============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TRP 10 1.040 -2.287 -1.908 97.028 -99.200 -91.000 TRP6 10 1.020 0.045 -1.607 97.166 -99.200 -91.000 PHE 14 1.000 -1.375 -10.153 97.573 -99.200 -91.000 PHE 23 1.000 2.679 -4.660 93.216 -99.200 -91.000 TYR 45 0.840 9.914 -15.665 99.725 -99.200 -91.000 PHE 51 1.000 21.547 -14.927 89.250 -99.200 -91.000 HIS 69 0.900 22.418 -6.316 67.014 -99.200 -91.000 PHE 72 1.000 22.662 -16.196 74.340 -99.200 -91.000 TRP 74 1.040 17.946 -26.922 70.637 -99.200 -91.000 TRP6 74 1.020 16.606 -27.992 69.008 -99.200 -91.000 TRP 84 1.040 12.858 -22.862 77.528 -99.200 -91.000 TRP6 84 1.020 13.180 -23.964 79.595 -99.200 -91.000 PHE 102 1.000 19.812 -15.779 80.422 -99.200 -91.000 TYR 117 0.840 30.978 -8.561 86.931 -99.200 -91.000 PHE 121 1.000 25.591 -6.540 88.987 -99.200 -91.000 TYR 123 0.840 19.945 -10.943 92.314 -99.200 -91.000 PHE 135 1.000 24.115 -19.210 90.891 -99.200 -91.000 PHE 151 1.000 19.652 -6.399 89.958 -99.200 -91.000 TYR 156 0.840 14.537 4.580 85.237 -99.200 -91.000 TYR 182 0.840 0.641 1.311 80.254 -99.200 -91.000 HIS 185 0.900 11.934 -1.329 80.456 -99.200 -91.000 PHE 190 1.000 6.440 -22.583 89.058 -99.200 -91.000 TRP 203 1.040 10.818 -14.304 92.793 -99.200 -91.000 TRP6 203 1.020 11.084 -12.455 94.246 -99.200 -91.000 TRP 204 1.040 5.502 -9.629 86.060 -99.200 -91.000 TRP6 204 1.020 3.804 -7.996 85.897 -99.200 -91.000 TRP 207 1.040 11.783 0.146 84.788 -99.200 -91.000 TRP6 207 1.020 13.427 -1.529 84.521 -99.200 -91.000 TYR 215 0.840 4.261 4.961 89.495 -99.200 -91.000 PHE 216 1.000 12.366 2.257 90.027 -99.200 -91.000 PHE 217 1.000 6.271 -4.671 88.276 -99.200 -91.000 PHE 219 1.000 2.431 -11.375 93.284 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2hpbB1 MET 19 HA -0.02 -0.02 0.14 -0.75 4.52 3.86 2hpbB1 MET 19 HB2 0.01 -0.05 -0.11 -0.04 2.15 1.96 2hpbB1 MET 19 HB3 0.02 -0.04 0.02 -0.04 2.03 1.99 2hpbB1 MET 19 HG2 -0.03 -0.01 -0.08 -0.04 2.63 2.47 2hpbB1 MET 19 HG3 0.02 -0.06 -0.11 -0.04 2.56 2.36 2hpbB1 MET 19 HE3 0.07 -0.00 -0.23 -0.04 2.10 1.90 2hpbB1 GLY 20 H 0.01 0.36 0.26 -0.55 8.43 8.52 2hpbB1 GLY 20 HA2 0.00 0.14 0.78 -0.51 4.01 4.43 2hpbB1 GLY 20 HA3 0.01 0.02 0.35 -0.51 4.01 3.88 2hpbB1 SER 21 H 0.02 0.31 0.38 -0.55 8.46 8.62 2hpbB1 SER 21 HA 0.01 0.11 0.42 -0.75 4.49 4.28 2hpbB1 SER 21 HB2 0.01 -0.01 0.15 -0.04 3.95 4.05 2hpbB1 SER 21 HB3 0.01 0.14 -0.01 -0.04 3.93 4.03 2hpbB1 ILE 22 H 0.01 0.30 0.20 -0.55 8.25 8.21 2hpbB1 ILE 22 HA 0.03 0.22 0.62 -0.75 4.18 4.30 2hpbB1 ILE 22 HB 0.03 0.08 -0.10 -0.04 1.89 1.87 2hpbB1 ILE 22 HG12 0.03 -0.08 -0.23 -0.04 1.49 1.16 2hpbB1 ILE 22 HG13 0.04 -0.01 -0.19 -0.04 1.21 1.02 2hpbB1 ILE 22 HG23 0.02 -0.01 -0.10 -0.04 0.93 0.80 2hpbB1 ILE 22 HD13 0.05 -0.00 -0.14 -0.04 0.88 0.74 2hpbB1 THR 23 H 0.01 0.44 0.22 -0.55 8.28 8.40 2hpbB1 THR 23 HA -0.02 0.14 0.78 -0.75 4.39 4.53 2hpbB1 THR 23 HB -0.04 -0.01 0.06 -0.04 4.32 4.29 2hpbB1 THR 23 HG23 -0.05 0.03 0.02 -0.04 1.22 1.19 2hpbB1 GLU 24 H -0.04 0.19 0.16 -0.55 8.60 8.37 2hpbB1 GLU 24 HA -0.07 0.24 0.92 -0.75 4.29 4.63 2hpbB1 GLU 24 HB2 -0.03 -0.04 0.06 -0.04 2.09 2.04 2hpbB1 GLU 24 HB3 -0.05 0.03 0.13 -0.04 1.99 2.07 2hpbB1 GLU 24 HG2 -0.06 0.09 -0.20 -0.04 2.34 2.13 2hpbB1 GLU 24 HG3 -0.03 -0.17 -0.39 -0.04 2.34 1.71 2hpbB1 ASN 25 H -0.23 1.15 0.39 -0.55 8.53 9.30 2hpbB1 ASN 25 HA -0.24 0.15 0.89 -0.75 4.76 4.81 2hpbB1 ASN 25 HB2 -0.44 0.07 -0.07 -0.04 2.88 2.41 2hpbB1 ASN 25 HB3 -1.06 -0.01 0.10 -0.04 2.79 1.79 2hpbB1 ASN 25 HD21 -0.45 0.05 -0.02 -0.04 7.03 6.57 2hpbB1 ASN 25 HD22 -0.79 0.05 -0.02 -0.04 7.74 6.95 2hpbB1 THR 26 H -0.13 0.27 0.09 -0.55 8.28 7.96 2hpbB1 THR 26 HA -0.05 0.11 0.47 -0.75 4.39 4.16 2hpbB1 THR 26 HB -0.02 0.02 0.17 -0.04 4.32 4.45 2hpbB1 THR 26 HG23 -0.05 0.04 0.06 -0.04 1.22 1.24 2hpbB1 SER 27 H -0.18 0.08 -0.39 -0.55 8.46 7.42 2hpbB1 SER 27 HA 0.01 0.10 0.48 -0.75 4.49 4.33 2hpbB1 SER 27 HB2 0.01 0.06 0.08 -0.04 3.95 4.05 2hpbB1 SER 27 HB3 -0.09 -0.01 0.08 -0.04 3.93 3.87 2hpbB1 TRP 28 H -0.06 0.29 -0.17 -0.55 7.97 7.48 2hpbB1 TRP 28 HA 0.10 0.11 0.33 -0.75 4.62 4.40 2hpbB1 TRP 28 HB2 0.23 0.01 0.03 -0.04 3.23 3.46 2hpbB1 TRP 28 HB3 0.25 -0.02 0.08 -0.04 3.23 3.50 2hpbB1 TRP 28 HD1 0.07 0.02 -0.09 -0.04 7.22 7.18 2hpbB1 TRP 28 HE1 0.07 0.08 -0.06 -0.04 10.20 10.25 2hpbB1 TRP 28 HE3 0.32 -0.11 -0.02 -0.04 7.59 7.73 2hpbB1 TRP 28 HZ2 0.12 0.06 -0.06 -0.04 7.44 7.51 2hpbB1 TRP 28 HZ3 0.16 0.08 -0.20 -0.04 7.13 7.14 2hpbB1 TRP 28 HH2 0.10 0.07 -0.06 -0.04 7.19 7.26 2hpbB1 ASN 29 H 0.21 0.41 -0.65 -0.55 8.53 7.95 2hpbB1 ASN 29 HA 0.37 -0.00 0.39 -0.75 4.76 4.76 2hpbB1 ASN 29 HB2 0.10 0.13 0.12 -0.04 2.88 3.18 2hpbB1 ASN 29 HB3 0.10 -0.05 0.08 -0.04 2.79 2.87 2hpbB1 ASN 29 HD21 -0.01 -0.07 0.15 -0.04 7.03 7.06 2hpbB1 ASN 29 HD22 0.02 -0.00 0.11 -0.04 7.74 7.83 2hpbB1 LYS 30 H 0.16 0.38 -0.17 -0.55 8.42 8.24 2hpbB1 LYS 30 HA 0.09 0.03 0.45 -0.75 4.32 4.13 2hpbB1 LYS 30 HB2 0.08 0.03 0.12 -0.04 1.87 2.05 2hpbB1 LYS 30 HB3 0.12 0.06 0.08 -0.04 1.79 2.00 2hpbB1 LYS 30 HG2 0.03 0.01 -0.40 -0.04 1.46 1.06 2hpbB1 LYS 30 HG3 0.04 -0.01 -0.01 -0.04 1.46 1.44 2hpbB1 LYS 30 HD2 0.05 0.01 -0.02 -0.04 1.69 1.70 2hpbB1 LYS 30 HD3 0.05 -0.00 -0.07 -0.04 1.68 1.62 2hpbB1 LYS 30 HE2 0.02 -0.00 -0.03 -0.04 2.99 2.93 2hpbB1 LYS 30 HE3 0.01 0.02 -0.04 -0.04 2.99 2.94 2hpbB1 GLU 31 H 0.14 0.41 -0.21 -0.55 8.60 8.39 2hpbB1 GLU 31 HA -0.05 0.08 0.44 -0.75 4.29 4.01 2hpbB1 GLU 31 HB2 -0.19 0.04 0.02 -0.04 2.09 1.92 2hpbB1 GLU 31 HB3 -0.23 -0.01 0.08 -0.04 1.99 1.79 2hpbB1 GLU 31 HG2 0.03 -0.02 0.03 -0.04 2.34 2.34 2hpbB1 GLU 31 HG3 -0.15 -0.00 -0.03 -0.04 2.34 2.12 2hpbB1 PHE 32 H 0.32 0.24 -0.23 -0.55 8.34 8.11 2hpbB1 PHE 32 HA 0.06 0.07 0.57 -0.75 4.62 4.56 2hpbB1 PHE 32 HB2 0.08 0.07 0.23 -0.04 3.15 3.49 2hpbB1 PHE 32 HB3 0.06 0.19 0.05 -0.04 3.06 3.32 2hpbB1 PHE 32 HD2 0.12 0.07 -0.13 -0.04 7.28 7.30 2hpbB1 PHE 32 HE2 0.14 -0.04 -0.21 -0.04 7.38 7.23 2hpbB1 PHE 32 HZ 0.29 -0.08 -0.34 -0.04 7.32 7.15 2hpbB1 SER 33 H 0.20 0.68 0.15 -0.55 8.46 8.95 2hpbB1 SER 33 HA 0.09 0.01 0.39 -0.75 4.49 4.23 2hpbB1 SER 33 HB2 0.08 0.05 0.11 -0.04 3.95 4.14 2hpbB1 SER 33 HB3 0.05 0.01 -0.01 -0.04 3.93 3.94 2hpbB1 ALA 34 H 0.05 0.36 -0.34 -0.55 8.40 7.92 2hpbB1 ALA 34 HA 0.01 0.00 0.35 -0.75 4.34 3.95 2hpbB1 ALA 34 HB3 -0.02 0.04 0.06 -0.04 1.41 1.45 2hpbB1 GLU 35 H 0.00 0.28 -0.25 -0.55 8.60 8.08 2hpbB1 GLU 35 HA -0.01 0.14 0.69 -0.75 4.29 4.36 2hpbB1 GLU 35 HB2 -0.03 0.04 0.07 -0.04 2.09 2.12 2hpbB1 GLU 35 HB3 -0.03 -0.04 0.12 -0.04 1.99 2.00 2hpbB1 GLU 35 HG2 -0.06 -0.05 -0.14 -0.04 2.34 2.06 2hpbB1 GLU 35 HG3 -0.09 -0.03 -0.00 -0.04 2.34 2.18 2hpbB1 ALA 36 H 0.04 0.45 -0.54 -0.55 8.40 7.80 2hpbB1 ALA 36 HA 0.06 -0.02 0.28 -0.75 4.34 3.90 2hpbB1 ALA 36 HB3 0.03 0.00 0.08 -0.04 1.41 1.47 2hpbB1 VAL 37 H 0.14 0.44 -0.12 -0.55 8.24 8.15 2hpbB1 VAL 37 HA 0.09 0.17 0.79 -0.75 4.13 4.42 2hpbB1 VAL 37 HB 0.25 -0.07 0.03 -0.04 2.12 2.29 2hpbB1 VAL 37 HG13 0.24 -0.01 -0.24 -0.04 0.97 0.91 2hpbB1 VAL 37 HG23 0.04 0.01 -0.18 -0.04 0.95 0.77 2hpbB1 ASN 38 H 0.06 0.25 0.13 -0.55 8.53 8.42 2hpbB1 ASN 38 HA 0.00 0.13 0.89 -0.75 4.76 5.03 2hpbB1 ASN 38 HB2 0.01 0.01 0.23 -0.04 2.88 3.08 2hpbB1 ASN 38 HB3 -0.02 -0.01 0.07 -0.04 2.79 2.78 2hpbB1 ASN 38 HD21 0.01 0.01 -0.02 -0.04 7.03 6.99 2hpbB1 ASN 38 HD22 0.01 0.00 0.02 -0.04 7.74 7.73 2hpbB1 GLY 39 H -0.15 0.30 0.13 -0.55 8.43 8.16 2hpbB1 GLY 39 HA2 -0.20 0.10 0.78 -0.51 4.01 4.18 2hpbB1 GLY 39 HA3 0.03 0.09 0.28 -0.51 4.01 3.90 2hpbB1 VAL 40 H -0.35 0.79 0.38 -0.55 8.24 8.51 2hpbB1 VAL 40 HA -0.07 0.03 0.83 -0.75 4.13 4.16 2hpbB1 VAL 40 HB -0.08 -0.01 -0.27 -0.04 2.12 1.73 2hpbB1 VAL 40 HG13 -0.06 0.04 -0.17 -0.04 0.97 0.73 2hpbB1 VAL 40 HG23 0.06 -0.02 -0.04 -0.04 0.95 0.92 2hpbB1 PHE 41 H 0.45 0.08 0.25 -0.55 8.34 8.56 2hpbB1 PHE 41 HA 0.33 0.33 1.08 -0.75 4.62 5.61 2hpbB1 PHE 41 HB2 0.52 0.02 -0.01 -0.04 3.15 3.64 2hpbB1 PHE 41 HB3 0.34 -0.11 0.12 -0.04 3.06 3.37 2hpbB1 PHE 41 HD2 -0.23 -0.01 -0.06 -0.04 7.28 6.94 2hpbB1 PHE 41 HE2 -0.28 0.01 -0.12 -0.04 7.38 6.94 2hpbB1 PHE 41 HZ -0.31 0.02 -0.10 -0.04 7.32 6.89 2hpbB1 VAL 42 H -0.08 0.76 0.39 -0.55 8.24 8.77 2hpbB1 VAL 42 HA 0.09 0.20 1.09 -0.75 4.13 4.76 2hpbB1 VAL 42 HB 0.06 0.02 0.11 -0.04 2.12 2.28 2hpbB1 VAL 42 HG13 0.07 0.01 -0.13 -0.04 0.97 0.88 2hpbB1 VAL 42 HG23 0.11 -0.03 -0.13 -0.04 0.95 0.86 2hpbB1 LEU 43 H 0.11 0.66 0.35 -0.55 8.37 8.95 2hpbB1 LEU 43 HA -0.08 0.31 1.13 -0.75 4.35 4.95 2hpbB1 LEU 43 HB2 -0.46 -0.05 -0.16 -0.04 1.64 0.93 2hpbB1 LEU 43 HB3 0.33 -0.05 0.13 -0.04 1.64 2.01 2hpbB1 LEU 43 HG 0.21 0.01 -0.30 -0.04 1.64 1.52 2hpbB1 LEU 43 HD13 0.11 0.03 -0.11 -0.04 0.93 0.92 2hpbB1 LEU 43 HD23 0.10 -0.01 -0.11 -0.04 0.89 0.83 2hpbB1 CYS 44 H 0.17 0.72 0.34 -0.55 8.50 9.18 2hpbB1 CYS 44 HA 0.15 0.25 1.15 -0.75 4.58 5.38 2hpbB1 CYS 44 HB2 0.28 -0.03 0.10 -0.04 2.97 3.27 2hpbB1 CYS 44 HB3 0.16 0.06 -0.14 -0.04 2.97 3.01 2hpbB1 LYS 45 H 0.11 0.69 0.36 -0.55 8.42 9.03 2hpbB1 LYS 45 HA -0.21 0.19 0.91 -0.75 4.32 4.46 2hpbB1 LYS 45 HB2 0.16 0.07 0.09 -0.04 1.87 2.15 2hpbB1 LYS 45 HB3 0.05 -0.09 0.19 -0.04 1.79 1.90 2hpbB1 LYS 45 HG2 -0.11 -0.21 0.01 -0.04 1.46 1.10 2hpbB1 LYS 45 HG3 -0.26 0.07 0.08 -0.04 1.46 1.31 2hpbB1 LYS 45 HD2 0.06 -0.02 0.01 -0.04 1.69 1.71 2hpbB1 LYS 45 HD3 0.04 0.01 0.01 -0.04 1.68 1.70 2hpbB1 LYS 45 HE2 0.41 0.03 -0.02 -0.04 2.99 3.37 2hpbB1 LYS 45 HE3 0.23 0.01 -0.02 -0.04 2.99 3.17 2hpbB1 SER 46 H -0.31 0.53 0.41 -0.55 8.46 8.55 2hpbB1 SER 46 HA 0.12 0.10 0.34 -0.75 4.49 4.30 2hpbB1 SER 46 HB2 -0.25 0.09 0.18 -0.04 3.95 3.93 2hpbB1 SER 46 HB3 -0.18 -0.15 0.29 -0.04 3.93 3.85 2hpbB1 SER 47 H -0.11 0.04 0.09 -0.55 8.46 7.94 2hpbB1 SER 47 HA -0.01 0.13 0.39 -0.75 