============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. PHE 3 1.000 44.514 -5.981 55.414 -99.200 -91.000 TYR 4 0.840 50.943 -11.975 52.566 -99.200 -91.000 PHE 13 1.000 50.318 -5.490 44.439 -99.200 -91.000 TYR 19 0.840 42.689 -11.896 48.253 -99.200 -91.000 TYR 37 0.840 45.002 -21.205 46.681 -99.200 -91.000 PHE 54 1.000 42.545 8.357 47.734 -99.200 -91.000 HIS 59 0.900 47.206 9.290 39.167 -99.200 -91.000 TYR 64 0.840 33.102 7.405 42.716 -99.200 -91.000 HIS 75 0.900 28.301 -8.668 28.340 -99.200 -91.000 PHE 85 1.000 42.704 -6.326 49.635 -99.200 -91.000 PHE 94 1.000 40.952 4.812 50.933 -99.200 -91.000 TYR 98 0.840 46.427 -3.454 47.786 -99.200 -91.000 HIS 117 0.900 39.695 -16.349 8.082 -99.200 -91.000 TYR 122 0.840 34.345 -17.416 21.231 -99.200 -91.000 TYR 125 0.840 29.240 -12.971 19.591 -99.200 -91.000 HIS 132 0.900 26.370 -4.918 29.978 -99.200 -91.000 HIS 134 0.900 29.498 1.709 22.882 -99.200 -91.000 HIS 140 0.900 37.637 1.101 27.259 -99.200 -91.000 PHE 160 1.000 34.300 -0.947 33.779 -99.200 -91.000 TYR 165 0.840 51.599 2.729 19.129 -99.200 -91.000 TYR 166 0.840 46.194 -0.700 19.503 -99.200 -91.000 TYR 177 0.840 33.474 10.777 23.429 -99.200 -91.000 TRP 184 1.040 40.717 4.131 14.702 -99.200 -91.000 TRP6 184 1.020 40.699 4.595 12.377 -99.200 -91.000 HIS 196 0.900 50.233 -12.405 12.622 -99.200 -91.000 PHE 200 1.000 45.874 2.885 10.996 -99.200 -91.000 TYR 205 0.840 48.434 13.793 20.802 -99.200 -91.000 TRP 209 1.040 46.151 13.330 10.278 -99.200 -91.000 TRP6 209 1.020 44.098 12.149 10.388 -99.200 -91.000 PHE 223 1.000 38.004 13.842 10.003 -99.200 -91.000 TYR 234 0.840 49.000 18.478 11.576 -99.200 -91.000 TYR 241 0.840 50.497 10.632 2.389 -99.200 -91.000 PHE 246 1.000 40.169 -0.946 4.219 -99.200 -91.000 PHE 250 1.000 44.297 -5.071 6.939 -99.200 -91.000 PHE 255 1.000 43.030 -12.103 5.271 -99.200 -91.000 HIS 261 0.900 35.240 -21.772 6.478 -99.200 -91.000 HIS 293 0.900 30.897 -8.020 7.912 -99.200 -91.000 TYR 295 0.840 35.960 -12.664 10.107 -99.200 -91.000 TRP 299 1.040 31.531 -16.543 16.558 -99.200 -91.000 TRP6 299 1.020 32.179 -18.691 17.339 -99.200 -91.000 TYR 300 0.840 20.900 -13.978 17.570 -99.200 -91.000 HIS 309 0.900 32.945 15.220 43.810 -99.200 -91.000 TRP 314 1.040 37.701 13.278 43.400 -99.200 -91.000 TRP6 314 1.020 36.010 12.100 42.221 -99.200 -91.000 TYR 319 0.840 37.485 4.367 54.542 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2r9sB1 ASN 46 HA 0.41 -0.03 0.17 -0.75 4.76 4.56 2r9sB1 ASN 46 HB2 0.10 0.03 0.08 -0.04 2.88 3.05 2r9sB1 ASN 46 HB3 0.06 -0.00 0.05 -0.04 2.79 2.86 2r9sB1 ASN 46 HD21 0.07 0.13 0.09 -0.04 7.03 7.27 2r9sB1 ASN 46 HD22 0.04 0.03 0.07 -0.04 7.74 7.85 2r9sB1 GLN 47 H 0.02 0.11 0.11 -0.55 8.47 8.16 2r9sB1 GLN 47 HA -0.08 0.02 0.30 -0.75 4.36 3.85 2r9sB1 GLN 47 HB2 -0.23 -0.18 0.27 -0.04 2.15 1.98 2r9sB1 GLN 47 HB3 -0.14 0.01 0.19 -0.04 2.02 2.04 2r9sB1 GLN 47 HG2 -0.21 0.34 0.36 -0.04 2.40 2.84 2r9sB1 GLN 47 HG3 -0.63 -0.04 0.07 -0.04 2.39 1.74 2r9sB1 GLN 47 HE21 -0.16 -0.04 0.03 -0.04 6.97 6.77 2r9sB1 GLN 47 HE22 -0.14 0.12 0.05 -0.04 7.69 7.67 2r9sB1 PHE 48 H 0.18 0.07 0.00 -0.55 8.34 8.04 2r9sB1 PHE 48 HA 0.03 0.34 0.81 -0.75 4.62 5.04 2r9sB1 PHE 48 HB2 0.03 -0.04 -0.06 -0.04 3.15 3.04 2r9sB1 PHE 48 HB3 -0.01 0.00 -0.16 -0.04 3.06 2.85 2r9sB1 PHE 48 HD2 -0.05 -0.08 -0.35 -0.04 7.28 6.76 2r9sB1 PHE 48 HE2 -0.04 0.03 -0.16 -0.04 7.38 7.17 2r9sB1 PHE 48 HZ 0.05 0.08 -0.09 -0.04 7.32 7.32 2r9sB1 TYR 49 H 0.16 0.63 0.29 -0.55 8.29 8.82 2r9sB1 TYR 49 HA 0.09 0.09 0.42 -0.75 4.56 4.41 2r9sB1 TYR 49 HB2 0.05 -0.04 0.16 -0.04 3.06 3.20 2r9sB1 TYR 49 HB3 0.04 0.02 -0.06 -0.04 2.98 2.95 2r9sB1 TYR 49 HD2 0.03 0.02 -0.13 -0.04 7.15 7.02 2r9sB1 TYR 49 HE2 0.05 0.10 -0.11 -0.04 6.85 6.86 2r9sB1 SER 50 H 0.15 0.19 0.21 -0.55 8.46 8.47 2r9sB1 SER 50 HA -0.10 0.41 1.08 -0.75 4.49 5.13 2r9sB1 SER 50 HB2 0.07 -0.04 -0.00 -0.04 3.95 3.93 2r9sB1 SER 50 HB3 0.05 0.02 -0.06 -0.04 3.93 3.89 2r9sB1 VAL 51 H 0.03 0.67 0.34 -0.55 8.24 8.73 2r9sB1 VAL 51 HA 0.07 0.05 0.68 -0.75 4.13 4.17 2r9sB1 VAL 51 HB 0.09 0.05 -0.27 -0.04 2.12 1.94 2r9sB1 VAL 51 HG13 -0.01 -0.00 -0.12 -0.04 0.97 0.80 2r9sB1 VAL 51 HG23 0.08 0.03 0.04 -0.04 0.95 1.06 2r9sB1 GLU 52 H 0.04 0.14 0.16 -0.55 8.60 8.39 2r9sB1 GLU 52 HA 0.06 0.17 0.75 -0.75 4.29 4.52 2r9sB1 GLU 52 HB2 0.02 -0.03 0.12 -0.04 2.09 2.15 2r9sB1 GLU 52 HB3 0.03 0.12 -0.03 -0.04 1.99 2.07 2r9sB1 GLU 52 HG2 0.04 -0.09 0.04 -0.04 2.34 2.29 2r9sB1 GLU 52 HG3 0.03 0.00 -0.00 -0.04 2.34 2.33 2r9sB1 VAL 53 H 0.04 0.73 0.24 -0.55 8.24 8.70 2r9sB1 VAL 53 HA -0.10 0.16 0.86 -0.75 4.13 4.29 2r9sB1 VAL 53 HB -0.28 -0.07 -0.03 -0.04 2.12 1.69 2r9sB1 VAL 53 HG13 -0.39 -0.00 -0.18 -0.04 0.97 0.36 2r9sB1 VAL 53 HG23 -0.50 0.03 -0.33 -0.04 0.95 0.11 2r9sB1 GLY 54 H -0.04 0.17 0.10 -0.55 8.43 8.11 2r9sB1 GLY 54 HA2 -0.01 0.06 0.33 -0.51 4.01 3.88 2r9sB1 GLY 54 HA3 -0.00 0.02 0.54 -0.51 4.01 4.05 2r9sB1 ASP 55 H 0.02 0.09 0.18 -0.55 8.40 8.14 2r9sB1 ASP 55 HA 0.02 0.14 0.70 -0.75 4.63 4.73 2r9sB1 ASP 55 HB2 0.02 -0.01 0.09 -0.04 2.71 2.77 2r9sB1 ASP 55 HB3 0.02 0.00 0.16 -0.04 2.70 2.84 2r9sB1 SER 56 H 0.05 0.58 -0.21 -0.55 8.46 8.34 2r9sB1 SER 56 HA 0.05 0.26 1.08 -0.75 4.49 5.13 2r9sB1 SER 56 HB2 0.08 -0.08 0.12 -0.04 3.95 4.03 2r9sB1 SER 56 HB3 0.06 -0.03 -0.12 -0.04 3.93 3.80 2r9sB1 THR 57 H 0.11 0.22 0.12 -0.55 8.28 8.17 2r9sB1 THR 57 HA 0.14 0.20 0.86 -0.75 4.39 4.84 2r9sB1 THR 57 HB 0.08 -0.03 0.08 -0.04 4.32 4.41 2r9sB1 THR 57 HG23 0.08 -0.00 -0.22 -0.04 1.22 1.03 2r9sB1 PHE 58 H 0.36 0.43 0.23 -0.55 8.34 8.81 2r9sB1 PHE 58 HA 0.26 0.10 0.80 -0.75 4.62 5.03 2r9sB1 PHE 58 HB2 0.04 0.07 0.08 -0.04 3.15 3.30 2r9sB1 PHE 58 HB3 0.05 0.01 -0.14 -0.04 3.06 2.93 2r9sB1 PHE 58 HD2 0.11 -0.06 -0.24 -0.04 7.28 7.06 2r9sB1 PHE 58 HE2 0.06 0.06 -0.12 -0.04 7.38 7.33 2r9sB1 PHE 58 HZ 0.01 0.20 -0.14 -0.04 7.32 7.35 2r9sB1 THR 59 H 0.14 0.22 0.03 -0.55 8.28 8.13 2r9sB1 THR 59 HA -0.05 0.31 0.75 -0.75 4.39 4.65 2r9sB1 THR 59 HB 0.01 -0.03 0.08 -0.04 4.32 4.34 2r9sB1 THR 59 HG23 -0.01 -0.00 -0.22 -0.04 1.22 0.95 2r9sB1 VAL 60 H -0.11 0.63 0.21 -0.55 8.24 8.43 2r9sB1 VAL 60 HA 0.12 0.16 0.81 -0.75 4.13 4.47 2r9sB1 VAL 60 HB 0.22 -0.02 -0.05 -0.04 2.12 2.23 2r9sB1 VAL 60 HG13 0.00 -0.02 -0.39 -0.04 0.97 0.53 2r9sB1 VAL 60 HG23 -0.08 0.06 -0.21 -0.04 0.95 0.67 2r9sB1 LEU 61 H -0.64 0.11 0.05 -0.55 8.37 7.35 2r9sB1 LEU 61 HA -0.63 0.31 0.58 -0.75 4.35 3.86 2r9sB1 LEU 61 HB2 -0.51 -0.04 0.08 -0.04 1.64 1.12 2r9sB1 LEU 61 HB3 -0.55 -0.08 0.05 -0.04 1.64 1.02 2r9sB1 LEU 61 HG -1.10 -0.03 0.00 -0.04 1.64 0.47 2r9sB1 LEU 61 HD13 -0.36 0.01 -0.03 -0.04 0.93 0.52 2r9sB1 LEU 61 HD23 -1.01 0.03 -0.06 -0.04 0.89 -0.18 2r9sB1 LYS 62 H -0.21 0.64 0.34 -0.55 8.42 8.64 2r9sB1 LYS 62 HA 0.16 0.13 0.24 -0.75 4.32 4.09 2r9sB1 LYS 62 HB2 -0.13 -0.04 0.11 -0.04 1.87 1.77 2r9sB1 LYS 62 HB3 -0.12 -0.02 -0.03 -0.04 1.79 1.58 2r9sB1 LYS 62 HG2 0.12 0.03 -0.28 -0.04 1.46 1.29 2r9sB1 LYS 62 HG3 -0.04 -0.10 -0.20 -0.04 1.46 1.08 2r9sB1 LYS 62 HD2 -0.15 -0.02 -0.05 -0.04 1.69 1.43 2r9sB1 LYS 62 HD3 -0.25 0.00 -0.10 -0.04 1.68 1.30 2r9sB1 LYS 62 HE2 -0.05 -0.03 -0.04 -0.04 2.99 2.83 2r9sB1 LYS 62 HE3 -0.03 -0.00 -0.06 -0.04 2.99 2.86 2r9sB1 ARG 63 H -0.29 0.04 -0.32 -0.55 8.46 7.34 2r9sB1 ARG 63 HA -0.19 0.03 0.44 -0.75 4.34 3.86 2r9sB1 ARG 63 HB2 -0.39 -0.28 0.07 -0.04 1.90 1.25 2r9sB1 ARG 63 HB3 -0.34 0.06 0.07 -0.04 1.80 1.54 2r9sB1 ARG 63 HG2 -0.84 -0.05 -0.11 -0.04 1.67 0.62 2r9sB1 ARG 63 HG3 -1.78 0.06 -0.22 -0.04 1.67 -0.31 2r9sB1 ARG 63 HD2 -0.40 0.03 -0.02 -0.04 3.22 2.78 2r9sB1 ARG 63 HD3 -0.66 0.06 -0.06 -0.04 3.22 2.52 2r9sB1 TYR 64 H -0.20 0.50 -0.38 -0.55 8.29 7.65 2r9sB1 TYR 64 HA 0.02 0.17 0.56 -0.75 4.56 4.55 2r9sB1 TYR 64 HB2 0.07 0.08 -0.01 -0.04 3.06 3.16 2r9sB1 TYR 64 HB3 0.11 -0.03 -0.16 -0.04 2.98 2.86 2r9sB1 TYR 64 HD2 -0.08 0.00 -0.16 -0.04 7.15 6.87 2r9sB1 TYR 64 HE2 -0.10 0.01 -0.14 -0.04 6.85 6.58 2r9sB1 GLN 65 H 0.22 0.64 0.37 -0.55 8.47 9.16 2r9sB1 GLN 65 HA 0.24 0.18 1.00 -0.75 4.36 5.03 2r9sB1 GLN 65 HB2 0.25 0.00 0.06 -0.04 2.15 2.41 2r9sB1 GLN 65 HB3 0.11 -0.07 0.04 -0.04 2.02 2.06 2r9sB1 GLN 65 HG2 -0.04 -0.04 -0.08 -0.04 2.40 2.19 2r9sB1 GLN 65 HG3 0.05 0.14 -0.68 -0.04 2.39 1.86 2r9sB1 GLN 65 HE21 -0.01 -0.11 -0.03 -0.04 6.97 6.78 2r9sB1 GLN 65 HE22 -0.05 0.36 0.01 -0.04 7.69 7.96 2r9sB1 ASN 66 H 0.16 0.15 0.14 -0.55 8.53 8.44 2r9sB1 ASN 66 HA 0.09 0.05 0.30 -0.75 4.76 4.44 2r9sB1 ASN 66 HB2 0.09 -0.08 -0.40 -0.04 2.88 2.45 2r9sB1 ASN 66 HB3 0.12 0.12 0.10 -0.04 2.79 3.09 2r9sB1 ASN 66 HD21 0.01 -0.01 -0.02 -0.04 7.03 6.97 2r9sB1 ASN 66 HD22 0.02 -0.00 -0.04 -0.04 7.74 7.68 2r9sB1 LEU 67 H 0.15 -0.00 -0.14 -0.55 8.37 7.83 2r9sB1 LEU 67 HA 0.07 0.21 0.32 -0.75 4.35 4.20 2r9sB1 LEU 67 HB2 0.05 -0.05 -0.01 -0.04 1.64 1.58 2r9sB1 LEU 67 HB3 -0.07 -0.01 -0.22 -0.04 1.64 1.30 2r9sB1 LEU 67 HG 0.11 0.04 -0.25 -0.04 1.64 1.50 2r9sB1 LEU 67 HD13 0.21 -0.02 -0.36 -0.04 0.93 0.71 2r9sB1 LEU 67 HD23 0.17 -0.01 -0.19 -0.04 0.89 0.82 2r9sB1 LYS 68 H 0.01 0.60 0.37 -0.55 8.42 8.85 2r9sB1 LYS 68 HA -0.02 0.13 0.83 -0.75 4.32 4.49 2r9sB1 LYS 68 HB2 0.01 0.03 -0.02 -0.04 1.87 1.85 2r9sB1 LYS 68 HB3 0.02 0.05 0.20 -0.04 1.79 2.01 2r9sB1 LYS 68 HG2 -0.01 0.10 -0.25 -0.04 1.46 1.26 2r9sB1 LYS 68 HG3 -0.00 -0.03 0.02 -0.04 1.46 1.41 2r9sB1 LYS 68 HD2 0.01 -0.02 -0.01 -0.04 1.69 1.63 2r9sB1 LYS 68 HD3 0.01 -0.03 -0.01 -0.04 1.68 1.61 2r9sB1 LYS 68 HE2 0.00 0.01 -0.03 -0.04 2.99 2.93 2r9sB1 LYS 68 HE3 0.00 0.01 -0.01 -0.04 2.99 2.95 2r9sB1 PRO 69 HA -0.08 0.17 0.68 -0.51 4.44 4.70 2r9sB1 PRO 69 HB2 -0.04 0.04 -0.00 -0.04 2.28 2.23 2r9sB1 PRO 69 HB3 -0.10 -0.03 0.07 -0.04 2.02 1.91 2r9sB1 PRO 69 HG2 -0.04 0.02 0.13 -0.04 2.03 2.10 2r9sB1 PRO 69 HG3 -0.09 -0.07 0.12 -0.04 2.03 1.94 2r9sB1 PRO 69 HD2 -0.04 0.10 0.25 -0.04 3.68 3.95 2r9sB1 PRO 69 HD3 -0.08 0.18 0.17 -0.04 3.65 3.87 2r9sB1 ILE 70 H -0.02 0.70 0.38 -0.55 8.25 8.76 2r9sB1 ILE 70 HA -0.01 0.16 0.95 -0.75 4.18 4.54 2r9sB1 ILE 70 HB 0.00 -0.04 -0.01 -0.04 1.89 1.79 2r9sB1 ILE 70 HG12 0.00 -0.06 -0.22 -0.04 1.49 1.18 2r9sB1 ILE 70 HG13 0.01 0.01 -0.21 -0.04 1.21 0.97 2r9sB1 ILE 70 HG23 0.00 0.02 -0.18 -0.04 0.93 0.74 2r9sB1 ILE 70 HD13 0.02 0.00 -0.22 -0.04 0.88 0.64 2r9sB1 GLY 71 H -0.00 0.09 0.11 -0.55 8.43 8.09 2r9sB1 GLY 71 HA2 0.00 0.00 0.32 -0.51 4.01 3.82 2r9sB1 GLY 71 HA3 -0.00 0.03 0.38 -0.51 4.01 3.91 2r9sB1 SER 72 H -0.00 0.13 0.20 -0.55 8.46 8.24 2r9sB1 SER 72 HA 0.01 0.09 0.73 -0.75 4.49 4.56 2r9sB1 SER 72 HB2 0.01 -0.04 0.11 -0.04 3.95 3.99 2r9sB1 SER 72 HB3 0.01 0.02 0.14 -0.04 3.93 4.05 2r9sB1 GLY 73 H 0.01 0.14 0.16 -0.55 8.43 8.18 2r9sB1 GLY 73 HA2 0.01 0.35 0.83 -0.51 4.01 4.69 2r9sB1 GLY 73 HA3 0.01 -0.03 0.32 -0.51 4.01 3.80 2r9sB1 ALA 74 H 0.00 0.07 -0.29 -0.55 8.40 7.64 2r9sB1 ALA 74 HA -0.00 0.06 0.23 -0.75 4.34 3.87 2r9sB1 ALA 74 HB3 -0.00 0.01 0.03 -0.04 1.41 1.41 2r9sB1 GLN 75 H -0.01 0.28 -0.52 -0.55 8.47 7.67 2r9sB1 GLN 75 HA -0.06 0.18 0.88 -0.75 4.36 4.61 2r9sB1 GLN 75 HB2 -0.03 -0.04 -0.15 -0.04 2.15 1.88 2r9sB1 GLN 75 HB3 -0.03 0.06 -0.02 -0.04 2.02 2.00 2r9sB1 GLN 75 HG2 -0.04 -0.03 0.01 -0.04 2.40 2.30 2r9sB1 GLN 75 HG3 -0.06 0.01 0.16 -0.04 2.39 2.46 2r9sB1 GLN 75 HE21 -0.19 -0.03 -0.00 -0.04 6.97 6.70 2r9sB1 GLN 75 HE22 -0.12 -0.02 -0.00 -0.04 7.69 7.50 2r9sB1 GLY 76 H -0.02 0.26 -0.16 -0.55 8.43 7.96 2r9sB1 GLY 76 HA2 -0.04 -0.07 0.42 -0.51 4.01 3.81 2r9sB1 GLY 76 HA3 -0.06 0.25 0.55 -0.51 4.01 4.24 2r9sB1 ILE 77 H 0.07 0.16 0.20 -0.55 8.25 8.12 2r9sB1 ILE 77 HA 0.06 0.03 0.53 -0.75 4.18 4.04 2r9sB1 ILE 77 HB 0.42 -0.03 0.07 -0.04 1.89 2.31 2r9sB1 ILE 77 HG12 0.06 0.02 0.02 -0.04 1.49 1.55 2r9sB1 ILE 77 HG13 0.08 -0.05 0.10 -0.04 1.21 1.31 2r9sB1 ILE 77 HG23 -0.01 0.01 -0.13 -0.04 0.93 0.76 2r9sB1 ILE 77 HD13 0.14 -0.00 -0.03 -0.04 0.88 0.95 2r9sB1 VAL 78 H 0.04 0.26 0.20 -0.55 8.24 8.19 2r9sB1 VAL 78 HA 0.15 0.30 1.00 -0.75 4.13 4.82 2r9sB1 VAL 78 HB 0.03 0.08 0.02 -0.04 2.12 2.21 2r9sB1 VAL 78 HG13 0.04 -0.01 -0.24 -0.04 0.97 0.72 2r9sB1 VAL 78 HG23 0.03 0.02 -0.24 -0.04 0.95 0.72 2r9sB1 CYS 79 H 0.15 0.69 0.28 -0.55 8.50 9.07 2r9sB1 CYS 79 HA -0.04 0.20 0.91 -0.75 4.58 4.90 2r9sB1 CYS 79 HB2 0.09 0.00 -0.02 -0.04 2.97 3.00 2r9sB1 CYS 79 HB3 -0.02 0.03 -0.18 -0.04 2.97 2.75 2r9sB1 ALA 80 H 0.01 0.84 0.38 -0.55 8.40 9.08 2r9sB1 ALA 80 HA 0.04 0.20 0.87 -0.75 4.34 4.69 2r9sB1 ALA 80 HB3 0.03 -0.01 0.11 -0.04 1.41 1.50 2r9sB1 ALA 81 H 0.08 0.64 0.35 -0.55 8.40 8.92 2r9sB1 ALA 81 HA 0.12 0.29 0.72 -0.75 4.34 4.72 2r9sB1 ALA 81 HB3 0.13 -0.03 -0.35 -0.04 1.41 1.12 2r9sB1 TYR 82 H 0.25 0.80 0.29 -0.55 8.29 9.07 2r9sB1 TYR 82 HA 0.08 0.17 1.05 -0.75 4.56 5.11 2r9sB1 TYR 82 HB2 0.05 0.00 -0.02 -0.04 3.06 3.05 2r9sB1 TYR 82 HB3 0.06 0.01 0.12 -0.04 2.98 3.13 2r9sB1 TYR 82 HD2 0.03 -0.03 -0.18 -0.04 7.15 6.93 2r9sB1 TYR 82 HE2 0.01 -0.00 -0.19 -0.04 6.85 6.63 2r9sB1 ASP 83 H -0.27 1.06 0.39 -0.55 8.40 9.03 2r9sB1 ASP 83 HA -0.15 0.22 0.82 -0.75 4.63 4.77 2r9sB1 ASP 83 HB2 0.19 0.04 -0.09 -0.04 2.71 2.80 2r9sB1 ASP 83 HB3 -0.08 0.06 0.11 -0.04 2.70 2.75 2r9sB1 ALA 84 H -0.30 0.80 0.28 -0.55 8.40 8.63 2r9sB1 ALA 84 HA -0.32 0.08 0.37 -0.75 4.34 3.71 2r9sB1 ALA 84 HB3 -0.02 0.01 0.09 -0.04 1.41 1.44 2r9sB1 VAL 85 H -0.22 0.04 -0.05 -0.55 8.24 7.46 2r9sB1 VAL 85 HA -0.09 0.14 0.61 -0.75 4.13 4.03 2r9sB1 VAL 85 HB -0.16 -0.05 0.04 -0.04 2.12 1.91 2r9sB1 VAL 85 HG13 -0.08 0.02 -0.10 -0.04 0.97 0.77 2r9sB1 VAL 85 HG23 -0.16 -0.01 0.03 -0.04 0.95 0.77 2r9sB1 LEU 86 H -0.13 -0.00 -0.25 -0.55 8.37 7.44 2r9sB1 LEU 86 HA -0.04 0.18 0.55 -0.75 4.35 4.28 2r9sB1 LEU 86 HB2 -0.04 -0.06 -0.02 -0.04 1.64 1.48 2r9sB1 LEU 86 HB3 -0.02 0.05 -0.03 -0.04 1.64 1.60 2r9sB1 LEU 86 HG -0.03 -0.10 -0.11 -0.04 1.64 1.36 2r9sB1 LEU 86 HD13 0.03 0.01 -0.08 -0.04 0.93 0.86 2r9sB1 LEU 86 HD23 -0.01 0.03 -0.07 -0.04 0.89 0.79 2r9sB1 ASP 87 H -0.17 0.05 -0.44 -0.55 8.40 7.29 2r9sB1 ASP 87 HA -0.16 0.00 0.30 -0.75 4.63 4.02 2r9sB1 ASP 87 HB2 0.07 0.03 0.04 -0.04 2.71 2.81 2r9sB1 ASP 87 HB3 0.03 0.11 0.05 -0.04 2.70 2.86 2r9sB1 ARG 88 H -0.15 0.18 -0.03 -0.55 8.46 7.91 2r9sB1 ARG 88 HA 0.13 0.10 0.04 -0.75 4.34 3.86 2r9sB1 ARG 88 HB2 0.05 -0.08 0.22 -0.04 1.90 2.05 2r9sB1 ARG 88 HB3 0.04 0.16 0.15 -0.04 1.80 2.11 2r9sB1 ARG 88 HG2 -0.00 -0.13 -0.18 -0.04 1.67 1.32 2r9sB1 ARG 88 HG3 0.03 0.08 -0.24 -0.04 1.67 1.50 2r9sB1 ARG 88 HD2 0.02 0.03 -0.02 -0.04 3.22 3.21 2r9sB1 ARG 88 HD3 0.02 -0.01 -0.08 -0.04 3.22 3.10 2r9sB1 ASN 89 H 0.09 0.18 0.17 -0.55 8.53 8.43 2r9sB1 ASN 89 HA 0.12 0.22 1.06 -0.75 4.76 5.41 2r9sB1 ASN 89 HB2 0.08 -0.02 0.14 -0.04 2.88 3.04 2r9sB1 ASN 89 HB3 0.09 0.08 0.05 -0.04 2.79 2.97 2r9sB1 ASN 89 HD21 0.08 -0.01 -0.04 -0.04 7.03 7.01 2r9sB1 ASN 89 HD22 0.07 0.02 0.00 -0.04 7.74 7.79 2r9sB1 VAL 90 H 0.08 0.60 0.37 -0.55 8.24 8.74 2r9sB1 VAL 90 HA 0.04 0.14 0.77 -0.75 4.13 4.32 2r9sB1 VAL 90 HB 0.01 0.13 -0.01 -0.04 2.12 2.20 2r9sB1 VAL 90 HG13 0.08 -0.02 -0.36 -0.04 0.97 0.63 2r9sB1 VAL 90 HG23 0.05 -0.02 -0.27 -0.04 0.95 0.66 2r9sB1 ALA 91 H 0.02 0.73 0.15 -0.55 8.40 8.75 2r9sB1 ALA 91 HA 0.03 0.36 0.99 -0.75 4.34 4.98 2r9sB1 ALA 91 HB3 0.02 -0.01 -0.02 -0.04 1.41 1.36 2r9sB1 ILE 92 H 0.07 0.59 0.24 -0.55 8.25 8.60 2r9sB1 ILE 92 HA 0.01 0.40 1.23 -0.75 4.18 5.07 2r9sB1 ILE 92 HB 0.21 -0.08 -0.03 -0.04 1.89 1.95 2r9sB1 ILE 92 HG12 -0.32 0.02 -0.21 -0.04 1.49 0.93 2r9sB1 ILE 92 HG13 -0.12 -0.04 -0.56 -0.04 1.21 0.44 2r9sB1 ILE 92 HG23 0.19 -0.01 -0.32 -0.04 0.93 0.75 2r9sB1 ILE 92 HD13 -0.15 -0.02 -0.25 -0.04 0.88 0.42 2r9sB1 LYS 93 H 0.00 0.79 0.32 -0.55 8.42 8.98 2r9sB1 LYS 93 HA 0.09 0.29 1.02 -0.75 4.32 4.97 2r9sB1 LYS 93 HB2 0.00 -0.01 -0.06 -0.04 1.87 1.77 2r9sB1 LYS 93 HB3 -0.05 -0.06 0.10 -0.04 1.79 1.74 2r9sB1 LYS 93 HG2 -0.08 0.02 -0.44 -0.04 1.46 0.92 2r9sB1 LYS 93 HG3 -0.00 0.05 -0.32 -0.04 1.46 1.15 2r9sB1 LYS 93 HD2 -0.02 0.00 -0.14 -0.04 1.69 1.49 2r9sB1 LYS 93 HD3 -0.05 -0.05 -0.14 -0.04 1.68 1.40 2r9sB1 LYS 93 HE2 -0.07 -0.00 -0.10 -0.04 2.99 2.77 2r9sB1 LYS 93 HE3 -0.03 -0.01 -0.33 -0.04 2.99 2.57 2r9sB1 LYS 94 H -0.09 0.41 0.20 -0.55 8.42 8.39 2r9sB1 LYS 94 HA -0.88 0.24 0.95 -0.75 4.32 3.87 2r9sB1 LYS 94 HB2 -1.53 -0.04 0.07 -0.04 1.87 0.33 2r9sB1 LYS 94 HB3 -0.45 -0.09 0.17 -0.04 1.79 1.38 2r9sB1 LYS 94 HG2 -0.58 0.18 -0.05 -0.04 1.46 0.97 2r9sB1 LYS 94 HG3 -1.47 -0.01 0.07 -0.04 1.46 0.01 2r9sB1 LYS 94 HD2 -0.45 -0.00 0.04 -0.04 1.69 1.23 2r9sB1 LYS 94 HD3 -0.19 -0.08 -0.03 -0.04 1.68 1.33 2r9sB1 LYS 94 HE2 -0.19 -0.03 0.04 -0.04 2.99 2.78 2r9sB1 LYS 94 HE3 -0.26 -0.04 0.07 -0.04 2.99 2.72 2r9sB1 LEU 95 H -0.44 0.60 0.34 -0.55 8.37 8.33 2r9sB1 LEU 95 HA -0.19 0.13 0.46 -0.75 4.35 4.01 2r9sB1 LEU 95 HB2 -0.28 -0.11 0.15 -0.04 1.64 1.37 2r9sB1 LEU 95 HB3 -0.21 0.00 0.03 -0.04 1.64 1.42 2r9sB1 LEU 95 HG -0.20 0.04 -0.02 -0.04 1.64 1.43 2r9sB1 LEU 95 HD13 -0.12 -0.00 0.00 -0.04 0.93 0.77 2r9sB1 LEU 95 HD23 -0.12 0.01 -0.12 -0.04 0.89 0.61 2r9sB1 SER 96 H -0.15 0.25 0.09 -0.55 8.46 8.11 2r9sB1 SER 96 HA -0.10 0.03 0.44 -0.75 4.49 4.11 2r9sB1 SER 96 HB2 -0.07 0.00 0.00 -0.04 3.95 3.84 2r9sB1 SER 96 HB3 -0.10 0.04 0.08 -0.04 3.93 3.91 2r9sB1 ARG 97 H -0.14 0.25 0.21 -0.55 8.46 8.23 2r9sB1 ARG 97 HA -0.17 0.07 0.37 -0.75 4.34 3.85 2r9sB1 ARG 97 HB2 -0.01 0.05 -0.22 -0.04 1.90 1.69 2r9sB1 ARG 97 HB3 -0.12 -0.07 0.10 -0.04 1.80 1.66 2r9sB1 ARG 97 HG2 -0.08 0.03 0.04 -0.04 1.67 1.61 2r9sB1 ARG 97 HG3 -0.07 0.02 0.07 -0.04 1.67 1.65 2r9sB1 ARG 97 HD2 -0.01 0.00 -0.07 -0.04 3.22 3.09 2r9sB1 ARG 97 HD3 -0.07 -0.01 -0.01 -0.04 3.22 3.09 2r9sB1 PRO 98 HA -0.23 0.16 0.20 -0.51 4.44 4.06 2r9sB1 PRO 98 HB2 -1.02 0.03 -0.07 -0.04 2.28 1.18 2r9sB1 PRO 98 HB3 -0.40 0.02 0.01 -0.04 2.02 1.61 2r9sB1 PRO 98 HG2 -1.23 0.20 0.07 -0.04 2.03 1.02 2r9sB1 PRO 98 HG3 -0.52 -0.06 0.05 -0.04 2.03 1.46 2r9sB1 PRO 98 HD2 -0.43 0.14 0.18 -0.04 3.68 3.53 2r9sB1 PRO 98 HD3 -0.34 0.18 -0.15 -0.04 3.65 3.30 2r9sB1 PHE 99 H -0.45 0.15 -0.34 -0.55 8.34 7.14 2r9sB1 PHE 99 HA -0.06 0.18 0.80 -0.75 4.62 4.78 2r9sB1 PHE 99 HB2 -0.10 0.04 0.04 -0.04 3.15 3.09 2r9sB1 PHE 99 HB3 -0.03 -0.06 0.10 -0.04 3.06 3.04 2r9sB1 PHE 99 HD2 -0.12 0.03 -0.11 -0.04 7.28 7.03 2r9sB1 PHE 99 HE2 -0.51 0.03 -0.24 -0.04 7.38 6.62 2r9sB1 PHE 99 HZ -0.13 0.03 -0.14 -0.04 7.32 7.03 2r9sB1 GLN 100 H -0.12 0.52 -0.27 -0.55 8.47 8.06 2r9sB1 GLN 100 HA -0.10 0.07 0.49 -0.75 4.36 4.06 2r9sB1 GLN 100 HB2 -0.29 0.01 0.11 -0.04 2.15 1.94 2r9sB1 GLN 100 HB3 -0.78 0.04 0.11 -0.04 2.02 1.34 2r9sB1 GLN 100 HG2 -0.31 -0.07 -0.23 -0.04 2.40 1.75 2r9sB1 GLN 100 HG3 -0.19 -0.00 0.07 -0.04 2.39 2.23 2r9sB1 GLN 100 HE21 -0.12 0.02 -0.02 -0.04 6.97 6.81 2r9sB1 GLN 100 HE22 -0.16 -0.04 -0.03 -0.04 7.69 7.43 2r9sB1 ASN 101 H -0.06 0.21 -0.09 -0.55 8.53 8.04 2r9sB1 ASN 101 HA 0.01 0.16 0.33 -0.75 4.76 4.51 2r9sB1 ASN 101 HB2 -0.00 -0.14 0.24 -0.04 2.88 2.93 2r9sB1 ASN 101 HB3 -0.05 0.27 0.14 -0.04 2.79 3.11 2r9sB1 ASN 101 HD21 -0.12 0.05 -0.07 -0.04 7.03 6.86 2r9sB1 ASN 101 HD22 -0.11 0.12 -0.10 -0.04 7.74 7.62 2r9sB1 GLN 102 H 0.05 0.22 0.17 -0.55 8.47 8.36 2r9sB1 GLN 102 HA 0.06 0.11 0.53 -0.75 4.36 4.32 2r9sB1 GLN 102 HB2 0.09 -0.00 0.20 -0.04 2.15 2.40 2r9sB1 GLN 102 HB3 0.06 0.03 0.06 -0.04 2.02 2.13 2r9sB1 GLN 102 HG2 0.13 0.03 0.06 -0.04 2.40 2.58 2r9sB1 GLN 102 HG3 0.18 0.06 0.01 -0.04 2.39 2.59 2r9sB1 GLN 102 HE21 0.40 0.19 0.07 -0.04 6.97 7.59 2r9sB1 GLN 102 HE22 0.20 -0.13 0.11 -0.04 7.69 7.82 2r9sB1 THR 103 H 0.03 0.07 -0.14 -0.55 8.28 7.69 2r9sB1 THR 103 HA -0.03 0.15 0.32 -0.75 4.39 4.07 2r9sB1 THR 103 HB 0.10 -0.04 0.09 -0.04 4.32 4.42 2r9sB1 THR 103 HG23 -0.01 0.03 -0.07 -0.04 1.22 1.14 2r9sB1 HIS 104 H 0.13 -0.04 -0.20 -0.55 8.41 7.76 2r9sB1 HIS 104 HA -0.13 0.10 0.44 -0.75 4.63 4.29 2r9sB1 HIS 104 HB2 -0.10 -0.27 0.11 -0.04 3.26 2.96 2r9sB1 HIS 104 HB3 -0.16 0.21 0.05 -0.04 3.20 3.27 2r9sB1 HIS 104 HD2 -0.06 -0.16 -0.05 -0.04 6.97 6.65 2r9sB1 HIS 104 HE1 -0.07 -0.03 -0.06 -0.04 7.75 7.55 2r9sB1 ALA 105 H -0.14 0.26 -0.18 -0.55 8.40 7.80 2r9sB1 ALA 105 HA -0.19 0.20 0.47 -0.75 4.34 4.06 2r9sB1 ALA 105 HB3 -0.45 -0.03 0.12 -0.04 1.41 1.01 2r9sB1 LYS 106 H -0.62 0.53 -0.02 -0.55 8.42 7.76 2r9sB1 LYS 106 HA -1.14 0.04 0.48 -0.75 4.32 2.95 2r9sB1 LYS 106 HB2 -0.18 0.03 0.17 -0.04 1.87 1.85 2r9sB1 LYS 106 HB3 -0.09 0.01 -0.04 -0.04 1.79 1.63 2r9sB1 LYS 106 HG2 0.19 0.03 0.07 -0.04 1.46 1.71 2r9sB1 LYS 106 HG3 -0.04 0.01 0.12 -0.04 1.46 1.51 2r9sB1 LYS 106 HD2 0.08 -0.10 0.01 -0.04 1.69 1.64 2r9sB1 LYS 106 HD3 0.08 0.03 0.02 -0.04 1.68 1.77 2r9sB1 LYS 106 HE2 0.32 -0.17 0.04 -0.04 2.99 3.14 2r9sB1 LYS 106 HE3 0.15 0.01 -0.03 -0.04 2.99 3.08 2r9sB1 ARG 107 H -0.21 0.40 -0.16 -0.55 8.46 7.94 2r9sB1 ARG 107 HA -0.09 0.01 0.45 -0.75 4.34 3.95 2r9sB1 ARG 107 HB2 -0.15 0.24 0.25 -0.04 1.90 2.20 2r9sB1 ARG 107 HB3 -0.18 0.09 0.16 -0.04 1.80 1.83 2r9sB1 ARG 107 HG2 -0.12 -0.00 -0.03 -0.04 1.67 1.48 2r9sB1 ARG 107 HG3 -0.09 -0.01 0.08 -0.04 1.67 1.61 2r9sB1 ARG 107 HD2 -0.25 -0.01 0.00 -0.04 3.22 2.92 2r9sB1 ARG 107 HD3 -0.17 -0.00 -0.00 -0.04 3.22 3.01 2r9sB1 ALA 108 H -0.17 0.70 -0.00 -0.55 8.40 8.37 2r9sB1 ALA 108 HA -0.10 0.00 0.43 -0.75 4.34 3.92 2r9sB1 ALA 108 HB3 -0.13 0.01 0.11 -0.04 1.41 1.36 2r9sB1 TYR 109 H -0.03 0.58 -0.14 -0.55 8.29 8.14 2r9sB1 TYR 109 HA 0.04 0.01 0.46 -0.75 4.56 4.31 2r9sB1 TYR 109 HB2 0.08 0.00 0.11 -0.04 3.06 3.21 2r9sB1 TYR 109 HB3 -0.07 0.10 0.19 -0.04 2.98 3.16 2r9sB1 TYR 109 HD2 0.24 0.05 -0.15 -0.04 7.15 7.24 2r9sB1 TYR 109 HE2 0.13 0.05 -0.13 -0.04 6.85 6.86 2r9sB1 ARG 110 H 0.05 0.77 0.04 -0.55 8.46 8.77 2r9sB1 ARG 110 HA -0.08 -0.00 0.41 -0.75 4.34 3.91 2r9sB1 ARG 110 HB2 0.04 -0.01 0.07 -0.04 1.90 1.97 2r9sB1 ARG 110 HB3 -0.01 0.10 0.15 -0.04 1.80 2.00 2r9sB1 ARG 110 HG2 -0.05 0.02 -0.46 -0.04 1.67 1.14 2r9sB1 ARG 110 HG3 -0.07 -0.02 -0.17 -0.04 1.67 1.37 2r9sB1 ARG 110 HD2 0.01 -0.12 -0.14 -0.04 3.22 2.92 2r9sB1 ARG 110 HD3 -0.01 0.02 -0.20 -0.04 3.22 2.99 2r9sB1 GLU 111 H -0.07 0.62 -0.14 -0.55 8.60 8.47 2r9sB1 GLU 111 HA -0.05 -0.02 0.40 -0.75 4.29 3.86 2r9sB1 GLU 111 HB2 0.00 -0.08 0.10 -0.04 2.09 2.07 2r9sB1 GLU 111 HB3 -0.05 0.14 0.16 -0.04 1.99 2.19 2r9sB1 GLU 111 HG2 -0.03 0.02 -0.24 -0.04 2.34 2.05 2r9sB1 GLU 111 HG3 0.07 -0.01 -0.02 -0.04 2.34 2.34 2r9sB1 LEU 112 H -0.12 0.59 -0.12 -0.55 8.37 8.18 2r9sB1 LEU 112 HA -0.08 0.02 0.48 -0.75 4.35 4.01 2r9sB1 LEU 112 HB2 -0.05 -0.07 0.06 -0.04 1.64 1.54 2r9sB1 LEU 112 HB3 -0.11 0.10 0.17 -0.04 1.64 1.76 2r9sB1 LEU 112 HG -0.09 0.04 -0.24 -0.04 1.64 1.30 2r9sB1 LEU 112 HD13 -0.02 -0.00 -0.07 -0.04 0.93 0.80 2r9sB1 LEU 112 HD23 0.04 -0.03 -0.15 -0.04 0.89 0.71 2r9sB1 VAL 113 H -0.32 0.64 -0.04 -0.55 8.24 7.97 2r9sB1 VAL 113 HA -0.21 0.06 0.28 -0.75 4.13 3.50 2r9sB1 VAL 113 HB -0.37 0.05 0.11 -0.04 2.12 1.87 2r9sB1 VAL 113 HG13 -0.15 -0.02 -0.15 -0.04 0.97 0.61 2r9sB1 VAL 113 HG23 -0.88 0.02 0.00 -0.04 0.95 0.05 2r9sB1 LEU 114 H -0.36 0.61 -0.03 -0.55 8.37 8.04 2r9sB1 LEU 114 HA -0.32 0.01 0.41 -0.75 4.35 3.69 2r9sB1 LEU 114 HB2 -1.31 0.08 0.06 -0.04 1.64 0.43 2r9sB1 LEU 114 HB3 -1.54 -0.06 -0.04 -0.04 1.64 -0.04 2r9sB1 LEU 114 HG -0.31 0.03 0.09 -0.04 1.64 1.41 2r9sB1 LEU 114 HD13 -0.23 -0.03 -0.11 -0.04 0.93 0.53 2r9sB1 LEU 114 HD23 -0.15 -0.01 -0.06 -0.04 0.89 0.63 2r9sB1 MET 115 H -0.32 0.38 -0.37 -0.55 8.47 7.61 2r9sB1 MET 115 HA 0.11 0.10 0.62 -0.75 4.52 4.60 2r9sB1 MET 115 HB2 0.04 0.28 0.18 -0.04 2.15 2.61 2r9sB1 MET 115 HB3 0.01 -0.04 0.03 -0.04 2.03 1.99 2r9sB1 MET 115 HG2 0.12 -0.06 0.04 -0.04 2.63 2.68 2r9sB1 MET 115 HG3 0.37 0.02 0.02 -0.04 2.56 2.93 2r9sB1 MET 115 HE3 0.04 -0.04 -0.22 -0.04 2.10 1.85 2r9sB1 LYS 116 H -0.09 0.60 -0.01 -0.55 8.42 8.37 2r9sB1 LYS 116 HA -0.01 -0.00 0.59 -0.75 4.32 4.15 2r9sB1 LYS 116 HB2 -0.07 0.06 0.15 -0.04 1.87 1.97 2r9sB1 LYS 116 HB3 -0.03 -0.07 0.03 -0.04 1.79 1.69 2r9sB1 LYS 116 HG2 -0.02 -0.08 0.01 -0.04 1.46 1.34 2r9sB1 LYS 116 HG3 -0.05 0.14 0.08 -0.04 1.46 1.59 2r9sB1 LYS 116 HD2 -0.02 0.10 -0.04 -0.04 1.69 1.69 2r9sB1 LYS 116 HD3 -0.06 -0.11 -0.07 -0.04 1.68 1.41 2r9sB1 LYS 116 HE2 -0.03 -0.08 0.01 -0.04 2.99 2.85 2r9sB1 LYS 116 HE3 -0.02 -0.02 0.01 -0.04 2.99 2.92 2r9sB1 CYS 117 H -0.09 0.36 -0.29 -0.55 8.50 7.93 2r9sB1 CYS 117 HA -0.00 0.08 0.30 -0.75 4.58 4.20 2r9sB1 CYS 117 HB2 -0.08 0.05 0.04 -0.04 2.97 2.94 2r9sB1 CYS 117 HB3 -0.02 -0.10 0.03 -0.04 2.97 2.85 2r9sB1 VAL 118 H 0.02 0.51 -0.07 -0.55 8.24 8.15 2r9sB1 VAL 118 HA 0.15 0.05 0.83 -0.75 4.13 4.40 2r9sB1 VAL 118 HB 0.29 0.14 0.09 -0.04 2.12 2.61 2r9sB1 VAL 118 HG13 0.33 -0.05 -0.24 -0.04 0.97 0.98 2r9sB1 VAL 118 HG23 0.14 -0.03 -0.05 -0.04 0.95 0.96 2r9sB1 ASN 119 H 0.17 0.19 0.05 -0.55 8.53 8.39 2r9sB1 ASN 119 HA 0.06 0.21 0.74 -0.75 4.76 5.02 2r9sB1 ASN 119 HB2 0.05 0.10 -0.11 -0.04 2.88 2.88 2r9sB1 ASN 119 HB3 0.04 -0.08 0.14 -0.04 2.79 2.85 2r9sB1 ASN 119 HD21 0.00 -0.04 -0.03 -0.04 7.03 6.92 2r9sB1 ASN 119 HD22 0.01 -0.04 -0.01 -0.04 7.74 7.67 2r9sB1 HIS 120 H 0.04 0.47 0.05 -0.55 8.41 8.41 2r9sB1 HIS 120 HA -0.22 0.07 0.49 -0.75 4.63 4.22 2r9sB1 HIS 120 HB2 -0.79 0.10 -0.14 -0.04 3.26 2.40 2r9sB1 HIS 120 HB3 -0.17 -0.01 -0.07 -0.04 3.20 2.91 2r9sB1 HIS 120 HD2 -0.55 0.06 0.09 -0.04 6.97 6.52 2r9sB1 HIS 120 HE1 -0.12 0.16 0.05 -0.04 7.75 7.79 2r9sB1 LYS 121 H -0.77 0.14 0.15 -0.55 8.42 7.39 2r9sB1 LYS 121 HA -0.11 0.09 0.29 -0.75 4.32 3.84 2r9sB1 LYS 121 HB2 -0.11 0.04 0.08 -0.04 1.87 1.84 2r9sB1 LYS 121 HB3 -0.18 -0.01 0.12 -0.04 1.79 1.68 2r9sB1 LYS 121 HG2 -0.50 -0.03 0.12 -0.04 1.46 1.01 2r9sB1 LYS 121 HG3 -0.36 -0.00 0.10 -0.04 1.46 1.16 2r9sB1 LYS 121 HD2 -0.07 0.03 -0.00 -0.04 1.69 1.61 2r9sB1 LYS 121 HD3 -0.08 -0.02 0.03 -0.04 1.68 1.57 2r9sB1 LYS 121 HE2 0.03 -0.01 0.01 -0.04 2.99 2.97 2r9sB1 LYS 121 HE3 -0.09 -0.03 0.02 -0.04 2.99 2.85 2r9sB1 ASN 122 H 0.43 -0.01 -0.20 -0.55 8.53 8.19 2r9sB1 ASN 122 HA -0.02 0.39 0.94 -0.75 4.76 5.33 2r9sB1 ASN 122 HB2 0.05 0.00 0.19 -0.04 2.88 3.08 2r9sB1 ASN 122 HB3 -0.06 -0.01 0.23 -0.04 2.79 2.92 2r9sB1 ASN 122 HD21 -0.12 -0.12 0.03 -0.04 7.03 6.77 2r9sB1 ASN 122 HD22 -0.10 0.49 0.15 -0.04 7.74 8.24 2r9sB1 ILE 123 H 0.07 0.51 -0.35 -0.55 8.25 7.93 2r9sB1 ILE 123 HA -0.06 0.13 0.82 -0.75 4.18 4.31 2r9sB1 ILE 123 HB 0.09 -0.01 -0.03 -0.04 1.89 1.90 2r9sB1 ILE 123 HG12 0.03 -0.20 -0.30 -0.04 1.49 0.98 2r9sB1 ILE 123 HG13 0.11 -0.02 -0.14 -0.04 1.21 1.12 2r9sB1 ILE 123 HG23 -0.02 0.05 -0.07 -0.04 0.93 0.85 2r9sB1 ILE 123 HD13 -0.08 0.05 -0.09 -0.04 0.88 0.72 2r9sB1 ILE 124 H -0.05 0.47 0.08 -0.55 8.25 8.21 2r9sB1 ILE 124 HA -0.00 -0.06 0.42 -0.75 4.18 3.78 2r9sB1 ILE 124 HB -0.03 -0.01 -0.04 -0.04 1.89 1.78 2r9sB1 ILE 124 HG12 0.01 -0.02 -0.08 -0.04 1.49 1.35 2r9sB1 ILE 124 HG13 0.02 0.05 -0.12 -0.04 1.21 1.12 2r9sB1 ILE 124 HG23 0.01 0.03 -0.01 -0.04 0.93 0.91 2r9sB1 ILE 124 HD13 -0.01 0.03 -0.07 -0.04 0.88 0.79 2r9sB1 SER 125 H 0.02 0.04 0.19 -0.55 8.46 8.16 2r9sB1 SER 125 HA 0.05 0.26 0.78 -0.75 4.49 4.82 2r9sB1 SER 125 HB2 0.02 -0.18 0.15 -0.04 3.95 3.90 2r9sB1 SER 125 HB3 0.03 0.10 -0.10 -0.04 3.93 3.91 2r9sB1 LEU 126 H 0.05 0.39 0.18 -0.55 8.37 8.44 2r9sB1 LEU 126 HA 0.03 0.02 0.70 -0.75 4.35 4.35 2r9sB1 LEU 126 HB2 0.04 0.03 -0.02 -0.04 1.64 1.65 2r9sB1 LEU 126 HB3 0.03 0.11 0.06 -0.04 1.64 1.80 2r9sB1 LEU 126 HG 0.03 -0.06 -0.32 -0.04 1.64 1.25 2r9sB1 LEU 126 HD13 0.01 -0.00 -0.02 -0.04 0.93 0.88 2r9sB1 LEU 126 HD23 0.00 -0.00 -0.18 -0.04 0.89 0.67 2r9sB1 LEU 127 H 0.04 0.76 0.52 -0.55 8.37 9.14 2r9sB1 LEU 127 HA 0.04 0.16 0.88 -0.75 4.35 4.67 2r9sB1 LEU 127 HB2 0.07 -0.01 -0.08 -0.04 1.64 1.57 2r9sB1 LEU 127 HB3 0.07 -0.08 -0.07 -0.04 1.64 1.52 2r9sB1 LEU 127 HG 0.04 0.01 -0.23 -0.04 1.64 1.41 2r9sB1 LEU 127 HD13 0.05 -0.02 -0.24 -0.04 0.93 0.68 2r9sB1 LEU 127 HD23 0.03 0.01 -0.12 -0.04 0.89 0.78 2r9sB1 ASN 128 H 0.07 0.45 