============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 1 0.840 24.684 26.194 45.797 -99.200 -91.000 PHE 19 1.000 44.506 21.950 50.616 -99.200 -91.000 TRP 22 1.040 37.016 19.812 53.202 -99.200 -91.000 TRP6 22 1.020 37.290 20.747 55.352 -99.200 -91.000 HIS 45 0.900 61.169 44.019 67.491 -99.200 -91.000 TYR 49 0.840 54.673 42.612 61.085 -99.200 -91.000 HIS 57 0.900 53.539 20.983 43.225 -99.200 -91.000 TYR 58 0.840 47.794 19.942 47.202 -99.200 -91.000 PHE 65 1.000 54.389 31.554 50.295 -99.200 -91.000 TYR 66 0.840 56.123 29.987 42.738 -99.200 -91.000 HIS 75 0.900 64.026 41.417 53.589 -99.200 -91.000 PHE 87 1.000 44.860 26.612 52.069 -99.200 -91.000 TRP 89 1.040 38.756 27.323 51.207 -99.200 -91.000 TRP6 89 1.020 39.870 25.265 51.337 -99.200 -91.000 HIS 90 0.900 34.732 33.629 55.367 -99.200 -91.000 PHE 113 1.000 64.558 41.484 45.052 -99.200 -91.000 TRP 114 1.040 58.501 36.359 41.845 -99.200 -91.000 TRP6 114 1.020 57.019 37.794 43.032 -99.200 -91.000 PHE 117 1.000 60.297 32.063 51.348 -99.200 -91.000 PHE 126 1.000 41.958 18.685 56.817 -99.200 -91.000 TRP 127 1.040 36.323 25.279 63.093 -99.200 -91.000 TRP6 127 1.020 34.500 26.377 62.016 -99.200 -91.000 HIS 132 0.900 22.511 21.508 67.965 -99.200 -91.000 HIS 135 0.900 31.765 26.019 65.319 -99.200 -91.000 PHE 138 1.000 37.537 14.756 63.289 -99.200 -91.000 TYR 140 0.840 44.745 14.141 59.093 -99.200 -91.000 TRP 147 1.040 50.127 12.402 57.792 -99.200 -91.000 TRP6 147 1.020 50.635 14.664 58.109 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1wv4B1 TYR 17 HA -0.01 -0.06 0.15 -0.75 4.56 3.89 1wv4B1 TYR 17 HB2 -0.02 0.03 0.18 -0.04 3.06 3.21 1wv4B1 TYR 17 HB3 -0.01 -0.04 0.08 -0.04 2.98 2.97 1wv4B1 TYR 17 HD2 -0.02 0.01 0.04 -0.04 7.15 7.13 1wv4B1 TYR 17 HE2 -0.02 0.01 0.01 -0.04 6.85 6.80 1wv4B1 THR 18 H -0.11 0.18 0.07 -0.55 8.28 7.87 1wv4B1 THR 18 HA -0.11 0.02 0.43 -0.75 4.39 3.98 1wv4B1 THR 18 HB -0.00 0.01 -0.24 -0.04 4.32 4.05 1wv4B1 THR 18 HG23 -0.03 -0.01 -0.14 -0.04 1.22 1.01 1wv4B1 LYS 19 H -0.06 0.19 0.12 -0.55 8.42 8.12 1wv4B1 LYS 19 HA -0.03 0.05 0.44 -0.75 4.32 4.02 1wv4B1 LYS 19 HB2 -0.12 0.00 0.02 -0.04 1.87 1.73 1wv4B1 LYS 19 HB3 -0.07 -0.01 -0.01 -0.04 1.79 1.65 1wv4B1 LYS 19 HG2 -0.06 -0.04 0.04 -0.04 1.46 1.36 1wv4B1 LYS 19 HG3 -0.05 0.56 0.30 -0.04 1.46 2.22 1wv4B1 LYS 19 HD2 -0.14 -0.11 -0.31 -0.04 1.69 1.09 1wv4B1 LYS 19 HD3 -0.17 -0.04 -0.07 -0.04 1.68 1.35 1wv4B1 LYS 19 HE2 -0.09 -0.05 -0.01 -0.04 2.99 2.80 1wv4B1 LYS 19 HE3 -0.06 0.19 -0.01 -0.04 2.99 3.06 1wv4B1 GLY 20 H -0.02 0.29 0.08 -0.55 8.43 8.23 1wv4B1 GLY 20 HA2 -0.03 0.06 0.62 -0.51 4.01 4.16 1wv4B1 GLY 20 HA3 -0.02 0.00 0.25 -0.51 4.01 3.73 1wv4B1 GLY 21 H -0.00 0.12 -0.04 -0.55 8.43 7.96 1wv4B1 GLY 21 HA2 0.01 -0.01 0.31 -0.51 4.01 3.80 1wv4B1 GLY 21 HA3 0.02 0.21 0.83 -0.51 4.01 4.56 1wv4B1 LEU 22 H 0.08 0.20 0.00 -0.55 8.37 8.11 1wv4B1 LEU 22 HA 0.11 0.20 0.75 -0.75 4.35 4.65 1wv4B1 LEU 22 HB2 0.27 0.02 -0.14 -0.04 1.64 1.75 1wv4B1 LEU 22 HB3 0.27 -0.01 0.11 -0.04 1.64 1.97 1wv4B1 LEU 22 HG 0.16 -0.01 -0.27 -0.04 1.64 1.48 1wv4B1 LEU 22 HD13 0.13 0.01 -0.07 -0.04 0.93 0.95 1wv4B1 LEU 22 HD23 0.44 -0.00 -0.19 -0.04 0.89 1.10 1wv4B1 ARG 23 H 0.03 0.20 -0.02 -0.55 8.46 8.12 1wv4B1 ARG 23 HA 0.23 0.23 0.88 -0.75 4.34 4.93 1wv4B1 ARG 23 HB2 0.04 -0.02 0.08 -0.04 1.90 1.96 1wv4B1 ARG 23 HB3 0.05 0.06 -0.02 -0.04 1.80 1.85 1wv4B1 ARG 23 HG2 0.00 0.03 0.01 -0.04 1.67 1.67 1wv4B1 ARG 23 HG3 -0.02 -0.17 -0.15 -0.04 1.67 1.29 1wv4B1 ARG 23 HD2 -0.01 0.04 -0.07 -0.04 3.22 3.14 1wv4B1 ARG 23 HD3 0.01 0.02 -0.03 -0.04 3.22 3.17 1wv4B1 ARG 24 H 0.12 0.20 0.13 -0.55 8.46 8.36 1wv4B1 ARG 24 HA -0.61 0.10 0.32 -0.75 4.34 3.40 1wv4B1 ARG 24 HB2 0.02 -0.04 0.12 -0.04 1.90 1.96 1wv4B1 ARG 24 HB3 -0.07 0.06 -0.08 -0.04 1.80 1.67 1wv4B1 ARG 24 HG2 -0.06 0.03 0.03 -0.04 1.67 1.64 1wv4B1 ARG 24 HG3 0.34 0.00 0.07 -0.04 1.67 2.05 1wv4B1 ARG 24 HD2 0.06 -0.01 0.02 -0.04 3.22 3.26 1wv4B1 ARG 24 HD3 0.00 0.02 -0.00 -0.04 3.22 3.20 1wv4B1 ARG 25 H -0.06 0.01 -0.49 -0.55 8.46 7.36 1wv4B1 ARG 25 HA -0.08 0.19 0.58 -0.75 4.34 4.28 1wv4B1 ARG 25 HB2 -0.04 0.05 0.13 -0.04 1.90 2.00 1wv4B1 ARG 25 HB3 -0.03 -0.02 0.03 -0.04 1.80 1.74 1wv4B1 ARG 25 HG2 -0.03 -0.12 -0.10 -0.04 1.67 1.39 1wv4B1 ARG 25 HG3 -0.03 0.06 -0.18 -0.04 1.67 1.48 1wv4B1 ARG 25 HD2 -0.01 -0.01 -0.04 -0.04 3.22 3.13 1wv4B1 ARG 25 HD3 -0.01 0.03 -0.02 -0.04 3.22 3.17 1wv4B1 ASP 26 H -0.15 0.47 -0.26 -0.55 8.40 7.92 1wv4B1 ASP 26 HA -0.07 0.17 0.80 -0.75 4.63 4.78 1wv4B1 ASP 26 HB2 -0.09 0.04 -0.05 -0.04 2.71 2.56 1wv4B1 ASP 26 HB3 -0.06 -0.00 0.09 -0.04 2.70 2.69 1wv4B1 LEU 27 H -0.20 0.17 -0.25 -0.55 8.37 7.54 1wv4B1 LEU 27 HA -0.24 0.08 0.44 -0.75 4.35 3.88 1wv4B1 LEU 27 HB2 -0.32 0.28 0.18 -0.04 1.64 1.74 1wv4B1 LEU 27 HB3 -0.22 0.04 -0.05 -0.04 1.64 1.37 1wv4B1 LEU 27 HG -0.28 0.03 -0.07 -0.04 1.64 1.28 1wv4B1 LEU 27 HD13 -0.59 0.00 -0.20 -0.04 0.93 0.10 1wv4B1 LEU 27 HD23 -0.75 -0.04 -0.05 -0.04 0.89 0.01 1wv4B1 PRO 28 HA -0.06 0.12 0.55 -0.51 4.44 4.54 1wv4B1 PRO 28 HB2 -0.09 -0.11 0.03 -0.04 2.28 2.06 1wv4B1 PRO 28 HB3 -0.10 0.08 0.04 -0.04 2.02 2.00 1wv4B1 PRO 28 HG2 -0.24 -0.00 -0.08 -0.04 2.03 1.67 1wv4B1 PRO 28 HG3 -0.22 -0.01 -0.07 -0.04 2.03 1.69 1wv4B1 PRO 28 HD2 -0.28 0.02 0.18 -0.04 3.68 3.56 1wv4B1 PRO 28 HD3 -0.18 0.39 0.20 -0.04 3.65 4.01 1wv4B1 ALA 29 H -0.02 0.09 0.13 -0.55 8.40 8.06 1wv4B1 ALA 29 HA 0.06 0.16 0.42 -0.75 4.34 4.23 1wv4B1 ALA 29 HB3 0.05 -0.00 0.09 -0.04 1.41 1.51 1wv4B1 ASP 30 H -0.03 0.05 -0.08 -0.55 8.40 7.79 1wv4B1 ASP 30 HA -0.10 0.30 0.88 -0.75 4.63 4.96 1wv4B1 ASP 30 HB2 0.05 0.07 0.03 -0.04 2.71 2.82 1wv4B1 ASP 30 HB3 -0.03 -0.06 0.12 -0.04 2.70 2.69 1wv4B1 PRO 31 HA -0.89 0.12 0.39 -0.51 4.44 3.55 1wv4B1 PRO 31 HB2 -0.77 0.04 -0.06 -0.04 2.28 1.45 1wv4B1 PRO 31 HB3 -2.47 0.12 0.03 -0.04 2.02 -0.35 1wv4B1 PRO 31 HG2 -0.89 -0.08 0.04 -0.04 2.03 1.06 1wv4B1 PRO 31 HG3 -2.53 0.12 0.00 -0.04 2.03 -0.41 1wv4B1 PRO 31 HD2 -0.88 0.06 0.23 -0.04 3.68 3.05 1wv4B1 PRO 31 HD3 -1.29 0.30 0.11 -0.04 3.65 2.73 1wv4B1 LEU 32 H -0.25 0.17 -0.24 -0.55 8.37 7.52 1wv4B1 LEU 32 HA -0.02 0.08 0.28 -0.75 4.35 3.93 1wv4B1 LEU 32 HB2 0.07 0.00 -0.09 -0.04 1.64 1.57 1wv4B1 LEU 32 HB3 0.26 0.04 -0.03 -0.04 1.64 1.87 1wv4B1 