4.49 4.25 2hpbB1 SER 47 HB2 -0.01 0.06 0.04 -0.04 3.95 3.99 2hpbB1 SER 47 HB3 -0.04 0.04 0.16 -0.04 3.93 4.05 2hpbB1 SER 48 H -0.01 0.00 -0.21 -0.55 8.46 7.69 2hpbB1 SER 48 HA 0.01 0.18 0.59 -0.75 4.49 4.51 2hpbB1 SER 48 HB2 0.02 0.03 0.09 -0.04 3.95 4.06 2hpbB1 SER 48 HB3 0.02 -0.01 0.03 -0.04 3.93 3.93 2hpbB1 LYS 49 H 0.02 0.19 -0.37 -0.55 8.42 7.70 2hpbB1 LYS 49 HA 0.04 0.09 0.32 -0.75 4.32 4.02 2hpbB1 LYS 49 HB2 0.01 0.06 -0.33 -0.04 1.87 1.57 2hpbB1 LYS 49 HB3 0.01 -0.03 0.17 -0.04 1.79 1.90 2hpbB1 LYS 49 HG2 0.00 0.02 -0.01 -0.04 1.46 1.43 2hpbB1 LYS 49 HG3 0.01 -0.16 0.09 -0.04 1.46 1.36 2hpbB1 LYS 49 HD2 0.03 -0.04 0.08 -0.04 1.69 1.73 2hpbB1 LYS 49 HD3 0.02 0.17 0.05 -0.04 1.68 1.88 2hpbB1 LYS 49 HE2 -0.01 -0.01 -0.01 -0.04 2.99 2.91 2hpbB1 LYS 49 HE3 -0.03 -0.01 -0.01 -0.04 2.99 2.91 2hpbB1 SER 50 H 0.05 0.10 -0.16 -0.55 8.46 7.91 2hpbB1 SER 50 HA 0.04 0.16 1.00 -0.75 4.49 4.93 2hpbB1 SER 50 HB2 0.04 0.03 -0.07 -0.04 3.95 3.91 2hpbB1 SER 50 HB3 0.03 0.10 -0.10 -0.04 3.93 3.92 2hpbB1 CYS 51 H 0.05 0.57 0.27 -0.55 8.50 8.84 2hpbB1 CYS 51 HA 0.12 0.26 1.13 -0.75 4.58 5.33 2hpbB1 CYS 51 HB2 0.06 -0.01 0.18 -0.04 2.97 3.15 2hpbB1 CYS 51 HB3 0.09 -0.04 0.00 -0.04 2.97 2.98 2hpbB1 ALA 52 H 0.18 0.65 0.41 -0.55 8.40 9.09 2hpbB1 ALA 52 HA 0.01 0.22 0.92 -0.75 4.34 4.74 2hpbB1 ALA 52 HB3 0.06 0.00 0.07 -0.04 1.41 1.51 2hpbB1 THR 53 H -0.04 0.64 0.47 -0.55 8.28 8.80 2hpbB1 THR 53 HA 0.47 0.31 0.71 -0.75 4.39 5.12 2hpbB1 THR 53 HB 0.13 0.08 -0.01 -0.04 4.32 4.47 2hpbB1 THR 53 HG23 0.04 -0.01 -0.33 -0.04 1.22 0.88 2hpbB1 ASN 54 H 0.35 0.29 0.27 -0.55 8.53 8.90 2hpbB1 ASN 54 HA -0.03 0.16 0.58 -0.75 4.76 4.72 2hpbB1 ASN 54 HB2 0.05 0.01 0.09 -0.04 2.88 2.99 2hpbB1 ASN 54 HB3 0.44 0.02 0.10 -0.04 2.79 3.31 2hpbB1 ASN 54 HD21 -0.63 0.33 0.12 -0.04 7.03 6.81 2hpbB1 ASN 54 HD22 -0.39 -0.02 -0.03 -0.04 7.74 7.26 2hpbB1 ASP 55 H 0.06 0.11 -0.14 -0.55 8.40 7.88 2hpbB1 ASP 55 HA -0.02 0.18 0.85 -0.75 4.63 4.88 2hpbB1 ASP 55 HB2 -0.10 0.13 -0.19 -0.04 2.71 2.51 2hpbB1 ASP 55 HB3 -0.04 -0.04 0.15 -0.04 2.70 2.73 2hpbB1 LEU 56 H -0.01 0.25 0.03 -0.55 8.37 8.10 2hpbB1 LEU 56 HA 0.02 0.10 0.29 -0.75 4.35 4.00 2hpbB1 LEU 56 HB2 -0.00 -0.00 0.06 -0.04 1.64 1.66 2hpbB1 LEU 56 HB3 0.01 0.10 -0.07 -0.04 1.64 1.63 2hpbB1 LEU 56 HG -0.00 -0.08 -0.11 -0.04 1.64 1.40 2hpbB1 LEU 56 HD13 -0.01 0.02 -0.03 -0.04 0.93 0.87 2hpbB1 LEU 56 HD23 0.01 0.02 -0.21 -0.04 0.89 0.66 2hpbB1 ALA 57 H -0.00 0.08 -0.15 -0.55 8.40 7.78 2hpbB1 ALA 57 HA 0.01 0.15 0.39 -0.75 4.34 4.14 2hpbB1 ALA 57 HB3 -0.00 0.03 0.03 -0.04 1.41 1.42 2hpbB1 ARG 58 H 0.00 0.08 -0.21 -0.55 8.46 7.78 2hpbB1 ARG 58 HA 0.06 0.10 0.40 -0.75 4.34 4.14 2hpbB1 ARG 58 HB2 -0.01 -0.01 0.01 -0.04 1.90 1.85 2hpbB1 ARG 58 HB3 -0.01 0.04 -0.08 -0.04 1.80 1.70 2hpbB1 ARG 58 HG2 0.13 -0.00 0.00 -0.04 1.67 1.76 2hpbB1 ARG 58 HG3 0.08 0.03 -0.06 -0.04 1.67 1.68 2hpbB1 ARG 58 HD2 -0.08 0.03 -0.23 -0.04 3.22 2.90 2hpbB1 ARG 58 HD3 -0.11 -0.02 -0.44 -0.04 3.22 2.60 2hpbB1 ALA 59 H 0.04 0.35 -0.37 -0.55 8.40 7.87 2hpbB1 ALA 59 HA 0.09 0.00 0.38 -0.75 4.34 4.06 2hpbB1 ALA 59 HB3 0.06 0.05 0.03 -0.04 1.41 1.51 2hpbB1 SER 60 H 0.04 0.32 -0.50 -0.55 8.46 7.78 2hpbB1 SER 60 HA 0.05 0.04 0.77 -0.75 4.49 4.60 2hpbB1 SER 60 HB2 0.01 0.12 0.04 -0.04 3.95 4.08 2hpbB1 SER 60 HB3 0.01 -0.02 0.06 -0.04 3.93 3.94 2hpbB1 LYS 61 H 0.05 0.13 -0.22 -0.55 8.42 7.83 2hpbB1 LYS 61 HA -0.10 0.00 0.54 -0.75 4.32 4.01 2hpbB1 LYS 61 HB2 -0.02 0.00 0.09 -0.04 1.87 1.90 2hpbB1 LYS 61 HB3 0.01 0.00 0.03 -0.04 1.79 1.79 2hpbB1 LYS 61 HG2 -0.70 0.08 -0.14 -0.04 1.46 0.65 2hpbB1 LYS 61 HG3 -0.21 -0.03 0.05 -0.04 1.46 1.24 2hpbB1 LYS 61 HD2 -0.03 0.00 -0.05 -0.04 1.69 1.57 2hpbB1 LYS 61 HD3 0.04 -0.02 -0.07 -0.04 1.68 1.60 2hpbB1 LYS 61 HE2 -0.01 -0.02 -0.04 -0.04 2.99 2.88 2hpbB1 LYS 61 HE3 -0.12 0.05 -0.04 -0.04 2.99 2.84 2hpbB1 GLU 62 H -0.26 0.18 0.08 -0.55 8.60 8.06 2hpbB1 GLU 62 HA 0.02 0.21 0.23 -0.75 4.29 4.00 2hpbB1 GLU 62 HB2 -0.09 0.02 0.02 -0.04 2.09 2.00 2hpbB1 GLU 62 HB3 -0.01 -0.06 -0.33 -0.04 1.99 1.55 2hpbB1 GLU 62 HG2 0.01 -0.11 -0.31 -0.04 2.34 1.88 2hpbB1 GLU 62 HG3 -0.03 0.12 -0.16 -0.04 2.34 2.22 2hpbB1 TYR 63 H 0.38 0.78 0.26 -0.55 8.29 9.17 2hpbB1 TYR 63 HA 0.13 0.19 0.90 -0.75 4.56 5.03 2hpbB1 TYR 63 HB2 0.34 0.05 -0.07 -0.04 3.06 3.34 2hpbB1 TYR 63 HB3 0.13 0.00 0.01 -0.04 2.98 3.08 2hpbB1 TYR 63 HD2 -0.00 0.06 -0.09 -0.04 7.15 7.07 2hpbB1 TYR 63 HE2 -0.06 0.07 -0.12 -0.04 6.85 6.69 2hpbB1 LEU 64 H 0.28 0.13 0.09 -0.55 8.37 8.32 2hpbB1 LEU 64 HA 0.18 0.34 0.55 -0.75 4.35 4.67 2hpbB1 LEU 64 HB2 0.22 -0.10 0.10 -0.04 1.64 1.81 2hpbB1 LEU 64 HB3 0.15 0.04 -0.04 -0.04 1.64 1.75 2hpbB1 LEU 64 HG 0.12 0.00 -0.04 -0.04 1.64 1.68 2hpbB1 LEU 64 HD13 0.07 0.03 -0.07 -0.04 0.93 0.92 2hpbB1 LEU 64 HD23 0.05 0.08 -0.42 -0.04 0.89 0.56 2hpbB1 PRO 65 HA -0.23 0.08 0.37 -0.51 4.44 4.15 2hpbB1 PRO 65 HB2 0.14 0.05 -0.06 -0.04 2.28 2.37 2hpbB1 PRO 65 HB3 0.13 -0.01 -0.09 -0.04 2.02 2.01 2hpbB1 PRO 65 HG2 0.18 -0.02 -0.07 -0.04 2.03 2.08 2hpbB1 PRO 65 HG3 0.19 0.01 -0.13 -0.04 2.03 2.05 2hpbB1 PRO 65 HD2 0.06 0.13 0.26 -0.04 3.68 4.08 2hpbB1 PRO 65 HD3 0.14 0.30 0.07 -0.04 3.65 4.12 2hpbB1 ALA 66 H 0.08 0.59 -0.08 -0.55 8.40 8.45 2hpbB1 ALA 66 HA 0.03 0.06 0.13 -0.75 4.34 3.80 2hpbB1 ALA 66 HB3 0.18 0.05 -0.02 -0.04 1.41 1.59 2hpbB1 SER 67 H 0.10 0.06 0.23 -0.55 8.46 8.31 2hpbB1 SER 67 HA -0.06 -0.01 0.21 -0.75 4.49 3.88 2hpbB1 SER 67 HB2 0.09 0.13 0.22 -0.04 3.95 4.35 2hpbB1 SER 67 HB3 -0.03 0.07 0.13 -0.04 3.93 4.06 2hpbB1 THR 68 H 0.01 0.35 -0.42 -0.55 8.28 7.67 2hpbB1 THR 68 HA -0.02 0.10 0.26 -0.75 4.39 3.98 2hpbB1 THR 68 HB -0.19 -0.04 -0.02 -0.04 4.32 4.03 2hpbB1 THR 68 HG23 -0.13 0.01 -0.20 -0.04 1.22 0.86 2hpbB1 PHE 69 H 0.09 0.55 -0.52 -0.55 8.34 7.91 2hpbB1 PHE 69 HA -0.14 0.08 0.45 -0.75 4.62 4.25 2hpbB1 PHE 69 HB2 -0.05 -0.01 -0.05 -0.04 3.15 3.00 2hpbB1 PHE 69 HB3 -0.14 0.07 -0.14 -0.04 3.06 2.81 2hpbB1 PHE 69 HD2 -0.25 0.03 -0.18 -0.04 7.28 6.84 2hpbB1 PHE 69 HE2 -0.13 0.04 -0.11 -0.04 7.38 7.14 2hpbB1 PHE 69 HZ 0.14 0.05 -0.12 -0.04 7.32 7.35 2hpbB1 LYS 70 H -0.16 0.70 -0.41 -0.55 8.42 8.00 2hpbB1 LYS 70 HA -0.50 -0.04 0.34 -0.75 4.32 3.37 2hpbB1 LYS 70 HB2 -0.37 0.28 0.10 -0.04 1.87 1.83 2hpbB1 LYS 70 HB3 -0.96 -0.04 -0.02 -0.04 1.79 0.72 2hpbB1 LYS 70 HG2 -1.17 -0.10 -0.08 -0.04 1.46 0.07 2hpbB1 LYS 70 HG3 -0.40 -0.03 0.01 -0.04 1.46 1.00 2hpbB1 LYS 70 HD2 -0.38 0.11 0.04 -0.04 1.69 1.42 2hpbB1 LYS 70 HD3 -1.01 0.01 -0.11 -0.04 1.68 0.53 2hpbB1 LYS 70 HE2 -0.33 -0.10 -0.52 -0.04 2.99 2.00 2hpbB1 LYS 70 HE3 -0.40 -0.05 -0.29 -0.04 2.99 2.21 2hpbB1 ILE 71 H -0.14 0.36 -0.55 -0.55 8.25 7.37 2hpbB1 ILE 71 HA -0.01 0.06 0.33 -0.75 4.18 3.80 2hpbB1 ILE 71 HB 0.15 0.12 0.08 -0.04 1.89 2.20 2hpbB1 ILE 71 HG12 0.03 -0.01 -0.10 -0.04 1.49 1.37 2hpbB1 ILE 71 HG13 -0.00 0.07 0.01 -0.04 1.21 1.25 2hpbB1 ILE 71 HG23 0.14 -0.02 -0.18 -0.04 0.93 0.83 2hpbB1 ILE 71 HD13 0.11 -0.01 -0.09 -0.04 0.88 0.85 2hpbB1 PRO 72 HA 0.08 0.05 0.40 -0.51 4.44 4.46 2hpbB1 PRO 72 HB2 -0.54 0.02 -0.12 -0.04 2.28 1.60 2hpbB1 PRO 72 HB3 -0.28 0.05 0.01 -0.04 2.02 1.76 2hpbB1 PRO 72 HG2 -1.71 0.13 0.08 -0.04 2.03 0.49 2hpbB1 PRO 72 HG3 -1.62 0.03 0.00 -0.04 2.03 0.40 2hpbB1 PRO 72 HD2 -0.32 0.06 0.04 -0.04 3.68 3.42 2hpbB1 PRO 72 HD3 -0.05 0.13 0.06 -0.04 3.65 3.76 2hpbB1 ASN 73 H -0.62 0.61 -0.29 -0.55 8.53 7.68 2hpbB1 ASN 73 HA -0.09 -0.01 0.25 -0.75 4.76 4.15 2hpbB1 ASN 73 HB2 -0.26 0.06 -0.02 -0.04 2.88 2.61 2hpbB1 ASN 73 HB3 0.04 0.05 -0.02 -0.04 2.79 2.82 2hpbB1 ASN 73 HD21 0.24 0.14 -0.02 -0.04 7.03 7.35 2hpbB1 ASN 73 HD22 0.32 -0.04 -0.15 -0.04 7.74 7.83 2hpbB1 ALA 74 H 0.05 0.58 -0.37 -0.55 8.40 8.11 2hpbB1 ALA 74 HA 0.16 -0.04 0.42 -0.75 4.34 4.13 2hpbB1 ALA 74 HB3 0.17 0.04 0.07 -0.04 1.41 1.65 2hpbB1 ILE 75 H 0.02 0.51 -0.15 -0.55 8.25 8.07 2hpbB1 ILE 75 HA 0.01 -0.00 0.32 -0.75 4.18 3.76 2hpbB1 ILE 75 HB 0.11 0.11 0.14 -0.04 1.89 2.20 2hpbB1 ILE 75 HG12 -0.03 -0.04 -0.05 -0.04 1.49 1.32 2hpbB1 ILE 75 HG13 -0.00 0.36 0.02 -0.04 1.21 1.54 2hpbB1 ILE 75 HG23 0.01 -0.02 -0.20 -0.04 0.93 0.68 2hpbB1 ILE 75 HD13 -0.22 -0.02 -0.13 -0.04 0.88 0.46 2hpbB1 ILE 76 H 0.03 0.81 -0.04 -0.55 8.25 8.50 2hpbB1 ILE 76 HA -0.46 -0.01 0.38 -0.75 4.18 3.34 2hpbB1 ILE 76 HB -0.05 0.06 0.07 -0.04 1.89 1.93 2hpbB1 ILE 76 HG12 -0.28 -0.04 -0.01 -0.04 1.49 1.12 2hpbB1 ILE 76 HG13 0.14 0.04 0.00 -0.04 1.21 1.36 2hpbB1 ILE 76 HG23 -0.21 -0.01 -0.13 -0.04 0.93 0.54 2hpbB1 ILE 76 HD13 -0.01 -0.03 -0.22 -0.04 0.88 0.58 2hpbB1 GLY 77 H -0.02 0.79 -0.16 -0.55 8.43 8.49 2hpbB1 GLY 77 HA2 -0.02 -0.04 0.29 -0.51 4.01 3.74 2hpbB1 GLY 77 HA3 -0.00 0.07 0.26 -0.51 4.01 3.83 2hpbB1 LEU 78 H -0.01 0.58 -0.24 -0.55 8.37 8.15 2hpbB1 LEU 78 HA -0.00 0.23 0.66 -0.75 4.35 4.48 2hpbB1 LEU 78 HB2 0.00 0.14 0.15 -0.04 1.64 1.89 2hpbB1 LEU 78 HB3 0.00 -0.09 -0.04 -0.04 1.64 1.47 2hpbB1 LEU 78 HG 0.03 -0.01 -0.07 -0.04 1.64 1.55 2hpbB1 LEU 78 HD13 0.03 -0.02 -0.10 -0.04 0.93 0.80 2hpbB1 LEU 78 HD23 0.01 0.02 -0.23 -0.04 0.89 0.65 2hpbB1 GLU 79 H -0.07 0.64 0.06 -0.55 8.60 8.68 2hpbB1 GLU 79 HA -0.01 -0.05 0.49 -0.75 4.29 3.96 2hpbB1 GLU 79 HB2 -0.10 0.06 0.14 -0.04 2.09 2.15 2hpbB1 GLU 79 HB3 -0.41 0.06 0.16 -0.04 1.99 1.76 2hpbB1 GLU 79 HG2 0.13 0.07 0.05 -0.04 2.34 2.55 2hpbB1 GLU 79 HG3 0.11 0.02 -0.03 -0.04 2.34 2.39 2hpbB1 THR 80 H -0.11 0.65 -0.05 -0.55 8.28 8.21 2hpbB1 THR 80 HA 0.04 0.06 0.46 -0.75 4.39 4.19 2hpbB1 THR 80 HB 0.02 0.01 0.10 -0.04 4.32 4.42 2hpbB1 THR 80 HG23 -0.01 0.00 0.02 -0.04 1.22 1.19 2hpbB1 GLY 81 H -0.01 0.26 -0.79 -0.55 8.43 7.34 2hpbB1 GLY 81 HA2 -0.00 0.18 0.27 -0.51 4.01 3.94 2hpbB1 GLY 81 HA3 0.00 0.05 0.57 -0.51 4.01 4.12 2hpbB1 VAL 82 H -0.00 0.02 -0.33 -0.55 