0.35 -0.55 8.53 8.85 2r9sB1 ASN 128 HA 0.10 0.15 0.65 -0.75 4.76 4.91 2r9sB1 ASN 128 HB2 0.18 0.02 -0.30 -0.04 2.88 2.74 2r9sB1 ASN 128 HB3 0.29 -0.09 -0.05 -0.04 2.79 2.90 2r9sB1 ASN 128 HD21 0.14 0.01 -0.03 -0.04 7.03 7.11 2r9sB1 ASN 128 HD22 0.32 -0.10 -0.08 -0.04 7.74 7.84 2r9sB1 VAL 129 H 0.14 0.29 0.22 -0.55 8.24 8.34 2r9sB1 VAL 129 HA 0.02 0.25 0.92 -0.75 4.13 4.57 2r9sB1 VAL 129 HB 0.04 0.16 0.10 -0.04 2.12 2.38 2r9sB1 VAL 129 HG13 0.01 -0.02 -0.05 -0.04 0.97 0.87 2r9sB1 VAL 129 HG23 0.01 -0.01 -0.10 -0.04 0.95 0.81 2r9sB1 PHE 130 H -0.20 0.50 0.35 -0.55 8.34 8.44 2r9sB1 PHE 130 HA 0.13 0.20 0.63 -0.75 4.62 4.83 2r9sB1 PHE 130 HB2 0.26 0.04 0.06 -0.04 3.15 3.47 2r9sB1 PHE 130 HB3 0.16 0.07 -0.14 -0.04 3.06 3.11 2r9sB1 PHE 130 HD2 0.24 0.02 -0.39 -0.04 7.28 7.11 2r9sB1 PHE 130 HE2 -0.26 0.13 -0.08 -0.04 7.38 7.14 2r9sB1 PHE 130 HZ -0.16 -0.01 -0.11 -0.04 7.32 6.99 2r9sB1 THR 131 H 0.39 0.35 0.19 -0.55 8.28 8.65 2r9sB1 THR 131 HA 0.33 0.18 0.73 -0.75 4.39 4.89 2r9sB1 THR 131 HB 0.44 0.11 0.16 -0.04 4.32 4.99 2r9sB1 THR 131 HG23 0.19 0.04 -0.01 -0.04 1.22 1.40 2r9sB1 PRO 132 HA -1.49 0.13 0.53 -0.51 4.44 3.10 2r9sB1 PRO 132 HB2 -0.17 -0.03 -0.09 -0.04 2.28 1.95 2r9sB1 PRO 132 HB3 -0.54 -0.01 -0.01 -0.04 2.02 1.42 2r9sB1 PRO 132 HG2 0.07 -0.04 0.06 -0.04 2.03 2.08 2r9sB1 PRO 132 HG3 -0.10 0.30 -0.00 -0.04 2.03 2.18 2r9sB1 PRO 132 HD2 0.20 0.02 0.23 -0.04 3.68 4.10 2r9sB1 PRO 132 HD3 0.36 0.17 0.08 -0.04 3.65 4.22 2r9sB1 GLN 133 H 0.12 0.02 -0.33 -0.55 8.47 7.73 2r9sB1 GLN 133 HA 0.01 0.10 0.35 -0.75 4.36 4.07 2r9sB1 GLN 133 HB2 0.28 -0.02 -0.03 -0.04 2.15 2.35 2r9sB1 GLN 133 HB3 0.12 -0.11 -0.26 -0.04 2.02 1.73 2r9sB1 GLN 133 HG2 0.08 0.57 -0.16 -0.04 2.40 2.85 2r9sB1 GLN 133 HG3 0.04 0.03 -0.10 -0.04 2.39 2.32 2r9sB1 GLN 133 HE21 0.05 0.00 0.08 -0.04 6.97 7.06 2r9sB1 GLN 133 HE22 0.02 0.08 -0.03 -0.04 7.69 7.71 2r9sB1 LYS 134 H 0.06 0.01 0.13 -0.55 8.42 8.06 2r9sB1 LYS 134 HA 0.12 0.32 0.48 -0.75 4.32 4.48 2r9sB1 LYS 134 HB2 0.05 -0.09 0.08 -0.04 1.87 1.87 2r9sB1 LYS 134 HB3 0.07 -0.01 0.06 -0.04 1.79 1.87 2r9sB1 LYS 134 HG2 0.04 0.04 -0.05 -0.04 1.46 1.45 2r9sB1 LYS 134 HG3 0.06 -0.02 0.00 -0.04 1.46 1.47 2r9sB1 LYS 134 HD2 0.10 -0.05 -0.00 -0.04 1.69 1.70 2r9sB1 LYS 134 HD3 0.11 0.10 -0.22 -0.04 1.68 1.64 2r9sB1 LYS 134 HE2 0.16 0.09 -0.08 -0.04 2.99 3.11 2r9sB1 LYS 134 HE3 0.14 -0.00 -0.01 -0.04 2.99 3.08 2r9sB1 THR 135 H 0.04 0.06 0.06 -0.55 8.28 7.89 2r9sB1 THR 135 HA 0.06 0.28 0.73 -0.75 4.39 4.71 2r9sB1 THR 135 HB -0.01 -0.04 0.16 -0.04 4.32 4.39 2r9sB1 THR 135 HG23 0.03 0.04 -0.19 -0.04 1.22 1.07 2r9sB1 LEU 136 H -0.16 0.20 0.14 -0.55 8.37 8.01 2r9sB1 LEU 136 HA -0.85 0.18 0.39 -0.75 4.35 3.32 2r9sB1 LEU 136 HB2 -0.27 0.08 0.08 -0.04 1.64 1.48 2r9sB1 LEU 136 HB3 -0.13 -0.05 0.12 -0.04 1.64 1.54 2r9sB1 LEU 136 HG -0.12 0.01 -0.23 -0.04 1.64 1.26 2r9sB1 LEU 136 HD13 -0.15 0.01 -0.09 -0.04 0.93 0.65 2r9sB1 LEU 136 HD23 -0.03 0.01 -0.02 -0.04 0.89 0.80 2r9sB1 GLU 137 H -0.08 0.04 -0.07 -0.55 8.60 7.94 2r9sB1 GLU 137 HA -0.05 0.12 0.36 -0.75 4.29 3.96 2r9sB1 GLU 137 HB2 -0.03 0.00 0.07 -0.04 2.09 2.09 2r9sB1 GLU 137 HB3 -0.03 -0.06 0.03 -0.04 1.99 1.89 2r9sB1 GLU 137 HG2 -0.01 -0.00 -0.06 -0.04 2.34 2.22 2r9sB1 GLU 137 HG3 -0.02 0.05 -0.34 -0.04 2.34 2.00 2r9sB1 GLU 138 H -0.03 -0.03 -0.47 -0.55 8.60 7.52 2r9sB1 GLU 138 HA 0.01 0.15 0.51 -0.75 4.29 4.21 2r9sB1 GLU 138 HB2 0.01 -0.01 -0.01 -0.04 2.09 2.04 2r9sB1 GLU 138 HB3 0.02 -0.11 0.04 -0.04 1.99 1.90 2r9sB1 GLU 138 HG2 0.03 0.02 -0.03 -0.04 2.34 2.33 2r9sB1 GLU 138 HG3 0.02 0.06 0.03 -0.04 2.34 2.40 2r9sB1 PHE 139 H 0.05 0.17 -0.33 -0.55 8.34 7.69 2r9sB1 PHE 139 HA 0.03 -0.14 0.35 -0.75 4.62 4.10 2r9sB1 PHE 139 HB2 -0.34 0.06 0.05 -0.04 3.15 2.88 2r9sB1 PHE 139 HB3 -0.22 0.18 0.14 -0.04 3.06 3.12 2r9sB1 PHE 139 HD2 0.06 -0.06 -0.04 -0.04 7.28 7.19 2r9sB1 PHE 139 HE2 0.35 0.12 -0.13 -0.04 7.38 7.68 2r9sB1 PHE 139 HZ 0.30 0.01 -0.27 -0.04 7.32 7.32 2r9sB1 GLN 140 H 0.02 -0.07 0.24 -0.55 8.47 8.11 2r9sB1 GLN 140 HA -0.11 0.16 0.64 -0.75 4.36 4.29 2r9sB1 GLN 140 HB2 -0.08 -0.06 0.03 -0.04 2.15 1.99 2r9sB1 GLN 140 HB3 -0.02 0.10 -0.04 -0.04 2.02 2.02 2r9sB1 GLN 140 HG2 0.00 0.12 0.08 -0.04 2.40 2.55 2r9sB1 GLN 140 HG3 -0.04 -0.05 0.09 -0.04 2.39 2.35 2r9sB1 GLN 140 HE21 -0.01 -0.01 -0.01 -0.04 6.97 6.90 2r9sB1 GLN 140 HE22 -0.01 -0.01 0.01 -0.04 7.69 7.63 2r9sB1 ASP 141 H -0.03 -0.02 0.23 -0.55 8.40 8.03 2r9sB1 ASP 141 HA -0.28 0.18 0.91 -0.75 4.63 4.68 2r9sB1 ASP 141 HB2 0.11 -0.04 0.18 -0.04 2.71 2.91 2r9sB1 ASP 141 HB3 -0.20 0.09 0.07 -0.04 2.70 2.63 2r9sB1 VAL 142 H -0.31 0.18 0.26 -0.55 8.24 7.82 2r9sB1 VAL 142 HA 0.07 0.26 0.89 -0.75 4.13 4.60 2r9sB1 VAL 142 HB -0.16 -0.09 0.13 -0.04 2.12 1.96 2r9sB1 VAL 142 HG13 -0.00 0.03 -0.10 -0.04 0.97 0.85 2r9sB1 VAL 142 HG23 0.14 0.01 -0.17 -0.04 0.95 0.89 2r9sB1 TYR 143 H -0.17 0.63 0.35 -0.55 8.29 8.55 2r9sB1 TYR 143 HA -0.35 0.34 1.17 -0.75 4.56 4.97 2r9sB1 TYR 143 HB2 -1.95 -0.02 0.06 -0.04 3.06 1.11 2r9sB1 TYR 143 HB3 -0.70 -0.01 -0.16 -0.04 2.98 2.07 2r9sB1 TYR 143 HD2 -0.34 0.04 -0.22 -0.04 7.15 6.59 2r9sB1 TYR 143 HE2 -0.62 -0.07 -0.03 -0.04 6.85 6.08 2r9sB1 LEU 144 H -0.14 0.78 0.34 -0.55 8.37 8.80 2r9sB1 LEU 144 HA -0.06 0.24 0.99 -0.75 4.35 4.77 2r9sB1 LEU 144 HB2 -0.04 -0.09 0.14 -0.04 1.64 1.60 2r9sB1 LEU 144 HB3 -0.02 0.08 0.00 -0.04 1.64 1.66 2r9sB1 LEU 144 HG -0.10 -0.04 -0.07 -0.04 1.64 1.39 2r9sB1 LEU 144 HD13 -0.03 0.01 -0.09 -0.04 0.93 0.77 2r9sB1 LEU 144 HD23 -0.05 0.02 -0.09 -0.04 0.89 0.73 2r9sB1 VAL 145 H 0.01 0.77 0.35 -0.55 8.24 8.82 2r9sB1 VAL 145 HA -0.04 0.33 1.08 -0.75 4.13 4.74 2r9sB1 VAL 145 HB 0.07 -0.13 0.18 -0.04 2.12 2.19 2r9sB1 VAL 145 HG13 -0.08 0.00 -0.15 -0.04 0.97 0.71 2r9sB1 VAL 145 HG23 -0.07 0.00 -0.20 -0.04 0.95 0.64 2r9sB1 MET 146 H 0.00 0.67 0.35 -0.55 8.47 8.94 2r9sB1 MET 146 HA 0.03 0.22 0.99 -0.75 4.52 5.00 2r9sB1 MET 146 HB2 0.01 -0.05 0.03 -0.04 2.15 2.11 2r9sB1 MET 146 HB3 0.02 0.06 0.07 -0.04 2.03 2.13 2r9sB1 MET 146 HG2 0.03 0.08 -0.22 -0.04 2.63 2.48 2r9sB1 MET 146 HG3 0.01 -0.14 -0.34 -0.04 2.56 2.05 2r9sB1 MET 146 HE3 0.01 -0.02 -0.16 -0.04 2.10 1.89 2r9sB1 GLU 147 H 0.02 0.43 0.24 -0.55 8.60 8.74 2r9sB1 GLU 147 HA 0.03 0.07 0.59 -0.75 4.29 4.23 2r9sB1 GLU 147 HB2 0.02 0.01 0.07 -0.04 2.09 2.15 2r9sB1 GLU 147 HB3 0.02 0.03 0.12 -0.04 1.99 2.12 2r9sB1 GLU 147 HG2 0.01 -0.04 0.08 -0.04 2.34 2.35 2r9sB1 GLU 147 HG3 0.01 0.00 -0.30 -0.04 2.34 2.01 2r9sB1 LEU 148 H 0.03 0.23 0.14 -0.55 8.37 8.23 2r9sB1 LEU 148 HA 0.02 0.12 0.64 -0.75 4.35 4.37 2r9sB1 LEU 148 HB2 0.04 -0.09 -0.39 -0.04 1.64 1.16 2r9sB1 LEU 148 HB3 0.04 -0.02 -0.02 -0.04 1.64 1.60 2r9sB1 LEU 148 HG 0.03 0.18 -0.24 -0.04 1.64 1.56 2r9sB1 LEU 148 HD13 0.02 -0.02 -0.07 -0.04 0.93 0.82 2r9sB1 LEU 148 HD23 0.05 -0.01 -0.07 -0.04 0.89 0.82 2r9sB1 MET 149 H 0.01 0.14 0.05 -0.55 8.47 8.11 2r9sB1 MET 149 HA 0.01 0.12 0.66 -0.75 4.52 4.54 2r9sB1 MET 149 HB2 -0.01 -0.00 -0.02 -0.04 2.15 2.08 2r9sB1 MET 149 HB3 -0.01 0.08 -0.10 -0.04 2.03 1.96 2r9sB1 MET 149 HG2 -0.01 0.03 -0.17 -0.04 2.63 2.44 2r9sB1 MET 149 HG3 -0.02 0.01 -0.24 -0.04 2.56 2.28 2r9sB1 MET 149 HE3 -0.02 -0.03 -0.32 -0.04 2.10 1.69 2r9sB1 ASP 150 H 0.00 0.45 0.30 -0.55 8.40 8.61 2r9sB1 ASP 150 HA 0.01 0.15 0.81 -0.75 4.63 4.84 2r9sB1 ASP 150 HB2 0.01 0.07 0.09 -0.04 2.71 2.84 2r9sB1 ASP 150 HB3 0.01 -0.01 0.09 -0.04 2.70 2.75 2r9sB1 ALA 151 H -0.00 0.38 0.24 -0.55 8.40 8.47 2r9sB1 ALA 151 HA -0.00 0.03 0.59 -0.75 4.34 4.21 2r9sB1 ALA 151 HB3 -0.00 0.03 -0.07 -0.04 1.41 1.34 2r9sB1 ASN 152 H -0.01 0.11 0.22 -0.55 8.53 8.31 2r9sB1 ASN 152 HA -0.03 0.29 1.14 -0.75 4.76 5.41 2r9sB1 ASN 152 HB2 -0.03 0.16 0.32 -0.04 2.88 3.29 2r9sB1 ASN 152 HB3 -0.02 -0.03 0.08 -0.04 2.79 2.78 2r9sB1 ASN 152 HD21 -0.00 -0.04 0.05 -0.04 7.03 7.00 2r9sB1 ASN 152 HD22 -0.01 0.05 0.11 -0.04 7.74 7.85 2r9sB1 LEU 153 H -0.05 0.64 0.30 -0.55 8.37 8.72 2r9sB1 LEU 153 HA -0.03 0.08 0.15 -0.75 4.35 3.80 2r9sB1 LEU 153 HB2 -0.07 0.23 0.32 -0.04 1.64 2.07 2r9sB1 LEU 153 HB3 -0.05 -0.06 0.15 -0.04 1.64 1.63 2r9sB1 LEU 153 HG -0.07 0.04 -0.13 -0.04 1.64 1.44 2r9sB1 LEU 153 HD13 -0.07 -0.01 -0.07 -0.04 0.93 0.74 2r9sB1 LEU 153 HD23 -0.04 0.01 -0.14 -0.04 0.89 0.67 2r9sB1 GLN 155 HA 0.00 -0.04 0.34 -0.75 4.36 3.91 2r9sB1 GLN 155 HB2 -0.00 0.06 0.07 -0.04 2.15 2.23 2r9sB1 GLN 155 HB3 0.00 0.01 0.07 -0.04 2.02 2.06 2r9sB1 GLN 155 HG2 0.00 0.01 0.09 -0.04 2.40 2.46 2r9sB1 GLN 155 HG3 0.00 -0.06 0.13 -0.04 2.39 2.42 2r9sB1 GLN 155 HE21 0.00 0.05 0.11 -0.04 6.97 7.10 2r9sB1 GLN 155 HE22 0.00 0.03 0.07 -0.04 7.69 7.75 2r9sB1 VAL 156 H -0.00 0.31 -0.60 -0.55 8.24 7.40 2r9sB1 VAL 156 HA 0.01 0.01 0.45 -0.75 4.13 3.85 2r9sB1 VAL 156 HB -0.00 0.04 -0.04 -0.04 2.12 2.07 2r9sB1 VAL 156 HG13 0.01 -0.00 -0.17 -0.04 0.97 0.77 2r9sB1 VAL 156 HG23 -0.00 0.02 -0.12 -0.04 0.95 0.80 2r9sB1 ILE 157 H 0.02 0.49 0.20 -0.55 8.25 8.41 2r9sB1 ILE 157 HA 0.05 0.09 0.57 -0.75 4.18 4.14 2r9sB1 ILE 157 HB 0.04 -0.07 -0.05 -0.04 1.89 1.76 2r9sB1 ILE 157 HG12 0.00 0.00 -0.04 -0.04 1.49 1.41 2r9sB1 ILE 157 HG13 0.00 0.07 0.05 -0.04 1.21 1.29 2r9sB1 ILE 157 HG23 0.05 -0.02 -0.23 -0.04 0.93 0.69 2r9sB1 ILE 157 HD13 0.01 -0.06 -0.05 -0.04 0.88 0.75 2r9sB1 GLN 158 H 