============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TYR 8 0.840 -20.555 70.260 8.408 -99.200 -91.000 HIS 9 0.900 -23.967 70.086 1.499 -99.200 -91.000 TYR 21 0.840 -18.783 51.355 -5.776 -99.200 -91.000 HIS 26 0.900 -6.632 59.074 2.031 -99.200 -91.000 HIS 33 0.900 -3.265 50.005 2.408 -99.200 -91.000 HIS 50 0.900 -19.240 66.487 20.729 -99.200 -91.000 TYR 52 0.840 -27.646 68.133 13.499 -99.200 -91.000 PHE 56 1.000 -13.684 67.125 15.416 -99.200 -91.000 HIS 62 0.900 -15.129 64.220 6.240 -99.200 -91.000 HIS 66 0.900 -17.690 57.818 14.813 -99.200 -91.000 PHE 92 1.000 -13.269 55.673 17.376 -99.200 -91.000 PHE 124 1.000 -12.943 54.403 8.517 -99.200 -91.000 PHE 126 1.000 -14.884 62.052 14.858 -99.200 -91.000 TRP 131 1.040 -8.309 58.139 6.334 -99.200 -91.000 TRP6 131 1.020 -7.630 56.702 4.579 -99.200 -91.000 TYR 138 0.840 -22.176 50.290 -2.477 -99.200 -91.000 TYR 143 0.840 -2.955 51.392 6.122 -99.200 -91.000 TYR 146 0.840 -3.839 46.958 12.977 -99.200 -91.000 PHE 151 1.000 -19.445 41.083 13.458 -99.200 -91.000 PHE 175 1.000 -14.703 45.685 28.297 -99.200 -91.000 HIS 176 0.900 -9.853 52.740 26.520 -99.200 -91.000 HIS 188 0.900 -18.751 49.425 45.923 -99.200 -91.000 TYR 190 0.840 -21.554 59.532 38.704 -99.200 -91.000 PHE 231 1.000 -26.933 48.645 34.141 -99.200 -91.000 PHE 264 1.000 -16.441 69.551 22.440 -99.200 -91.000 HIS 267 0.900 -25.863 71.286 29.107 -99.200 -91.000 PHE 286 1.000 -10.718 65.739 37.867 -99.200 -91.000 TYR 301 0.840 -13.698 66.421 28.251 -99.200 -91.000 HIS 319 0.900 -11.611 78.128 33.751 -99.200 -91.000 PHE 322 1.000 -3.581 68.027 38.566 -99.200 -91.000 TRP 326 1.040 -0.760 65.570 43.073 -99.200 -91.000 TRP6 326 1.020 0.050 65.347 45.289 -99.200 -91.000 TYR 342 0.840 -10.447 47.769 25.219 -99.200 -91.000 HIS 345 0.900 -10.940 38.686 24.886 -99.200 -91.000 TRP 352 1.040 -19.552 31.774 22.846 -99.200 -91.000 TRP6 352 1.020 -20.042 29.497 23.264 -99.200 -91.000 TYR 357 0.840 -25.759 42.931 30.686 -99.200 -91.000 TYR 376 0.840 -26.325 63.079 12.136 -99.200 -91.000 PHE 379 1.000 -27.766 61.013 19.806 -99.200 -91.000 PHE 387 1.000 -32.654 58.259 16.270 -99.200 -91.000 HIS 392 0.900 -26.794 49.005 0.190 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2dphB1 ALA 1 HA -0.04 -0.01 0.15 -0.75 4.34 3.68 2dphB1 ALA 1 HB3 0.04 -0.11 0.10 -0.04 1.41 1.40 2dphB1 GLY 2 H 0.13 -0.13 0.04 -0.55 8.43 7.92 2dphB1 GLY 2 HA2 0.09 -0.01 0.30 -0.51 4.01 3.88 2dphB1 GLY 2 HA3 0.10 0.19 0.79 -0.51 4.01 4.58 2dphB1 ASN 3 H 0.10 0.45 0.11 -0.55 8.53 8.64 2dphB1 ASN 3 HA 0.24 0.08 0.69 -0.75 4.76 5.01 2dphB1 ASN 3 HB2 0.09 0.01 -0.20 -0.04 2.88 2.75 2dphB1 ASN 3 HB3 0.07 0.11 -0.02 -0.04 2.79 2.91 2dphB1 ASN 3 HD21 0.04 0.42 0.05 -0.04 7.03 7.49 2dphB1 ASN 3 HD22 0.01 0.04 -0.03 -0.04 7.74 7.72 2dphB1 LYS 4 H 0.07 0.17 0.10 -0.55 8.42 8.20 2dphB1 LYS 4 HA 0.03 0.20 0.52 -0.75 4.32 4.32 2dphB1 LYS 4 HB2 0.01 0.01 0.06 -0.04 1.87 1.91 2dphB1 LYS 4 HB3 -0.03 -0.02 0.07 -0.04 1.79 1.77 2dphB1 LYS 4 HG2 -0.01 0.00 -0.22 -0.04 1.46 1.19 2dphB1 LYS 4 HG3 0.01 -0.02 -0.26 -0.04 1.46 1.15 2dphB1 LYS 4 HD2 -0.00 0.03 -0.11 -0.04 1.69 1.56 2dphB1 LYS 4 HD3 -0.00 0.02 -0.05 -0.04 1.68 1.61 2dphB1 LYS 4 HE2 -0.05 0.01 -0.05 -0.04 2.99 2.86 2dphB1 LYS 4 HE3 -0.03 -0.03 -0.16 -0.04 2.99 2.73 2dphB1 SER 5 H 0.02 0.58 0.43 -0.55 8.46 8.94 2dphB1 SER 5 HA -0.01 0.20 1.04 -0.75 4.49 4.96 2dphB1 SER 5 HB2 0.02 0.00 0.00 -0.04 3.95 3.93 2dphB1 SER 5 HB3 0.00 0.02 -0.03 -0.04 3.93 3.87 2dphB1 VAL 6 H 0.00 0.71 0.32 -0.55 8.24 8.72 2dphB1 VAL 6 HA 0.00 0.08 0.78 -0.75 4.13 4.23 2dphB1 VAL 6 HB 0.02 -0.03 0.24 -0.04 2.12 2.31 2dphB1 VAL 6 HG13 -0.06 -0.03 -0.15 -0.04 0.97 0.69 2dphB1 VAL 6 HG23 0.02 0.03 0.00 -0.04 0.95 0.96 2dphB1 VAL 7 H 0.04 0.51 0.21 -0.55 8.24 8.45 2dphB1 VAL 7 HA 0.03 0.19 0.82 -0.75 4.13 4.42 2dphB1 VAL 7 HB 0.11 0.09 0.13 -0.04 2.12 2.41 2dphB1 VAL 7 HG13 -0.16 0.01 -0.25 -0.04 0.97 0.53 2dphB1 VAL 7 HG23 0.03 0.01 -0.21 -0.04 0.95 0.74 2dphB1 TYR 8 H 0.14 0.72 0.26 -0.55 8.29 8.87 2dphB1 TYR 8 HA 0.02 0.07 0.76 -0.75 4.56 4.66 2dphB1 TYR 8 HB2 0.06 -0.02 0.09 -0.04 3.06 3.15 2dphB1 TYR 8 HB3 0.06 -0.00 0.22 -0.04 2.98 3.21 2dphB1 TYR 8 HD2 0.05 -0.02 -0.17 -0.04 7.15 6.97 2dphB1 TYR 8 HE2 0.05 0.08 -0.20 -0.04 6.85 6.74 2dphB1 HIS 9 H -0.31 0.53 0.46 -0.55 8.41 8.54 2dphB1 HIS 9 HA -0.21 0.07 0.98 -0.75 4.63 4.71 2dphB1 HIS 9 HB2 -0.15 0.10 0.00 -0.04 3.26 3.18 2dphB1 HIS 9 HB3 -0.13 -0.02 0.04 -0.04 3.20 3.04 2dphB1 HIS 9 HD2 -0.04 0.06 -0.16 -0.04 6.97 6.78 2dphB1 HIS 9 HE1 -0.01 -0.01 -0.05 -0.04 7.75 7.64 2dphB1 GLY 10 H -0.75 0.28 0.34 -0.55 8.43 7.75 2dphB1 GLY 10 HA2 -0.39 0.05 0.28 -0.51 4.01 3.44 2dphB1 GLY 10 HA3 -0.19 0.13 0.53 -0.51 4.01 3.97 2dphB1 THR 11 H -0.00 0.14 0.12 -0.55 8.28 7.99 2dphB1 THR 11 HA 0.06 0.11 0.39 -0.75 4.39 4.20 2dphB1 THR 11 HB -0.01 -0.04 0.13 -0.04 4.32 4.35 2dphB1 THR 11 HG23 -0.03 0.02 -0.17 -0.04 1.22 0.99 2dphB1 ARG 12 H -0.30 0.65 0.41 -0.55 8.46 8.67 2dphB1 ARG 12 HA -1.10 -0.05 0.37 -0.75 4.34 2.80 2dphB1 ARG 12 HB2 -0.19 0.10 -0.12 -0.04 1.90 1.66 2dphB1 ARG 12 HB3 -0.21 -0.06 0.22 -0.04 1.80 1.70 2dphB1 ARG 12 HG2 -1.07 -0.05 0.02 -0.04 1.67 0.53 2dphB1 ARG 12 HG3 -0.36 0.06 -0.01 -0.04 1.67 1.32 2dphB1 ARG 12 HD2 -0.08 0.01 -0.03 -0.04 3.22 3.08 2dphB1 ARG 12 HD3 -0.05 -0.04 0.02 -0.04 3.22 3.11 2dphB1 ASP 13 H -0.10 0.58 -0.29 -0.55 8.40 8.03 2dphB1 ASP 13 HA -0.03 0.16 0.86 -0.75 4.63 4.87 2dphB1 ASP 13 HB2 -0.07 0.15 -0.27 -0.04 2.71 2.47 2dphB1 ASP 13 HB3 -0.13 -0.14 -0.09 -0.04 2.70 2.30 2dphB1 LEU 14 H 0.03 0.26 0.07 -0.55 8.37 8.18 2dphB1 LEU 14 HA 0.04 0.27 1.07 -0.75 4.35 4.97 2dphB1 LEU 14 HB2 -0.06 -0.04 0.05 -0.04 1.64 1.55 2dphB1 LEU 14 HB3 -0.10 -0.01 -0.06 -0.04 1.64 1.43 2dphB1 LEU 14 HG 0.16 -0.02 -0.19 -0.04 1.64 1.55 2dphB1 LEU 14 HD13 -0.97 -0.02 -0.08 -0.04 0.93 -0.17 2dphB1 LEU 14 HD23 0.09 0.03 -0.14 -0.04 0.89 0.82 2dphB1 ARG 15 H 0.11 0.65 0.29 -0.55 8.46 8.96 2dphB1 ARG 15 HA -0.01 0.14 1.01 -0.75 4.34 4.73 2dphB1 ARG 15 HB2 0.09 0.01 0.03 -0.04 1.90 2.00 2dphB1 ARG 15 HB3 -0.05 0.04 -0.08 -0.04 1.80 1.67 2dphB1 ARG 15 HG2 -0.11 0.05 -0.12 -0.04 1.67 1.45 2dphB1 ARG 15 HG3 -0.09 -0.08 -0.53 -0.04 1.67 0.92 2dphB1 ARG 15 HD2 -1.10 -0.00 -0.10 -0.04 3.22 1.98 2dphB1 ARG 15 HD3 -0.31 0.01 -0.07 -0.04 3.22 2.80 2dphB1 VAL 16 H -0.01 0.17 0.17 -0.55 8.24 8.02 2dphB1 VAL 16 HA 0.01 0.36 0.87 -0.75 4.13 4.62 2dphB1 VAL 16 HB -0.01 -0.03 0.18 -0.04 2.12 2.22 2dphB1 VAL 16 HG13 -0.01 -0.03 -0.25 -0.04 0.97 0.64 2dphB1 VAL 16 HG23 -0.02 0.01 0.05 -0.04 0.95 0.95 2dphB1 GLU 17 H 0.03 0.56 0.42 -0.55 8.60 9.06 2dphB1 GLU 17 HA 0.02 0.12 0.77 -0.75 4.29 4.44 2dphB1 GLU 17 HB2 0.04 0.01 0.02 -0.04 2.09 2.12 2dphB1 GLU 17 HB3 0.03 0.04 -0.19 -0.04 1.99 1.83 2dphB1 GLU 17 HG2 0.08 0.13 -0.04 -0.04 2.34 2.48 2dphB1 GLU 17 HG3 0.07 0.00 -0.17 -0.04 2.34 2.20 2dphB1 THR 18 H 0.03 0.17 0.14 -0.55 8.28 8.07 2dphB1 THR 18 HA 0.04 0.14 0.54 -0.75 4.39 4.36 2dphB1 THR 18 HB 0.03 0.02 0.13 -0.04 4.32 4.46 2dphB1 THR 18 HG23 0.06 -0.00 -0.16 -0.04 1.22 1.08 2dphB1 VAL 19 H 0.05 0.69 0.34 -0.55 8.24 8.76 2dphB1 VAL 19 HA 0.04 0.17 0.84 -0.75 4.13 4.42 2dphB1 VAL 19 HB 0.03 0.01 0.14 -0.04 2.12 2.27 2dphB1 VAL 19 HG13 0.03 0.01 -0.12 -0.04 0.97 0.85 2dphB1 VAL 19 HG23 0.03 0.11 0.00 -0.04 0.95 1.05 2dphB1 PRO 20 HA 0.07 -0.06 0.43 -0.51 4.44 4.37 2dphB1 PRO 20 HB2 0.04 0.05 -0.06 -0.04 2.28 2.27 2dphB1 PRO 20 HB3 0.05 0.03 0.08 -0.04 2.02 2.14 2dphB1 PRO 20 HG2 0.03 0.04 0.07 -0.04 2.03 2.12 2dphB1 PRO 20 HG3 0.03 0.04 0.08 -0.04 2.03 2.14 2dphB1 PRO 20 HD2 0.03 0.11 0.18 -0.04 3.68 3.96 2dphB1 PRO 20 HD3 0.03 0.15 0.22 -0.04 3.65 4.01 2dphB1 TYR 21 H 0.16 -0.02 0.14 -0.55 8.29 8.03 2dphB1 TYR 21 HA 0.00 0.13 0.32 -0.75 4.56 4.26 2dphB1 TYR 21 HB2 -0.06 -0.12 0.07 -0.04 3.06 2.91 2dphB1 TYR 21 HB3 -0.05 -0.02 0.03 -0.04 2.98 2.90 2dphB1 TYR 21 HD2 -0.17 0.08 -0.21 -0.04 7.15 6.81 2dphB1 TYR 21 HE2 -0.83 -0.03 -0.07 -0.04 6.85 5.88 2dphB1 PRO 22 HA -0.01 0.01 0.39 -0.51 4.44 4.32 2dphB1 PRO 22 HB2 -0.06 0.03 -0.11 -0.04 2.28 2.09 2dphB1 PRO 22 HB3 -0.03 0.02 0.05 -0.04 2.02 2.01 2dphB1 PRO 22 HG2 -0.54 0.00 -0.05 -0.04 2.03 1.41 2dphB1 PRO 22 HG3 -0.16 0.00 -0.24 -0.04 2.03 1.60 2dphB1 PRO 22 HD2 -1.04 0.07 0.11 -0.04 3.68 2.79 2dphB1 PRO 22 HD3 -0.18 0.21 0.11 -0.04 3.65 3.74 2dphB1 LYS 23 H 0.04 0.10 0.18 -0.55 8.42 8.19 2dphB1 LYS 23 HA 0.09 0.20 0.75 -0.75 4.32 4.59 2dphB1 LYS 23 HB2 0.04 -0.03 0.03 -0.04 1.87 1.87 2dphB1 LYS 23 HB3 0.04 -0.08 0.03 -0.04 1.79 1.74 2dphB1 LYS 23 HG2 0.08 0.07 -0.09 -0.04 1.46 1.48 2dphB1 LYS 23 HG3 0.06 0.10 -0.04 -0.04 1.46 1.54 2dphB1 LYS 23 HD2 0.03 -0.04 -0.05 -0.04 1.69 1.58 2dphB1 LYS 23 HD3 0.03 -0.02 -0.04 -0.04 1.68 1.61 2dphB1 LYS 23 HE2 0.03 0.02 -0.03 -0.04 2.99 2.96 2dphB1 LYS 23 HE3 0.02 -0.02 -0.03 -0.04 2.99 2.91 2dphB1 LEU 24 H 0.04 0.17 0.00 -0.55 8.37 8.04 2dphB1 LEU 24 HA 0.05 0.17 0.55 -0.75 4.35 4.36 2dphB1 LEU 24 HB2 0.01 -0.03 0.13 -0.04 1.64 1.71 2dphB1 LEU 24 HB3 -0.01 0.13 0.18 -0.04 1.64 1.90 2dphB1 LEU 24 HG 0.04 0.00 -0.19 -0.04 1.64 1.46 2dphB1 LEU 24 HD13 0.01 -0.01 -0.21 -0.04 0.93 0.68 2dphB1 LEU 24 HD23 0.03 0.01 -0.44 -0.04 0.89 0.45 2dphB1 GLU 25 H 0.07 0.57 -0.32 -0.55 8.60 8.37 2dphB1 GLU 25 HA 0.04 0.21 0.85 -0.75 4.29 4.64 2dphB1 GLU 25 HB2 0.01 -0.05 -0.16 -0.04 2.09 1.85 2dphB1 GLU 25 HB3 0.02 -0.00 -0.36 -0.04 1.99 1.60 2dphB1 GLU 25 HG2 0.03 -0.11 -0.23 -0.04 2.34 2.00 2dphB1 GLU 25 HG3 0.02 0.01 -0.20 -0.04 2.34 2.13 2dphB1 HIS 26 H 0.08 0.59 0.19 -0.55 8.41 8.72 2dphB1 HIS 26 HA -0.13 0.10 0.68 -0.75 4.63 4.53 2dphB1 HIS 26 HB2 -0.03 0.03 -0.12 -0.04 3.26 3.10 2dphB1 HIS 26 HB3 0.01 -0.02 0.03 -0.04 3.20 3.18 2dphB1 HIS 26 HD2 -0.16 -0.01 -0.09 -0.04 6.97 6.67 2dphB1 HIS 26 HE1 -1.18 0.09 -0.04 -0.04 7.75 6.58 2dphB1 ASN 27 H -0.49 0.20 0.13 -0.55 8.53 7.82 2dphB1 ASN 27 HA -0.23 0.04 0.32 -0.75 4.76 4.14 2dphB1 ASN 27 HB2 -0.15 0.13 -0.06 -0.04 2.88 2.76 2dphB1 ASN 27 HB3 -0.13 0.01 0.20 -0.04 2.79 2.84 2dphB1 ASN 27 HD21 -0.17 0.04 -0.03 -0.04 7.03 6.84 2dphB1 ASN 27 HD22 -0.08 0.01 -0.03 -0.04 7.74 7.60 2dphB1 ASN 28 H -0.09 0.02 -0.24 -0.55 8.53 7.68 2dphB1 ASN 28 HA -0.03 -0.03 0.17 -0.75 4.76 4.12 2dphB1 ASN 28 HB2 -0.04 -0.05 -0.19 -0.04 2.88 2.56 2dphB1 ASN 28 HB3 -0.03 0.14 0.13 -0.04 2.79 2.99 2dphB1 ASN 28 HD21 -0.01 0.01 -0.02 -0.04 7.03 6.96 2dphB1 ASN 28 HD22 -0.02 -0.03 -0.02 -0.04 7.74 7.63 2dphB1 ARG 29 H -0.01 0.16 -0.33 -0.55 8.46 7.73 2dphB1 ARG 29 HA 0.01 0.13 0.70 -0.75 4.34 4.42 2dphB1 ARG 29 HB2 0.05 -0.01 -0.02 -0.04 1.90 1.87 2dphB1 ARG 29 HB3 0.03 -0.03 0.07 -0.04 1.80 1.83 2dphB1 ARG 29 HG2 0.01 0.04 -0.13 -0.04 1.67 1.56 2dphB1 ARG 29 HG3 0.00 0.18 -0.35 -0.04 1.67 1.46 2dphB1 ARG 29 HD2 0.04 -0.06 -0.01 -0.04 3.22 3.15 2dphB1 ARG 29 HD3 0.03 0.02 -0.02 -0.04 3.22 3.22 2dphB1 LYS 30 H 0.00 0.14 0.10 -0.55 8.42 8.11 2dphB1 LYS 30 HA -0.01 0.16 0.63 -0.75 4.32 4.35 2dphB1 LYS 30 HB2 -0.00 0.01 0.09 -0.04 1.87 1.93 2dphB1 LYS 30 HB3 -0.01 -0.04 0.07 -0.04 1.79 1.77 2dphB1 LYS 30 HG2 -0.03 -0.04 -0.17 -0.04 1.46 1.17 2dphB1 LYS 30 HG3 -0.01 0.07 0.03 -0.04 1.46 1.50 2dphB1 LYS 30 HD2 -0.00 0.01 -0.01 -0.04 1.69 1.65 2dphB1 LYS 30 HD3 -0.01 -0.05 -0.04 -0.04 1.68 1.55 2dphB1 LYS 30 HE2 -0.01 -0.01 -0.02 -0.04 2.99 2.91 2dphB1 LYS 30 HE3 -0.00 0.01 -0.02 -0.04 2.99 2.94 2dphB1 LEU 31 H -0.05 0.87 0.33 -0.55 8.37 8.97 2dphB1 LEU 31 HA -0.32 0.12 0.95 -0.75 4.35 4.35 2dphB1 LEU 31 HB2 -0.15 -0.01 0.04 -0.04 1.64 1.48 2dphB1 LEU 31 HB3 -0.61 -0.11 0.03 -0.04 1.64 0.91 2dphB1 LEU 31 HG 0.02 0.07 -0.12 -0.04 1.64 1.58 2dphB1 LEU 31 HD13 0.22 0.00 -0.31 -0.04 0.93 0.80 2dphB1 LEU 31 HD23 0.13 0.03 -0.13 -0.04 0.89 0.88 2dphB1 GLU 32 H -0.22 0.28 0.09 -0.55 8.60 8.19 2dphB1 GLU 32 HA -0.08 0.20 0.83 -0.75 4.29 4.49 2dphB1 GLU 32 HB2 -0.04 0.11 0.10 -0.04 2.09 2.22 2dphB1 GLU 32 HB3 -0.02 -0.15 0.17 -0.04 1.99 1.95 2dphB1 GLU 32 HG2 -0.04 0.06 -0.08 -0.04 2.34 2.25 2dphB1 GLU 32 HG3 -0.01 0.09 0.04 -0.04 2.34 2.42 2dphB1 HIS 33 H -0.67 0.06 -0.11 -0.55 8.41 7.14 2dphB1 HIS 33 HA 0.00 0.42 0.67 -0.75 4.63 4.96 2dphB1 HIS 33 HB2 0.00 -0.10 0.20 -0.04 3.26 3.33 2dphB1 HIS 33 HB3 0.02 0.10 0.12 -0.04 3.20 3.40 2dphB1 HIS 33 HD2 -0.01 0.06 0.05 -0.04 6.97 7.02 2dphB1 HIS 33 HE1 -0.60 0.10 -0.03 -0.04 7.75 7.17 2dphB1 ALA 34 H -0.17 0.17 -0.44 -0.55 8.40 7.41 2dphB1 ALA 34 HA 0.06 0.15 0.68 -0.75 4.34 4.48 2dphB1 ALA 34 HB3 -0.01 0.03 -0.06 -0.04 1.41 1.34 2dphB1 VAL 35 H 0.05 0.60 0.31 -0.55 8.24 8.65 2dphB1 VAL 35 HA 0.03 0.15 0.86 -0.75 4.13 4.42 2dphB1 VAL 35 HB 0.03 0.14 0.10 -0.04 2.12 2.35 2dphB1 VAL 35 HG13 0.03 -0.03 -0.10 -0.04 0.97 0.83 2dphB1 VAL 35 HG23 0.03 -0.01 -0.11 -0.04 0.95 0.81 2dphB1 ILE 36 H 0.04 0.40 0.19 -0.55 8.25 8.34 2dphB1 ILE 36 HA 0.04 0.25 0.89 -0.75 4.18 4.61 2dphB1 ILE 36 HB 0.07 -0.10 0.05 -0.04 1.89 1.88 2dphB1 ILE 36 HG12 0.05 -0.12 -0.30 -0.04 1.49 1.08 2dphB1 ILE 36 HG13 0.07 0.15 -0.17 -0.04 1.21 1.22 2dphB1 ILE 36 HG23 -0.05 0.01 -0.19 -0.04 0.93 0.66 2dphB1 ILE 36 HD13 0.01 0.02 -0.33 -0.04 0.88 0.54 2dphB1 LEU 37 H 0.04 0.68 0.24 -0.55 8.37 8.79 2dphB1 LEU 37 HA 0.05 0.22 0.97 -0.75 4.35 4.83 2dphB1 LEU 37 HB2 -0.01 -0.00 -0.09 -0.04 1.64 1.51 2dphB1 LEU 37 HB3 -0.00 -0.04 -0.23 -0.04 1.64 1.34 2dphB1 LEU 37 HG -0.01 0.01 -0.31 -0.04 1.64 1.30 2dphB1 LEU 37 HD13 -0.06 -0.01 -0.30 -0.04 0.93 0.52 2dphB1 LEU 37 HD23 -0.00 -0.00 -0.42 -0.04 0.89 0.43 2dphB1 LYS 38 H 0.07 0.68 0.31 -0.55 8.42 8.92 2dphB1 LYS 38 HA -0.06 0.24 0.94 -0.75 4.32 4.69 2dphB1 LYS 38 HB2 0.18 -0.01 0.11 -0.04 1.87 2.11 2dphB1 LYS 38 HB3 -0.02 -0.05 0.19 -0.04 1.79 1.88 2dphB1 LYS 38 HG2 -0.45 0.06 -0.22 -0.04 1.46 0.82 2dphB1 LYS 38 HG3 -0.62 0.05 0.05 -0.04 1.46 0.90 2dphB1 LYS 38 HD2 -0.07 -0.01 -0.00 -0.04 1.69 1.57 2dphB1 LYS 38 HD3 -0.15 -0.05 -0.04 -0.04 1.68 1.40 2dphB1 LYS 38 HE2 -0.83 0.02 -0.04 -0.04 2.99 2.10 2dphB1 LYS 38 HE3 -0.43 0.01 -0.00 -0.04 2.99 2.53 2dphB1 VAL 39 H -0.11 0.71 0.16 -0.55 8.24 8.44 2dphB1 VAL 39 HA -0.02 -0.05 0.32 -0.75 4.13 3.63 2dphB1 VAL 39 HB -0.05 0.11 0.10 -0.04 2.12 2.24 2dphB1 VAL 39 HG13 -0.04 0.01 -0.24 -0.04 0.97 0.66 2dphB1 VAL 39 HG23 -0.05 -0.01 -0.32 -0.04 0.95 0.52 2dphB1 VAL 40 H -0.00 0.40 0.56 -0.55 8.24 8.64 2dphB1 VAL 40 HA 0.02 0.02 0.67 -0.75 4.13 4.08 2dphB1 VAL 40 HB 0.02 0.03 -0.03 -0.04 2.12 2.11 2dphB1 VAL 40 HG13 0.01 -0.02 -0.17 -0.04 0.97 0.75 2dphB1 VAL 40 HG23 0.01 -0.00 -0.06 -0.04 0.95 0.85 2dphB1 SER 41 H -0.00 0.46 0.33 -0.55 8.46 8.70 2dphB1 SER 41 HA -0.02 0.33 0.89 -0.75 4.49 4.94 2dphB1 SER 41 HB2 -0.02 -0.03 -0.03 -0.04 3.95 3.83 2dphB1 SER 41 HB3 -0.01 0.01 -0.15 -0.04 3.93 3.74 2dphB1 THR 42 H -0.04 0.51 0.24 -0.55 8.28 8.44 2dphB1 THR 42 HA -0.06 0.38 0.90 -0.75 4.39 4.85 2dphB1 THR 42 HB -0.05 0.08 -0.22 -0.04 4.32 4.09 2dphB1 THR 42 HG23 -0.05 -0.00 0.08 -0.04 1.22 1.20 2dphB1 ASN 43 H -0.10 0.30 0.25 -0.55 8.53 8.43 2dphB1 ASN 43 HA -0.10 0.14 0.79 -0.75 4.76 4.83 2dphB1 ASN 43 HB2 -0.17 -0.14 -0.02 -0.04 2.88 2.51 2dphB1 ASN 43 HB3 -0.15 0.17 0.13 -0.04 2.79 2.90 2dphB1 ASN 43 HD21 -0.04 0.39 -0.18 -0.04 7.03 7.16 2dphB1 ASN 43 HD22 -0.08 -0.17 -0.03 -0.04 7.74 7.43 2dphB1 ILE 44 H -0.21 0.69 0.32 -0.55 8.25 8.50 2dphB1 ILE 44 HA -0.33 0.05 0.88 -0.75 4.18 4.02 2dphB1 ILE 44 HB -0.41 0.02 0.13 -0.04 1.89 1.58 2dphB1 ILE 44 HG12 -0.34 -0.00 -0.05 -0.04 1.49 1.06 2dphB1 ILE 44 HG13 -0.19 0.01 -0.19 -0.04 1.21 0.80 2dphB1 ILE 44 HG23 -0.98 -0.01 -0.10 -0.04 0.93 -0.20 2dphB1 ILE 44 HD13 -0.30 -0.01 -0.09 -0.04 0.88 0.44 2dphB1 CYS 45 H -0.30 0.11 0.19 -0.55 8.50 7.95 2dphB1 CYS 45 HA -0.23 0.32 0.97 -0.75 4.58 4.88 2dphB1 CYS 45 HB2 -0.29 0.11 -0.09 -0.04 2.97 2.66 2dphB1 CYS 45 HB3 -0.05 -0.14 0.09 -0.04 2.97 2.82 2dphB1 GLY 46 H 0.05 0.23 0.19 -0.55 8.43 8.35 2dphB1 GLY 46 HA2 0.21 0.16 0.53 -0.51 4.01 4.40 2dphB1 GLY 46 HA3 0.05 0.13 0.36 -0.51 4.01 4.04 2dphB1 SER 47 H 0.08 0.02 -0.26 -0.55 8.46 7.75 2dphB1 SER 47 HA 0.24 0.17 0.63 -0.75 4.49 4.79 2dphB1 SER 47 HB2 0.33 -0.08 0.02 -0.04 3.95 4.18 2dphB1 SER 47 HB3 0.59 0.12 -0.03 -0.04 3.93 4.56 2dphB1 ASP 48 H 0.06 0.03 -0.14 -0.55 8.40 7.80 2dphB1 ASP 48 HA 0.06 0.14 0.54 -0.75 4.63 4.62 2dphB1 ASP 48 HB2 -0.11 0.19 0.19 -0.04 2.71 2.94 2dphB1 ASP 48 HB3 0.29 0.04 0.11 -0.04 2.70 3.10 2dphB1 GLN 49 H 0.06 0.25 -0.26 -0.55 8.47 7.98 2dphB1 GLN 49 HA 0.31 0.04 0.44 -0.75 4.36 4.39 2dphB1 GLN 49 HB2 0.21 0.01 0.07 -0.04 2.15 2.39 2dphB1 GLN 49 HB3 -0.03 0.12 0.14 -0.04 2.02 2.21 2dphB1 GLN 49 HG2 0.01 0.03 -0.15 -0.04 2.40 2.25 2dphB1 GLN 49 HG3 0.20 -0.02 0.05 -0.04 2.39 2.58 2dphB1 GLN 49 HE21 -0.27 0.07 0.02 -0.04 6.97 6.74 2dphB1 GLN 49 HE22 -0.12 -0.01 -0.00 -0.04 7.69 7.51 2dphB1 HIS 50 H -0.04 0.27 -0.32 -0.55 8.41 7.78 2dphB1 HIS 50 HA 0.14 0.07 0.46 -0.75 4.63 4.55 2dphB1 HIS 50 HB2 0.24 0.20 0.10 -0.04 3.26 3.76 2dphB1 HIS 50 HB3 0.43 -0.01 -0.12 -0.04 3.20 3.45 2dphB1 HIS 50 HD2 0.17 -0.07 0.08 -0.04 6.97 7.11 2dphB1 HIS 50 HE1 -0.41 -0.06 -0.00 -0.04 7.75 7.24 2dphB1 ILE 51 H 0.27 0.29 -0.27 -0.55 8.25 7.99 2dphB1 ILE 51 HA 0.21 0.22 0.59 -0.75 4.18 4.45 2dphB1 ILE 51 HB 0.15 0.09 0.21 -0.04 1.89 2.30 2dphB1 ILE 51 HG12 0.23 0.11 -0.06 -0.04 1.49 1.73 2dphB1 ILE 51 HG13 0.21 -0.07 0.03 -0.04 1.21 1.33 2dphB1 ILE 51 HG23 -0.16 0.00 -0.09 -0.04 0.93 0.64 2dphB1 ILE 51 HD13 -0.16 -0.03 0.04 -0.04 0.88 0.68 2dphB1 TYR 52 H 0.38 0.53 0.01 -0.55 8.29 8.65 2dphB1 TYR 52 HA 0.21 0.01 0.43 -0.75 4.56 4.46 2dphB1 TYR 52 HB2 0.30 -0.02 0.08 -0.04 3.06 3.39 2dphB1 TYR 52 HB3 0.25 0.07 0.18 -0.04 2.98 3.44 2dphB1 TYR 52 HD2 0.05 0.02 -0.05 -0.04 7.15 7.13 2dphB1 TYR 52 HE2 0.04 0.03 -0.08 -0.04 6.85 6.80 2dphB1 ARG 53 H 0.26 0.54 -0.21 -0.55 8.46 8.50 2dphB1 ARG 53 HA -0.01 0.08 0.62 -0.75 4.34 4.28 2dphB1 ARG 53 HB2 0.17 0.01 0.11 -0.04 1.90 2.16 2dphB1 ARG 53 HB3 0.10 -0.00 0.09 -0.04 1.80 1.95 2dphB1 ARG 53 HG2 0.12 -0.00 0.04 -0.04 1.67 1.78 2dphB1 ARG 53 HG3 0.23 0.06 0.06 -0.04 1.67 1.98 2dphB1 ARG 53 HD2 0.08 -0.05 -0.04 -0.04 3.22 3.17 2dphB1 ARG 53 HD3 0.07 0.00 0.02 -0.04 3.22 3.28 2dphB1 GLY 54 H 0.18 0.29 -0.58 -0.55 8.43 7.77 2dphB1 GLY 54 HA2 0.16 0.07 0.26 -0.51 4.01 3.99 2dphB1 GLY 54 HA3 0.11 0.06 0.53 -0.51 4.01 4.20 2dphB1 ARG 55 H 0.23 0.60 0.08 -0.55 8.46 8.82 2dphB1 ARG 55 HA 0.18 0.14 0.73 -0.75 4.34 4.64 2dphB1 ARG 55 HB2 0.34 -0.03 0.06 -0.04 1.90 2.24 2dphB1 ARG 55 HB3 0.47 -0.08 0.07 -0.04 1.80 2.22 2dphB1 ARG 55 HG2 0.15 0.05 -0.31 -0.04 1.67 1.52 2dphB1 ARG 55 HG3 0.12 -0.05 -0.05 -0.04 1.67 1.65 2dphB1 ARG 55 HD2 0.14 0.03 -0.13 -0.04 3.22 3.22 2dphB1 ARG 55 HD3 0.10 0.07 -0.07 -0.04 3.22 3.28 2dphB1 PHE 56 H 0.31 0.27 -0.14 -0.55 8.34 8.23 2dphB1 PHE 56 HA 0.06 0.17 0.68 -0.75 4.62 4.78 2dphB1 PHE 56 HB2 0.26 -0.05 -0.19 -0.04 3.15 3.13 2dphB1 PHE 56 HB3 0.22 -0.08 -0.13 -0.04 3.06 3.03 2dphB1 PHE 56 HD2 0.07 -0.04 -0.26 -0.04 7.28 7.01 2dphB1 PHE 56 HE2 0.04 0.11 -0.03 -0.04 7.38 7.47 2dphB1 PHE 56 HZ -0.03 0.01 -0.04 -0.04 7.32 7.21 2dphB1 ILE 57 H -0.39 0.17 0.01 -0.55 8.25 7.49 2dphB1 ILE 57 HA -0.04 0.08 0.41 -0.75 4.18 3.87 2dphB1 ILE 57 HB -0.18 -0.01 0.08 -0.04 1.89 1.74 2dphB1 ILE 57 HG12 -0.10 -0.01 -0.07 -0.04 1.49 1.26 2dphB1 ILE 57 HG13 -0.06 0.01 -0.04 -0.04 1.21 1.08 2dphB1 ILE 57 HG23 -0.03 -0.00 -0.19 -0.04 0.93 0.67 2dphB1 ILE 57 HD13 0.03 0.01 -0.17 -0.04 0.88 0.71 2dphB1 VAL 58 H -0.18 0.21 0.19 -0.55 8.24 7.91 2dphB1 VAL 58 HA -0.07 0.20 0.50 -0.75 4.13 4.01 2dphB1 VAL 58 HB -0.29 -0.04 -0.02 -0.04 2.12 1.73 2dphB1 VAL 58 HG13 0.10 0.05 -0.33 -0.04 0.97 0.75 2dphB1 VAL 58 HG23 -0.29 0.02 -0.12 -0.04 0.95 0.52 2dphB1 PRO 59 HA 0.06 0.06 0.50 -0.51 4.44 4.55 2dphB1 PRO 59 HB2 0.07 0.06 -0.11 -0.04 2.28 2.27 2dphB1 PRO 59 HB3 0.04 0.04 0.07 -0.04 2.02 2.13 2dphB1 PRO 59 HG2 0.00 -0.00 0.04 -0.04 2.03 2.03 2dphB1 PRO 59 HG3 -0.01 0.07 0.04 -0.04 2.03 2.08 2dphB1 PRO 59 HD2 -0.20 0.01 0.12 -0.04 3.68 3.57 2dphB1 PRO 59 HD3 -0.11 0.19 0.14 -0.04 3.65 3.83 2dphB1 LYS 60 H 0.10 0.09 0.15 -0.55 8.42 8.20 2dphB1 LYS 60 HA 0.19 0.08 0.46 -0.75 4.32 4.30 2dphB1 LYS 60 HB2 0.03 -0.05 0.14 -0.04 1.87 1.96 2dphB1 LYS 60 HB3 -0.03 0.05 0.10 -0.04 1.79 1.88 2dphB1 LYS 60 HG2 0.01 0.09 0.07 -0.04 1.46 1.59 2dphB1 LYS 60 HG3 0.09 0.01 -0.04 -0.04 1.46 1.48 2dphB1 LYS 60 HD2 0.08 -0.11 0.14 -0.04 1.69 1.76 2dphB1 LYS 60 HD3 0.05 -0.00 0.06 -0.04 1.68 1.75 2dphB1 LYS 60 HE2 0.18 0.05 -0.00 -0.04 2.99 3.18 2dphB1 LYS 60 HE3 0.08 -0.02 0.02 -0.04 2.99 3.03 2dphB1 GLY 61 H -0.11 0.91 0.39 -0.55 8.43 9.07 2dphB1 GLY 61 HA2 -0.21 -0.01 0.30 -0.51 4.01 3.58 2dphB1 GLY 61 HA3 -0.04 0.08 0.63 -0.51 4.01 4.17 2dphB1 HIS 62 H 0.22 0.33 -0.00 -0.55 8.41 8.41 2dphB1 HIS 62 HA 0.05 0.06 0.66 -0.75 4.63 4.64 2dphB1 HIS 62 HB2 0.07 0.16 0.01 -0.04 3.26 3.46 2dphB1 HIS 62 HB3 0.08 -0.03 0.01 -0.04 3.20 3.21 2dphB1 HIS 62 HD2 0.06 0.07 -0.33 -0.04 6.97 6.73 2dphB1 HIS 62 HE1 0.14 -0.10 -0.14 -0.04 7.75 7.60 2dphB1 VAL 63 H -0.36 0.10 0.22 -0.55 8.24 7.66 2dphB1 VAL 63 HA -0.03 0.30 0.86 -0.75 4.13 4.51 2dphB1 VAL 63 HB -0.10 -0.18 0.23 -0.04 2.12 2.03 2dphB1 VAL 63 HG13 -0.01 0.04 -0.12 -0.04 0.97 0.84 2dphB1 VAL 63 HG23 -0.03 0.03 -0.02 -0.04 0.95 0.89 2dphB1 LEU 64 H 0.03 0.54 0.34 -0.55 8.37 8.72 2dphB1 LEU 64 HA 0.08 0.17 0.72 -0.75 4.35 4.56 2dphB1 LEU 64 HB2 0.07 0.07 0.11 -0.04 1.64 1.85 2dphB1 LEU 64 HB3 0.13 -0.10 0.10 -0.04 1.64 1.74 2dphB1 LEU 64 HG 0.09 0.02 0.09 -0.04 1.64 1.79 2dphB1 LEU 64 HD13 0.16 0.04 -0.14 -0.04 0.93 0.95 2dphB1 LEU 64 HD23 0.11 -0.01 -0.05 -0.04 0.89 0.89 2dphB1 GLY 65 H 0.05 0.19 0.13 -0.55 8.43 8.25 2dphB1 GLY 65 HA2 -0.08 0.02 0.41 -0.51 4.01 3.85 2dphB1 GLY 65 HA3 -0.01 0.12 0.69 -0.51 4.01 4.30 2dphB1 HIS 66 H -0.39 0.11 0.11 -0.55 8.41 7.69 2dphB1 HIS 66 HA 0.10 0.23 0.75 -0.75 4.63 4.96 2dphB1 HIS 66 HB2 0.39 0.03 0.24 -0.04 3.26 3.88 2dphB1 HIS 66 HB3 0.19 0.38 -0.16 -0.04 3.20 3.57 2dphB1 HIS 66 HD2 -0.29 -0.02 -0.11 -0.04 6.97 6.51 2dphB1 HIS 66 HE1 -0.15 -0.06 -0.05 -0.04 7.75 7.45 2dphB1 GLU 67 H -0.15 0.08 -0.05 -0.55 8.60 7.93 2dphB1 GLU 67 HA 0.01 0.26 0.82 -0.75 4.29 4.62 2dphB1 GLU 67 HB2 -0.17 -0.11 0.23 -0.04 2.09 2.00 2dphB1 GLU 67 HB3 -0.08 0.15 0.15 -0.04 1.99 2.16 2dphB1 GLU 67 HG2 -0.12 0.06 -0.14 -0.04 2.34 2.10 2dphB1 GLU 67 HG3 -0.56 -0.15 -0.26 -0.04 2.34 1.33 2dphB1 ILE 68 H -0.03 0.34 -0.11 -0.55 8.25 7.90 2dphB1 ILE 68 HA -0.06 0.23 0.61 -0.75 4.18 4.21 2dphB1 ILE 68 HB -0.18 0.03 -0.02 -0.04 1.89 1.68 2dphB1 ILE 68 HG12 -0.14 0.09 -0.16 -0.04 1.49 1.24 2dphB1 ILE 68 HG13 -0.12 -0.31 -0.34 -0.04 1.21 0.40 2dphB1 ILE 68 HG23 -0.11 0.01 -0.29 -0.04 0.93 0.50 2dphB1 ILE 68 HD13 -0.48 0.05 -0.17 -0.04 0.88 0.24 2dphB1 THR 69 H -0.02 0.76 0.46 -0.55 8.28 8.93 2dphB1 THR 69 HA 0.01 0.23 0.85 -0.75 4.39 4.73 2dphB1 THR 69 HB 0.04 -0.14 0.24 -0.04 4.32 4.42 2dphB1 THR 69 HG23 0.19 0.02 -0.05 -0.04 1.22 1.34 2dphB1 GLY 70 H -0.01 0.57 0.23 -0.55 8.43 8.67 2dphB1 GLY 70 HA2 -0.00 -0.05 0.90 -0.51 4.01 4.35 2dphB1 GLY 70 HA3 -0.02 0.02 0.17 -0.51 4.01 3.67 2dphB1 GLU 71 H -0.00 0.64 0.30 -0.55 8.60 9.00 2dphB1 GLU 71 HA 0.01 0.41 1.00 -0.75 4.29 4.95 2dphB1 GLU 71 HB2 -0.01 0.01 0.11 -0.04 2.09 2.16 2dphB1 GLU 71 HB3 0.01 0.01 -0.12 -0.04 1.99 1.85 2dphB1 GLU 71 HG2 0.01 0.11 -0.21 -0.04 2.34 2.22 2dphB1 GLU 71 HG3 0.01 -0.08 -0.22 -0.04 2.34 2.01 2dphB1 VAL 72 H 0.01 0.53 0.16 -0.55 8.24 8.38 2dphB1 VAL 72 HA 0.03 0.12 0.53 -0.75 4.13 4.05 2dphB1 VAL 72 HB 0.01 0.01 0.17 -0.04 2.12 2.28 2dphB1 VAL 72 HG13 0.02 -0.00 -0.30 -0.04 0.97 0.64 2dphB1 VAL 72 HG23 -0.00 0.03 -0.07 -0.04 0.95 0.87 2dphB1 VAL 73 H 0.06 0.55 0.47 -0.55 8.24 8.77 2dphB1 VAL 73 HA 0.04 0.14 0.98 -0.75 4.13 4.54 2dphB1 VAL 73 HB 0.09 0.00 0.07 -0.04 2.12 2.23 2dphB1 VAL 73 HG13 0.09 0.02 -0.09 -0.04 0.97 0.95 2dphB1 VAL 73 HG23 0.17 0.00 -0.17 -0.04 0.95 0.92 2dphB1 GLU 74 H 0.05 0.33 0.31 -0.55 8.60 8.75 2dphB1 GLU 74 HA 0.03 0.16 0.64 -0.75 4.29 4.36 2dphB1 GLU 74 HB2 0.07 0.08 -0.19 -0.04 2.09 2.01 2dphB1 GLU 74 HB3 0.07 -0.13 0.01 -0.04 1.99 1.89 2dphB1 GLU 74 HG2 0.03 0.02 -0.05 -0.04 2.34 2.30 2dphB1 GLU 74 HG3 0.03 0.06 0.10 -0.04 2.34 2.49 2dphB1 LYS 75 H 0.02 0.30 0.18 -0.55 8.42 8.36 2dphB1 LYS 75 HA 0.02 0.13 0.78 -0.75 4.32 4.50 2dphB1 LYS 75 HB2 0.02 0.05 0.06 -0.04 1.87 1.96 2dphB1 LYS 75 HB3 0.02 -0.03 -0.15 -0.04 1.79 1.59 2dphB1 LYS 75 HG2 0.02 -0.13 -0.02 -0.04 1.46 1.28 2dphB1 LYS 75 HG3 0.01 0.16 -0.07 -0.04 1.46 1.52 2dphB1 LYS 75 HD2 0.02 0.11 -0.03 -0.04 1.69 1.74 2dphB1 LYS 75 HD3 0.02 -0.14 -0.20 -0.04 1.68 1.31 2dphB1 LYS 75 HE2 0.01 -0.00 0.07 -0.04 2.99 3.02 2dphB1 LYS 75 HE3 0.01 -0.10 -0.00 -0.04 2.99 2.86 2dphB1 GLY 76 H 0.00 0.54 0.16 -0.55 8.43 8.59 2dphB1 GLY 76 HA2 -0.01 0.06 0.66 -0.51 4.01 4.21 2dphB1 GLY 76 HA3 -0.02 -0.04 0.43 -0.51 4.01 3.86 2dphB1 SER 77 H -0.01 0.03 0.22 -0.55 8.46 8.16 2dphB1 SER 77 HA 0.01 0.17 0.44 -0.75 4.49 4.35 2dphB1 SER 77 HB2 0.01 0.04 0.12 -0.04 3.95 4.08 2dphB1 SER 77 HB3 0.00 0.01 0.13 -0.04 3.93 4.03 2dphB1 ASP 78 H 0.01 0.41 -0.15 -0.55 8.40 8.12 2dphB1 ASP 78 HA 0.03 0.24 0.88 -0.75 4.63 5.04 2dphB1 ASP 78 HB2 0.04 -0.03 -0.07 -0.04 2.71 2.61 2dphB1 ASP 78 HB3 0.07 -0.10 -0.06 -0.04 2.70 2.57 2dphB1 VAL 79 H 0.03 0.42 -0.43 -0.55 8.24 7.70 2dphB1 VAL 79 HA 0.05 0.00 0.73 -0.75 4.13 4.16 2dphB1 VAL 79 HB 0.02 0.14 0.09 -0.04 2.12 2.33 2dphB1 VAL 79 HG13 0.03 -0.04 -0.10 -0.04 0.97 0.81 2dphB1 VAL 79 HG23 0.04 0.03 -0.31 -0.04 0.95 0.67 2dphB1 GLU 80 H 0.04 0.09 0.03 -0.55 8.60 8.20 2dphB1 GLU 80 HA 0.02 0.30 0.82 -0.75 4.29 4.68 2dphB1 GLU 80 HB2 0.02 0.04 0.08 -0.04 2.09 2.19 2dphB1 GLU 80 HB3 0.03 -0.01 -0.11 -0.04 1.99 1.86 2dphB1 GLU 80 HG2 0.03 -0.07 -0.04 -0.04 2.34 2.23 2dphB1 GLU 80 HG3 0.02 0.05 -0.25 -0.04 2.34 2.13 2dphB1 LEU 81 H 0.02 -0.07 0.02 -0.55 8.37 7.79 2dphB1 LEU 81 HA 0.01 0.26 0.90 -0.75 4.35 4.77 2dphB1 LEU 81 HB2 0.01 -0.00 0.03 -0.04 1.64 1.64 2dphB1 LEU 81 HB3 0.00 0.04 0.10 -0.04 1.64 1.74 2dphB1 LEU 81 HG 0.02 -0.15 -0.14 -0.04 1.64 1.33 2dphB1 LEU 81 HD13 0.01 0.04 0.00 -0.04 0.93 0.94 2dphB1 LEU 81 HD23 0.01 0.05 -0.07 -0.04 0.89 0.84 2dphB1 MET 82 H 0.01 0.01 -0.14 -0.55 8.47 7.80 2dphB1 MET 82 HA -0.00 0.19 0.83 -0.75 4.52 4.78 2dphB1 MET 82 HB2 0.01 -0.04 -0.11 -0.04 2.15 1.98 2dphB1 MET 82 HB3 -0.00 0.05 -0.10 -0.04 2.03 1.94 2dphB1 MET 82 HG2 0.01 -0.19 -0.27 -0.04 2.63 2.14 2dphB1 MET 82 HG3 0.00 0.03 -0.23 -0.04 2.56 2.32 2dphB1 MET 82 HE3 -0.03 0.08 -0.09 -0.04 2.10 2.02 2dphB1 ASP 83 H 0.00 0.17 0.08 -0.55 8.40 8.10 2dphB1 ASP 83 HA 0.01 0.19 0.80 -0.75 4.63 4.87 2dphB1 ASP 83 HB2 0.01 -0.03 -0.02 -0.04 2.71 2.63 2dphB1 ASP 83 HB3 0.01 0.10 0.01 -0.04 2.70 2.77 2dphB1 ILE 84 H 0.01 0.13 0.06 -0.55 8.25 7.90 2dphB1 ILE 84 HA 0.02 0.09 0.40 -0.75 4.18 3.93 2dphB1 ILE 84 HB 0.01 -0.04 0.10 -0.04 1.89 1.91 2dphB1 ILE 84 HG12 0.02 0.13 -0.13 -0.04 1.49 1.46 2dphB1 ILE 84 HG13 0.02 -0.07 -0.37 -0.04 1.21 0.75 2dphB1 ILE 84 HG23 0.01 0.03 -0.08 -0.04 0.93 0.85 2dphB1 ILE 84 HD13 0.01 -0.02 -0.05 -0.04 0.88 0.77 2dphB1 GLY 85 H 0.02 0.78 0.32 -0.55 8.43 9.00 2dphB1 GLY 85 HA2 0.01 -0.00 0.32 -0.51 4.01 3.82 2dphB1 GLY 85 HA3 0.01 0.10 0.59 -0.51 4.01 4.20 2dphB1 ASP 86 H 0.01 0.46 -0.25 -0.55 8.40 8.08 2dphB1 ASP 86 HA 0.01 0.05 0.51 -0.75 4.63 4.45 2dphB1 ASP 86 HB2 -0.00 0.03 0.13 -0.04 2.71 2.83 2dphB1 ASP 86 HB3 -0.01 0.04 -0.08 -0.04 2.70 2.61 2dphB1 LEU 87 H 0.04 0.16 0.23 -0.55 8.37 8.26 2dphB1 LEU 87 HA 0.04 0.23 0.90 -0.75 4.35 4.76 2dphB1 LEU 87 HB2 0.07 0.01 0.14 -0.04 1.64 1.82 2dphB1 LEU 87 HB3 0.14 0.03 0.20 -0.04 1.64 1.96 2dphB1 LEU 87 HG 0.41 0.00 -0.18 -0.04 1.64 1.83 2dphB1 LEU 87 HD13 0.09 0.04 -0.05 -0.04 0.93 0.96 2dphB1 LEU 87 HD23 0.09 -0.01 -0.04 -0.04 0.89 0.89 2dphB1 VAL 88 H -0.01 0.69 0.36 -0.55 8.24 8.73 2dphB1 VAL 88 HA -0.36 0.19 1.05 -0.75 4.13 4.25 2dphB1 VAL 88 HB -0.16 0.05 -0.15 -0.04 2.12 1.82 2dphB1 VAL 88 HG13 -0.08 -0.02 -0.46 -0.04 0.97 0.36 2dphB1 VAL 88 HG23 -0.06 -0.00 -0.26 -0.04 0.95 0.60 2dphB1 SER 89 H -0.50 0.74 0.33 -0.55 8.46 8.48 2dphB1 SER 89 HA -0.10 0.14 0.96 -0.75 4.49 4.75 2dphB1 SER 89 HB2 -0.43 -0.01 -0.01 -0.04 3.95 3.46 2dphB1 SER 89 HB3 -0.27 -0.02 0.04 -0.04 3.93 3.64 2dphB1 VAL 90 H -0.05 0.62 0.23 -0.55 8.24 8.50 2dphB1 VAL 90 HA -0.05 0.20 0.85 -0.75 4.13 4.38 2dphB1 VAL 90 HB -0.12 -0.11 0.07 -0.04 2.12 1.92 2dphB1 VAL 90 HG13 -0.12 0.07 -0.14 -0.04 0.97 0.73 2dphB1 VAL 90 HG23 -0.11 -0.00 -0.29 -0.04 0.95 0.50 2dphB1 PRO 91 HA 0.10 0.25 0.73 -0.51 4.44 5.01 2dphB1 PRO 91 HB2 -0.07 -0.10 0.04 -0.04 2.28 2.12 2dphB1 PRO 91 HB3 -0.03 -0.07 0.07 -0.04 2.02 1.95 2dphB1 PRO 91 HG2 -0.03 0.05 0.10 -0.04 2.03 2.12 2dphB1 PRO 91 HG3 -0.10 0.12 0.11 -0.04 2.03 2.12 2dphB1 PRO 91 HD2 -0.02 0.04 0.14 -0.04 3.68 3.80 2dphB1 PRO 91 HD3 -0.06 0.16 0.06 -0.04 3.65 3.78 2dphB1 PHE 92 H 0.33 0.26 0.36 -0.55 8.34 8.75 2dphB1 PHE 92 HA 0.37 0.09 0.45 -0.75 4.62 4.78 2dphB1 PHE 92 HB2 0.39 -0.09 0.22 -0.04 3.15 3.62 2dphB1 PHE 92 HB3 0.29 0.11 0.25 -0.04 3.06 3.67 2dphB1 PHE 92 HD2 0.13 0.03 0.09 -0.04 7.28 7.48 2dphB1 PHE 92 HE2 0.01 0.00 0.04 -0.04 7.38 7.39 2dphB1 PHE 92 HZ 0.01 -0.11 0.10 -0.04 7.32 7.29 2dphB1 ASN 93 H -0.59 -0.05 -0.12 -0.55 8.53 7.22 2dphB1 ASN 93 HA -0.39 0.29 0.62 -0.75 4.76 4.52 2dphB1 ASN 93 HB2 -0.24 -0.11 -0.03 -0.04 2.88 2.46 2dphB1 ASN 93 HB3 -0.28 0.21 -0.01 -0.04 2.79 2.67 2dphB1 ASN 93 HD21 -0.61 0.36 0.10 -0.04 7.03 6.84 2dphB1 ASN 