8.24 7.39 2hpbB1 VAL 82 HA 0.01 0.03 0.34 -0.75 4.13 3.75 2hpbB1 VAL 82 HB 0.01 -0.01 0.09 -0.04 2.12 2.16 2hpbB1 VAL 82 HG13 0.03 -0.01 -0.08 -0.04 0.97 0.87 2hpbB1 VAL 82 HG23 0.02 -0.00 -0.21 -0.04 0.95 0.72 2hpbB1 ILE 83 H 0.01 0.91 -0.07 -0.55 8.25 8.55 2hpbB1 ILE 83 HA -0.03 0.05 0.74 -0.75 4.18 4.18 2hpbB1 ILE 83 HB 0.03 -0.00 -0.29 -0.04 1.89 1.59 2hpbB1 ILE 83 HG12 0.36 -0.01 -0.09 -0.04 1.49 1.72 2hpbB1 ILE 83 HG13 0.08 -0.02 -0.24 -0.04 1.21 0.98 2hpbB1 ILE 83 HG23 0.02 -0.04 -0.17 -0.04 0.93 0.71 2hpbB1 ILE 83 HD13 0.02 -0.01 -0.09 -0.04 0.88 0.76 2hpbB1 LYS 84 H -0.09 0.07 0.04 -0.55 8.42 7.89 2hpbB1 LYS 84 HA -0.02 0.19 0.35 -0.75 4.32 4.09 2hpbB1 LYS 84 HB2 -0.05 0.09 0.10 -0.04 1.87 1.97 2hpbB1 LYS 84 HB3 -0.06 -0.16 0.15 -0.04 1.79 1.68 2hpbB1 LYS 84 HG2 -0.01 -0.06 -0.22 -0.04 1.46 1.13 2hpbB1 LYS 84 HG3 -0.02 0.06 0.01 -0.04 1.46 1.47 2hpbB1 LYS 84 HD2 -0.03 0.04 0.01 -0.04 1.69 1.67 2hpbB1 LYS 84 HD3 -0.04 -0.05 -0.00 -0.04 1.68 1.55 2hpbB1 LYS 84 HE2 -0.02 -0.00 -0.02 -0.04 2.99 2.91 2hpbB1 LYS 84 HE3 -0.00 -0.06 -0.06 -0.04 2.99 2.83 2hpbB1 ASN 85 H -0.04 0.09 0.06 -0.55 8.53 8.10 2hpbB1 ASN 85 HA -0.00 0.22 0.28 -0.75 4.76 4.51 2hpbB1 ASN 85 HB2 0.03 -0.14 0.22 -0.04 2.88 2.95 2hpbB1 ASN 85 HB3 0.02 0.28 0.07 -0.04 2.79 3.12 2hpbB1 ASN 85 HD21 0.06 0.02 -0.08 -0.04 7.03 6.99 2hpbB1 ASN 85 HD22 0.04 0.11 -0.08 -0.04 7.74 7.78 2hpbB1 GLU 86 H -0.05 0.21 0.14 -0.55 8.60 8.34 2hpbB1 GLU 86 HA -0.04 0.16 0.47 -0.75 4.29 4.12 2hpbB1 GLU 86 HB2 -0.11 0.05 0.15 -0.04 2.09 2.13 2hpbB1 GLU 86 HB3 -0.08 0.01 0.11 -0.04 1.99 1.99 2hpbB1 GLU 86 HG2 -0.84 0.02 -0.28 -0.04 2.34 1.20 2hpbB1 GLU 86 HG3 -0.29 0.05 -0.03 -0.04 2.34 2.04 2hpbB1 HIS 87 H -0.01 0.03 -0.25 -0.55 8.41 7.64 2hpbB1 HIS 87 HA 0.00 0.20 0.74 -0.75 4.63 4.82 2hpbB1 HIS 87 HB2 -0.02 -0.01 -0.01 -0.04 3.26 3.18 2hpbB1 HIS 87 HB3 -0.01 0.04 0.09 -0.04 3.20 3.28 2hpbB1 HIS 87 HD2 0.01 0.03 -0.02 -0.04 6.97 6.95 2hpbB1 HIS 87 HE1 0.01 0.02 -0.02 -0.04 7.75 7.71 2hpbB1 GLN 88 H -0.03 0.11 -0.37 -0.55 8.47 7.63 2hpbB1 GLN 88 HA -0.12 0.02 0.45 -0.75 4.36 3.96 2hpbB1 GLN 88 HB2 -0.16 -0.18 0.14 -0.04 2.15 1.90 2hpbB1 GLN 88 HB3 -0.20 0.15 0.11 -0.04 2.02 2.04 2hpbB1 GLN 88 HG2 -1.27 -0.03 -0.28 -0.04 2.40 0.77 2hpbB1 GLN 88 HG3 -0.55 0.15 -0.22 -0.04 2.39 1.73 2hpbB1 GLN 88 HE21 -0.22 0.18 0.09 -0.04 6.97 6.98 2hpbB1 GLN 88 HE22 -0.87 -0.02 -0.06 -0.04 7.69 6.69 2hpbB1 VAL 89 H -0.14 0.14 0.22 -0.55 8.24 7.92 2hpbB1 VAL 89 HA -0.02 0.23 0.92 -0.75 4.13 4.51 2hpbB1 VAL 89 HB -0.03 -0.04 0.12 -0.04 2.12 2.13 2hpbB1 VAL 89 HG13 0.06 -0.01 -0.25 -0.04 0.97 0.73 2hpbB1 VAL 89 HG23 0.02 0.04 -0.08 -0.04 0.95 0.90 2hpbB1 PHE 90 H 0.22 0.66 0.23 -0.55 8.34 8.90 2hpbB1 PHE 90 HA -0.00 0.10 0.78 -0.75 4.62 4.75 2hpbB1 PHE 90 HB2 -0.01 -0.03 0.18 -0.04 3.15 3.26 2hpbB1 PHE 90 HB3 -0.02 0.03 0.04 -0.04 3.06 3.06 2hpbB1 PHE 90 HD2 -0.06 0.06 -0.12 -0.04 7.28 7.11 2hpbB1 PHE 90 HE2 -0.12 -0.01 -0.11 -0.04 7.38 7.09 2hpbB1 PHE 90 HZ -0.17 -0.01 -0.09 -0.04 7.32 7.01 2hpbB1 LYS 91 H 0.07 0.19 0.10 -0.55 8.42 8.22 2hpbB1 LYS 91 HA 0.14 -0.02 0.33 -0.75 4.32 4.01 2hpbB1 LYS 91 HB2 0.05 -0.02 0.07 -0.04 1.87 1.93 2hpbB1 LYS 91 HB3 0.05 0.09 -0.08 -0.04 1.79 1.81 2hpbB1 LYS 91 HG2 0.04 -0.01 -0.03 -0.04 1.46 1.42 2hpbB1 LYS 91 HG3 0.01 0.07 0.00 -0.04 1.46 1.50 2hpbB1 LYS 91 HD2 -0.00 -0.00 0.02 -0.04 1.69 1.67 2hpbB1 LYS 91 HD3 0.01 0.02 -0.01 -0.04 1.68 1.65 2hpbB1 LYS 91 HE2 0.00 -0.01 0.00 -0.04 2.99 2.94 2hpbB1 LYS 91 HE3 -0.02 0.01 0.03 -0.04 2.99 2.97 2hpbB1 TRP 92 H 0.32 0.08 0.05 -0.55 7.97 7.88 2hpbB1 TRP 92 HA 0.06 0.09 0.80 -0.75 4.62 4.81 2hpbB1 TRP 92 HB2 0.08 0.31 -0.05 -0.04 3.23 3.53 2hpbB1 TRP 92 HB3 0.06 -0.09 -0.16 -0.04 3.23 2.99 2hpbB1 TRP 92 HD1 0.08 -0.01 0.03 -0.04 7.22 7.28 2hpbB1 TRP 92 HE1 0.07 0.35 -0.17 -0.04 10.20 10.42 2hpbB1 TRP 92 HE3 0.05 -0.07 -0.27 -0.04 7.59 7.26 2hpbB1 TRP 92 HZ2 0.04 0.06 -0.27 -0.04 7.44 7.23 2hpbB1 TRP 92 HZ3 0.03 -0.01 -0.09 -0.04 7.13 7.02 2hpbB1 TRP 92 HH2 0.03 -0.01 -0.05 -0.04 7.19 7.12 2hpbB1 ASP 93 H -0.14 0.12 0.08 -0.55 8.40 7.92 2hpbB1 ASP 93 HA -0.24 0.12 0.44 -0.75 4.63 4.21 2hpbB1 ASP 93 HB2 -0.19 0.02 0.02 -0.04 2.71 2.52 2hpbB1 ASP 93 HB3 -0.10 0.05 0.07 -0.04 2.70 2.68 2hpbB1 GLY 94 H -0.86 0.02 0.08 -0.55 8.43 7.12 2hpbB1 GLY 94 HA2 -2.02 0.06 0.20 -0.51 4.01 1.74 2hpbB1 GLY 94 HA3 -0.64 0.14 0.45 -0.51 4.01 3.45 2hpbB1 LYS 95 H -0.21 -0.06 0.10 -0.55 8.42 7.71 2hpbB1 LYS 95 HA 0.04 0.11 0.53 -0.75 4.32 4.25 2hpbB1 LYS 95 HB2 0.08 -0.06 0.11 -0.04 1.87 1.95 2hpbB1 LYS 95 HB3 0.08 0.10 0.05 -0.04 1.79 1.97 2hpbB1 LYS 95 HG2 -0.01 0.05 0.04 -0.04 1.46 1.50 2hpbB1 LYS 95 HG3 -0.06 -0.08 0.06 -0.04 1.46 1.34 2hpbB1 LYS 95 HD2 0.03 -0.02 0.03 -0.04 1.69 1.69 2hpbB1 LYS 95 HD3 0.03 0.03 0.02 -0.04 1.68 1.71 2hpbB1 LYS 95 HE2 -0.03 -0.03 0.01 -0.04 2.99 2.90 2hpbB1 LYS 95 HE3 0.00 0.00 0.01 -0.04 2.99 2.97 2hpbB1 PRO 96 HA 0.29 0.03 0.34 -0.51 4.44 4.59 2hpbB1 PRO 96 HB2 0.10 -0.02 -0.01 -0.04 2.28 2.31 2hpbB1 PRO 96 HB3 0.11 0.05 0.07 -0.04 2.02 2.20 2hpbB1 PRO 96 HG2 0.08 0.01 0.08 -0.04 2.03 2.16 2hpbB1 PRO 96 HG3 0.12 0.07 0.11 -0.04 2.03 2.29 2hpbB1 PRO 96 HD2 0.09 0.05 0.20 -0.04 3.68 3.97 2hpbB1 PRO 96 HD3 0.09 0.18 0.28 -0.04 3.65 4.16 2hpbB1 ARG 97 H 0.13 0.17 0.13 -0.55 8.46 8.35 2hpbB1 ARG 97 HA 0.19 0.18 0.78 -0.75 4.34 4.74 2hpbB1 ARG 97 HB2 0.11 0.06 -0.05 -0.04 1.90 1.97 2hpbB1 ARG 97 HB3 0.36 -0.17 0.09 -0.04 1.80 2.04 2hpbB1 ARG 97 HG2 0.27 -0.07 0.05 -0.04 1.67 1.88 2hpbB1 ARG 97 HG3 0.36 0.22 -0.30 -0.04 1.67 1.91 2hpbB1 ARG 97 HD2 0.13 0.07 -0.14 -0.04 3.22 3.23 2hpbB1 ARG 97 HD3 0.25 -0.07 -0.09 -0.04 3.22 3.28 2hpbB1 ALA 98 H 0.27 0.12 0.15 -0.55 8.40 8.39 2hpbB1 ALA 98 HA -0.02 0.10 0.26 -0.75 4.34 3.93 2hpbB1 ALA 98 HB3 0.10 0.01 0.12 -0.04 1.41 1.60 2hpbB1 MET 99 H -0.47 0.08 -0.19 -0.55 8.47 7.34 2hpbB1 MET 99 HA -0.39 0.23 0.78 -0.75 4.52 4.39 2hpbB1 MET 99 HB2 -1.79 -0.07 0.02 -0.04 2.15 0.28 2hpbB1 MET 99 HB3 -0.66 -0.04 0.12 -0.04 2.03 1.41 2hpbB1 MET 99 HG2 -0.57 0.20 -0.14 -0.04 2.63 2.08 2hpbB1 MET 99 HG3 -1.70 -0.08 -0.21 -0.04 2.56 0.53 2hpbB1 MET 99 HE3 -0.20 0.00 0.04 -0.04 2.10 1.90 2hpbB1 LYS 100 H -0.25 0.21 0.14 -0.55 8.42 7.96 2hpbB1 LYS 100 HA -0.20 0.13 0.45 -0.75 4.32 3.94 2hpbB1 LYS 100 HB2 -0.13 0.03 0.12 -0.04 1.87 1.85 2hpbB1 LYS 100 HB3 -0.14 -0.01 0.08 -0.04 1.79 1.68 2hpbB1 LYS 100 HG2 -0.14 0.04 0.01 -0.04 1.46 1.34 2hpbB1 LYS 100 HG3 -0.10 0.02 0.05 -0.04 1.46 1.40 2hpbB1 LYS 100 HD2 -0.06 0.03 -0.02 -0.04 1.69 1.60 2hpbB1 LYS 100 HD3 -0.07 -0.01 0.00 -0.04 1.68 1.57 2hpbB1 LYS 100 HE2 -0.06 0.02 -0.04 -0.04 2.99 2.86 2hpbB1 LYS 100 HE3 -0.09 -0.05 -0.05 -0.04 2.99 2.76 2hpbB1 GLN 101 H -0.30 0.04 -0.19 -0.55 8.47 7.48 2hpbB1 GLN 101 HA -0.07 0.12 0.34 -0.75 4.36 3.99 2hpbB1 GLN 101 HB2 -0.28 -0.03 -0.02 -0.04 2.15 1.78 2hpbB1 GLN 101 HB3 0.09 0.07 -0.04 -0.04 2.02 2.10 2hpbB1 GLN 101 HG2 -0.06 0.04 0.02 -0.04 2.40 2.36 2hpbB1 GLN 101 HG3 -0.17 -0.11 0.05 -0.04 2.39 2.12 2hpbB1 GLN 101 HE21 0.01 0.07 0.02 -0.04 6.97 7.03 2hpbB1 GLN 101 HE22 -0.25 -0.10 0.02 -0.04 7.69 7.32 2hpbB1 TRP 102 H -0.23 0.17 -0.45 -0.55 7.97 6.92 2hpbB1 TRP 102 HA -0.11 0.14 0.35 -0.75 4.62 4.24 2hpbB1 TRP 102 HB2 -0.10 0.01 0.02 -0.04 3.23 3.12 2hpbB1 TRP 102 HB3 -0.06 -0.04 0.10 -0.04 3.23 3.18 2hpbB1 TRP 102 HD1 -0.04 0.03 -0.40 -0.04 7.22 6.77 2hpbB1 TRP 102 HE1 -0.00 0.66 -0.09 -0.04 10.20 10.73 2hpbB1 TRP 102 HE3 -0.00 -0.07 0.09 -0.04 7.59 7.57 2hpbB1 TRP 102 HZ2 0.02 0.13 0.11 -0.04 7.44 7.66 2hpbB1 TRP 102 HZ3 0.01 -0.01 0.10 -0.04 7.13 7.19 2hpbB1 TRP 102 HH2 0.01 0.03 0.09 -0.04 7.19 7.28 2hpbB1 GLU 103 H -0.30 0.30 -0.54 -0.55 8.60 7.51 2hpbB1 GLU 103 HA -1.91 0.07 0.58 -0.75 4.29 2.27 2hpbB1 GLU 103 HB2 -0.55 0.12 0.19 -0.04 2.09 1.81 2hpbB1 GLU 103 HB3 -1.57 -0.00 0.12 -0.04 1.99 0.50 2hpbB1 GLU 103 HG2 -0.34 0.05 -0.08 -0.04 2.34 1.93 2hpbB1 GLU 103 HG3 -0.26 0.01 -0.06 -0.04 2.34 1.99 2hpbB1 ARG 104 H -0.37 0.57 -0.18 -0.55 8.46 7.92 2hpbB1 ARG 104 HA 0.12 0.03 0.33 -0.75 4.34 4.06 2hpbB1 ARG 104 HB2 0.04 -0.07 0.13 -0.04 1.90 1.96 2hpbB1 ARG 104 HB3 -0.10 0.16 -0.05 -0.04 1.80 1.76 2hpbB1 ARG 104 HG2 -0.05 0.13 -0.29 -0.04 1.67 1.42 2hpbB1 ARG 104 HG3 0.03 0.03 -0.44 -0.04 1.67 1.26 2hpbB1 ARG 104 HD2 0.03 -0.05 -0.07 -0.04 3.22 3.08 2hpbB1 ARG 104 HD3 0.02 -0.03 -0.03 -0.04 3.22 3.14 2hpbB1 ASP 105 H 0.17 0.12 0.14 -0.55 8.40 8.29 2hpbB1 ASP 105 HA 0.20 0.19 0.75 -0.75 4.63 5.01 2hpbB1 ASP 105 HB2 0.11 0.00 0.12 -0.04 2.71 2.90 2hpbB1 ASP 105 HB3 0.11 0.02 -0.04 -0.04 2.70 2.75 2hpbB1 LEU 106 H 0.17 0.43 0.27 -0.55 8.37 8.69 2hpbB1 LEU 106 HA 0.10 0.15 0.86 -0.75 4.35 4.70 2hpbB1 LEU 106 HB2 0.11 0.00 0.07 -0.04 1.64 1.78 2hpbB1 LEU 106 HB3 0.09 -0.12 0.06 -0.04 1.64 1.64 2hpbB1 LEU 106 HG 0.08 0.09 -0.57 -0.04 1.64 1.20 2hpbB1 LEU 106 HD13 0.05 -0.00 -0.07 -0.04 0.93 0.87 2hpbB1 LEU 106 HD23 0.08 0.01 -0.18 -0.04 0.89 0.76 2hpbB1 THR 107 H 0.10 0.10 0.16 -0.55 8.28 8.10 2hpbB1 THR 107 HA 0.14 0.36 0.84 -0.75 4.39 4.97 2hpbB1 THR 107 HB 0.07 0.13 0.17 -0.04 4.32 4.65 2hpbB1 THR 107 HG23 0.07 0.03 -0.00 -0.04 1.22 1.28 2hpbB1 LEU 108 H 0.16 0.36 0.15 -0.55 8.37 8.50 2hpbB1 LEU 108 HA 0.22 0.05 0.38 -0.75 4.35 4.25 2hpbB1 LEU 108 HB2 0.21 0.07 0.12 -0.04 1.64 2.00 2hpbB1 LEU 108 HB3 0.10 0.02 0.17 -0.04 1.64 1.88 2hpbB1 LEU 108 HG 0.12 0.02 -0.21 -0.04 1.64 1.53 2hpbB1 LEU 108 HD13 0.14 -0.01 -0.03 -0.04 0.93 0.99 2hpbB1 LEU 108 HD23 0.08 0.02 -0.11 -0.04 0.89 0.84 2hpbB1 ARG 109 H 0.08 0.15 -0.04 -0.55 8.46 8.09 2hpbB1 ARG 109 HA 0.07 0.16 0.45 -0.75 4.34 4.26 2hpbB1 ARG 109 HB2 0.04 0.02 0.15 -0.04 1.90 2.07 2hpbB1 ARG 109 HB3 0.05 -0.08 0.06 -0.04 1.80 1.78 2hpbB1 