0.03 0.07 -0.34 -0.55 8.47 7.68 2r9sB1 GLN 158 HA 0.01 -0.01 0.35 -0.75 4.36 3.97 2r9sB1 GLN 158 HB2 -0.00 0.30 0.15 -0.04 2.15 2.56 2r9sB1 GLN 158 HB3 -0.02 -0.09 -0.03 -0.04 2.02 1.84 2r9sB1 GLN 158 HG2 0.01 -0.00 0.07 -0.04 2.40 2.43 2r9sB1 GLN 158 HG3 -0.00 -0.08 0.03 -0.04 2.39 2.30 2r9sB1 GLN 158 HE21 0.02 -0.03 -0.07 -0.04 6.97 6.85 2r9sB1 GLN 158 HE22 0.01 -0.03 -0.04 -0.04 7.69 7.59 2r9sB1 MET 159 H 0.01 0.15 -0.30 -0.55 8.47 7.78 2r9sB1 MET 159 HA -0.04 -0.07 0.33 -0.75 4.52 3.99 2r9sB1 MET 159 HB2 -0.00 -0.10 0.12 -0.04 2.15 2.13 2r9sB1 MET 159 HB3 -0.00 -0.09 0.08 -0.04 2.03 1.98 2r9sB1 MET 159 HG2 0.02 0.35 0.17 -0.04 2.63 3.13 2r9sB1 MET 159 HG3 0.02 0.07 0.01 -0.04 2.56 2.63 2r9sB1 MET 159 HE3 0.01 -0.02 -0.00 -0.04 2.10 2.05 2r9sB1 GLU 160 H -0.03 -0.08 0.16 -0.55 8.60 8.10 2r9sB1 GLU 160 HA -0.02 0.19 0.41 -0.75 4.29 4.11 2r9sB1 GLU 160 HB2 -0.04 -0.06 0.16 -0.04 2.09 2.12 2r9sB1 GLU 160 HB3 0.00 -0.07 0.02 -0.04 1.99 1.91 2r9sB1 GLU 160 HG2 0.06 0.01 0.22 -0.04 2.34 2.59 2r9sB1 GLU 160 HG3 -0.02 0.00 0.09 -0.04 2.34 2.37 2r9sB1 LEU 161 H 0.07 0.16 0.20 -0.55 8.37 8.24 2r9sB1 LEU 161 HA 0.04 0.34 1.43 -0.75 4.35 5.41 2r9sB1 LEU 161 HB2 -0.00 0.21 0.04 -0.04 1.64 1.84 2r9sB1 LEU 161 HB3 -0.07 -0.12 -0.07 -0.04 1.64 1.34 2r9sB1 LEU 161 HG -0.04 0.00 -0.09 -0.04 1.64 1.48 2r9sB1 LEU 161 HD13 0.04 -0.03 0.07 -0.04 0.93 0.96 2r9sB1 LEU 161 HD23 0.07 0.12 -0.07 -0.04 0.89 0.97 2r9sB1 ASP 162 H 0.01 0.33 0.18 -0.55 8.40 8.38 2r9sB1 ASP 162 HA 0.03 0.10 0.65 -0.75 4.63 4.65 2r9sB1 ASP 162 HB2 0.04 0.16 -0.16 -0.04 2.71 2.71 2r9sB1 ASP 162 HB3 0.06 0.00 0.14 -0.04 2.70 2.87 2r9sB1 HIS 163 H 0.14 0.20 0.19 -0.55 8.41 8.40 2r9sB1 HIS 163 HA 0.23 0.14 0.41 -0.75 4.63 4.66 2r9sB1 HIS 163 HB2 0.12 -0.04 0.12 -0.04 3.26 3.42 2r9sB1 HIS 163 HB3 0.07 0.06 0.03 -0.04 3.20 3.32 2r9sB1 HIS 163 HD2 0.11 -0.05 0.07 -0.04 6.97 7.05 2r9sB1 HIS 163 HE1 0.39 0.08 -0.17 -0.04 7.75 8.01 2r9sB1 GLU 164 H 0.20 0.02 -0.15 -0.55 8.60 8.12 2r9sB1 GLU 164 HA 0.28 0.16 0.48 -0.75 4.29 4.46 2r9sB1 GLU 164 HB2 0.15 0.01 0.05 -0.04 2.09 2.26 2r9sB1 GLU 164 HB3 0.15 -0.06 0.08 -0.04 1.99 2.13 2r9sB1 GLU 164 HG2 0.21 0.04 -0.19 -0.04 2.34 2.35 2r9sB1 GLU 164 HG3 0.49 0.04 -0.02 -0.04 2.34 2.81 2r9sB1 ARG 165 H 0.15 0.00 -0.14 -0.55 8.46 7.92 2r9sB1 ARG 165 HA 0.15 0.13 0.58 -0.75 4.34 4.44 2r9sB1 ARG 165 HB2 0.08 0.02 0.06 -0.04 1.90 2.02 2r9sB1 ARG 165 HB3 0.09 -0.05 0.12 -0.04 1.80 1.92 2r9sB1 ARG 165 HG2 0.07 0.04 -0.37 -0.04 1.67 1.37 2r9sB1 ARG 165 HG3 0.07 0.02 -0.08 -0.04 1.67 1.64 2r9sB1 ARG 165 HD2 0.05 0.01 0.01 -0.04 3.22 3.25 2r9sB1 ARG 165 HD3 0.04 0.08 -0.06 -0.04 3.22 3.24 2r9sB1 MET 166 H 0.14 0.61 -0.01 -0.55 8.47 8.65 2r9sB1 MET 166 HA 0.10 0.06 0.38 -0.75 4.52 4.31 2r9sB1 MET 166 HB2 0.10 0.04 0.08 -0.04 2.15 2.34 2r9sB1 MET 166 HB3 0.30 -0.01 0.10 -0.04 2.03 2.37 2r9sB1 MET 166 HG2 0.27 -0.03 -0.17 -0.04 2.63 2.66 2r9sB1 MET 166 HG3 0.10 -0.04 0.02 -0.04 2.56 2.60 2r9sB1 MET 166 HE3 0.08 -0.01 -0.08 -0.04 2.10 2.05 2r9sB1 SER 167 H 0.20 0.50 -0.13 -0.55 8.46 8.48 2r9sB1 SER 167 HA 0.26 -0.04 0.28 -0.75 4.49 4.24 2r9sB1 SER 167 HB2 0.18 0.08 0.15 -0.04 3.95 4.32 2r9sB1 SER 167 HB3 -0.58 -0.01 0.18 -0.04 3.93 3.48 2r9sB1 TYR 168 H 0.24 0.42 -0.34 -0.55 8.29 8.06 2r9sB1 TYR 168 HA -1.18 -0.01 0.48 -0.75 4.56 3.10 2r9sB1 TYR 168 HB2 -0.69 0.09 0.15 -0.04 3.06 2.56 2r9sB1 TYR 168 HB3 -0.28 0.10 0.15 -0.04 2.98 2.91 2r9sB1 TYR 168 HD2 -1.24 0.00 -0.02 -0.04 7.15 5.85 2r9sB1 TYR 168 HE2 -0.26 0.09 0.05 -0.04 6.85 6.68 2r9sB1 LEU 169 H -0.00 0.56 -0.11 -0.55 8.37 8.27 2r9sB1 LEU 169 HA -0.25 0.02 0.36 -0.75 4.35 3.72 2r9sB1 LEU 169 HB2 -0.01 0.07 0.11 -0.04 1.64 1.78 2r9sB1 LEU 169 HB3 -0.06 -0.07 -0.06 -0.04 1.64 1.41 2r9sB1 LEU 169 HG -0.01 0.07 -0.05 -0.04 1.64 1.61 2r9sB1 LEU 169 HD13 0.01 -0.02 -0.16 -0.04 0.93 0.72 2r9sB1 LEU 169 HD23 -0.09 -0.01 -0.16 -0.04 0.89 0.59 2r9sB1 LEU 170 H 0.04 0.67 0.00 -0.55 8.37 8.54 2r9sB1 LEU 170 HA -0.01 -0.01 0.50 -0.75 4.35 4.07 2r9sB1 LEU 170 HB2 0.17 0.09 0.04 -0.04 1.64 1.90 2r9sB1 LEU 170 HB3 0.08 -0.07 -0.03 -0.04 1.64 1.58 2r9sB1 LEU 170 HG 0.07 0.10 0.02 -0.04 1.64 1.79 2r9sB1 LEU 170 HD13 0.16 -0.02 -0.12 -0.04 0.93 0.91 2r9sB1 LEU 170 HD23 -0.00 -0.02 -0.06 -0.04 0.89 0.77 2r9sB1 TYR 171 H 0.14 0.70 -0.14 -0.55 8.29 8.45 2r9sB1 TYR 171 HA 0.04 -0.05 0.47 -0.75 4.56 4.27 2r9sB1 TYR 171 HB2 0.15 0.05 0.15 -0.04 3.06 3.37 2r9sB1 TYR 171 HB3 -0.27 0.13 0.21 -0.04 2.98 3.01 2r9sB1 TYR 171 HD2 -0.05 0.03 -0.04 -0.04 7.15 7.05 2r9sB1 TYR 171 HE2 0.15 -0.04 -0.10 -0.04 6.85 6.82 2r9sB1 GLN 172 H -0.19 0.59 -0.08 -0.55 8.47 8.24 2r9sB1 GLN 172 HA -0.36 -0.01 0.45 -0.75 4.36 3.68 2r9sB1 GLN 172 HB2 -0.30 0.10 0.16 -0.04 2.15 2.07 2r9sB1 GLN 172 HB3 -0.23 0.00 0.07 -0.04 2.02 1.82 2r9sB1 GLN 172 HG2 -0.28 -0.08 0.07 -0.04 2.40 2.08 2r9sB1 GLN 172 HG3 -0.57 0.18 0.15 -0.04 2.39 2.10 2r9sB1 GLN 172 HE21 -0.66 -0.01 -0.12 -0.04 6.97 6.15 2r9sB1 GLN 172 HE22 -1.10 0.21 -0.30 -0.04 7.69 6.45 2r9sB1 MET 173 H -0.14 0.43 -0.35 -0.55 8.47 7.86 2r9sB1 MET 173 HA -0.13 -0.00 0.39 -0.75 4.52 4.03 2r9sB1 MET 173 HB2 -0.08 0.22 0.21 -0.04 2.15 2.45 2r9sB1 MET 173 HB3 -0.08 -0.07 -0.06 -0.04 2.03 1.78 2r9sB1 MET 173 HG2 -0.11 -0.10 -0.03 -0.04 2.63 2.35 2r9sB1 MET 173 HG3 -0.11 0.02 -0.05 -0.04 2.56 2.39 2r9sB1 MET 173 HE3 -0.06 0.02 -0.27 -0.04 2.10 1.75 2r9sB1 LEU 174 H -0.10 0.66 -0.08 -0.55 8.37 8.30 2r9sB1 LEU 174 HA -0.09 -0.09 0.40 -0.75 4.35 3.81 2r9sB1 LEU 174 HB2 -0.05 0.22 0.16 -0.04 1.64 1.93 2r9sB1 LEU 174 HB3 -0.03 -0.13 0.10 -0.04 1.64 1.54 2r9sB1 LEU 174 HG -0.01 0.12 0.02 -0.04 1.64 1.72 2r9sB1 LEU 174 HD13 0.07 -0.02 -0.20 -0.04 0.93 0.74 2r9sB1 LEU 174 HD23 -0.00 -0.04 -0.02 -0.04 0.89 0.79 2r9sB1 GLY 176 HA2 -0.33 -0.15 0.26 -0.51 4.01 3.28 2r9sB1 GLY 176 HA3 -0.15 0.13 0.22 -0.51 4.01 3.70 2r9sB1 ILE 177 H -0.16 0.74 -0.29 -0.55 8.25 7.99 2r9sB1 ILE 177 HA -0.20 -0.03 0.41 -0.75 4.18 3.61 2r9sB1 ILE 177 HB -0.18 0.13 0.18 -0.04 1.89 1.98 2r9sB1 ILE 177 HG12 -0.08 -0.17 0.04 -0.04 1.49 1.23 2r9sB1 ILE 177 HG13 -0.13 0.07 0.06 -0.04 1.21 1.17 2r9sB1 ILE 177 HG23 -0.36 -0.05 -0.07 -0.04 0.93 0.41 2r9sB1 ILE 177 HD13 -0.08 0.01 -0.18 -0.04 0.88 0.60 2r9sB1 LYS 178 H -0.20 0.76 0.19 -0.55 8.42 8.62 2r9sB1 LYS 178 HA -0.16 -0.09 0.48 -0.75 4.32 3.78 2r9sB1 LYS 178 HB2 -0.07 0.05 0.11 -0.04 1.87 1.92 2r9sB1 LYS 178 HB3 -0.08 0.08 0.00 -0.04 1.79 1.75 2r9sB1 LYS 178 HG2 0.01 0.02 -0.23 -0.04 1.46 1.22 2r9sB1 LYS 178 HG3 0.01 -0.11 0.03 -0.04 1.46 1.35 2r9sB1 LYS 178 HD2 0.02 -0.05 -0.07 -0.04 1.69 1.55 2r9sB1 LYS 178 HD3 0.02 0.07 -0.07 -0.04 1.68 1.66 2r9sB1 LYS 178 HE2 0.05 0.01 -0.04 -0.04 2.99 2.96 2r9sB1 LYS 178 HE3 0.05 0.03 -0.05 -0.04 2.99 2.98 2r9sB1 HIS 179 H -0.14 0.29 -0.26 -0.55 8.41 7.75 2r9sB1 HIS 179 HA -0.07 0.01 0.50 -0.75 4.63 4.31 2r9sB1 HIS 179 HB2 -0.57 -0.04 0.09 -0.04 3.26 2.71 2r9sB1 HIS 179 HB3 -0.44 0.17 0.10 -0.04 3.20 2.99 2r9sB1 HIS 179 HD2 0.10 -0.05 0.11 -0.04 6.97 7.08 2r9sB1 HIS 179 HE1 0.09 -0.02 -0.20 -0.04 7.75 7.57 2r9sB1 LEU 180 H -0.06 0.52 0.01 -0.55 8.37 8.29 2r9sB1 LEU 180 HA 0.04 0.03 0.54 -0.75 4.35 4.20 2r9sB1 LEU 180 HB2 0.01 0.09 0.23 -0.04 1.64 1.93 2r9sB1 LEU 180 HB3 0.15 0.02 0.03 -0.04 1.64 1.80 2r9sB1 LEU 180 HG 0.01 0.13 -0.00 -0.04 1.64 1.74 2r9sB1 LEU 180 HD13 0.05 -0.02 -0.07 -0.04 0.93 0.85 2r9sB1 LEU 180 HD23 0.22 -0.00 -0.06 -0.04 0.89 1.00 2r9sB1 HIS 181 H -0.05 0.59 -0.03 -0.55 8.41 8.37 2r9sB1 HIS 181 HA 0.02 0.07 0.37 -0.75 4.63 4.33 2r9sB1 HIS 181 HB2 0.01 0.07 0.13 -0.04 3.26 3.43 2r9sB1 HIS 181 HB3 0.02 -0.12 0.05 -0.04 3.20 3.11 2r9sB1 HIS 181 HD2 0.05 0.51 0.13 -0.04 6.97 7.63 2r9sB1 HIS 181 HE1 0.06 0.03 0.06 -0.04 7.75 7.85 2r9sB1 SER 182 H -0.00 0.48 -0.16 -0.55 8.46 8.24 2r9sB1 SER 182 HA 0.02 -0.02 0.61 -0.75 4.49 4.34 2r9sB1 SER 182 HB2 -0.12 0.11 0.20 -0.04 3.95 4.10 2r9sB1 SER 182 HB3 -0.02 -0.06 0.08 -0.04 3.93 3.89 2r9sB1 ALA 183 H -0.14 0.56 -0.04 -0.55 8.40 8.23 2r9sB1 ALA 183 HA -0.05 0.05 0.71 -0.75 4.34 4.30 2r9sB1 ALA 183 HB3 -0.07 0.01 0.15 -0.04 1.41 1.45 2r9sB1 GLY 184 H 0.03 0.25 -0.59 -0.55 8.43 7.57 2r9sB1 GLY 184 HA2 0.03 -0.05 0.25 -0.51 4.01 3.73 2r9sB1 GLY 184 HA3 0.02 0.08 0.71 -0.51 4.01 4.32 2r9sB1 ILE 185 H 0.09 0.76 0.01 -0.55 8.25 8.56 2r9sB1 ILE 185 HA 0.09 0.16 0.83 -0.75 4.18 4.50 2r9sB1 ILE 185 HB 0.13 -0.00 0.08 -0.04 1.89 2.06 2r9sB1 ILE 185 HG12 0.06 0.00 -0.11 -0.04 1.49 1.41 2r9sB1 ILE 185 HG13 0.05 0.03 -0.51 -0.04 1.21 0.75 2r9sB1 ILE 185 HG23 0.18 -0.02 -0.20 -0.04 0.93 0.84 2r9sB1 ILE 185 HD13 0.08 -0.00 -0.07 -0.04 0.88 0.84 2r9sB1 ILE 186 H 0.10 0.29 0.10 -0.55 8.25 8.20 2r9sB1 ILE 186 HA 0.17 0.10 0.85 -0.75 4.18 4.54 2r9sB1 ILE 186 HB 0.19 0.08 0.02 -0.04 1.89 2.14 2r9sB1 ILE 186 HG12 -0.34 -0.06 -0.07 -0.04 1.49 0.99 2r9sB1 ILE 186 HG13 -0.02 0.06 -0.40 -0.04 1.21 0.80 2r9sB1 ILE 186 HG23 0.05 -0.03 -0.11 -0.04 0.93 0.80 2r9sB1 ILE 186 HD13 0.08 -0.02 -0.11 -0.04 0.88 0.79 2r9sB1 HIS 187 H 0.26 0.04 0.06 -0.55 8.41 8.23 2r9sB1 HIS 187 HA 0.05 0.40 0.33 -0.75 4.63 4.65 2r9sB1 HIS 187 HB2 0.05 0.11 0.04 -0.04 3.26 3.43 2r9sB1 HIS 187 HB3 0.04 -0.20 0.13 -0.04 3.20 3.12 2r9sB1 HIS 187 HD2 -0.10 0.11 -0.05 -0.04 6.97 6.89 2r9sB1 