93 HD22 -0.55 0.12 0.09 -0.04 7.74 7.37 2dphB1 VAL 94 H -0.27 0.21 -0.43 -0.55 8.24 7.21 2dphB1 VAL 94 HA -0.38 0.18 0.74 -0.75 4.13 3.91 2dphB1 VAL 94 HB -0.50 -0.06 0.06 -0.04 2.12 1.58 2dphB1 VAL 94 HG13 -1.19 -0.00 -0.14 -0.04 0.97 -0.40 2dphB1 VAL 94 HG23 -1.34 0.01 -0.14 -0.04 0.95 -0.56 2dphB1 ALA 95 H -0.14 0.38 0.06 -0.55 8.40 8.16 2dphB1 ALA 95 HA -0.18 0.04 0.79 -0.75 4.34 4.24 2dphB1 ALA 95 HB3 0.01 0.05 -0.09 -0.04 1.41 1.34 2dphB1 CYS 96 H -0.37 -0.02 0.15 -0.55 8.50 7.71 2dphB1 CYS 96 HA -1.50 0.24 0.38 -0.75 4.58 2.95 2dphB1 CYS 96 HB2 -1.04 0.11 0.05 -0.04 2.97 2.04 2dphB1 CYS 96 HB3 -0.67 0.06 0.04 -0.04 2.97 2.35 2dphB1 GLY 97 H -0.67 -0.04 -0.01 -0.55 8.43 7.16 2dphB1 GLY 97 HA2 -1.44 0.07 0.20 -0.51 4.01 2.33 2dphB1 GLY 97 HA3 -1.43 0.22 0.46 -0.51 4.01 2.74 2dphB1 ARG 98 H -0.41 -0.31 -0.21 -0.55 8.46 6.98 2dphB1 ARG 98 HA -0.19 0.32 0.80 -0.75 4.34 4.52 2dphB1 ARG 98 HB2 -0.22 -0.13 -0.09 -0.04 1.90 1.42 2dphB1 ARG 98 HB3 -0.12 0.04 -0.01 -0.04 1.80 1.67 2dphB1 ARG 98 HG2 -0.12 0.08 -0.15 -0.04 1.67 1.44 2dphB1 ARG 98 HG3 -0.29 0.14 -0.41 -0.04 1.67 1.06 2dphB1 ARG 98 HD2 -0.16 -0.10 -0.05 -0.04 3.22 2.87 2dphB1 ARG 98 HD3 -0.04 -0.00 -0.04 -0.04 3.22 3.10 2dphB1 CYS 99 H -0.23 -0.24 0.09 -0.55 8.50 7.56 2dphB1 CYS 99 HA -0.09 0.28 0.61 -0.75 4.58 4.62 2dphB1 CYS 99 HB2 -0.08 0.10 0.15 -0.04 2.97 3.10 2dphB1 CYS 99 HB3 -0.12 0.03 0.12 -0.04 2.97 2.96 2dphB1 ARG 100 H -0.06 0.18 0.14 -0.55 8.46 8.17 2dphB1 ARG 100 HA -0.05 0.17 0.36 -0.75 4.34 4.07 2dphB1 ARG 100 HB2 -0.03 0.05 0.13 -0.04 1.90 2.01 2dphB1 ARG 100 HB3 -0.04 -0.04 0.13 -0.04 1.80 1.81 2dphB1 ARG 100 HG2 -0.03 0.02 -0.02 -0.04 1.67 1.61 2dphB1 ARG 100 HG3 -0.02 0.05 -0.00 -0.04 1.67 1.65 2dphB1 ARG 100 HD2 -0.03 -0.01 -0.43 -0.04 3.22 2.71 2dphB1 ARG 100 HD3 -0.02 0.07 -0.09 -0.04 3.22 3.14 2dphB1 ASN 101 H -0.06 0.03 -0.08 -0.55 8.53 7.87 2dphB1 ASN 101 HA -0.04 0.19 0.37 -0.75 4.76 4.53 2dphB1 ASN 101 HB2 -0.05 -0.20 0.07 -0.04 2.88 2.66 2dphB1 ASN 101 HB3 -0.04 0.26 -0.11 -0.04 2.79 2.86 2dphB1 ASN 101 HD21 -0.02 -0.03 0.05 -0.04 7.03 6.99 2dphB1 ASN 101 HD22 -0.03 0.68 0.15 -0.04 7.74 8.50 2dphB1 CYS 102 H -0.11 -0.08 -0.35 -0.55 8.50 7.41 2dphB1 CYS 102 HA -0.06 0.02 0.21 -0.75 4.58 3.99 2dphB1 CYS 102 HB2 -0.26 0.00 -0.06 -0.04 2.97 2.62 2dphB1 CYS 102 HB3 -0.44 0.13 -0.10 -0.04 2.97 2.52 2dphB1 LYS 103 H -0.10 0.42 -0.38 -0.55 8.42 7.82 2dphB1 LYS 103 HA -0.06 0.10 0.37 -0.75 4.32 3.98 2dphB1 LYS 103 HB2 -0.06 0.05 0.03 -0.04 1.87 1.84 2dphB1 LYS 103 HB3 -0.04 -0.00 -0.02 -0.04 1.79 1.68 2dphB1 LYS 103 HG2 -0.07 0.01 -0.04 -0.04 1.46 1.32 2dphB1 LYS 103 HG3 -0.12 -0.10 -0.29 -0.04 1.46 0.91 2dphB1 LYS 103 HD2 -0.08 0.14 -0.13 -0.04 1.69 1.59 2dphB1 LYS 103 HD3 -0.07 -0.11 -0.41 -0.04 1.68 1.05 2dphB1 LYS 103 HE2 -0.04 -0.00 -0.06 -0.04 2.99 2.85 2dphB1 LYS 103 HE3 -0.04 0.00 -0.03 -0.04 2.99 2.88 2dphB1 GLU 104 H -0.04 0.25 -0.40 -0.55 8.60 7.86 2dphB1 GLU 104 HA -0.01 0.17 0.69 -0.75 4.29 4.38 2dphB1 GLU 104 HB2 -0.02 -0.01 0.07 -0.04 2.09 2.08 2dphB1 GLU 104 HB3 -0.01 0.01 0.14 -0.04 1.99 2.08 2dphB1 GLU 104 HG2 -0.02 0.02 -0.07 -0.04 2.34 2.24 2dphB1 GLU 104 HG3 -0.03 0.09 -0.05 -0.04 2.34 2.32 2dphB1 ALA 105 H -0.01 0.29 -0.66 -0.55 8.40 7.47 2dphB1 ALA 105 HA 0.01 0.00 0.26 -0.75 4.34 3.86 2dphB1 ALA 105 HB3 -0.02 0.04 0.04 -0.04 1.41 1.43 2dphB1 ARG 106 H -0.02 0.56 -0.16 -0.55 8.46 8.29 2dphB1 ARG 106 HA -0.03 0.17 0.77 -0.75 4.34 4.51 2dphB1 ARG 106 HB2 -0.02 0.03 0.07 -0.04 1.90 1.94 2dphB1 ARG 106 HB3 -0.02 -0.09 0.11 -0.04 1.80 1.77 2dphB1 ARG 106 HG2 -0.01 0.26 -0.39 -0.04 1.67 1.50 2dphB1 ARG 106 HG3 -0.00 -0.04 -0.04 -0.04 1.67 1.54 2dphB1 ARG 106 HD2 -0.01 0.15 0.14 -0.04 3.22 3.46 2dphB1 ARG 106 HD3 0.02 0.03 0.00 -0.04 3.22 3.24 2dphB1 SER 107 H -0.02 0.27 -0.24 -0.55 8.46 7.92 2dphB1 SER 107 HA -0.04 -0.06 0.24 -0.75 4.49 3.88 2dphB1 SER 107 HB2 0.04 0.03 -0.01 -0.04 3.95 3.97 2dphB1 SER 107 HB3 0.14 0.06 -0.00 -0.04 3.93 4.09 2dphB1 ASP 108 H -0.06 0.11 -0.47 -0.55 8.40 7.42 2dphB1 ASP 108 HA -0.14 0.08 0.44 -0.75 4.63 4.25 2dphB1 ASP 108 HB2 -0.04 0.10 -0.17 -0.04 2.71 2.57 2dphB1 ASP 108 HB3 -0.09 -0.10 -0.46 -0.04 2.70 2.01 2dphB1 VAL 109 H -0.05 0.30 -0.42 -0.55 8.24 7.52 2dphB1 VAL 109 HA -0.03 0.30 0.92 -0.75 4.13 4.55 2dphB1 VAL 109 HB -0.01 0.01 0.18 -0.04 2.12 2.26 2dphB1 VAL 109 HG13 -0.00 0.01 -0.08 -0.04 0.97 0.86 2dphB1 VAL 109 HG23 -0.01 -0.04 0.02 -0.04 0.95 0.88 2dphB1 CYS 110 H -0.07 0.25 -0.29 -0.55 8.50 7.84 2dphB1 CYS 110 HA -0.09 -0.19 0.42 -0.75 4.58 3.97 2dphB1 CYS 110 HB2 -0.12 0.06 0.16 -0.04 2.97 3.03 2dphB1 CYS 110 HB3 -0.09 0.21 0.09 -0.04 2.97 3.13 2dphB1 GLU 111 H -0.07 -0.13 0.20 -0.55 8.60 8.05 2dphB1 GLU 111 HA -0.02 0.29 0.58 -0.75 4.29 4.38 2dphB1 GLU 111 HB2 -0.05 -0.20 0.09 -0.04 2.09 1.89 2dphB1 GLU 111 HB3 -0.02 0.09 0.11 -0.04 1.99 2.12 2dphB1 GLU 111 HG2 -0.02 0.16 0.01 -0.04 2.34 2.45 2dphB1 GLU 111 HG3 -0.04 0.01 0.10 -0.04 2.34 2.38 2dphB1 ASN 112 H -0.08 -0.12 -0.06 -0.55 8.53 7.72 2dphB1 ASN 112 HA -0.02 0.06 0.43 -0.75 4.76 4.47 2dphB1 ASN 112 HB2 -0.14 -0.15 0.13 -0.04 2.88 2.68 2dphB1 ASN 112 HB3 -0.07 0.02 0.08 -0.04 2.79 2.78 2dphB1 ASN 112 HD21 -0.03 0.12 -0.03 -0.04 7.03 7.04 2dphB1 ASN 112 HD22 -0.21 -0.14 -0.01 -0.04 7.74 7.34 2dphB1 ASN 113 H 0.02 0.14 0.21 -0.55 8.53 8.35 2dphB1 ASN 113 HA 0.05 0.45 0.30 -0.75 4.76 4.82 2dphB1 ASN 113 HB2 0.04 -0.08 0.10 -0.04 2.88 2.90 2dphB1 ASN 113 HB3 0.04 0.02 0.08 -0.04 2.79 2.89 2dphB1 ASN 113 HD21 0.01 0.02 0.05 -0.04 7.03 7.08 2dphB1 ASN 113 HD22 0.02 -0.05 0.06 -0.04 7.74 7.72 2dphB1 LEU 114 H 0.10 -0.06 -0.36 -0.55 8.37 7.51 2dphB1 LEU 114 HA 0.17 0.21 0.56 -0.75 4.35 4.54 2dphB1 LEU 114 HB2 0.23 -0.10 -0.06 -0.04 1.64 1.67 2dphB1 LEU 114 HB3 0.27 0.06 -0.01 -0.04 1.64 1.92 2dphB1 LEU 114 HG 0.11 -0.09 -0.06 -0.04 1.64 1.55 2dphB1 LEU 114 HD13 0.15 -0.00 -0.03 -0.04 0.93 1.00 2dphB1 LEU 114 HD23 0.11 0.04 -0.05 -0.04 0.89 0.95 2dphB1 VAL 115 H 0.16 0.13 -0.38 -0.55 8.24 7.60 2dphB1 VAL 115 HA 0.63 0.11 0.66 -0.75 4.13 4.77 2dphB1 VAL 115 HB 0.06 0.13 0.01 -0.04 2.12 2.27 2dphB1 VAL 115 HG13 -0.01 0.06 -0.22 -0.04 0.97 0.77 2dphB1 VAL 115 HG23 -0.01 -0.07 -0.20 -0.04 0.95 0.64 2dphB1 ASN 116 H 0.13 0.42 -0.09 -0.55 8.53 8.44 2dphB1 ASN 116 HA 0.15 0.10 0.54 -0.75 4.76 4.79 2dphB1 ASN 116 HB2 0.15 0.07 -0.29 -0.04 2.88 2.76 2dphB1 ASN 116 HB3 0.08 0.13 0.09 -0.04 2.79 3.05 2dphB1 ASN 116 HD21 0.06 -0.06 -0.01 -0.04 7.03 6.98 2dphB1 ASN 116 HD22 0.08 0.48 0.05 -0.04 7.74 8.31 2dphB1 PRO 117 HA 0.04 0.05 0.68 -0.51 4.44 4.71 2dphB1 PRO 117 HB2 0.02 -0.01 0.06 -0.04 2.28 2.31 2dphB1 PRO 117 HB3 0.04 0.09 0.13 -0.04 2.02 2.24 2dphB1 PRO 117 HG2 0.02 0.00 0.03 -0.04 2.03 2.05 2dphB1 PRO 117 HG3 0.03 0.04 0.05 -0.04 2.03 2.10 2dphB1 PRO 117 HD2 0.06 0.03 0.18 -0.04 3.68 3.91 2dphB1 PRO 117 HD3 0.09 0.21 0.02 -0.04 3.65 3.93 2dphB1 ASP 118 H 0.04 0.07 -0.21 -0.55 8.40 7.75 2dphB1 ASP 118 HA 0.01 0.19 0.60 -0.75 4.63 4.68 2dphB1 ASP 118 HB2 0.02 0.02 0.01 -0.04 2.71 2.72 2dphB1 ASP 118 HB3 0.01 0.01 0.09 -0.04 2.70 2.77 2dphB1 ALA 119 H 0.03 0.27 -0.13 -0.55 8.40 8.02 2dphB1 ALA 119 HA 0.01 0.08 0.46 -0.75 4.34 4.13 2dphB1 ALA 119 HB3 0.02 0.04 -0.09 -0.04 1.41 1.34 2dphB1 ASP 120 H 0.00 0.14 0.02 -0.55 8.40 8.02 2dphB1 ASP 120 HA 0.00 0.26 0.62 -0.75 4.63 4.75 2dphB1 ASP 120 HB2 -0.00 -0.03 0.15 -0.04 2.71 2.79 2dphB1 ASP 120 HB3 -0.01 0.06 -0.10 -0.04 2.70 2.60 2dphB1 LEU 121 H 0.01 0.50 -0.10 -0.55 8.37 8.23 2dphB1 LEU 121 HA -0.03 -0.10 0.31 -0.75 4.35 3.77 2dphB1 LEU 121 HB2 -0.02 0.13 0.20 -0.04 1.64 1.91 2dphB1 LEU 121 HB3 -0.01 0.16 0.11 -0.04 1.64 1.87 2dphB1 LEU 121 HG 0.01 -0.00 -0.27 -0.04 1.64 1.34 2dphB1 LEU 121 HD13 -0.01 -0.01 -0.06 -0.04 0.93 0.80 2dphB1 LEU 121 HD23 0.01 -0.02 -0.26 -0.04 0.89 0.58 2dphB1 GLY 122 H -0.07 0.20 0.20 -0.55 8.43 8.21 2dphB1 GLY 122 HA2 0.05 0.40 0.95 -0.51 4.01 4.90 2dphB1 GLY 122 HA3 -0.09 0.11 0.41 -0.51 4.01 3.93 2dphB1 ALA 123 H 0.08 0.66 0.32 -0.55 8.40 8.91 2dphB1 ALA 123 HA 0.04 0.27 0.76 -0.75 4.34 4.65 2dphB1 ALA 123 HB3 0.31 0.02 -0.07 -0.04 1.41 1.63 2dphB1 PHE 124 H 0.29 0.46 0.23 -0.55 8.34 8.77 2dphB1 PHE 124 HA 0.31 0.12 0.58 -0.75 4.62 4.87 2dphB1 PHE 124 HB2 0.24 -0.10 0.19 -0.04 3.15 3.44 2dphB1 PHE 124 HB3 0.17 0.11 0.05 -0.04 3.06 3.35 2dphB1 PHE 124 HD2 0.16 0.16 0.01 -0.04 7.28 7.57 2dphB1 PHE 124 HE2 0.00 0.21 -0.02 -0.04 7.38 7.53 2dphB1 PHE 124 HZ -0.11 -0.06 0.01 -0.04 7.32 7.12 2dphB1 GLY 125 H 0.42 0.57 0.11 -0.55 8.43 8.98 2dphB1 GLY 125 HA2 0.27 0.24 0.45 -0.51 4.01 4.46 2dphB1 GLY 125 HA3 0.14 -0.13 0.25 -0.51 4.01 3.76 2dphB1 PHE 126 H 0.41 0.16 -0.44 -0.55 8.34 7.92 2dphB1 PHE 126 HA 0.08 0.20 0.75 -0.75 4.62 4.89 2dphB1 PHE 126 HB2 0.09 0.04 -0.20 -0.04 3.15 3.04 2dphB1 PHE 126 HB3 0.08 0.04 -0.06 -0.04 3.06 3.08 2dphB1 PHE 126 HD2 -0.52 0.05 -0.13 -0.04 7.28 6.64 2dphB1 PHE 126 HE2 -0.67 -0.01 -0.07 -0.04 7.38 6.59 2dphB1 PHE 126 HZ -0.32 -0.16 -0.08 -0.04 7.32 6.72 2dphB1 ASP 127 H 0.23 0.06 -0.02 -0.55 8.40 8.12 2dphB1 ASP 127 HA 0.07 -0.21 0.38 -0.75 4.63 4.12 2dphB1 ASP 127 HB2 -0.56 -0.02 0.03 -0.04 2.71 2.12 2dphB1 ASP 127 HB3 -0.04 0.31 0.28 -0.04 2.70 3.21 2dphB1 LEU 128 H 0.30 0.17 -0.09 -0.55 8.37 8.21 2dphB1 LEU 128 HA 0.16 0.23 0.94 -0.75 4.35 4.92 2dphB1 LEU 128 HB2 0.22 -0.05 0.09 -0.04 1.64 1.86 2dphB1 LEU 128 HB3 0.13 0.11 0.07 -0.04 1.64 1.91 2dphB1 LEU 128 HG 0.27 0.13 -0.43 -0.04 1.64 1.57 2dphB1 LEU 128 HD13 -0.02 -0.02 -0.15 -0.04 0.93 0.69 2dphB1 LEU 128 HD23 0.12 0.04 -0.02 -0.04 0.89 0.99 2dphB1 LYS 129 H 0.39 0.67 0.25 -0.55 8.42 9.18 2dphB1 LYS 129 HA 0.13 0.08 -0.43 -0.75 4.32 3.35 2dphB1 LYS 129 HB2 0.10 -0.01 0.15 -0.04 1.87 2.07 2dphB1 LYS 129 HB3 0.10 0.10 0.21 -0.04 1.79 2.16 2dphB1 LYS 129 HG2 0.03 -0.03 -0.00 -0.04 1.46 1.42 2dphB1 LYS 129 HG3 0.00 -0.01 -0.25 -0.04 1.46 1.17 2dphB1 LYS 129 HD2 0.04 0.17 0.05 -0.04 1.69 1.91 2dphB1 LYS 129 HD3 0.03 -0.01 0.06 -0.04 1.68 1.72 2dphB1 LYS 129 HE2 -0.00 -0.02 -0.00 -0.04 2.99 2.92 2dphB1 LYS 129 HE3 -0.01 -0.05 -0.02 -0.04 2.99 2.87 2dphB1 GLY 130 H 0.10 0.01 -0.03 -0.55 8.43 7.97 2dphB1 GLY 130 HA2 0.08 0.01 0.28 -0.51 4.01 3.87 2dphB1 GLY 130 HA3 -0.11 0.13 0.38 -0.51 4.01 3.91 2dphB1 TRP 131 H 0.30 -0.02 -0.19 -0.55 7.97 7.51 2dphB1 TRP 131 HA 0.17 0.19 0.94 -0.75 4.62 5.15 2dphB1 TRP 131 HB2 -0.04 -0.05 0.02 -0.04 3.23 3.13 2dphB1 TRP 131 HB3 -0.04 0.12 0.01 -0.04 3.23 3.28 2dphB1 TRP 131 HD1 -0.04 -0.02 -0.41 -0.04 7.22 6.70 2dphB1 TRP 131 HE1 -0.09 0.37 0.25 -0.04 10.20 10.70 2dphB1 TRP 131 HE3 0.02 0.04 0.02 -0.04 7.59 7.63 2dphB1 TRP 131 HZ2 -0.25 0.11 0.03 -0.04 7.44 7.29 2dphB1 TRP 131 HZ3 -0.09 -0.05 -0.09 -0.04 7.13 6.86 2dphB1 TRP 131 HH2 -0.27 -0.09 -0.08 -0.04 7.19 6.71 2dphB1 SER 132 H 0.27 0.19 0.16 -0.55 8.46 8.53 2dphB1 SER 132 HA -0.10 -0.07 0.51 -0.75 4.49 4.08 2dphB1 SER 132 HB2 0.15 -0.03 0.20 -0.04 3.95 4.23 2dphB1 SER 132 HB3 0.03 0.14 0.11 -0.04 3.93 4.17 2dphB1 GLY 133 H -0.10 0.39 0.28 -0.55 8.43 8.46 2dphB1 GLY 133 HA2 0.21 0.08 0.41 -0.51 4.01 4.20 2dphB1 GLY 133 HA3 0.06 -0.05 -0.16 -0.51 4.01 3.36 2dphB1 GLY 134 H 0.01 0.34 0.06 -0.55 8.43 8.30 2dphB1 GLY 134 HA2 -0.04 0.25 0.66 -0.51 4.01 4.36 2dphB1 GLY 134 HA3 -0.09 -0.05 0.14 -0.51 4.01 3.50 2dphB1 GLN 135 H -0.01 0.58 0.10 -0.55 8.47 8.60 2dphB1 GLN 135 HA -0.03 0.11 0.68 -0.75 4.36 4.37 2dphB1 GLN 135 HB2 0.02 0.24 0.11 -0.04 2.15 2.48 2dphB1 GLN 135 HB3 0.02 -0.07 0.16 -0.04 2.02 2.09 2dphB1 GLN 135 HG2 -0.01 0.06 -0.09 -0.04 2.40 2.32 2dphB1 GLN 135 HG3 -0.03 -0.10 -0.08 -0.04 2.39 2.13 2dphB1 GLN 135 HE21 0.02 -0.14 0.08 -0.04 6.97 6.89 2dphB1 GLN 135 HE22 -0.10 0.42 0.16 -0.04 7.69 8.12 2dphB1 ALA 136 H -0.05 0.62 -0.18 -0.55 8.40 8.25 2dphB1 ALA 136 HA -0.04 0.24 0.82 -0.75 4.34 4.60 2dphB1 ALA 136 HB3 -0.01 0.00 -0.17 -0.04 1.41 1.20 2dphB1 GLU 137 H -0.05 0.27 0.19 -0.55 8.60 8.46 2dphB1 GLU 137 HA -0.30 0.11 0.65 -0.75 4.29 3.99 2dphB1 GLU 137 HB2 0.00 -0.06 0.19 -0.04 2.09 2.18 2dphB1 GLU 137 HB3 -0.36 0.04 0.10 -0.04 1.99 1.73 2dphB1 GLU 137 HG2 -0.46 0.10 0.07 -0.04 2.34 2.01 2dphB1 GLU 137 HG3 -0.14 0.11 0.15 -0.04 2.34 2.42 2dphB1 TYR 138 H 0.03 0.15 0.05 -0.55 8.29 7.97 2dphB1 TYR 138 HA -0.01 0.29 0.90 -0.75 4.56 4.99 2dphB1 TYR 138 HB2 -0.25 -0.04 0.01 -0.04 3.06 2.74 2dphB1 TYR 138 HB3 -0.24 0.02 0.07 -0.04 2.98 2.79 2dphB1 TYR 138 HD2 0.04 -0.01 -0.04 -0.04 7.15 7.10 2dphB1 TYR 138 HE2 0.15 0.00 -0.00 -0.04 6.85 6.96 2dphB1 VAL 139 H 0.06 0.43 0.24 -0.55 8.24 8.43 2dphB1 VAL 139 HA 0.03 0.10 0.61 -0.75 4.13 4.12 2dphB1 VAL 139 HB -0.03 0.07 -0.26 -0.04 2.12 1.86 2dphB1 VAL 139 HG13 -0.09 -0.03 -0.24 -0.04 0.97 0.56 2dphB1 VAL 139 HG23 -0.04 0.06 -0.16 -0.04 0.95 0.77 2dphB1 LEU 140 H 0.11 0.17 0.14 -0.55 8.37 8.24 2dphB1 LEU 140 HA 0.08 0.19 0.87 -0.75 4.35 4.74 2dphB1 LEU 140 HB2 0.11 0.03 0.07 -0.04 1.64 1.81 2dphB1 LEU 140 HB3 0.23 -0.03 0.19 -0.04 1.64 1.98 2dphB1 LEU 140 HG 0.32 -0.05 -0.31 -0.04 1.64 1.57 2dphB1 LEU 140 HD13 0.12 0.04 -0.12 -0.04 0.93 0.93 2dphB1 LEU 140 HD23 0.27 0.01 0.04 -0.04 0.89 1.17 2dphB1 VAL 141 H 0.09 0.65 0.25 -0.55 8.24 8.68 2dphB1 VAL 141 HA 0.26 0.24 0.82 -0.75 4.13 4.69 2dphB1 VAL 141 HB 0.04 -0.11 0.05 -0.04 2.12 2.06 2dphB1 VAL 141 HG13 0.12 0.04 -0.17 -0.04 0.97 0.92 2dphB1 VAL 141 HG23 -0.08 0.01 -0.31 -0.04 0.95 0.53 2dphB1 PRO 142 HA 0.02 -0.03 0.51 -0.51 4.44 4.42 2dphB1 PRO 142 HB2 -0.52 -0.01 -0.07 -0.04 2.28 1.64 2dphB1 PRO 142 HB3 -0.15 0.04 -0.02 -0.04 2.02 1.85 2dphB1 PRO 142 HG2 -0.54 0.03 -0.08 -0.04 2.03 1.40 2dphB1 PRO 142 HG3 -2.10 0.08 -0.04 -0.04 2.03 -0.07 2dphB1 PRO 142 HD2 -0.06 0.15 0.13 -0.04 3.68 3.87 2dphB1 PRO 142 HD3 -0.13 0.20 -0.03 -0.04 3.65 3.65 2dphB1 TYR 143 H 0.04 -0.00 -0.07 -0.55 8.29 7.71 2dphB1 TYR 143 HA -0.03 -0.01 0.35 -0.75 4.56 4.12 2dphB1 TYR 143 HB2 -0.08 0.23 -0.05 -0.04 3.06 3.13 2dphB1 TYR 143 HB3 -0.08 0.04 0.19 -0.04 2.98 3.09 2dphB1 TYR 143 HD2 -0.38 0.08 -0.14 -0.04 7.15 6.67 2dphB1 TYR 143 HE2 -0.28 0.04 -0.11 -0.04 6.85 6.46 2dphB1 ALA 144 H 0.12 0.63 0.06 -0.55 8.40 8.66 2dphB1 ALA 144 HA 0.06 0.11 0.09 -0.75 4.34 3.84 2dphB1 ALA 144 HB3 0.05 0.01 -0.00 -0.04 1.41 1.42 2dphB1 ASP 145 H 0.10 0.12 -0.09 -0.55 8.40 7.98 2dphB1 ASP 145 HA 0.03 0.05 0.40 -0.75 4.63 4.35 2dphB1 ASP 145 HB2 0.09 0.01 0.11 -0.04 2.71 2.88 2dphB1 ASP 145 HB3 0.06 0.10 -0.04 -0.04 2.70 2.78 2dphB1 TYR 146 H 0.19 0.09 -0.16 -0.55 8.29 7.86 2dphB1 TYR 146 HA -0.02 0.11 0.58 -0.75 4.56 4.48 2dphB1 TYR 146 HB2 -0.03 -0.04 0.05 -0.04 3.06 2.99 2dphB1 TYR 146 HB3 -0.02 0.10 0.06 -0.04 2.98 3.07 2dphB1 TYR 146 HD2 -0.08 0.13 -0.15 -0.04 7.15 7.02 2dphB1 TYR 146 HE2 -0.10 -0.01 -0.11 -0.04 6.85 