ARG 109 HG2 0.04 -0.09 -0.09 -0.04 1.67 1.49 2hpbB1 ARG 109 HG3 0.03 0.35 0.23 -0.04 1.67 2.25 2hpbB1 ARG 109 HD2 0.02 0.02 0.04 -0.04 3.22 3.26 2hpbB1 ARG 109 HD3 0.02 -0.11 0.00 -0.04 3.22 3.09 2hpbB1 GLY 110 H 0.08 0.06 -0.53 -0.55 8.43 7.50 2hpbB1 GLY 110 HA2 0.06 0.11 0.41 -0.51 4.01 4.08 2hpbB1 GLY 110 HA3 0.07 -0.04 0.32 -0.51 4.01 3.86 2hpbB1 ALA 111 H 0.07 0.54 0.02 -0.55 8.40 8.48 2hpbB1 ALA 111 HA -0.02 -0.03 0.43 -0.75 4.34 3.96 2hpbB1 ALA 111 HB3 -0.04 0.03 0.05 -0.04 1.41 1.41 2hpbB1 ILE 112 H 0.10 0.51 -0.29 -0.55 8.25 8.02 2hpbB1 ILE 112 HA -0.10 -0.02 0.55 -0.75 4.18 3.86 2hpbB1 ILE 112 HB 0.06 0.10 0.11 -0.04 1.89 2.12 2hpbB1 ILE 112 HG12 -0.07 -0.07 -0.08 -0.04 1.49 1.22 2hpbB1 ILE 112 HG13 0.25 0.03 -0.04 -0.04 1.21 1.41 2hpbB1 ILE 112 HG23 0.00 0.01 -0.18 -0.04 0.93 0.72 2hpbB1 ILE 112 HD13 0.10 -0.02 -0.14 -0.04 0.88 0.78 2hpbB1 GLN 113 H 0.05 0.55 -0.04 -0.55 8.47 8.48 2hpbB1 GLN 113 HA 0.05 0.07 0.38 -0.75 4.36 4.11 2hpbB1 GLN 113 HB2 0.05 -0.02 0.19 -0.04 2.15 2.33 2hpbB1 GLN 113 HB3 0.05 -0.08 0.09 -0.04 2.02 2.04 2hpbB1 GLN 113 HG2 0.04 0.17 0.20 -0.04 2.40 2.77 2hpbB1 GLN 113 HG3 0.03 -0.10 0.07 -0.04 2.39 2.34 2hpbB1 GLN 113 HE21 0.03 0.02 -0.07 -0.04 6.97 6.91 2hpbB1 GLN 113 HE22 0.03 0.17 0.11 -0.04 7.69 7.96 2hpbB1 VAL 114 H 0.07 0.50 -0.15 -0.55 8.24 8.11 2hpbB1 VAL 114 HA 0.16 0.16 0.77 -0.75 4.13 4.46 2hpbB1 VAL 114 HB 0.32 -0.11 0.02 -0.04 2.12 2.31 2hpbB1 VAL 114 HG13 0.10 0.05 -0.06 -0.04 0.97 1.02 2hpbB1 VAL 114 HG23 0.16 0.04 -0.24 -0.04 0.95 0.86 2hpbB1 SER 115 H 0.03 0.29 -0.57 -0.55 8.46 7.66 2hpbB1 SER 115 HA -0.14 0.13 0.33 -0.75 4.49 4.06 2hpbB1 SER 115 HB2 0.21 0.07 -0.02 -0.04 3.95 4.17 2hpbB1 SER 115 HB3 0.01 -0.15 0.17 -0.04 3.93 3.92 2hpbB1 ALA 116 H -0.26 0.57 0.03 -0.55 8.40 8.19 2hpbB1 ALA 116 HA -2.63 0.07 0.42 -0.75 4.34 1.45 2hpbB1 ALA 116 HB3 -0.39 0.00 0.09 -0.04 1.41 1.07 2hpbB1 VAL 117 H -1.75 0.37 0.31 -0.55 8.24 6.61 2hpbB1 VAL 117 HA -0.28 0.02 0.25 -0.75 4.13 3.37 2hpbB1 VAL 117 HB -0.36 -0.01 0.20 -0.04 2.12 1.92 2hpbB1 VAL 117 HG13 -0.06 -0.01 -0.09 -0.04 0.97 0.76 2hpbB1 VAL 117 HG23 -0.18 0.07 0.10 -0.04 0.95 0.90 2hpbB1 PRO 118 HA -0.02 0.04 0.39 -0.51 4.44 4.35 2hpbB1 PRO 118 HB2 0.06 0.11 -0.05 -0.04 2.28 2.35 2hpbB1 PRO 118 HB3 0.09 0.06 0.11 -0.04 2.02 2.24 2hpbB1 PRO 118 HG2 -0.07 0.07 -0.02 -0.04 2.03 1.97 2hpbB1 PRO 118 HG3 0.23 0.03 0.08 -0.04 2.03 2.33 2hpbB1 PRO 118 HD2 -0.82 0.03 0.09 -0.04 3.68 2.95 2hpbB1 PRO 118 HD3 0.01 0.12 0.17 -0.04 3.65 3.91 2hpbB1 VAL 119 H -0.18 0.24 -0.41 -0.55 8.24 7.34 2hpbB1 VAL 119 HA -0.11 0.05 0.37 -0.75 4.13 3.69 2hpbB1 VAL 119 HB -0.23 0.24 0.14 -0.04 2.12 2.23 2hpbB1 VAL 119 HG13 -0.91 -0.01 -0.12 -0.04 0.97 -0.11 2hpbB1 VAL 119 HG23 -0.06 -0.01 0.01 -0.04 0.95 0.85 2hpbB1 PHE 120 H 0.04 0.41 -0.06 -0.55 8.34 8.17 2hpbB1 PHE 120 HA -0.15 0.07 0.62 -0.75 4.62 4.41 2hpbB1 PHE 120 HB2 -0.18 0.08 0.01 -0.04 3.15 3.02 2hpbB1 PHE 120 HB3 -0.09 -0.05 -0.09 -0.04 3.06 2.79 2hpbB1 PHE 120 HD2 -0.19 0.04 -0.12 -0.04 7.28 6.96 2hpbB1 PHE 120 HE2 -0.17 -0.02 -0.21 -0.04 7.38 6.94 2hpbB1 PHE 120 HZ -0.13 0.04 -0.10 -0.04 7.32 7.09 2hpbB1 GLN 121 H -0.01 0.70 -0.02 -0.55 8.47 8.59 2hpbB1 GLN 121 HA 0.00 -0.01 0.53 -0.75 4.36 4.13 2hpbB1 GLN 121 HB2 -0.01 0.05 0.16 -0.04 2.15 2.31 2hpbB1 GLN 121 HB3 0.01 -0.02 -0.02 -0.04 2.02 1.95 2hpbB1 GLN 121 HG2 -0.03 0.00 0.12 -0.04 2.40 2.45 2hpbB1 GLN 121 HG3 -0.04 -0.03 -0.06 -0.04 2.39 2.21 2hpbB1 GLN 121 HE21 0.04 -0.00 0.00 -0.04 6.97 6.96 2hpbB1 GLN 121 HE22 -0.01 -0.10 -0.20 -0.04 7.69 7.35 2hpbB1 GLN 122 H -0.02 0.67 -0.11 -0.55 8.47 8.47 2hpbB1 GLN 122 HA 0.02 -0.02 0.41 -0.75 4.36 4.02 2hpbB1 GLN 122 HB2 0.02 0.02 0.13 -0.04 2.15 2.28 2hpbB1 GLN 122 HB3 -0.00 0.17 0.14 -0.04 2.02 2.29 2hpbB1 GLN 122 HG2 0.05 -0.00 0.00 -0.04 2.40 2.41 2hpbB1 GLN 122 HG3 0.04 0.03 -0.16 -0.04 2.39 2.26 2hpbB1 GLN 122 HE21 0.03 -0.01 0.01 -0.04 6.97 6.95 2hpbB1 GLN 122 HE22 0.03 0.05 -0.02 -0.04 7.69 7.70 2hpbB1 ILE 123 H -0.08 0.35 -0.20 -0.55 8.25 7.77 2hpbB1 ILE 123 HA 0.01 0.05 0.37 -0.75 4.18 3.86 2hpbB1 ILE 123 HB -0.11 0.04 0.11 -0.04 1.89 1.89 2hpbB1 ILE 123 HG12 0.01 -0.00 -0.06 -0.04 1.49 1.40 2hpbB1 ILE 123 HG13 -0.22 0.22 0.10 -0.04 1.21 1.26 2hpbB1 ILE 123 HG23 -0.01 -0.01 -0.15 -0.04 0.93 0.72 2hpbB1 ILE 123 HD13 -0.86 -0.03 -0.11 -0.04 0.88 -0.16 2hpbB1 ALA 124 H 0.06 0.63 -0.19 -0.55 8.40 8.35 2hpbB1 ALA 124 HA 0.14 -0.03 0.36 -0.75 4.34 4.05 2hpbB1 ALA 124 HB3 0.15 0.04 0.14 -0.04 1.41 1.70 2hpbB1 ARG 125 H 0.06 0.52 -0.17 -0.55 8.46 8.32 2hpbB1 ARG 125 HA 0.07 -0.08 0.39 -0.75 4.34 3.96 2hpbB1 ARG 125 HB2 0.04 0.16 0.15 -0.04 1.90 2.21 2hpbB1 ARG 125 HB3 0.04 -0.02 -0.04 -0.04 1.80 1.74 2hpbB1 ARG 125 HG2 0.05 -0.11 -0.02 -0.04 1.67 1.55 2hpbB1 ARG 125 HG3 0.05 0.08 -0.03 -0.04 1.67 1.73 2hpbB1 ARG 125 HD2 0.03 0.01 -0.02 -0.04 3.22 3.20 2hpbB1 ARG 125 HD3 0.03 -0.08 -0.04 -0.04 3.22 3.10 2hpbB1 GLU 126 H 0.04 0.48 -0.13 -0.55 8.60 8.45 2hpbB1 GLU 126 HA 0.03 -0.01 0.38 -0.75 4.29 3.94 2hpbB1 GLU 126 HB2 0.03 0.11 0.15 -0.04 2.09 2.34 2hpbB1 GLU 126 HB3 0.03 -0.02 0.01 -0.04 1.99 1.96 2hpbB1 GLU 126 HG2 0.02 -0.06 0.03 -0.04 2.34 2.29 2hpbB1 GLU 126 HG3 0.03 0.09 0.07 -0.04 2.34 2.49 2hpbB1 VAL 127 H 0.05 0.57 -0.14 -0.55 8.24 8.17 2hpbB1 VAL 127 HA 0.04 0.01 0.56 -0.75 4.13 3.98 2hpbB1 VAL 127 HB 0.08 0.09 0.14 -0.04 2.12 2.39 2hpbB1 VAL 127 HG13 0.07 0.01 -0.21 -0.04 0.97 0.80 2hpbB1 VAL 127 HG23 0.02 0.02 -0.10 -0.04 0.95 0.85 2hpbB1 GLY 128 H 0.07 0.65 -0.03 -0.55 8.43 8.57 2hpbB1 GLY 128 HA2 0.05 0.05 0.39 -0.51 4.01 3.99 2hpbB1 GLY 128 HA3 0.04 0.10 0.55 -0.51 4.01 4.19 2hpbB1 GLU 129 H 0.02 0.15 0.17 -0.55 8.60 8.39 2hpbB1 GLU 129 HA -0.03 0.10 0.33 -0.75 4.29 3.94 2hpbB1 GLU 129 HB2 -0.01 0.02 0.14 -0.04 2.09 2.20 2hpbB1 GLU 129 HB3 -0.02 -0.01 0.14 -0.04 1.99 2.06 2hpbB1 GLU 129 HG2 -0.06 0.01 -0.14 -0.04 2.34 2.11 2hpbB1 GLU 129 HG3 -0.11 0.03 0.03 -0.04 2.34 2.25 2hpbB1 VAL 130 H -0.01 0.12 0.04 -0.55 8.24 7.84 2hpbB1 VAL 130 HA -0.03 0.07 0.42 -0.75 4.13 3.84 2hpbB1 VAL 130 HB -0.00 0.01 0.12 -0.04 2.12 2.21 2hpbB1 VAL 130 HG13 -0.02 0.02 -0.10 -0.04 0.97 0.83 2hpbB1 VAL 130 HG23 -0.01 0.00 0.07 -0.04 0.95 0.97 2hpbB1 ARG 131 H 0.02 0.19 -0.21 -0.55 8.46 7.91 2hpbB1 ARG 131 HA 0.02 0.04 0.40 -0.75 4.34 4.04 2hpbB1 ARG 131 HB2 0.08 0.29 0.01 -0.04 1.90 2.24 2hpbB1 ARG 131 HB3 0.21 -0.02 -0.00 -0.04 1.80 1.95 2hpbB1 ARG 131 HG2 0.05 -0.05 0.03 -0.04 1.67 1.66 2hpbB1 ARG 131 HG3 0.04 -0.06 0.05 -0.04 1.67 1.66 2hpbB1 ARG 131 HD2 0.15 -0.04 0.05 -0.04 3.22 3.34 2hpbB1 ARG 131 HD3 0.07 -0.03 0.05 -0.04 3.22 3.27 2hpbB1 MET 132 H 0.04 0.48 -0.28 -0.55 8.47 8.17 2hpbB1 MET 132 HA 0.11 0.02 0.50 -0.75 4.52 4.39 2hpbB1 MET 132 HB2 0.09 0.14 0.05 -0.04 2.15 2.38 2hpbB1 MET 132 HB3 -0.03 0.01 0.10 -0.04 2.03 2.07 2hpbB1 MET 132 HG2 0.01 -0.03 -0.08 -0.04 2.63 2.49 2hpbB1 MET 132 HG3 0.05 -0.05 -0.17 -0.04 2.56 2.35 2hpbB1 MET 132 HE3 0.38 0.02 -0.02 -0.04 2.10 2.44 2hpbB1 GLN 133 H -0.04 0.80 0.01 -0.55 8.47 8.68 2hpbB1 GLN 133 HA -0.07 -0.00 0.46 -0.75 4.36 3.99 2hpbB1 GLN 133 HB2 -0.08 -0.01 0.12 -0.04 2.15 2.14 2hpbB1 GLN 133 HB3 -0.06 0.14 0.15 -0.04 2.02 2.21 2hpbB1 GLN 133 HG2 -0.05 -0.04 -0.00 -0.04 2.40 2.26 2hpbB1 GLN 133 HG3 -0.06 0.00 -0.09 -0.04 2.39 2.21 2hpbB1 GLN 133 HE21 -0.05 0.43 0.16 -0.04 6.97 7.48 2hpbB1 GLN 133 HE22 -0.04 -0.06 0.07 -0.04 7.69 7.62 2hpbB1 LYS 134 H -0.06 0.40 -0.30 -0.55 8.42 7.91 2hpbB1 LYS 134 HA -0.13 0.04 0.38 -0.75 4.32 3.86 2hpbB1 LYS 134 HB2 -0.13 0.05 0.09 -0.04 1.87 1.84 2hpbB1 LYS 134 HB3 -0.24 0.09 0.17 -0.04 1.79 1.77 2hpbB1 LYS 134 HG2 -0.42 -0.01 -0.19 -0.04 1.46 0.79 2hpbB1 LYS 134 HG3 -0.19 -0.02 0.02 -0.04 1.46 1.22 2hpbB1 LYS 134 HD2 -0.23 -0.01 -0.02 -0.04 1.69 1.39 2hpbB1 LYS 134 HD3 -0.17 -0.02 -0.02 -0.04 1.68 1.43 2hpbB1 LYS 134 HE2 -0.46 0.04 0.03 -0.04 2.99 2.56 2hpbB1 LYS 134 HE3 -0.90 0.00 -0.04 -0.04 2.99 2.01 2hpbB1 TYR 135 H -0.04 0.54 -0.05 -0.55 8.29 8.19 2hpbB1 TYR 135 HA -0.43 0.05 0.43 -0.75 4.56 3.86 2hpbB1 TYR 135 HB2 -0.24 0.09 0.16 -0.04 3.06 3.02 2hpbB1 TYR 135 HB3 -0.80 -0.06 -0.00 -0.04 2.98 2.09 2hpbB1 TYR 135 HD2 -0.20 0.19 0.07 -0.04 7.15 7.17 2hpbB1 TYR 135 HE2 -0.01 0.04 0.02 -0.04 6.85 6.87 2hpbB1 LEU 136 H -0.07 0.53 -0.21 -0.55 8.37 8.08 2hpbB1 LEU 136 HA 0.03 -0.01 0.41 -0.75 4.35 4.02 2hpbB1 LEU 136 HB2 0.01 0.13 0.05 -0.04 1.64 1.79 2hpbB1 LEU 136 HB3 0.12 -0.02 0.00 -0.04 1.64 1.71 2hpbB1 LEU 136 HG 0.09 0.23 0.01 -0.04 1.64 1.93 2hpbB1 LEU 136 HD13 0.20 -0.02 -0.13 -0.04 0.93 0.95 2hpbB1 LEU 136 HD23 0.01 -0.03 -0.10 -0.04 0.89 0.73 2hpbB1 LYS 137 H -0.07 0.42 -0.34 -0.55 8.42 7.88 2hpbB1 LYS 137 HA 0.01 0.04 0.54 -0.75 4.32 4.15 2hpbB1 LYS 137 HB2 -0.05 0.15 0.18 -0.04 1.87 2.11 2hpbB1 LYS 137 HB3 -0.08 0.14 0.18 -0.04 1.79 1.98 2hpbB1 LYS 137 HG2 -0.03 -0.01 -0.09 -0.04 1.46 1.29 2hpbB1 LYS 137 HG3 -0.02 -0.02 0.05 -0.04 1.46 1.43 2hpbB1 LYS 137 HD2 -0.04 0.01 0.00 -0.04 1.69 1.62 2hpbB1 LYS 137 HD3 -0.05 -0.02 -0.00 -0.04 1.68 1.56 2hpbB1 LYS 137 HE2 -0.02 0.00 -0.00 -0.04 2.99 2.92 2hpbB1 LYS 137 HE3 -0.03 -0.04 -0.01 -0.04 2.99 2.87 2hpbB1 LYS 138 H -0.15 0.51 -0.04 -0.55 8.42 8.18 2hpbB1 LYS 138 HA 0.00 0.01 0.40 -0.75 4.32 3.98 2hpbB1 LYS 138 HB2 -0.32 0.17 0.25 -0.04 1.87 1.93 2hpbB1 LYS 138 HB3 0.06 -0.12 0.08 -0.04 1.79 1.76 2hpbB1 LYS 138 HG2 -0.10 -0.05 0.06 -0.04 1.46 1.33 2hpbB1 LYS 138 HG3 -0.24 0.25 0.08 -0.04 1.46 1.50 2hpbB1 LYS 138 HD2 -0.56 -0.03 -0.00 -0.04 1.69 1.06 2hpbB1 LYS 138 HD3 -0.08 -0.01 0.06 -0.04 1.68 1.61 2hpbB1 LYS 138 HE2 -0.39 -0.02 -0.07 -0.04 2.99 2.46 2hpbB1 LYS 138 HE3 -0.40 -0.01 -0.03 -0.04 2.99 2.52 2hpbB1 PHE 139 H 0.04 0.43 -0.27 -0.55 8.34 