LEU 32 HG -0.00 -0.00 -0.05 -0.04 1.64 1.55 1wv4B1 LEU 32 HD13 0.19 0.03 -0.29 -0.04 0.93 0.82 1wv4B1 LEU 32 HD23 -0.16 0.02 -0.14 -0.04 0.89 0.57 1wv4B1 THR 33 H -0.13 0.54 -0.62 -0.55 8.28 7.52 1wv4B1 THR 33 HA 0.00 0.06 0.45 -0.75 4.39 4.15 1wv4B1 THR 33 HB -0.11 0.13 0.10 -0.04 4.32 4.39 1wv4B1 THR 33 HG23 -0.05 0.00 -0.02 -0.04 1.22 1.12 1wv4B1 LEU 34 H -0.28 0.39 -0.03 -0.55 8.37 7.90 1wv4B1 LEU 34 HA -0.30 0.08 0.47 -0.75 4.35 3.85 1wv4B1 LEU 34 HB2 -0.59 0.02 0.10 -0.04 1.64 1.12 1wv4B1 LEU 34 HB3 -1.00 0.09 0.09 -0.04 1.64 0.77 1wv4B1 LEU 34 HG -1.45 -0.03 -0.08 -0.04 1.64 0.04 1wv4B1 LEU 34 HD13 -0.44 0.00 0.04 -0.04 0.93 0.49 1wv4B1 LEU 34 HD23 -1.32 0.01 -0.06 -0.04 0.89 -0.53 1wv4B1 PHE 35 H 0.04 0.33 -0.28 -0.55 8.34 7.88 1wv4B1 PHE 35 HA 0.10 0.08 0.31 -0.75 4.62 4.36 1wv4B1 PHE 35 HB2 -0.12 0.01 -0.04 -0.04 3.15 2.96 1wv4B1 PHE 35 HB3 -0.18 0.05 0.08 -0.04 3.06 2.97 1wv4B1 PHE 35 HD2 -0.50 0.01 -0.12 -0.04 7.28 6.63 1wv4B1 PHE 35 HE2 -1.08 0.01 -0.10 -0.04 7.38 6.17 1wv4B1 PHE 35 HZ -0.77 0.06 -0.09 -0.04 7.32 6.48 1wv4B1 GLU 36 H 0.11 0.51 -0.15 -0.55 8.60 8.52 1wv4B1 GLU 36 HA -0.04 0.01 0.36 -0.75 4.29 3.87 1wv4B1 GLU 36 HB2 0.27 0.06 0.13 -0.04 2.09 2.51 1wv4B1 GLU 36 HB3 0.07 0.10 0.13 -0.04 1.99 2.25 1wv4B1 GLU 36 HG2 0.11 -0.01 0.00 -0.04 2.34 2.40 1wv4B1 GLU 36 HG3 0.05 0.00 -0.10 -0.04 2.34 2.25 1wv4B1 ARG 37 H -0.04 0.37 -0.35 -0.55 8.46 7.88 1wv4B1 ARG 37 HA 0.00 -0.00 0.31 -0.75 4.34 3.89 1wv4B1 ARG 37 HB2 -0.04 0.13 0.16 -0.04 1.90 2.12 1wv4B1 ARG 37 HB3 0.10 0.05 0.01 -0.04 1.80 1.91 1wv4B1 ARG 37 HG2 0.05 -0.02 0.04 -0.04 1.67 1.70 1wv4B1 ARG 37 HG3 0.01 -0.04 0.05 -0.04 1.67 1.65 1wv4B1 ARG 37 HD2 0.01 -0.02 0.01 -0.04 3.22 3.18 1wv4B1 ARG 37 HD3 -0.02 -0.01 0.01 -0.04 3.22 3.16 1wv4B1 TRP 38 H 0.09 0.47 -0.24 -0.55 7.97 7.74 1wv4B1 TRP 38 HA -0.25 0.02 0.56 -0.75 4.62 4.20 1wv4B1 TRP 38 HB2 0.03 0.15 0.18 -0.04 3.23 3.55 1wv4B1 TRP 38 HB3 -0.09 -0.06 -0.02 -0.04 3.23 3.02 1wv4B1 TRP 38 HD1 -0.06 -0.08 -0.24 -0.04 7.22 6.80 1wv4B1 TRP 38 HE1 0.01 -0.01 -0.06 -0.04 10.20 10.10 1wv4B1 TRP 38 HE3 0.63 -0.02 -0.06 -0.04 7.59 8.10 1wv4B1 TRP 38 HZ2 0.14 -0.03 -0.11 -0.04 7.44 7.40 1wv4B1 TRP 38 HZ3 0.42 0.11 0.14 -0.04 7.13 7.76 1wv4B1 TRP 38 HH2 0.35 0.01 -0.30 -0.04 7.19 7.22 1wv4B1 LEU 39 H -0.37 0.60 -0.01 -0.55 8.37 8.05 1wv4B1 LEU 39 HA -0.75 0.06 0.40 -0.75 4.35 3.31 1wv4B1 LEU 39 HB2 -0.71 -0.00 0.01 -0.04 1.64 0.90 1wv4B1 LEU 39 HB3 -0.27 0.02 0.07 -0.04 1.64 1.41 1wv4B1 LEU 39 HG -0.02 -0.01 -0.20 -0.04 1.64 1.36 1wv4B1 LEU 39 HD13 0.19 -0.02 -0.13 -0.04 0.93 0.93 1wv4B1 LEU 39 HD23 0.21 -0.01 -0.10 -0.04 0.89 0.94 1wv4B1 SER 40 H -0.14 0.57 -0.17 -0.55 8.46 8.17 1wv4B1 SER 40 HA -0.08 0.03 0.44 -0.75 4.49 4.13 1wv4B1 SER 40 HB2 -0.06 0.08 0.14 -0.04 3.95 4.07 1wv4B1 SER 40 HB3 -0.05 -0.04 -0.03 -0.04 3.93 3.77 1wv4B1 GLN 41 H -0.14 0.47 -0.05 -0.55 8.47 8.20 1wv4B1 GLN 41 HA -0.12 -0.02 0.37 -0.75 4.36 3.84 1wv4B1 GLN 41 HB2 -0.26 0.07 0.15 -0.04 2.15 2.07 1wv4B1 GLN 41 HB3 -0.18 -0.04 0.06 -0.04 2.02 1.82 1wv4B1 GLN 41 HG2 -0.06 -0.09 0.08 -0.04 2.40 2.29 1wv4B1 GLN 41 HG3 -0.06 0.46 0.28 -0.04 2.39 3.04 1wv4B1 GLN 41 HE21 0.05 -0.05 -0.02 -0.04 6.97 6.91 1wv4B1 GLN 41 HE22 0.02 -0.04 0.02 -0.04 7.69 7.65 1wv4B1 ALA 42 H -0.50 0.53 -0.37 -0.55 8.40 7.52 1wv4B1 ALA 42 HA -0.41 -0.09 0.28 -0.75 4.34 3.37 1wv4B1 ALA 42 HB3 -0.92 0.02 0.04 -0.04 1.41 0.50 1wv4B1 CYS 43 H -0.20 0.35 -0.17 -0.55 8.50 7.94 1wv4B1 CYS 43 HA -0.05 0.08 0.46 -0.75 4.58 4.32 1wv4B1 CYS 43 HB2 -0.03 -0.11 0.12 -0.04 2.97 2.91 1wv4B1 CYS 43 HB3 -0.07 0.05 0.23 -0.04 2.97 3.14 1wv4B1 GLU 44 H -0.10 0.65 -0.10 -0.55 8.60 8.50 1wv4B1 GLU 44 HA -0.03 -0.10 0.35 -0.75 4.29 3.76 1wv4B1 GLU 44 HB2 -0.07 0.04 0.17 -0.04 2.09 2.19 1wv4B1 GLU 44 HB3 -0.02 -0.06 -0.05 -0.04 1.99 1.81 1wv4B1 GLU 44 HG2 -0.02 -0.06 -0.01 -0.04 2.34 2.21 1wv4B1 GLU 44 HG3 -0.03 -0.02 -0.02 -0.04 2.34 2.23 1wv4B1 ALA 45 H -0.09 0.64 -0.02 -0.55 8.40 8.39 1wv4B1 ALA 45 HA 0.04 -0.05 0.39 -0.75 4.34 3.97 1wv4B1 ALA 45 HB3 -0.10 -0.05 0.06 -0.04 1.41 1.28 1wv4B1 LYS 46 H 0.01 -0.02 0.10 -0.55 8.42 7.95 1wv4B1 LYS 46 HA 0.01 0.11 0.34 -0.75 4.32 4.03 1wv4B1 LYS 46 HB2 0.02 -0.03 -0.00 -0.04 1.87 1.82 1wv4B1 LYS 46 HB3 0.04 -0.00 0.12 -0.04 1.79 1.91 1wv4B1 LYS 46 HG2 -0.01 0.03 0.12 -0.04 1.46 1.56 1wv4B1 LYS 46 HG3 -0.02 -0.29 0.13 -0.04 1.46 1.24 1wv4B1 LYS 46 HD2 0.02 -0.01 0.01 -0.04 1.69 1.66 1wv4B1 LYS 46 HD3 0.03 0.02 0.03 -0.04 1.68 1.72 1wv4B1 LYS 46 HE2 -0.01 -0.05 0.03 -0.04 2.99 2.92 1wv4B1 LYS 46 HE3 0.01 -0.01 0.02 -0.04 2.99 2.98 1wv4B1 LEU 47 H -0.04 -0.08 -0.05 -0.55 8.37 7.66 1wv4B1 LEU 47 HA -0.01 -0.15 0.31 -0.75 4.35 3.75 1wv4B1 LEU 47 HB2 -0.10 0.60 -0.20 -0.04 1.64 1.90 1wv4B1 LEU 47 HB3 -0.03 -0.04 -0.19 -0.04 1.64 1.33 1wv4B1 LEU 47 HG -0.24 0.01 -0.02 -0.04 1.64 1.35 1wv4B1 LEU 47 HD13 0.03 -0.03 -0.06 -0.04 0.93 0.84 1wv4B1 LEU 47 HD23 -0.09 -0.05 -0.01 -0.04 0.89 0.70 1wv4B1 ALA 48 H 0.03 0.00 0.03 -0.55 8.40 7.91 1wv4B1 ALA 48 HA 0.04 0.18 0.67 -0.75 4.34 4.48 1wv4B1 ALA 48 HB3 0.04 -0.02 0.06 -0.04 1.41 1.45 1wv4B1 ASP 49 H 0.06 0.16 0.19 -0.55 8.40 8.27 1wv4B1 ASP 49 HA 0.10 -0.01 0.34 -0.75 4.63 4.31 1wv4B1 ASP 49 HB2 0.08 0.33 0.05 -0.04 2.71 3.12 1wv4B1 ASP 49 HB3 0.09 -0.12 0.21 -0.04 2.70 2.84 1wv4B1 PRO 50 HA 0.26 0.07 0.19 -0.51 4.44 4.45 1wv4B1 PRO 50 HB2 0.10 -0.03 -0.03 -0.04 2.28 2.28 1wv4B1 PRO 50 HB3 -0.04 0.04 -0.09 -0.04 2.02 1.89 1wv4B1 PRO 50 HG2 0.02 0.03 0.07 -0.04 2.03 2.11 1wv4B1 PRO 50 HG3 0.01 0.41 -0.06 -0.04 2.03 2.35 1wv4B1 PRO 50 HD2 0.10 -0.00 0.14 -0.04 3.68 3.88 1wv4B1 PRO 50 HD3 0.07 -0.01 0.25 -0.04 3.65 3.92 1wv4B1 THR 51 H 0.21 0.03 -0.36 -0.55 8.28 7.60 1wv4B1 THR 51 HA 0.47 0.17 0.62 -0.75 4.39 4.89 1wv4B1 THR 51 HB 0.27 -0.03 0.21 -0.04 4.32 4.72 1wv4B1 THR 51 HG23 0.23 0.01 -0.02 -0.04 1.22 1.40 1wv4B1 ALA 52 H 0.19 0.64 -0.23 -0.55 8.40 8.46 1wv4B1 ALA 52 HA 0.04 -0.00 0.57 -0.75 4.34 4.19 1wv4B1 ALA 52 HB3 0.05 -0.01 0.10 -0.04 1.41 1.51 1wv4B1 MET 53 H -0.15 0.67 0.47 -0.55 8.47 8.91 1wv4B1 MET 53 HA -0.50 0.26 0.89 -0.75 4.52 4.42 1wv4B1 MET 53 HB2 -0.87 -0.11 -0.10 -0.04 2.15 1.03 1wv4B1 MET 53 HB3 -1.31 0.06 -0.19 -0.04 2.03 0.55 1wv4B1 MET 53 HG2 -0.20 0.13 0.04 -0.04 2.63 2.56 1wv4B1 MET 53 HG3 -0.36 -0.08 -0.14 -0.04 2.56 1.94 1wv4B1 MET 53 HE3 -0.06 -0.01 -0.29 -0.04 2.10 1.71 1wv4B1 VAL 54 H -0.35 0.52 0.32 -0.55 8.24 8.18 1wv4B1 VAL 54 HA -0.18 0.12 0.67 -0.75 4.13 3.98 1wv4B1 VAL 54 HB -0.18 -0.00 0.22 -0.04 2.12 2.11 1wv4B1 VAL 54 HG13 -0.11 -0.02 -0.21 -0.04 0.97 0.59 1wv4B1 VAL 54 HG23 -0.13 0.01 -0.03 -0.04 0.95 0.76 1wv4B1 VAL 55 H -0.22 0.65 0.41 -0.55 8.24 8.53 1wv4B1 VAL 55 HA -0.20 0.32 1.12 -0.75 4.13 4.61 1wv4B1 VAL 55 HB -0.42 -0.04 -0.02 -0.04 2.12 1.60 1wv4B1 VAL 55 HG13 -0.34 0.01 0.07 -0.04 0.97 0.67 1wv4B1 VAL 55 HG23 -0.17 -0.01 -0.15 -0.04 0.95 0.57 1wv4B1 ALA 56 H -0.11 0.54 0.41 -0.55 8.40 8.69 1wv4B1 ALA 56 HA -0.05 0.31 1.04 -0.75 4.34 4.88 1wv4B1 ALA 56 HB3 -0.06 -0.03 0.06 -0.04 1.41 1.34 1wv4B1 THR 57 H 0.01 0.46 0.45 -0.55 8.28 8.65 1wv4B1 THR 57 HA -0.04 0.28 0.83 -0.75 4.39 4.71 1wv4B1 THR 57 HB -0.06 0.05 0.06 -0.04 4.32 4.34 1wv4B1 THR 57 HG23 -0.09 -0.01 -0.25 -0.04 1.22 0.83 1wv4B1 VAL 58 H -0.01 0.40 0.16 -0.55 8.24 8.23 1wv4B1 VAL 58 HA 0.08 0.30 0.84 -0.75 4.13 4.60 1wv4B1 VAL 58 HB -0.00 0.01 0.00 -0.04 2.12 2.10 1wv4B1 VAL 58 HG13 0.02 0.01 -0.31 -0.04 0.97 0.66 1wv4B1 VAL 58 HG23 -0.00 0.01 -0.29 -0.04 0.95 0.63 1wv4B1 ASP 59 H 0.15 0.43 0.19 -0.55 8.40 8.62 1wv4B1 ASP 59 HA -0.04 0.21 0.74 -0.75 4.63 4.78 1wv4B1 ASP 59 HB2 -0.06 -0.05 0.20 -0.04 2.71 2.75 1wv4B1 ASP 59 HB3 -0.05 0.07 0.08 -0.04 2.70 2.77 1wv4B1 GLU 60 H -0.15 0.15 0.14 -0.55 8.60 8.19 1wv4B1 GLU 60 HA -0.09 0.19 0.38 -0.75 4.29 4.01 1wv4B1 GLU 60 HB2 -0.19 0.04 0.08 -0.04 2.09 1.97 1wv4B1 GLU 60 HB3 -0.12 0.07 0.12 -0.04 1.99 2.02 1wv4B1 GLU 60 HG2 -0.21 -0.03 0.12 -0.04 2.34 2.19 1wv4B1 GLU 60 HG3 -0.72 -0.04 0.01 -0.04 2.34 1.55 1wv4B1 HIS 61 H -0.17 -0.02 -0.33 -0.55 8.41 7.34 1wv4B1 HIS 61 HA 0.01 0.20 0.67 -0.75 4.63 4.76 1wv4B1 HIS 61 HB2 0.04 -0.07 -0.03 -0.04 3.26 3.16 1wv4B1 HIS 61 HB3 0.02 0.05 0.07 -0.04 3.20 3.30 1wv4B1 HIS 61 HD2 0.06 -0.01 -0.00 -0.04 6.97 6.98 1wv4B1 HIS 61 HE1 0.01 0.02 -0.04 -0.04 7.75 7.71 1wv4B1 GLY 62 H 0.05 0.31 -0.17 -0.55 8.43 8.07 1wv4B1 GLY 62 HA2 0.03 0.06 0.21 -0.51 4.01 3.80 1wv4B1 GLY 62 HA3 0.04 0.19 0.76 -0.51 4.01 4.49 1wv4B1 GLN 63 H 0.12 -0.12 -0.05 -0.55 8.47 7.87 1wv4B1 GLN 63 HA 0.00 0.25 0.74 -0.75 4.36 4.59 1wv4B1 GLN 63 HB2 0.07 0.00 -0.00 -0.04 2.15 2.18 1wv4B1 GLN 63 HB3 0.23 -0.18 0.11 -0.04 2.02 2.14 1wv4B1 GLN 63 HG2 -0.22 -0.09 -0.03 -0.04 2.40 2.01 1wv4B1 GLN 63 HG3 -0.39 0.28 -0.24 -0.04 2.39 1.99 1wv4B1 GLN 63 HE21 -0.15 -0.08 0.04 -0.04 6.97 6.74 1wv4B1 GLN 63 HE22 -0.29 0.34 0.09 -0.04 7.69 7.79 1wv4B1 PRO 64 HA 0.05 0.42 0.92 -0.51 4.44 5.32 1wv4B1 PRO 64 HB2 -0.04 -0.01 0.00 -0.04 2.28 2.19 1wv4B1 PRO 64 HB3 -0.02 0.03 0.07 -0.04 2.02 2.06 1wv4B1 PRO 64 HG2 -0.10 -0.02 0.05 -0.04 2.03 1.92 1wv4B1 PRO 64 HG3 -0.05 0.02 0.05 -0.04 2.03 2.01 1wv4B1 PRO 64 HD2 -0.06 0.03 0.29 -0.04 3.68 3.90 1wv4B1 PRO 64 HD3 -0.02 0.25 0.19 -0.04 3.65 4.02 1wv4B1 TYR 65 H 0.10 0.52 0.39 -0.55 8.29 8.75 1wv4B1 TYR 65 HA -0.03 0.13 0.79 -0.75 4.56 4.69 1wv4B1 TYR 65 HB2 -0.04 -0.03 -0.08 -0.04 3.06 2.87 1wv4B1 TYR 65 HB3 -0.03 0.00 -0.10 -0.04 2.98 2.81 1wv4B1 TYR 65 HD2 -0.02 0.04 -0.20 -0.04 7.15 6.94 1wv4B1 TYR 65 HE2 0.01 -0.06 -0.04 -0.04 6.85 6.73 1wv4B1 GLN 66 H 0.03 0.19 0.18 -0.55 8.47 8.32 1wv4B1 GLN 66 HA -0.03 0.40 1.07 -0.75 4.36 5.05 1wv4B1 GLN 66 HB2 -0.04 -0.03 0.01 -0.04 2.15 2.04 1wv4B1 GLN 66 HB3 -0.06 -0.00 -0.10 -0.04 2.02 1.82 1wv4B1 GLN 66 HG2 -0.06 0.10 -0.18 -0.04 2.40 2.21 1wv4B1 GLN 66 HG3 -0.05 -0.09 -0.46 -0.04 2.39 1.76 1wv4B1 GLN 66 HE21 -0.09 -0.00 -0.11 -0.04 6.97 6.73 1wv4B1 GLN 66 HE22 -0.09 0.03 -0.18 -0.04 7.69 7.42 1wv4B1 ARG 67 H -0.08 0.45 0.26 -0.55 8.46 8.54 1wv4B1 ARG 67 HA -0.04 0.03 0.49 -0.75 4.34 4.07 1wv4B1 ARG 67 HB2 -0.02 -0.00 0.17 -0.04 1.90 2.01 1wv4B1 ARG 67 HB3 -0.01 0.08 -0.13 -0.04 1.80 1.71 1wv4B1 ARG 67 HG2 -0.09 0.10 -0.36 -0.04 1.67 1.27 1wv4B1 ARG 67 HG3 -0.03 -0.07 -0.07 -0.04 1.67 1.46 1wv4B1 ARG 67 HD2 -0.08 0.11 0.03 -0.04 3.22 3.24 1wv4B1 ARG 67 HD3 -0.10 -0.02 -0.09 -0.04 3.22 2.96 1wv4B1 ILE 68 H -0.05 0.11 0.19 -0.55 8.25 7.95 1wv4B1 ILE 68 HA -0.13 0.24 0.79 -0.75 4.18 4.32 1wv4B1 ILE 68 HB -0.03 -0.05 0.13 -0.04 1.89 1.90 1wv4B1 ILE 68 HG12 -0.08 0.05 -0.14 -0.04 1.49 1.28 1wv4B1 ILE 68 HG13 -0.06 -0.10 -0.02 -0.04 1.21 1.00 1wv4B1 ILE 68 HG23 -0.04 -0.00 -0.16 -0.04 0.93 0.69 1wv4B1 ILE 68 HD13 -0.02 0.01 -0.02 -0.04 0.88 0.81 1wv4B1 VAL 69 H -0.17 0.80 0.52 -0.55 8.24 8.83 1wv4B1 VAL 69 HA -0.02 0.09 0.66 -0.75 4.13 4.11 1wv4B1 VAL 69 HB -0.12 0.01 0.12 -0.04 2.12 2.09 1wv4B1 VAL 69 HG13 -0.23 -0.01 -0.23 -0.04 0.97 0.45 1wv4B1 VAL 69 HG23 -0.82 0.01 -0.18 -0.04 0.95 -0.07 1wv4B1 LEU 70 H 0.10 0.13 0.17 -0.55 8.37 8.23 1wv4B1 LEU 70 HA 0.08 0.22 0.77 -0.75 4.35 4.66 1wv4B1 LEU 70 HB2 0.18 -0.05 0.10 -0.04 1.64 1.83 1wv4B1 LEU 70 HB3 0.16 0.12 -0.09 -0.04 1.64 1.79 1wv4B1 LEU 70 HG 0.10 -0.06 -0.05 -0.04 1.64 1.59 1wv4B1 LEU 70 HD13 0.12 0.01 -0.03 -0.04 0.93 0.99 1wv4B1 LEU 70 HD23 0.10 0.00 -0.18 -0.04 0.89 0.77 1wv4B1 LEU 71 H 0.18 0.74 0.29 -0.55 8.37 9.04 1wv4B1 LEU 71 HA 0.21 0.06 0.56 -0.75 4.35 4.43 1wv4B1 LEU 71 HB2 0.37 0.01 0.10 -0.04 1.64 2.07 1wv4B1 LEU 71 HB3 0.37 -0.01 0.21 -0.04 1.64 2.16 1wv4B1 LEU 71 HG 0.32 -0.02 -0.33 -0.04 1.64 1.57 1wv4B1 LEU 71 HD13 0.22 0.03 0.06 -0.04 0.93 1.19 1wv4B1 LEU 71 HD23 0.38 -0.01 -0.10 -0.04 0.89 1.11 1wv4B1 LYS 72 H 0.19 0.87 0.51 -0.55 8.42 9.45 1wv4B1 LYS 72 HA 0.24 0.20 0.99 -0.75 4.32 4.99 1wv4B1 LYS 72 HB2 0.14 -0.01 -0.02 -0.04 1.87 1.94 1wv4B1 LYS 72 HB3 0.38 -0.03 -0.03 -0.04 1.79 2.08 1wv4B1 LYS 72 HG2 0.29 0.13 -0.06 -0.04 1.46 1.79 1wv4B1 LYS 72 HG3 0.66 -0.06 -0.02 -0.04 1.46 1.99 1wv4B1 LYS 72 HD2 0.27 -0.02 0.01 -0.04 1.69 1.92 1wv4B1 LYS 72 HD3 0.24 0.13 -0.14 -0.04 1.68 1.87 1wv4B1 LYS 72 HE2 0.26 -0.04 -0.06 -0.04 2.99 3.12 1wv4B1 LYS 72 HE3 0.28 -0.02 -0.02 -0.04 2.99 3.19 1wv4B1 HIS 73 H 0.23 0.32 0.30 -0.55 8.41 8.71 1wv4B1 HIS 73 HA 0.11 0.17 0.59 -0.75 4.63 4.74 1wv4B1 HIS 73 HB2 0.10 0.12 -0.15 -0.04 3.26 3.29 1wv4B1 HIS 73 HB3 0.06 -0.07 -0.08 -0.04 3.20 3.07 1wv4B1 HIS 73 HD2 0.03 -0.04 -0.25 -0.04 6.97 6.67 1wv4B1 HIS 73 HE1 -0.03 0.01 -0.03 -0.04 7.75 7.65 1wv4B1 