HIS 187 HE1 -0.04 0.10 -0.30 -0.04 7.75 7.46 2r9sB1 ARG 188 H 0.15 0.04 0.04 -0.55 8.46 8.13 2r9sB1 ARG 188 HA 0.03 -0.03 0.26 -0.75 4.34 3.85 2r9sB1 ARG 188 HB2 -0.08 0.24 0.13 -0.04 1.90 2.16 2r9sB1 ARG 188 HB3 -0.10 -0.02 -0.03 -0.04 1.80 1.61 2r9sB1 ARG 188 HG2 -0.39 -0.09 -0.08 -0.04 1.67 1.07 2r9sB1 ARG 188 HG3 -0.29 -0.04 -0.48 -0.04 1.67 0.81 2r9sB1 ARG 188 HD2 -0.41 -0.01 -0.07 -0.04 3.22 2.69 2r9sB1 ARG 188 HD3 -1.71 -0.03 -0.10 -0.04 3.22 1.33 2r9sB1 ASP 189 H 0.53 0.07 -0.57 -0.55 8.40 7.89 2r9sB1 ASP 189 HA 0.09 0.32 0.89 -0.75 4.63 5.17 2r9sB1 ASP 189 HB2 0.08 0.01 0.08 -0.04 2.71 2.84 2r9sB1 ASP 189 HB3 0.17 -0.06 0.06 -0.04 2.70 2.83 2r9sB1 LEU 190 H -0.08 0.04 -0.16 -0.55 8.37 7.62 2r9sB1 LEU 190 HA -0.37 0.06 0.52 -0.75 4.35 3.80 2r9sB1 LEU 190 HB2 -0.13 -0.03 0.07 -0.04 1.64 1.51 2r9sB1 LEU 190 HB3 -0.21 0.06 -0.13 -0.04 1.64 1.32 2r9sB1 LEU 190 HG -0.94 -0.15 -0.03 -0.04 1.64 0.48 2r9sB1 LEU 190 HD13 -0.13 -0.00 0.02 -0.04 0.93 0.78 2r9sB1 LEU 190 HD23 -0.43 0.04 -0.02 -0.04 0.89 0.43 2r9sB1 LYS 191 H -0.19 0.24 0.18 -0.55 8.42 8.09 2r9sB1 LYS 191 HA -0.61 0.20 0.44 -0.75 4.32 3.59 2r9sB1 LYS 191 HB2 -0.48 -0.01 0.07 -0.04 1.87 1.41 2r9sB1 LYS 191 HB3 -0.16 0.19 -0.22 -0.04 1.79 1.56 2r9sB1 LYS 191 HG2 -0.09 0.01 -0.02 -0.04 1.46 1.31 2r9sB1 LYS 191 HG3 -0.10 -0.22 -0.16 -0.04 1.46 0.94 2r9sB1 LYS 191 HD2 0.03 -0.02 -0.08 -0.04 1.69 1.58 2r9sB1 LYS 191 HD3 0.03 0.12 -0.18 -0.04 1.68 1.61 2r9sB1 LYS 191 HE2 -0.01 -0.03 -0.09 -0.04 2.99 2.82 2r9sB1 LYS 191 HE3 0.00 -0.04 -0.10 -0.04 2.99 2.81 2r9sB1 PRO 192 HA -0.14 0.11 0.34 -0.51 4.44 4.24 2r9sB1 PRO 192 HB2 -0.07 0.03 0.03 -0.04 2.28 2.22 2r9sB1 PRO 192 HB3 -0.07 0.08 0.09 -0.04 2.02 2.08 2r9sB1 PRO 192 HG2 -0.07 0.07 0.03 -0.04 2.03 2.02 2r9sB1 PRO 192 HG3 -0.18 0.12 0.05 -0.04 2.03 1.98 2r9sB1 PRO 192 HD2 -0.77 0.10 0.14 -0.04 3.68 3.10 2r9sB1 PRO 192 HD3 -1.22 0.20 0.15 -0.04 3.65 2.75 2r9sB1 SER 193 H -0.11 0.10 -0.33 -0.55 8.46 7.58 2r9sB1 SER 193 HA -0.04 0.11 0.44 -0.75 4.49 4.25 2r9sB1 SER 193 HB2 -0.01 -0.01 0.12 -0.04 3.95 4.00 2r9sB1 SER 193 HB3 -0.01 0.01 0.05 -0.04 3.93 3.94 2r9sB1 ASN 194 H -0.09 0.48 -0.21 -0.55 8.53 8.16 2r9sB1 ASN 194 HA -0.04 0.24 0.83 -0.75 4.76 5.03 2r9sB1 ASN 194 HB2 -0.02 -0.07 0.18 -0.04 2.88 2.93 2r9sB1 ASN 194 HB3 -0.02 0.02 -0.01 -0.04 2.79 2.74 2r9sB1 ASN 194 HD21 0.04 0.62 0.15 -0.04 7.03 7.81 2r9sB1 ASN 194 HD22 0.05 -0.05 -0.01 -0.04 7.74 7.69 2r9sB1 ILE 195 H -0.08 0.37 -0.11 -0.55 8.25 7.88 2r9sB1 ILE 195 HA -0.08 0.21 1.02 -0.75 4.18 4.57 2r9sB1 ILE 195 HB -0.10 -0.05 0.12 -0.04 1.89 1.82 2r9sB1 ILE 195 HG12 -0.13 0.06 0.00 -0.04 1.49 1.38 2r9sB1 ILE 195 HG13 -0.14 -0.10 -0.47 -0.04 1.21 0.46 2r9sB1 ILE 195 HG23 -0.09 0.02 -0.18 -0.04 0.93 0.64 2r9sB1 ILE 195 HD13 -0.15 -0.03 -0.19 -0.04 0.88 0.47 2r9sB1 VAL 196 H -0.06 0.86 0.33 -0.55 8.24 8.82 2r9sB1 VAL 196 HA -0.04 0.19 1.24 -0.75 4.13 4.77 2r9sB1 VAL 196 HB -0.02 -0.01 0.08 -0.04 2.12 2.13 2r9sB1 VAL 196 HG13 -0.02 -0.03 -0.21 -0.04 0.97 0.67 2r9sB1 VAL 196 HG23 -0.03 -0.00 -0.07 -0.04 0.95 0.81 2r9sB1 VAL 197 H -0.02 0.59 0.29 -0.55 8.24 8.54 2r9sB1 VAL 197 HA -0.04 0.34 1.01 -0.75 4.13 4.69 2r9sB1 VAL 197 HB -0.02 0.22 0.04 -0.04 2.12 2.33 2r9sB1 VAL 197 HG13 -0.05 -0.04 -0.30 -0.04 0.97 0.54 2r9sB1 VAL 197 HG23 -0.01 -0.05 -0.25 -0.04 0.95 0.60 2r9sB1 LYS 198 H -0.01 0.62 0.29 -0.55 8.42 8.77 2r9sB1 LYS 198 HA 0.00 -0.05 0.88 -0.75 4.32 4.40 2r9sB1 LYS 198 HB2 0.01 0.14 0.12 -0.04 1.87 2.10 2r9sB1 LYS 198 HB3 0.01 -0.16 0.15 -0.04 1.79 1.75 2r9sB1 LYS 198 HG2 0.00 -0.09 0.08 -0.04 1.46 1.42 2r9sB1 LYS 198 HG3 0.00 0.07 -0.03 -0.04 1.46 1.46 2r9sB1 LYS 198 HD2 0.01 -0.09 0.06 -0.04 1.69 1.63 2r9sB1 LYS 198 HD3 0.01 0.15 0.04 -0.04 1.68 1.84 2r9sB1 LYS 198 HE2 0.01 -0.00 -0.02 -0.04 2.99 2.94 2r9sB1 LYS 198 HE3 0.01 -0.02 -0.00 -0.04 2.99 2.94 2r9sB1 SER 199 H 0.01 0.11 0.14 -0.55 8.46 8.18 2r9sB1 SER 199 HA 0.01 0.13 0.32 -0.75 4.49 4.19 2r9sB1 SER 199 HB2 0.01 0.02 0.05 -0.04 3.95 3.99 2r9sB1 SER 199 HB3 0.01 0.02 0.09 -0.04 3.93 4.01 2r9sB1 ASP 200 H 0.02 -0.01 -0.26 -0.55 8.40 7.61 2r9sB1 ASP 200 HA 0.02 0.10 0.50 -0.75 4.63 4.50 2r9sB1 ASP 200 HB2 0.03 0.02 -0.00 -0.04 2.71 2.71 2r9sB1 ASP 200 HB3 0.02 -0.06 0.00 -0.04 2.70 2.62 2r9sB1 THR 202 HA -0.08 0.00 0.33 -0.75 4.39 3.89 2r9sB1 THR 202 HB -0.02 0.08 0.00 -0.04 4.32 4.34 2r9sB1 THR 202 HG23 0.07 0.00 -0.19 -0.04 1.22 1.06 2r9sB1 LEU 203 H -0.15 0.18 0.14 -0.55 8.37 7.99 2r9sB1 LEU 203 HA -0.08 0.29 1.17 -0.75 4.35 4.97 2r9sB1 LEU 203 HB2 -0.14 -0.01 -0.14 -0.04 1.64 1.30 2r9sB1 LEU 203 HB3 -0.20 -0.05 0.05 -0.04 1.64 1.40 2r9sB1 LEU 203 HG -0.10 0.06 -0.15 -0.04 1.64 1.42 2r9sB1 LEU 203 HD13 -0.12 0.00 -0.10 -0.04 0.93 0.68 2r9sB1 LEU 203 HD23 -0.12 -0.02 -0.44 -0.04 0.89 0.26 2r9sB1 LYS 204 H -0.06 0.90 0.33 -0.55 8.42 9.03 2r9sB1 LYS 204 HA -0.06 0.27 0.73 -0.75 4.32 4.51 2r9sB1 LYS 204 HB2 -0.04 -0.09 -0.12 -0.04 1.87 1.58 2r9sB1 LYS 204 HB3 -0.04 -0.04 -0.31 -0.04 1.79 1.37 2r9sB1 LYS 204 HG2 -0.03 0.16 -0.24 -0.04 1.46 1.31 2r9sB1 LYS 204 HG3 -0.04 -0.06 -0.64 -0.04 1.46 0.67 2r9sB1 LYS 204 HD2 -0.02 -0.11 -0.21 -0.04 1.69 1.31 2r9sB1 LYS 204 HD3 -0.01 -0.05 -0.21 -0.04 1.68 1.36 2r9sB1 LYS 204 HE2 -0.03 -0.00 -0.14 -0.04 2.99 2.78 2r9sB1 LYS 204 HE3 -0.01 -0.12 -0.12 -0.04 2.99 2.70 2r9sB1 ILE 205 H -0.09 0.82 0.28 -0.55 8.25 8.72 2r9sB1 ILE 205 HA -0.10 0.06 0.95 -0.75 4.18 4.34 2r9sB1 ILE 205 HB -0.14 0.04 0.23 -0.04 1.89 1.99 2r9sB1 ILE 205 HG12 -0.14 -0.09 0.08 -0.04 1.49 1.30 2r9sB1 ILE 205 HG13 -0.11 0.09 0.11 -0.04 1.21 1.26 2r9sB1 ILE 205 HG23 -0.10 -0.03 0.04 -0.04 0.93 0.80 2r9sB1 ILE 205 HD13 -0.12 0.01 -0.01 -0.04 0.88 0.73 2r9sB1 LEU 206 H -0.08 0.58 0.34 -0.55 8.37 8.66 2r9sB1 LEU 206 HA -0.07 0.05 0.43 -0.75 4.35 4.01 2r9sB1 LEU 206 HB2 -0.05 0.14 0.16 -0.04 1.64 1.85 2r9sB1 LEU 206 HB3 -0.03 -0.03 -0.13 -0.04 1.64 1.40 2r9sB1 LEU 206 HG -0.04 -0.02 -0.19 -0.04 1.64 1.36 2r9sB1 LEU 206 HD13 -0.02 -0.01 -0.06 -0.04 0.93 0.81 2r9sB1 LEU 206 HD23 -0.02 -0.00 -0.07 -0.04 0.89 0.75 2r9sB1 ASP 207 H -0.09 0.12 0.03 -0.55 8.40 7.91 2r9sB1 ASP 207 HA -0.16 0.31 0.90 -0.75 4.63 4.92 2r9sB1 ASP 207 HB2 0.01 -0.06 0.12 -0.04 2.71 2.74 2r9sB1 ASP 207 HB3 -0.01 0.07 -0.25 -0.04 2.70 2.47 2r9sB1 PHE 208 H 0.02 0.13 0.13 -0.55 8.34 8.06 2r9sB1 PHE 208 HA -0.25 0.17 0.48 -0.75 4.62 4.26 2r9sB1 PHE 208 HB2 -0.10 0.01 -0.08 -0.04 3.15 2.94 2r9sB1 PHE 208 HB3 -0.10 0.03 -0.02 -0.04 3.06 2.93 2r9sB1 PHE 208 HD2 -0.03 -0.04 -0.08 -0.04 7.28 7.09 2r9sB1 PHE 208 HE2 0.01 0.04 -0.13 -0.04 7.38 7.26 2r9sB1 PHE 208 HZ 0.01 0.15 -0.21 -0.04 7.32 7.24 2r9sB1 GLY 209 H -0.29 -0.07 -0.03 -0.55 8.43 7.50 2r9sB1 GLY 209 HA2 -0.16 -0.05 0.22 -0.51 4.01 3.51 2r9sB1 GLY 209 HA3 -0.41 0.19 0.50 -0.51 4.01 3.78 2r9sB1 LEU 210 H -0.04 0.49 0.33 -0.55 8.37 8.60 2r9sB1 LEU 210 HA -0.03 -0.02 0.51 -0.75 4.35 4.06 2r9sB1 LEU 210 HB2 -0.05 0.06 0.15 -0.04 1.64 1.75 2r9sB1 LEU 210 HB3 -0.02 -0.02 0.10 -0.04 1.64 1.66 2r9sB1 LEU 210 HG -0.01 0.05 0.18 -0.04 1.64 1.82 2r9sB1 LEU 210 HD13 -0.02 0.00 2.17 -0.04 0.93 3.04 2r9sB1 LEU 210 HD23 0.01 -0.03 -0.17 -0.04 0.89 0.65 2r9sB1 ALA 211 H -0.01 0.04 0.10 -0.55 8.40 7.98 2r9sB1 ALA 211 HA 0.01 0.14 -0.02 -0.75 4.34 3.71 2r9sB1 ALA 211 HB3 0.00 0.00 0.05 -0.04 1.41 1.42 2r9sB1 ARG 227 HA 0.06 0.04 0.18 -0.75 4.34 3.87 2r9sB1 ARG 227 HB2 -0.02 0.03 0.01 -0.04 1.90 1.88 2r9sB1 ARG 227 HB3 -0.22 -0.10 -0.01 -0.04 1.80 1.43 2r9sB1 ARG 227 HG2 0.02 0.02 -0.03 -0.04 1.67 1.65 2r9sB1 ARG 227 HG3 0.05 0.01 -0.04 -0.04 1.67 1.65 2r9sB1 ARG 227 HD2 -0.01 0.03 -0.27 -0.04 3.22 2.92 2r9sB1 ARG 227 HD3 0.08 -0.04 -0.14 -0.04 3.22 3.09 2r9sB1 TYR 228 H -0.26 0.09 0.09 -0.55 8.29 7.65 2r9sB1 TYR 228 HA 0.00 0.24 0.72 -0.75 4.56 4.77 2r9sB1 TYR 228 HB2 -0.57 -0.02 0.03 -0.04 3.06 2.45 2r9sB1 TYR 228 HB3 -0.36 -0.03 0.04 -0.04 2.98 2.59 2r9sB1 TYR 228 HD2 0.05 0.01 0.12 -0.04 7.15 7.28 2r9sB1 TYR 228 HE2 0.05 0.21 -0.01 -0.04 6.85 7.06 2r9sB1 TYR 229 H 0.30 0.43 -0.15 -0.55 8.29 8.32 2r9sB1 TYR 229 HA 0.33 0.17 0.69 -0.75 4.56 4.99 2r9sB1 TYR 229 HB2 0.11 0.15 0.10 -0.04 3.06 3.39 2r9sB1 TYR 229 HB3 0.13 -0.04 0.19 -0.04 2.98 3.21 2r9sB1 TYR 229 HD2 0.09 0.05 -0.04 -0.04 7.15 7.21 2r9sB1 TYR 229 HE2 0.12 0.02 -0.10 -0.04 6.85 6.85 2r9sB1 ARG 230 H 0.23 0.24 -0.32 -0.55 8.46 8.06 2r9sB1 ARG 230 HA 0.17 0.15 1.00 -0.75 4.34 4.90 2r9sB1 ARG 230 HB2 0.06 0.05 0.12 -0.04 1.90 2.09 2r9sB1 ARG 230 HB3 0.00 -0.06 0.02 -0.04 1.80 1.72 2r9sB1 ARG 230 HG2 0.07 0.20 0.15 -0.04 1.67 2.05 2r9sB1 ARG 230 HG3 0.12 0.06 -0.09 -0.04 1.67 1.72 2r9sB1 ARG 230 HD2 0.05 -0.04 0.03 -0.04 3.22 3.22 2r9sB1 ARG 230 HD3 0.02 -0.04 0.04 -0.04 3.22 3.20 2r9sB1 ALA 231 H 0.02 0.09 0.17 -0.55 8.40 8.13 2r9sB1 ALA 231 HA -1.35 0.19 0.28 -0.75 4.34 2.70 2r9sB1 ALA 231 HB3 -0.07 0.03 0.24 -0.04 1.41 1.57 2r9sB1 PRO 232 HA -0.23 0.10 0.51 -0.51 4.44 4.31 2r9sB1 PRO 232 HB2 -0.23 0.15 0.12 -0.04 2.28 2.28 2r9sB1 PRO 232 HB3 -0.02 0.01 0.10 -0.04 2.02 2.07 2r9sB1 PRO 232 HG2 -0.85 0.04 0.17 -0.04 2.03 1.34 2r9sB1 PRO 232 HG3 -0.81 0.06 0.10 -0.04 2.03 1.33 2r9sB1 PRO 232 HD2 -0.95 0.15 0.27 -0.04 3.68 3.11 2r9sB1 PRO 232 HD3 -3.10 0.15 0.18 -0.04 3.65 0.84 