6.59 2dphB1 MET 147 H 0.10 0.46 -0.00 -0.55 8.47 8.48 2dphB1 MET 147 HA -0.19 -0.04 0.25 -0.75 4.52 3.78 2dphB1 MET 147 HB2 0.06 -0.01 -0.02 -0.04 2.15 2.13 2dphB1 MET 147 HB3 0.02 -0.04 -0.07 -0.04 2.03 1.90 2dphB1 MET 147 HG2 0.19 -0.04 0.05 -0.04 2.63 2.79 2dphB1 MET 147 HG3 0.10 0.22 0.01 -0.04 2.56 2.84 2dphB1 MET 147 HE3 0.13 0.02 -0.02 -0.04 2.10 2.18 2dphB1 LEU 148 H -0.04 0.42 -0.07 -0.55 8.37 8.13 2dphB1 LEU 148 HA -0.08 0.15 0.24 -0.75 4.35 3.90 2dphB1 LEU 148 HB2 -0.05 0.05 -0.01 -0.04 1.64 1.59 2dphB1 LEU 148 HB3 -0.08 -0.07 -0.13 -0.04 1.64 1.31 2dphB1 LEU 148 HG -0.00 -0.01 0.02 -0.04 1.64 1.60 2dphB1 LEU 148 HD13 -0.01 -0.03 -0.15 -0.04 0.93 0.70 2dphB1 LEU 148 HD23 -0.04 -0.01 -0.21 -0.04 0.89 0.60 2dphB1 LEU 149 H -0.17 0.57 0.28 -0.55 8.37 8.50 2dphB1 LEU 149 HA -0.14 0.18 0.91 -0.75 4.35 4.55 2dphB1 LEU 149 HB2 -0.13 0.07 0.01 -0.04 1.64 1.55 2dphB1 LEU 149 HB3 -0.24 -0.07 0.16 -0.04 1.64 1.45 2dphB1 LEU 149 HG -0.23 0.06 -0.33 -0.04 1.64 1.10 2dphB1 LEU 149 HD13 -0.05 -0.01 -0.02 -0.04 0.93 0.81 2dphB1 LEU 149 HD23 -0.05 -0.03 -0.18 -0.04 0.89 0.59 2dphB1 LYS 150 H -0.12 0.21 0.04 -0.55 8.42 8.00 2dphB1 LYS 150 HA -0.17 0.14 0.57 -0.75 4.32 4.11 2dphB1 LYS 150 HB2 -0.05 0.01 0.12 -0.04 1.87 1.91 2dphB1 LYS 150 HB3 -0.02 -0.03 -0.15 -0.04 1.79 1.55 2dphB1 LYS 150 HG2 -0.04 -0.00 -0.06 -0.04 1.46 1.32 2dphB1 LYS 150 HG3 -0.06 -0.01 -0.11 -0.04 1.46 1.25 2dphB1 LYS 150 HD2 -0.01 0.13 0.07 -0.04 1.69 1.84 2dphB1 LYS 150 HD3 -0.02 0.00 0.02 -0.04 1.68 1.64 2dphB1 LYS 150 HE2 0.00 -0.05 -0.06 -0.04 2.99 2.84 2dphB1 LYS 150 HE3 -0.00 -0.05 -0.01 -0.04 2.99 2.89 2dphB1 PHE 151 H -0.13 0.74 0.28 -0.55 8.34 8.67 2dphB1 PHE 151 HA -0.01 0.09 0.78 -0.75 4.62 4.72 2dphB1 PHE 151 HB2 -0.02 0.03 0.05 -0.04 3.15 3.17 2dphB1 PHE 151 HB3 -0.02 -0.05 -0.04 -0.04 3.06 2.90 2dphB1 PHE 151 HD2 -0.02 -0.00 -0.14 -0.04 7.28 7.08 2dphB1 PHE 151 HE2 -0.02 0.01 -0.14 -0.04 7.38 7.19 2dphB1 PHE 151 HZ -0.01 0.05 -0.06 -0.04 7.32 7.26 2dphB1 GLY 152 H 0.11 0.25 -0.07 -0.55 8.43 8.17 2dphB1 GLY 152 HA2 0.04 0.05 0.21 -0.51 4.01 3.80 2dphB1 GLY 152 HA3 0.04 0.04 0.27 -0.51 4.01 3.85 2dphB1 ASP 153 H 0.03 0.12 -0.18 -0.55 8.40 7.82 2dphB1 ASP 153 HA 0.01 0.19 0.97 -0.75 4.63 5.05 2dphB1 ASP 153 HB2 -0.01 0.10 0.01 -0.04 2.71 2.77 2dphB1 ASP 153 HB3 -0.03 -0.00 0.14 -0.04 2.70 2.76 2dphB1 LYS 154 H 0.01 0.27 0.14 -0.55 8.42 8.29 2dphB1 LYS 154 HA 0.03 0.11 0.37 -0.75 4.32 4.07 2dphB1 LYS 154 HB2 0.00 -0.00 0.19 -0.04 1.87 2.02 2dphB1 LYS 154 HB3 -0.00 0.03 -0.02 -0.04 1.79 1.76 2dphB1 LYS 154 HG2 0.02 -0.00 0.08 -0.04 1.46 1.52 2dphB1 LYS 154 HG3 0.04 0.01 0.13 -0.04 1.46 1.59 2dphB1 LYS 154 HD2 0.02 0.05 0.09 -0.04 1.69 1.80 2dphB1 LYS 154 HD3 0.01 -0.05 0.07 -0.04 1.68 1.66 2dphB1 LYS 154 HE2 0.02 -0.03 0.05 -0.04 2.99 2.99 2dphB1 LYS 154 HE3 0.01 0.13 0.10 -0.04 2.99 3.19 2dphB1 GLU 155 H -0.02 0.09 -0.14 -0.55 8.60 7.98 2dphB1 GLU 155 HA -0.04 0.12 0.37 -0.75 4.29 3.99 2dphB1 GLU 155 HB2 -0.03 -0.04 0.08 -0.04 2.09 2.05 2dphB1 GLU 155 HB3 -0.04 0.08 -0.04 -0.04 1.99 1.95 2dphB1 GLU 155 HG2 -0.02 0.05 0.01 -0.04 2.34 2.34 2dphB1 GLU 155 HG3 -0.03 0.05 0.01 -0.04 2.34 2.33 2dphB1 GLN 156 H -0.06 0.05 -0.17 -0.55 8.47 7.74 2dphB1 GLN 156 HA -0.10 0.11 0.47 -0.75 4.36 4.08 2dphB1 GLN 156 HB2 -0.10 -0.03 0.09 -0.04 2.15 2.07 2dphB1 GLN 156 HB3 -0.09 0.05 0.08 -0.04 2.02 2.01 2dphB1 GLN 156 HG2 -0.15 0.01 -0.18 -0.04 2.40 2.04 2dphB1 GLN 156 HG3 -0.16 0.04 0.04 -0.04 2.39 2.27 2dphB1 GLN 156 HE21 -0.36 0.00 -0.01 -0.04 6.97 6.56 2dphB1 GLN 156 HE22 -0.30 0.07 0.02 -0.04 7.69 7.44 2dphB1 ALA 157 H -0.09 0.39 -0.29 -0.55 8.40 7.85 2dphB1 ALA 157 HA -0.26 0.07 0.33 -0.75 4.34 3.73 2dphB1 ALA 157 HB3 -0.29 0.01 -0.00 -0.04 1.41 1.09 2dphB1 MET 158 H -0.09 0.51 -0.07 -0.55 8.47 8.27 2dphB1 MET 158 HA -0.09 -0.01 0.38 -0.75 4.52 4.06 2dphB1 MET 158 HB2 -0.05 0.07 0.12 -0.04 2.15 2.25 2dphB1 MET 158 HB3 -0.04 0.00 0.05 -0.04 2.03 2.00 2dphB1 MET 158 HG2 -0.03 0.14 0.09 -0.04 2.63 2.79 2dphB1 MET 158 HG3 -0.02 -0.01 0.01 -0.04 2.56 2.49 2dphB1 MET 158 HE3 -0.02 -0.01 -0.03 -0.04 2.10 2.00 2dphB1 GLU 159 H -0.09 0.33 -0.39 -0.55 8.60 7.90 2dphB1 GLU 159 HA -0.06 0.09 0.61 -0.75 4.29 4.17 2dphB1 GLU 159 HB2 -0.09 0.15 0.07 -0.04 2.09 2.18 2dphB1 GLU 159 HB3 -0.07 -0.03 0.10 -0.04 1.99 1.96 2dphB1 GLU 159 HG2 -0.05 -0.03 0.03 -0.04 2.34 2.24 2dphB1 GLU 159 HG3 -0.06 0.07 0.04 -0.04 2.34 2.35 2dphB1 LYS 160 H -0.13 0.39 -0.46 -0.55 8.42 7.67 2dphB1 LYS 160 HA -0.09 0.17 0.80 -0.75 4.32 4.45 2dphB1 LYS 160 HB2 -0.16 0.11 0.06 -0.04 1.87 1.84 2dphB1 LYS 160 HB3 -0.13 -0.15 0.16 -0.04 1.79 1.63 2dphB1 LYS 160 HG2 -0.10 -0.00 -0.01 -0.04 1.46 1.31 2dphB1 LYS 160 HG3 -0.11 0.03 -0.29 -0.04 1.46 1.04 2dphB1 LYS 160 HD2 -0.14 0.01 -0.08 -0.04 1.69 1.44 2dphB1 LYS 160 HD3 -0.11 -0.07 -0.21 -0.04 1.68 1.26 2dphB1 LYS 160 HE2 -0.12 -0.01 -0.02 -0.04 2.99 2.80 2dphB1 LYS 160 HE3 -0.13 0.11 0.02 -0.04 2.99 2.96 2dphB1 ILE 161 H -0.10 0.38 -0.28 -0.55 8.25 7.70 2dphB1 ILE 161 HA -0.14 0.03 0.23 -0.75 4.18 3.55 2dphB1 ILE 161 HB -0.08 0.07 0.14 -0.04 1.89 1.98 2dphB1 ILE 161 HG12 -0.03 0.04 -0.10 -0.04 1.49 1.36 2dphB1 ILE 161 HG13 -0.04 -0.07 -0.11 -0.04 1.21 0.95 2dphB1 ILE 161 HG23 -0.05 0.03 -0.07 -0.04 0.93 0.80 2dphB1 ILE 161 HD13 -0.04 -0.02 -0.10 -0.04 0.88 0.68 2dphB1 LYS 162 H -0.06 0.19 -0.33 -0.55 8.42 7.65 2dphB1 LYS 162 HA -0.05 0.07 0.39 -0.75 4.32 3.98 2dphB1 LYS 162 HB2 -0.05 0.03 -0.03 -0.04 1.87 1.78 2dphB1 LYS 162 HB3 -0.05 0.01 -0.01 -0.04 1.79 1.69 2dphB1 LYS 162 HG2 -0.04 -0.02 -0.06 -0.04 1.46 1.30 2dphB1 LYS 162 HG3 -0.04 0.01 -0.04 -0.04 1.46 1.34 2dphB1 LYS 162 HD2 -0.04 0.05 -0.02 -0.04 1.69 1.63 2dphB1 LYS 162 HD3 -0.04 -0.00 -0.04 -0.04 1.68 1.56 2dphB1 LYS 162 HE2 -0.03 -0.07 -0.05 -0.04 2.99 2.81 2dphB1 LYS 162 HE3 -0.03 0.06 -0.02 -0.04 2.99 2.95 2dphB1 ASP 163 H -0.07 0.30 -0.24 -0.55 8.40 7.84 2dphB1 ASP 163 HA -0.05 0.10 0.65 -0.75 4.63 4.57 2dphB1 ASP 163 HB2 -0.09 0.20 0.15 -0.04 2.71 2.93 2dphB1 ASP 163 HB3 -0.07 -0.02 -0.01 -0.04 2.70 2.56 2dphB1 LEU 164 H -0.10 0.49 -0.02 -0.55 8.37 8.18 2dphB1 LEU 164 HA -0.02 0.06 0.34 -0.75 4.35 3.97 2dphB1 LEU 164 HB2 -0.28 0.05 -0.05 -0.04 1.64 1.33 2dphB1 LEU 164 HB3 -0.36 -0.04 0.02 -0.04 1.64 1.22 2dphB1 LEU 164 HG -0.20 0.08 -0.04 -0.04 1.64 1.43 2dphB1 LEU 164 HD13 -0.64 0.05 -0.06 -0.04 0.93 0.24 2dphB1 LEU 164 HD23 -0.13 -0.00 -0.03 -0.04 0.89 0.69 2dphB1 THR 165 H -0.03 0.51 -0.31 -0.55 8.28 7.90 2dphB1 THR 165 HA 0.04 0.08 0.48 -0.75 4.39 4.24 2dphB1 THR 165 HB -0.02 0.15 0.04 -0.04 4.32 4.45 2dphB1 THR 165 HG23 -0.04 0.02 -0.19 -0.04 1.22 0.96 2dphB1 LEU 166 H 0.00 0.42 -0.56 -0.55 8.37 7.68 2dphB1 LEU 166 HA 0.00 0.04 0.62 -0.75 4.35 4.26 2dphB1 LEU 166 HB2 0.00 0.23 0.02 -0.04 1.64 1.85 2dphB1 LEU 166 HB3 0.01 -0.20 0.09 -0.04 1.64 1.50 2dphB1 LEU 166 HG -0.03 0.13 -0.06 -0.04 1.64 1.65 2dphB1 LEU 166 HD13 -0.02 0.01 -0.01 -0.04 0.93 0.86 2dphB1 LEU 166 HD23 -0.04 -0.02 -0.13 -0.04 0.89 0.66 2dphB1 ILE 167 H 0.07 0.42 -0.40 -0.55 8.25 7.80 2dphB1 ILE 167 HA 0.08 0.02 0.35 -0.75 4.18 3.88 2dphB1 ILE 167 HB 0.21 0.28 0.08 -0.04 1.89 2.42 2dphB1 ILE 167 HG12 0.07 -0.00 -0.03 -0.04 1.49 1.48 2dphB1 ILE 167 HG13 0.15 0.01 -0.02 -0.04 1.21 1.31 2dphB1 ILE 167 HG23 0.12 -0.01 -0.09 -0.04 0.93 0.92 2dphB1 ILE 167 HD13 0.05 0.02 -0.19 -0.04 0.88 0.72 2dphB1 SER 168 H 0.07 0.18 -0.51 -0.55 8.46 7.66 2dphB1 SER 168 HA 0.08 0.12 0.26 -0.75 4.49 4.19 2dphB1 SER 168 HB2 0.08 0.07 0.11 -0.04 3.95 4.16 2dphB1 SER 168 HB3 0.04 0.10 -0.09 -0.04 3.93 3.94 2dphB1 ASP 169 H 0.11 0.19 -0.46 -0.55 8.40 7.69 2dphB1 ASP 169 HA 0.36 0.10 0.83 -0.75 4.63 5.17 2dphB1 ASP 169 HB2 0.25 0.22 -0.25 -0.04 2.71 2.89 2dphB1 ASP 169 HB3 0.05 -0.09 -0.01 -0.04 2.70 2.61 2dphB1 ILE 170 H 0.04 0.17 0.15 -0.55 8.25 8.07 2dphB1 ILE 170 HA 0.05 0.06 0.02 -0.75 4.18 3.56 2dphB1 ILE 170 HB 0.01 0.01 -0.03 -0.04 1.89 1.84 2dphB1 ILE 170 HG12 -0.02 -0.02 0.08 -0.04 1.49 1.50 2dphB1 ILE 170 HG13 0.01 0.07 -0.02 -0.04 1.21 1.22 2dphB1 ILE 170 HG23 -0.02 -0.01 -0.03 -0.04 0.93 0.83 2dphB1 ILE 170 HD13 -0.04 0.06 -0.13 -0.04 0.88 0.73 2dphB1 LEU 171 H 0.05 0.41 0.04 -0.55 8.37 8.33 2dphB1 LEU 171 HA 0.06 0.09 0.60 -0.75 4.35 4.34 2dphB1 LEU 171 HB2 0.03 -0.01 0.00 -0.04 1.64 1.62 2dphB1 LEU 171 HB3 0.04 0.08 -0.10 -0.04 1.64 1.62 2dphB1 LEU 171 HG -0.00 -0.01 -0.28 -0.04 1.64 1.31 2dphB1 LEU 171 HD13 0.06 0.01 -0.03 -0.04 0.93 0.92 2dphB1 LEU 171 HD23 -0.01 0.01 -0.14 -0.04 0.89 0.72 2dphB1 PRO 172 HA 0.13 0.07 0.39 -0.51 4.44 4.52 2dphB1 PRO 172 HB2 0.22 0.07 -0.09 -0.04 2.28 2.45 2dphB1 PRO 172 HB3 0.28 -0.01 -0.01 -0.04 2.02 2.24 2dphB1 PRO 172 HG2 0.14 0.28 -0.08 -0.04 2.03 2.33 2dphB1 PRO 172 HG3 0.12 0.01 -0.07 -0.04 2.03 2.04 2dphB1 PRO 172 HD2 0.12 -0.01 -0.38 -0.04 3.68 3.37 2dphB1 PRO 172 HD3 0.08 0.09 -0.01 -0.04 3.65 3.76 2dphB1 THR 173 H 0.14 0.39 -0.37 -0.55 8.28 7.90 2dphB1 THR 173 HA 0.19 0.03 0.40 -0.75 4.39 4.25 2dphB1 THR 173 HB 0.09 -0.02 0.06 -0.04 4.32 4.42 2dphB1 THR 173 HG23 0.10 -0.01 -0.17 -0.04 1.22 1.10 2dphB1 GLY 174 H 0.08 0.64 -0.06 -0.55 8.43 8.54 2dphB1 GLY 174 HA2 0.03 -0.02 0.37 -0.51 4.01 3.88 2dphB1 GLY 174 HA3 0.05 0.09 0.13 -0.51 4.01 3.77 2dphB1 PHE 175 H 0.18 0.67 -0.18 -0.55 8.34 8.46 2dphB1 PHE 175 HA -0.06 0.04 0.41 -0.75 4.62 4.26 2dphB1 PHE 175 HB2 -0.03 0.04 0.02 -0.04 3.15 3.14 2dphB1 PHE 175 HB3 -0.15 -0.00 0.05 -0.04 3.06 2.92 2dphB1 PHE 175 HD2 -0.28 -0.03 -0.10 -0.04 7.28 6.83 2dphB1 PHE 175 HE2 0.08 0.06 -0.09 -0.04 7.38 7.39 2dphB1 PHE 175 HZ 0.04 0.05 -0.08 -0.04 7.32 7.28 2dphB1 HIS 176 H -0.01 0.65 -0.19 -0.55 8.41 8.32 2dphB1 HIS 176 HA -0.51 -0.00 0.43 -0.75 4.63 3.79 2dphB1 HIS 176 HB2 -0.20 0.00 0.06 -0.04 3.26 3.09 2dphB1 HIS 176 HB3 -0.00 0.10 0.13 -0.04 3.20 3.37 2dphB1 HIS 176 HD2 0.09 0.02 -0.25 -0.04 6.97 6.79 2dphB1 HIS 176 HE1 0.15 0.02 -0.03 -0.04 7.75 7.84 2dphB1 GLY 177 H -0.01 0.46 -0.35 -0.55 8.43 7.98 2dphB1 GLY 177 HA2 -0.14 -0.05 0.36 -0.51 4.01 3.67 2dphB1 GLY 177 HA3 -0.05 0.01 0.20 -0.51 4.01 3.66 2dphB1 CYS 178 H -0.17 0.40 -0.26 -0.55 8.50 7.92 2dphB1 CYS 178 HA -0.12 0.02 0.37 -0.75 4.58 4.10 2dphB1 CYS 178 HB2 -0.31 0.15 0.13 -0.04 2.97 2.89 2dphB1 CYS 178 HB3 -0.18 -0.01 -0.11 -0.04 2.97 2.62 2dphB1 VAL 179 H -0.46 0.69 0.02 -0.55 8.24 7.94 2dphB1 VAL 179 HA -0.24 0.14 0.33 -0.75 4.13 3.61 2dphB1 VAL 179 HB -0.36 -0.02 0.10 -0.04 2.12 1.80 2dphB1 VAL 179 HG13 0.02 -0.00 -0.15 -0.04 0.97 0.80 2dphB1 VAL 179 HG23 -0.71 0.02 -0.03 -0.04 0.95 0.19 2dphB1 SER 180 H -0.29 0.57 -0.16 -0.55 8.46 8.03 2dphB1 SER 180 HA -0.08 0.05 0.40 -0.75 4.49 4.10 2dphB1 SER 180 HB2 -0.11 -0.07 0.08 -0.04 3.95 3.81 2dphB1 SER 180 HB3 -0.32 -0.04 0.07 -0.04 3.93 3.59 2dphB1 ALA 181 H -0.13 0.28 -0.75 -0.55 8.40 7.25 2dphB1 ALA 181 HA -0.04 0.07 0.43 -0.75 4.34 4.05 2dphB1 ALA 181 HB3 -0.05 -0.01 0.04 -0.04 1.41 1.35 2dphB1 GLY 182 H -0.08 0.45 -0.38 -0.55 8.43 7.87 2dphB1 GLY 182 HA2 -0.06 0.05 0.23 -0.51 4.01 3.72 2dphB1 GLY 182 HA3 -0.05 0.03 0.36 -0.51 4.01 3.85 2dphB1 VAL 183 H -0.10 0.44 -0.22 -0.55 8.24 7.82 2dphB1 VAL 183 HA -0.05 -0.02 0.38 -0.75 4.13 3.69 2dphB1 VAL 183 HB -0.12 -0.08 -0.16 -0.04 2.12 1.72 2dphB1 VAL 183 HG13 -0.04 -0.02 -0.21 -0.04 0.97 0.66 2dphB1 VAL 183 HG23 -0.06 0.02 -0.11 -0.04 0.95 0.76 2dphB1 LYS 184 H -0.04 0.13 0.15 -0.55 8.42 8.11 2dphB1 LYS 184 HA -0.02 0.16 0.58 -0.75 4.32 4.28 2dphB1 LYS 184 HB2 -0.02 0.00 0.11 -0.04 1.87 1.92 2dphB1 LYS 184 HB3 -0.03 0.02 -0.22 -0.04 1.79 1.52 2dphB1 LYS 184 HG2 -0.04 0.12 -0.02 -0.04 1.46 1.48 2dphB1 LYS 184 HG3 -0.04 0.09 -0.18 -0.04 1.46 1.30 2dphB1 LYS 184 HD2 -0.02 -0.04 -0.02 -0.04 1.69 1.56 2dphB1 LYS 184 HD3 -0.03 -0.02 -0.05 -0.04 1.68 1.54 2dphB1 LYS 184 HE2 -0.04 0.05 -0.01 -0.04 2.99 2.96 2dphB1 LYS 184 HE3 -0.04 0.00 -0.04 -0.04 2.99 2.87 2dphB1 PRO 185 HA -0.01 0.17 0.30 -0.51 4.44 4.40 2dphB1 PRO 185 HB2 -0.01 -0.07 0.10 -0.04 2.28 2.26 2dphB1 PRO 185 HB3 -0.00 0.02 0.14 -0.04 2.02 2.14 2dphB1 PRO 185 HG2 0.01 -0.07 0.11 -0.04 2.03 2.04 2dphB1 PRO 185 HG3 0.01 0.19 0.16 -0.04 2.03 2.36 2dphB1 PRO 185 HD2 -0.01 0.01 0.19 -0.04 3.68 3.83 2dphB1 PRO 185 HD3 0.01 0.16 0.23 -0.04 3.65 4.00 2dphB1 GLY 186 H -0.02 0.74 0.32 -0.55 8.43 8.93 2dphB1 GLY 186 HA2 -0.04 0.00 0.41 -0.51 4.01 3.87 2dphB1 GLY 186 HA3 -0.06 0.06 0.44 -0.51 4.01 3.94 2dphB1 SER 187 H -0.06 0.45 -0.16 -0.55 8.46 8.14 2dphB1 SER 187 HA -0.21 0.11 0.55 -0.75 4.49 4.19 2dphB1 SER 187 HB2 -0.04 0.06 0.10 -0.04 3.95 4.03 2dphB1 SER 187 HB3 -0.04 -0.01 -0.06 -0.04 3.93 3.78 2dphB1 HIS 188 H -0.13 0.15 0.26 -0.55 8.41 8.15 2dphB1 HIS 188 HA 0.02 0.26 1.07 -0.75 4.63 5.23 2dphB1 HIS 188 HB2 0.01 -0.20 0.29 -0.04 3.26 3.33 2dphB1 HIS 188 HB3 0.02 0.07 0.11 -0.04 3.20 3.37 2dphB1 HIS 188 HD2 0.01 -0.13 0.02 -0.04 6.97 6.82 2dphB1 HIS 188 HE1 0.00 -0.01 0.02 -0.04 7.75 7.72 2dphB1 VAL 189 H 0.13 0.85 0.37 -0.55 8.24 9.03 2dphB1 VAL 189 HA 0.07 0.25 0.93 -0.75 4.13 4.63 2dphB1 VAL 189 HB 0.04 -0.07 0.06 -0.04 2.12 2.10 2dphB1 VAL 189 HG13 -0.01 -0.00 -0.24 -0.04 0.97 0.68 2dphB1 VAL 189 HG23 0.02 0.03 -0.27 -0.04 0.95 0.69 2dphB1 TYR 190 H 0.15 0.70 0.38 -0.55 8.29 8.97 2dphB1 TYR 190 HA 0.01 0.32 0.95 -0.75 4.56 5.08 2dphB1 TYR 190 HB2 0.01 0.02 -0.01 -0.04 3.06 3.04 2dphB1 TYR 190 HB3 0.01 -0.00 0.11 -0.04 2.98 3.06 2dphB1 TYR 190 HD2 0.01 0.00 -0.18 -0.04 7.15 6.94 2dphB1 TYR 190 HE2 -0.00 -0.06 -0.23 -0.04 6.85 6.52 2dphB1 ILE 191 H -0.45 0.81 0.33 -0.55 8.25 8.40 2dphB1 ILE 191 HA -0.26 0.13 1.06 -0.75 4.18 4.35 2dphB1 ILE 191 HB -0.23 0.02 0.11 -0.04 1.89 1.74 2dphB1 ILE 191 HG12 -0.11 -0.02 -0.13 -0.04 1.49 1.18 2dphB1 ILE 191 HG13 -0.11 -0.04 -0.40 -0.04 1.21 0.61 2dphB1 ILE 191 HG23 -0.15 0.01 -0.17 -0.04 0.93 0.58 2dphB1 ILE 191 HD13 -0.12 0.02 -0.31 -0.04 0.88 0.43 2dphB1 ALA 192 H -0.23 0.71 0.37 -0.55 8.40 8.69 2dphB1 ALA 192 HA -0.24 0.10 0.92 -0.75 4.34 4.36 2dphB1 ALA 192 HB3 0.03 -0.03 0.14 -0.04 1.41 1.51 2dphB1 GLY 193 H -0.09 0.66 0.23 -0.55 8.43 8.68 2dphB1 GLY 193 HA2 -0.05 -0.11 0.43 -0.51 4.01 3.78 2dphB1 GLY 193 HA3 -0.05 0.20 0.73 -0.51 4.01 4.38 2dphB1 ALA 194 H -0.06 0.06 0.12 -0.55 8.40 7.98 2dphB1 ALA 194 HA -0.08 0.23 0.70 -0.75 4.34 4.43 2dphB1 ALA 194 HB3 -0.06 0.03 -0.15 -0.04 1.41 1.19 2dphB1 GLY 195 H -0.05 -0.02 0.01 -0.55 8.43 7.83 2dphB1 GLY 195 HA2 -0.02 0.28 0.66 -0.51 4.01 4.42 2dphB1 GLY 195 HA3 -0.01 -0.01 0.38 -0.51 4.01 3.86 2dphB1 PRO 196 HA -0.01 0.23 0.33 -0.51 4.44 4.48 2dphB1 PRO 196 HB2 -0.01 -0.13 0.05 -0.04 2.28 2.16 2dphB1 PRO 196 HB3 -0.05 0.10 0.08 -0.04 2.02 2.11 2dphB1 PRO 196 HG2 0.05 -0.02 0.14 -0.04 2.03 2.16 2dphB1 PRO 196 HG3 0.06 0.28 0.07 -0.04 2.03 