TYR 74 H -1.02 0.26 0.12 -0.55 8.29 7.11 1wv4B1 TYR 74 HA -0.09 0.21 0.55 -0.75 4.56 4.47 1wv4B1 TYR 74 HB2 -0.10 0.07 0.13 -0.04 3.06 3.12 1wv4B1 TYR 74 HB3 -0.03 0.08 -0.14 -0.04 2.98 2.85 1wv4B1 TYR 74 HD2 0.02 0.01 -0.33 -0.04 7.15 6.82 1wv4B1 TYR 74 HE2 0.14 -0.01 -0.09 -0.04 6.85 6.85 1wv4B1 ASP 75 H 0.08 0.54 0.30 -0.55 8.40 8.77 1wv4B1 ASP 75 HA -0.01 0.15 0.52 -0.75 4.63 4.55 1wv4B1 ASP 75 HB2 0.04 -0.06 0.19 -0.04 2.71 2.84 1wv4B1 ASP 75 HB3 -0.04 0.14 -0.04 -0.04 2.70 2.73 1wv4B1 GLU 76 H 0.08 0.19 0.13 -0.55 8.60 8.46 1wv4B1 GLU 76 HA 0.15 0.08 0.33 -0.75 4.29 4.11 1wv4B1 GLU 76 HB2 0.08 0.05 -0.07 -0.04 2.09 2.11 1wv4B1 GLU 76 HB3 0.14 0.05 0.11 -0.04 1.99 2.25 1wv4B1 GLU 76 HG2 0.09 0.06 0.05 -0.04 2.34 2.50 1wv4B1 GLU 76 HG3 0.10 -0.03 0.12 -0.04 2.34 2.48 1wv4B1 LYS 77 H 0.08 0.01 -0.47 -0.55 8.42 7.49 1wv4B1 LYS 77 HA 0.05 0.14 0.63 -0.75 4.32 4.39 1wv4B1 LYS 77 HB2 0.06 0.02 -0.14 -0.04 1.87 1.77 1wv4B1 LYS 77 HB3 0.04 0.02 0.06 -0.04 1.79 1.87 1wv4B1 LYS 77 HG2 0.04 0.04 -0.05 -0.04 1.46 1.44 1wv4B1 LYS 77 HG3 0.06 -0.12 -0.05 -0.04 1.46 1.31 1wv4B1 LYS 77 HD2 0.05 0.00 -0.08 -0.04 1.69 1.63 1wv4B1 LYS 77 HD3 0.03 0.02 -0.05 -0.04 1.68 1.64 1wv4B1 LYS 77 HE2 0.04 -0.02 -0.04 -0.04 2.99 2.93 1wv4B1 LYS 77 HE3 0.02 0.02 -0.04 -0.04 2.99 2.95 1wv4B1 GLY 78 H 0.09 0.51 -0.10 -0.55 8.43 8.38 1wv4B1 GLY 78 HA2 0.06 0.08 0.21 -0.51 4.01 3.85 1wv4B1 GLY 78 HA3 0.06 0.16 0.63 -0.51 4.01 4.35 1wv4B1 MET 79 H 0.06 0.45 0.27 -0.55 8.47 8.71 1wv4B1 MET 79 HA 0.12 0.22 1.17 -0.75 4.52 5.27 1wv4B1 MET 79 HB2 0.07 -0.02 0.08 -0.04 2.15 2.24 1wv4B1 MET 79 HB3 0.10 0.05 0.09 -0.04 2.03 2.22 1wv4B1 MET 79 HG2 -0.10 0.03 -0.11 -0.04 2.63 2.41 1wv4B1 MET 79 HG3 -0.05 -0.01 -0.19 -0.04 2.56 2.27 1wv4B1 MET 79 HE3 -1.10 -0.01 -0.11 -0.04 2.10 0.84 1wv4B1 VAL 80 H 0.15 0.59 0.35 -0.55 8.24 8.78 1wv4B1 VAL 80 HA -0.05 0.44 1.30 -0.75 4.13 5.07 1wv4B1 VAL 80 HB 0.08 -0.12 0.08 -0.04 2.12 2.12 1wv4B1 VAL 80 HG13 -0.36 0.03 -0.16 -0.04 0.97 0.44 1wv4B1 VAL 80 HG23 0.07 0.00 -0.31 -0.04 0.95 0.68 1wv4B1 PHE 81 H -0.45 0.58 0.38 -0.55 8.34 8.30 1wv4B1 PHE 81 HA -0.13 0.16 0.77 -0.75 4.62 4.67 1wv4B1 PHE 81 HB2 -0.00 0.07 0.11 -0.04 3.15 3.28 1wv4B1 PHE 81 HB3 -0.02 -0.00 -0.23 -0.04 3.06 2.77 1wv4B1 PHE 81 HD2 -0.02 0.10 -0.27 -0.04 7.28 7.05 1wv4B1 PHE 81 HE2 -0.02 -0.02 -0.22 -0.04 7.38 7.09 1wv4B1 PHE 81 HZ -0.14 0.01 -0.17 -0.04 7.32 6.97 1wv4B1 TYR 82 H 0.26 0.19 0.23 -0.55 8.29 8.43 1wv4B1 TYR 82 HA -0.27 0.15 1.26 -0.75 4.56 4.95 1wv4B1 TYR 82 HB2 0.25 -0.07 0.07 -0.04 3.06 3.27 1wv4B1 TYR 82 HB3 -0.08 0.17 0.12 -0.04 2.98 3.14 1wv4B1 TYR 82 HD2 0.02 0.08 -0.16 -0.04 7.15 7.04 1wv4B1 TYR 82 HE2 0.03 -0.02 -0.16 -0.04 6.85 6.67 1wv4B1 THR 83 H -0.69 0.69 0.17 -0.55 8.28 7.89 1wv4B1 THR 83 HA -0.73 0.08 0.55 -0.75 4.39 3.54 1wv4B1 THR 83 HB 0.18 0.09 -0.52 -0.04 4.32 4.03 1wv4B1 THR 83 HG23 0.01 0.01 -0.44 -0.04 1.22 0.76 1wv4B1 ASN 84 H -0.44 0.14 0.17 -0.55 8.53 7.85 1wv4B1 ASN 84 HA -0.28 0.17 0.68 -0.75 4.76 4.57 1wv4B1 ASN 84 HB2 0.50 0.08 0.15 -0.04 2.88 3.57 1wv4B1 ASN 84 HB3 0.05 -0.09 0.17 -0.04 2.79 2.87 1wv4B1 ASN 84 HD21 0.49 0.04 0.00 -0.04 7.03 7.52 1wv4B1 ASN 84 HD22 0.44 0.03 0.03 -0.04 7.74 8.20 1wv4B1 LEU 85 H -0.56 0.60 0.36 -0.55 8.37 8.23 1wv4B1 LEU 85 HA -0.14 0.06 0.38 -0.75 4.35 3.90 1wv4B1 LEU 85 HB2 -0.35 0.10 0.06 -0.04 1.64 1.41 1wv4B1 LEU 85 HB3 -0.16 0.02 0.12 -0.04 1.64 1.59 1wv4B1 LEU 85 HG -0.33 -0.09 -0.05 -0.04 1.64 1.13 1wv4B1 LEU 85 HD13 -0.14 0.01 -0.11 -0.04 0.93 0.65 1wv4B1 LEU 85 HD23 -0.36 -0.00 -0.09 -0.04 0.89 0.39 1wv4B1 GLY 86 H -0.32 0.04 -0.49 -0.55 8.43 7.11 1wv4B1 GLY 86 HA2 0.50 0.26 0.88 -0.51 4.01 5.14 1wv4B1 GLY 86 HA3 0.38 0.02 0.29 -0.51 4.01 4.19 1wv4B1 SER 87 H 0.07 0.25 -0.14 -0.55 8.46 8.09 1wv4B1 SER 87 HA 0.01 0.21 0.66 -0.75 4.49 4.61 1wv4B1 SER 87 HB2 0.03 0.00 0.16 -0.04 3.95 4.10 1wv4B1 SER 87 HB3 0.05 0.03 0.11 -0.04 3.93 4.07 1wv4B1 ARG 88 H -0.05 0.19 0.13 -0.55 8.46 8.17 1wv4B1 ARG 88 HA -0.15 0.11 0.30 -0.75 4.34 3.84 1wv4B1 ARG 88 HB2 -0.09 -0.01 0.12 -0.04 1.90 1.87 1wv4B1 ARG 88 HB3 -0.22 0.05 -0.07 -0.04 1.80 1.53 1wv4B1 ARG 88 HG2 -0.18 0.02 0.04 -0.04 1.67 1.51 1wv4B1 ARG 88 HG3 -0.11 0.01 0.06 -0.04 1.67 1.60 1wv4B1 ARG 88 HD2 -0.48 -0.00 -0.02 -0.04 3.22 2.68 1wv4B1 ARG 88 HD3 -0.15 0.02 0.01 -0.04 3.22 3.05 1wv4B1 LYS 89 H -0.02 0.05 -0.33 -0.55 8.42 7.56 1wv4B1 LYS 89 HA -0.08 0.12 0.34 -0.75 4.32 3.94 1wv4B1 LYS 89 HB2 -0.07 0.10 -0.08 -0.04 1.87 1.78 1wv4B1 LYS 89 HB3 -0.04 0.01 -0.02 -0.04 1.79 1.70 1wv4B1 LYS 89 HG2 0.02 -0.13 -0.01 -0.04 1.46 1.29 1wv4B1 LYS 89 HG3 -0.01 0.08 -0.20 -0.04 1.46 1.29 1wv4B1 LYS 89 HD2 0.19 -0.00 -0.11 -0.04 1.69 1.72 1wv4B1 LYS 89 HD3 0.07 0.07 -0.14 -0.04 1.68 1.64 1wv4B1 LYS 89 HE2 -0.02 0.09 -0.07 -0.04 2.99 2.95 1wv4B1 LYS 89 HE3 -0.02 0.00 -0.07 -0.04 2.99 2.86 1wv4B1 ALA 90 H 0.03 0.07 -0.17 -0.55 8.40 7.78 1wv4B1 ALA 90 HA -0.13 0.06 0.28 -0.75 4.34 3.79 1wv4B1 ALA 90 HB3 0.11 0.04 -0.04 -0.04 1.41 1.48 1wv4B1 HIS 91 H 0.26 0.44 -0.38 -0.55 8.41 8.18 1wv4B1 HIS 91 HA -0.02 0.05 0.29 -0.75 4.63 4.20 1wv4B1 HIS 91 HB2 -0.06 0.02 -0.01 -0.04 3.26 3.18 1wv4B1 HIS 91 HB3 -0.04 -0.04 -0.04 -0.04 3.20 3.04 1wv4B1 HIS 91 HD2 -0.01 0.24 -0.33 -0.04 6.97 6.83 1wv4B1 HIS 91 HE1 0.06 -0.03 -0.01 -0.04 7.75 7.73 1wv4B1 GLN 92 H -0.01 0.50 -0.19 -0.55 8.47 8.22 1wv4B1 GLN 92 HA -0.05 -0.05 0.47 -0.75 4.36 3.99 1wv4B1 GLN 92 HB2 -0.10 0.08 0.17 -0.04 2.15 2.26 1wv4B1 GLN 92 HB3 -0.07 0.07 -0.05 -0.04 2.02 1.93 1wv4B1 GLN 92 HG2 -0.13 -0.15 0.00 -0.04 2.40 2.08 1wv4B1 GLN 92 HG3 -0.14 0.02 0.05 -0.04 2.39 2.28 1wv4B1 GLN 92 HE21 -1.75 -0.01 -0.13 -0.04 6.97 5.04 1wv4B1 GLN 92 HE22 -0.60 -0.08 -0.06 -0.04 7.69 6.91 1wv4B1 ILE 93 H -0.13 0.74 -0.05 -0.55 8.25 8.26 1wv4B1 ILE 93 HA -0.12 0.39 0.45 -0.75 4.18 4.13 1wv4B1 ILE 93 HB -0.41 0.00 0.10 -0.04 1.89 1.54 1wv4B1 ILE 93 HG12 -0.23 0.07 0.03 -0.04 1.49 1.33 1wv4B1 ILE 93 HG13 -0.23 -0.03 -0.00 -0.04 1.21 0.90 1wv4B1 ILE 93 HG23 -0.33 -0.03 -0.19 -0.04 0.93 0.34 1wv4B1 ILE 93 HD13 -0.66 -0.05 -0.15 -0.04 0.88 -0.01 1wv4B1 GLU 94 H -0.06 0.50 -0.28 -0.55 8.60 8.22 1wv4B1 GLU 94 HA -0.01 -0.01 0.35 -0.75 4.29 3.86 1wv4B1 GLU 94 HB2 -0.05 0.12 0.05 -0.04 2.09 2.18 