2r9sB1 GLU 233 H -0.13 0.10 -0.22 -0.55 8.60 7.80 2r9sB1 GLU 233 HA -0.02 0.10 0.45 -0.75 4.29 4.06 2r9sB1 GLU 233 HB2 0.03 0.31 0.02 -0.04 2.09 2.41 2r9sB1 GLU 233 HB3 0.08 -0.02 0.08 -0.04 1.99 2.08 2r9sB1 GLU 233 HG2 0.05 -0.04 -0.03 -0.04 2.34 2.29 2r9sB1 GLU 233 HG3 0.10 0.01 0.14 -0.04 2.34 2.55 2r9sB1 VAL 234 H -0.09 0.11 -0.19 -0.55 8.24 7.53 2r9sB1 VAL 234 HA -0.02 0.15 0.49 -0.75 4.13 3.99 2r9sB1 VAL 234 HB -0.07 0.02 0.14 -0.04 2.12 2.17 2r9sB1 VAL 234 HG13 -0.04 0.03 -0.16 -0.04 0.97 0.76 2r9sB1 VAL 234 HG23 -0.10 -0.01 0.03 -0.04 0.95 0.83 2r9sB1 ILE 235 H -0.14 0.50 -0.08 -0.55 8.25 7.98 2r9sB1 ILE 235 HA -0.22 0.03 0.46 -0.75 4.18 3.70 2r9sB1 ILE 235 HB -0.17 0.09 0.07 -0.04 1.89 1.83 2r9sB1 ILE 235 HG12 -0.28 -0.06 0.02 -0.04 1.49 1.14 2r9sB1 ILE 235 HG13 -0.15 -0.11 -0.03 -0.04 1.21 0.88 2r9sB1 ILE 235 HG23 -0.27 -0.01 -0.14 -0.04 0.93 0.46 2r9sB1 ILE 235 HD13 -0.06 0.06 -0.13 -0.04 0.88 0.71 2r9sB1 LEU 236 H -0.17 0.43 -0.29 -0.55 8.37 7.80 2r9sB1 LEU 236 HA -0.20 0.08 0.53 -0.75 4.35 4.02 2r9sB1 LEU 236 HB2 -0.19 0.10 0.11 -0.04 1.64 1.61 2r9sB1 LEU 236 HB3 -0.26 -0.09 0.13 -0.04 1.64 1.38 2r9sB1 LEU 236 HG -0.54 0.03 0.04 -0.04 1.64 1.13 2r9sB1 LEU 236 HD13 -0.64 -0.02 -0.05 -0.04 0.93 0.18 2r9sB1 LEU 236 HD23 -0.64 -0.01 -0.05 -0.04 0.89 0.16 2r9sB1 GLY 237 H -0.07 0.26 -0.74 -0.55 8.43 7.33 2r9sB1 GLY 237 HA2 -0.01 0.06 0.26 -0.51 4.01 3.81 2r9sB1 GLY 237 HA3 -0.03 -0.06 0.22 -0.51 4.01 3.64 2r9sB1 MET 238 H -0.06 0.33 -0.07 -0.55 8.47 8.12 2r9sB1 MET 238 HA -0.06 0.11 0.90 -0.75 4.52 4.72 2r9sB1 MET 238 HB2 -0.12 0.16 0.24 -0.04 2.15 2.38 2r9sB1 MET 238 HB3 -0.16 -0.00 -0.00 -0.04 2.03 1.83 2r9sB1 MET 238 HG2 -0.04 0.13 -0.10 -0.04 2.63 2.58 2r9sB1 MET 238 HG3 -0.10 -0.09 0.04 -0.04 2.56 2.36 2r9sB1 MET 238 HE3 -0.67 -0.04 -0.10 -0.04 2.10 1.26 2r9sB1 GLY 239 H -0.05 0.07 0.16 -0.55 8.43 8.07 2r9sB1 GLY 239 HA2 -0.04 0.03 0.39 -0.51 4.01 3.89 2r9sB1 GLY 239 HA3 -0.05 -0.01 0.33 -0.51 4.01 3.76 2r9sB1 TYR 240 H -0.27 0.20 0.20 -0.55 8.29 7.87 2r9sB1 TYR 240 HA -0.00 0.12 0.68 -0.75 4.56 4.61 2r9sB1 TYR 240 HB2 0.01 -0.10 0.11 -0.04 3.06 3.03 2r9sB1 TYR 240 HB3 -0.01 0.14 -0.15 -0.04 2.98 2.92 2r9sB1 TYR 240 HD2 -0.01 0.02 -0.23 -0.04 7.15 6.89 2r9sB1 TYR 240 HE2 -0.00 0.01 -0.09 -0.04 6.85 6.73 2r9sB1 LYS 241 H 0.19 0.19 0.18 -0.55 8.42 8.42 2r9sB1 LYS 241 HA -0.01 0.26 0.68 -0.75 4.32 4.49 2r9sB1 LYS 241 HB2 0.04 -0.00 -0.06 -0.04 1.87 1.81 2r9sB1 LYS 241 HB3 0.01 -0.11 0.11 -0.04 1.79 1.76 2r9sB1 LYS 241 HG2 -0.05 0.03 0.09 -0.04 1.46 1.50 2r9sB1 LYS 241 HG3 -0.06 0.17 -0.24 -0.04 1.46 1.29 2r9sB1 LYS 241 HD2 0.01 -0.02 -0.11 -0.04 1.69 1.53 2r9sB1 LYS 241 HD3 -0.00 -0.01 -0.02 -0.04 1.68 1.61 2r9sB1 LYS 241 HE2 -0.02 0.01 -0.02 -0.04 2.99 2.91 2r9sB1 LYS 241 HE3 -0.05 0.04 -0.05 -0.04 2.99 2.89 2r9sB1 GLU 242 H -0.03 0.25 0.15 -0.55 8.60 8.42 2r9sB1 GLU 242 HA -0.34 0.10 0.30 -0.75 4.29 3.60 2r9sB1 GLU 242 HB2 -0.01 -0.02 0.17 -0.04 2.09 2.20 2r9sB1 GLU 242 HB3 0.02 -0.02 0.02 -0.04 1.99 1.98 2r9sB1 GLU 242 HG2 -0.03 0.04 0.06 -0.04 2.34 2.37 2r9sB1 GLU 242 HG3 -0.65 0.06 0.09 -0.04 2.34 1.81 2r9sB1 ASN 243 H 0.07 0.12 -0.37 -0.55 8.53 7.81 2r9sB1 ASN 243 HA 0.16 0.05 0.27 -0.75 4.76 4.48 2r9sB1 ASN 243 HB2 0.12 0.20 0.14 -0.04 2.88 3.30 2r9sB1 ASN 243 HB3 0.10 -0.10 0.07 -0.04 2.79 2.82 2r9sB1 ASN 243 HD21 0.09 0.27 0.08 -0.04 7.03 7.43 2r9sB1 ASN 243 HD22 0.09 0.23 -0.12 -0.04 7.74 7.90 2r9sB1 VAL 244 H 0.12 0.68 -0.34 -0.55 8.24 8.15 2r9sB1 VAL 244 HA 0.13 0.07 0.60 -0.75 4.13 4.18 2r9sB1 VAL 244 HB 0.15 -0.01 0.20 -0.04 2.12 2.42 2r9sB1 VAL 244 HG13 0.02 0.03 -0.05 -0.04 0.97 0.93 2r9sB1 VAL 244 HG23 -0.00 -0.00 0.09 -0.04 0.95 0.99 2r9sB1 ASP 245 H 0.17 0.43 0.00 -0.55 8.40 8.44 2r9sB1 ASP 245 HA 0.13 0.03 0.47 -0.75 4.63 4.51 2r9sB1 ASP 245 HB2 0.26 0.18 0.16 -0.04 2.71 3.27 2r9sB1 ASP 245 HB3 0.09 0.05 0.07 -0.04 2.70 2.87 2r9sB1 ILE 246 H 0.17 0.24 -0.43 -0.55 8.25 7.68 2r9sB1 ILE 246 HA 0.07 0.03 0.47 -0.75 4.18 4.00 2r9sB1 ILE 246 HB 0.15 0.27 0.17 -0.04 1.89 2.44 2r9sB1 ILE 246 HG12 0.12 -0.17 -0.04 -0.04 1.49 1.36 2r9sB1 ILE 246 HG13 0.10 0.11 -0.07 -0.04 1.21 1.31 2r9sB1 ILE 246 HG23 0.07 0.07 -0.05 -0.04 0.93 0.99 2r9sB1 ILE 246 HD13 0.05 -0.01 -0.10 -0.04 0.88 0.77 2r9sB1 TRP 247 H 0.33 0.29 -0.15 -0.55 7.97 7.89 2r9sB1 TRP 247 HA 0.08 0.22 0.44 -0.75 4.62 4.61 2r9sB1 TRP 247 HB2 0.07 0.05 0.19 -0.04 3.23 3.49 2r9sB1 TRP 247 HB3 0.07 0.06 0.19 -0.04 3.23 3.51 2r9sB1 TRP 247 HD1 0.11 -0.00 -0.64 -0.04 7.22 6.64 2r9sB1 TRP 247 HE1 0.06 0.12 -0.22 -0.04 10.20 10.12 2r9sB1 TRP 247 HE3 0.05 0.17 0.03 -0.04 7.59 7.81 2r9sB1 TRP 247 HZ2 -0.66 0.03 -0.08 -0.04 7.44 6.69 2r9sB1 TRP 247 HZ3 0.01 -0.13 -0.81 -0.04 7.13 6.16 2r9sB1 TRP 247 HH2 -0.24 0.03 -0.17 -0.04 7.19 6.77 2r9sB1 SER 248 H 0.31 0.19 -0.15 -0.55 8.46 8.26 2r9sB1 SER 248 HA 0.23 0.03 0.34 -0.75 4.49 4.33 2r9sB1 SER 248 HB2 0.08 0.01 0.11 -0.04 3.95 4.11 2r9sB1 SER 248 HB3 0.09 0.13 0.07 -0.04 3.93 4.18 2r9sB1 VAL 249 H 0.04 0.38 -0.26 -0.55 8.24 7.86 2r9sB1 VAL 249 HA -0.03 0.00 0.40 -0.75 4.13 3.75 2r9sB1 VAL 249 HB -0.00 0.11 0.09 -0.04 2.12 2.28 2r9sB1 VAL 249 HG13 -0.02 -0.01 -0.09 -0.04 0.97 0.81 2r9sB1 VAL 249 HG23 -0.02 0.08 0.00 -0.04 0.95 0.97 2r9sB1 GLY 250 H -0.07 0.57 -0.29 -0.55 8.43 8.10 2r9sB1 GLY 250 HA2 -0.12 -0.04 0.41 -0.51 4.01 3.75 2r9sB1 GLY 250 HA3 -0.22 0.12 0.25 -0.51 4.01 3.65 2r9sB1 CYS 251 H -0.19 0.46 -0.09 -0.55 8.50 8.13 2r9sB1 CYS 251 HA -0.11 0.03 0.43 -0.75 4.58 4.17 2r9sB1 CYS 251 HB2 0.26 0.07 0.12 -0.04 2.97 3.39 2r9sB1 CYS 251 HB3 0.07 -0.08 -0.00 -0.04 2.97 2.91 2r9sB1 ILE 252 H 0.07 0.61 -0.16 -0.55 8.25 8.22 2r9sB1 ILE 252 HA 0.12 -0.03 0.28 -0.75 4.18 3.79 2r9sB1 ILE 252 HB -0.03 0.12 0.10 -0.04 1.89 2.04 2r9sB1 ILE 252 HG12 -0.20 -0.11 -0.03 -0.04 1.49 1.12 2r9sB1 ILE 252 HG13 -0.02 0.08 0.00 -0.04 1.21 1.23 2r9sB1 ILE 252 HG23 -0.04 -0.01 -0.15 -0.04 0.93 0.68 2r9sB1 ILE 252 HD13 -0.15 -0.03 -0.27 -0.04 0.88 0.39 2r9sB1 MET 253 H -0.04 0.49 -0.27 -0.55 8.47 8.09 2r9sB1 MET 253 HA -0.05 0.01 0.35 -0.75 4.52 4.08 2r9sB1 MET 253 HB2 -0.05 -0.00 0.05 -0.04 2.15 2.11 2r9sB1 MET 253 HB3 -0.11 0.09 0.16 -0.04 2.03 2.13 2r9sB1 MET 253 HG2 -0.20 0.02 -0.30 -0.04 2.63 2.12 2r9sB1 MET 253 HG3 -0.08 -0.05 -0.04 -0.04 2.56 2.35 2r9sB1 MET 253 HE3 -0.36 -0.02 -0.03 -0.04 2.10 1.66 2r9sB1 GLY 254 H -0.09 0.60 0.01 -0.55 8.43 8.40 2r9sB1 GLY 254 HA2 -0.09 0.01 0.48 -0.51 4.01 3.90 2r9sB1 GLY 254 HA3 0.11 0.10 0.32 -0.51 4.01 4.03 2r9sB1 GLU 255 H -0.01 0.48 -0.27 -0.55 8.60 8.25 2r9sB1 GLU 255 HA -0.06 0.22 0.49 -0.75 4.29 4.19 2r9sB1 GLU 255 HB2 0.04 -0.04 0.05 -0.04 2.09 2.11 2r9sB1 GLU 255 HB3 0.05 0.15 0.06 -0.04 1.99 2.21 2r9sB1 GLU 255 HG2 0.03 0.04 -0.26 -0.04 2.34 2.11 2r9sB1 GLU 255 HG3 -0.01 0.00 -0.45 -0.04 2.34 1.84 2r9sB1 MET 256 H -0.06 0.38 -0.20 -0.55 8.47 8.04 2r9sB1 MET 256 HA -0.07 0.09 0.52 -0.75 4.52 4.31 2r9sB1 MET 256 HB2 -0.07 0.19 0.20 -0.04 2.15 2.43 2r9sB1 MET 256 HB3 -0.05 -0.07 0.01 -0.04 2.03 1.87 2r9sB1 MET 256 HG2 -0.01 -0.02 0.02 -0.04 2.63 2.58 2r9sB1 MET 256 HG3 -0.02 0.23 0.08 -0.04 2.56 2.80 2r9sB1 MET 256 HE3 -0.01 -0.01 -0.11 -0.04 2.10 1.94 2r9sB1 VAL 257 H -0.16 0.31 -0.18 -0.55 8.24 7.66 2r9sB1 VAL 257 HA -0.38 0.09 0.61 -0.75 4.13 3.69 2r9sB1 VAL 257 HB -0.09 0.07 0.11 -0.04 2.12 2.17 2r9sB1 VAL 257 HG13 -0.57 -0.01 -0.11 -0.04 0.97 0.24 2r9sB1 VAL 257 HG23 -0.23 0.01 -0.04 -0.04 0.95 0.65 2r9sB1 ARG 258 H -0.13 0.56 0.01 -0.55 8.46 8.35 2r9sB1 ARG 258 HA -0.15 0.09 0.67 -0.75 4.34 4.20 2r9sB1 ARG 258 HB2 -0.06 0.12 0.11 -0.04 1.90 2.03 2r9sB1 ARG 258 HB3 -0.12 -0.06 0.04 -0.04 1.80 1.61 2r9sB1 ARG 258 HG2 -0.14 -0.06 -0.00 -0.04 1.67 1.42 2r9sB1 ARG 258 HG3 -0.19 0.01 0.05 -0.04 1.67 1.49 2r9sB1 ARG 258 HD2 -0.27 0.01 -0.10 -0.04 3.22 2.83 2r9sB1 ARG 258 HD3 -0.25 -0.06 -0.04 -0.04 3.22 2.83 2r9sB1 HIS 259 H -0.34 0.42 -0.24 -0.55 8.41 7.70 2r9sB1 HIS 259 HA -0.03 0.09 0.26 -0.75 4.63 4.19 2r9sB1 HIS 259 HB2 -0.05 -0.01 0.25 -0.04 3.26 3.42 2r9sB1 HIS 259 HB3 -0.03 -0.07 0.13 -0.04 3.20 3.19 2r9sB1 HIS 259 HD2 -0.06 -0.03 -0.22 -0.04 6.97 6.61 2r9sB1 HIS 259 HE1 -0.05 -0.03 0.01 -0.04 7.75 7.64 2r9sB1 LYS 260 H -0.07 0.26 -0.24 -0.55 8.42 7.81 2r9sB1 LYS 260 HA -0.04 -0.02 0.13 -0.75 4.32 3.64 2r9sB1 LYS 260 HB2 -0.10 0.02 -0.12 -0.04 1.87 1.64 2r9sB1 LYS 260 HB3 -0.12 0.14 -0.07 -0.04 1.79 1.70 2r9sB1 LYS 260 HG2 -0.06 -0.13 0.11 -0.04 1.46 1.34 2r9sB1 LYS 260 HG3 -0.03 0.25 0.11 -0.04 1.46 1.75 2r9sB1 LYS 260 HD2 -0.09 0.03 -0.03 -0.04 1.69 1.56 2r9sB1 LYS 260 HD3 -0.09 -0.04 0.00 -0.04 1.68 1.51 2r9sB1 LYS 260 HE2 -0.04 0.06 0.02 -0.04 2.99 2.99 2r9sB1 LYS 260 HE3 -0.05 -0.04 0.00 -0.04 2.99 2.86 2r9sB1 ILE 261 H -0.11 0.07 0.00 -0.55 8.25 7.66 2r9sB1 ILE 261 HA -0.15 0.04 0.52 -0.75 4.18 3.83 2r9sB1 ILE 261 HB -0.32 0.02 -0.05 -0.04 1.89 1.51 2r9sB1 ILE 261 HG12 -0.04 -0.00 -0.02 -0.04 1.49 1.38 2r9sB1 ILE 261 HG13 -0.08 -0.00 0.01 -0.04 1.21 1.10 2r9sB1 ILE 261 HG23 -0.48 -0.04 -0.22 -0.04 0.93 0.15 2r9sB1 ILE 261 HD13 -0.32 -0.00 -0.04 -0.04 0.88 0.48 2r9sB1 LEU 262 H -0.33 0.07 0.10 -0.55 8.37 7.67 2r9sB1 LEU 262 HA -0.45 0.18 0.45 -0.75 4.35 3.78 2r9sB1 LEU 262 HB2 -1.17 -0.05 0.05 -0.04 1.64 