -0.01 -0.06 -0.04 1.64 1.73 2v4eE1 LEU 113 HB3 0.20 0.14 0.18 -0.04 1.64 2.12 2v4eE1 LEU 113 HG -0.05 -0.12 -0.18 -0.04 1.64 1.25 2v4eE1 LEU 113 HD13 -0.38 -0.02 -0.24 -0.04 0.93 0.24 2v4eE1 LEU 113 HD23 -0.19 0.01 -0.04 -0.04 0.89 0.64 2v4eE1 GLN 114 H -0.01 0.50 0.07 -0.55 8.47 8.48 2v4eE1 GLN 114 HA 0.02 0.10 0.86 -0.75 4.36 4.58 2v4eE1 GLN 114 HB2 0.04 -0.01 -0.21 -0.04 2.15 1.92 2v4eE1 GLN 114 HB3 0.01 0.06 0.12 -0.04 2.02 2.18 2v4eE1 GLN 114 HG2 0.02 -0.02 -0.04 -0.04 2.40 2.31 2v4eE1 GLN 114 HG3 0.03 0.03 0.04 -0.04 2.39 2.45 2v4eE1 GLN 114 HE21 0.05 -0.01 -0.04 -0.04 6.97 6.93 2v4eE1 GLN 114 HE22 0.04 0.01 -0.09 -0.04 7.69 7.61 2v4eE1 ASP 115 H -0.01 0.19 0.13 -0.55 8.40 8.16 2v4eE1 ASP 115 HA -0.02 0.03 0.34 -0.75 4.63 4.23 2v4eE1 ASP 115 HB2 -0.01 0.07 -0.26 -0.04 2.71 2.48 2v4eE1 ASP 115 HB3 -0.02 0.03 0.29 -0.04 2.70 2.96 2v4eE1 GLY 116 H -0.07 0.04 -0.24 -0.55 8.43 7.62 2v4eE1 GLY 116 HA2 -0.17 0.02 0.27 -0.51 4.01 3.62 2v4eE1 GLY 116 HA3 -0.10 0.09 0.46 -0.51 4.01 3.95 2v4eE1 THR 117 H -0.10 0.34 -0.48 -0.55 8.28 7.49 2v4eE1 THR 117 HA -0.22 0.17 0.78 -0.75 4.39 4.37 2v4eE1 THR 117 HB -0.05 -0.05 0.10 -0.04 4.32 4.28 2v4eE1 THR 117 HG23 -0.03 0.04 -0.03 -0.04 1.22 1.16 2v4eE1 PHE 118 H -0.14 0.57 0.34 -0.55 8.34 8.56 2v4eE1 PHE 118 HA -0.06 0.10 0.53 -0.75 4.62 4.43 2v4eE1 PHE 118 HB2 -0.13 -0.05 0.17 -0.04 3.15 3.10 2v4eE1 PHE 118 HB3 -0.23 0.03 -0.00 -0.04 3.06 2.82 2v4eE1 PHE 118 HD2 -0.09 0.06 -0.16 -0.04 7.28 7.05 2v4eE1 PHE 118 HE2 -1.20 -0.01 -0.12 -0.04 7.38 6.01 2v4eE1 PHE 118 HZ -0.53 -0.01 -0.08 -0.04 7.32 6.66 2v4eE1 ILE 119 H 0.15 0.89 0.48 -0.55 8.25 9.22 2v4eE1 ILE 119 HA -0.03 0.23 1.15 -0.75 4.18 4.78 2v4eE1 ILE 119 HB -0.01 -0.09 0.13 -0.04 1.89 1.88 2v4eE1 ILE 119 HG12 0.03 0.04 -0.06 -0.04 1.49 1.46 2v4eE1 ILE 119 HG13 0.02 -0.06 -0.03 -0.04 1.21 1.10 2v4eE1 ILE 119 HG23 -0.19 -0.01 -0.07 -0.04 0.93 0.62 2v4eE1 ILE 119 HD13 0.01 0.04 -0.04 -0.04 0.88 0.85 2v4eE1 TYR 120 H 0.06 0.77 0.44 -0.55 8.29 9.02 2v4eE1 TYR 120 HA -0.06 0.37 1.15 -0.75 4.56 5.27 2v4eE1 TYR 120 HB2 0.18 -0.06 0.25 -0.04 3.06 3.39 2v4eE1 TYR 120 HB3 0.10 0.04 -0.02 -0.04 2.98 3.05 2v4eE1 TYR 120 HD2 -0.01 0.10 -0.18 -0.04 7.15 7.02 2v4eE1 TYR 120 HE2 -0.77 -0.01 -0.11 -0.04 6.85 5.92 2v4eE1 HIS 121 H 0.03 0.59 0.39 -0.55 8.41 8.87 2v4eE1 HIS 121 HA 0.16 0.26 1.10 -0.75 4.63 5.39 2v4eE1 HIS 121 HB2 -0.00 -0.07 0.26 -0.04 3.26 3.41 2v4eE1 HIS 121 HB3 0.03 0.01 0.08 -0.04 3.20 3.28 2v4eE1 HIS 121 HD2 0.01 -0.01 -0.02 -0.04 6.97 6.91 2v4eE1 HIS 121 HE1 -0.03 -0.02 -0.03 -0.04 7.75 7.63 2v4eE1 VAL 122 H 0.20 0.70 0.37 -0.55 8.24 8.95 2v4eE1 VAL 122 HA -0.15 0.24 1.16 -0.75 4.13 4.61 2v4eE1 VAL 122 HB 0.08 -0.11 0.05 -0.04 2.12 2.10 2v4eE1 VAL 122 HG13 -0.06 -0.01 -0.19 -0.04 0.97 0.67 2v4eE1 VAL 122 HG23 0.07 0.02 -0.20 -0.04 0.95 0.81 2v4eE1 LYS 123 H -0.13 0.86 0.50 -0.55 8.42 9.09 2v4eE1 LYS 123 HA 0.01 0.35 0.96 -0.75 4.32 4.89 2v4eE1 LYS 123 HB2 -0.06 0.02 0.13 -0.04 1.87 1.91 2v4eE1 LYS 123 HB3 -0.04 -0.06 0.03 -0.04 1.79 1.68 2v4eE1 LYS 123 HG2 -0.01 0.10 0.22 -0.04 1.46 1.73 2v4eE1 LYS 123 HG3 0.01 0.02 -0.15 -0.04 1.46 1.29 2v4eE1 LYS 123 HD2 -0.04 -0.01 -0.04 -0.04 1.69 1.56 2v4eE1 LYS 123 HD3 -0.03 -0.03 -0.01 -0.04 1.68 1.57 2v4eE1 LYS 123 HE2 -0.00 -0.01 0.01 -0.04 2.99 2.95 2v4eE1 LYS 123 HE3 -0.01 0.01 -0.04 -0.04 2.99 2.91 2v4eE1 PHE 124 H 0.06 0.38 0.29 -0.55 8.34 8.51 2v4eE1 PHE 124 HA -0.06 0.28 0.87 -0.75 4.62 4.95 2v4eE1 PHE 124 HB2 -0.06 0.02 -0.32 -0.04 3.15 2.75 2v4eE1 PHE 124 HB3 -0.06 -0.05 0.08 -0.04 3.06 2.98 2v4eE1 PHE 124 HD2 -0.01 -0.07 -0.25 -0.04 7.28 6.91 2v4eE1 PHE 124 HE2 -0.02 0.04 -0.16 -0.04 7.38 7.20 2v4eE1 PHE 124 HZ 0.02 -0.02 -0.23 -0.04 7.32 7.05 2v4eE1 ILE 125 H -0.22 0.58 0.35 -0.55 8.25 8.41 2v4eE1 ILE 125 HA 0.05 0.14 1.02 -0.75 4.18 4.63 2v4eE1 ILE 125 HB -0.08 -0.04 0.21 -0.04 1.89 1.95 2v4eE1 ILE 125 HG12 -0.02 0.02 -0.01 -0.04 1.49 1.43 2v4eE1 ILE 125 HG13 -0.03 -0.07 -0.39 -0.04 1.21 0.68 2v4eE1 ILE 125 HG23 -0.01 -0.01 -0.12 -0.04 0.93 0.75 2v4eE1 ILE 125 HD13 -0.04 -0.00 -0.05 -0.04 0.88 0.75 2v4eE1 GLY 126 H 0.12 1.16 0.43 -0.55 8.43 9.59 2v4eE1 GLY 126 HA2 0.03 0.27 1.13 -0.51 4.01 4.93 2v4eE1 GLY 126 HA3 0.16 -0.04 0.40 -0.51 4.01 4.02 2v4eE1 VAL 127 H 0.11 0.81 0.45 -0.55 8.24 9.06 2v4eE1 VAL 127 HA 0.12 -0.04 1.00 -0.75 4.13 4.45 2v4eE1 VAL 127 HB 0.01 -0.02 0.09 -0.04 2.12 2.15 2v4eE1 VAL 127 HG13 0.01 -0.00 -0.27 -0.04 0.97 0.67 2v4eE1 VAL 127 