1wv4B1 GLU 94 HB3 -0.03 -0.10 0.07 -0.04 1.99 1.89 1wv4B1 GLU 94 HG2 0.02 -0.10 0.02 -0.04 2.34 2.23 1wv4B1 GLU 94 HG3 -0.02 0.46 0.08 -0.04 2.34 2.83 1wv4B1 ASN 95 H -0.04 0.37 -0.41 -0.55 8.53 7.90 1wv4B1 ASN 95 HA -0.02 0.07 0.81 -0.75 4.76 4.86 1wv4B1 ASN 95 HB2 -0.03 -0.09 0.10 -0.04 2.88 2.82 1wv4B1 ASN 95 HB3 -0.03 0.06 0.12 -0.04 2.79 2.90 1wv4B1 ASN 95 HD21 -0.05 -0.03 -0.20 -0.04 7.03 6.71 1wv4B1 ASN 95 HD22 -0.04 -0.03 -0.03 -0.04 7.74 7.61 1wv4B1 ASN 96 H -0.05 0.67 0.10 -0.55 8.53 8.70 1wv4B1 ASN 96 HA -0.03 0.09 0.81 -0.75 4.76 4.88 1wv4B1 ASN 96 HB2 -0.03 -0.04 -0.11 -0.04 2.88 2.66 1wv4B1 ASN 96 HB3 -0.04 0.03 0.18 -0.04 2.79 2.93 1wv4B1 ASN 96 HD21 -0.01 -0.06 -0.02 -0.04 7.03 6.89 1wv4B1 ASN 96 HD22 -0.02 0.04 -0.09 -0.04 7.74 7.63 1wv4B1 PRO 97 HA -0.06 0.29 0.86 -0.51 4.44 5.01 1wv4B1 PRO 97 HB2 -0.01 -0.19 0.04 -0.04 2.28 2.08 1wv4B1 PRO 97 HB3 -0.02 0.13 0.04 -0.04 2.02 2.13 1wv4B1 PRO 97 HG2 -0.01 -0.05 0.02 -0.04 2.03 1.95 1wv4B1 PRO 97 HG3 -0.01 0.02 0.02 -0.04 2.03 2.01 1wv4B1 PRO 97 HD2 -0.02 0.05 0.19 -0.04 3.68 3.86 1wv4B1 PRO 97 HD3 -0.02 0.22 -0.05 -0.04 3.65 3.76 1wv4B1 ARG 98 H -0.03 0.09 -0.16 -0.55 8.46 7.80 1wv4B1 ARG 98 HA -0.02 0.03 0.52 -0.75 4.34 4.12 1wv4B1 ARG 98 HB2 -0.02 0.01 0.09 -0.04 1.90 1.94 1wv4B1 ARG 98 HB3 -0.02 0.03 -0.00 -0.04 1.80 1.77 1wv4B1 ARG 98 HG2 -0.01 -0.02 -0.00 -0.04 1.67 1.59 1wv4B1 ARG 98 HG3 -0.02 -0.02 0.07 -0.04 1.67 1.66 1wv4B1 ARG 98 HD2 -0.01 0.02 -0.00 -0.04 3.22 3.19 1wv4B1 ARG 98 HD3 -0.01 -0.00 -0.02 -0.04 3.22 3.15 1wv4B1 VAL 99 H -0.02 0.47 0.48 -0.55 8.24 8.62 1wv4B1 VAL 99 HA -0.04 0.24 0.86 -0.75 4.13 4.44 1wv4B1 VAL 99 HB -0.06 0.10 0.27 -0.04 2.12 2.39 1wv4B1 VAL 99 HG13 -0.07 0.04 -0.20 -0.04 0.97 0.70 1wv4B1 VAL 99 HG23 -0.01 -0.02 -0.15 -0.04 0.95 0.73 1wv4B1 SER 100 H -0.07 0.38 0.38 -0.55 8.46 8.61 1wv4B1 SER 100 HA -0.05 0.24 0.98 -0.75 4.49 4.90 1wv4B1 SER 100 HB2 -0.04 0.02 0.02 -0.04 3.95 3.91 1wv4B1 SER 100 HB3 -0.06 -0.05 0.01 -0.04 3.93 3.80 1wv4B1 LEU 101 H -0.08 0.62 0.44 -0.55 8.37 8.80 1wv4B1 LEU 101 HA -0.21 0.34 1.11 -0.75 4.35 4.83 1wv4B1 LEU 101 HB2 -0.09 -0.06 0.10 -0.04 1.64 1.55 1wv4B1 LEU 101 HB3 -0.29 0.00 -0.06 -0.04 1.64 1.24 1wv4B1 LEU 101 HG -0.07 -0.04 -0.33 -0.04 1.64 1.16 1wv4B1 LEU 101 HD13 0.00 -0.00 -0.12 -0.04 0.93 0.77 1wv4B1 LEU 101 HD23 -0.20 0.03 -0.13 -0.04 0.89 0.56 1wv4B1 LEU 102 H -0.35 0.36 0.26 -0.55 8.37 8.09 1wv4B1 LEU 102 HA -0.17 0.43 1.29 -0.75 4.35 5.15 1wv4B1 LEU 102 HB2 -0.15 -0.01 -0.19 -0.04 1.64 1.25 1wv4B1 LEU 102 HB3 -0.19 -0.03 0.10 -0.04 1.64 1.47 1wv4B1 LEU 102 HG -0.14 0.05 -0.11 -0.04 1.64 1.40 1wv4B1 LEU 102 HD13 -0.14 -0.01 -0.12 -0.04 0.93 0.61 1wv4B1 LEU 102 HD23 -0.17 -0.03 -0.52 -0.04 0.89 0.13 1wv4B1 PHE 103 H -0.08 0.59 0.36 -0.55 8.34 8.66 1wv4B1 PHE 103 HA -0.44 0.29 0.79 -0.75 4.62 4.50 1wv4B1 PHE 103 HB2 -0.97 -0.15 0.28 -0.04 3.15 2.28 1wv4B1 PHE 103 HB3 -2.14 0.09 0.04 -0.04 3.06 1.01 1wv4B1 PHE 103 HD2 -0.20 0.15 -0.03 -0.04 7.28 7.16 1wv4B1 PHE 103 HE2 -0.02 0.00 -0.13 -0.04 7.38 7.20 1wv4B1 PHE 103 HZ -0.05 -0.04 -0.10 -0.04 7.32 7.09 1wv4B1 PRO 104 HA -0.12 0.14 0.73 -0.51 4.44 4.68 1wv4B1 PRO 104 HB2 0.06 -0.05 0.19 -0.04 2.28 2.44 1wv4B1 PRO 104 HB3 -0.07 0.01 0.04 -0.04 2.02 1.96 1wv4B1 PRO 104 HG2 -0.05 0.04 0.14 -0.04 2.03 2.12 1wv4B1 PRO 104 HG3 -0.07 -0.02 0.08 -0.04 2.03 1.97 1wv4B1 PRO 104 HD2 -0.22 0.34 0.23 -0.04 3.68 3.99 1wv4B1 PRO 104 HD3 -0.28 0.26 0.41 -0.04 3.65 4.00 1wv4B1 TRP 105 H -0.06 0.40 -0.01 -0.55 7.97 7.74 1wv4B1 TRP 105 HA -0.14 0.16 0.59 -0.75 4.62 4.47 1wv4B1 TRP 105 HB2 -0.01 0.00 -0.13 -0.04 3.23 3.05 1wv4B1 TRP 105 HB3 -0.10 -0.08 0.13 -0.04 3.23 3.14 1wv4B1 TRP 105 HD1 -0.02 0.02 -0.23 -0.04 7.22 6.96 1wv4B1 TRP 105 HE1 0.13 0.40 0.05 -0.04 10.20 10.73 1wv4B1 TRP 105 HE3 0.18 -0.06 -0.14 -0.04 7.59 7.53 1wv4B1 TRP 105 HZ2 -0.06 0.12 -0.02 -0.04 7.44 7.44 1wv4B1 TRP 105 HZ3 0.32 -0.02 -0.09 -0.04 7.13 7.30 1wv4B1 TRP 105 HH2 -0.95 -0.03 -0.10 -0.04 7.19 6.07 1wv4B1 HIS 106 H -0.20 0.27 -0.52 -0.55 8.41 7.42 1wv4B1 HIS 106 HA 0.11 0.02 0.33 -0.75 4.63 4.34 1wv4B1 HIS 106 HB2 0.03 -0.01 0.06 -0.04 3.26 3.30 1wv4B1 HIS 106 HB3 -0.03 0.04 0.02 -0.04 3.20 3.19 1wv4B1 HIS 106 HD2 -0.04 -0.02 -0.01 -0.04 6.97 6.86 1wv4B1 HIS 106 HE1 0.02 -0.01 -0.03 -0.04 7.75 7.68 1wv4B1 THR 107 H -0.17 0.13 -0.45 -0.55 8.28 7.24 1wv4B1 THR 107 HA 0.08 0.08 0.47 -0.75 4.39 4.27 1wv4B1 THR 107 HB -0.06 0.03 0.00 -0.04 4.32 4.25 1wv4B1 THR 107 HG23 -0.03 -0.00 0.01 -0.04 1.22 1.14 1wv4B1 LEU 108 H -0.00 0.41 -0.12 -0.55 8.37 8.11 1wv4B1 LEU 108 HA -0.08 0.17 0.74 -0.75 4.35 4.42 1wv4B1 LEU 108 HB2 -0.17 0.02 0.06 -0.04 1.64 1.51 1wv4B1 LEU 108 HB3 -0.20 0.00 0.13 -0.04 1.64 1.52 1wv4B1 LEU 108 HG -0.18 -0.03 -0.03 -0.04 1.64 1.36 1wv4B1 LEU 108 HD13 -0.32 0.03 -0.12 -0.04 0.93 0.48 1wv4B1 LEU 108 HD23 -0.17 -0.00 -0.22 -0.04 0.89 0.46 1wv4B1 GLU 109 H 0.10 0.36 -0.53 -0.55 8.60 7.98 1wv4B1 GLU 109 HA 0.30 0.07 0.27 -0.75 4.29 4.17 1wv4B1 GLU 109 HB2 0.03 0.24 0.13 -0.04 2.09 2.45 1wv4B1 GLU 109 HB3 0.16 -0.14 0.25 -0.04 1.99 2.23 1wv4B1 GLU 109 HG2 0.05 0.07 -0.25 -0.04 2.34 2.17 1wv4B1 GLU 109 HG3 0.02 -0.02 -0.06 -0.04 2.34 2.24 1wv4B1 ARG 110 H 0.17 0.32 -0.36 -0.55 8.46 8.03 1wv4B1 ARG 110 HA 0.42 0.36 1.13 -0.75 4.34 5.49 1wv4B1 ARG 110 HB2 0.11 -0.04 -0.09 -0.04 1.90 1.84 1wv4B1 ARG 110 HB3 0.00 -0.04 0.04 -0.04 1.80 1.76 1wv4B1 ARG 110 HG2 -0.89 0.01 0.02 -0.04 1.67 0.77 1wv4B1 ARG 110 HG3 -0.31 0.20 -0.32 -0.04 1.67 1.20 1wv4B1 ARG 110 HD2 -0.60 -0.02 -0.04 -0.04 3.22 2.51 1wv4B1 ARG 110 HD3 -1.69 -0.03 -0.03 -0.04 3.22 1.43 1wv4B1 GLN 111 H 0.57 0.50 0.28 -0.55 8.47 9.28 1wv4B1 GLN 111 HA 0.05 0.20 0.82 -0.75 4.36 4.67 1wv4B1 GLN 111 HB2 -0.11 0.09 -0.50 -0.04 2.15 1.59 1wv4B1 GLN 111 HB3 0.16 -0.03 -0.12 -0.04 2.02 1.99 1wv4B1 GLN 111 HG2 -0.06 -0.03 -0.26 -0.04 2.40 2.02 1wv4B1 GLN 111 HG3 -0.15 0.01 -0.07 -0.04 2.39 2.14 1wv4B1 GLN 111 HE21 -0.32 0.01 -0.14 -0.04 6.97 6.49 1wv4B1 GLN 111 HE22 -0.13 -0.04 -0.20 -0.04 7.69 7.29 1wv4B1 VAL 112 H -0.06 0.35 0.32 -0.55 8.24 8.30 1wv4B1 VAL 112 HA -0.03 0.33 1.03 -0.75 4.13 4.70 1wv4B1 VAL 112 HB -0.13 -0.07 0.17 -0.04 2.12 2.05 1wv4B1 VAL 112 HG13 -0.27 0.02 -0.10 -0.04 0.97 0.57 1wv4B1 