2.39 2dphB1 PRO 196 HD2 0.23 -0.04 0.22 -0.04 3.68 4.06 2dphB1 PRO 196 HD3 0.21 0.28 0.21 -0.04 3.65 4.31 2dphB1 VAL 197 H 0.02 0.08 -0.23 -0.55 8.24 7.56 2dphB1 VAL 197 HA 0.01 0.12 0.50 -0.75 4.13 3.99 2dphB1 VAL 197 HB 0.01 0.05 0.02 -0.04 2.12 2.16 2dphB1 VAL 197 HG13 0.03 0.03 -0.19 -0.04 0.97 0.80 2dphB1 VAL 197 HG23 0.02 -0.02 -0.01 -0.04 0.95 0.90 2dphB1 GLY 198 H -0.02 0.06 -0.24 -0.55 8.43 7.68 2dphB1 GLY 198 HA2 -0.06 0.02 0.38 -0.51 4.01 3.83 2dphB1 GLY 198 HA3 -0.07 0.31 0.12 -0.51 4.01 3.86 2dphB1 ARG 199 H -0.05 0.49 -0.33 -0.55 8.46 8.02 2dphB1 ARG 199 HA -0.16 0.09 0.49 -0.75 4.34 3.99 2dphB1 ARG 199 HB2 -0.04 -0.01 -0.08 -0.04 1.90 1.73 2dphB1 ARG 199 HB3 -0.07 0.06 -0.11 -0.04 1.80 1.64 2dphB1 ARG 199 HG2 -0.09 -0.11 -0.09 -0.04 1.67 1.34 2dphB1 ARG 199 HG3 -0.05 0.17 -0.33 -0.04 1.67 1.41 2dphB1 ARG 199 HD2 -0.04 0.06 0.01 -0.04 3.22 3.21 2dphB1 ARG 199 HD3 -0.04 0.06 0.03 -0.04 3.22 3.23 2dphB1 CYS 200 H -0.03 0.35 -0.33 -0.55 8.50 7.94 2dphB1 CYS 200 HA 0.02 0.06 0.57 -0.75 4.58 4.48 2dphB1 CYS 200 HB2 0.01 0.12 0.15 -0.04 2.97 3.20 2dphB1 CYS 200 HB3 0.04 -0.04 -0.01 -0.04 2.97 2.92 2dphB1 ALA 201 H -0.04 0.40 -0.24 -0.55 8.40 7.98 2dphB1 ALA 201 HA 0.01 0.03 0.30 -0.75 4.34 3.92 2dphB1 ALA 201 HB3 -0.05 0.03 0.06 -0.04 1.41 1.41 2dphB1 ALA 202 H -0.15 0.44 -0.28 -0.55 8.40 7.87 2dphB1 ALA 202 HA -0.17 0.04 0.38 -0.75 4.34 3.84 2dphB1 ALA 202 HB3 -0.73 0.05 0.00 -0.04 1.41 0.70 2dphB1 ALA 203 H -0.06 0.37 -0.32 -0.55 8.40 7.84 2dphB1 ALA 203 HA 0.29 0.08 0.39 -0.75 4.34 4.35 2dphB1 ALA 203 HB3 0.23 0.02 0.02 -0.04 1.41 1.64 2dphB1 GLY 204 H 0.11 0.48 -0.37 -0.55 8.43 8.11 2dphB1 GLY 204 HA2 0.31 0.00 0.40 -0.51 4.01 4.22 2dphB1 GLY 204 HA3 0.28 0.04 0.20 -0.51 4.01 4.02 2dphB1 ALA 205 H 0.06 0.44 -0.34 -0.55 8.40 8.02 2dphB1 ALA 205 HA 0.02 0.03 0.32 -0.75 4.34 3.96 2dphB1 ALA 205 HB3 0.03 0.03 -0.01 -0.04 1.41 1.42 2dphB1 ARG 206 H 0.13 0.43 -0.25 -0.55 8.46 8.21 2dphB1 ARG 206 HA 0.00 0.11 0.46 -0.75 4.34 4.15 2dphB1 ARG 206 HB2 -0.00 0.04 0.06 -0.04 1.90 1.96 2dphB1 ARG 206 HB3 -0.24 0.05 0.10 -0.04 1.80 1.66 2dphB1 ARG 206 HG2 -0.36 0.01 -0.21 -0.04 1.67 1.06 2dphB1 ARG 206 HG3 -0.23 0.03 0.02 -0.04 1.67 1.45 2dphB1 ARG 206 HD2 -1.66 -0.08 -0.02 -0.04 3.22 1.42 2dphB1 ARG 206 HD3 -0.61 -0.03 -0.02 -0.04 3.22 2.53 2dphB1 LEU 207 H 0.20 0.43 -0.18 -0.55 8.37 8.27 2dphB1 LEU 207 HA 0.21 0.07 0.43 -0.75 4.35 4.31 2dphB1 LEU 207 HB2 0.30 -0.01 0.08 -0.04 1.64 1.98 2dphB1 LEU 207 HB3 0.26 0.09 0.09 -0.04 1.64 2.04 2dphB1 LEU 207 HG 0.16 0.03 -0.18 -0.04 1.64 1.61 2dphB1 LEU 207 HD13 0.12 -0.01 -0.04 -0.04 0.93 0.96 2dphB1 LEU 207 HD23 0.02 -0.03 -0.09 -0.04 0.89 0.75 2dphB1 LEU 208 H 0.15 0.34 -0.46 -0.55 8.37 7.86 2dphB1 LEU 208 HA 0.13 0.02 0.41 -0.75 4.35 4.15 2dphB1 LEU 208 HB2 0.04 0.05 -0.02 -0.04 1.64 1.67 2dphB1 LEU 208 HB3 0.01 -0.04 -0.24 -0.04 1.64 1.33 2dphB1 LEU 208 HG 0.25 -0.03 -0.07 -0.04 1.64 1.75 2dphB1 LEU 208 HD13 -0.30 -0.01 -0.24 -0.04 0.93 0.34 2dphB1 LEU 208 HD23 -0.03 0.03 -0.03 -0.04 0.89 0.82 2dphB1 GLY 209 H 0.06 0.34 -0.56 -0.55 8.43 7.73 2dphB1 GLY 209 HA2 0.02 0.11 0.25 -0.51 4.01 3.88 2dphB1 GLY 209 HA3 0.02 0.02 0.53 -0.51 4.01 4.07 2dphB1 ALA 210 H 0.02 0.46 -0.04 -0.55 8.40 8.30 2dphB1 ALA 210 HA -0.01 -0.10 0.46 -0.75 4.34 3.94 2dphB1 ALA 210 HB3 0.03 -0.00 -0.17 -0.04 1.41 1.23 2dphB1 ALA 211 H -0.00 0.28 0.06 -0.55 8.40 8.19 2dphB1 ALA 211 HA 0.03 0.09 0.54 -0.75 4.34 4.24 2dphB1 ALA 211 HB3 0.08 -0.01 0.05 -0.04 1.41 1.48 2dphB1 CYS 212 H 0.23 0.35 0.17 -0.55 8.50 8.69 2dphB1 CYS 212 HA 0.07 0.20 0.91 -0.75 4.58 5.00 2dphB1 CYS 212 HB2 0.05 0.06 -0.04 -0.04 2.97 3.00 2dphB1 CYS 212 HB3 0.12 -0.10 0.18 -0.04 2.97 3.13 2dphB1 VAL 213 H 0.09 0.27 0.05 -0.55 8.24 8.11 2dphB1 VAL 213 HA 0.09 0.17 0.97 -0.75 4.13 4.61 2dphB1 VAL 213 HB 0.36 -0.00 0.11 -0.04 2.12 2.55 2dphB1 VAL 213 HG13 0.05 -0.00 -0.16 -0.04 0.97 0.82 2dphB1 VAL 213 HG23 0.12 0.02 -0.32 -0.04 0.95 0.73 2dphB1 ILE 214 H 0.10 0.83 0.30 -0.55 8.25 8.92 2dphB1 ILE 214 HA 0.10 0.28 0.90 -0.75 4.18 4.70 2dphB1 ILE 214 HB 0.25 -0.03 0.10 -0.04 1.89 2.17 2dphB1 ILE 214 HG12 0.07 0.01 -0.18 -0.04 1.49 1.35 2dphB1 ILE 214 HG13 0.09 -0.06 -0.31 -0.04 1.21 0.90 2dphB1 ILE 214 HG23 0.16 -0.03 -0.31 -0.04 0.93 0.72 2dphB1 ILE 214 HD13 0.05 -0.00 -0.12 -0.04 0.88 0.77 2dphB1 VAL 215 H 0.04 0.74 0.34 -0.55 8.24 8.81 2dphB1 VAL 215 HA -0.23 0.23 1.10 -0.75 4.13 4.47 2dphB1 VAL 215 HB -0.07 -0.02 0.05 -0.04 2.12 2.03 2dphB1 VAL 215 HG13 -0.14 -0.02 -0.23 -0.04 0.97 0.55 2dphB1 VAL 215 HG23 -0.18 0.01 -0.20 -0.04 0.95 0.55 2dphB1 GLY 216 H -0.27 0.67 0.34 -0.55 8.43 8.61 2dphB1 GLY 216 HA2 0.10 0.27 1.04 -0.51 4.01 4.91 2dphB1 GLY 216 HA3 0.23 -0.02 0.33 -0.51 4.01 4.05 2dphB1 ASP 217 H 0.03 0.67 0.35 -0.55 8.40 8.91 2dphB1 ASP 217 HA -0.00 0.02 0.46 -0.75 4.63 4.35 2dphB1 ASP 217 HB2 -0.04 0.10 -0.25 -0.04 2.71 2.48 2dphB1 ASP 217 HB3 -0.02 0.16 -0.07 -0.04 2.70 2.73 2dphB1 GLN 218 H -0.03 0.19 0.17 -0.55 8.47 8.25 2dphB1 GLN 218 HA -0.01 -0.06 0.66 -0.75 4.36 4.19 2dphB1 GLN 218 HB2 -0.07 0.01 0.11 -0.04 2.15 2.16 2dphB1 GLN 218 HB3 -0.04 0.06 0.03 -0.04 2.02 2.03 2dphB1 GLN 218 HG2 -0.00 0.19 0.03 -0.04 2.40 2.58 2dphB1 GLN 218 HG3 0.01 -0.12 -0.12 -0.04 2.39 2.12 2dphB1 GLN 218 HE21 0.06 -0.05 -0.10 -0.04 6.97 6.83 2dphB1 GLN 218 HE22 0.05 0.28 -0.05 -0.04 7.69 7.93 2dphB1 ASN 219 H -0.05 -0.02 -0.05 -0.55 8.53 7.86 2dphB1 ASN 219 HA -0.04 0.21 0.57 -0.75 4.76 4.75 2dphB1 ASN 219 HB2 -0.08 0.03 0.11 -0.04 2.88 2.90 2dphB1 ASN 219 HB3 -0.06 -0.07 0.13 -0.04 2.79 2.75 2dphB1 ASN 219 HD21 -0.07 0.43 0.14 -0.04 7.03 7.50 2dphB1 ASN 219 HD22 -0.09 -0.06 0.06 -0.04 7.74 7.61 2dphB1 PRO 220 HA -0.01 0.10 0.38 -0.51 4.44 4.41 2dphB1 PRO 220 HB2 -0.00 0.06 -0.00 -0.04 2.28 2.29 2dphB1 PRO 220 HB3 -0.01 0.04 0.09 -0.04 2.02 2.11 2dphB1 PRO 220 HG2 -0.01 0.02 0.10 -0.04 2.03 2.11 2dphB1 PRO 220 HG3 -0.01 0.08 0.11 -0.04 2.03 2.17 2dphB1 PRO 220 HD2 -0.03 0.08 0.27 -0.04 3.68 3.97 2dphB1 PRO 220 HD3 -0.02 0.41 0.39 -0.04 3.65 4.39 2dphB1 GLU 221 H -0.02 0.16 -0.06 -0.55 8.60 8.14 2dphB1 GLU 221 HA -0.01 0.12 0.46 -0.75 4.29 4.11 2dphB1 GLU 221 HB2 -0.02 0.03 0.10 -0.04 2.09 2.16 2dphB1 GLU 221 HB3 -0.01 0.08 0.00 -0.04 1.99 2.01 2dphB1 GLU 221 HG2 -0.01 0.03 0.03 -0.04 2.34 2.35 2dphB1 GLU 221 HG3 -0.01 -0.07 0.02 -0.04 2.34 2.24 2dphB1 ARG 222 H -0.03 0.04 -0.21 -0.55 8.46 7.71 2dphB1 ARG 222 HA -0.03 0.19 0.58 -0.75 4.34 4.32 2dphB1 ARG 222 HB2 -0.04 -0.08 0.02 -0.04 1.90 1.75 2dphB1 ARG 222 HB3 -0.04 0.34 0.01 -0.04 1.80 2.06 2dphB1 ARG 222 HG2 -0.04 0.08 0.01 -0.04 1.67 1.68 2dphB1 ARG 222 HG3 -0.05 -0.04 -0.06 -0.04 1.67 1.48 2dphB1 ARG 222 HD2 -0.08 -0.14 -0.06 -0.04 3.22 2.89 2dphB1 ARG 222 HD3 -0.07 -0.04 -0.19 -0.04 3.22 2.88 2dphB1 LEU 223 H -0.02 0.23 -0.30 -0.55 8.37 7.73 2dphB1 LEU 223 HA -0.02 0.08 0.40 -0.75 4.35 4.05 2dphB1 LEU 223 HB2 -0.00 0.07 0.09 -0.04 1.64 1.75 2dphB1 LEU 223 HB3 0.01 -0.02 -0.09 -0.04 1.64 1.49 2dphB1 LEU 223 HG -0.02 0.04 -0.08 -0.04 1.64 1.55 2dphB1 LEU 223 HD13 0.01 0.01 -0.16 -0.04 0.93 0.74 2dphB1 LEU 223 HD23 -0.01 -0.03 -0.19 -0.04 0.89 0.62 2dphB1 LYS 224 H -0.00 0.34 -0.30 -0.55 8.42 7.91 2dphB1 LYS 224 HA 0.02 -0.01 0.38 -0.75 4.32 3.95 2dphB1 LYS 224 HB2 0.00 0.09 0.15 -0.04 1.87 2.07 2dphB1 LYS 224 HB3 0.00 0.13 0.09 -0.04 1.79 1.98 2dphB1 LYS 224 HG2 0.01 0.01 -0.06 -0.04 1.46 1.38 2dphB1 LYS 224 HG3 0.01 -0.03 0.03 -0.04 1.46 1.43 2dphB1 LYS 224 HD2 0.00 -0.04 -0.01 -0.04 1.69 1.60 2dphB1 LYS 224 HD3 0.00 0.03 -0.02 -0.04 1.68 1.65 2dphB1 LYS 224 HE2 0.01 -0.01 -0.01 -0.04 2.99 2.94 2dphB1 LYS 224 HE3 0.00 -0.03 -0.02 -0.04 2.99 2.91 2dphB1 LEU 225 H 0.00 0.31 -0.31 -0.55 8.37 7.83 2dphB1 LEU 225 HA 0.02 0.04 0.45 -0.75 4.35 4.11 2dphB1 LEU 225 HB2 -0.01 0.19 0.12 -0.04 1.64 1.90 2dphB1 LEU 225 HB3 0.01 0.10 0.06 -0.04 1.64 1.76 2dphB1 LEU 225 HG -0.01 0.03 0.12 -0.04 1.64 1.74 2dphB1 LEU 225 HD13 -0.03 0.05 0.01 -0.04 0.93 0.92 2dphB1 LEU 225 HD23 -0.01 -0.03 -0.00 -0.04 0.89 0.81 2dphB1 LEU 226 H 0.02 0.25 -0.43 -0.55 8.37 7.67 2dphB1 LEU 226 HA 0.16 0.10 0.47 -0.75 4.35 4.32 2dphB1 LEU 226 HB2 0.01 0.14 0.11 -0.04 1.64 1.85 2dphB1 LEU 226 HB3 0.02 -0.04 -0.09 -0.04 1.64 1.49 2dphB1 LEU 226 HG -0.07 0.07 -0.04 -0.04 1.64 1.56 2dphB1 LEU 226 HD13 -0.11 -0.03 -0.07 -0.04 0.93 0.67 2dphB1 LEU 226 HD23 -0.44 -0.02 -0.03 -0.04 0.89 0.37 2dphB1 SER 227 H 0.06 0.46 0.04 -0.55 8.46 8.47 2dphB1 SER 227 HA 0.10 0.34 0.40 -0.75 4.49 4.57 2dphB1 SER 227 HB2 0.04 -0.01 0.07 -0.04 3.95 4.00 2dphB1 SER 227 HB3 0.05 -0.05 0.03 -0.04 3.93 3.92 2dphB1 ASP 228 H 0.05 0.53 -0.27 -0.55 8.40 8.17 2dphB1 ASP 228 HA 0.02 0.02 0.55 -0.75 4.63 4.47 2dphB1 ASP 228 HB2 0.04 0.19 0.06 -0.04 2.71 2.96 2dphB1 ASP 228 HB3 0.03 -0.06 0.03 -0.04 2.70 2.66 2dphB1 ALA 229 H 0.11 0.35 -0.57 -0.55 8.40 7.75 2dphB1 ALA 229 HA 0.03 0.12 0.80 -0.75 4.34 4.53 2dphB1 ALA 229 HB3 0.19 -0.00 0.08 -0.04 1.41 1.64 2dphB1 GLY 230 H -0.01 0.33 -0.38 -0.55 8.43 7.81 2dphB1 GLY 230 HA2 -0.08 0.00 0.27 -0.51 4.01 3.69 2dphB1 GLY 230 HA3 -0.21 0.07 0.46 -0.51 4.01 3.81 2dphB1 PHE 231 H 0.07 0.33 -0.19 -0.55 8.34 8.00 2dphB1 PHE 231 HA -0.02 0.12 0.62 -0.75 4.62 4.58 2dphB1 PHE 231 HB2 -0.01 -0.06 -0.25 -0.04 3.15 2.78 2dphB1 PHE 231 HB3 -0.02 0.05 -0.02 -0.04 3.06 3.03 2dphB1 PHE 231 HD2 -0.03 0.10 -0.00 -0.04 7.28 7.31 2dphB1 PHE 231 HE2 -0.05 0.01 -0.07 -0.04 7.38 7.22 2dphB1 PHE 231 HZ -0.20 -0.08 -0.19 -0.04 7.32 6.81 2dphB1 GLU 232 H 0.17 0.46 0.30 -0.55 8.60 8.98 2dphB1 GLU 232 HA 0.06 0.12 0.79 -0.75 4.29 4.51 2dphB1 GLU 232 HB2 0.08 -0.02 0.03 -0.04 2.09 2.14 2dphB1 GLU 232 HB3 0.05 -0.02 0.03 -0.04 1.99 2.01 2dphB1 GLU 232 HG2 0.04 0.04 -0.00 -0.04 2.34 2.38 2dphB1 GLU 232 HG3 0.03 -0.02 -0.04 -0.04 2.34 2.27 2dphB1 THR 233 H 0.05 0.21 0.20 -0.55 8.28 8.19 2dphB1 THR 233 HA 0.06 0.30 1.12 -0.75 4.39 5.11 2dphB1 THR 233 HB 0.03 -0.05 -0.00 -0.04 4.32 4.26 2dphB1 THR 233 HG23 0.04 0.06 -0.23 -0.04 1.22 1.05 2dphB1 ILE 234 H 0.07 0.63 0.32 -0.55 8.25 8.72 2dphB1 ILE 234 HA 0.04 0.15 0.79 -0.75 4.18 4.40 2dphB1 ILE 234 HB 0.15 -0.06 -0.03 -0.04 1.89 1.91 2dphB1 ILE 234 HG12 0.03 0.08 -0.10 -0.04 1.49 1.46 2dphB1 ILE 234 HG13 0.08 -0.01 -0.57 -0.04 1.21 0.67 2dphB1 ILE 234 HG23 0.03 -0.03 -0.27 -0.04 0.93 0.62 2dphB1 ILE 234 HD13 0.01 -0.00 -0.27 -0.04 0.88 0.58 2dphB1 ASP 235 H 0.02 0.20 0.09 -0.55 8.40 8.16 2dphB1 ASP 235 HA 0.02 0.29 0.80 -0.75 4.63 4.98 2dphB1 ASP 235 HB2 0.01 0.07 0.11 -0.04 2.71 2.86 2dphB1 ASP 235 HB3 0.01 -0.04 0.21 -0.04 2.70 2.83 2dphB1 LEU 236 H 0.02 0.44 0.06 -0.55 8.37 8.34 2dphB1 LEU 236 HA 0.03 0.17 0.35 -0.75 4.35 4.14 2dphB1 LEU 236 HB2 0.03 -0.05 -0.15 -0.04 1.64 1.43 2dphB1 LEU 236 HB3 0.04 0.02 0.10 -0.04 1.64 1.76 2dphB1 LEU 236 HG 0.07 0.05 -0.08 -0.04 1.64 1.63 2dphB1 LEU 236 HD13 0.09 -0.02 -0.18 -0.04 0.93 0.78 2dphB1 LEU 236 HD23 0.08 0.02 -0.14 -0.04 0.89 0.81 2dphB1 ARG 237 H 0.01 0.06 -0.31 -0.55 8.46 7.66 2dphB1 ARG 237 HA 0.01 0.21 0.78 -0.75 4.34 4.59 2dphB1 ARG 237 HB2 0.00 -0.02 0.03 -0.04 1.90 1.87 2dphB1 ARG 237 HB3 0.01 0.02 0.05 -0.04 1.80 1.83 2dphB1 ARG 237 HG2 0.00 0.02 0.03 -0.04 1.67 1.68 2dphB1 ARG 237 HG3 -0.00 -0.11 0.07 -0.04 1.67 1.59 2dphB1 ARG 237 HD2 -0.00 -0.02 0.02 -0.04 3.22 3.17 2dphB1 ARG 237 HD3 -0.01 0.06 0.05 -0.04 3.22 3.27 2dphB1 ASN 238 H 0.01 0.25 -0.13 -0.55 8.53 8.11 2dphB1 ASN 238 HA 0.01 -0.00 0.47 -0.75 4.76 4.48 2dphB1 ASN 238 HB2 0.01 0.23 0.15 -0.04 2.88 3.23 2dphB1 ASN 238 HB3 0.00 -0.09 -0.02 -0.04 2.79 2.64 2dphB1 ASN 238 HD21 0.01 -0.01 0.07 -0.04 7.03 7.06 2dphB1 ASN 238 HD22 0.01 0.14 0.15 -0.04 7.74 8.00 2dphB1 SER 239 H 0.00 0.08 0.17 -0.55 8.46 8.17 2dphB1 SER 239 HA 0.01 0.10 0.53 -0.75 4.49 4.37 2dphB1 SER 239 HB2 0.00 0.00 0.05 -0.04 3.95 3.97 2dphB1 SER 239 HB3 0.01 -0.01 0.09 -0.04 3.93 3.98 2dphB1 ALA 240 H 0.00 -0.05 -0.07 -0.55 8.40 7.73 2dphB1 ALA 240 HA -0.00 0.10 0.50 -0.75 4.34 4.18 2dphB1 ALA 240 HB3 -0.00 0.01 0.01 -0.04 1.41 1.38 2dphB1 PRO 241 HA -0.01 0.09 0.36 -0.51 4.44 4.37 2dphB1 PRO 241 HB2 -0.02 -0.16 0.05 -0.04 2.28 2.11 2dphB1 PRO 241 HB3 -0.01 0.07 0.11 -0.04 2.02 2.15 2dphB1 PRO 241 HG2 -0.01 0.06 0.09 -0.04 2.03 2.13 2dphB1 PRO 241 HG3 -0.00 0.10 0.10 -0.04 2.03 2.19 2dphB1 PRO 241 HD2 -0.01 0.07 0.17 -0.04 3.68 3.87 2dphB1 PRO 241 HD3 -0.00 0.16 0.24 -0.04 3.65 4.01 2dphB1 LEU 242 H -0.03 0.17 0.14 -0.55 8.37 8.10 2dphB1 LEU 242 HA -0.07 0.09 0.33 -0.75 4.35 3.96 2dphB1 LEU 242 HB2 -0.07 0.02 0.10 -0.04 1.64 1.65 2dphB1 LEU 242 HB3 -0.11 0.02 0.08 -0.04 1.64 1.59 2dphB1 LEU 242 HG -0.37 0.06 -0.18 -0.04 1.64 1.11 2dphB1 LEU 242 HD13 -0.17 -0.01 -0.06 -0.04 0.93 0.64 2dphB1 LEU 242 HD23 -0.29 0.02 -0.07 -0.04 0.89 0.50 2dphB1 ARG 243 H -0.06 0.06 -0.20 -0.55 8.46 7.72 2dphB1 ARG 243 HA -0.08 0.25 0.43 -0.75 4.34 4.19 2dphB1 ARG 243 HB2 -0.03 -0.13 0.04 -0.04 1.90 1.73 2dphB1 ARG 243 HB3 -0.03 0.06 0.01 -0.04 1.80 1.80 2dphB1 ARG 243 HG2 -0.04 0.28 0.02 -0.04 1.67 1.89 2dphB1 ARG 243 HG3 -0.04 -0.16 -0.04 -0.04 1.67 1.39 2dphB1 ARG 243 HD2 -0.01 0.15 -0.05 -0.04 3.22 3.27 2dphB1 ARG 243 HD3 -0.01 -0.12 -0.02 -0.04 3.22 3.03 2dphB1 ASP 244 H -0.03 0.12 -0.29 -0.55 8.40 7.65 2dphB1 ASP 244 HA -0.02 0.08 0.42 -0.75 4.63 4.35 2dphB1 ASP 244 HB2 -0.02 0.14 0.03 -0.04 2.71 2.82 2dphB1 ASP 244 HB3 -0.01 0.00 -0.04 -0.04 2.70 2.61 2dphB1 GLN 245 H -0.04 0.40 -0.23 -0.55 8.47 8.05 2dphB1 GLN 245 HA -0.02 0.03 0.41 -0.75 4.36 4.04 2dphB1 GLN 245 HB2 -0.04 0.08 0.02 -0.04 2.15 2.18 2dphB1 GLN 245 HB3 -0.01 -0.03 -0.01 -0.04 2.02 1.93 2dphB1 GLN 245 HG2 -0.01 -0.07 -0.10 -0.04 2.40 2.18 2dphB1 GLN 245 HG3 -0.02 0.21 -0.26 -0.04 2.39 2.28 2dphB1 GLN 245 HE21 0.00 -0.01 -0.14 -0.04 6.97 6.79 2dphB1 GLN 245 HE22 -0.02 0.08 -0.34 -0.04 7.69 7.37 2dphB1 ILE 246 H -0.06 0.56 -0.18 -0.55 8.25 8.02 2dphB1 ILE 246 HA -0.02 0.02 0.50 -0.75 4.18 3.92 2dphB1 ILE 246 HB -0.08 0.14 0.08 -0.04 1.89 1.99 2dphB1 ILE 246 HG12 -0.06 -0.04 -0.10 -0.04 1.49 1.24 2dphB1 ILE 246 HG13 -0.16 -0.02 -0.07 -0.04 1.21 0.92 2dphB1 ILE 246 HG23 -0.04 0.05 -0.26 -0.04 0.93 0.64 2dphB1 ILE 246 HD13 -0.36 -0.02 -0.17 -0.04 0.88 0.29 2dphB1 ASP 247 H -0.04 0.48 -0.20 -0.55 8.40 8.09 2dphB1 ASP 247 HA -0.03 0.06 0.04 -0.75 4.63 3.94 2dphB1 ASP 247 HB2 -0.03 0.14 0.03 -0.04 2.71 2.81 2dphB1 ASP 247 HB3 -0.02 0.09 0.00 -0.04 2.70 2.73 2dphB1 GLN 248 H -0.02 0.35 -0.42 -0.55 8.47 7.83 2dphB1 GLN 248 HA -0.01 0.04 0.45 -0.75 4.36 4.08 2dphB1 GLN 248 HB2 -0.01 0.00 0.07 -0.04 2.15 2.17 2dphB1 GLN 248 HB3 -0.01 0.11 0.05 -0.04 2.02 2.13 2dphB1 GLN 248 HG2 -0.01 0.02 -0.08 -0.04 2.40 2.29 2dphB1 GLN 248 HG3 -0.01 -0.02 0.05 -0.04 2.39 2.37 2dphB1 GLN 