HG23 -0.04 0.06 -0.01 -0.04 0.95 0.92 2v4eE1 ASN 128 H 0.05 0.12 0.19 -0.55 8.53 8.35 2v4eE1 ASN 128 HA -0.02 0.04 0.27 -0.75 4.76 4.29 2v4eE1 ASN 128 HB2 -0.07 -0.09 -0.38 -0.04 2.88 2.30 2v4eE1 ASN 128 HB3 -0.18 0.27 0.02 -0.04 2.79 2.86 2v4eE1 ASN 128 HD21 -0.04 -0.04 0.02 -0.04 7.03 6.94 2v4eE1 ASN 128 HD22 -0.06 0.06 0.02 -0.04 7.74 7.72 2v4eE1 PHE 129 H 0.20 -0.00 -0.14 -0.55 8.34 7.84 2v4eE1 PHE 129 HA -0.04 0.15 0.64 -0.75 4.62 4.62 2v4eE1 PHE 129 HB2 -0.08 -0.00 -0.01 -0.04 3.15 3.01 2v4eE1 PHE 129 HB3 -0.09 -0.01 -0.08 -0.04 3.06 2.83 2v4eE1 PHE 129 HD2 -0.15 -0.10 -0.20 -0.04 7.28 6.79 2v4eE1 PHE 129 HE2 -0.62 -0.02 -0.12 -0.04 7.38 6.58 2v4eE1 PHE 129 HZ -0.44 0.06 -0.21 -0.04 7.32 6.69 2v4eE1 PRO 130 HA 0.02 0.07 0.46 -0.51 4.44 4.48 2v4eE1 PRO 130 HB2 0.01 -0.16 0.12 -0.04 2.28 2.21 2v4eE1 PRO 130 HB3 0.01 0.07 0.12 -0.04 2.02 2.18 2v4eE1 PRO 130 HG2 0.02 0.01 0.18 -0.04 2.03 2.19 2v4eE1 PRO 130 HG3 0.00 0.19 0.17 -0.04 2.03 2.35 2v4eE1 PRO 130 HD2 0.05 -0.08 0.22 -0.04 3.68 3.83 2v4eE1 PRO 130 HD3 -0.06 0.38 0.34 -0.04 3.65 4.27 2v4eE1 SER 131 H 0.02 0.15 0.21 -0.55 8.46 8.30 2v4eE1 SER 131 HA 0.02 0.13 0.30 -0.75 4.49 4.19 2v4eE1 SER 131 HB2 0.02 0.08 0.11 -0.04 3.95 4.11 2v4eE1 SER 131 HB3 0.02 -0.00 0.17 -0.04 3.93 4.08 2v4eE1 ASP 132 H 0.00 -0.02 -0.27 -0.55 8.40 7.56 2v4eE1 ASP 132 HA -0.01 0.28 0.80 -0.75 4.63 4.94 2v4eE1 ASP 132 HB2 -0.01 0.03 0.11 -0.04 2.71 2.80 2v4eE1 ASP 132 HB3 -0.00 0.00 -0.01 -0.04 2.70 2.65 2v4eE1 GLY 133 H -0.01 0.30 -0.43 -0.55 8.43 7.74 2v4eE1 GLY 133 HA2 -0.07 0.13 0.50 -0.51 4.01 4.06 2v4eE1 GLY 133 HA3 -0.05 -0.01 0.31 -0.51 4.01 3.74 2v4eE1 PRO 134 HA -0.14 0.13 0.23 -0.51 4.44 4.15 2v4eE1 PRO 134 HB2 -0.34 0.01 -0.14 -0.04 2.28 1.77 2v4eE1 PRO 134 HB3 -0.23 0.10 -0.01 -0.04 2.02 1.85 2v4eE1 PRO 134 HG2 -1.41 -0.02 0.03 -0.04 2.03 0.59 2v4eE1 PRO 134 HG3 -0.73 0.09 0.02 -0.04 2.03 1.38 2v4eE1 PRO 134 HD2 -0.31 0.07 0.21 -0.04 3.68 3.61 2v4eE1 PRO 134 HD3 -0.21 0.21 0.16 -0.04 3.65 3.78 2v4eE1 VAL 135 H -0.18 0.12 -0.30 -0.55 8.24 7.33 2v4eE1 VAL 135 HA -0.10 0.03 0.51 -0.75 4.13 3.82 2v4eE1 VAL 135 HB -0.03 0.00 0.04 -0.04 2.12 2.09 2v4eE1 VAL 135 HG13 -0.56 0.03 -0.16 -0.04 0.97 0.24 2v4eE1 VAL 135 HG23 -0.02 0.00 -0.06 -0.04 0.95 0.83 2v4eE1 MET 136 H -0.04 0.16 -0.12 -0.55 8.47 7.92 2v4eE1 MET 136 HA -0.01 0.14 0.48 -0.75 4.52 4.38 2v4eE1 MET 136 HB2 -0.00 0.21 0.02 -0.04 2.15 2.33 2v4eE1 MET 136 HB3 0.00 0.07 0.12 -0.04 2.03 2.19 2v4eE1 MET 136 HG2 0.03 -0.15 -0.13 -0.04 2.63 2.34 2v4eE1 MET 136 HG3 0.04 0.04 -0.18 -0.04 2.56 2.42 2v4eE1 MET 136 HE3 0.02 0.07 -0.03 -0.04 2.10 2.12 2v4eE1 GLN 137 H -0.06 0.22 -0.40 -0.55 8.47 7.69 2v4eE1 GLN 137 HA -0.04 0.21 0.75 -0.75 4.36 4.53 2v4eE1 GLN 137 HB2 -0.06 -0.04 -0.17 -0.04 2.15 1.83 2v4eE1 GLN 137 HB3 -0.04 -0.05 0.01 -0.04 2.02 1.90 2v4eE1 GLN 137 HG2 -0.03 0.10 -0.15 -0.04 2.40 2.27 2v4eE1 GLN 137 HG3 -0.03 0.02 -0.09 -0.04 2.39 2.25 2v4eE1 GLN 137 HE21 -0.01 -0.09 -0.01 -0.04 6.97 6.82 2v4eE1 GLN 137 HE22 -0.01 0.41 0.07 -0.04 7.69 8.12 2v4eE1 LYS 138 H -0.07 0.20 -0.54 -0.55 8.42 7.44 2v4eE1 LYS 138 HA -0.10 -0.10 0.33 -0.75 4.32 3.70 2v4eE1 LYS 138 HB2 -0.08 0.17 -0.01 -0.04 1.87 1.91 2v4eE1 LYS 138 HB3 -0.13 -0.09 0.09 -0.04 1.79 1.61 2v4eE1 LYS 138 HG2 -0.13 -0.08 -0.50 -0.04 1.46 0.71 2v4eE1 LYS 138 HG3 -0.08 0.10 -0.57 -0.04 1.46 0.88 2v4eE1 LYS 138 HD2 -0.07 -0.02 -0.14 -0.04 1.69 1.42 2v4eE1 LYS 138 HD3 -0.14 -0.07 -0.12 -0.04 1.68 1.32 2v4eE1 LYS 138 HE2 -0.15 0.20 -0.12 -0.04 2.99 2.87 2v4eE1 LYS 138 HE3 -0.09 0.09 -0.24 -0.04 2.99 2.71 2v4eE1 LYS 139 H -0.09 0.49 0.04 -0.55 8.42 8.30 2v4eE1 LYS 139 HA -0.06 0.24 0.68 -0.75 4.32 4.42 2v4eE1 LYS 139 HB2 -0.10 -0.10 0.04 -0.04 1.87 1.67 2v4eE1 LYS 139 HB3 -0.06 -0.13 0.15 -0.04 1.79 1.71 2v4eE1 LYS 139 HG2 -0.07 -0.00 -0.29 -0.04 1.46 1.06 2v4eE1 LYS 139 HG3 -0.06 -0.02 -0.08 -0.04 1.46 1.26 2v4eE1 LYS 139 HD2 -0.04 -0.10 -0.01 -0.04 1.69 1.50 2v4eE1 LYS 139 HD3 -0.05 0.25 -0.39 -0.04 1.68 1.45 2v4eE1 LYS 139 HE2 -0.03 0.05 -0.06 -0.04 2.99 2.91 2v4eE1 LYS 139 HE3 -0.03 -0.08 -0.03 -0.04 2.99 2.80 2v4eE1 THR 140 H -0.09 0.08 -0.21 -0.55 8.28 7.51 2v4eE1 THR 140 HA -0.07 0.27 0.63 -0.75 4.39 4.47 2v4eE1 THR 140 HB -0.13 0.03 -0.07 -0.04 4.32 4.11 2v4eE1 THR 140 HG23 -0.07 0.02 -0.20 -0.04 1.22 0.93 2v4eE1 LEU 141 H -0.06 0.88 0.18 -0.55 8.37 8.83 2v4eE1 LEU 141 HA -0.01 0.14 0.85 -0.75 4.35 4.58 2v4eE1 LEU 141 HB2 -0.02 0.02 -0.05 -0.04 