7.99 2hpbB1 PHE 139 HA 0.16 0.02 0.27 -0.75 4.62 4.32 2hpbB1 PHE 139 HB2 0.16 -0.02 0.02 -0.04 3.15 3.27 2hpbB1 PHE 139 HB3 0.37 -0.06 0.01 -0.04 3.06 3.34 2hpbB1 PHE 139 HD2 0.10 -0.06 -0.18 -0.04 7.28 7.10 2hpbB1 PHE 139 HE2 0.09 -0.02 -0.16 -0.04 7.38 7.25 2hpbB1 PHE 139 HZ 0.06 -0.01 -0.19 -0.04 7.32 7.14 2hpbB1 SER 140 H 0.16 0.36 -0.58 -0.55 8.46 7.86 2hpbB1 SER 140 HA 0.09 0.07 0.27 -0.75 4.49 4.17 2hpbB1 SER 140 HB2 0.11 0.08 0.05 -0.04 3.95 4.14 2hpbB1 SER 140 HB3 0.06 -0.08 0.17 -0.04 3.93 4.03 2hpbB1 TYR 141 H 0.23 0.45 -0.11 -0.55 8.29 8.30 2hpbB1 TYR 141 HA -0.07 0.08 0.45 -0.75 4.56 4.26 2hpbB1 TYR 141 HB2 -0.01 0.03 -0.06 -0.04 3.06 2.98 2hpbB1 TYR 141 HB3 0.06 -0.06 0.12 -0.04 2.98 3.06 2hpbB1 TYR 141 HD2 -0.62 0.00 -0.14 -0.04 7.15 6.35 2hpbB1 TYR 141 HE2 -0.33 -0.01 -0.13 -0.04 6.85 6.34 2hpbB1 GLY 142 H -0.17 0.25 0.23 -0.55 8.43 8.20 2hpbB1 GLY 142 HA2 -0.08 -0.08 0.42 -0.51 4.01 3.75 2hpbB1 GLY 142 HA3 -0.07 0.14 0.52 -0.51 4.01 4.09 2hpbB1 ASN 143 H 0.02 0.43 0.35 -0.55 8.53 8.78 2hpbB1 ASN 143 HA 0.01 0.14 0.50 -0.75 4.76 4.65 2hpbB1 ASN 143 HB2 0.00 0.03 0.10 -0.04 2.88 2.97 2hpbB1 ASN 143 HB3 0.01 0.00 0.11 -0.04 2.79 2.87 2hpbB1 ASN 143 HD21 0.02 0.56 0.21 -0.04 7.03 7.79 2hpbB1 ASN 143 HD22 0.01 -0.01 0.04 -0.04 7.74 7.73 2hpbB1 GLN 144 H 0.07 0.17 -0.16 -0.55 8.47 8.00 2hpbB1 GLN 144 HA 0.06 0.05 0.16 -0.75 4.36 3.88 2hpbB1 GLN 144 HB2 0.01 0.19 -0.02 -0.04 2.15 2.29 2hpbB1 GLN 144 HB3 0.00 -0.07 0.09 -0.04 2.02 2.00 2hpbB1 GLN 144 HG2 0.08 -0.03 -0.30 -0.04 2.40 2.11 2hpbB1 GLN 144 HG3 0.06 0.14 -0.60 -0.04 2.39 1.95 2hpbB1 GLN 144 HE21 0.03 0.00 -0.00 -0.04 6.97 6.96 2hpbB1 GLN 144 HE22 0.05 -0.04 -0.18 -0.04 7.69 7.48 2hpbB1 ASN 145 H 0.01 0.03 -0.22 -0.55 8.53 7.80 2hpbB1 ASN 145 HA -0.06 0.16 0.81 -0.75 4.76 4.92 2hpbB1 ASN 145 HB2 -0.01 0.10 -0.09 -0.04 2.88 2.83 2hpbB1 ASN 145 HB3 0.00 0.09 -0.12 -0.04 2.79 2.72 2hpbB1 ASN 145 HD21 -0.01 -0.03 -0.04 -0.04 7.03 6.91 2hpbB1 ASN 145 HD22 -0.01 0.07 -0.04 -0.04 7.74 7.72 2hpbB1 ILE 146 H -0.17 0.26 0.02 -0.55 8.25 7.81 2hpbB1 ILE 146 HA -0.52 0.17 0.73 -0.75 4.18 3.81 2hpbB1 ILE 146 HB -1.31 -0.03 0.10 -0.04 1.89 0.61 2hpbB1 ILE 146 HG12 -0.23 0.08 0.00 -0.04 1.49 1.30 2hpbB1 ILE 146 HG13 -0.26 -0.02 -0.08 -0.04 1.21 0.81 2hpbB1 ILE 146 HG23 -0.61 0.01 -0.27 -0.04 0.93 0.02 2hpbB1 ILE 146 HD13 -0.22 0.01 -0.05 -0.04 0.88 0.58 2hpbB1 SER 147 H -0.07 0.08 -0.37 -0.55 8.46 7.55 2hpbB1 SER 147 HA -0.03 0.18 0.70 -0.75 4.49 4.58 2hpbB1 SER 147 HB2 -0.01 -0.03 0.08 -0.04 3.95 3.95 2hpbB1 SER 147 HB3 -0.04 0.02 0.03 -0.04 3.93 3.90 2hpbB1 GLY 148 H 0.02 0.04 0.20 -0.55 8.43 8.15 2hpbB1 GLY 148 HA2 0.03 0.04 0.31 -0.51 4.01 3.88 2hpbB1 GLY 148 HA3 0.05 0.16 0.80 -0.51 4.01 4.50 2hpbB1 GLY 149 H 0.04 0.03 0.16 -0.55 8.43 8.11 2hpbB1 GLY 149 HA2 0.05 0.08 0.33 -0.51 4.01 3.96 2hpbB1 GLY 149 HA3 0.07 0.09 0.74 -0.51 4.01 4.40 2hpbB1 ILE 150 H 0.09 0.11 0.17 -0.55 8.25 8.07 2hpbB1 ILE 150 HA 0.37 0.27 0.54 -0.75 4.18 4.60 2hpbB1 ILE 150 HB 0.08 0.02 0.03 -0.04 1.89 1.98 2hpbB1 ILE 150 HG12 0.10 0.01 -0.05 -0.04 1.49 1.51 2hpbB1 ILE 150 HG13 0.23 -0.00 -0.02 -0.04 1.21 1.37 2hpbB1 ILE 150 HG23 0.07 0.01 -0.07 -0.04 0.93 0.90 2hpbB1 ILE 150 HD13 0.05 0.01 -0.04 -0.04 0.88 0.87 2hpbB1 ASP 151 H 0.07 -0.01 0.12 -0.55 8.40 8.04 2hpbB1 ASP 151 HA -0.03 0.30 0.90 -0.75 4.63 5.04 2hpbB1 ASP 151 HB2 0.00 0.03 0.19 -0.04 2.71 2.88 2hpbB1 ASP 151 HB3 0.03 0.11 -0.04 -0.04 2.70 2.76 2hpbB1 LYS 152 H -0.08 -0.13 -0.13 -0.55 8.42 7.53 2hpbB1 LYS 152 HA -0.16 0.09 0.46 -0.75 4.32 3.96 2hpbB1 LYS 152 HB2 -0.03 -0.03 0.11 -0.04 1.87 1.88 2hpbB1 LYS 152 HB3 -0.03 0.19 0.00 -0.04 1.79 1.91 2hpbB1 LYS 152 HG2 0.02 -0.30 -0.17 -0.04 1.46 0.97 2hpbB1 LYS 152 HG3 0.02 0.41 -0.07 -0.04 1.46 1.78 2hpbB1 LYS 152 HD2 0.02 0.03 -0.09 -0.04 1.69 1.61 2hpbB1 LYS 152 HD3 0.01 0.03 -0.06 -0.04 1.68 1.61 2hpbB1 LYS 152 HE2 0.01 0.04 -0.06 -0.04 2.99 2.94 2hpbB1 LYS 152 HE3 0.02 -0.11 -0.09 -0.04 2.99 2.77 2hpbB1 PHE 153 H -0.16 -0.03 -0.15 -0.55 8.34 7.44 2hpbB1 PHE 153 HA -0.05 0.12 0.32 -0.75 4.62 4.25 2hpbB1 PHE 153 HB2 -0.09 0.02 -0.05 -0.04 3.15 2.99 2hpbB1 PHE 153 HB3 -0.06 0.18 -0.40 -0.04 3.06 2.74 2hpbB1 PHE 153 HD2 -0.18 -0.06 -0.34 -0.04 7.28 6.66 2hpbB1 PHE 153 HE2 -0.57 0.10 -0.11 -0.04 7.38 6.76 2hpbB1 PHE 153 HZ 0.01 0.04 -0.11 -0.04 7.32 7.22 2hpbB1 ALA 154 H -0.53 -0.05 -0.65 -0.55 8.40 6.63 2hpbB1 ALA 154 HA -0.10 0.34 0.90 -0.75 4.34 4.72 2hpbB1 ALA 154 HB3 -0.56 0.01 -0.10 -0.04 1.41 0.73 2hpbB1 LEU 155 H -0.16 0.05 -0.05 -0.55 8.37 7.66 2hpbB1 LEU 155 HA -0.02 0.11 0.86 -0.75 4.35 4.56 2hpbB1 LEU 155 HB2 -0.07 -0.06 -0.01 -0.04 1.64 1.46 2hpbB1 LEU 155 HB3 -0.07 -0.01 0.12 -0.04 1.64 1.64 2hpbB1 LEU 155 HG -0.03 0.10 -0.06 -0.04 1.64 1.62 2hpbB1 LEU 155 HD13 -0.02 -0.02 0.15 -0.04 0.93 1.01 2hpbB1 LEU 155 HD23 0.00 -0.01 0.03 -0.04 0.89 0.87 2hpbB1 GLU 156 H -0.04 0.35 0.25 -0.55 8.60 8.61 2hpbB1 GLU 156 HA 0.01 0.18 0.56 -0.75 4.29 4.28 2hpbB1 GLU 156 HB2 0.00 -0.00 0.20 -0.04 2.09 2.25 2hpbB1 GLU 156 HB3 -0.01 0.10 0.06 -0.04 1.99 2.10 2hpbB1 GLU 156 HG2 -0.02 -0.12 -0.05 -0.04 2.34 2.10 2hpbB1 GLU 156 HG3 -0.01 0.03 -0.05 -0.04 2.34 2.27 2hpbB1 GLY 157 H -0.00 -0.09 -0.03 -0.55 8.43 7.76 2hpbB1 GLY 157 HA2 0.04 0.14 0.68 -0.51 4.01 4.35 2hpbB1 GLY 157 HA3 0.07 -0.14 0.41 -0.51 4.01 3.84 2hpbB1 GLN 158 H 0.08 0.21 0.26 -0.55 8.47 8.49 2hpbB1 GLN 158 HA 0.04 0.18 0.61 -0.75 4.36 4.44 2hpbB1 GLN 158 HB2 0.02 0.02 0.04 -0.04 2.15 2.19 2hpbB1 GLN 158 HB3 0.02 -0.06 0.04 -0.04 2.02 1.98 2hpbB1 GLN 158 HG2 0.03 -0.01 -0.17 -0.04 2.40 2.22 2hpbB1 GLN 158 HG3 0.01 -0.09 -0.10 -0.04 2.39 2.17 2hpbB1 GLN 158 HE21 0.02 0.00 -0.09 -0.04 6.97 6.86 2hpbB1 GLN 158 HE22 0.02 -0.02 -0.18 -0.04 7.69 7.48 2hpbB1 LEU 159 H 0.10 0.34 0.21 -0.55 8.37 8.47 2hpbB1 LEU 159 HA 0.06 -0.13 0.59 -0.75 4.35 4.11 2hpbB1 LEU 159 HB2 0.11 0.14 0.03 -0.04 1.64 1.87 2hpbB1 LEU 159 HB3 0.12 0.03 0.09 -0.04 1.64 1.84 2hpbB1 LEU 159 HG 0.17 0.01 -0.27 -0.04 1.64 1.52 2hpbB1 LEU 159 HD13 0.18 -0.02 -0.05 -0.04 0.93 1.00 2hpbB1 LEU 159 HD23 -0.03 -0.02 -0.15 -0.04 0.89 0.64 2hpbB1 ARG 160 H 0.06 0.05 0.25 -0.55 8.46 8.28 2hpbB1 ARG 160 HA 0.13 0.28 0.41 -0.75 4.34 4.40 2hpbB1 ARG 160 HB2 0.02 -0.09 -0.07 -0.04 1.90 1.72 2hpbB1 ARG 160 HB3 0.04 -0.05 -0.46 -0.04 1.80 1.28 2hpbB1 ARG 160 HG2 0.04 0.20 -0.53 -0.04 1.67 1.34 2hpbB1 ARG 160 HG3 0.01 -0.01 -0.17 -0.04 1.67 1.45 2hpbB1 ARG 160 HD2 0.06 -0.01 -0.27 -0.04 3.22 2.96 2hpbB1 ARG 160 HD3 0.10 0.16 -0.35 -0.04 3.22 3.08 2hpbB1 ILE 161 H 0.20 0.85 0.23 -0.55 8.25 8.98 2hpbB1 ILE 161 HA -0.03 0.04 0.78 -0.75 4.18 4.22 2hpbB1 ILE 161 HB -0.29 -0.00 -0.28 -0.04 1.89 1.29 2hpbB1 ILE 161 HG12 -0.22 0.11 -0.02 -0.04 1.49 1.33 2hpbB1 ILE 161 HG13 -0.34 -0.08 0.12 -0.04 1.21 0.88 2hpbB1 ILE 161 HG23 -0.25 0.04 -0.17 -0.04 0.93 0.50 2hpbB1 ILE 161 HD13 -1.21 0.02 -0.17 -0.04 0.88 -0.52 2hpbB1 SER 162 H 0.03 0.09 0.12 -0.55 8.46 8.16 2hpbB1 SER 162 HA 0.31 0.46 0.79 -0.75 4.49 5.29 2hpbB1 SER 162 HB2 0.11 0.08 -0.14 -0.04 3.95 3.95 2hpbB1 SER 162 HB3 0.06 0.08 -0.20 -0.04 3.93 3.83 2hpbB1 ALA 163 H 0.30 0.32 0.10 -0.55 8.40 8.58 2hpbB1 ALA 163 HA 0.51 0.05 0.45 -0.75 4.34 4.59 2hpbB1 ALA 163 HB3 0.19 0.03 0.06 -0.04 1.41 1.64 2hpbB1 VAL 164 H 0.12 0.59 0.03 -0.55 8.24 8.43 2hpbB1 VAL 164 HA 0.07 0.04 0.40 -0.75 4.13 3.89 2hpbB1 VAL 164 HB 0.05 -0.00 0.04 -0.04 2.12 2.17 2hpbB1 VAL 164 HG13 0.03 0.02 -0.17 -0.04 0.97 0.81 2hpbB1 VAL 164 HG23 0.06 0.02 -0.08 -0.04 0.95 0.91 2hpbB1 ASN 165 H 0.05 0.06 -0.30 -0.55 8.53 7.80 2hpbB1 ASN 165 HA -0.00 0.13 0.43 -0.75 4.76 4.56 2hpbB1 ASN 165 HB2 -0.02 -0.03 0.14 -0.04 2.88 2.93 2hpbB1 ASN 165 HB3 -0.08 -0.00 0.13 -0.04 2.79 2.79 2hpbB1 ASN 165 HD21 -0.02 0.46 0.20 -0.04 7.03 7.63 2hpbB1 ASN 165 HD22 -0.01 -0.14 0.29 -0.04 7.74 7.84 2hpbB1 GLN 166 H 0.03 0.44 -0.25 -0.55 8.47 8.14 2hpbB1 GLN 166 HA -0.03 0.01 0.44 -0.75 4.36 4.02 2hpbB1 GLN 166 HB2 0.10 0.16 0.19 -0.04 2.15 2.55 2hpbB1 GLN 166 HB3 0.00 -0.03 0.02 -0.04 2.02 1.98 2hpbB1 GLN 166 HG2 -0.28 0.00 -0.07 -0.04 2.40 2.00 2hpbB1 GLN 166 HG3 -0.44 -0.01 -0.10 -0.04 2.39 1.80 2hpbB1 GLN 166 HE21 -0.60 -0.04 -0.12 -0.04 6.97 6.16 2hpbB1 GLN 166 HE22 -1.81 0.03 -0.13 -0.04 7.69 5.75 2hpbB1 VAL 167 H 0.05 0.42 -0.14 -0.55 8.24 8.03 2hpbB1 VAL 167 HA 0.00 0.03 0.28 -0.75 4.13 3.69 2hpbB1 VAL 167 HB 0.06 -0.04 -0.07 -0.04 2.12 2.03 2hpbB1 VAL 167 HG13 0.08 0.04 -0.23 -0.04 0.97 0.83 2hpbB1 VAL 167 HG23 0.03 0.02 -0.01 -0.04 0.95 0.95 2hpbB1 GLU 168 H -0.02 0.42 -0.24 -0.55 8.60 8.21 2hpbB1 GLU 168 HA -0.17 0.06 0.50 -0.75 4.29 3.93 2hpbB1 GLU 168 HB2 -0.00 0.05 0.11 -0.04 2.09 2.20 2hpbB1 GLU 168 HB3 -0.04 0.02 -0.00 -0.04 1.99 1.92 2hpbB1 GLU 168 HG2 -0.04 0.01 -0.00 -0.04 2.34 2.27 2hpbB1 GLU 168 HG3 -0.01 0.30 0.06 -0.04 2.34 2.65 2hpbB1 PHE 169 H 0.09 0.58 -0.06 -0.55 8.34 8.40 2hpbB1 PHE 169 HA -0.10 0.08 0.48 -0.75 4.62 4.32 2hpbB1 PHE 169 HB2 -0.05 0.10 0.13 -0.04 3.15 3.29 2hpbB1 PHE 169 HB3 -0.08 0.09 0.26 -0.04 3.06 3.29 2hpbB1 PHE 169 HD2 0.01 0.12 -0.02 -0.04 7.28 7.35 2hpbB1 PHE 169 HE2 -0.25 -0.02 -0.09 -0.04 7.38 6.98 2hpbB1 PHE 169 HZ -0.22 -0.08 -0.14 -0.04 7.32 6.84 2hpbB1 LEU 170 H -0.01 0.82 0.02 -0.55 8.37 8.64 2hpbB1 LEU 170 HA -0.42 -0.04 0.33 -0.75 4.35 3.47 2hpbB1 LEU 170 HB2 -0.06 0.09 0.08 -0.04 1.64 1.71 2hpbB1 LEU 170 HB3 0.07 -0.06 -0.06 -0.04 1.64 1.55 2hpbB1 LEU 170 HG 0.16 0.11 0.06 -0.04 1.64 1.92 2hpbB1 LEU 170 HD13 0.05 -0.02 -0.01 -0.04 0.93 0.91 2hpbB1 LEU 170 HD23 0.22 -0.02 -0.08 -0.04 0.89 0.97 2hpbB1 GLU 171 H -0.51 0.49 -0.41 -0.55 8.60 7.63 2hpbB1 GLU 171 HA -1.21 -0.04 0.47 -0.75 4.29 2.75 2hpbB1 GLU 171 HB2 -1.32 0.04 0.13 -0.04 