248 HE21 -0.00 -0.06 -0.02 -0.04 6.97 6.85 2dphB1 GLN 248 HE22 -0.01 0.01 -0.01 -0.04 7.69 7.65 2dphB1 ILE 249 H -0.02 0.26 -0.27 -0.55 8.25 7.68 2dphB1 ILE 249 HA -0.01 0.08 0.64 -0.75 4.18 4.14 2dphB1 ILE 249 HB -0.00 0.06 0.15 -0.04 1.89 2.06 2dphB1 ILE 249 HG12 0.01 -0.03 0.02 -0.04 1.49 1.45 2dphB1 ILE 249 HG13 0.00 -0.00 -0.01 -0.04 1.21 1.16 2dphB1 ILE 249 HG23 0.01 -0.02 -0.14 -0.04 0.93 0.73 2dphB1 ILE 249 HD13 0.03 -0.00 -0.09 -0.04 0.88 0.78 2dphB1 LEU 250 H -0.04 0.64 0.06 -0.55 8.37 8.48 2dphB1 LEU 250 HA -0.09 0.12 0.40 -0.75 4.35 4.03 2dphB1 LEU 250 HB2 -0.09 -0.07 0.00 -0.04 1.64 1.45 2dphB1 LEU 250 HB3 -0.08 0.18 0.08 -0.04 1.64 1.79 2dphB1 LEU 250 HG -0.22 -0.08 -0.13 -0.04 1.64 1.16 2dphB1 LEU 250 HD13 -0.68 -0.01 0.04 -0.04 0.93 0.24 2dphB1 LEU 250 HD23 -0.12 0.02 -0.06 -0.04 0.89 0.69 2dphB1 GLY 251 H -0.04 0.39 -0.01 -0.55 8.43 8.21 2dphB1 GLY 251 HA2 -0.03 0.04 0.34 -0.51 4.01 3.85 2dphB1 GLY 251 HA3 -0.04 0.14 0.81 -0.51 4.01 4.41 2dphB1 LYS 252 H -0.07 0.15 -0.17 -0.55 8.42 7.78 2dphB1 LYS 252 HA -0.02 0.18 0.73 -0.75 4.32 4.45 2dphB1 LYS 252 HB2 -0.05 0.02 -0.06 -0.04 1.87 1.74 2dphB1 LYS 252 HB3 -0.02 -0.03 -0.01 -0.04 1.79 1.69 2dphB1 LYS 252 HG2 0.00 -0.01 0.00 -0.04 1.46 1.41 2dphB1 LYS 252 HG3 -0.01 -0.01 0.12 -0.04 1.46 1.52 2dphB1 LYS 252 HD2 -0.02 0.20 -0.25 -0.04 1.69 1.58 2dphB1 LYS 252 HD3 -0.01 -0.00 -0.11 -0.04 1.68 1.51 2dphB1 LYS 252 HE2 0.01 -0.03 -0.01 -0.04 2.99 2.92 2dphB1 LYS 252 HE3 -0.00 -0.02 0.02 -0.04 2.99 2.95 2dphB1 PRO 253 HA -0.03 0.18 0.55 -0.51 4.44 4.63 2dphB1 PRO 253 HB2 -0.02 -0.03 0.04 -0.04 2.28 2.23 2dphB1 PRO 253 HB3 -0.02 -0.03 -0.01 -0.04 2.02 1.92 2dphB1 PRO 253 HG2 -0.01 0.07 -0.05 -0.04 2.03 1.99 2dphB1 PRO 253 HG3 -0.01 0.00 0.01 -0.04 2.03 1.99 2dphB1 PRO 253 HD2 -0.01 0.12 0.17 -0.04 3.68 3.91 2dphB1 PRO 253 HD3 -0.02 0.15 0.13 -0.04 3.65 3.87 2dphB1 GLU 254 H -0.01 0.09 -0.46 -0.55 8.60 7.67 2dphB1 GLU 254 HA -0.01 0.30 0.90 -0.75 4.29 4.73 2dphB1 GLU 254 HB2 0.00 -0.12 -0.07 -0.04 2.09 1.86 2dphB1 GLU 254 HB3 0.01 0.04 -0.08 -0.04 1.99 1.92 2dphB1 GLU 254 HG2 -0.00 0.20 -0.27 -0.04 2.34 2.23 2dphB1 GLU 254 HG3 -0.01 -0.07 -0.42 -0.04 2.34 1.80 2dphB1 VAL 255 H 0.03 0.61 0.27 -0.55 8.24 8.60 2dphB1 VAL 255 HA 0.09 0.16 0.88 -0.75 4.13 4.51 2dphB1 VAL 255 HB 0.11 0.15 -0.07 -0.04 2.12 2.28 2dphB1 VAL 255 HG13 0.08 -0.01 -0.34 -0.04 0.97 0.66 2dphB1 VAL 255 HG23 0.10 -0.00 -0.19 -0.04 0.95 0.82 2dphB1 ASP 256 H 0.10 0.23 0.32 -0.55 8.40 8.50 2dphB1 ASP 256 HA 0.02 0.07 0.63 -0.75 4.63 4.59 2dphB1 ASP 256 HB2 -0.01 0.02 0.22 -0.04 2.71 2.90 2dphB1 ASP 256 HB3 -0.02 0.08 0.12 -0.04 2.70 2.83 2dphB1 CYS 257 H 0.05 0.34 0.20 -0.55 8.50 8.55 2dphB1 CYS 257 HA 0.02 0.38 1.11 -0.75 4.58 5.33 2dphB1 CYS 257 HB2 0.01 -0.16 -0.01 -0.04 2.97 2.76 2dphB1 CYS 257 HB3 -0.01 0.06 -0.06 -0.04 2.97 2.92 2dphB1 GLY 258 H 0.04 0.68 0.48 -0.55 8.43 9.08 2dphB1 GLY 258 HA2 0.09 0.30 1.09 -0.51 4.01 4.99 2dphB1 GLY 258 HA3 0.09 -0.05 0.40 -0.51 4.01 3.94 2dphB1 VAL 259 H -0.03 0.55 0.41 -0.55 8.24 8.62 2dphB1 VAL 259 HA -0.01 0.34 1.02 -0.75 4.13 4.72 2dphB1 VAL 259 HB -0.08 -0.07 0.09 -0.04 2.12 2.02 2dphB1 VAL 259 HG13 -0.04 -0.02 -0.21 -0.04 0.97 0.66 2dphB1 VAL 259 HG23 -0.05 0.06 -0.36 -0.04 0.95 0.56 2dphB1 ASP 260 H 0.03 0.81 0.33 -0.55 8.40 9.03 2dphB1 ASP 260 HA 0.02 0.08 0.89 -0.75 4.63 4.87 2dphB1 ASP 260 HB2 0.05 0.09 0.04 -0.04 2.71 2.85 2dphB1 ASP 260 HB3 0.11 0.04 0.32 -0.04 2.70 3.13 2dphB1 ALA 261 H -0.02 0.73 0.21 -0.55 8.40 8.77 2dphB1 ALA 261 HA 0.03 0.07 0.76 -0.75 4.34 4.44 2dphB1 ALA 261 HB3 -0.03 0.02 -0.01 -0.04 1.41 1.36 2dphB1 VAL 262 H 0.05 0.04 -0.40 -0.55 8.24 7.38 2dphB1 VAL 262 HA -0.01 0.18 0.95 -0.75 4.13 4.50 2dphB1 VAL 262 HB 0.05 -0.10 0.11 -0.04 2.12 2.14 2dphB1 VAL 262 HG13 0.01 0.02 -0.13 -0.04 0.97 0.83 2dphB1 VAL 262 HG23 0.01 0.02 -0.25 -0.04 0.95 0.70 2dphB1 GLY 263 H -0.00 0.06 0.03 -0.55 8.43 7.97 2dphB1 GLY 263 HA2 -0.79 0.16 0.03 -0.51 4.01 2.90 2dphB1 GLY 263 HA3 -0.19 0.13 0.78 -0.51 4.01 4.22 2dphB1 PHE 264 H -0.12 0.44 0.26 -0.55 8.34 8.36 2dphB1 PHE 264 HA -0.06 0.10 0.35 -0.75 4.62 4.26 2dphB1 PHE 264 HB2 -0.01 0.01 0.18 -0.04 3.15 3.29 2dphB1 PHE 264 HB3 -0.14 -0.03 0.24 -0.04 3.06 3.09 2dphB1 PHE 264 HD2 -0.20 0.14 -0.01 -0.04 7.28 7.16 2dphB1 PHE 264 HE2 -0.43 0.01 -0.04 -0.04 7.38 6.88 2dphB1 PHE 264 HZ -0.13 0.02 -0.15 -0.04 7.32 7.02 2dphB1 GLU 265 H -0.47 0.09 -0.35 -0.55 8.60 7.33 2dphB1 GLU 265 HA -0.15 0.19 0.74 -0.75 4.29 4.31 2dphB1 GLU 265 HB2 -0.13 -0.02 0.03 -0.04 2.09 1.93 2dphB1 GLU 265 HB3 -0.07 0.05 0.15 -0.04 1.99 2.08 2dphB1 GLU 265 HG2 -0.33 0.07 -0.06 -0.04 2.34 1.98 2dphB1 GLU 265 HG3 -0.93 -0.08 -0.05 -0.04 2.34 1.23 2dphB1 ALA 266 H -0.01 0.15 -0.63 -0.55 8.40 7.36 2dphB1 ALA 266 HA 0.07 0.01 0.37 -0.75 4.34 4.04 2dphB1 ALA 266 HB3 0.07 0.04 0.07 -0.04 1.41 1.55 2dphB1 HIS 267 H 0.17 0.07 0.18 -0.55 8.41 8.28 2dphB1 HIS 267 HA 0.01 0.17 1.01 -0.75 4.63 5.07 2dphB1 HIS 267 HB2 -0.01 -0.16 0.09 -0.04 3.26 3.15 2dphB1 HIS 267 HB3 0.00 0.18 0.03 -0.04 3.20 3.37 2dphB1 HIS 267 HD2 -0.00 -0.09 -0.54 -0.04 6.97 6.29 2dphB1 HIS 267 HE1 -0.02 0.01 -0.08 -0.04 7.75 7.61 2dphB1 GLY 268 H 0.07 0.64 0.20 -0.55 8.43 8.79 2dphB1 GLY 268 HA2 0.04 -0.01 0.43 -0.51 4.01 3.96 2dphB1 GLY 268 HA3 0.04 0.01 0.26 -0.51 4.01 3.81 2dphB1 LEU 269 H 0.03 0.11 0.10 -0.55 8.37 8.07 2dphB1 LEU 269 HA 0.04 0.31 0.88 -0.75 4.35 4.83 2dphB1 LEU 269 HB2 0.02 -0.07 0.08 -0.04 1.64 1.63 2dphB1 LEU 269 HB3 0.02 0.11 0.02 -0.04 1.64 1.74 2dphB1 LEU 269 HG 0.04 0.04 -0.02 -0.04 1.64 1.66 2dphB1 LEU 269 HD13 0.04 -0.01 -0.20 -0.04 0.93 0.72 2dphB1 LEU 269 HD23 0.01 -0.00 -0.01 -0.04 0.89 0.85 2dphB1 GLY 270 H 0.02 0.83 0.24 -0.55 8.43 8.97 2dphB1 GLY 270 HA2 0.01 0.32 -0.11 -0.51 4.01 3.73 2dphB1 GLY 270 HA3 0.02 -0.04 0.46 -0.51 4.01 3.94 2dphB1 ASP 271 H 0.02 0.18 0.19 -0.55 8.40 8.24 2dphB1 ASP 271 HA 0.02 0.14 0.59 -0.75 4.63 4.63 2dphB1 ASP 271 HB2 0.02 0.01 0.14 -0.04 2.71 2.84 2dphB1 ASP 271 HB3 0.01 0.02 0.11 -0.04 2.70 2.81 2dphB1 GLU 272 H 0.03 0.40 -0.57 -0.55 8.60 7.91 2dphB1 GLU 272 HA 0.03 0.17 0.71 -0.75 4.29 4.44 2dphB1 GLU 272 HB2 0.03 0.06 -0.01 -0.04 2.09 2.13 2dphB1 GLU 272 HB3 0.03 -0.04 0.13 -0.04 1.99 2.07 2dphB1 GLU 272 HG2 0.02 -0.01 -0.04 -0.04 2.34 2.27 2dphB1 GLU 272 HG3 0.02 -0.02 0.03 -0.04 2.34 2.33 2dphB1 ALA 273 H 0.04 0.38 -0.66 -0.55 8.40 7.61 2dphB1 ALA 273 HA 0.08 0.34 0.08 -0.75 4.34 4.08 2dphB1 ALA 273 HB3 0.02 0.01 0.01 -0.04 1.41 1.41 2dphB1 ASN 274 H 0.07 0.11 -0.53 -0.55 8.53 7.63 2dphB1 ASN 274 HA 0.16 0.19 0.75 -0.75 4.76 5.10 2dphB1 ASN 274 HB2 0.05 0.02 -0.03 -0.04 2.88 2.87 2dphB1 ASN 274 HB3 0.06 0.01 0.11 -0.04 2.79 2.93 2dphB1 ASN 274 HD21 0.01 0.01 -0.08 -0.04 7.03 6.93 2dphB1 ASN 274 HD22 0.03 0.01 -0.08 -0.04 7.74 7.66 2dphB1 THR 275 H 0.10 0.48 -0.31 -0.55 8.28 8.01 2dphB1 THR 275 HA -0.01 0.15 0.90 -0.75 4.39 4.68 2dphB1 THR 275 HB 0.01 -0.02 0.12 -0.04 4.32 4.39 2dphB1 THR 275 HG23 -0.02 0.04 -0.05 -0.04 1.22 1.15 2dphB1 GLU 276 H -0.20 0.17 0.12 -0.55 8.60 8.14 2dphB1 GLU 276 HA -0.73 0.19 0.68 -0.75 4.29 3.68 2dphB1 GLU 276 HB2 -0.32 0.02 0.09 -0.04 2.09 1.84 2dphB1 GLU 276 HB3 -0.14 -0.06 0.13 -0.04 1.99 1.88 2dphB1 GLU 276 HG2 -0.14 -0.02 -0.15 -0.04 2.34 1.99 2dphB1 GLU 276 HG3 -0.28 0.12 -0.16 -0.04 2.34 1.98 2dphB1 THR 277 H -0.13 0.61 0.19 -0.55 8.28 8.40 2dphB1 THR 277 HA -0.03 0.13 0.55 -0.75 4.39 4.29 2dphB1 THR 277 HB -0.01 0.14 -0.14 -0.04 4.32 4.27 2dphB1 THR 277 HG23 0.01 -0.02 -0.14 -0.04 1.22 1.03 2dphB1 PRO 278 HA 0.10 0.12 0.36 -0.51 4.44 4.51 2dphB1 PRO 278 HB2 0.13 0.00 0.02 -0.04 2.28 2.40 2dphB1 PRO 278 HB3 0.14 0.22 0.22 -0.04 2.02 2.56 2dphB1 PRO 278 HG2 -0.02 -0.04 0.06 -0.04 2.03 1.99 2dphB1 PRO 278 HG3 0.02 0.01 0.10 -0.04 2.03 2.11 2dphB1 PRO 278 HD2 -0.00 0.10 0.18 -0.04 3.68 3.92 2dphB1 PRO 278 HD3 0.01 0.19 0.11 -0.04 3.65 3.92 2dphB1 ASN 279 H 0.03 0.13 -0.43 -0.55 8.53 7.71 2dphB1 ASN 279 HA 0.03 0.15 0.74 -0.75 4.76 4.93 2dphB1 ASN 279 HB2 0.03 -0.01 0.10 -0.04 2.88 2.96 2dphB1 ASN 279 HB3 0.02 -0.09 -0.04 -0.04 2.79 2.64 2dphB1 ASN 279 HD21 0.09 -0.02 -0.00 -0.04 7.03 7.06 2dphB1 ASN 279 HD22 0.11 0.58 0.17 -0.04 7.74 8.56 2dphB1 GLY 280 H 0.05 0.56 -0.28 -0.55 8.43 8.21 2dphB1 GLY 280 HA2 0.03 0.01 0.23 -0.51 4.01 3.76 2dphB1 GLY 280 HA3 0.04 0.28 0.14 -0.51 4.01 3.96 2dphB1 ALA 281 H 0.07 0.14 -0.10 -0.55 8.40 7.97 2dphB1 ALA 281 HA 0.05 0.13 0.49 -0.75 4.34 4.26 2dphB1 ALA 281 HB3 0.09 0.01 0.06 -0.04 1.41 1.52 2dphB1 LEU 282 H -0.02 0.11 -0.22 -0.55 8.37 7.69 2dphB1 LEU 282 HA -0.31 0.09 0.28 -0.75 4.35 3.66 2dphB1 LEU 282 HB2 -0.21 -0.01 0.05 -0.04 1.64 1.43 2dphB1 LEU 282 HB3 -0.59 0.04 -0.08 -0.04 1.64 0.96 2dphB1 LEU 282 HG -0.12 -0.08 -0.00 -0.04 1.64 1.39 2dphB1 LEU 282 HD13 -0.50 0.03 -0.05 -0.04 0.93 0.36 2dphB1 LEU 282 HD23 -0.21 0.02 -0.06 -0.04 0.89 0.60 2dphB1 ASN 283 H -0.16 0.53 -0.12 -0.55 8.53 8.23 2dphB1 ASN 283 HA -0.19 -0.00 0.41 -0.75 4.76 4.22 2dphB1 ASN 283 HB2 -0.01 0.24 0.10 -0.04 2.88 3.17 2dphB1 ASN 283 HB3 0.03 -0.01 0.01 -0.04 2.79 2.79 2dphB1 ASN 283 HD21 0.10 0.28 0.19 -0.04 7.03 7.57 2dphB1 ASN 283 HD22 0.06 0.01 0.01 -0.04 7.74 7.78 2dphB1 SER 284 H -0.06 0.32 -0.40 -0.55 8.46 7.77 2dphB1 SER 284 HA -0.01 0.03 0.56 -0.75 4.49 4.32 2dphB1 SER 284 HB2 -0.00 -0.08 0.06 -0.04 3.95 3.89 2dphB1 SER 284 HB3 0.02 0.13 0.14 -0.04 3.93 4.18 2dphB1 LEU 285 H -0.07 0.43 -0.12 -0.55 8.37 8.06 2dphB1 LEU 285 HA 0.09 0.04 0.49 -0.75 4.35 4.22 2dphB1 LEU 285 HB2 -0.12 0.13 0.11 -0.04 1.64 1.71 2dphB1 LEU 285 HB3 0.08 0.03 -0.06 -0.04 1.64 1.66 2dphB1 LEU 285 HG 0.04 0.10 -0.04 -0.04 1.64 1.70 2dphB1 LEU 285 HD13 0.03 -0.02 -0.27 -0.04 0.93 0.63 2dphB1 LEU 285 HD23 0.22 -0.02 -0.08 -0.04 0.89 0.97 2dphB1 PHE 286 H -0.13 0.42 -0.09 -0.55 8.34 7.98 2dphB1 PHE 286 HA 0.00 0.11 0.36 -0.75 4.62 4.33 2dphB1 PHE 286 HB2 0.03 0.01 0.06 -0.04 3.15 3.21 2dphB1 PHE 286 HB3 0.01 -0.00 -0.01 -0.04 3.06 3.01 2dphB1 PHE 286 HD2 0.03 -0.05 -0.15 -0.04 7.28 7.07 2dphB1 PHE 286 HE2 0.06 -0.05 -0.20 -0.04 7.38 7.15 2dphB1 PHE 286 HZ 0.05 -0.01 -0.15 -0.04 7.32 7.18 2dphB1 ASP 287 H 0.09 0.13 -0.63 -0.55 8.40 7.44 2dphB1 ASP 287 HA 0.06 0.05 0.48 -0.75 4.63 4.48 2dphB1 ASP 287 HB2 0.05 0.03 0.12 -0.04 2.71 2.86 2dphB1 ASP 287 HB3 0.01 0.12 0.18 -0.04 2.70 2.97 2dphB1 VAL 288 H 0.02 0.30 -0.05 -0.55 8.24 7.96 2dphB1 VAL 288 HA -0.02 0.18 0.53 -0.75 4.13 4.06 2dphB1 VAL 288 HB -0.12 -0.02 0.04 -0.04 2.12 1.99 2dphB1 VAL 288 HG13 -0.16 -0.01 -0.10 -0.04 0.97 0.66 2dphB1 VAL 288 HG23 -0.12 0.04 -0.07 -0.04 0.95 0.75 2dphB1 VAL 289 H 0.06 0.39 -0.17 -0.55 8.24 7.97 2dphB1 VAL 289 HA 0.04 0.05 0.63 -0.75 4.13 4.10 2dphB1 VAL 289 HB 0.08 0.03 0.00 -0.04 2.12 2.19 2dphB1 VAL 289 HG13 0.03 0.07 -0.21 -0.04 0.97 0.81 2dphB1 VAL 289 HG23 0.09 -0.04 -0.11 -0.04 0.95 0.85 2dphB1 ARG 290 H 0.02 0.59 0.23 -0.55 8.46 8.74 2dphB1 ARG 290 HA 0.00 0.03 0.31 -0.75 4.34 3.93 2dphB1 ARG 290 HB2 0.00 -0.09 0.07 -0.04 1.90 1.84 2dphB1 ARG 290 HB3 0.02 -0.06 -0.06 -0.04 1.80 1.65 2dphB1 ARG 290 HG2 0.01 0.17 0.01 -0.04 1.67 1.82 2dphB1 ARG 290 HG3 -0.01 0.08 -0.43 -0.04 1.67 1.27 2dphB1 ARG 290 HD2 0.01 -0.01 -0.08 -0.04 3.22 3.10 2dphB1 ARG 290 HD3 0.03 -0.07 -0.21 -0.04 3.22 2.92 2dphB1 ALA 291 H -0.02 0.03 0.13 -0.55 8.40 8.00 2dphB1 ALA 291 HA -0.06 0.25 0.70 -0.75 4.34 4.48 2dphB1 ALA 291 HB3 -0.04 -0.02 0.13 -0.04 1.41 1.44 2dphB1 GLY 292 H -0.08 0.71 0.28 -0.55 8.43 8.79 2dphB1 GLY 292 HA2 -0.07 0.04 0.40 -0.51 4.01 3.87 2dphB1 GLY 292 HA3 -0.05 -0.00 0.69 -0.51 4.01 4.13 2dphB1 GLY 293 H -0.04 0.34 -0.20 -0.55 8.43 7.99 2dphB1 GLY 293 HA2 -0.02 0.11 0.63 -0.51 4.01 4.22 2dphB1 GLY 293 HA3 -0.01 0.04 0.35 -0.51 4.01 3.88 2dphB1 ALA 294 H -0.01 0.48 0.45 -0.55 8.40 8.78 2dphB1 ALA 294 HA -0.01 0.05 0.99 -0.75 4.34 4.61 2dphB1 ALA 294 HB3 -0.03 0.09 -0.00 -0.04 1.41 1.43 2dphB1 ILE 295 H 0.02 0.81 0.44 -0.55 8.25 8.96 2dphB1 ILE 295 HA 0.03 0.26 1.17 -0.75 4.18 4.89 2dphB1 ILE 295 HB 0.11 0.00 0.08 -0.04 1.89 2.04 2dphB1 ILE 295 HG12 0.10 -0.06 -0.04 -0.04 1.49 1.44 2dphB1 ILE 295 HG13 0.08 0.03 -0.50 -0.04 1.21 0.78 2dphB1 ILE 295 HG23 0.09 -0.05 -0.23 -0.04 0.93 0.71 2dphB1 ILE 295 HD13 0.27 0.00 -0.26 -0.04 0.88 0.86 2dphB1 GLY 296 H -0.00 0.66 0.44 -0.55 8.43 8.98 2dphB1 GLY 296 HA2 -0.02 0.13 0.90 -0.51 4.01 4.51 2dphB1 GLY 296 HA3 -0.06 0.23 0.43 -0.51 4.01 4.10 2dphB1 ILE 297 H 0.04 0.44 0.10 -0.55 8.25 8.28 2dphB1 ILE 297 HA 0.09 0.03 1.09 -0.75 4.18 4.63 2dphB1 ILE 297 HB 0.11 0.03 0.26 -0.04 1.89 2.24 2dphB1 ILE 297 HG12 0.07 -0.07 -0.15 -0.04 1.49 1.30 2dphB1 ILE 297 HG13 0.07 0.04 -0.54 -0.04 1.21 0.74 2dphB1 ILE 297 HG23 0.22 -0.00 0.01 -0.04 0.93 1.12 2dphB1 ILE 297 HD13 0.06 -0.02 -0.12 -0.04 0.88 0.76 2dphB1 PRO 298 HA 0.16 0.21 0.52 -0.51 4.44 4.82 2dphB1 PRO 298 HB2 0.08 -0.11 -0.18 -0.04 2.28 2.03 2dphB1 PRO 298 HB3 0.13 0.15 -0.02 -0.04 2.02 2.23 2dphB1 PRO 298 HG2 0.04 -0.04 -0.19 -0.04 2.03 1.80 2dphB1 PRO 298 HG3 0.03 0.04 -0.10 -0.04 2.03 1.96 2dphB1 PRO 298 HD2 0.05 0.08 -0.02 -0.04 3.68 3.75 2dphB1 PRO 298 HD3 0.02 0.08 -0.25 -0.04 3.65 3.46 2dphB1 GLY 299 H 0.11 0.70 0.07 -0.55 8.43 8.76 2dphB1 GLY 299 HA2 0.05 -0.03 0.22 -0.51 4.01 3.74 2dphB1 GLY 299 HA3 0.06 -0.18 0.03 -0.51 4.01 3.41 2dphB1 ILE 300 H 0.05 0.06 0.05 -0.55 8.25 7.87 2dphB1 ILE 300 HA 0.08 0.18 0.36 -0.75 4.18 4.03 2dphB1 ILE 300 HB 0.15 -0.07 0.11 -0.04 1.89 2.04 2dphB1 ILE 300 HG12 0.01 0.08 -0.05 -0.04 1.49 1.49 2dphB1 ILE 300 HG13 0.06 0.01 -0.00 -0.04 1.21 1.23 2dphB1 ILE 300 HG23 0.03 0.00 -0.23 -0.04 0.93 0.69 2dphB1 ILE 300 HD13 -0.05 -0.01 -0.02 -0.04 0.88 0.75 2dphB1 TYR 301 H 0.18 0.28 0.18 -0.55 8.29 8.38 2dphB1 TYR 301 HA 0.07 0.02 0.76 -0.75 4.56 4.66 2dphB1 TYR 301 HB2 0.04 0.02 0.09 -0.04 3.06 3.17 2dphB1 TYR 301 HB3 0.02 0.10 0.01 -0.04 2.98 3.07 2dphB1 TYR 301 HD2 0.09 0.11 -0.09 -0.04 7.15 7.22 2dphB1 TYR 301 HE2 0.07 0.13 -0.11 -0.04 6.85 6.90 2dphB1 VAL 302 H -0.32 0.13 0.10 -0.55 8.24 7.61 2dphB1 VAL 302 HA -0.10 0.16 0.68 -0.75 4.13 4.11 2dphB1 VAL 302 HB -0.29 0.01 0.08 -0.04 2.12 1.88 2dphB1 VAL 302 HG13 -0.25 0.00 -0.08 -0.04 0.97 0.60 2dphB1 VAL 302 HG23 -0.95 0.01 -0.09 -0.04 0.95 -0.12 2dphB1 GLY 303 H -0.08 0.15 0.15 -0.55 8.43 8.10 2dphB1 GLY 303 HA2 -0.05 0.16 0.52 -0.51 4.01 4.13 2dphB1 GLY 303 HA3 -0.05 0.02 0.29 -0.51 4.01 3.75 2dphB1 SER 304 H -0.16 0.05 -0.20 -0.55 8.46 7.60 2dphB1 SER 304 HA -0.09 0.32 0.57 -0.75 4.49 4.55 2dphB1 SER 304 HB2 -0.09 0.03 -0.17 -0.04 3.95 3.68 2dphB1 SER 304 HB3 -0.14 -0.08 0.03 -0.04 3.93 3.69 2dphB1 ASP 305 H -0.07 0.51 0.17 -0.55 8.40 8.46 2dphB1 ASP 305 HA -0.09 0.26 0.90 -0.75 4.63 4.94 2dphB1 ASP 