1.64 1.55 2v4eE1 LEU 141 HB3 0.01 -0.01 0.11 -0.04 1.64 1.71 2v4eE1 LEU 141 HG -0.03 -0.01 -0.38 -0.04 1.64 1.18 2v4eE1 LEU 141 HD13 -0.01 0.01 -0.14 -0.04 0.93 0.75 2v4eE1 LEU 141 HD23 0.01 0.03 -0.10 -0.04 0.89 0.78 2v4eE1 GLY 142 H -0.06 0.01 -0.19 -0.55 8.43 7.65 2v4eE1 GLY 142 HA2 0.06 -0.06 0.33 -0.51 4.01 3.83 2v4eE1 GLY 142 HA3 0.10 0.18 0.41 -0.51 4.01 4.19 2v4eE1 TRP 143 H 0.38 0.12 0.15 -0.55 7.97 8.08 2v4eE1 TRP 143 HA 0.11 0.08 0.84 -0.75 4.62 4.90 2v4eE1 TRP 143 HB2 0.07 0.01 0.08 -0.04 3.23 3.35 2v4eE1 TRP 143 HB3 0.03 0.20 0.08 -0.04 3.23 3.50 2v4eE1 TRP 143 HD1 0.14 -0.04 -0.03 -0.04 7.22 7.24 2v4eE1 TRP 143 HE1 0.16 0.47 0.00 -0.04 10.20 10.79 2v4eE1 TRP 143 HE3 0.02 0.06 -0.21 -0.04 7.59 7.42 2v4eE1 TRP 143 HZ2 0.32 0.05 -0.22 -0.04 7.44 7.55 2v4eE1 TRP 143 HZ3 0.01 -0.03 -0.33 -0.04 7.13 6.75 2v4eE1 TRP 143 HH2 0.21 -0.02 -0.23 -0.04 7.19 7.11 2v4eE1 GLU 144 H 0.31 0.42 0.35 -0.55 8.60 9.13 2v4eE1 GLU 144 HA 0.16 0.07 0.71 -0.75 4.29 4.48 2v4eE1 GLU 144 HB2 0.14 -0.04 0.18 -0.04 2.09 2.33 2v4eE1 GLU 144 HB3 0.09 0.07 0.17 -0.04 1.99 2.28 2v4eE1 GLU 144 HG2 0.27 -0.03 0.01 -0.04 2.34 2.56 2v4eE1 GLU 144 HG3 0.11 -0.06 0.00 -0.04 2.34 2.35 2v4eE1 PRO 145 HA 0.02 0.07 0.75 -0.51 4.44 4.77 2v4eE1 PRO 145 HB2 0.01 0.03 0.11 -0.04 2.28 2.38 2v4eE1 PRO 145 HB3 0.04 -0.01 0.26 -0.04 2.02 2.26 2v4eE1 PRO 145 HG2 0.03 -0.01 0.05 -0.04 2.03 2.06 2v4eE1 PRO 145 HG3 0.04 0.02 0.10 -0.04 2.03 2.14 2v4eE1 PRO 145 HD2 0.08 0.03 0.28 -0.04 3.68 4.03 2v4eE1 PRO 145 HD3 0.09 0.15 0.21 -0.04 3.65 4.06 2v4eE1 SER 146 H -0.05 0.56 0.39 -0.55 8.46 8.81 2v4eE1 SER 146 HA -0.06 0.15 0.90 -0.75 4.49 4.73 2v4eE1 SER 146 HB2 -0.18 -0.02 -0.10 -0.04 3.95 3.62 2v4eE1 SER 146 HB3 -0.15 0.08 -0.40 -0.04 3.93 3.41 2v4eE1 THR 147 H -0.07 0.24 0.19 -0.55 8.28 8.09 2v4eE1 THR 147 HA -0.05 0.28 1.13 -0.75 4.39 4.99 2v4eE1 THR 147 HB -0.02 -0.04 0.13 -0.04 4.32 4.35 2v4eE1 THR 147 HG23 0.01 0.00 -0.14 -0.04 1.22 1.05 2v4eE1 GLU 148 H -0.05 0.73 0.39 -0.55 8.60 9.11 2v4eE1 GLU 148 HA -0.12 0.22 0.80 -0.75 4.29 4.44 2v4eE1 GLU 148 HB2 -0.16 -0.03 -0.13 -0.04 2.09 1.73 2v4eE1 GLU 148 HB3 -0.16 -0.02 0.08 -0.04 1.99 1.86 2v4eE1 GLU 148 HG2 -0.20 0.02 -0.40 -0.04 2.34 1.71 2v4eE1 GLU 148 HG3 -0.14 0.02 -0.33 -0.04 2.34 1.84 2v4eE1 ARG 149 H -0.16 0.67 0.45 -0.55 8.46 8.87 2v4eE1 ARG 149 HA -0.78 0.21 1.04 -0.75 4.34 4.07 2v4eE1 ARG 149 HB2 -0.07 -0.02 0.07 -0.04 1.90 1.84 2v4eE1 ARG 149 HB3 -0.16 -0.06 0.24 -0.04 1.80 1.79 2v4eE1 ARG 149 HG2 -0.95 0.06 0.09 -0.04 1.67 0.84 2v4eE1 ARG 149 HG3 -0.11 -0.06 0.02 -0.04 1.67 1.47 2v4eE1 ARG 149 HD2 -0.50 0.14 -0.53 -0.04 3.22 2.30 2v4eE1 ARG 149 HD3 -0.62 -0.03 -0.09 -0.04 3.22 2.44 2v4eE1 LEU 150 H -0.83 0.67 0.46 -0.55 8.37 8.12 2v4eE1 LEU 150 HA -0.32 0.27 1.23 -0.75 4.35 4.78 2v4eE1 LEU 150 HB2 -1.09 -0.03 -0.07 -0.04 1.64 0.40 2v4eE1 LEU 150 HB3 -0.40 0.04 0.02 -0.04 1.64 1.26 2v4eE1 LEU 150 HG -0.27 -0.03 -0.32 -0.04 1.64 0.98 2v4eE1 LEU 150 HD13 -0.52 -0.00 -0.35 -0.04 0.93 0.01 2v4eE1 LEU 150 HD23 -0.16 0.00 -0.24 -0.04 0.89 0.44 2v4eE1 TYR 151 H -0.49 0.59 0.39 -0.55 8.29 8.23 2v4eE1 TYR 151 HA -0.05 0.23 0.58 -0.75 4.56 4.58 2v4eE1 TYR 151 HB2 0.07 0.07 0.01 -0.04 3.06 3.16 2v4eE1 TYR 151 HB3 -0.10 0.01 -0.17 -0.04 2.98 2.67 2v4eE1 TYR 151 HD2 -0.15 0.10 -0.37 -0.04 7.15 6.69 2v4eE1 TYR 151 HE2 -0.08 -0.03 -0.13 -0.04 6.85 6.57 2v4eE1 PRO 152 HA -0.11 0.25 0.83 -0.51 4.44 4.90 2v4eE1 PRO 152 HB2 0.02 -0.09 -0.02 -0.04 2.28 2.15 2v4eE1 PRO 152 HB3 -0.01 0.12 0.14 -0.04 2.02 2.23 2v4eE1 PRO 152 HG2 0.10 -0.08 0.13 -0.04 2.03 2.14 2v4eE1 PRO 152 HG3 0.07 0.17 0.19 -0.04 2.03 2.42 2v4eE1 PRO 152 HD2 0.21 -0.03 0.11 -0.04 3.68 3.93 2v4eE1 PRO 152 HD3 0.11 0.37 -0.01 -0.04 3.65 4.07 2v4eE1 ARG 153 H -0.06 0.56 0.17 -0.55 8.46 8.58 2v4eE1 ARG 153 HA 0.07 0.00 0.55 -0.75 4.34 4.21 2v4eE1 ARG 153 HB2 0.30 0.17 -0.15 -0.04 1.90 2.18 2v4eE1 ARG 153 HB3 0.01 0.00 -0.16 -0.04 1.80 1.61 2v4eE1 ARG 153 HG2 0.17 -0.00 -0.09 -0.04 1.67 1.70 2v4eE1 ARG 153 HG3 0.05 -0.01 -0.26 -0.04 1.67 1.41 2v4eE1 ARG 153 HD2 0.06 -0.02 -0.02 -0.04 3.22 3.19 2v4eE1 ARG 153 HD3 0.07 -0.06 0.09 -0.04 3.22 3.28 2v4eE1 ASP 154 H 0.02 0.16 0.13 -0.55 8.40 8.17 2v4eE1 ASP 154 HA 0.01 0.04 0.33 -0.75 4.63 4.26 2v4eE1 ASP 154 HB2 0.01 -0.03 -0.14 -0.04 2.71 2.51 2v4eE1 ASP 154 HB3 -0.00 0.16 -0.10 -0.04 2.70 2.72 2v4eE1 GLY 155 H 0.01 0.03 -0.21 -0.55 8.43 7.72 2v4eE1 GLY 155 HA2 0.02 -0.01 0.31 -0.51 4.01 3.82 