2.09 0.90 2hpbB1 GLU 171 HB3 -0.52 0.18 0.14 -0.04 1.99 1.75 2hpbB1 GLU 171 HG2 -0.37 -0.02 -0.18 -0.04 2.34 1.73 2hpbB1 GLU 171 HG3 -0.85 -0.09 0.04 -0.04 2.34 1.40 2hpbB1 SER 172 H -0.37 0.55 -0.21 -0.55 8.46 7.89 2hpbB1 SER 172 HA -0.23 0.02 0.38 -0.75 4.49 3.91 2hpbB1 SER 172 HB2 -0.30 0.18 0.13 -0.04 3.95 3.92 2hpbB1 SER 172 HB3 -0.19 -0.12 -0.21 -0.04 3.93 3.37 2hpbB1 LEU 173 H -0.55 0.54 -0.15 -0.55 8.37 7.67 2hpbB1 LEU 173 HA -0.36 -0.06 0.38 -0.75 4.35 3.55 2hpbB1 LEU 173 HB2 -0.64 -0.01 0.00 -0.04 1.64 0.95 2hpbB1 LEU 173 HB3 -0.51 0.17 0.11 -0.04 1.64 1.36 2hpbB1 LEU 173 HG -0.15 0.04 -0.30 -0.04 1.64 1.19 2hpbB1 LEU 173 HD13 -0.18 -0.01 -0.02 -0.04 0.93 0.68 2hpbB1 LEU 173 HD23 0.07 -0.01 -0.12 -0.04 0.89 0.78 2hpbB1 TYR 174 H -0.56 0.60 -0.12 -0.55 8.29 7.65 2hpbB1 TYR 174 HA -0.49 -0.01 0.33 -0.75 4.56 3.64 2hpbB1 TYR 174 HB2 -1.54 -0.03 0.06 -0.04 3.06 1.51 2hpbB1 TYR 174 HB3 -0.58 0.14 0.16 -0.04 2.98 2.65 2hpbB1 TYR 174 HD2 -0.19 0.03 -0.06 -0.04 7.15 6.89 2hpbB1 TYR 174 HE2 0.02 -0.01 -0.07 -0.04 6.85 6.75 2hpbB1 LEU 175 H -0.22 0.50 -0.26 -0.55 8.37 7.84 2hpbB1 LEU 175 HA -0.37 0.05 0.43 -0.75 4.35 3.70 2hpbB1 LEU 175 HB2 -0.16 0.04 0.09 -0.04 1.64 1.58 2hpbB1 LEU 175 HB3 -0.12 -0.05 0.14 -0.04 1.64 1.56 2hpbB1 LEU 175 HG 0.09 0.04 0.04 -0.04 1.64 1.77 2hpbB1 LEU 175 HD13 -0.08 -0.01 -0.05 -0.04 0.93 0.75 2hpbB1 LEU 175 HD23 -0.01 -0.02 -0.01 -0.04 0.89 0.81 2hpbB1 ASN 176 H -0.25 0.48 -0.77 -0.55 8.53 7.45 2hpbB1 ASN 176 HA -0.16 0.01 0.32 -0.75 4.76 4.18 2hpbB1 ASN 176 HB2 -0.12 0.15 0.13 -0.04 2.88 3.00 2hpbB1 ASN 176 HB3 -0.09 -0.16 0.26 -0.04 2.79 2.75 2hpbB1 ASN 176 HD21 -0.15 -0.03 -0.04 -0.04 7.03 6.77 2hpbB1 ASN 176 HD22 -0.14 0.02 -0.14 -0.04 7.74 7.44 2hpbB1 LYS 177 H -0.17 0.62 -0.19 -0.55 8.42 8.13 2hpbB1 LYS 177 HA -0.07 0.15 0.54 -0.75 4.32 4.19 2hpbB1 LYS 177 HB2 -0.13 0.01 0.05 -0.04 1.87 1.76 2hpbB1 LYS 177 HB3 -0.07 -0.05 0.09 -0.04 1.79 1.72 2hpbB1 LYS 177 HG2 -0.06 -0.04 -0.01 -0.04 1.46 1.31 2hpbB1 LYS 177 HG3 -0.09 0.18 -0.15 -0.04 1.46 1.36 2hpbB1 LYS 177 HD2 -0.06 -0.03 -0.01 -0.04 1.69 1.55 2hpbB1 LYS 177 HD3 -0.09 -0.00 -0.01 -0.04 1.68 1.54 2hpbB1 LYS 177 HE2 -0.07 0.00 -0.02 -0.04 2.99 2.87 2hpbB1 LYS 177 HE3 -0.05 -0.02 0.00 -0.04 2.99 2.88 2hpbB1 LEU 178 H -0.15 0.07 -0.42 -0.55 8.37 7.33 2hpbB1 LEU 178 HA -0.01 0.16 0.56 -0.75 4.35 4.30 2hpbB1 LEU 178 HB2 -0.21 -0.02 -0.16 -0.04 1.64 1.20 2hpbB1 LEU 178 HB3 -0.31 -0.03 -0.16 -0.04 1.64 1.10 2hpbB1 LEU 178 HG -0.37 -0.02 -0.42 -0.04 1.64 0.78 2hpbB1 LEU 178 HD13 -0.81 -0.01 -0.13 -0.04 0.93 -0.05 2hpbB1 LEU 178 HD23 -0.27 0.04 -0.08 -0.04 0.89 0.53 2hpbB1 SER 179 H 0.31 0.16 -0.03 -0.55 8.46 8.36 2hpbB1 SER 179 HA 0.12 0.00 0.47 -0.75 4.49 4.32 2hpbB1 SER 179 HB2 0.13 0.00 0.09 -0.04 3.95 4.14 2hpbB1 SER 179 HB3 0.25 0.00 0.16 -0.04 3.93 4.30 2hpbB1 ALA 180 H 0.10 1.00 0.04 -0.55 8.40 8.99 2hpbB1 ALA 180 HA 0.16 0.08 0.41 -0.75 4.34 4.24 2hpbB1 ALA 180 HB3 0.13 0.01 -0.15 -0.04 1.41 1.36 2hpbB1 SER 181 H 0.05 0.13 0.12 -0.55 8.46 8.21 2hpbB1 SER 181 HA 0.02 0.17 0.58 -0.75 4.49 4.51 2hpbB1 SER 181 HB2 0.01 -0.02 0.14 -0.04 3.95 4.05 2hpbB1 SER 181 HB3 0.03 0.14 0.15 -0.04 3.93 4.20 2hpbB1 LYS 182 H -0.01 0.23 0.24 -0.55 8.42 8.32 2hpbB1 LYS 182 HA -0.04 0.18 0.46 -0.75 4.32 4.16 2hpbB1 LYS 182 HB2 -0.04 0.17 0.20 -0.04 1.87 2.17 2hpbB1 LYS 182 HB3 -0.02 -0.07 0.18 -0.04 1.79 1.83 2hpbB1 LYS 182 HG2 -0.03 -0.05 -0.18 -0.04 1.46 1.16 2hpbB1 LYS 182 HG3 -0.05 0.01 0.06 -0.04 1.46 1.44 2hpbB1 LYS 182 HD2 -0.06 0.11 0.04 -0.04 1.69 1.74 2hpbB1 LYS 182 HD3 -0.03 -0.03 0.02 -0.04 1.68 1.60 2hpbB1 LYS 182 HE2 -0.03 -0.05 -0.02 -0.04 2.99 2.85 2hpbB1 LYS 182 HE3 -0.06 0.00 -0.02 -0.04 2.99 2.87 2hpbB1 GLU 183 H -0.01 0.08 -0.22 -0.55 8.60 7.91 2hpbB1 GLU 183 HA -0.00 0.10 0.39 -0.75 4.29 4.02 2hpbB1 GLU 183 HB2 0.00 0.04 0.09 -0.04 2.09 2.18 2hpbB1 GLU 183 HB3 0.00 -0.04 0.06 -0.04 1.99 1.98 2hpbB1 GLU 183 HG2 0.01 0.01 -0.19 -0.04 2.34 2.13 2hpbB1 GLU 183 HG3 0.01 0.01 0.02 -0.04 2.34 2.33 2hpbB1 ASN 184 H 0.00 0.13 -0.23 -0.55 8.53 7.89 2hpbB1 ASN 184 HA 0.00 0.04 0.47 -0.75 4.76 4.52 2hpbB1 ASN 184 HB2 0.01 0.05 0.10 -0.04 2.88 3.00 2hpbB1 ASN 184 HB3 0.00 0.04 -0.00 -0.04 2.79 2.79 2hpbB1 ASN 184 HD21 0.01 0.17 -0.07 -0.04 7.03 7.10 2hpbB1 ASN 184 HD22 0.02 -0.12 0.03 -0.04 7.74 7.62 2hpbB1 GLN 185 H -0.02 0.44 -0.27 -0.55 8.47 8.07 2hpbB1 GLN 185 HA -0.04 0.01 0.42 -0.75 4.36 4.00 2hpbB1 GLN 185 HB2 -0.07 0.12 0.13 -0.04 2.15 2.30 2hpbB1 GLN 185 HB3 -0.11 0.05 0.05 -0.04 2.02 1.97 2hpbB1 GLN 185 HG2 -0.10 -0.09 -0.14 -0.04 2.40 2.03 2hpbB1 GLN 185 HG3 -0.04 0.15 -0.19 -0.04 2.39 2.27 2hpbB1 GLN 185 HE21 -0.06 0.41 -0.16 -0.04 6.97 7.12 2hpbB1 GLN 185 HE22 -0.04 -0.11 -0.62 -0.04 7.69 6.88 2hpbB1 LEU 186 H -0.01 0.59 -0.08 -0.55 8.37 8.31 2hpbB1 LEU 186 HA 0.02 0.05 0.46 -0.75 4.35 4.13 2hpbB1 LEU 186 HB2 0.00 0.07 0.17 -0.04 1.64 1.84 2hpbB1 LEU 186 HB3 0.02 -0.05 0.00 -0.04 1.64 1.57 2hpbB1 LEU 186 HG -0.03 0.13 0.06 -0.04 1.64 1.76 2hpbB1 LEU 186 HD13 -0.01 -0.04 -0.08 -0.04 0.93 0.75 2hpbB1 LEU 186 HD23 -0.01 -0.00 0.00 -0.04 0.89 0.84 2hpbB1 ILE 187 H 0.01 0.45 -0.23 -0.55 8.25 7.94 2hpbB1 ILE 187 HA 0.01 0.01 0.41 -0.75 4.18 3.85 2hpbB1 ILE 187 HB 0.01 0.13 0.15 -0.04 1.89 2.14 2hpbB1 ILE 187 HG12 -0.03 -0.10 0.05 -0.04 1.49 1.37 2hpbB1 ILE 187 HG13 -0.00 0.11 0.06 -0.04 1.21 1.34 2hpbB1 ILE 187 HG23 0.01 -0.02 -0.18 -0.04 0.93 0.70 2hpbB1 ILE 187 HD13 -0.00 -0.03 -0.07 -0.04 0.88 0.73 2hpbB1 VAL 188 H 0.03 0.49 -0.19 -0.55 8.24 8.02 2hpbB1 VAL 188 HA 0.06 -0.00 0.38 -0.75 4.13 3.81 2hpbB1 VAL 188 HB 0.02 0.10 0.09 -0.04 2.12 2.29 2hpbB1 VAL 188 HG13 0.05 -0.00 -0.16 -0.04 0.97 0.83 2hpbB1 VAL 188 HG23 0.03 0.02 -0.11 -0.04 0.95 0.86 2hpbB1 LYS 189 H 0.08 0.70 -0.10 -0.55 8.42 8.54 2hpbB1 LYS 189 HA 0.25 -0.02 0.37 -0.75 4.32 4.17 2hpbB1 LYS 189 HB2 0.12 0.08 0.15 -0.04 1.87 2.18 2hpbB1 LYS 189 HB3 0.23 -0.05 -0.05 -0.04 1.79 1.88 2hpbB1 LYS 189 HG2 0.42 -0.10 -0.07 -0.04 1.46 1.68 2hpbB1 LYS 189 HG3 0.08 0.19 -0.03 -0.04 1.46 1.66 2hpbB1 LYS 189 HD2 0.15 -0.04 -0.06 -0.04 1.69 1.71 2hpbB1 LYS 189 HD3 -0.03 -0.08 -0.19 -0.04 1.68 1.34 2hpbB1 LYS 189 HE2 -0.08 0.03 -0.21 -0.04 2.99 2.69 2hpbB1 LYS 189 HE3 -0.01 -0.08 -0.19 -0.04 2.99 2.66 2hpbB1 GLU 190 H 0.10 0.56 -0.21 -0.55 8.60 8.50 2hpbB1 GLU 190 HA 0.12 0.01 0.45 -0.75 4.29 4.12 2hpbB1 GLU 190 HB2 0.06 0.09 0.13 -0.04 2.09 2.33 2hpbB1 GLU 190 HB3 0.04 0.03 0.05 -0.04 1.99 2.07 2hpbB1 GLU 190 HG2 0.03 -0.00 0.05 -0.04 2.34 2.38 2hpbB1 GLU 190 HG3 0.05 -0.02 0.06 -0.04 2.34 2.39 2hpbB1 ALA 191 H 0.07 0.35 -0.32 -0.55 8.40 7.94 2hpbB1 ALA 191 HA 0.04 -0.06 0.44 -0.75 4.34 4.00 2hpbB1 ALA 191 HB3 0.06 0.02 0.06 -0.04 1.41 1.51 2hpbB1 LEU 192 H 0.08 0.33 -0.34 -0.55 8.37 7.90 2hpbB1 LEU 192 HA 0.01 0.14 0.59 -0.75 4.35 4.34 2hpbB1 LEU 192 HB2 0.08 0.11 0.08 -0.04 1.64 1.88 2hpbB1 LEU 192 HB3 -0.08 -0.18 0.08 -0.04 1.64 1.41 2hpbB1 LEU 192 HG 0.06 0.09 -0.11 -0.04 1.64 1.64 2hpbB1 LEU 192 HD13 0.14 -0.04 -0.15 -0.04 0.93 0.83 2hpbB1 LEU 192 HD23 0.02 -0.01 -0.15 -0.04 0.89 0.70 2hpbB1 VAL 193 H -0.06 0.30 -0.24 -0.55 8.24 7.69 2hpbB1 VAL 193 HA -0.48 0.07 0.66 -0.75 4.13 3.63 2hpbB1 VAL 193 HB -0.10 0.08 0.14 -0.04 2.12 2.20 2hpbB1 VAL 193 HG13 -0.15 -0.02 -0.16 -0.04 0.97 0.59 2hpbB1 VAL 193 HG23 -0.29 -0.00 0.07 -0.04 0.95 0.69 2hpbB1 THR 194 H -0.14 0.46 0.45 -0.55 8.28 8.50 2hpbB1 THR 194 HA -0.00 0.22 0.93 -0.75 4.39 4.78 2hpbB1 THR 194 HB 0.10 -0.08 0.07 -0.04 4.32 4.36 2hpbB1 THR 194 HG23 0.08 0.06 -0.09 -0.04 1.22 1.23 2hpbB1 GLU 195 H -0.06 0.32 0.31 -0.55 8.60 8.62 2hpbB1 GLU 195 HA -0.02 0.14 0.65 -0.75 4.29 4.31 2hpbB1 GLU 195 HB2 0.08 0.07 -0.18 -0.04 2.09 2.02 2hpbB1 GLU 195 HB3 0.10 -0.10 0.04 -0.04 1.99 2.00 2hpbB1 GLU 195 HG2 -0.03 0.03 -0.18 -0.04 2.34 2.12 2hpbB1 GLU 195 HG3 0.02 0.05 0.05 -0.04 2.34 2.42 2hpbB1 ALA 196 H -0.07 0.26 0.15 -0.55 8.40 8.20 2hpbB1 ALA 196 HA -0.11 0.18 1.09 -0.75 4.34 4.74 2hpbB1 ALA 196 HB3 -0.07 0.02 0.04 -0.04 1.41 1.35 2hpbB1 ALA 197 H -0.27 0.79 0.41 -0.55 8.40 8.79 2hpbB1 ALA 197 HA -0.19 0.17 0.67 -0.75 4.34 4.24 2hpbB1 ALA 197 HB3 -0.64 -0.01 0.11 -0.04 1.41 0.83 2hpbB1 PRO 198 HA -0.04 0.12 0.34 -0.51 4.44 4.34 2hpbB1 PRO 198 HB2 -0.02 0.03 0.01 -0.04 2.28 2.26 2hpbB1 PRO 198 HB3 -0.02 0.04 0.11 -0.04 2.02 2.11 2hpbB1 PRO 198 HG2 -0.03 0.05 0.09 -0.04 2.03 2.09 2hpbB1 PRO 198 HG3 -0.04 0.06 0.08 -0.04 2.03 2.09 2hpbB1 PRO 198 HD2 -0.09 0.07 0.21 -0.04 3.68 3.82 2hpbB1 PRO 198 HD3 -0.10 0.15 0.25 -0.04 3.65 3.91 2hpbB1 GLU 199 H -0.10 -0.02 -0.31 -0.55 8.60 7.63 2hpbB1 GLU 199 HA 0.04 0.17 0.81 -0.75 4.29 4.56 2hpbB1 GLU 199 HB2 0.10 -0.03 0.04 -0.04 2.09 2.17 2hpbB1 GLU 199 HB3 0.13 0.01 0.05 -0.04 1.99 2.14 2hpbB1 GLU 199 HG2 0.02 -0.06 -0.07 -0.04 2.34 2.19 2hpbB1 GLU 199 HG3 0.05 0.03 -0.00 -0.04 2.34 2.38 2hpbB1 TYR 200 H -0.22 0.05 -0.01 -0.55 8.29 7.55 2hpbB1 TYR 200 HA 0.05 0.35 0.85 -0.75 4.56 5.05 2hpbB1 TYR 200 HB2 0.04 0.05 0.02 -0.04 3.06 3.13 2hpbB1 TYR 200 HB3 0.03 0.05 -0.05 -0.04 2.98 2.97 2hpbB1 TYR 200 HD2 0.01 0.04 -0.27 -0.04 7.15 6.88 2hpbB1 TYR 200 HE2 -0.01 -0.00 -0.08 -0.04 6.85 6.72 2hpbB1 LEU 201 H 0.20 0.61 0.39 -0.55 8.37 9.02 2hpbB1 LEU 201 HA -0.01 0.17 1.08 -0.75 4.35 4.83 2hpbB1 LEU 201 HB2 0.06 0.02 -0.00 -0.04 1.64 1.68 2hpbB1 LEU 201 HB3 0.14 -0.06 0.18 -0.04 1.64 1.85 2hpbB1 LEU 201 HG -0.21 0.05 -0.06 -0.04 1.64 1.38 2hpbB1 LEU 201 HD13 -0.07 0.02 0.12 -0.04 0.93 0.96 2hpbB1 LEU 201 HD23 0.15 -0.01 -0.03 -0.04 0.89 0.96 2hpbB1 VAL 202 H -0.02 0.81 0.41 -0.55 8.24 8.89 2hpbB1 VAL 202 HA -0.01 0.24 1.11 -0.75 4.13 4.72 2hpbB1 VAL 202 HB 0.08 -0.10 0.18 -0.04 2.12 2.24 2hpbB1 VAL 202 HG13 