305 HB2 -0.09 -0.00 0.01 -0.04 2.71 2.58 2dphB1 ASP 305 HB3 0.00 -0.00 0.12 -0.04 2.70 2.78 2dphB1 PRO 306 HA -0.01 0.07 0.43 -0.51 4.44 4.42 2dphB1 PRO 306 HB2 0.02 0.05 0.02 -0.04 2.28 2.33 2dphB1 PRO 306 HB3 -0.02 -0.04 0.05 -0.04 2.02 1.98 2dphB1 PRO 306 HG2 0.06 0.19 0.09 -0.04 2.03 2.33 2dphB1 PRO 306 HG3 0.01 -0.06 -0.14 -0.04 2.03 1.79 2dphB1 PRO 306 HD2 0.04 0.21 0.27 -0.04 3.68 4.15 2dphB1 PRO 306 HD3 -0.08 0.14 0.04 -0.04 3.65 3.71 2dphB1 ASP 307 H 0.06 0.01 -0.48 -0.55 8.40 7.44 2dphB1 ASP 307 HA 0.03 0.16 0.65 -0.75 4.63 4.72 2dphB1 ASP 307 HB2 0.05 0.06 -0.23 -0.04 2.71 2.55 2dphB1 ASP 307 HB3 0.07 -0.04 0.06 -0.04 2.70 2.76 2dphB1 PRO 308 HA 0.07 0.08 0.34 -0.51 4.44 4.42 2dphB1 PRO 308 HB2 0.02 -0.06 -0.04 -0.04 2.28 2.16 2dphB1 PRO 308 HB3 0.04 0.07 -0.22 -0.04 2.02 1.87 2dphB1 PRO 308 HG2 0.02 -0.04 -0.18 -0.04 2.03 1.79 2dphB1 PRO 308 HG3 0.01 0.03 0.02 -0.04 2.03 2.05 2dphB1 PRO 308 HD2 0.02 0.10 -0.02 -0.04 3.68 3.74 2dphB1 PRO 308 HD3 0.02 0.33 -0.17 -0.04 3.65 3.80 2dphB1 VAL 309 H 0.03 0.09 0.16 -0.55 8.24 7.97 2dphB1 VAL 309 HA 0.01 0.17 0.55 -0.75 4.13 4.11 2dphB1 VAL 309 HB -0.00 -0.10 0.07 -0.04 2.12 2.05 2dphB1 VAL 309 HG13 -0.01 0.07 0.13 -0.04 0.97 1.11 2dphB1 VAL 309 HG23 -0.01 0.02 0.01 -0.04 0.95 0.93 2dphB1 ASN 310 H 0.01 0.09 -0.03 -0.55 8.53 8.06 2dphB1 ASN 310 HA 0.02 0.23 0.42 -0.75 4.76 4.68 2dphB1 ASN 310 HB2 0.05 -0.06 0.16 -0.04 2.88 2.99 2dphB1 ASN 310 HB3 0.03 0.19 -0.00 -0.04 2.79 2.97 2dphB1 ASN 310 HD21 -0.12 -0.02 0.01 -0.04 7.03 6.86 2dphB1 ASN 310 HD22 0.00 0.12 -0.07 -0.04 7.74 7.75 2dphB1 LYS 311 H 0.03 0.20 0.12 -0.55 8.42 8.21 2dphB1 LYS 311 HA 0.01 0.16 0.28 -0.75 4.32 4.01 2dphB1 LYS 311 HB2 0.02 0.04 0.13 -0.04 1.87 2.02 2dphB1 LYS 311 HB3 0.03 -0.03 0.08 -0.04 1.79 1.83 2dphB1 LYS 311 HG2 0.01 0.01 0.03 -0.04 1.46 1.47 2dphB1 LYS 311 HG3 0.01 0.05 0.03 -0.04 1.46 1.51 2dphB1 LYS 311 HD2 0.02 -0.02 -0.08 -0.04 1.69 1.57 2dphB1 LYS 311 HD3 0.01 0.03 -0.02 -0.04 1.68 1.66 2dphB1 LYS 311 HE2 0.01 0.03 0.00 -0.04 2.99 2.99 2dphB1 LYS 311 HE3 0.02 -0.03 0.02 -0.04 2.99 2.96 2dphB1 ASP 312 H 0.04 0.06 -0.12 -0.55 8.40 7.83 2dphB1 ASP 312 HA 0.02 0.11 0.46 -0.75 4.63 4.47 2dphB1 ASP 312 HB2 0.03 -0.10 0.07 -0.04 2.71 2.66 2dphB1 ASP 312 HB3 -0.01 0.29 -0.06 -0.04 2.70 2.87 2dphB1 ALA 313 H -0.04 0.02 -0.18 -0.55 8.40 7.65 2dphB1 ALA 313 HA -0.02 0.10 0.30 -0.75 4.34 3.96 2dphB1 ALA 313 HB3 -0.00 -0.00 0.10 -0.04 1.41 1.47 2dphB1 GLY 314 H -0.00 0.27 -0.59 -0.55 8.43 7.56 2dphB1 GLY 314 HA2 -0.01 0.13 0.61 -0.51 4.01 4.23 2dphB1 GLY 314 HA3 -0.01 0.11 0.33 -0.51 4.01 3.93 2dphB1 SER 315 H -0.01 0.42 -0.16 -0.55 8.46 8.16 2dphB1 SER 315 HA -0.03 0.25 0.89 -0.75 4.49 4.84 2dphB1 SER 315 HB2 -0.01 -0.01 0.17 -0.04 3.95 4.06 2dphB1 SER 315 HB3 -0.02 -0.01 0.23 -0.04 3.93 4.10 2dphB1 GLY 316 H -0.03 0.25 -0.56 -0.55 8.43 7.53 2dphB1 GLY 316 HA2 -0.02 0.01 0.22 -0.51 4.01 3.70 2dphB1 GLY 316 HA3 -0.03 0.11 0.38 -0.51 4.01 3.96 2dphB1 ARG 317 H -0.02 0.35 -0.47 -0.55 8.46 7.77 2dphB1 ARG 317 HA -0.00 0.10 0.69 -0.75 4.34 4.37 2dphB1 ARG 317 HB2 0.00 0.10 0.00 -0.04 1.90 1.96 2dphB1 ARG 317 HB3 0.01 -0.08 0.07 -0.04 1.80 1.75 2dphB1 ARG 317 HG2 0.08 -0.09 -0.25 -0.04 1.67 1.37 2dphB1 ARG 317 HG3 0.03 0.04 -0.02 -0.04 1.67 1.68 2dphB1 ARG 317 HD2 0.04 -0.05 -0.02 -0.04 3.22 3.15 2dphB1 ARG 317 HD3 0.04 -0.03 -0.04 -0.04 3.22 3.15 2dphB1 LEU 318 H -0.00 0.24 0.11 -0.55 8.37 8.17 2dphB1 LEU 318 HA -0.17 0.10 0.72 -0.75 4.35 4.24 2dphB1 LEU 318 HB2 -0.00 0.02 -0.10 -0.04 1.64 1.52 2dphB1 LEU 318 HB3 -0.02 -0.08 -0.14 -0.04 1.64 1.37 2dphB1 LEU 318 HG 0.01 0.21 -0.30 -0.04 1.64 1.51 2dphB1 LEU 318 HD13 0.02 0.01 -0.11 -0.04 0.93 0.80 2dphB1 LEU 318 HD23 0.04 0.00 -0.30 -0.04 0.89 0.59 2dphB1 HIS 319 H -0.13 0.12 0.03 -0.55 8.41 7.88 2dphB1 HIS 319 HA 0.04 0.15 0.72 -0.75 4.63 4.79 2dphB1 HIS 319 HB2 0.04 -0.03 0.16 -0.04 3.26 3.39 2dphB1 HIS 319 HB3 0.04 0.05 0.01 -0.04 3.20 3.25 2dphB1 HIS 319 HD2 0.02 0.10 -0.38 -0.04 6.97 6.67 2dphB1 HIS 319 HE1 0.02 -0.02 -0.01 -0.04 7.75 7.69 2dphB1 LEU 320 H 0.16 0.28 0.14 -0.55 8.37 8.41 2dphB1 LEU 320 HA 0.20 0.13 0.62 -0.75 4.35 4.54 2dphB1 LEU 320 HB2 0.19 0.09 -0.01 -0.04 1.64 1.86 2dphB1 LEU 320 HB3 0.41 0.02 -0.19 -0.04 1.64 1.83 2dphB1 LEU 320 HG 0.35 0.01 -0.16 -0.04 1.64 1.80 2dphB1 LEU 320 HD13 0.03 -0.01 -0.33 -0.04 0.93 0.58 2dphB1 LEU 320 HD23 0.12 0.03 -0.11 -0.04 0.89 0.89 2dphB1 ASP 321 H 0.32 0.20 0.08 -0.55 8.40 8.44 2dphB1 ASP 321 HA 0.16 0.07 0.54 -0.75 4.63 4.65 2dphB1 ASP 321 HB2 0.34 0.06 0.18 -0.04 2.71 3.24 2dphB1 ASP 321 HB3 0.15 -0.02 0.13 -0.04 2.70 2.92 2dphB1 PHE 322 H 0.25 0.57 0.15 -0.55 8.34 8.75 2dphB1 PHE 322 HA -0.19 0.12 0.26 -0.75 4.62 4.07 2dphB1 PHE 322 HB2 0.02 0.04 0.03 -0.04 3.15 3.20 2dphB1 PHE 322 HB3 -0.00 -0.01 0.10 -0.04 3.06 3.11 2dphB1 PHE 322 HD2 -0.05 -0.02 -0.11 -0.04 7.28 7.06 2dphB1 PHE 322 HE2 0.02 0.03 -0.04 -0.04 7.38 7.35 2dphB1 PHE 322 HZ 0.14 0.05 -0.02 -0.04 7.32 7.45 2dphB1 GLY 323 H 0.13 0.11 -0.00 -0.55 8.43 8.12 2dphB1 GLY 323 HA2 0.03 0.10 0.39 -0.51 4.01 4.02 2dphB1 GLY 323 HA3 0.04 0.06 0.28 -0.51 4.01 3.89 2dphB1 LYS 324 H 0.03 0.03 -0.26 -0.55 8.42 7.66 2dphB1 LYS 324 HA 0.02 0.07 0.40 -0.75 4.32 4.06 2dphB1 LYS 324 HB2 0.05 -0.08 0.04 -0.04 1.87 1.83 2dphB1 LYS 324 HB3 0.05 0.07 0.01 -0.04 1.79 1.88 2dphB1 LYS 324 HG2 0.03 0.20 -0.26 -0.04 1.46 1.39 2dphB1 LYS 324 HG3 0.03 -0.04 -0.01 -0.04 1.46 1.41 2dphB1 LYS 324 HD2 0.12 -0.06 -0.18 -0.04 1.69 1.52 2dphB1 LYS 324 HD3 0.07 0.14 -0.15 -0.04 1.68 1.70 2dphB1 LYS 324 HE2 0.04 0.02 -0.02 -0.04 2.99 2.99 2dphB1 LYS 324 HE3 0.06 -0.09 -0.02 -0.04 2.99 2.89 2dphB1 MET 325 H -0.18 0.18 -0.32 -0.55 8.47 7.60 2dphB1 MET 325 HA -0.18 0.20 0.44 -0.75 4.52 4.23 2dphB1 MET 325 HB2 -0.83 -0.01 0.07 -0.04 2.15 1.34 2dphB1 MET 325 HB3 -0.75 0.03 0.12 -0.04 2.03 1.38 2dphB1 MET 325 HG2 -0.33 0.05 -0.03 -0.04 2.63 2.28 2dphB1 MET 325 HG3 -1.10 -0.07 -0.09 -0.04 2.56 1.26 2dphB1 MET 325 HE3 -0.42 -0.04 -0.11 -0.04 2.10 1.50 2dphB1 TRP 326 H -0.25 0.62 0.02 -0.55 7.97 7.82 2dphB1 TRP 326 HA -0.35 0.05 0.44 -0.75 4.62 4.01 2dphB1 TRP 326 HB2 -0.67 0.01 0.10 -0.04 3.23 2.63 2dphB1 TRP 326 HB3 -0.22 0.04 0.14 -0.04 3.23 3.15 2dphB1 TRP 326 HD1 -0.07 -0.01 0.01 -0.04 7.22 7.11 2dphB1 TRP 326 HE1 0.02 -0.01 -0.00 -0.04 10.20 10.17 2dphB1 TRP 326 HE3 -0.07 0.07 -0.36 -0.04 7.59 7.18 2dphB1 TRP 326 HZ2 -0.00 -0.01 -0.01 -0.04 7.44 7.37 2dphB1 TRP 326 HZ3 -0.03 0.00 -0.04 -0.04 7.13 7.02 2dphB1 TRP 326 HH2 -0.01 -0.01 -0.02 -0.04 7.19 7.11 2dphB1 THR 327 H 0.16 0.47 -0.20 -0.55 8.28 8.17 2dphB1 THR 327 HA 0.24 -0.01 0.34 -0.75 4.39 4.20 2dphB1 THR 327 HB 0.06 0.14 0.06 -0.04 4.32 4.53 2dphB1 THR 327 HG23 0.09 -0.03 0.03 -0.04 1.22 1.27 2dphB1 LYS 328 H -0.11 0.31 -0.57 -0.55 8.42 7.50 2dphB1 LYS 328 HA -0.09 0.10 0.76 -0.75 4.32 4.33 2dphB1 LYS 328 HB2 -0.08 0.14 0.06 -0.04 1.87 1.95 2dphB1 LYS 328 HB3 -0.06 -0.02 0.01 -0.04 1.79 1.68 2dphB1 LYS 328 HG2 -0.03 -0.10 -0.05 -0.04 1.46 1.24 2dphB1 LYS 328 HG3 -0.03 0.02 -0.07 -0.04 1.46 1.35 2dphB1 LYS 328 HD2 -0.01 0.03 -0.15 -0.04 1.69 1.52 2dphB1 LYS 328 HD3 -0.01 -0.13 -0.04 -0.04 1.68 1.46 2dphB1 LYS 328 HE2 0.00 -0.12 -0.03 -0.04 2.99 2.81 2dphB1 LYS 328 HE3 -0.01 -0.04 -0.02 -0.04 2.99 2.88 2dphB1 SER 329 H -0.37 0.49 -0.30 -0.55 8.46 7.74 2dphB1 SER 329 HA -0.46 0.04 0.35 -0.75 4.49 3.66 2dphB1 SER 329 HB2 -0.19 0.02 0.08 -0.04 3.95 3.82 2dphB1 SER 329 HB3 -0.25 -0.04 0.18 -0.04 3.93 3.79 2dphB1 ILE 330 H -0.24 0.19 -0.14 -0.55 8.25 7.52 2dphB1 ILE 330 HA -0.10 0.41 0.61 -0.75 4.18 4.35 2dphB1 ILE 330 HB -0.16 -0.06 -0.01 -0.04 1.89 1.62 2dphB1 ILE 330 HG12 -0.03 0.04 -0.19 -0.04 1.49 1.26 2dphB1 ILE 330 HG13 -0.09 0.01 -0.19 -0.04 1.21 0.89 2dphB1 ILE 330 HG23 -0.01 -0.05 -0.29 -0.04 0.93 0.53 2dphB1 ILE 330 HD13 -0.02 0.02 -0.10 -0.04 0.88 0.75 2dphB1 ARG 331 H -0.05 0.48 0.36 -0.55 8.46 8.69 2dphB1 ARG 331 HA -0.05 0.07 0.86 -0.75 4.34 4.48 2dphB1 ARG 331 HB2 -0.05 0.06 0.06 -0.04 1.90 1.94 2dphB1 ARG 331 HB3 -0.03 0.02 0.14 -0.04 1.80 1.89 2dphB1 ARG 331 HG2 -0.01 0.03 -0.13 -0.04 1.67 1.52 2dphB1 ARG 331 HG3 -0.02 -0.05 0.06 -0.04 1.67 1.61 2dphB1 ARG 331 HD2 -0.01 -0.06 -0.02 -0.04 3.22 3.08 2dphB1 ARG 331 HD3 -0.03 0.00 -0.02 -0.04 3.22 3.14 2dphB1 ILE 332 H 0.01 0.18 0.17 -0.55 8.25 8.06 2dphB1 ILE 332 HA 0.04 0.34 1.06 -0.75 4.18 4.87 2dphB1 ILE 332 HB 0.07 -0.05 0.02 -0.04 1.89 1.89 2dphB1 ILE 332 HG12 0.00 -0.01 -0.47 -0.04 1.49 0.98 2dphB1 ILE 332 HG13 0.06 -0.05 -0.14 -0.04 1.21 1.03 2dphB1 ILE 332 HG23 0.11 -0.02 -0.20 -0.04 0.93 0.78 2dphB1 ILE 332 HD13 0.16 0.01 -0.19 -0.04 0.88 0.82 2dphB1 MET 333 H 0.03 0.61 0.34 -0.55 8.47 8.90 2dphB1 MET 333 HA 0.05 0.11 0.83 -0.75 4.52 4.75 2dphB1 MET 333 HB2 0.01 0.09 0.04 -0.04 2.15 2.24 2dphB1 MET 333 HB3 -0.03 -0.04 0.12 -0.04 2.03 2.04 2dphB1 MET 333 HG2 0.05 -0.02 0.02 -0.04 2.63 2.63 2dphB1 MET 333 HG3 0.11 0.08 -0.11 -0.04 2.56 2.60 2dphB1 MET 333 HE3 0.13 0.03 0.04 -0.04 2.10 2.27 2dphB1 THR 334 H 0.09 0.18 0.14 -0.55 8.28 8.15 2dphB1 THR 334 HA 0.11 0.23 0.94 -0.75 4.39 4.91 2dphB1 THR 334 HB 0.10 -0.05 0.13 -0.04 4.32 4.46 2dphB1 THR 334 HG23 0.07 0.00 -0.23 -0.04 1.22 1.02 2dphB1 GLY 335 H 0.14 0.17 0.13 -0.55 8.43 8.32 2dphB1 GLY 335 HA2 0.09 -0.05 0.29 -0.51 4.01 3.83 2dphB1 GLY 335 HA3 0.10 0.16 0.35 -0.51 4.01 4.11 2dphB1 MET 336 H 0.07 0.08 0.10 -0.55 8.47 8.19 2dphB1 MET 336 HA 0.21 0.00 0.54 -0.75 4.52 4.52 2dphB1 MET 336 HB2 0.04 0.06 0.11 -0.04 2.15 2.32 2dphB1 MET 336 HB3 0.21 0.02 0.07 -0.04 2.03 2.28 2dphB1 MET 336 HG2 0.04 -0.04 0.08 -0.04 2.63 2.68 2dphB1 MET 336 HG3 0.06 0.07 0.04 -0.04 2.56 2.70 2dphB1 MET 336 HE3 -0.30 -0.00 -0.05 -0.04 2.10 1.71 2dphB1 ALA 337 H 0.29 0.04 0.15 -0.55 8.40 8.33 2dphB1 ALA 337 HA -0.39 0.23 0.48 -0.75 4.34 3.91 2dphB1 ALA 337 HB3 0.17 0.01 -0.02 -0.04 1.41 1.53 2dphB1 PRO 338 HA -0.11 0.06 0.63 -0.51 4.44 4.51 2dphB1 PRO 338 HB2 -0.12 -0.03 0.13 -0.04 2.28 2.22 2dphB1 PRO 338 HB3 -0.08 -0.18 0.08 -0.04 2.02 1.80 2dphB1 PRO 338 HG2 -0.11 0.04 0.13 -0.04 2.03 2.04 2dphB1 PRO 338 HG3 -0.06 0.14 0.11 -0.04 2.03 2.18 2dphB1 PRO 338 HD2 -0.53 0.11 0.11 -0.04 3.68 3.33 2dphB1 PRO 338 HD3 -0.34 0.32 0.17 -0.04 3.65 3.76 2dphB1 VAL 339 H -0.08 0.34 -0.03 -0.55 8.24 7.93 2dphB1 VAL 339 HA 0.20 0.05 0.14 -0.75 4.13 3.77 2dphB1 VAL 339 HB -0.02 -0.03 0.14 -0.04 2.12 2.16 2dphB1 VAL 339 HG13 0.11 0.03 -0.08 -0.04 0.97 0.98 2dphB1 VAL 339 HG23 0.24 0.06 0.07 -0.04 0.95 1.28 2dphB1 THR 340 H -0.09 0.05 -0.27 -0.55 8.28 7.42 2dphB1 THR 340 HA -0.10 0.10 0.40 -0.75 4.39 4.04 2dphB1 THR 340 HB -0.13 -0.12 -0.02 -0.04 4.32 4.01 2dphB1 THR 340 HG23 -0.27 0.03 -0.06 -0.04 1.22 0.88 2dphB1 ASN 341 H -0.18 0.37 -0.28 -0.55 8.53 7.89 2dphB1 ASN 341 HA -0.19 0.09 0.49 -0.75 4.76 4.39 2dphB1 ASN 341 HB2 -0.74 0.15 0.11 -0.04 2.88 2.35 2dphB1 ASN 341 HB3 -0.59 0.01 0.08 -0.04 2.79 2.26 2dphB1 ASN 341 HD21 -0.09 0.56 0.23 -0.04 7.03 7.69 2dphB1 ASN 341 HD22 -0.18 -0.03 0.09 -0.04 7.74 7.59 2dphB1 TYR 342 H -0.01 0.34 -0.26 -0.55 8.29 7.80 2dphB1 TYR 342 HA 0.08 0.24 0.99 -0.75 4.56 5.11 2dphB1 TYR 342 HB2 0.12 -0.01 -0.02 -0.04 3.06 3.10 2dphB1 TYR 342 HB3 0.09 -0.03 0.01 -0.04 2.98 3.00 2dphB1 TYR 342 HD2 0.24 -0.02 -0.14 -0.04 7.15 7.19 2dphB1 TYR 342 HE2 0.08 0.00 -0.08 -0.04 6.85 6.81 2dphB1 ASN 343 H 0.08 0.48 0.12 -0.55 8.53 8.67 2dphB1 ASN 343 HA 0.09 -0.00 0.21 -0.75 4.76 4.30 2dphB1 ASN 343 HB2 0.04 -0.03 -0.00 -0.04 2.88 2.85 2dphB1 ASN 343 HB3 0.06 0.08 0.07 -0.04 2.79 2.96 2dphB1 ASN 343 HD21 -0.09 0.11 -0.06 -0.04 7.03 6.95 2dphB1 ASN 343 HD22 -0.04 -0.01 -0.12 -0.04 7.74 7.53 2dphB1 ARG 344 H 0.05 0.21 -0.20 -0.55 8.46 7.97 2dphB1 ARG 344 HA 0.03 0.07 0.44 -0.75 4.34 4.13 2dphB1 ARG 344 HB2 0.00 0.07 0.08 -0.04 1.90 2.01 2dphB1 ARG 344 HB3 0.06 0.02 0.05 -0.04 1.80 1.88 2dphB1 ARG 344 HG2 -0.07 -0.01 -0.12 -0.04 1.67 1.43 2dphB1 ARG 344 HG3 -0.01 -0.01 0.03 -0.04 1.67 1.64 2dphB1 ARG 344 HD2 -0.01 0.03 -0.01 -0.04 3.22 3.19 2dphB1 ARG 344 HD3 -0.03 -0.01 -0.01 -0.04 3.22 3.14 2dphB1 HIS 345 H 0.22 0.18 -0.13 -0.55 8.41 8.13 2dphB1 HIS 345 HA 0.02 0.05 0.43 -0.75 4.63 4.37 2dphB1 HIS 345 HB2 0.03 0.09 0.12 -0.04 3.26 3.46 2dphB1 HIS 345 HB3 -0.01 0.04 -0.04 -0.04 3.20 3.15 2dphB1 HIS 345 HD2 0.02 -0.01 0.01 -0.04 6.97 6.94 2dphB1 HIS 345 HE1 0.01 0.01 -0.01 -0.04 7.75 7.72 2dphB1 LEU 346 H 0.05 0.53 -0.20 -0.55 8.37 8.20 2dphB1 LEU 346 HA -0.09 0.08 0.39 -0.75 4.35 3.97 2dphB1 LEU 346 HB2 -0.01 0.07 -0.02 -0.04 1.64 1.64 2dphB1 LEU 346 HB3 -0.07 -0.06 -0.10 -0.04 1.64 1.37 2dphB1 LEU 346 HG -0.35 0.09 -0.04 -0.04 1.64 1.30 2dphB1 LEU 346 HD13 -0.10 -0.03 -0.27 -0.04 0.93 0.48 2dphB1 LEU 346 HD23 -0.78 0.00 -0.11 -0.04 0.89 -0.03 2dphB1 THR 347 H 0.06 0.53 -0.18 -0.55 8.28 8.14 2dphB1 THR 347 HA 0.06 -0.03 0.50 -0.75 4.39 4.17 2dphB1 THR 347 HB 0.11 0.18 0.19 -0.04 4.32 4.76 2dphB1 THR 347 HG23 0.20 -0.03 -0.10 -0.04 1.22 1.25 2dphB1 GLU 348 H 0.05 0.52 -0.19 -0.55 8.60 8.43 2dphB1 GLU 348 HA 0.20 -0.02 0.41 -0.75 4.29 4.13 2dphB1 GLU 348 HB2 -0.01 0.15 0.15 -0.04 2.09 2.34 2dphB1 GLU 348 HB3 0.05 -0.02 -0.01 -0.04 1.99 1.97 2dphB1 GLU 348 HG2 -0.00 0.19 0.04 -0.04 2.34 2.52 2dphB1 GLU 348 HG3 -0.07 -0.03 -0.02 -0.04 2.34 2.18 2dphB1 ALA 349 H 0.05 0.45 -0.23 -0.55 8.40 8.12 2dphB1 ALA 349 HA 0.09 0.07 0.40 -0.75 4.34 4.15 2dphB1 ALA 349 HB3 0.02 0.04 0.03 -0.04 1.41 1.46 2dphB1 ILE 350 H 0.02 0.46 -0.23 -0.55 8.25 7.95 2dphB1 ILE 350 HA -0.04 -0.03 0.51 -0.75 4.18 3.87 2dphB1 ILE 350 HB -0.03 0.10 0.17 -0.04 1.89 2.08 2dphB1 ILE 350 HG12 -0.06 -0.06 -0.02 -0.04 1.49 1.32 2dphB1 ILE 350 HG13 -0.03 0.10 0.00 -0.04 1.21 1.25 2dphB1 ILE 350 HG23 -0.09 -0.02 -0.13 -0.04 0.93 0.65 2dphB1 ILE 350 HD13 -0.02 -0.04 -0.19 -0.04 0.88 0.59 2dphB1 LEU 351 H 0.02 0.69 0.02 -0.55 8.37 8.55 2dphB1 LEU 351 HA -0.12 0.02 0.30 -0.75 4.35 3.79 2dphB1 LEU 351 HB2 0.01 0.08 0.06 -0.04 1.64 1.75 2dphB1 LEU 351 HB3 -0.21 -0.06 0.03 -0.04 1.64 1.37 2dphB1 LEU 351 HG -0.05 0.14 0.06 -0.04 1.64 1.75 2dphB1 LEU 351 HD13 0.01 -0.03 -0.07 -0.04 0.93 0.80 2dphB1 LEU 351 HD23 -0.17 -0.03 -0.10 -0.04 0.89 0.55 2dphB1 TRP 352 H 0.22 0.33 -0.56 -0.55 7.97 7.41 2dphB1 TRP 352 HA -0.03 0.12 0.76 -0.75 4.62 4.72 2dphB1 TRP 352 HB2 -0.02 0.22 0.10 -0.04 3.23 3.50 2dphB1 TRP 352 HB3 -0.01 -0.04 0.15 -0.04 3.23 3.29 2dphB1 TRP 352 HD1 -0.03 0.11 0.02 -0.04 7.22 7.29 2dphB1 TRP 352 HE1 -0.02 -0.06 -0.03 -0.04 10.20 10.05 2dphB1 TRP 352 HE3 -0.01 0.03 0.05 -0.04 7.59 7.62 2dphB1 TRP 352 HZ2 -0.01 -0.04 -0.02 -0.04 7.44 7.33 2dphB1 TRP 352 HZ3 -0.01 -0.01 0.01 -0.04 7.13 7.07 2dphB1 TRP 352 HH2 -0.01 -0.03 -0.01 -0.04 7.19 7.10 2dphB1 ASP 