2v4eE1 GLY 155 HA3 0.02 0.11 0.44 -0.51 4.01 4.08 2v4eE1 VAL 156 H -0.03 0.31 -0.45 -0.55 8.24 7.51 2v4eE1 VAL 156 HA -0.03 0.18 0.87 -0.75 4.13 4.39 2v4eE1 VAL 156 HB 0.00 0.12 0.17 -0.04 2.12 2.37 2v4eE1 VAL 156 HG13 0.06 0.00 -0.13 -0.04 0.97 0.86 2v4eE1 VAL 156 HG23 -0.05 -0.00 -0.09 -0.04 0.95 0.77 2v4eE1 LEU 157 H -0.19 0.57 0.36 -0.55 8.37 8.56 2v4eE1 LEU 157 HA -0.29 0.20 1.05 -0.75 4.35 4.56 2v4eE1 LEU 157 HB2 -0.75 0.01 0.00 -0.04 1.64 0.86 2v4eE1 LEU 157 HB3 -0.26 -0.04 0.17 -0.04 1.64 1.46 2v4eE1 LEU 157 HG -0.02 0.04 -0.30 -0.04 1.64 1.33 2v4eE1 LEU 157 HD13 -0.12 0.03 -0.10 -0.04 0.93 0.69 2v4eE1 LEU 157 HD23 -0.17 -0.03 -0.11 -0.04 0.89 0.54 2v4eE1 LYS 158 H -0.49 0.63 0.37 -0.55 8.42 8.37 2v4eE1 LYS 158 HA -0.30 0.27 1.15 -0.75 4.32 4.68 2v4eE1 LYS 158 HB2 -1.06 -0.01 0.03 -0.04 1.87 0.79 2v4eE1 LYS 158 HB3 -0.29 0.02 0.15 -0.04 1.79 1.62 2v4eE1 LYS 158 HG2 -0.20 0.00 -0.20 -0.04 1.46 1.02 2v4eE1 LYS 158 HG3 -0.30 0.02 -0.16 -0.04 1.46 0.98 2v4eE1 LYS 158 HD2 -0.03 -0.02 -0.12 -0.04 1.69 1.47 2v4eE1 LYS 158 HD3 0.00 -0.02 -0.08 -0.04 1.68 1.54 2v4eE1 LYS 158 HE2 -0.10 0.06 -0.07 -0.04 2.99 2.84 2v4eE1 LYS 158 HE3 -0.06 -0.01 -0.09 -0.04 2.99 2.80 2v4eE1 GLY 159 H -0.23 0.52 0.36 -0.55 8.43 8.54 2v4eE1 GLY 159 HA2 -0.18 0.33 0.86 -0.51 4.01 4.52 2v4eE1 GLY 159 HA3 -0.13 -0.03 0.26 -0.51 4.01 3.60 2v4eE1 GLU 160 H -0.10 0.52 0.43 -0.55 8.60 8.91 2v4eE1 GLU 160 HA -0.07 0.32 1.19 -0.75 4.29 4.98 2v4eE1 GLU 160 HB2 -0.10 -0.06 0.12 -0.04 2.09 2.01 2v4eE1 GLU 160 HB3 -0.13 0.05 0.25 -0.04 1.99 2.12 2v4eE1 GLU 160 HG2 -0.03 -0.03 0.03 -0.04 2.34 2.27 2v4eE1 GLU 160 HG3 -0.04 -0.00 0.04 -0.04 2.34 2.30 2v4eE1 ILE 161 H -0.13 0.54 0.43 -0.55 8.25 8.54 2v4eE1 ILE 161 HA -0.17 0.23 0.97 -0.75 4.18 4.46 2v4eE1 ILE 161 HB -0.37 -0.07 -0.05 -0.04 1.89 1.36 2v4eE1 ILE 161 HG12 -0.18 0.07 -0.44 -0.04 1.49 0.89 2v4eE1 ILE 161 HG13 -0.14 -0.03 -0.42 -0.04 1.21 0.58 2v4eE1 ILE 161 HG23 -0.23 0.07 -0.29 -0.04 0.93 0.44 2v4eE1 ILE 161 HD13 -0.38 0.01 -0.25 -0.04 0.88 0.22 2v4eE1 HIS 162 H -0.07 0.25 0.19 -0.55 8.41 8.24 2v4eE1 HIS 162 HA -0.04 0.15 1.06 -0.75 4.63 5.04 2v4eE1 HIS 162 HB2 -0.03 -0.00 0.26 -0.04 3.26 3.45 2v4eE1 HIS 162 HB3 -0.03 0.03 0.10 -0.04 3.20 3.26 2v4eE1 HIS 162 HD2 -0.02 0.01 0.05 -0.04 6.97 6.96 2v4eE1 HIS 162 HE1 -0.00 0.00 -0.01 -0.04 7.75 7.69 2v4eE1 LYS 163 H -0.01 0.48 0.18 -0.55 8.42 8.52 2v4eE1 LYS 163 HA -0.01 0.19 0.76 -0.75 4.32 4.52 2v4eE1 LYS 163 HB2 -0.19 0.06 -0.03 -0.04 1.87 1.67 2v4eE1 LYS 163 HB3 -0.06 -0.04 0.02 -0.04 1.79 1.67 2v4eE1 LYS 163 HG2 -0.40 0.05 -0.16 -0.04 1.46 0.90 2v4eE1 LYS 163 HG3 -0.55 -0.11 -0.27 -0.04 1.46 0.50 2v4eE1 LYS 163 HD2 -1.12 0.01 -0.18 -0.04 1.69 0.36 2v4eE1 LYS 163 HD3 -2.81 -0.01 -0.16 -0.04 1.68 -1.34 2v4eE1 LYS 163 HE2 -1.44 0.01 -0.14 -0.04 2.99 1.38 2v4eE1 LYS 163 HE3 -2.20 -0.03 -0.14 -0.04 2.99 0.58 2v4eE1 ALA 164 H 0.41 0.30 0.17 -0.55 8.40 8.73 2v4eE1 ALA 164 HA 0.17 0.14 0.77 -0.75 4.34 4.66 2v4eE1 ALA 164 HB3 0.09 0.02 -0.14 -0.04 1.41 1.33 2v4eE1 LEU 165 H 0.04 0.74 0.31 -0.55 8.37 8.91 2v4eE1 LEU 165 HA -0.17 0.20 0.88 -0.75 4.35 4.50 2v4eE1 LEU 165 HB2 -0.00 -0.02 0.08 -0.04 1.64 1.66 2v4eE1 LEU 165 HB3 -0.19 0.03 -0.11 -0.04 1.64 1.33 2v4eE1 LEU 165 HG -1.88 0.01 -0.21 -0.04 1.64 -0.49 2v4eE1 LEU 165 HD13 -0.16 -0.02 -0.20 -0.04 0.93 0.51 2v4eE1 LEU 165 HD23 -1.40 0.01 -0.31 -0.04 0.89 -0.85 2v4eE1 LYS 166 H -0.01 0.68 0.17 -0.55 8.42 8.70 2v4eE1 LYS 166 HA -0.18 0.18 0.69 -0.75 4.32 4.26 2v4eE1 LYS 166 HB2 -0.02 0.16 0.04 -0.04 1.87 2.02 2v4eE1 LYS 166 HB3 -0.09 0.03 0.04 -0.04 1.79 1.73 2v4eE1 LYS 166 HG2 -0.04 -0.03 -0.01 -0.04 1.46 1.34 2v4eE1 LYS 166 HG3 0.11 -0.05 -0.06 -0.04 1.46 1.42 2v4eE1 LYS 166 HD2 0.02 -0.00 -0.00 -0.04 1.69 1.67 2v4eE1 LYS 166 HD3 0.09 -0.06 -0.03 -0.04 1.68 1.64 2v4eE1 LYS 166 HE2 0.13 -0.02 -0.41 -0.04 2.99 2.65 2v4eE1 LYS 166 HE3 0.07 0.25 -0.09 -0.04 2.99 3.18 2v4eE1 LEU 167 H -0.14 0.52 0.04 -0.55 8.37 8.25 2v4eE1 LEU 167 HA -0.05 0.20 0.86 -0.75 4.35 4.61 2v4eE1 LEU 167 HB2 -0.04 0.15 -0.36 -0.04 1.64 1.34 2v4eE1 LEU 167 HB3 -0.04 -0.05 -0.13 -0.04 1.64 1.38 2v4eE1 LEU 167 HG 0.04 -0.02 -0.46 -0.04 1.64 1.16 2v4eE1 LEU 167 HD13 0.04 -0.02 -0.26 -0.04 0.93 0.66 2v4eE1 LEU 167 HD23 -0.05 -0.00 -0.23 -0.04 0.89 0.57 2v4eE1 LYS 168 H -0.04 0.44 0.21 -0.55 8.42 8.48 2v4eE1 LYS 168 HA -0.02 0.06 0.28 -0.75 4.32 3.88 2v4eE1 LYS 168 HB2 -0.03 -0.02 0.22 -0.04 1.87 2.00 2v4eE1 LYS 168 HB3 -0.02 -0.01 0.04 -0.04 1.79 1.77 2v4eE1 LYS 168 HG2 -0.01 -0.02 0.01 -0.04 1.46 1.39 2v4eE1 LYS 168 HG3 -0.03 0.09 -0.03 -0.04 1.46 1.45 2v4eE1 LYS 168 HD2 -0.03 -0.01 0.04 -0.04 1.69 1.65 2v4eE1 LYS 168 HD3 -0.01 -0.04 0.01 -0.04 1.68 1.59 2v4eE1 LYS 168 HE2 -0.02 0.02 0.02 -0.04 2.99 2.97 2v4eE1 LYS 168 HE3 -0.01 -0.05 -0.01 -0.04 2.99 2.88 2v4eE1 GLY 169 H -0.02 0.07 0.01 -0.55 8.43 7.94 2v4eE1 GLY 169 HA2 -0.01 0.01 0.33 -0.51 4.01 3.83 2v4eE1 GLY 169 HA3 -0.01 -0.04 0.34 -0.51 4.01 3.79 2v4eE1 GLY 170 H -0.04 0.55 -0.91 -0.55 8.43 7.48 2v4eE1 GLY 170 HA2 -0.06 0.03 0.39 -0.51 4.01 3.86 2v4eE1 GLY 170 HA3 -0.03 0.06 0.77 -0.51 4.01 4.30 2v4eE1 GLY 171 H -0.10 0.08 0.14 -0.55 8.43 8.00 2v4eE1 GLY 171 HA2 -0.01 0.01 0.33 -0.51 4.01 3.83 2v4eE1 GLY 171 HA3 -0.01 0.16 0.61 -0.51 4.01 4.25 2v4eE1 HIS 172 H 0.11 0.21 0.18 -0.55 8.41 8.37 2v4eE1 HIS 172 HA 0.07 0.32 1.00 -0.75 4.63 5.27 2v4eE1 HIS 172 HB2 0.05 -0.05 -0.01 -0.04 3.26 3.21 2v4eE1 HIS 172 HB3 0.06 0.00 -0.14 -0.04 3.20 3.08 2v4eE1 HIS 172 HD2 0.06 0.00 -0.36 -0.04 6.97 6.62 2v4eE1 HIS 172 HE1 0.03 -0.01 -0.06 -0.04 7.75 7.67 2v4eE1 TYR 173 H 0.23 0.85 0.27 -0.55 8.29 9.10 2v4eE1 TYR 173 HA 0.10 0.10 0.91 -0.75 4.56 4.91 2v4eE1 TYR 173 HB2 0.05 0.03 -0.06 -0.04 3.06 3.03 2v4eE1 TYR 173 HB3 0.03 0.01 0.09 -0.04 2.98 3.07 2v4eE1 TYR 173 HD2 0.09 0.02 -0.01 -0.04 7.15 7.21 2v4eE1 TYR 173 HE2 0.16 -0.05 -0.03 -0.04 6.85 6.88 2v4eE1 LEU 174 H 0.00 0.11 0.17 -0.55 8.37 8.11 2v4eE1 LEU 174 HA 0.00 0.22 0.60 -0.75 4.35 4.42 2v4eE1 LEU 174 HB2 -0.01 -0.09 0.10 -0.04 1.64 1.60 2v4eE1 LEU 174 HB3 -0.00 0.10 0.06 -0.04 1.64 1.75 2v4eE1 LEU 174 HG 0.06 -0.02 -0.04 -0.04 1.64 1.61 2v4eE1 LEU 174 HD13 0.00 0.01 -0.01 -0.04 0.93 0.89 2v4eE1 LEU 174 HD23 0.03 0.01 -0.17 -0.04 0.89 0.72 2v4eE1 CYS 175 H 0.01 0.69 0.24 -0.55 8.50 8.88 2v4eE1 CYS 175 HA -0.28 0.24 0.82 -0.75 4.58 4.60 2v4eE1 CYS 175 HB2 -0.74 -0.02 -0.32 -0.04 2.97 1.85 2v4eE1 CYS 175 HB3 0.13 -0.05 -0.18 -0.04 2.97 2.83 2v4eE1 GLU 176 H -0.08 0.64 0.34 -0.55 8.60 8.95 2v4eE1 GLU 176 HA 0.03 0.24 1.09 -0.75 4.29 4.89 2v4eE1 GLU 176 HB2 0.06 -0.03 0.15 -0.04 2.09 2.23 2v4eE1 GLU 176 HB3 -0.02 -0.07 0.18 -0.04 1.99 2.04 2v4eE1 GLU 176 HG2 -0.07 0.10 -0.03 -0.04 2.34 2.30 2v4eE1 GLU 176 HG3 -0.17 -0.00 0.08 -0.04 2.34 2.21 2v4eE1 PHE 177 H 0.08 0.59 0.44 -0.55 8.34 8.90 2v4eE1 PHE 177 HA -0.14 0.26 1.04 -0.75 4.62 5.03 2v4eE1 PHE 177 HB2 -0.19 -0.08 0.16 -0.04 3.15 2.99 2v4eE1 PHE 177 HB3 -0.18 0.05 -0.14 -0.04 3.06 2.75 2v4eE1 PHE 177 HD2 -0.23 -0.04 -0.39 -0.04 7.28 6.59 2v4eE1 PHE 177 HE2 -0.30 0.02 -0.21 -0.04 7.38 6.85 2v4eE1 PHE 177 HZ -0.48 0.01 -0.18 -0.04 7.32 6.63 2v4eE1 LYS 178 H -0.10 0.75 0.38 -0.55 8.42 8.89 2v4eE1 LYS 178 HA -0.06 0.21 0.87 -0.75 4.32 4.59 2v4eE1 LYS 178 HB2 -0.07 -0.09 0.18 -0.04 1.87 1.85 2v4eE1 LYS 178 HB3 -0.06 0.03 0.08 -0.04 1.79 1.80 2v4eE1 LYS 178 HG2 -0.05 0.07 -0.09 -0.04 1.46 1.34 2v4eE1 LYS 178 HG3 -0.06 -0.02 -0.18 -0.04 1.46 1.16 2v4eE1 LYS 178 HD2 -0.04 -0.01 -0.03 -0.04 1.69 1.57 2v4eE1 LYS 178 HD3 -0.02 0.02 -0.02 -0.04 1.68 1.61 2v4eE1 LYS 178 HE2 -0.03 -0.01 -0.06 -0.04 2.99 2.85 2v4eE1 LYS 178 HE3 -0.03 -0.01 -0.06 -0.04 2.99 2.85 2v4eE1 SER 179 H -0.14 0.65 0.37 -0.55 8.46 8.79 2v4eE1 SER 179 HA -0.16 0.28 1.19 -0.75 4.49 5.04 2v4eE1 SER 179 HB2 -0.30 -0.01 0.04 -0.04 3.95 3.64 2v4eE1 SER 179 HB3 -0.62 0.04 -0.02 -0.04 3.93 3.28 2v4eE1 ILE 180 H -0.21 0.78 0.41 -0.55 8.25 8.68 2v4eE1 ILE 180 HA -0.31 0.24 0.97 -0.75 4.18 4.33 2v4eE1 ILE 180 HB -0.07 -0.08 0.09 -0.04 1.89 1.78 2v4eE1 ILE 180 HG12 -0.08 -0.00 -0.09 -0.04 1.49 1.28 2v4eE1 ILE 180 HG13 -0.13 0.06 -0.29 -0.04 1.21 0.81 2v4eE1 ILE 180 HG23 -0.07 0.01 -0.08 -0.04 0.93 0.75 2v4eE1 ILE 180 HD13 -0.08 0.02 -0.19 -0.04 0.88 0.58 2v4eE1 TYR 181 H -0.08 0.83 0.37 -0.55 8.29 8.86 2v4eE1 TYR 181 HA 0.28 0.24 1.08 -0.75 4.56 5.41 2v4eE1 TYR 181 HB2 -0.03 -0.05 0.13 -0.04 3.06 3.06 2v4eE1 TYR 181 HB3 0.15 -0.03 -0.06 -0.04 2.98 3.00 2v4eE1 TYR 181 HD2 0.06 0.02 -0.21 -0.04 7.15 6.98 2v4eE1 TYR 181 HE2 -0.27 0.01 -0.25 -0.04 6.85 6.30 2v4eE1 MET 182 H 0.38 0.84 0.31 -0.55 8.47 9.45 2v4eE1 MET 182 HA 0.28 0.12 0.95 -0.75 4.52 5.11 2v4eE1 MET 182 HB2 0.12 -0.02 0.18 -0.04 2.15 2.38 2v4eE1 MET 182 HB3 0.10 0.09 -0.00 -0.04 2.03 2.17 2v4eE1 MET 182 HG2 0.06 0.04 -0.09 -0.04 2.63 2.60 2v4eE1 MET 182 HG3 0.09 -0.08 -0.51 -0.04 2.56 2.02 2v4eE1 MET 182 HE3 0.06 -0.05 -0.24 -0.04 2.10 1.83 2v4eE1 ALA 183 H 0.28 