0.13 0.00 -0.21 -0.04 0.97 0.85 2hpbB1 VAL 202 HG23 0.22 -0.01 -0.15 -0.04 0.95 0.96 2hpbB1 HIS 203 H -0.39 0.77 0.42 -0.55 8.41 8.66 2hpbB1 HIS 203 HA -0.37 0.26 0.77 -0.75 4.63 4.53 2hpbB1 HIS 203 HB2 -2.54 -0.10 0.18 -0.04 3.26 0.77 2hpbB1 HIS 203 HB3 -1.32 0.03 -0.02 -0.04 3.20 1.84 2hpbB1 HIS 203 HD2 -0.47 0.02 -0.18 -0.04 6.97 6.29 2hpbB1 HIS 203 HE1 0.09 -0.02 -0.17 -0.04 7.75 7.60 2hpbB1 SER 204 H -0.13 0.76 0.29 -0.55 8.46 8.83 2hpbB1 SER 204 HA -0.26 0.14 0.89 -0.75 4.49 4.51 2hpbB1 SER 204 HB2 -0.27 0.02 0.04 -0.04 3.95 3.70 2hpbB1 SER 204 HB3 -0.10 -0.01 -0.30 -0.04 3.93 3.48 2hpbB1 LYS 205 H -0.02 0.67 0.37 -0.55 8.42 8.88 2hpbB1 LYS 205 HA 0.17 0.14 0.61 -0.75 4.32 4.49 2hpbB1 LYS 205 HB2 0.04 0.06 -0.11 -0.04 1.87 1.82 2hpbB1 LYS 205 HB3 0.05 -0.09 0.02 -0.04 1.79 1.73 2hpbB1 LYS 205 HG2 0.01 -0.09 -0.12 -0.04 1.46 1.22 2hpbB1 LYS 205 HG3 0.09 0.15 -0.10 -0.04 1.46 1.56 2hpbB1 LYS 205 HD2 0.03 0.10 0.07 -0.04 1.69 1.85 2hpbB1 LYS 205 HD3 -0.03 -0.09 -0.05 -0.04 1.68 1.47 2hpbB1 LYS 205 HE2 -0.12 -0.05 0.10 -0.04 2.99 2.87 2hpbB1 LYS 205 HE3 -0.09 0.10 0.01 -0.04 2.99 2.96 2hpbB1 THR 206 H 0.23 0.20 0.12 -0.55 8.28 8.28 2hpbB1 THR 206 HA 0.49 0.22 0.74 -0.75 4.39 5.09 2hpbB1 THR 206 HB 0.21 0.02 0.10 -0.04 4.32 4.61 2hpbB1 THR 206 HG23 0.12 0.01 -0.02 -0.04 1.22 1.30 2hpbB1 GLY 207 H 0.41 0.52 0.34 -0.55 8.43 9.15 2hpbB1 GLY 207 HA2 0.25 -0.03 0.72 -0.51 4.01 4.44 2hpbB1 GLY 207 HA3 0.39 0.14 0.38 -0.51 4.01 4.41 2hpbB1 PHE 208 H 0.29 0.11 0.17 -0.55 8.34 8.36 2hpbB1 PHE 208 HA 0.15 0.33 0.86 -0.75 4.62 5.21 2hpbB1 PHE 208 HB2 0.12 0.11 -0.01 -0.04 3.15 3.33 2hpbB1 PHE 208 HB3 0.11 -0.01 0.09 -0.04 3.06 3.21 2hpbB1 PHE 208 HD2 0.07 0.14 0.02 -0.04 7.28 7.48 2hpbB1 PHE 208 HE2 0.03 0.09 -0.20 -0.04 7.38 7.26 2hpbB1 PHE 208 HZ 0.03 -0.06 -0.27 -0.04 7.32 6.97 2hpbB1 SER 209 H 0.10 0.54 0.33 -0.55 8.46 8.88 2hpbB1 SER 209 HA -0.06 0.08 0.69 -0.75 4.49 4.44 2hpbB1 SER 209 HB2 0.00 0.13 0.20 -0.04 3.95 4.25 2hpbB1 SER 209 HB3 0.10 -0.01 0.13 -0.04 3.93 4.11 2hpbB1 GLY 210 H -1.20 0.08 -0.04 -0.55 8.43 6.72 2hpbB1 GLY 210 HA2 -0.87 0.03 0.31 -0.51 4.01 2.97 2hpbB1 GLY 210 HA3 -0.30 0.23 0.87 -0.51 4.01 4.31 2hpbB1 VAL 211 H -0.01 0.18 0.14 -0.55 8.24 7.99 2hpbB1 VAL 211 HA 0.23 0.07 0.29 -0.75 4.13 3.96 2hpbB1 VAL 211 HB 0.09 0.23 0.03 -0.04 2.12 2.43 2hpbB1 VAL 211 HG13 0.23 -0.06 -0.19 -0.04 0.97 0.91 2hpbB1 VAL 211 HG23 0.05 0.03 0.06 -0.04 0.95 1.05 2hpbB1 GLY 212 H -0.01 -0.07 -0.35 -0.55 8.43 7.46 2hpbB1 GLY 212 HA2 0.01 0.02 0.23 -0.51 4.01 3.76 2hpbB1 GLY 212 HA3 0.04 0.09 0.37 -0.51 4.01 4.00 2hpbB1 THR 213 H 0.03 0.52 0.20 -0.55 8.28 8.48 2hpbB1 THR 213 HA 0.02 0.16 0.78 -0.75 4.39 4.59 2hpbB1 THR 213 HB 0.02 -0.14 0.21 -0.04 4.32 4.36 2hpbB1 THR 213 HG23 0.01 -0.01 -0.06 -0.04 1.22 1.13 2hpbB1 GLU 214 H 0.02 0.12 0.15 -0.55 8.60 8.34 2hpbB1 GLU 214 HA 0.02 0.11 0.56 -0.75 4.29 4.22 2hpbB1 GLU 214 HB2 0.01 0.01 0.13 -0.04 2.09 2.20 2hpbB1 GLU 214 HB3 0.01 0.00 0.13 -0.04 1.99 2.10 2hpbB1 GLU 214 HG2 0.01 0.02 -0.08 -0.04 2.34 2.25 2hpbB1 GLU 214 HG3 0.01 0.01 0.05 -0.04 2.34 2.37 2hpbB1 SER 215 H 0.02 0.17 0.12 -0.55 8.46 8.23 2hpbB1 SER 215 HA 0.02 0.00 0.38 -0.75 4.49 4.14 2hpbB1 SER 215 HB2 0.02 0.22 0.26 -0.04 3.95 4.41 2hpbB1 SER 215 HB3 0.01 -0.02 0.09 -0.04 3.93 3.97 2hpbB1 ASN 216 H 0.02 0.23 -1.12 -0.55 8.53 7.11 2hpbB1 ASN 216 HA 0.03 0.21 0.88 -0.75 4.76 5.13 2hpbB1 ASN 216 HB2 0.03 -0.11 0.12 -0.04 2.88 2.88 2hpbB1 ASN 216 HB3 0.04 0.03 0.04 -0.04 2.79 2.86 2hpbB1 ASN 216 HD21 0.02 -0.02 -0.06 -0.04 7.03 6.93 2hpbB1 ASN 216 HD22 0.02 0.03 -0.06 -0.04 7.74 7.69 2hpbB1 PRO 217 HA 0.04 0.19 0.47 -0.51 4.44 4.64 2hpbB1 PRO 217 HB2 0.04 -0.02 -0.14 -0.04 2.28 2.12 2hpbB1 PRO 217 HB3 0.04 -0.03 -0.08 -0.04 2.02 1.90 2hpbB1 PRO 217 HG2 0.03 0.01 0.04 -0.04 2.03 2.06 2hpbB1 PRO 217 HG3 0.03 -0.01 -0.01 -0.04 2.03 1.99 2hpbB1 PRO 217 HD2 0.04 0.07 0.18 -0.04 3.68 3.92 2hpbB1 PRO 217 HD3 0.03 0.21 -0.22 -0.04 3.65 3.62 2hpbB1 GLY 218 H 0.07 0.44 -0.06 -0.55 8.43 8.34 2hpbB1 GLY 218 HA2 0.06 0.01 0.46 -0.51 4.01 4.02 2hpbB1 GLY 218 HA3 0.08 0.37 0.37 -0.51 4.01 4.33 2hpbB1 VAL 219 H 0.10 0.08 0.26 -0.55 8.24 8.13 2hpbB1 VAL 219 HA -0.09 0.36 1.00 -0.75 4.13 4.65 2hpbB1 VAL 219 HB -0.02 0.02 -0.10 -0.04 2.12 1.98 2hpbB1 VAL 219 HG13 0.18 -0.03 -0.09 -0.04 0.97 0.99 2hpbB1 VAL 219 HG23 -0.73 0.01 -0.07 -0.04 0.95 0.12 2hpbB1 ALA 220 H -0.11 0.51 0.33 -0.55 8.40 8.58 2hpbB1 ALA 220 HA 0.30 0.23 1.04 -0.75 4.34 5.16 2hpbB1 ALA 220 HB3 0.08 -0.01 0.07 -0.04 1.41 1.51 2hpbB1 TRP 221 H 0.47 0.71 0.45 -0.55 7.97 9.05 2hpbB1 TRP 221 HA 0.29 0.35 1.17 -0.75 4.62 5.68 2hpbB1 TRP 221 HB2 0.21 -0.16 0.11 -0.04 3.23 3.35 2hpbB1 TRP 221 HB3 0.24 0.03 0.03 -0.04 3.23 3.48 2hpbB1 TRP 221 HD1 0.15 -0.12 -0.25 -0.04 7.22 6.96 2hpbB1 TRP 221 HE1 0.15 0.52 -0.17 -0.04 10.20 10.65 2hpbB1 TRP 221 HE3 0.18 0.09 -0.03 -0.04 7.59 7.79 2hpbB1 TRP 221 HZ2 0.22 0.09 -0.12 -0.04 7.44 7.59 2hpbB1 TRP 221 HZ3 0.11 -0.09 -0.18 -0.04 7.13 6.92 2hpbB1 TRP 221 HH2 0.14 -0.10 -0.49 -0.04 7.19 6.70 2hpbB1 TRP 222 H 0.81 0.59 0.32 -0.55 7.97 9.14 2hpbB1 TRP 222 HA 0.31 0.15 0.37 -0.75 4.62 4.69 2hpbB1 TRP 222 HB2 0.17 0.04 0.02 -0.04 3.23 3.42 2hpbB1 TRP 222 HB3 0.29 -0.03 0.20 -0.04 3.23 3.65 2hpbB1 TRP 222 HD1 0.17 0.01 -0.31 -0.04 7.22 7.04 2hpbB1 TRP 222 HE1 0.11 0.00 -0.19 -0.04 10.20 10.09 2hpbB1 TRP 222 HE3 -0.14 0.02 0.02 -0.04 7.59 7.45 2hpbB1 TRP 222 HZ2 0.06 0.01 -0.14 -0.04 7.44 7.32 2hpbB1 TRP 222 HZ3 -0.41 -0.08 -0.16 -0.04 7.13 6.44 2hpbB1 TRP 222 HH2 -0.15 -0.03 -0.13 -0.04 7.19 6.84 2hpbB1 VAL 223 H 0.14 0.70 0.35 -0.55 8.24 8.88 2hpbB1 VAL 223 HA -0.13 0.16 1.00 -0.75 4.13 4.40 2hpbB1 VAL 223 HB -0.04 0.09 0.26 -0.04 2.12 2.38 2hpbB1 VAL 223 HG13 0.25 -0.05 -0.05 -0.04 0.97 1.08 2hpbB1 VAL 223 HG23 -0.02 0.02 -0.06 -0.04 0.95 0.86 2hpbB1 GLY 224 H -0.75 0.62 0.41 -0.55 8.43 8.17 2hpbB1 GLY 224 HA2 -0.20 -0.04 0.30 -0.51 4.01 3.56 2hpbB1 GLY 224 HA3 -0.73 0.31 0.92 -0.51 4.01 3.99 2hpbB1 TRP 225 H -0.46 0.69 0.45 -0.55 7.97 8.10 2hpbB1 TRP 225 HA -0.03 0.24 0.68 -0.75 4.62 4.75 2hpbB1 TRP 225 HB2 -0.36 -0.06 -0.11 -0.04 3.23 2.66 2hpbB1 TRP 225 HB3 0.09 0.02 -0.02 -0.04 3.23 3.28 2hpbB1 TRP 225 HD1 -0.24 -0.01 -0.35 -0.04 7.22 6.58 2hpbB1 TRP 225 HE1 -0.16 0.02 -0.10 -0.04 10.20 9.93 2hpbB1 TRP 225 HE3 -0.07 -0.06 -0.31 -0.04 7.59 7.11 2hpbB1 TRP 225 HZ2 -0.57 0.03 -0.06 -0.04 7.44 6.80 2hpbB1 TRP 225 HZ3 -0.09 -0.02 -0.10 -0.04 7.13 6.88 2hpbB1 TRP 225 HH2 -0.12 -0.00 -0.09 -0.04 7.19 6.94 2hpbB1 VAL 226 H 0.22 0.44 0.34 -0.55 8.24 8.69 2hpbB1 VAL 226 HA 0.10 0.34 1.14 -0.75 4.13 4.96 2hpbB1 VAL 226 HB 0.16 -0.07 0.10 -0.04 2.12 2.27 2hpbB1 VAL 226 HG13 0.04 0.01 -0.26 -0.04 0.97 0.71 2hpbB1 VAL 226 HG23 0.10 -0.00 -0.17 -0.04 0.95 0.83 2hpbB1 GLU 227 H 0.18 0.65 0.37 -0.55 8.60 9.26 2hpbB1 GLU 227 HA 0.09 0.22 1.08 -0.75 4.29 4.93 2hpbB1 GLU 227 HB2 0.21 -0.07 0.25 -0.04 2.09 2.44 2hpbB1 GLU 227 HB3 0.17 0.09 0.08 -0.04 1.99 2.28 2hpbB1 GLU 227 HG2 0.17 0.01 -0.03 -0.04 2.34 2.45 2hpbB1 GLU 227 HG3 0.44 -0.07 -0.16 -0.04 2.34 2.50 2hpbB1 LYS 228 H 0.11 0.63 0.21 -0.55 8.42 8.82 2hpbB1 LYS 228 HA 0.17 0.30 1.00 -0.75 4.32 5.03 2hpbB1 LYS 228 HB2 0.15 -0.05 -0.20 -0.04 1.87 1.72 2hpbB1 LYS 228 HB3 0.21 -0.08 0.03 -0.04 1.79 1.91 2hpbB1 LYS 228 HG2 0.17 0.12 0.08 -0.04 1.46 1.79 2hpbB1 LYS 228 HG3 0.04 0.23 0.04 -0.04 1.46 1.73 2hpbB1 LYS 228 HD2 0.09 -0.05 -0.06 -0.04 1.69 1.63 2hpbB1 LYS 228 HD3 0.10 -0.11 -0.17 -0.04 1.68 1.45 2hpbB1 LYS 228 HE2 0.04 -0.02 -0.02 -0.04 2.99 2.95 2hpbB1 LYS 228 HE3 0.08 -0.10 -0.03 -0.04 2.99 2.90 2hpbB1 GLU 229 H 0.10 0.34 0.25 -0.55 8.60 8.75 2hpbB1 GLU 229 HA 0.06 0.00 0.39 -0.75 4.29 3.98 2hpbB1 GLU 229 HB2 0.07 0.00 0.03 -0.04 2.09 2.15 2hpbB1 GLU 229 HB3 0.07 0.19 0.19 -0.04 1.99 2.40 2hpbB1 GLU 229 HG2 0.04 0.04 0.19 -0.04 2.34 2.57 2hpbB1 GLU 229 HG3 0.05 0.05 0.09 -0.04 2.34 2.49 2hpbB1 THR 230 H 0.04 0.13 0.18 -0.55 8.28 8.07 2hpbB1 THR 230 HA 0.04 0.22 0.76 -0.75 4.39 4.66 2hpbB1 THR 230 HB 0.02 0.03 0.20 -0.04 4.32 4.54 2hpbB1 THR 230 HG23 0.03 -0.00 0.01 -0.04 1.22 1.21 2hpbB1 GLU 231 H 0.02 0.51 -0.26 -0.55 8.60 8.33 2hpbB1 GLU 231 HA -0.12 0.12 1.00 -0.75 4.29 4.54 2hpbB1 GLU 231 HB2 -0.04 -0.06 0.03 -0.04 2.09 1.99 2hpbB1 GLU 231 HB3 -0.03 0.15 0.09 -0.04 1.99 2.16 2hpbB1 GLU 231 HG2 -0.31 0.03 0.02 -0.04 2.34 2.04 2hpbB1 GLU 231 HG3 -0.96 0.05 -0.00 -0.04 2.34 1.39 2hpbB1 VAL 232 H -0.40 0.05 0.29 -0.55 8.24 7.63 2hpbB1 VAL 232 HA -0.25 0.35 1.02 -0.75 4.13 4.50 2hpbB1 VAL 232 HB -0.61 -0.08 0.11 -0.04 2.12 1.50 2hpbB1 VAL 232 HG13 -1.15 0.01 -0.14 -0.04 0.97 -0.36 2hpbB1 VAL 232 HG23 -0.23 0.01 -0.22 -0.04 0.95 0.48 2hpbB1 TYR 233 H -0.11 0.74 0.36 -0.55 8.29 8.73 2hpbB1 TYR 233 HA -0.22 0.38 1.20 -0.75 4.56 5.16 2hpbB1 TYR 233 HB2 -0.01 -0.04 0.22 -0.04 3.06 3.18 2hpbB1 TYR 233 HB3 0.02 0.01 -0.02 -0.04 2.98 2.95 2hpbB1 TYR 233 HD2 -0.01 0.08 -0.14 -0.04 7.15 7.03 2hpbB1 TYR 233 HE2 0.01 0.02 -0.09 -0.04 6.85 6.75 2hpbB1 PHE 234 H -0.21 0.38 0.27 -0.55 8.34 8.23 2hpbB1 PHE 234 HA 0.12 0.16 0.93 -0.75 4.62 5.08 2hpbB1 PHE 234 HB2 -0.02 -0.08 0.16 -0.04 3.15 3.18 2hpbB1 PHE 234 HB3 -0.04 0.08 0.13 -0.04 3.06 3.18 2hpbB1 PHE 234 HD2 -0.16 0.01 -0.10 -0.04 7.28 7.00 2hpbB1 PHE 234 HE2 -0.64 0.00 -0.06 -0.04 7.38 6.65 2hpbB1 PHE 234 HZ -0.46 0.03 -0.02 -0.04 7.32 6.82 2hpbB1 PHE 235 H -0.13 0.71 0.43 -0.55 8.34 8.80 2hpbB1 PHE 235 HA -0.08 0.40 1.20 -0.75 4.62 5.38 2hpbB1 PHE 235 HB2 -0.09 -0.04 0.11 -0.04 3.15 3.09 2hpbB1 PHE 235 HB3 0.00 -0.04 -0.12 -0.04 3.06 2.86 2hpbB1 PHE 235 HD2 0.07 0.06 -0.22 -0.04 7.28 7.14 2hpbB1 PHE 235 HE2 -0.83 0.02 -0.37 -0.04 7.38 6.16 2hpbB1 PHE 235 HZ -1.42 0.03 -0.25 -0.04 7.32 5.64 2hpbB1 ALA 236 H 0.10 0.42 0.36 -0.55 8.40 8.73 2hpbB1 ALA 236 HA 0.31 0.11 0.85 -0.75 4.34 4.86 2hpbB1 ALA 236 HB3 0.26 -0.02 0.08 -0.04 1.41 1.70 2hpbB1 PHE 237 H 0.69 0.63 0.39 -0.55 8.34 9.49 2hpbB1 PHE 237 HA 0.39 0.28 1.21 -0.75 4.62 5.75 2hpbB1 PHE 237 HB2 0.61 -0.09 0.13 -0.04 3.15 3.75 2hpbB1 PHE 237 HB3 0.51 0.07 0.30 -0.04 3.06 3.90 2hpbB1 PHE 237 HD2 0.23 -0.10 -0.17 -0.04 7.28 7.20 2hpbB1 PHE 237 HE2 -0.12 -0.07 -0.23 -0.04 7.38 6.92 2hpbB1 PHE 237 HZ -0.06 -0.03 -0.21 -0.04 7.32 6.98 2hpbB1 ASN 238 H -0.49 0.45 0.39 -0.55 8.53 8.33 2hpbB1 ASN 238 HA -0.41 0.39 0.44 -0.75 4.76 4.42 2hpbB1 ASN 238 HB2 -1.27 0.00 0.15 -0.04 2.88 1.73 2hpbB1 ASN 238 HB3 -1.97 0.03 0.14 -0.04 2.79 0.95 2hpbB1 ASN 238 HD21 -0.19 0.02 -0.05 -0.04 7.03 6.76 2hpbB1 ASN 238 HD22 -1.67 0.02 -0.13 -0.04 7.74 5.92 2hpbB1 MET 239 H -0.42 0.40 0.34 -0.55 8.47 8.24 2hpbB1 MET 239 HA -0.27 0.11 0.87 -0.75 4.52 4.47 2hpbB1 MET 239 HB2 0.04 0.02 -0.04 -0.04 2.15 2.12 2hpbB1 MET 239 HB3 -0.12 -0.04 -0.33 -0.04 2.03 1.50 2hpbB1 MET 239 HG2 0.08 -0.10 -0.04 -0.04 2.63 2.53 2hpbB1 MET 239 HG3 0.03 0.28 -0.38 -0.04 2.56 2.44 2hpbB1 MET 239 HE3 0.01 0.04 -0.16 -0.04 2.10 1.95 2hpbB1 ASP 240 H -0.11 0.61 0.36 -0.55 8.40 8.71 2hpbB1 ASP 240 HA -0.07 0.26 0.70 -0.75 4.63 4.76 2hpbB1 ASP 240 HB2 -0.02 -0.06 0.23 -0.04 2.71 2.82 2hpbB1 ASP 240 HB3 0.00 -0.00 0.03 -0.04 2.70 2.69 2hpbB1 ILE 241 H 0.04 0.68 0.11 -0.55 8.25 8.52 2hpbB1 ILE 241 HA 0.03 0.05 0.67 -0.75 4.18 4.18 2hpbB1 ILE 241 HB 0.03 0.12 -0.31 -0.04 1.89 1.68 2hpbB1 ILE 241 HG12 0.10 -0.11 -0.39 -0.04 1.49 1.05 2hpbB1 ILE 241 HG13 -0.01 -0.02 0.01 -0.04 1.21 1.15 2hpbB1 ILE 241 HG23 0.24 0.02 -0.42 -0.04 0.93 0.74 2hpbB1 ILE 241 HD13 -0.30 0.00 -0.20 -0.04 0.88 0.35 2hpbB1 ASP 242 H 0.04 0.11 0.16 -0.55 8.40 8.17 2hpbB1 ASP 242 HA 0.08 0.54 1.07 -0.75 4.63 5.56 2hpbB1 ASP 242 HB2 0.04 0.01 0.17 -0.04 2.71 2.89 2hpbB1 ASP 242 HB3 0.04 0.04 0.02 -0.04 2.70 2.76 2hpbB1 ASN 243 H 0.04 0.12 0.09 -0.55 8.53 8.23 2hpbB1 ASN 243 HA 0.05 0.18 0.87 -0.75 4.76 5.10 2hpbB1 ASN 243 HB2 0.02 0.10 -0.19 -0.04 2.88 2.76 2hpbB1 ASN 243 HB3 -0.00 -0.04 0.10 -0.04 2.79 2.80 2hpbB1 ASN 243 HD21 0.01 0.02 0.06 -0.04 7.03 7.08 2hpbB1 ASN 243 HD22 0.02 0.16 0.11 -0.04 7.74 8.00 2hpbB1 GLU 244 H 0.04 0.24 0.13 -0.55 8.60 8.47 2hpbB1 GLU 244 HA -0.16 0.07 0.34 -0.75 4.29 3.78 2hpbB1 GLU 244 HB2 0.02 0.02 0.12 -0.04 2.09 2.21 2hpbB1 GLU 244 HB3 -0.03 0.07 0.04 -0.04 1.99 2.02 2hpbB1 GLU 244 HG2 0.20 -0.01 0.01 -0.04 2.34 2.49 2hpbB1 GLU 244 HG3 0.18 0.00 0.06 -0.04 2.34 2.54 2hpbB1 SER 245 H -0.03 0.06 -0.30 -0.55 8.46 7.65 2hpbB1 SER 245 HA -0.06 0.09 0.43 -0.75 4.49 4.20 2hpbB1 SER 245 HB2 -0.04 0.06 0.05 -0.04 3.95 3.98 2hpbB1 SER 245 HB3 -0.03 -0.02 0.08 -0.04 3.93 3.92 2hpbB1 LYS 246 H -0.06 0.41 -0.27 -0.55 8.42 7.94 2hpbB1 LYS 246 HA -0.07 0.12 0.48 -0.75 4.32 4.09 2hpbB1 LYS 246 HB2 -0.05 0.07 0.13 -0.04 1.87 1.97 2hpbB1 LYS 246 HB3 -0.04 0.01 0.06 -0.04 1.79 1.79 2hpbB1 LYS 246 HG2 -0.02 -0.10 0.03 -0.04 1.46 1.33 2hpbB1 LYS 246 HG3 -0.01 0.04 0.05 -0.04 1.46 1.50 2hpbB1 LYS 246 HD2 -0.03 0.08 0.02 -0.04 1.69 1.72 2hpbB1 LYS 246 HD3 -0.05 0.00 -0.10 -0.04 1.68 1.50 2hpbB1 LYS 246 HE2 -0.02 -0.09 -0.06 -0.04 2.99 2.78 2hpbB1 LYS 246 HE3 -0.01 0.08 -0.01 -0.04 2.99 3.01 2hpbB1 LEU 247 H -0.17 0.30 -0.30 -0.55 8.37 7.66 2hpbB1 LEU 247 HA -0.23 -0.02 0.32 -0.75 4.35 3.66 2hpbB1 LEU 247 HB2 -0.33 0.09 0.20 -0.04 1.64 1.56 2hpbB1 LEU 247 HB3 -0.19 0.08 0.11 -0.04 1.64 1.59 2hpbB1 LEU 247 HG -0.21 -0.02 -0.07 -0.04 1.64 1.30 2hpbB1 LEU 247 HD13 -0.83 -0.02 0.02 -0.04 0.93 0.06 2hpbB1 LEU 247 HD23 -0.19 -0.01 0.01 -0.04 0.89 0.66 2hpbB1 PRO 248 HA -0.20 0.02 0.30 -0.51 4.44 4.05 2hpbB1 PRO 248 HB2 -0.14 0.06 -0.04 -0.04 2.28 2.11 2hpbB1 PRO 248 HB3 -0.16 0.01 0.10 -0.04 2.02 1.93 2hpbB1 PRO 248 HG2 -0.11 0.08 0.04 -0.04 2.03 2.00 2hpbB1 PRO 248 HG3 -0.12 0.00 0.05 -0.04 2.03 1.92 2hpbB1 PRO 248 HD2 -0.12 0.33 -0.25 -0.04 3.68 3.60 2hpbB1 PRO 248 HD3 -0.14 0.11 0.02 -0.04 3.65 3.60 2hpbB1 LEU 249 H -0.14 0.71 -0.52 -0.55 8.37 7.87 2hpbB1 LEU 249 HA -0.22 -0.04 0.53 -0.75 4.35 3.87 2hpbB1 LEU 249 HB2 -0.07 0.20 0.06 -0.04 1.64 1.78 2hpbB1 LEU 249 HB3 -0.11 -0.08 0.04 -0.04 1.64 1.45 2hpbB1 LEU 249 HG -0.10 0.07 0.06 -0.04 1.64 1.63 2hpbB1 LEU 249 HD13 -0.05 -0.01 0.02 -0.04 0.93 0.86 2hpbB1 LEU 249 HD23 -0.13 -0.02 -0.02 -0.04 0.89 0.68 2hpbB1 ARG 250 H -0.17 0.78 -0.06 -0.55 8.46 8.46 2hpbB1 ARG 250 HA -0.23 0.03 0.28 -0.75 4.34 3.66 2hpbB1 ARG 250 HB2 0.22 -0.01 -0.21 -0.04 1.90 1.85 2hpbB1 ARG 250 HB3 0.05 0.00 0.03 -0.04 1.80 1.84 2hpbB1 ARG 250 HG2 -0.17 0.05 -0.01 -0.04 1.67 1.50 2hpbB1 ARG 250 HG3 -0.16 -0.02 -0.26 -0.04 1.67 1.19 2hpbB1 ARG 250 HD2 0.15 0.20 0.10 -0.04 3.22 3.63 2hpbB1 ARG 250 HD3 0.00 -0.06 0.04 -0.04 3.22 3.17 2hpbB1 LYS 251 H -0.41 0.23 -0.39 -0.55 8.42 7.29 2hpbB1 LYS 251 HA -0.91 0.17 0.83 -0.75 4.32 3.66 2hpbB1 LYS 251 HB2 -0.59 0.03 0.06 -0.04 1.87 1.33 2hpbB1 LYS 251 HB3 -0.71 -0.00 -0.09 -0.04 1.79 0.94 2hpbB1 LYS 251 HG2 -1.93 -0.01 -0.04 -0.04 1.46 -0.57 2hpbB1 LYS 251 HG3 -2.45 0.03 -0.08 -0.04 1.46 -1.09 2hpbB1 LYS 251 HD2 -0.80 0.00 -0.08 -0.04 1.69 0.77 2hpbB1 LYS 251 HD3 -0.54 -0.01 -0.05 -0.04 1.68 1.03 2hpbB1 LYS 251 HE2 -0.37 -0.01 -0.04 -0.04 2.99 2.53 2hpbB1 LYS 251 HE3 -0.48 -0.00 -0.06 -0.04 2.99 2.40 2hpbB1 SER 252 H -0.38 0.36 0.07 -0.55 8.46 7.96 2hpbB1 SER 252 HA -0.31 0.04 0.31 -0.75 4.49 3.77 2hpbB1 SER 252 HB2 -0.21 -0.02 0.03 -0.04 3.95 3.71 2hpbB1 SER 252 HB3 -0.24 0.04 0.07 -0.04 3.93 3.76 2hpbB1 ILE 253 H -0.47 0.47 -0.13 -0.55 8.25 7.57 2hpbB1 ILE 253 HA -0.37 0.07 0.56 -0.75 4.18 3.68 2hpbB1 ILE 253 HB -0.71 0.13 0.03 -0.04 1.89 1.30 2hpbB1 ILE 253 HG12 -0.33 0.08 -0.02 -0.04 1.49 1.18 2hpbB1 ILE 253 HG13 -0.31 -0.01 0.06 -0.04 1.21 0.90 2hpbB1 ILE 253 HG23 -0.79 -0.04 -0.23 -0.04 0.93 -0.18 2hpbB1 ILE 253 HD13 -0.24 -0.02 -0.08 -0.04 0.88 0.50 2hpbB1 PRO 254 HA -1.13 -0.01 0.31 -0.51 4.44 3.09 2hpbB1 PRO 254 HB2 -0.09 0.09 -0.12 -0.04 2.28 2.12 2hpbB1 PRO 254 HB3 -0.82 -0.03 0.00 -0.04 2.02 1.13 2hpbB1 PRO 254 HG2 -0.02 0.27 0.07 -0.04 2.03 2.30 2hpbB1 PRO 254 HG3 -0.65 -0.04 0.02 -0.04 2.03 1.32 2hpbB1 PRO 254 HD2 -0.58 0.09 -0.61 -0.04 3.68 2.55 2hpbB1 PRO 254 HD3 -1.21 0.13 -0.06 -0.04 3.65 2.47 2hpbB1 THR 255 H -0.31 0.57 -0.32 -0.55 8.28 7.68 2hpbB1 THR 255 HA -0.15 -0.00 0.35 -0.75 4.39 3.84 2hpbB1 THR 255 HB -0.26 0.04 0.09 -0.04 4.32 4.15 2hpbB1 THR 255 HG23 -0.14 -0.02 -0.18 -0.04 1.22 0.84 2hpbB1 LYS 256 H -0.29 0.52 -0.22 -0.55 8.42 7.88 2hpbB1 LYS 256 HA -0.18 0.01 0.43 -0.75 4.32 3.83 2hpbB1 LYS 256 HB2 -0.24 0.15 0.19 -0.04 1.87 1.93 2hpbB1 LYS 256 HB3 -0.15 -0.07 0.03 -0.04 1.79 1.55 2hpbB1 LYS 256 HG2 -0.19 0.18 0.13 -0.04 1.46 1.53 2hpbB1 LYS 256 HG3 -0.15 -0.04 0.04 -0.04 1.46 1.27 2hpbB1 LYS 256 HD2 -0.11 -0.02 0.01 -0.04 1.69 1.53 2hpbB1 LYS 256 HD3 -0.13 -0.04 -0.03 -0.04 1.68 1.43 2hpbB1 LYS 256 HE2 -0.09 -0.01 -0.03 -0.04 2.99 2.82 2hpbB1 LYS 256 HE3 -0.12 -0.01 -0.04 -0.04 2.99 2.78 2hpbB1 ILE 257 H -0.44 0.54 -0.14 -0.55 8.25 7.66 2hpbB1 ILE 257 HA -0.35 0.02 0.50 -0.75 4.18 3.60 2hpbB1 ILE 257 HB -0.98 0.10 0.13 -0.04 1.89 1.09 2hpbB1 ILE 257 HG12 -0.45 -0.06 0.03 -0.04 1.49 0.97 2hpbB1 ILE 257 HG13 -0.45 0.17 0.01 -0.04 1.21 0.90 2hpbB1 ILE 257 HG23 -1.27 -0.02 -0.16 -0.04 0.93 -0.57 2hpbB1 ILE 257 HD13 -0.38 -0.02 -0.10 -0.04 0.88 0.34 2hpbB1 MET 258 H -0.40 0.76 -0.10 -0.55 8.47 8.18 2hpbB1 MET 258 HA -0.23 0.02 0.40 -0.75 4.52 3.95 2hpbB1 MET 258 HB2 -0.29 0.16 0.07 -0.04 2.15 2.06 2hpbB1 MET 258 HB3 -0.26 -0.12 -0.04 -0.04 2.03 1.56 2hpbB1 MET 258 HG2 -0.17 -0.04 -0.05 -0.04 2.63 2.33 2hpbB1 MET 258 HG3 -0.16 -0.00 -0.06 -0.04 2.56 2.29 2hpbB1 MET 258 HE3 -0.78 0.01 -0.22 -0.04 2.10 1.07 2hpbB1 GLU 259 H -0.21 0.60 -0.15 -0.55 8.60 8.29 2hpbB1 GLU 259 HA -0.15 0.28 0.67 -0.75 4.29 4.34 2hpbB1 GLU 259 HB2 -0.14 0.02 0.16 -0.04 2.09 2.09 2hpbB1 GLU 259 HB3 -0.10 -0.03 -0.02 -0.04 1.99 1.80 2hpbB1 GLU 259 HG2 -0.11 0.13 -0.14 -0.04 2.34 2.18 2hpbB1 GLU 259 HG3 -0.14 0.05 -0.09 -0.04 2.34 2.12 2hpbB1 SER 260 H -0.13 0.59 -0.12 -0.55 8.46 8.25 2hpbB1 SER 260 HA -0.04 0.08 0.48 -0.75 4.49 4.25 2hpbB1 SER 260 HB2 0.00 -0.07 0.10 -0.04 3.95 3.94 2hpbB1 SER 260 HB3 -0.05 0.05 0.13 -0.04 3.93 4.02 2hpbB1 GLU 261 H -0.10 0.34 -0.25 -0.55 8.60 8.04 2hpbB1 GLU 261 HA 0.04 0.09 0.72 -0.75 4.29 4.38 2hpbB1 GLU 261 HB2 -0.14 -0.03 0.09 -0.04 2.09 1.97 2hpbB1 GLU 261 HB3 -0.05 -0.05 0.06 -0.04 1.99 1.91 2hpbB1 GLU 261 HG2 -0.01 0.24 -0.02 -0.04 2.34 2.51 2hpbB1 GLU 261 HG3 0.08 -0.09 -0.07 -0.04 2.34 2.22 2hpbB1 GLY 262 H -0.09 0.36 -0.63 -0.55 8.43 7.52 2hpbB1 GLY 262 HA2 -0.07 0.10 0.22 -0.51 4.01 3.75 2hpbB1 GLY 262 HA3 -0.05 0.04 0.46 -0.51 4.01 3.95 2hpbB1 ILE 263 H -0.21 0.34 -0.15 -0.55 8.25 7.68 2hpbB1 ILE 263 HA -0.23 0.06 0.33 -0.75 4.18 3.59 2hpbB1 ILE 263 HB -0.34 0.01 0.07 -0.04 1.89 1.60 2hpbB1 ILE 263 HG12 -1.31 -0.03 -0.10 -0.04 1.49 0.01 2hpbB1 ILE 263 HG13 -0.43 0.08 -0.23 -0.04 1.21 0.58 2hpbB1 ILE 263 HG23 -0.30 -0.02 -0.19 -0.04 0.93 0.37 2hpbB1 ILE 263 HD13 -0.56 -0.02 -0.07 -0.04 0.88 0.18 2hpbB1 ILE 264 H -0.28 0.32 -0.14 -0.55 8.25 7.60 2hpbB1 ILE 264 HA -1.02 0.17 0.81 -0.75 4.18 3.39 2hpbB1 ILE 264 HB -0.43 -0.03 -0.08 -0.04 1.89 1.31 2hpbB1 ILE 264 HG12 -0.26 -0.06 -0.30 -0.04 1.49 0.83 2hpbB1 ILE 264 HG13 -0.19 0.04 -0.23 -0.04 1.21 0.78 2hpbB1 ILE 264 HG23 -0.59 -0.00 -0.26 -0.04 0.93 0.03 2hpbB1 ILE 264 HD13 -0.13 0.01 -0.10 -0.04 0.88 0.61 2hpbB1 GLY 265 H -0.10 0.12 -0.05 -0.55 8.43 7.86 2hpbB1 GLY 265 HA2 0.09 0.02 0.12 -0.51 4.01 3.74 2hpbB1 GLY 265 HA3 -0.02 0.21 0.50 -0.51 4.01 4.19