VAL 112 HG23 0.40 -0.00 -0.09 -0.04 0.95 1.22 1wv4B1 MET 113 H -0.13 0.41 0.32 -0.55 8.47 8.52 1wv4B1 MET 113 HA -0.07 0.42 1.08 -0.75 4.52 5.19 1wv4B1 MET 113 HB2 -0.04 -0.02 -0.12 -0.04 2.15 1.93 1wv4B1 MET 113 HB3 -0.03 -0.10 0.10 -0.04 2.03 1.96 1wv4B1 MET 113 HG2 -0.07 0.08 -0.02 -0.04 2.63 2.57 1wv4B1 MET 113 HG3 -0.04 -0.01 -0.09 -0.04 2.56 2.38 1wv4B1 MET 113 HE3 0.02 -0.01 -0.14 -0.04 2.10 1.92 1wv4B1 VAL 114 H -0.06 0.56 0.39 -0.55 8.24 8.58 1wv4B1 VAL 114 HA -0.05 0.27 1.10 -0.75 4.13 4.69 1wv4B1 VAL 114 HB -0.04 -0.09 0.14 -0.04 2.12 2.09 1wv4B1 VAL 114 HG13 -0.03 0.03 -0.08 -0.04 0.97 0.85 1wv4B1 VAL 114 HG23 -0.11 -0.01 -0.17 -0.04 0.95 0.63 1wv4B1 ILE 115 H 0.02 0.38 0.25 -0.55 8.25 8.35 1wv4B1 ILE 115 HA -0.01 0.22 1.00 -0.75 4.18 4.64 1wv4B1 ILE 115 HB 0.03 -0.08 0.12 -0.04 1.89 1.92 1wv4B1 ILE 115 HG12 0.01 -0.06 -0.12 -0.04 1.49 1.28 1wv4B1 ILE 115 HG13 0.01 0.01 -0.03 -0.04 1.21 1.16 1wv4B1 ILE 115 HG23 0.01 0.02 -0.10 -0.04 0.93 0.82 1wv4B1 ILE 115 HD13 -0.02 0.04 -0.03 -0.04 0.88 0.82 1wv4B1 GLY 116 H -0.00 0.54 0.33 -0.55 8.43 8.75 1wv4B1 GLY 116 HA2 0.02 -0.06 0.42 -0.51 4.01 3.87 1wv4B1 GLY 116 HA3 0.02 0.45 0.39 -0.51 4.01 4.36 1wv4B1 LYS 117 H 0.01 0.07 0.18 -0.55 8.42 8.13 1wv4B1 LYS 117 HA -0.01 0.28 0.70 -0.75 4.32 4.54 1wv4B1 LYS 117 HB2 0.00 -0.08 0.16 -0.04 1.87 1.92 1wv4B1 LYS 117 HB3 0.00 0.05 -0.10 -0.04 1.79 1.70 1wv4B1 LYS 117 HG2 -0.00 0.01 -0.03 -0.04 1.46 1.40 1wv4B1 LYS 117 HG3 -0.01 0.03 -0.14 -0.04 1.46 1.31 1wv4B1 LYS 117 HD2 -0.00 -0.07 -0.20 -0.04 1.69 1.38 1wv4B1 LYS 117 HD3 -0.00 -0.02 -0.02 -0.04 1.68 1.60 1wv4B1 LYS 117 HE2 -0.01 0.02 -0.06 -0.04 2.99 2.90 1wv4B1 LYS 117 HE3 -0.00 -0.00 -0.05 -0.04 2.99 2.89 1wv4B1 ALA 118 H -0.02 0.77 0.31 -0.55 8.40 8.92 1wv4B1 ALA 118 HA 0.04 0.21 0.80 -0.75 4.34 4.65 1wv4B1 ALA 118 HB3 -0.09 -0.01 0.05 -0.04 1.41 1.32 1wv4B1 GLU 119 H 0.05 0.47 0.35 -0.55 8.60 8.92 1wv4B1 GLU 119 HA 0.06 0.07 0.60 -0.75 4.29 4.27 1wv4B1 GLU 119 HB2 0.01 -0.02 0.07 -0.04 2.09 2.12 1wv4B1 GLU 119 HB3 0.02 0.06 0.19 -0.04 1.99 2.21 1wv4B1 GLU 119 HG2 -0.02 0.19 -0.37 -0.04 2.34 2.10 1wv4B1 GLU 119 HG3 -0.01 -0.04 -0.01 -0.04 2.34 2.24 1wv4B1 ARG 120 H 0.05 0.12 0.17 -0.55 8.46 8.25 1wv4B1 ARG 120 HA -0.46 0.06 0.62 -0.75 4.34 3.81 1wv4B1 ARG 120 HB2 -0.05 0.02 0.11 -0.04 1.90 1.93 1wv4B1 ARG 120 HB3 -0.04 -0.05 0.18 -0.04 1.80 1.84 1wv4B1 ARG 120 HG2 -0.12 -0.08 -0.03 -0.04 1.67 1.39 1wv4B1 ARG 120 HG3 -0.20 0.29 -0.39 -0.04 1.67 1.33 1wv4B1 ARG 120 HD2 -0.67 0.07 0.10 -0.04 3.22 2.68 1wv4B1 ARG 120 HD3 -0.34 -0.04 0.01 -0.04 3.22 2.81 1wv4B1 LEU 121 H -0.46 0.70 0.43 -0.55 8.37 8.49 1wv4B1 LEU 121 HA -0.12 0.00 0.34 -0.75 4.35 3.82 1wv4B1 LEU 121 HB2 -0.23 0.02 0.01 -0.04 1.64 1.40 1wv4B1 LEU 121 HB3 -0.10 -0.08 -0.04 -0.04 1.64 1.38 1wv4B1 LEU 121 HG -0.28 -0.03 -0.56 -0.04 1.64 0.73 1wv4B1 LEU 121 HD13 -0.19 -0.02 -0.24 -0.04 0.93 0.44 1wv4B1 LEU 121 HD23 -0.09 -0.01 -0.18 -0.04 0.89 0.57 1wv4B1 SER 122 H -0.07 0.04 0.14 -0.55 8.46 8.03 1wv4B1 SER 122 HA -0.06 0.21 0.45 -0.75 4.49 4.34 1wv4B1 SER 122 HB2 -0.04 0.09 0.16 -0.04 3.95 4.12 1wv4B1 SER 122 HB3 -0.03 -0.36 0.06 -0.04 3.93 3.56 1wv4B1 THR 123 H -0.03 0.21 0.14 -0.55 8.28 8.05 1wv4B1 THR 123 HA -0.03 0.17 0.41 -0.75 4.39 4.19 1wv4B1 THR 123 HB -0.00 0.05 0.11 -0.04 4.32 4.44 1wv4B1 THR 123 HG23 -0.02 0.02 0.00 -0.04 1.22 1.18 1wv4B1 LEU 124 H -0.02 -0.14 -0.74 -0.55 8.37 6.92 1wv4B1 LEU 124 HA -0.01 0.24 0.64 -0.75 4.35 4.48 1wv4B1 LEU 124 HB2 -0.01 -0.04 0.01 -0.04 1.64 1.55 1wv4B1 LEU 124 HB3 -0.02 -0.04 0.03 -0.04 1.64 1.57 1wv4B1 LEU 124 HG -0.01 0.06 -0.06 -0.04 1.64 1.59 1wv4B1 LEU 124 HD13 -0.01 0.01 -0.03 -0.04 0.93 0.86 1wv4B1 LEU 124 HD23 -0.01 0.00 -0.06 -0.04 0.89 0.79 1wv4B1 GLU 125 H -0.02 0.02 -0.03 -0.55 8.60 8.03 1wv4B1 GLU 125 HA -0.01 0.15 0.35 -0.75 4.29 4.02 1wv4B1 GLU 125 HB2 -0.01 0.02 -0.06 -0.04 2.09 2.00 1wv4B1 GLU 125 HB3 -0.02 0.06 0.02 -0.04 1.99 2.01 1wv4B1 GLU 125 HG2 -0.02 0.05 -0.01 -0.04 2.34 2.31 1wv4B1 GLU 125 HG3 -0.02 -0.13 0.06 -0.04 2.34 2.20 1wv4B1 VAL 126 H 0.00 0.11 -0.62 -0.55 8.24 7.19 1wv4B1 VAL 126 HA 0.06 0.07 0.34 -0.75 4.13 3.84 1wv4B1 VAL 126 HB 0.01 0.05 -0.21 -0.04 2.12 1.94 1wv4B1 VAL 126 HG13 0.04 0.02 0.04 -0.04 0.97 1.03 1wv4B1 VAL 126 HG23 0.00 0.04 -0.10 -0.04 0.95 0.86 1wv4B1 MET 127 H 0.00 0.32 -0.60 -0.55 8.47 7.64 1wv4B1 MET 127 HA -0.00 0.11 0.46 -0.75 4.52 4.33 1wv4B1 MET 127 HB2 -0.00 0.08 0.09 -0.04 2.15 2.27 1wv4B1 MET 127 HB3 -0.00 -0.00 0.07 -0.04 2.03 2.06 1wv4B1 MET 127 HG2 -0.00 -0.04 0.06 -0.04 2.63 2.60 1wv4B1 MET 127 HG3 -0.00 -0.02 0.07 -0.04 2.56 2.56 1wv4B1 MET 127 HE3 0.01 0.01 -0.01 -0.04 2.10 2.07 1wv4B1 SER 176 HA 0.11 -0.08 0.24 -0.75 4.49 4.01 1wv4B1 SER 176 HB2 0.11 -0.00 -0.02 -0.04 3.95 4.00 1wv4B1 SER 176 HB3 0.09 -0.03 0.01 -0.04 3.93 3.97 1wv4B1 PHE 177 H 0.19 0.13 0.05 -0.55 8.34 8.16 1wv4B1 PHE 177 HA 0.05 -0.01 0.33 -0.75 4.62 4.24 1wv4B1 PHE 177 HB2 0.07 -0.03 -0.12 -0.04 3.15 3.03 1wv4B1 PHE 177 HB3 0.12 0.34 0.13 -0.04 3.06 3.61 1wv4B1 PHE 177 HD2 0.10 0.06 0.02 -0.04 7.28 7.42 1wv4B1 PHE 177 HE2 0.10 0.04 -0.03 -0.04 7.38 7.44 1wv4B1 PHE 177 HZ 0.11 0.03 -0.00 -0.04 7.32 7.43 1wv4B1 TRP 178 H 0.26 0.23 -0.89 -0.55 7.97 7.02 1wv4B1 TRP 178 HA -0.16 -0.03 1.02 -0.75 4.62 4.71 1wv4B1 TRP 178 HB2 -0.00 -0.03 -0.06 -0.04 3.23 3.10 1wv4B1 TRP 178 HB3 0.01 0.13 0.08 -0.04 3.23 3.40 1wv4B1 TRP 178 HD1 -0.05 0.03 -0.06 -0.04 7.22 7.09 1wv4B1 TRP 178 HE1 -0.04 -0.00 -0.09 -0.04 10.20 10.03 1wv4B1 TRP 178 HE3 -0.02 -0.02 -0.02 -0.04 7.59 7.49 1wv4B1 TRP 178 HZ2 0.11 0.03 -0.15 -0.04 7.44 7.39 1wv4B1 TRP 178 HZ3 0.03 -0.04 0.03 -0.04 7.13 7.11 1wv4B1 TRP 178 HH2 0.08 0.03 -0.02 -0.04 7.19 7.23 1wv4B1 GLY 179 H -0.49 0.16 0.09 -0.55 8.43 7.65 1wv4B1 GLY 179 HA2 -0.12 0.26 0.93 -0.51 4.01 4.57 1wv4B1 GLY 179 HA3 -0.27 -0.04 0.35 -0.51 4.01 3.53 1wv4B1 GLY 180 H -0.47 0.31 0.23 -0.55 8.43 7.96 1wv4B1 GLY 180 HA2 -0.53 0.02 0.71 -0.51 4.01 3.70 1wv4B1 GLY 180 HA3 -0.40 0.12 0.38 -0.51 4.01 3.60 1wv4B1 PHE 181 H -0.82 0.52 0.32 -0.55 8.34 7.80 1wv4B1 PHE 181 HA -0.28 0.15 0.97 -0.75 4.62 4.70 1wv4B1 PHE 181 HB2 -0.88 -0.04 -0.06 -0.04 3.15 2.14 1wv4B1 PHE 181 HB3 -0.25 0.08 -0.16 -0.04 3.06 2.69 1wv4B1 