0.16 0.14 -0.55 8.40 8.43 2v4eE1 ALA 183 HA -0.07 0.02 0.56 -0.75 4.34 4.10 2v4eE1 ALA 183 HB3 -0.46 0.03 0.15 -0.04 1.41 1.08 2v4eE1 LYS 184 H -0.06 0.82 0.48 -0.55 8.42 9.10 2v4eE1 LYS 184 HA -0.01 0.04 0.51 -0.75 4.32 4.10 2v4eE1 LYS 184 HB2 -0.06 0.06 -0.15 -0.04 1.87 1.68 2v4eE1 LYS 184 HB3 -0.03 -0.08 0.07 -0.04 1.79 1.71 2v4eE1 LYS 184 HG2 -0.02 -0.05 -0.07 -0.04 1.46 1.27 2v4eE1 LYS 184 HG3 -0.04 -0.05 -0.31 -0.04 1.46 1.01 2v4eE1 LYS 184 HD2 -0.04 0.24 -0.20 -0.04 1.69 1.64 2v4eE1 LYS 184 HD3 -0.02 -0.10 -0.06 -0.04 1.68 1.46 2v4eE1 LYS 184 HE2 -0.06 -0.10 -0.15 -0.04 2.99 2.64 2v4eE1 LYS 184 HE3 -0.10 0.07 -0.11 -0.04 2.99 2.81 2v4eE1 LYS 185 H -0.08 0.16 -0.36 -0.55 8.42 7.58 2v4eE1 LYS 185 HA -0.02 0.10 0.50 -0.75 4.32 4.15 2v4eE1 LYS 185 HB2 -0.02 0.01 0.10 -0.04 1.87 1.91 2v4eE1 LYS 185 HB3 -0.03 -0.00 -0.08 -0.04 1.79 1.64 2v4eE1 LYS 185 HG2 -0.07 0.01 -0.02 -0.04 1.46 1.34 2v4eE1 LYS 185 HG3 -0.07 0.02 -0.28 -0.04 1.46 1.08 2v4eE1 LYS 185 HD2 -0.02 -0.03 -0.03 -0.04 1.69 1.57 2v4eE1 LYS 185 HD3 -0.02 -0.12 -0.03 -0.04 1.68 1.47 2v4eE1 LYS 185 HE2 -0.03 0.12 -0.12 -0.04 2.99 2.92 2v4eE1 LYS 185 HE3 -0.05 0.06 -0.03 -0.04 2.99 2.92 2v4eE1 PRO 186 HA 0.01 0.06 0.46 -0.51 4.44 4.46 2v4eE1 PRO 186 HB2 0.00 -0.01 0.11 -0.04 2.28 2.34 2v4eE1 PRO 186 HB3 0.01 0.02 0.07 -0.04 2.02 2.08 2v4eE1 PRO 186 HG2 0.00 -0.00 0.09 -0.04 2.03 2.08 2v4eE1 PRO 186 HG3 0.01 0.04 0.07 -0.04 2.03 2.11 2v4eE1 PRO 186 HD2 -0.01 0.09 0.20 -0.04 3.68 3.91 2v4eE1 PRO 186 HD3 -0.00 0.13 0.17 -0.04 3.65 3.91 2v4eE1 VAL 187 H 0.01 0.22 0.26 -0.55 8.24 8.19 2v4eE1 VAL 187 HA -0.02 0.14 0.68 -0.75 4.13 4.17 2v4eE1 VAL 187 HB -0.10 -0.08 0.02 -0.04 2.12 1.92 2v4eE1 VAL 187 HG13 -0.17 0.08 -0.33 -0.04 0.97 0.50 2v4eE1 VAL 187 HG23 -0.33 0.06 -0.17 -0.04 0.95 0.47 2v4eE1 LYS 188 H 0.01 0.11 0.08 -0.55 8.42 8.06 2v4eE1 LYS 188 HA 0.05 0.03 0.43 -0.75 4.32 4.08 2v4eE1 LYS 188 HB2 0.02 -0.02 0.08 -0.04 1.87 1.91 2v4eE1 LYS 188 HB3 0.02 -0.04 0.02 -0.04 1.79 1.75 2v4eE1 LYS 188 HG2 0.03 0.24 -0.14 -0.04 1.46 1.55 2v4eE1 LYS 188 HG3 0.02 -0.04 0.04 -0.04 1.46 1.44 2v4eE1 LYS 188 HD2 0.01 -0.04 -0.02 -0.04 1.69 1.60 2v4eE1 LYS 188 HD3 0.01 -0.02 -0.09 -0.04 1.68 1.54 2v4eE1 LYS 188 HE2 0.02 0.08 -0.00 -0.04 2.99 3.05 2v4eE1 LYS 188 HE3 0.02 -0.04 -0.00 -0.04 2.99 2.93 2v4eE1 LEU 189 H 0.06 0.08 0.19 -0.55 8.37 8.15 2v4eE1 LEU 189 HA 0.06 0.15 0.79 -0.75 4.35 4.60 2v4eE1 LEU 189 HB2 0.02 -0.10 0.13 -0.04 1.64 1.65 2v4eE1 LEU 189 HB3 -0.03 0.17 0.07 -0.04 1.64 1.80 2v4eE1 LEU 189 HG 0.09 0.05 -0.09 -0.04 1.64 1.65 2v4eE1 LEU 189 HD13 -0.01 0.00 -0.13 -0.04 0.93 0.76 2v4eE1 LEU 189 HD23 -0.39 0.00 -0.15 -0.04 0.89 0.31 2v4eE1 PRO 190 HA -0.02 0.10 0.71 -0.51 4.44 4.72 2v4eE1 PRO 190 HB2 -0.15 0.03 0.02 -0.04 2.28 2.14 2v4eE1 PRO 190 HB3 -0.18 0.10 0.07 -0.04 2.02 1.97 2v4eE1 PRO 190 HG2 0.12 0.07 -0.07 -0.04 2.03 2.11 2v4eE1 PRO 190 HG3 -0.00 0.03 0.02 -0.04 2.03 2.03 2v4eE1 PRO 190 HD2 -0.10 0.06 0.16 -0.04 3.68 3.76 2v4eE1 PRO 190 HD3 -0.00 0.13 0.15 -0.04 3.65 3.88 2v4eE1 GLY 191 H 0.04 0.07 0.06 -0.55 8.43 8.05 2v4eE1 GLY 191 HA2 0.11 0.18 0.80 -0.51 4.01 4.59 2v4eE1 GLY 191 HA3 0.13 -0.04 0.43 -0.51 4.01 4.02 2v4eE1 TYR 192 H 0.27 0.08 0.21 -0.55 8.29 8.30 2v4eE1 TYR 192 HA 0.08 0.37 0.86 -0.75 4.56 5.11 2v4eE1 TYR 192 HB2 0.05 -0.04 0.20 -0.04 3.06 3.22 2v4eE1 TYR 192 HB3 0.06 -0.07 0.22 -0.04 2.98 3.15 2v4eE1 TYR 192 HD2 0.00 -0.04 -0.05 -0.04 7.15 7.02 2v4eE1 TYR 192 HE2 -0.10 -0.04 -0.03 -0.04 6.85 6.64 2v4eE1 TYR 193 H -0.45 0.62 0.41 -0.55 8.29 8.33 2v4eE1 TYR 193 HA 0.06 -0.02 0.67 -0.75 4.56 4.52 2v4eE1 TYR 193 HB2 -0.08 0.06 0.14 -0.04 3.06 3.14 2v4eE1 TYR 193 HB3 -0.01 0.01 -0.38 -0.04 2.98 2.56 2v4eE1 TYR 193 HD2 -0.12 0.16 -0.10 -0.04 7.15 7.04 2v4eE1 TYR 193 HE2 -0.18 0.00 -0.14 -0.04 6.85 6.50 2v4eE1 TYR 194 H 0.22 0.64 0.39 -0.55 8.29 8.99 2v4eE1 TYR 194 HA -0.33 0.33 1.16 -0.75 4.56 4.96 2v4eE1 TYR 194 HB2 -0.04 0.04 -0.04 -0.04 3.06 2.98 2v4eE1 TYR 194 HB3 -0.11 -0.01 0.02 -0.04 2.98 2.84 2v4eE1 TYR 194 HD2 -0.01 0.02 -0.19 -0.04 7.15 6.93 2v4eE1 TYR 194 HE2 0.11 -0.03 -0.07 -0.04 6.85 6.82 2v4eE1 VAL 195 H -0.08 0.48 0.35 -0.55 8.24 8.44 2v4eE1 VAL 195 HA -0.05 0.26 0.86 -0.75 4.13 4.44 2v4eE1 VAL 195 HB -0.16 -0.08 0.00 -0.04 2.12 1.84 2v4eE1 VAL 195 HG13 -0.11 -0.01 -0.32 -0.04 0.97 0.49 2v4eE1 VAL 195 HG23 -0.11 -0.01 -0.20 -0.04 0.95 0.59 2v4eE1 ASP 196 H -0.05 0.67 0.33 -0.55 8.40 8.81 2v4eE1 ASP 196 HA -0.06 0.22 1.02 -0.75 4.63 5.06 2v4eE1 ASP 196 HB2 -0.04 0.03 0.16 -0.04 2.71 2.82 2v4eE1 ASP 196 HB3 -0.04 0.01 0.05 -0.04 2.70 2.69 2v4eE1 SER 197 H -0.07 0.52 0.42 -0.55 8.46 8.78 2v4eE1 SER 197 HA -0.06 0.36 0.90 -0.75 4.49 4.93 2v4eE1 SER 197 HB2 -0.15 -0.09 -0.05 -0.04 3.95 3.62 2v4eE1 SER 197 HB3 -0.12 0.02 -0.01 -0.04 3.93 3.79 2v4eE1 LYS 198 H -0.03 0.66 0.27 -0.55 8.42 8.77 2v4eE1 LYS 198 HA 0.02 0.07 0.44 -0.75 4.32 4.09 2v4eE1 LYS 198 HB2 0.04 0.03 0.13 -0.04 1.87 2.03 2v4eE1 LYS 198 HB3 0.06 -0.05 0.18 -0.04 1.79 1.94 2v4eE1 LYS 198 HG2 0.12 -0.02 -0.23 -0.04 1.46 1.29 2v4eE1 LYS 198 HG3 0.09 0.08 0.01 -0.04 1.46 1.60 2v4eE1 LYS 198 HD2 0.07 0.01 0.02 -0.04 1.69 1.75 2v4eE1 LYS 198 HD3 0.07 -0.03 0.01 -0.04 1.68 1.69 2v4eE1 LYS 198 HE2 0.08 -0.02 -0.02 -0.04 2.99 2.98 2v4eE1 LYS 198 HE3 0.13 -0.03 -0.06 -0.04 2.99 2.99 2v4eE1 LEU 199 H 0.04 0.19 0.04 -0.55 8.37 8.10 2v4eE1 LEU 199 HA 0.07 0.32 1.09 -0.75 4.35 5.09 2v4eE1 LEU 199 HB2 -0.01 0.01 -0.05 -0.04 1.64 1.54 2v4eE1 LEU 199 HB3 0.08 -0.05 0.02 -0.04 1.64 1.65 2v4eE1 LEU 199 HG 0.14 0.09 -0.09 -0.04 1.64 1.74 2v4eE1 LEU 199 HD13 0.10 0.00 -0.27 -0.04 0.93 0.72 2v4eE1 LEU 199 HD23 0.32 -0.03 -0.44 -0.04 0.89 0.69 2v4eE1 ASP 200 H 0.21 0.78 0.39 -0.55 8.40 9.23 2v4eE1 ASP 200 HA 0.20 0.15 0.88 -0.75 4.63 5.11 2v4eE1 ASP 200 HB2 0.21 -0.05 0.00 -0.04 2.71 2.83 2v4eE1 ASP 200 HB3 0.15 0.05 -0.02 -0.04 2.70 2.83 2v4eE1 ILE 201 H 0.20 0.19 0.11 -0.55 8.25 8.20 2v4eE1 ILE 201 HA 0.21 0.18 0.99 -0.75 4.18 4.80 2v4eE1 ILE 201 HB 0.21 0.01 0.14 -0.04 1.89 2.20 2v4eE1 ILE 201 HG12 0.32 -0.05 -0.06 -0.04 1.49 1.66 2v4eE1 ILE 201 HG13 0.35 -0.04 -0.05 -0.04 1.21 1.42 2v4eE1 ILE 201 HG23 0.15 -0.01 -0.13 -0.04 0.93 0.90 2v4eE1 ILE 201 HD13 0.45 0.02 -0.16 -0.04 0.88 1.15 2v4eE1 THR 202 H 0.11 0.50 0.25 -0.55 8.28 8.60 2v4eE1 THR 202 HA 0.05 0.09 0.42 -0.75 4.39 4.19 2v4eE1 THR 202 HB 0.01 -0.02 -0.01 -0.04 4.32 4.27 2v4eE1 THR 202 HG23 0.09 0.01 -0.13 -0.04 1.22 1.14 2v4eE1 SER 203 H 0.00 0.30 0.23 -0.55 8.46 8.44 2v4eE1 SER 203 HA -0.14 0.16 0.38 -0.75 4.49 4.13 2v4eE1 SER 203 HB2 -0.17 0.00 0.10 -0.04 3.95 3.84 2v4eE1 SER 203 HB3 -0.09 0.13 -0.05 -0.04 3.93 3.88 2v4eE1 HIS 204 H -0.53 0.35 0.21 -0.55 8.41 7.90 2v4eE1 HIS 204 HA -0.32 0.18 0.86 -0.75 4.63 4.60 2v4eE1 HIS 204 HB2 -0.92 0.00 0.14 -0.04 3.26 2.44 2v4eE1 HIS 204 HB3 -0.48 -0.02 -0.02 -0.04 3.20 2.65 2v4eE1 HIS 204 HD2 -0.11 -0.01 -0.17 -0.04 6.97 6.64 2v4eE1 HIS 204 HE1 -0.20 0.02 -0.03 -0.04 7.75 7.50 2v4eE1 ASN 205 H -0.21 0.51 0.32 -0.55 8.53 8.60 2v4eE1 ASN 205 HA -0.17 0.17 0.70 -0.75 4.76 4.70 2v4eE1 ASN 205 HB2 -0.09 -0.04 0.21 -0.04 2.88 2.91 2v4eE1 ASN 205 HB3 -0.12 0.09 0.15 -0.04 2.79 2.88 2v4eE1 ASN 205 HD21 -0.07 -0.06 -0.01 -0.04 7.03 6.84 2v4eE1 ASN 205 HD22 -0.07 0.14 0.02 -0.04 7.74 7.79 2v4eE1 GLU 206 H -0.08 0.14 0.17 -0.55 8.60 8.28 2v4eE1 GLU 206 HA -0.04 0.12 0.35 -0.75 4.29 3.97 2v4eE1 GLU 206 HB2 -0.04 0.03 0.17 -0.04 2.09 2.21 2v4eE1 GLU 206 HB3 -0.04 -0.10 0.18 -0.04 1.99 2.00 2v4eE1 GLU 206 HG2 -0.02 0.00 0.01 -0.04 2.34 2.29 2v4eE1 GLU 206 HG3 -0.01 0.05 -0.23 -0.04 2.34 2.11 2v4eE1 ASP 207 H -0.04 -0.02 -0.15 -0.55 8.40 7.64 2v4eE1 ASP 207 HA 0.06 0.31 0.77 -0.75 4.63 5.02 2v4eE1 ASP 207 HB2 0.01 0.07 0.18 -0.04 2.71 2.93 2v4eE1 ASP 207 HB3 0.00 0.05 0.00 -0.04 2.70 2.71 2v4eE1 TYR 208 H -0.18 0.46 -0.34 -0.55 8.29 7.68 2v4eE1 TYR 208 HA -0.24 0.05 0.26 -0.75 4.56 3.87 2v4eE1 TYR 208 HB2 -0.14 0.16 -0.37 -0.04 3.06 2.68 2v4eE1 TYR 208 HB3 -0.21 -0.05 0.16 -0.04 2.98 2.84 2v4eE1 TYR 208 HD2 -0.40 -0.01 -0.05 -0.04 7.15 6.65 2v4eE1 TYR 208 HE2 -0.36 0.01 -0.02 -0.04 6.85 6.45 2v4eE1 THR 209 H -0.06 -0.05 -0.35 -0.55 8.28 7.27 2v4eE1 THR 209 HA -0.01 0.17 0.80 -0.75 4.39 4.60 2v4eE1 THR 209 HB -0.00 0.09 0.13 -0.04 4.32 4.50 2v4eE1 THR 209 HG23 0.01 0.05 -0.01 -0.04 1.22 1.23 2v4eE1 VAL 210 H -0.15 -0.02 -0.01 -0.55 8.24 7.50 2v4eE1 VAL 210 HA -0.14 0.44 0.82 -0.75 4.13 4.50 2v4eE1 VAL 210 HB -0.11 -0.15 0.11 -0.04 2.12 1.92 2v4eE1 VAL 210 HG13 -0.09 0.03 -0.05 -0.04 0.97 0.82 2v4eE1 VAL 210 HG23 -0.06 -0.00 -0.11 -0.04 0.95 0.74 2v4eE1 VAL 211 H -0.23 0.64 0.32 -0.55 8.24 8.42 2v4eE1 VAL 211 HA -0.26 0.18 1.12 -0.75 4.13 4.41 2v4eE1 VAL 211 HB -1.02 -0.02 -0.05 -0.04 2.12 0.99 2v4eE1 VAL 211 HG13 -0.54 0.01 -0.11 -0.04 0.97 0.29 2v4eE1 VAL 211 HG23 -0.95 -0.02 -0.31 -0.04 0.95 -0.37 2v4eE1 GLU 212 H -0.08 0.88 0.47 -0.55 8.60 9.32 2v4eE1 GLU 212 HA 0.01 0.29 1.29 -0.75 4.29 5.12 2v4eE1 GLU 212 HB2 -0.02 -0.13 0.19 -0.04 2.09 2.09 2v4eE1 GLU 212 HB3 0.02 0.08 0.09 -0.04 1.99 2.14 2v4eE1 GLU 212 HG2 -0.04 0.04 0.01 -0.04 2.34 2.31 2v4eE1 GLU 212 HG3 -0.07 -0.07 -0.19 -0.04 2.34 1.98 2v4eE1 GLN 213 H 0.11 0.68 0.46 -0.55 8.47 9.18 2v4eE1 GLN 213 HA 0.20 0.21 1.17 -0.75 4.36 5.18 2v4eE1 GLN 213 HB2 0.23 -0.03 0.03 -0.04 2.15 2.34 2v4eE1 GLN 213 HB3 0.24 0.07 -0.01 -0.04 2.02 2.27 2v4eE1 GLN 213 HG2 0.38 0.02 -0.14 -0.04 2.40 2.63 2v4eE1 GLN 213 HG3 0.32 -0.09 -0.34 -0.04 2.39 2.23 2v4eE1 GLN 213 HE21 0.50 0.19 -0.02 -0.04 6.97 7.60 2v4eE1 GLN 213 HE22 0.32 -0.00 -0.14 -0.04 7.69 7.83 2v4eE1 TYR 214 H 0.24 0.65 0.42 -0.55 8.29 9.05 2v4eE1 TYR 214 HA 0.06 0.32 0.88 -0.75 4.56 5.08 2v4eE1 TYR 214 HB2 0.05 -0.02 0.05 -0.04 3.06 3.11 2v4eE1 TYR 214 HB3 0.07 -0.07 0.15 -0.04 2.98 3.08 2v4eE1 TYR 214 HD2 0.05 -0.02 -0.06 -0.04 7.15 7.08 2v4eE1 TYR 214 HE2 0.04 -0.04 -0.07 -0.04 6.85 6.75 2v4eE1 GLU 215 H -0.45 0.53 0.26 -0.55 8.60 8.39 2v4eE1 GLU 215 HA -0.15 0.32 1.13 -0.75 4.29 4.83 2v4eE1 GLU 215 HB2 -0.05 -0.08 -0.16 -0.04 2.09 1.76 2v4eE1 GLU 215 HB3 -0.14 0.01 -0.05 -0.04 1.99 1.77 2v4eE1 GLU 215 HG2 -0.12 0.11 -0.47 -0.04 2.34 1.83 2v4eE1 GLU 215 HG3 -0.08 -0.07 -0.23 -0.04 2.34 1.93 2v4eE1 ARG 216 H -0.11 0.45 0.33 -0.55 8.46 8.58 2v4eE1 ARG 216 HA -0.13 0.41 1.07 -0.75 4.34 4.94 2v4eE1 ARG 216 HB2 0.09 -0.06 0.10 -0.04 1.90 1.99 2v4eE1 ARG 216 HB3 0.03 -0.08 0.15 -0.04 1.80 1.86 2v4eE1 ARG 216 HG2 0.01 0.04 -0.11 -0.04 1.67 1.57 2v4eE1 ARG 216 HG3 0.05 0.04 0.03 -0.04 1.67 1.75 2v4eE1 ARG 216 HD2 0.10 -0.04 -0.02 -0.04 3.22 3.22 2v4eE1 ARG 216 HD3 0.05 -0.05 -0.08 -0.04 3.22 3.10 2v4eE1 THR 217 H -0.03 0.57 0.31 -0.55 8.28 8.58 2v4eE1 THR 217 HA -0.05 0.18 0.79 -0.75 4.39 4.56 2v4eE1 THR 217 HB -0.08 -0.03 0.06 -0.04 4.32 4.23 2v4eE1 THR 217 HG23 -0.06 0.01 -0.28 -0.04 1.22 0.85 2v4eE1 GLU 218 H -0.05 0.41 0.28 -0.55 8.60 8.70 2v4eE1 GLU 218 HA -0.04 0.11 1.04 -0.75 4.29 4.64 2v4eE1 GLU 218 HB2 -0.02 -0.11 0.07 -0.04 2.09 1.98 2v4eE1 GLU 218 HB3 -0.02 0.15 0.05 -0.04 1.99 2.12 2v4eE1 GLU 218 HG2 0.01 0.14 -0.09 -0.04 2.34 2.36 2v4eE1 GLU 218 HG3 -0.00 -0.11 -0.32 -0.04 2.34 1.86 2v4eE1 ALA 219 H -0.18 0.76 0.28 -0.55 8.40 8.71 2v4eE1 ALA 219 HA -0.07 0.15 0.97 -0.75 4.34 4.65 2v4eE1 ALA 219 HB3 -0.55 -0.02 0.12 -0.04 1.41 0.92 2v4eE1 ARG 220 H 0.08 0.71 0.41 -0.55 8.46 9.12 2v4eE1 ARG 220 HA -0.08 -0.01 0.44 -0.75 4.34 3.94 2v4eE1 ARG 220 HB2 0.03 -0.00 0.12 -0.04 1.90 2.01 2v4eE1 ARG 220 HB3 -0.01 0.13 -0.05 -0.04 1.80 1.83 2v4eE1 ARG 220 HG2 0.01 -0.01 -0.24 -0.04 1.67 1.39 2v4eE1 ARG 220 HG3 0.06 -0.00 -0.26 -0.04 1.67 1.42 2v4eE1 ARG 220 HD2 -0.04 0.03 -0.06 -0.04 3.22 3.11 2v4eE1 ARG 220 HD3 -0.03 -0.00 -0.10 -0.04 3.22 3.05 2v4eE1 HIS 221 H 0.03 0.10 0.14 -0.55 8.41 8.13 2v4eE1 HIS 221 HA 0.23 0.09 0.81 -0.75 4.63 5.00 2v4eE1 HIS 221 HB2 0.09 0.02 0.09 -0.04 3.26 3.42 2v4eE1 HIS 221 HB3 0.14 -0.01 0.18 -0.04 3.20 3.47 2v4eE1 HIS 221 HD2 0.04 -0.01 0.03 -0.04 6.97 6.98 2v4eE1 HIS 221 HE1 0.04 0.04 -0.03 -0.04 7.75 7.75 2v4eE1 HIS 222 H 0.43 0.13 0.16 -0.55 8.41 8.58 2v4eE1 HIS 222 HA -0.13 0.11 0.53 -0.75 4.63 4.39 2v4eE1 HIS 222 HB2 0.22 0.10 0.11 -0.04 3.26 3.66 2v4eE1 HIS 222 HB3 0.12 -0.03 0.10 -0.04 3.20 3.35 2v4eE1 HIS 222 HD2 -0.30 0.07 0.01 -0.04 6.97 6.71 2v4eE1 HIS 222 HE1 -0.72 0.06 -0.02 -0.04 7.75 7.03 2v4eE1 LEU 223 H -0.68 0.16 0.13 -0.55 8.37 7.43 2v4eE1 LEU 223 HA -0.02 0.15 0.31 -0.75 4.35 4.04 2v4eE1 LEU 223 HB2 -0.49 -0.03 0.07 -0.04 1.64 1.15 2v4eE1 LEU 223 HB3 -0.05 0.04 0.05 -0.04 1.64 1.65 2v4eE1 LEU 223 HG -0.31 -0.02 0.07 -0.04 1.64 1.34 2v4eE1 LEU 223 HD13 -0.14 0.01 0.00 -0.04 0.93 0.76 2v4eE1 LEU 223 HD23 -0.06 0.03 -0.02 -0.04 0.89 0.79 2v4eE1 PHE 224 H 0.23 0.02 -0.27 -0.55 8.34 7.77 2v4eE1 PHE 224 HA 0.07 0.22 0.77 -0.75 4.62 4.93 2v4eE1 PHE 224 HB2 0.26 -0.02 -0.03 -0.04 3.15 3.31 2v4eE1 PHE 224 HB3 0.09 0.04 0.11 -0.04 3.06 3.26 2v4eE1 PHE 224 HD2 0.08 0.06 -0.23 -0.04 7.28 7.16 2v4eE1 PHE 224 HE2 0.03 0.02 -0.05 -0.04 7.38 7.34 2v4eE1 PHE 224 HZ 0.01 0.01 -0.02 -0.04 7.32 7.28 2v4eE1 LEU 225 H 0.27 0.28 -0.43 -0.55 8.37 7.95 2v4eE1 LEU 225 HA 0.10 0.11 0.46 -0.75 4.35 4.27 2v4eE1 LEU 225 HB2 0.17 0.28 0.10 -0.04 1.64 2.15 2v4eE1 LEU 225 HB3 -0.01 0.00 0.07 -0.04 1.64 1.66 2v4eE1 LEU 225 HG 0.04 0.04 0.07 -0.04 1.64 1.74 2v4eE1 LEU 225 HD13 0.09 -0.01 -0.03 -0.04 0.93 0.94 2v4eE1 LEU 225 HD23 0.29 -0.07 0.16 -0.04 0.89 1.23