353 H 0.02 0.47 -0.40 -0.55 8.40 7.95 2dphB1 ASP 353 HA -0.02 0.00 0.30 -0.75 4.63 4.15 2dphB1 ASP 353 HB2 0.04 0.16 -0.22 -0.04 2.71 2.66 2dphB1 ASP 353 HB3 0.00 -0.06 0.18 -0.04 2.70 2.78 2dphB1 GLN 354 H 0.05 0.63 0.02 -0.55 8.47 8.62 2dphB1 GLN 354 HA 0.05 0.16 0.65 -0.75 4.36 4.47 2dphB1 GLN 354 HB2 0.06 0.04 0.10 -0.04 2.15 2.31 2dphB1 GLN 354 HB3 0.08 -0.02 0.12 -0.04 2.02 2.15 2dphB1 GLN 354 HG2 0.13 0.05 -0.15 -0.04 2.40 2.39 2dphB1 GLN 354 HG3 0.07 -0.06 -0.00 -0.04 2.39 2.36 2dphB1 GLN 354 HE21 0.06 -0.02 0.03 -0.04 6.97 7.00 2dphB1 GLN 354 HE22 0.07 0.01 0.06 -0.04 7.69 7.78 2dphB1 MET 355 H -0.12 0.08 -0.27 -0.55 8.47 7.61 2dphB1 MET 355 HA -0.93 0.26 0.88 -0.75 4.52 3.98 2dphB1 MET 355 HB2 -0.18 -0.03 0.07 -0.04 2.15 1.97 2dphB1 MET 355 HB3 -0.38 -0.10 0.09 -0.04 2.03 1.60 2dphB1 MET 355 HG2 -0.03 0.17 -0.22 -0.04 2.63 2.51 2dphB1 MET 355 HG3 -0.05 -0.02 -0.44 -0.04 2.56 2.01 2dphB1 MET 355 HE3 0.11 0.00 -0.16 -0.04 2.10 2.02 2dphB1 PRO 356 HA -0.12 0.07 0.51 -0.51 4.44 4.39 2dphB1 PRO 356 HB2 -0.01 0.03 0.02 -0.04 2.28 2.28 2dphB1 PRO 356 HB3 -0.04 0.05 0.08 -0.04 2.02 2.08 2dphB1 PRO 356 HG2 0.09 0.04 -0.00 -0.04 2.03 2.12 2dphB1 PRO 356 HG3 0.02 0.11 0.02 -0.04 2.03 2.14 2dphB1 PRO 356 HD2 -0.21 0.23 -0.07 -0.04 3.68 3.59 2dphB1 PRO 356 HD3 -0.09 0.28 -0.27 -0.04 3.65 3.52 2dphB1 TYR 357 H -0.74 0.18 -0.30 -0.55 8.29 6.88 2dphB1 TYR 357 HA 0.04 0.14 0.53 -0.75 4.56 4.51 2dphB1 TYR 357 HB2 0.14 0.06 0.04 -0.04 3.06 3.26 2dphB1 TYR 357 HB3 0.02 0.10 0.06 -0.04 2.98 3.11 2dphB1 TYR 357 HD2 0.09 -0.01 -0.13 -0.04 7.15 7.06 2dphB1 TYR 357 HE2 0.08 0.12 0.04 -0.04 6.85 7.04 2dphB1 LEU 358 H -0.25 0.32 -0.42 -0.55 8.37 7.48 2dphB1 LEU 358 HA 0.12 0.12 0.32 -0.75 4.35 4.15 2dphB1 LEU 358 HB2 -0.10 0.02 0.06 -0.04 1.64 1.58 2dphB1 LEU 358 HB3 -0.10 0.08 0.12 -0.04 1.64 1.71 2dphB1 LEU 358 HG -0.02 -0.02 -0.23 -0.04 1.64 1.33 2dphB1 LEU 358 HD13 0.04 -0.00 -0.03 -0.04 0.93 0.89 2dphB1 LEU 358 HD23 -0.04 -0.00 -0.02 -0.04 0.89 0.79 2dphB1 SER 359 H -0.04 0.22 -0.07 -0.55 8.46 8.02 2dphB1 SER 359 HA -0.02 0.03 0.45 -0.75 4.49 4.19 2dphB1 SER 359 HB2 -0.03 -0.00 0.02 -0.04 3.95 3.90 2dphB1 SER 359 HB3 -0.04 -0.02 0.05 -0.04 3.93 3.88 2dphB1 LYS 360 H 0.03 0.17 -0.35 -0.55 8.42 7.71 2dphB1 LYS 360 HA 0.02 0.01 0.36 -0.75 4.32 3.96 2dphB1 LYS 360 HB2 0.11 0.16 0.04 -0.04 1.87 2.14 2dphB1 LYS 360 HB3 0.06 0.04 0.03 -0.04 1.79 1.87 2dphB1 LYS 360 HG2 0.02 -0.06 0.04 -0.04 1.46 1.42 2dphB1 LYS 360 HG3 0.04 0.13 0.15 -0.04 1.46 1.74 2dphB1 LYS 360 HD2 0.09 0.01 0.02 -0.04 1.69 1.77 2dphB1 LYS 360 HD3 0.04 0.01 0.01 -0.04 1.68 1.70 2dphB1 LYS 360 HE2 0.04 0.14 -0.13 -0.04 2.99 3.00 2dphB1 LYS 360 HE3 0.04 -0.01 -0.05 -0.04 2.99 2.93 2dphB1 VAL 361 H 0.07 0.22 -0.50 -0.55 8.24 7.48 2dphB1 VAL 361 HA 0.06 0.20 0.50 -0.75 4.13 4.13 2dphB1 VAL 361 HB 0.16 0.21 0.13 -0.04 2.12 2.57 2dphB1 VAL 361 HG13 -0.01 -0.02 -0.18 -0.04 0.97 0.72 2dphB1 VAL 361 HG23 0.20 -0.03 -0.08 -0.04 0.95 1.01 2dphB1 MET 362 H 0.01 0.24 -0.13 -0.55 8.47 8.04 2dphB1 MET 362 HA -0.03 0.08 0.36 -0.75 4.52 4.17 2dphB1 MET 362 HB2 -0.03 -0.00 0.10 -0.04 2.15 2.18 2dphB1 MET 362 HB3 -0.05 -0.10 -0.06 -0.04 2.03 1.78 2dphB1 MET 362 HG2 0.00 0.28 -0.03 -0.04 2.63 2.84 2dphB1 MET 362 HG3 -0.02 -0.10 -0.07 -0.04 2.56 2.33 2dphB1 MET 362 HE3 -0.04 0.00 0.00 -0.04 2.10 2.03 2dphB1 ASN 363 H -0.03 0.31 -0.14 -0.55 8.53 8.13 2dphB1 ASN 363 HA -0.05 0.04 0.29 -0.75 4.76 4.28 2dphB1 ASN 363 HB2 -0.04 0.06 -0.11 -0.04 2.88 2.74 2dphB1 ASN 363 HB3 -0.08 0.28 0.17 -0.04 2.79 3.12 2dphB1 ASN 363 HD21 -0.07 -0.11 -0.15 -0.04 7.03 6.66 2dphB1 ASN 363 HD22 -0.10 0.26 -0.35 -0.04 7.74 7.52 2dphB1 ILE 364 H -0.06 0.07 -0.05 -0.55 8.25 7.66 2dphB1 ILE 364 HA -0.13 0.20 0.54 -0.75 4.18 4.04 2dphB1 ILE 364 HB -0.06 -0.04 0.07 -0.04 1.89 1.82 2dphB1 ILE 364 HG12 -0.06 -0.06 -0.05 -0.04 1.49 1.28 2dphB1 ILE 364 HG13 -0.05 -0.01 -0.03 -0.04 1.21 1.07 2dphB1 ILE 364 HG23 -0.06 -0.03 -0.17 -0.04 0.93 0.63 2dphB1 ILE 364 HD13 -0.07 0.00 -0.06 -0.04 0.88 0.72 2dphB1 GLU 365 H -0.17 0.61 0.25 -0.55 8.60 8.74 2dphB1 GLU 365 HA -0.04 0.13 0.76 -0.75 4.29 4.40 2dphB1 GLU 365 HB2 -0.25 -0.07 -0.00 -0.04 2.09 1.73 2dphB1 GLU 365 HB3 0.06 -0.01 -0.08 -0.04 1.99 1.91 2dphB1 GLU 365 HG2 -0.05 0.05 -0.04 -0.04 2.34 2.25 2dphB1 GLU 365 HG3 -0.16 0.13 -0.37 -0.04 2.34 1.90 2dphB1 VAL 366 H -0.00 0.17 0.07 -0.55 8.24 7.94 2dphB1 VAL 366 HA 0.01 0.30 0.87 -0.75 4.13 4.56 2dphB1 VAL 366 HB -0.01 -0.05 0.13 -0.04 2.12 2.16 2dphB1 VAL 366 HG13 -0.01 0.01 -0.10 -0.04 0.97 0.84 2dphB1 VAL 366 HG23 -0.02 0.01 -0.08 -0.04 0.95 0.82 2dphB1 ILE 367 H 0.03 0.55 0.34 -0.55 8.25 8.62 2dphB1 ILE 367 HA 0.01 0.19 0.87 -0.75 4.18 4.50 2dphB1 ILE 367 HB -0.03 -0.09 0.03 -0.04 1.89 1.77 2dphB1 ILE 367 HG12 0.06 0.04 -0.16 -0.04 1.49 1.39 2dphB1 ILE 367 HG13 -0.02 -0.01 -0.31 -0.04 1.21 0.82 2dphB1 ILE 367 HG23 0.07 0.02 -0.24 -0.04 0.93 0.74 2dphB1 ILE 367 HD13 -0.17 -0.02 -0.25 -0.04 0.88 0.41 2dphB1 THR 368 H -0.02 0.10 0.13 -0.55 8.28 7.94 2dphB1 THR 368 HA -0.03 0.29 0.79 -0.75 4.39 4.69 2dphB1 THR 368 HB -0.02 0.13 0.08 -0.04 4.32 4.46 2dphB1 THR 368 HG23 -0.02 -0.07 -0.03 -0.04 1.22 1.06 2dphB1 LEU 369 H -0.05 0.26 0.07 -0.55 8.37 8.10 2dphB1 LEU 369 HA -0.04 0.11 0.31 -0.75 4.35 3.98 2dphB1 LEU 369 HB2 -0.09 0.04 0.04 -0.04 1.64 1.59 2dphB1 LEU 369 HB3 -0.06 0.01 -0.00 -0.04 1.64 1.55 2dphB1 LEU 369 HG -0.04 -0.02 -0.23 -0.04 1.64 1.30 2dphB1 LEU 369 HD13 -0.04 0.03 -0.22 -0.04 0.93 0.66 2dphB1 LEU 369 HD23 -0.10 0.09 -0.13 -0.04 0.89 0.71 2dphB1 ASP 370 H -0.03 0.09 -0.11 -0.55 8.40 7.80 2dphB1 ASP 370 HA -0.02 0.15 0.50 -0.75 4.63 4.50 2dphB1 ASP 370 HB2 -0.02 -0.04 0.05 -0.04 2.71 2.66 2dphB1 ASP 370 HB3 -0.02 0.06 0.00 -0.04 2.70 2.70 2dphB1 GLN 371 H -0.03 0.05 -0.45 -0.55 8.47 7.49 2dphB1 GLN 371 HA -0.04 0.14 0.54 -0.75 4.36 4.24 2dphB1 GLN 371 HB2 -0.04 -0.01 0.07 -0.04 2.15 2.13 2dphB1 GLN 371 HB3 -0.06 0.01 0.06 -0.04 2.02 1.99 2dphB1 GLN 371 HG2 -0.03 0.07 0.02 -0.04 2.40 2.42 2dphB1 GLN 371 HG3 -0.02 -0.04 -0.03 -0.04 2.39 2.25 2dphB1 GLN 371 HE21 -0.00 0.06 0.01 -0.04 6.97 7.00 2dphB1 GLN 371 HE22 -0.01 0.03 -0.00 -0.04 7.69 7.67 2dphB1 ALA 372 H -0.04 0.31 -0.57 -0.55 8.40 7.56 2dphB1 ALA 372 HA -0.07 -0.02 0.26 -0.75 4.34 3.75 2dphB1 ALA 372 HB3 0.03 0.03 0.02 -0.04 1.41 1.44 2dphB1 PRO 373 HA -0.05 0.02 0.49 -0.51 4.44 4.40 2dphB1 PRO 373 HB2 -0.01 0.05 0.01 -0.04 2.28 2.29 2dphB1 PRO 373 HB3 -0.00 0.07 0.09 -0.04 2.02 2.14 2dphB1 PRO 373 HG2 -0.02 0.10 0.06 -0.04 2.03 2.12 2dphB1 PRO 373 HG3 -0.04 -0.02 -0.07 -0.04 2.03 1.86 2dphB1 PRO 373 HD2 -0.03 0.28 -0.13 -0.04 3.68 3.77 2dphB1 PRO 373 HD3 -0.02 0.13 0.03 -0.04 3.65 3.75 2dphB1 ASP 374 H -0.05 0.22 -0.28 -0.55 8.40 7.73 2dphB1 ASP 374 HA -0.03 0.06 0.51 -0.75 4.63 4.41 2dphB1 ASP 374 HB2 -0.07 0.12 0.14 -0.04 2.71 2.85 2dphB1 ASP 374 HB3 -0.08 -0.00 -0.05 -0.04 2.70 2.53 2dphB1 GLY 375 H -0.22 0.44 -0.13 -0.55 8.43 7.98 2dphB1 GLY 375 HA2 -1.08 0.02 0.42 -0.51 4.01 2.86 2dphB1 GLY 375 HA3 -0.76 0.04 0.27 -0.51 4.01 3.05 2dphB1 TYR 376 H -0.02 0.66 0.01 -0.55 8.29 8.39 2dphB1 TYR 376 HA -0.22 -0.04 0.42 -0.75 4.56 3.97 2dphB1 TYR 376 HB2 -0.35 0.13 0.18 -0.04 3.06 2.97 2dphB1 TYR 376 HB3 -1.17 0.02 -0.07 -0.04 2.98 1.71 2dphB1 TYR 376 HD2 -0.38 0.13 -0.08 -0.04 7.15 6.77 2dphB1 TYR 376 HE2 -0.04 0.02 -0.12 -0.04 6.85 6.67 2dphB1 ALA 377 H -0.05 0.52 -0.23 -0.55 8.40 8.10 2dphB1 ALA 377 HA 0.15 0.03 0.43 -0.75 4.34 4.19 2dphB1 ALA 377 HB3 0.09 0.03 0.11 -0.04 1.41 1.59 2dphB1 LYS 378 H -0.05 0.62 -0.06 -0.55 8.42 8.38 2dphB1 LYS 378 HA 0.07 0.05 0.50 -0.75 4.32 4.18 2dphB1 LYS 378 HB2 -0.07 0.08 0.19 -0.04 1.87 2.03 2dphB1 LYS 378 HB3 0.25 -0.07 -0.02 -0.04 1.79 1.91 2dphB1 LYS 378 HG2 0.05 -0.02 0.03 -0.04 1.46 1.48 2dphB1 LYS 378 HG3 -0.02 0.13 0.04 -0.04 1.46 1.57 2dphB1 LYS 378 HD2 0.18 -0.02 -0.03 -0.04 1.69 1.78 2dphB1 LYS 378 HD3 0.06 -0.01 -0.03 -0.04 1.68 1.66 2dphB1 LYS 378 HE2 -0.05 -0.02 -0.14 -0.04 2.99 2.75 2dphB1 LYS 378 HE3 -0.05 -0.01 -0.08 -0.04 2.99 2.80 2dphB1 PHE 379 H 0.18 0.64 -0.13 -0.55 8.34 8.49 2dphB1 PHE 379 HA 0.12 0.03 0.51 -0.75 4.62 4.52 2dphB1 PHE 379 HB2 0.15 0.06 0.10 -0.04 3.15 3.42 2dphB1 PHE 379 HB3 -0.10 0.07 0.13 -0.04 3.06 3.12 2dphB1 PHE 379 HD2 -0.05 0.04 -0.02 -0.04 7.28 7.21 2dphB1 PHE 379 HE2 -0.10 -0.01 -0.06 -0.04 7.38 7.17 2dphB1 PHE 379 HZ -0.08 -0.16 0.06 -0.04 7.32 7.10 2dphB1 ASP 380 H 0.10 0.64 -0.09 -0.55 8.40 8.51 2dphB1 ASP 380 HA -0.02 -0.04 0.44 -0.75 4.63 4.26 2dphB1 ASP 380 HB2 0.26 0.01 0.14 -0.04 2.71 3.08 2dphB1 ASP 380 HB3 0.19 0.18 0.15 -0.04 2.70 3.18 2dphB1 LYS 381 H 0.04 0.29 -0.59 -0.55 8.42 7.61 2dphB1 LYS 381 HA -0.01 0.15 0.78 -0.75 4.32 4.48 2dphB1 LYS 381 HB2 0.04 0.07 0.14 -0.04 1.87 2.08 2dphB1 LYS 381 HB3 0.02 -0.06 0.20 -0.04 1.79 1.90 2dphB1 LYS 381 HG2 0.03 0.01 -0.05 -0.04 1.46 1.41 2dphB1 LYS 381 HG3 0.06 0.10 -0.03 -0.04 1.46 1.55 2dphB1 LYS 381 HD2 0.02 -0.03 0.03 -0.04 1.69 1.68 2dphB1 LYS 381 HD3 0.03 -0.02 0.00 -0.04 1.68 1.65 2dphB1 LYS 381 HE2 0.04 0.02 -0.02 -0.04 2.99 2.98 2dphB1 LYS 381 HE3 0.03 -0.05 -0.01 -0.04 2.99 2.92 2dphB1 GLY 382 H -0.13 0.45 -0.39 -0.55 8.43 7.81 2dphB1 GLY 382 HA2 -0.18 -0.01 0.28 -0.51 4.01 3.59 2dphB1 GLY 382 HA3 -0.09 -0.01 0.33 -0.51 4.01 3.73 2dphB1 SER 383 H 0.00 0.30 -0.01 -0.55 8.46 8.20 2dphB1 SER 383 HA 0.03 0.07 0.43 -0.75 4.49 4.26 2dphB1 SER 383 HB2 0.17 0.11 -0.08 -0.04 3.95 4.11 2dphB1 SER 383 HB3 0.29 -0.06 -0.10 -0.04 3.93 4.02 2dphB1 PRO 384 HA -0.02 0.12 0.55 -0.51 4.44 4.58 2dphB1 PRO 384 HB2 -0.03 0.11 0.06 -0.04 2.28 2.38 2dphB1 PRO 384 HB3 -0.03 -0.13 -0.20 -0.04 2.02 1.63 2dphB1 PRO 384 HG2 -0.03 0.05 -0.07 -0.04 2.03 1.94 2dphB1 PRO 384 HG3 -0.02 -0.03 -0.01 -0.04 2.03 1.94 2dphB1 PRO 384 HD2 -0.00 0.05 0.12 -0.04 3.68 3.81 2dphB1 PRO 384 HD3 -0.01 0.15 0.19 -0.04 3.65 3.94 2dphB1 ALA 385 H -0.08 -0.02 -0.69 -0.55 8.40 7.07 2dphB1 ALA 385 HA -0.22 0.41 0.82 -0.75 4.34 4.60 2dphB1 ALA 385 HB3 -0.69 -0.04 -0.08 -0.04 1.41 0.56 2dphB1 LYS 386 H -0.26 0.68 0.15 -0.55 8.42 8.45 2dphB1 LYS 386 HA -0.31 0.08 0.86 -0.75 4.32 4.20 2dphB1 LYS 386 HB2 -0.12 0.08 0.06 -0.04 1.87 1.84 2dphB1 LYS 386 HB3 -0.14 0.01 0.00 -0.04 1.79 1.62 2dphB1 LYS 386 HG2 -0.10 -0.03 -0.07 -0.04 1.46 1.22 2dphB1 LYS 386 HG3 -0.14 -0.04 -0.31 -0.04 1.46 0.92 2dphB1 LYS 386 HD2 -0.27 0.08 0.10 -0.04 1.69 1.56 2dphB1 LYS 386 HD3 -0.15 -0.06 0.08 -0.04 1.68 1.51 2dphB1 LYS 386 HE2 -0.10 -0.05 -0.04 -0.04 2.99 2.76 2dphB1 LYS 386 HE3 -0.14 -0.01 -0.06 -0.04 2.99 2.73 2dphB1 PHE 387 H -0.33 0.18 0.03 -0.55 8.34 7.67 2dphB1 PHE 387 HA -0.12 0.27 0.65 -0.75 4.62 4.66 2dphB1 PHE 387 HB2 -0.32 -0.08 0.11 -0.04 3.15 2.82 2dphB1 PHE 387 HB3 -0.16 -0.01 -0.05 -0.04 3.06 2.81 2dphB1 PHE 387 HD2 -0.20 0.03 -0.06 -0.04 7.28 7.01 2dphB1 PHE 387 HE2 0.04 0.01 -0.09 -0.04 7.38 7.30 2dphB1 PHE 387 HZ 0.01 0.01 -0.07 -0.04 7.32 7.23 2dphB1 VAL 388 H 0.03 0.67 0.34 -0.55 8.24 8.73 2dphB1 VAL 388 HA -0.05 0.07 0.79 -0.75 4.13 4.18 2dphB1 VAL 388 HB -0.03 -0.01 0.02 -0.04 2.12 2.05 2dphB1 VAL 388 HG13 -0.04 -0.01 -0.25 -0.04 0.97 0.64 2dphB1 VAL 388 HG23 -0.07 0.03 -0.23 -0.04 0.95 0.64 2dphB1 ILE 389 H -0.05 0.82 0.22 -0.55 8.25 8.70 2dphB1 ILE 389 HA -0.02 0.18 0.67 -0.75 4.18 4.26 2dphB1 ILE 389 HB -0.04 0.12 0.13 -0.04 1.89 2.06 2dphB1 ILE 389 HG12 -0.04 0.02 -0.23 -0.04 1.49 1.20 2dphB1 ILE 389 HG13 -0.04 -0.10 -0.20 -0.04 1.21 0.83 2dphB1 ILE 389 HG23 -0.05 -0.02 -0.44 -0.04 0.93 0.38 2dphB1 ILE 389 HD13 -0.02 0.00 -0.12 -0.04 0.88 0.71 2dphB1 ASP 390 H -0.03 0.63 0.27 -0.55 8.40 8.73 2dphB1 ASP 390 HA -0.02 0.40 0.95 -0.75 4.63 5.20 2dphB1 ASP 390 HB2 -0.02 0.06 0.04 -0.04 2.71 2.74 2dphB1 ASP 390 HB3 -0.02 0.04 0.22 -0.04 2.70 2.90 2dphB1 PRO 391 HA -0.14 -0.10 0.33 -0.51 4.44 4.02 2dphB1 PRO 391 HB2 -0.41 0.01 -0.03 -0.04 2.28 1.80 2dphB1 PRO 391 HB3 -0.16 -0.05 -0.11 -0.04 2.02 1.66 2dphB1 PRO 391 HG2 -0.06 0.27 0.06 -0.04 2.03 2.27 2dphB1 PRO 391 HG3 -0.09 0.21 -0.03 -0.04 2.03 2.08 2dphB1 PRO 391 HD2 -0.02 0.34 0.04 -0.04 3.68 4.01 2dphB1 PRO 391 HD3 -0.05 0.19 -0.21 -0.04 3.65 3.53 2dphB1 HIS 392 H 0.00 0.06 -0.22 -0.55 8.41 7.71 2dphB1 HIS 392 HA -0.04 0.22 0.92 -0.75 4.63 4.99 2dphB1 HIS 392 HB2 -0.05 0.01 0.04 -0.04 3.26 3.22 2dphB1 HIS 392 HB3 -0.04 0.00 0.12 -0.04 3.20 3.25 2dphB1 HIS 392 HD2 -0.16 0.48 0.07 -0.04 6.97 7.31 2dphB1 HIS 392 HE1 -0.22 -0.03 0.02 -0.04 7.75 7.48 2dphB1 GLY 393 H 0.00 0.18 -0.11 -0.55 8.43 7.96 2dphB1 GLY 393 HA2 0.00 0.03 0.31 -0.51 4.01 3.84 2dphB1 GLY 393 HA3 0.01 0.12 0.46 -0.51 4.01 4.10 2dphB1 MET 394 H 0.03 0.05 -0.08 -0.55 8.47 7.93 2dphB1 MET 394 HA 0.01 0.20 0.54 -0.75 4.52 4.51 2dphB1 MET 394 HB2 0.01 0.04 0.03 -0.04 2.15 2.19 2dphB1 MET 394 HB3 0.00 0.00 0.09 -0.04 2.03 2.09 2dphB1 MET 394 HG2 0.02 0.09 -0.14 -0.04 2.63 2.56 2dphB1 MET 394 HG3 0.07 -0.08 -0.07 -0.04 2.56 2.43 2dphB1 MET 394 HE3 -0.11 0.05 -0.16 -0.04 2.10 1.84 2dphB1 LEU 395 H -0.00 0.04 -0.29 -0.55 8.37 7.57 2dphB1 LEU 395 HA -0.02 0.22 0.68 -0.75 4.35 4.48 2dphB1 LEU 395 HB2 -0.01 -0.04 0.02 -0.04 1.64 1.57 2dphB1 LEU 395 HB3 -0.02 -0.01 0.12 -0.04 1.64 1.69 2dphB1 LEU 395 HG -0.02 0.06 -0.08 -0.04 1.64 1.55 2dphB1 LEU 395 HD13 -0.01 -0.02 -0.20 -0.04 0.93 0.66 2dphB1 LEU 395 HD23 -0.02 -0.01 -0.11 -0.04 0.89 0.70 2dphB1 LYS 396 H -0.01 0.21 -0.57 -0.55 8.42 7.49 2dphB1 LYS 396 HA -0.01 0.06 0.23 -0.75 4.32 3.85 2dphB1 LYS 396 HB2 -0.02 0.02 -0.17 -0.04 1.87 1.66 2dphB1 LYS 396 HB3 -0.01 0.08 0.09 -0.04 1.79 1.91 2dphB1 LYS 396 HG2 -0.01 0.03 -0.01 -0.04 1.46 1.43 2dphB1 LYS 396 HG3 -0.01 0.03 -0.01 -0.04 1.46 1.43 2dphB1 LYS 396 HD2 -0.01 0.01 -0.03 -0.04 1.69 1.62 2dphB1 LYS 396 HD3 -0.01 -0.00 -0.02 -0.04 1.68 1.61 2dphB1 LYS 396 HE2 -0.01 0.02 0.01 -0.04 2.99 2.97 2dphB1 LYS 396 HE3 -0.01 -0.01 -0.01 -0.04 2.99 2.92 2dphB1 ASN 397 H -0.01 0.16 0.01 -0.55 8.53 8.14 2dphB1 ASN 397 HA -0.01 0.04 0.23 -0.75 4.76 4.26 2dphB1 ASN 397 HB2 -0.01 0.11 -0.04 -0.04 2.88 2.90 2dphB1 ASN 397 HB3 -0.01 -0.03 0.15 -0.04 2.79 2.86 2dphB1 ASN 397 HD21 -0.00 -0.04 0.00 -0.04 7.03 6.95 2dphB1 ASN 397 HD22 -0.00 0.04 0.03 -0.04 7.74 7.76 2dphB1 LYS 398 H -0.01 0.20 -0.00 -0.55 8.42 8.04 2dphB1 LYS 398 HA -0.02 0.05 0.20 -0.75 4.32 3.80 2dphB1 LYS 398 HB2 -0.01 0.17 -0.09 -0.04 1.87 1.90 2dphB1 LYS 398 HB3 -0.01 0.02 0.09 -0.04 1.79 1.85 2dphB1 LYS 398 HG2 -0.01 0.01 0.02 -0.04 1.46 1.44 2dphB1 LYS 398 HG3 -0.01 -0.06 -0.09 -0.04 1.46 1.27 2dphB1 LYS 398 HD2 -0.00 -0.00 -0.03 -0.04 1.69 1.61 2dphB1 LYS 398 HD3 -0.00 0.03 -0.07 -0.04 1.68 1.59 2dphB1 LYS 398 HE2 -0.01 0.02 0.01 -0.04 2.99 2.97 2dphB1 LYS 398 HE3 -0.00 0.00 0.01 -0.04 2.99 2.96