PHE 181 HD2 -0.34 0.06 -0.40 -0.04 7.28 6.57 1wv4B1 PHE 181 HE2 -0.14 -0.01 -0.16 -0.04 7.38 7.02 1wv4B1 PHE 181 HZ -0.13 0.00 -0.06 -0.04 7.32 7.09 1wv4B1 ARG 182 H -0.01 0.73 0.23 -0.55 8.46 8.86 1wv4B1 ARG 182 HA -0.03 0.33 0.83 -0.75 4.34 4.71 1wv4B1 ARG 182 HB2 -0.04 -0.06 -0.15 -0.04 1.90 1.62 1wv4B1 ARG 182 HB3 -0.02 0.01 0.04 -0.04 1.80 1.78 1wv4B1 ARG 182 HG2 0.02 0.02 -0.25 -0.04 1.67 1.42 1wv4B1 ARG 182 HG3 0.04 -0.01 -0.36 -0.04 1.67 1.30 1wv4B1 ARG 182 HD2 0.05 -0.06 -0.55 -0.04 3.22 2.63 1wv4B1 ARG 182 HD3 0.06 -0.03 -0.36 -0.04 3.22 2.86 1wv4B1 VAL 183 H 0.07 0.65 0.24 -0.55 8.24 8.65 1wv4B1 VAL 183 HA 0.05 0.25 0.78 -0.75 4.13 4.45 1wv4B1 VAL 183 HB 0.08 -0.10 0.10 -0.04 2.12 2.15 1wv4B1 VAL 183 HG13 0.03 0.06 -0.34 -0.04 0.97 0.68 1wv4B1 VAL 183 HG23 0.15 0.01 -0.22 -0.04 0.95 0.84 1wv4B1 SER 184 H 0.03 0.47 0.25 -0.55 8.46 8.66 1wv4B1 SER 184 HA 0.04 0.28 0.41 -0.75 4.49 4.48 1wv4B1 SER 184 HB2 0.02 -0.01 0.12 -0.04 3.95 4.04 1wv4B1 SER 184 HB3 0.02 0.08 0.21 -0.04 3.93 4.20 1wv4B1 LEU 185 H 0.08 0.19 0.02 -0.55 8.37 8.11 1wv4B1 LEU 185 HA 0.10 0.24 0.83 -0.75 4.35 4.77 1wv4B1 LEU 185 HB2 0.31 0.02 0.19 -0.04 1.64 2.12 1wv4B1 LEU 185 HB3 0.33 0.00 0.01 -0.04 1.64 1.95 1wv4B1 LEU 185 HG 0.10 -0.01 -0.16 -0.04 1.64 1.53 1wv4B1 LEU 185 HD13 0.12 -0.00 -0.08 -0.04 0.93 0.92 1wv4B1 LEU 185 HD23 -0.01 0.04 -0.21 -0.04 0.89 0.66 1wv4B1 GLU 186 H 0.08 0.43 0.25 -0.55 8.60 8.81 1wv4B1 GLU 186 HA 0.03 0.06 0.74 -0.75 4.29 4.37 1wv4B1 GLU 186 HB2 0.05 0.13 0.03 -0.04 2.09 2.26 1wv4B1 GLU 186 HB3 0.04 -0.02 0.05 -0.04 1.99 2.02 1wv4B1 GLU 186 HG2 -0.00 0.01 0.02 -0.04 2.34 2.33 1wv4B1 GLU 186 HG3 0.02 -0.09 -0.02 -0.04 2.34 2.21 1wv4B1 GLN 187 H 0.12 0.48 0.33 -0.55 8.47 8.86 1wv4B1 GLN 187 HA 0.28 0.46 0.92 -0.75 4.36 5.27 1wv4B1 GLN 187 HB2 0.07 -0.13 0.06 -0.04 2.15 2.12 1wv4B1 GLN 187 HB3 0.10 -0.02 0.01 -0.04 2.02 2.08 1wv4B1 GLN 187 HG2 0.13 0.05 0.14 -0.04 2.40 2.69 1wv4B1 GLN 187 HG3 0.09 -0.04 -0.26 -0.04 2.39 2.14 1wv4B1 GLN 187 HE21 0.04 -0.01 -0.05 -0.04 6.97 6.91 1wv4B1 GLN 187 HE22 0.05 0.00 -0.06 -0.04 7.69 7.64 1wv4B1 ILE 188 H 0.17 0.42 0.32 -0.55 8.25 8.60 1wv4B1 ILE 188 HA -0.09 0.31 1.00 -0.75 4.18 4.64 1wv4B1 ILE 188 HB -0.16 -0.07 0.11 -0.04 1.89 1.72 1wv4B1 ILE 188 HG12 -0.07 0.17 0.02 -0.04 1.49 1.57 1wv4B1 ILE 188 HG13 0.03 -0.04 -0.52 -0.04 1.21 0.65 1wv4B1 ILE 188 HG23 -0.50 0.00 -0.10 -0.04 0.93 0.30 1wv4B1 ILE 188 HD13 -0.27 -0.03 -0.11 -0.04 0.88 0.43 1wv4B1 GLU 189 H -0.14 0.57 0.45 -0.55 8.60 8.93 1wv4B1 GLU 189 HA 0.17 0.30 1.21 -0.75 4.29 5.21 1wv4B1 GLU 189 HB2 0.09 -0.02 -0.03 -0.04 2.09 2.08 1wv4B1 GLU 189 HB3 0.03 -0.07 0.09 -0.04 1.99 2.00 1wv4B1 GLU 189 HG2 0.20 -0.02 -0.41 -0.04 2.34 2.07 1wv4B1 GLU 189 HG3 0.21 0.02 -0.10 -0.04 2.34 2.42 1wv4B1 PHE 190 H 0.40 0.51 0.37 -0.55 8.34 9.07 1wv4B1 PHE 190 HA 0.24 0.23 1.10 -0.75 4.62 5.44 1wv4B1 PHE 190 HB2 0.12 -0.05 0.16 -0.04 3.15 3.33 1wv4B1 PHE 190 HB3 -0.16 0.04 0.01 -0.04 3.06 2.90 1wv4B1 PHE 190 HD2 -0.74 0.08 -0.09 -0.04 7.28 6.49 1wv4B1 PHE 190 HE2 -0.51 -0.02 -0.23 -0.04 7.38 6.59 1wv4B1 PHE 190 HZ -0.38 -0.03 -0.14 -0.04 7.32 6.73 1wv4B1 TRP 191 H 0.77 0.57 0.35 -0.55 7.97 9.12 1wv4B1 TRP 191 HA 0.24 0.31 1.00 -0.75 4.62 5.43 1wv4B1 TRP 191 HB2 0.13 -0.08 -0.14 -0.04 3.23 3.10 1wv4B1 TRP 191 HB3 0.18 -0.05 0.06 -0.04 3.23 3.38 1wv4B1 TRP 191 HD1 0.02 -0.03 -0.12 -0.04 7.22 7.05 1wv4B1 TRP 191 HE1 -0.22 0.17 -0.09 -0.04 10.20 10.02 1wv4B1 TRP 191 HE3 0.13 -0.08 -0.44 -0.04 7.59 7.15 1wv4B1 TRP 191 HZ2 -1.06 -0.00 -0.11 -0.04 7.44 6.23 1wv4B1 TRP 191 HZ3 0.11 -0.01 -0.32 -0.04 7.13 6.87 1wv4B1 TRP 191 HH2 0.18 -0.05 -0.14 -0.04 7.19 7.14 1wv4B1 GLN 192 H -0.33 0.54 0.36 -0.55 8.47 8.48 1wv4B1 GLN 192 HA 0.13 0.20 1.09 -0.75 4.36 5.02 1wv4B1 GLN 192 HB2 0.48 0.01 -0.14 -0.04 2.15 2.47 1wv4B1 GLN 192 HB3 0.20 0.01 0.04 -0.04 2.02 2.22 1wv4B1 GLN 192 HG2 0.14 -0.12 -0.22 -0.04 2.40 2.16 1wv4B1 GLN 192 HG3 -0.03 0.07 -0.53 -0.04 2.39 1.86 1wv4B1 GLN 192 HE21 -0.25 0.05 -0.09 -0.04 6.97 6.64 1wv4B1 GLN 192 HE22 0.26 -0.02 -0.13 -0.04 7.69 7.76 1wv4B1 GLY 193 H -0.05 0.24 0.19 -0.55 8.43 8.28 1wv4B1 GLY 193 HA2 -0.02 0.04 0.40 -0.51 4.01 3.92 1wv4B1 GLY 193 HA3 -0.06 0.04 0.36 -0.51 4.01 3.84 1wv4B1 GLY 194 H -0.06 0.15 -0.00 -0.55 8.43 7.98 1wv4B1 GLY 194 HA2 -0.16 0.08 0.49 -0.51 4.01 3.92 1wv4B1 GLY 194 HA3 -0.29 -0.00 0.18 -0.51 4.01 3.38 1wv4B1 GLU 195 H -0.05 0.17 0.06 -0.55 8.60 8.23 1wv4B1 GLU 195 HA 0.01 0.12 0.62 -0.75 4.29 4.28 1wv4B1 GLU 195 HB2 -0.01 -0.03 0.16 -0.04 2.09 2.17 1wv4B1 GLU 195 HB3 0.05 0.03 0.00 -0.04 1.99 2.03 1wv4B1 GLU 195 HG2 -0.00 0.02 -0.01 -0.04 2.34 2.31 1wv4B1 GLU 195 HG3 -0.01 0.00 -0.01 -0.04 2.34 2.29 1wv4B1 HIS 196 H 0.03 0.29 0.13 -0.55 8.41 8.31 1wv4B1 HIS 196 HA -0.04 0.03 0.31 -0.75 4.63 4.18 1wv4B1 HIS 196 HB2 -0.08 0.63 0.55 -0.04 3.26 4.32 1wv4B1 HIS 196 HB3 -0.07 -0.44 0.10 -0.04 3.20 2.75 1wv4B1 HIS 196 HD2 -0.03 -0.03 -0.15 -0.04 6.97 6.72 1wv4B1 HIS 196 HE1 -0.02 -0.01 0.00 -0.04 7.75 7.68 1wv4B1 ARG 197 H 0.09 0.15 -0.27 -0.55 8.46 7.87 1wv4B1 ARG 197 HA -0.31 0.14 0.14 -0.75 4.34 3.56 1wv4B1 ARG 197 HB2 -0.01 -0.04 0.17 -0.04 1.90 1.98 1wv4B1 ARG 197 HB3 -0.09 0.01 0.13 -0.04 1.80 1.81 1wv4B1 ARG 197 HG2 0.03 0.01 0.15 -0.04 1.67 1.82 1wv4B1 ARG 197 HG3 -0.01 0.33 -0.33 -0.04 1.67 1.62 1wv4B1 ARG 197 HD2 0.02 -0.02 -0.07 -0.04 3.22 3.11 1wv4B1 ARG 197 HD3 0.05 -0.04 -0.01 -0.04 3.22 3.18 1wv4B1 LEU 198 H -0.23 0.19 -0.19 -0.55 8.37 7.59 1wv4B1 LEU 198 HA -0.10 0.17 0.76 -0.75 4.35 4.43 1wv4B1 LEU 198 HB2 -0.12 0.04 0.13 -0.04 1.64 1.65 1wv4B1 LEU 198 HB3 -0.14 -0.03 0.05 -0.04 1.64 1.47 1wv4B1 LEU 198 HG -0.17 0.07 0.24 -0.04 1.64 1.74 1wv4B1 LEU 198 HD13 -0.12 -0.01 0.06 -0.04 0.93 0.82 1wv4B1 LEU 198 HD23 -0.15 -0.11 -0.02 -0.04 0.89 0.57 1wv4B1 HIS 199 H -0.22 0.13 -0.22 -0.55 8.41 7.56 1wv4B1 HIS 199 HA -0.50 0.34 0.55 -0.75 4.63 4.27 1wv4B1 HIS 199 HB2 -0.14 -0.07 0.07 -0.04 3.26 3.08 1wv4B1 HIS 199 HB3 -1.18 0.05 -0.03 -0.04 3.20 1.99 1wv4B1 HIS 199 HD2 0.10 -0.05 -0.03 -0.04 6.97 6.95 1wv4B1 HIS 199 HE1 0.35 -0.01 -0.06 -0.04 7.75 7.99 1wv4B1 ASP 200 H -0.30 0.53 0.45 -0.55 8.40 8.53 1wv4B1 ASP 200 HA -0.19 0.06 0.72 -0.75 4.63 4.47 1wv4B1 ASP 200 HB2 -0.01 -0.04 0.27 -0.04 2.71 2.89 1wv4B1 ASP 200 HB3 0.10 0.05 0.06 -0.04 2.70 2.88 1wv4B1 ARG 201 H -0.38 0.24 0.24 -0.55 8.46 8.01 1wv4B1 ARG 201 HA 0.09 0.45 1.15 -0.75 4.34 5.28 1wv4B1 ARG 201 HB2 -0.06 -0.04 -0.06 -0.04 1.90 1.70 1wv4B1 ARG 201 HB3 0.11 -0.05 -0.07 -0.04 1.80 1.74 1wv4B1 ARG 201 HG2 0.26 -0.01 -0.18 -0.04 1.67 1.71 1wv4B1 ARG 201 HG3 -0.12 0.00 -0.77 -0.04 1.67 0.75 1wv4B1 ARG 201 HD2 0.28 -0.02 -0.10 -0.04 3.22 3.33 1wv4B1 ARG 201 HD3 0.10 0.21 -0.39 -0.04 3.22 3.10 1wv4B1 PHE 202 H 0.33 0.55 0.36 -0.55 8.34 9.02 1wv4B1 PHE 202 HA 0.07 0.28 1.15 -0.75 4.62 5.36 1wv4B1 PHE 202 HB2 0.12 -0.03 0.08 -0.04 3.15 3.28 1wv4B1 PHE 202 HB3 0.02 0.02 -0.00 -0.04 3.06 3.05 1wv4B1 PHE 202 HD2 0.02 0.03 -0.21 -0.04 7.28 7.08 1wv4B1 PHE 202 HE2 -0.00 0.19 -0.08 -0.04 7.38 7.44 1wv4B1 PHE 202 HZ -0.01 -0.18 0.04 -0.04 7.32 7.13 1wv4B1 LEU 203 H 0.17 0.64 0.34 -0.55 8.37 8.98 1wv4B1 LEU 203 HA 0.25 0.23 1.14 -0.75 4.35 5.22 1wv4B1 LEU 203 HB2 0.12 -0.04 -0.04 -0.04 1.64 1.64 1wv4B1 LEU 203 HB3 0.11 -0.01 0.07 -0.04 1.64 1.77 1wv4B1 LEU 203 HG 0.16 0.04 -0.41 -0.04 1.64 1.38 1wv4B1 LEU 203 HD13 0.11 0.02 -0.14 -0.04 0.93 0.88 1wv4B1 LEU 203 HD23 0.08 -0.01 -0.11 -0.04 0.89 0.82 1wv4B1 TYR 204 H 0.35 0.64 0.38 -0.55 8.29 9.11 1wv4B1 TYR 204 HA 0.17 0.24 0.92 -0.75 4.56 5.14 1wv4B1 TYR 204 HB2 -0.13 -0.02 0.20 -0.04 3.06 3.07 1wv4B1 TYR 204 HB3 -0.11 -0.01 -0.06 -0.04 2.98 2.76 1wv4B1 TYR 204 HD2 -0.21 0.03 -0.13 -0.04 7.15 6.80 1wv4B1 TYR 204 HE2 -0.27 0.09 -0.16 -0.04 6.85 6.47 1wv4B1 GLN 205 H 0.28 0.82 0.28 -0.55 8.47 9.30 1wv4B1 GLN 205 HA 0.24 0.17 0.92 -0.75 4.36 4.94 1wv4B1 GLN 205 HB2 0.13 0.10 0.14 -0.04 2.15 2.48 1wv4B1 GLN 205 HB3 0.10 -0.05 0.01 -0.04 2.02 2.04 1wv4B1 GLN 205 HG2 0.07 0.03 0.01 -0.04 2.40 2.46 1wv4B1 GLN 205 HG3 0.11 -0.02 0.02 -0.04 2.39 2.46 1wv4B1 GLN 205 HE21 0.05 -0.02 -0.05 -0.04 6.97 6.91 1wv4B1 GLN 205 HE22 0.05 0.00 -0.04 -0.04 7.69 7.66 1wv4B1 ARG 206 H 0.13 0.71 0.34 -0.55 8.46 9.09 1wv4B1 ARG 206 HA -0.48 0.10 0.65 -0.75 4.34 3.86 1wv4B1 ARG 206 HB2 -0.52 0.14 0.20 -0.04 1.90 1.67 1wv4B1 ARG 206 HB3 -0.15 -0.04 0.33 -0.04 1.80 1.89 1wv4B1 ARG 206 HG2 -0.33 -0.02 0.02 -0.04 1.67 1.30 1wv4B1 ARG 206 HG3 -0.30 -0.13 -0.17 -0.04 1.67 1.03 1wv4B1 ARG 206 HD2 -0.97 0.21 -0.01 -0.04 3.22 2.41 1wv4B1 ARG 206 HD3 -1.61 0.04 -0.03 -0.04 3.22 1.58 1wv4B1 GLU 207 H -0.19 1.01 0.47 -0.55 8.60 9.34 1wv4B1 GLU 207 HA -0.07 0.08 0.91 -0.75 4.29 4.45 1wv4B1 GLU 207 HB2 -0.01 0.01 0.03 -0.04 2.09 2.08 1wv4B1 GLU 207 HB3 -0.02 -0.03 -0.05 -0.04 1.99 1.86 1wv4B1 GLU 207 HG2 -0.01 0.07 -0.04 -0.04 2.34 2.32 1wv4B1 GLU 207 HG3 0.02 0.03 -0.50 -0.04 2.34 1.86 1wv4B1 ASN 208 H -0.06 0.16 0.13 -0.55 8.53 8.21 1wv4B1 ASN 208 HA -0.06 0.02 0.37 -0.75 4.76 4.34 1wv4B1 ASN 208 HB2 -0.04 0.15 -0.08 -0.04 2.88 2.87 1wv4B1 ASN 208 HB3 -0.03 0.02 0.14 -0.04 2.79 2.87 1wv4B1 ASN 208 HD21 -0.01 0.02 -0.06 -0.04 7.03 6.94 1wv4B1 ASN 208 HD22 -0.02 0.07 -0.22 -0.04 7.74 7.53 1wv4B1 ASP 209 H -0.13 0.06 -0.10 -0.55 8.40 7.69 1wv4B1 ASP 209 HA -0.15 -0.02 0.28 -0.75 4.63 3.99 1wv4B1 ASP 209 HB2 -0.06 0.16 0.17 -0.04 2.71 2.95 1wv4B1 ASP 209 HB3 -0.06 -0.04 0.15 -0.04 2.70 2.70 1wv4B1 ALA 210 H -0.20 0.22 -0.46 -0.55 8.40 7.41 1wv4B1 ALA 210 HA -0.13 0.07 0.67 -0.75 4.34 4.19 1wv4B1 ALA 210 HB3 -0.02 0.05 -0.02 -0.04 1.41 1.38 1wv4B1 TRP 211 H 0.19 0.17 0.15 -0.55 7.97 7.93 1wv4B1 TRP 211 HA 0.07 0.21 1.03 -0.75 4.62 5.18 1wv4B1 TRP 211 HB2 0.12 0.04 0.19 -0.04 3.23 3.54 1wv4B1 TRP 211 HB3 0.21 0.01 -0.08 -0.04 3.23 3.34 1wv4B1 TRP 211 HD1 0.09 0.05 0.06 -0.04 7.22 7.38 1wv4B1 TRP 211 HE1 0.04 -0.07 0.00 -0.04 10.20 10.13 1wv4B1 TRP 211 HE3 0.19 0.00 -0.47 -0.04 7.59 7.28 1wv4B1 TRP 211 HZ2 0.01 -0.05 -0.01 -0.04 7.44 7.36 1wv4B1 TRP 211 HZ3 0.09 0.09 -0.39 -0.04 7.13 6.88 1wv4B1 TRP 211 HH2 0.01 0.08 -0.08 -0.04 7.19 7.16 1wv4B1 LYS 212 H 0.19 0.87 0.37 -0.55 8.42 9.30 1wv4B1 LYS 212 HA 0.07 0.07 0.74 -0.75 4.32 4.44 1wv4B1 LYS 212 HB2 0.06 0.02 0.12 -0.04 1.87 2.03 1wv4B1 LYS 212 HB3 0.08 -0.07 0.16 -0.04 1.79 1.92 1wv4B1 LYS 212 HG2 0.03 -0.01 0.03 -0.04 1.46 1.47 1wv4B1 LYS 212 HG3 0.03 -0.04 -0.01 -0.04 1.46 1.41 1wv4B1 LYS 212 HD2 0.04 -0.03 -0.22 -0.04 1.69 1.44 1wv4B1 LYS 212 HD3 0.03 0.00 0.09 -0.04 1.68 1.76 1wv4B1 LYS 212 HE2 0.02 0.07 0.04 -0.04 2.99 3.08 1wv4B1 LYS 212 HE3 0.02 -0.03 0.04 -0.04 2.99 2.97 1wv4B1 ILE 213 H -0.00 0.15 0.24 -0.55 8.25 8.08 1wv4B1 ILE 213 HA -0.14 0.35 1.04 -0.75 4.18 4.67 1wv4B1 ILE 213 HB -0.13 -0.04 0.11 -0.04 1.89 1.79 1wv4B1 ILE 213 HG12 -0.57 0.02 -0.06 -0.04 1.49 0.85 1wv4B1 ILE 213 HG13 -1.12 0.01 -0.10 -0.04 1.21 -0.05 1wv4B1 ILE 213 HG23 -0.21 -0.01 -0.16 -0.04 0.93 0.51 1wv4B1 ILE 213 HD13 -0.04 -0.01 -0.14 -0.04 0.88 0.65 1wv4B1 ASP 214 H 0.02 0.45 0.36 -0.55 8.40 8.69 1wv4B1 ASP 214 HA 0.06 0.13 0.89 -0.75 4.63 4.96 1wv4B1 ASP 214 HB2 0.06 -0.06 -0.02 -0.04 2.71 2.65 1wv4B1 ASP 214 HB3 0.04 0.07 -0.01 -0.04 2.70 2.77 1wv4B1 ARG 215 H 0.06 0.16 0.23 -0.55 8.46 8.35 1wv4B1 ARG 215 HA -0.22 0.28 1.04 -0.75 4.34 4.69 1wv4B1 ARG 215 HB2 0.09 -0.07 0.14 -0.04 1.90 2.03 1wv4B1 ARG 215 HB3 -0.01 -0.05 0.20 -0.04 1.80 1.90 1wv4B1 ARG 215 HG2 -0.15 0.01 -0.02 -0.04 1.67 1.47 1wv4B1 ARG 215 HG3 -0.51 0.18 0.26 -0.04 1.67 1.56 1wv4B1 ARG 215 HD2 -0.07 -0.08 0.09 -0.04 3.22 3.13 1wv4B1 ARG 215 HD3 -0.03 -0.06 0.07 -0.04 3.22 3.16 1wv4B1 LEU 216 H -0.18 0.49 0.24 -0.55 8.37 8.37 1wv4B1 LEU 216 HA -0.01 0.14 0.84 -0.75 4.35 4.56 1wv4B1 LEU 216 HB2 0.02 0.04 -0.06 -0.04 1.64 1.59 1wv4B1 LEU 216 HB3 0.03 -0.05 0.10 -0.04 1.64 1.68 1wv4B1 LEU 216 HG 0.04 -0.03 -0.26 -0.04 1.64 1.35 1wv4B1 LEU 216 HD13 0.07 -0.00 -0.11 -0.04 0.93 0.85 1wv4B1 LEU 216 HD23 0.03 0.03 -0.21 -0.04 0.89 0.71 1wv4B1 ALA 217 H 0.01 0.07 0.13 -0.55 8.40 8.07 1wv4B1 ALA 217 HA -0.01 0.21 0.71 -0.75 4.34 4.50 1wv4B1 ALA 217 HB3 0.02 -0.00 0.07 -0.04 1.41 1.46 1wv4B1 PRO 218 HA 0.13 0.16 0.18 -0.51 4.44 4.40 1wv4B1 PRO 218 HB2 0.16 0.02 0.09 -0.04 2.28 2.51 1wv4B1 PRO 218 HB3 0.31 -0.17 0.08 -0.04 2.02 2.20 1wv4B1 PRO 218 HG2 0.02 -0.01 0.09 -0.04 2.03 2.09 1wv4B1 PRO 218 HG3 -0.01 0.38 0.04 -0.04 2.03 2.41 1wv4B1 PRO 218 HD2 0.03 0.05 0.18 -0.04 3.68 3.90 1wv4B1 PRO 218 HD3 -0.01 0.19 0.25 -0.04 3.65 4.03