0.43 2r9sB1 LEU 262 HB3 -1.28 0.04 -0.02 -0.04 1.64 0.35 2r9sB1 LEU 262 HG -0.26 -0.01 0.05 -0.04 1.64 1.37 2r9sB1 LEU 262 HD13 -0.23 -0.02 0.01 -0.04 0.93 0.65 2r9sB1 LEU 262 HD23 -0.23 0.03 -0.21 -0.04 0.89 0.44 2r9sB1 PHE 263 H -0.25 -0.00 -0.12 -0.55 8.34 7.42 2r9sB1 PHE 263 HA -0.09 0.25 0.75 -0.75 4.62 4.78 2r9sB1 PHE 263 HB2 0.03 0.10 0.21 -0.04 3.15 3.45 2r9sB1 PHE 263 HB3 0.05 0.03 0.06 -0.04 3.06 3.15 2r9sB1 PHE 263 HD2 -0.00 0.12 -0.16 -0.04 7.28 7.19 2r9sB1 PHE 263 HE2 -0.23 0.02 -0.01 -0.04 7.38 7.11 2r9sB1 PHE 263 HZ -0.08 0.02 -0.06 -0.04 7.32 7.17 2r9sB1 PRO 264 HA -0.62 0.08 0.53 -0.51 4.44 3.92 2r9sB1 PRO 264 HB2 -0.19 -0.01 0.06 -0.04 2.28 2.10 2r9sB1 PRO 264 HB3 -0.37 -0.01 -0.05 -0.04 2.02 1.56 2r9sB1 PRO 264 HG2 -0.09 -0.03 -0.00 -0.04 2.03 1.87 2r9sB1 PRO 264 HG3 -0.16 0.13 -0.09 -0.04 2.03 1.87 2r9sB1 PRO 264 HD2 -0.04 0.11 -0.06 -0.04 3.68 3.64 2r9sB1 PRO 264 HD3 -0.17 0.27 -0.81 -0.04 3.65 2.90 2r9sB1 GLY 265 H 0.27 0.34 0.01 -0.55 8.43 8.51 2r9sB1 GLY 265 HA2 0.11 -0.01 0.33 -0.51 4.01 3.93 2r9sB1 GLY 265 HA3 0.19 0.06 0.28 -0.51 4.01 4.02 2r9sB1 ARG 266 H 0.10 0.12 0.12 -0.55 8.46 8.24 2r9sB1 ARG 266 HA 0.13 0.21 0.74 -0.75 4.34 4.67 2r9sB1 ARG 266 HB2 0.06 -0.04 0.09 -0.04 1.90 1.97 2r9sB1 ARG 266 HB3 0.06 -0.01 0.15 -0.04 1.80 1.96 2r9sB1 ARG 266 HG2 0.07 0.04 0.01 -0.04 1.67 1.75 2r9sB1 ARG 266 HG3 0.05 0.10 -0.04 -0.04 1.67 1.74 2r9sB1 ARG 266 HD2 0.03 -0.02 0.01 -0.04 3.22 3.21 2r9sB1 ARG 266 HD3 0.04 -0.03 0.03 -0.04 3.22 3.21 2r9sB1 ASP 267 H 0.13 0.13 -0.16 -0.55 8.40 7.95 2r9sB1 ASP 267 HA 0.12 0.17 0.10 -0.75 4.63 4.26 2r9sB1 ASP 267 HB2 0.10 -0.08 0.19 -0.04 2.71 2.88 2r9sB1 ASP 267 HB3 0.07 0.30 0.30 -0.04 2.70 3.33 2r9sB1 TYR 268 H 0.26 0.20 0.09 -0.55 8.29 8.29 2r9sB1 TYR 268 HA 0.06 0.16 0.45 -0.75 4.56 4.47 2r9sB1 TYR 268 HB2 0.01 -0.05 0.16 -0.04 3.06 3.14 2r9sB1 TYR 268 HB3 0.01 0.06 -0.01 -0.04 2.98 3.00 2r9sB1 TYR 268 HD2 -0.01 -0.04 0.00 -0.04 7.15 7.06 2r9sB1 TYR 268 HE2 -0.02 0.03 0.02 -0.04 6.85 6.84 2r9sB1 ILE 269 H 0.17 0.04 -0.19 -0.55 8.25 7.72 2r9sB1 ILE 269 HA 0.25 0.18 0.36 -0.75 4.18 4.20 2r9sB1 ILE 269 HB 0.12 -0.08 0.10 -0.04 1.89 1.98 2r9sB1 ILE 269 HG12 0.03 -0.04 0.02 -0.04 1.49 1.46 2r9sB1 ILE 269 HG13 -0.02 0.06 -0.00 -0.04 1.21 1.21 2r9sB1 ILE 269 HG23 0.23 0.03 -0.13 -0.04 0.93 1.03 2r9sB1 ILE 269 HD13 -0.12 0.02 -0.09 -0.04 0.88 0.65 2r9sB1 ASP 270 H 0.13 0.06 -0.05 -0.55 8.40 7.99 2r9sB1 ASP 270 HA 0.09 0.09 0.35 -0.75 4.63 4.42 2r9sB1 ASP 270 HB2 0.08 0.03 0.09 -0.04 2.71 2.87 2r9sB1 ASP 270 HB3 0.09 -0.18 0.09 -0.04 2.70 2.65 2r9sB1 GLN 271 H 0.14 0.36 -0.35 -0.55 8.47 8.07 2r9sB1 GLN 271 HA 0.12 -0.02 0.38 -0.75 4.36 4.09 2r9sB1 GLN 271 HB2 0.14 -0.03 0.08 -0.04 2.15 2.30 2r9sB1 GLN 271 HB3 0.10 0.26 0.09 -0.04 2.02 2.43 2r9sB1 GLN 271 HG2 0.03 0.01 -0.01 -0.04 2.40 2.38 2r9sB1 GLN 271 HG3 0.10 0.01 -0.26 -0.04 2.39 2.20 2r9sB1 GLN 271 HE21 0.26 0.21 0.19 -0.04 6.97 7.59 2r9sB1 GLN 271 HE22 0.12 -0.06 0.00 -0.04 7.69 7.72 2r9sB1 TRP 272 H 0.27 0.41 -0.12 -0.55 7.97 7.99 2r9sB1 TRP 272 HA -0.09 0.06 0.55 -0.75 4.62 4.38 2r9sB1 TRP 272 HB2 0.00 0.01 0.11 -0.04 3.23 3.32 2r9sB1 TRP 272 HB3 0.06 0.10 0.13 -0.04 3.23 3.48 2r9sB1 TRP 272 HD1 -0.21 0.01 -0.12 -0.04 7.22 6.87 2r9sB1 TRP 272 HE1 -0.13 0.07 -0.03 -0.04 10.20 10.07 2r9sB1 TRP 272 HE3 -0.16 0.03 0.06 -0.04 7.59 7.47 2r9sB1 TRP 272 HZ2 -0.04 0.03 -0.01 -0.04 7.44 7.38 2r9sB1 TRP 272 HZ3 -0.32 -0.02 0.04 -0.04 7.13 6.78 2r9sB1 TRP 272 HH2 -0.37 -0.03 -0.02 -0.04 7.19 6.72 2r9sB1 ASN 273 H 0.08 0.28 -0.18 -0.55 8.53 8.17 2r9sB1 ASN 273 HA -0.33 0.04 0.40 -0.75 4.76 4.13 2r9sB1 ASN 273 HB2 -0.02 0.10 0.20 -0.04 2.88 3.11 2r9sB1 ASN 273 HB3 -0.10 -0.02 0.05 -0.04 2.79 2.67 2r9sB1 ASN 273 HD21 0.14 -0.01 -0.06 -0.04 7.03 7.05 2r9sB1 ASN 273 HD22 0.06 -0.00 -0.02 -0.04 7.74 7.74 2r9sB1 LYS 274 H -0.07 0.56 -0.16 -0.55 8.42 8.19 2r9sB1 LYS 274 HA -0.12 -0.00 0.21 -0.75 4.32 3.65 2r9sB1 LYS 274 HB2 0.08 0.10 -0.04 -0.04 1.87 1.97 2r9sB1 LYS 274 HB3 0.07 0.08 0.04 -0.04 1.79 1.93 2r9sB1 LYS 274 HG2 -0.01 0.06 -0.02 -0.04 1.46 1.45 2r9sB1 LYS 274 HG3 0.04 -0.12 -0.39 -0.04 1.46 0.96 2r9sB1 LYS 274 HD2 -0.02 0.06 -0.13 -0.04 1.69 1.55 2r9sB1 LYS 274 HD3 -0.04 0.01 -0.04 -0.04 1.68 1.57 2r9sB1 LYS 274 HE2 -0.02 -0.03 -0.06 -0.04 2.99 2.84 2r9sB1 LYS 274 HE3 0.01 -0.12 -0.09 -0.04 2.99 2.74 2r9sB1 VAL 275 H -0.33 0.25 -0.53 -0.55 8.24 7.08 2r9sB1 VAL 275 HA -0.48 0.10 0.54 -0.75 4.13 3.54 2r9sB1 VAL 275 HB -0.68 0.09 0.18 -0.04 2.12 1.68 2r9sB1 VAL 275 HG13 -0.46 -0.01 -0.09 -0.04 0.97 0.37 2r9sB1 VAL 275 HG23 -0.60 0.05 0.01 -0.04 0.95 0.38 2r9sB1 ILE 276 H -0.90 0.43 0.04 -0.55 8.25 7.27 2r9sB1 ILE 276 HA -0.40 0.18 0.40 -0.75 4.18 3.61 2r9sB1 ILE 276 HB -0.31 -0.13 -0.25 -0.04 1.89 1.16 2r9sB1 ILE 276 HG12 -1.01 0.28 0.18 -0.04 1.49 0.90 2r9sB1 ILE 276 HG13 -0.70 0.02 0.03 -0.04 1.21 0.52 2r9sB1 ILE 276 HG23 -0.79 0.08 0.01 -0.04 0.93 0.19 2r9sB1 ILE 276 HD13 -0.34 -0.02 -0.03 -0.04 0.88 0.46 2r9sB1 GLU 277 H -0.57 0.73 -0.09 -0.55 8.60 8.12 2r9sB1 GLU 277 HA -0.64 -0.07 0.44 -0.75 4.29 3.27 2r9sB1 GLU 277 HB2 -0.26 0.08 0.03 -0.04 2.09 1.90 2r9sB1 GLU 277 HB3 -0.21 -0.04 -0.03 -0.04 1.99 1.67 2r9sB1 GLU 277 HG2 -0.86 -0.08 0.00 -0.04 2.34 1.35 2r9sB1 GLU 277 HG3 -0.69 0.29 0.02 -0.04 2.34 1.91 2r9sB1 GLN 278 H -0.12 0.36 -0.41 -0.55 8.47 7.76 2r9sB1 GLN 278 HA -0.11 0.06 0.68 -0.75 4.36 4.24 2r9sB1 GLN 278 HB2 0.18 0.14 0.18 -0.04 2.15 2.61 2r9sB1 GLN 278 HB3 -0.10 -0.04 0.02 -0.04 2.02 1.86 2r9sB1 GLN 278 HG2 -0.17 -0.05 0.02 -0.04 2.40 2.15 2r9sB1 GLN 278 HG3 -0.09 -0.08 -0.06 -0.04 2.39 2.12 2r9sB1 GLN 278 HE21 -0.24 0.82 0.25 -0.04 6.97 7.76 2r9sB1 GLN 278 HE22 -0.01 0.01 0.14 -0.04 7.69 7.80 2r9sB1 LEU 279 H -0.09 0.46 0.11 -0.55 8.37 8.30 2r9sB1 LEU 279 HA -0.07 0.15 0.75 -0.75 4.35 4.43 2r9sB1 LEU 279 HB2 -0.04 0.05 -0.02 -0.04 1.64 1.58 2r9sB1 LEU 279 HB3 0.07 -0.05 0.08 -0.04 1.64 1.70 2r9sB1 LEU 279 HG 0.12 0.07 0.03 -0.04 1.64 1.82 2r9sB1 LEU 279 HD13 0.28 -0.00 -0.11 -0.04 0.93 1.05 2r9sB1 LEU 279 HD23 0.01 0.01 -0.11 -0.04 0.89 0.76 2r9sB1 GLY 280 H -0.11 0.44 -0.04 -0.55 8.43 8.17 2r9sB1 GLY 280 HA2 0.02 -0.16 -0.13 -0.51 4.01 3.23 2r9sB1 GLY 280 HA3 0.00 0.26 0.28 -0.51 4.01 4.05 2r9sB1 THR 281 H 0.04 0.41 0.21 -0.55 8.28 8.39 2r9sB1 THR 281 HA -0.03 0.06 0.62 -0.75 4.39 4.29 2r9sB1 THR 281 HB 0.09 0.12 0.04 -0.04 4.32 4.53 2r9sB1 THR 281 HG23 0.09 -0.14 0.15 -0.04 1.22 1.28 2r9sB1 PRO 282 HA 0.00 0.11 0.64 -0.51 4.44 4.69 2r9sB1 PRO 282 HB2 -0.08 -0.05 -0.06 -0.04 2.28 2.04 2r9sB1 PRO 282 HB3 -0.28 -0.04 0.04 -0.04 2.02 1.70 2r9sB1 PRO 282 HG2 0.33 0.03 -0.06 -0.04 2.03 2.28 2r9sB1 PRO 282 HG3 -0.03 0.03 -0.01 -0.04 2.03 1.97 2r9sB1 PRO 282 HD2 0.23 0.09 0.18 -0.04 3.68 4.14 2r9sB1 PRO 282 HD3 0.01 0.20 0.20 -0.04 3.65 4.01 2r9sB1 CYS 283 H 0.08 0.03 0.12 -0.55 8.50 8.19 2r9sB1 CYS 283 HA 0.08 0.21 0.15 -0.75 4.58 4.27 2r9sB1 CYS 283 HB2 0.09 -0.09 0.13 -0.04 2.97 3.06 2r9sB1 CYS 283 HB3 0.07 -0.04 0.13 -0.04 2.97 3.09 2r9sB1 PRO 284 HA 0.07 0.14 0.45 -0.51 4.44 4.59 2r9sB1 PRO 284 HB2 0.04 -0.02 0.06 -0.04 2.28 2.32 2r9sB1 PRO 284 HB3 0.04 0.06 0.09 -0.04 2.02 2.17 2r9sB1 PRO 284 HG2 0.04 0.03 0.09 -0.04 2.03 2.15 2r9sB1 PRO 284 HG3 0.04 0.11 0.10 -0.04 2.03 2.24 2r9sB1 PRO 284 HD2 0.05 0.06 0.21 -0.04 3.68 3.96 2r9sB1 PRO 284 HD3 0.06 0.23 0.14 -0.04 3.65 4.04 2r9sB1 GLU 285 H 0.07 0.07 -0.38 -0.55 8.60 7.82 2r9sB1 GLU 285 HA 0.03 0.09 0.25 -0.75 4.29 3.91 2r9sB1 GLU 285 HB2 0.08 -0.01 -0.03 -0.04 2.09 2.09 2r9sB1 GLU 285 HB3 0.04 0.04 -0.01 -0.04 1.99 2.03 2r9sB1 GLU 285 HG2 0.04 0.04 -0.01 -0.04 2.34 2.37 2r9sB1 GLU 285 HG3 0.03 0.02 -0.01 -0.04 2.34 2.33 2r9sB1 PHE 286 H 0.22 0.18 -0.20 -0.55 8.34 7.99 2r9sB1 PHE 286 HA 0.00 0.06 0.57 -0.75 4.62 4.50 2r9sB1 PHE 286 HB2 0.03 -0.11 0.03 -0.04 3.15 3.06 2r9sB1 PHE 286 HB3 0.05 0.15 -0.07 -0.04 3.06 3.14 2r9sB1 PHE 286 HD2 0.03 -0.01 -0.19 -0.04 7.28 7.07 2r9sB1 PHE 286 HE2 -0.11 0.02 -0.12 -0.04 7.38 7.13 2r9sB1 PHE 286 HZ -0.25 0.04 -0.16 -0.04 7.32 6.92 2r9sB1 MET 287 H 0.12 0.33 -0.34 -0.55 8.47 8.03 2r9sB1 MET 287 HA -0.20 0.05 0.47 -0.75 4.52 4.08 2r9sB1 MET 287 HB2 0.05 0.15 0.13 -0.04 2.15 2.44 2r9sB1 MET 287 HB3 -0.00 -0.04 0.03 -0.04 2.03 1.97 2r9sB1 MET 287 HG2 0.13 -0.03 -0.07 -0.04 2.63 2.61 2r9sB1 MET 287 HG3 0.30 -0.02 -0.15 -0.04 2.56 2.65 2r9sB1 MET 287 HE3 0.21 -0.00 -0.10 -0.04 2.10 2.17 2r9sB1 LYS 288 H -0.06 0.28 -0.32 -0.55 8.42 7.77 2r9sB1 LYS 288 HA -0.06 0.06 0.31 -0.75 4.32 3.87 2r9sB1 LYS 288 HB2 -0.04 0.14 0.07 -0.04 1.87 2.00 2r9sB1 LYS 288 HB3 -0.04 -0.05 0.08 -0.04 1.79 1.74 2r9sB1 LYS 288 HG2 -0.02 -0.03 -0.02 -0.04 1.46 1.36 2r9sB1 LYS 288 HG3 -0.01 0.26 0.01 -0.04 1.46 1.68 2r9sB1 LYS 288 HD2 0.00 -0.05 -0.05 -0.04 1.69 1.55 2r9sB1 LYS 288 HD3 -0.01 -0.01 -0.02 -0.04 1.68 1.60 2r9sB1 LYS 288 HE2 0.01 -0.04 -0.05 -0.04 2.99 2.86 2r9sB1 LYS 288 HE3 -0.00 -0.01 -0.03 -0.04 2.99 2.91 2r9sB1 LYS 289 H -0.24 0.30 -0.52 -0.55 8.42 7.41 2r9sB1 LYS 289 HA -0.12 0.10 0.70 -0.75 4.32 4.26 2r9sB1 LYS 289 HB2 -0.30 0.11 0.05 -0.04 1.87 1.69 2r9sB1 LYS 289 HB3 -0.14 -0.09 0.17 -0.04 1.79 1.68 2r9sB1 LYS 289 HG2 -0.07 -0.02 -0.04 -0.04 1.46 1.28 2r9sB1 LYS 289 HG3 -0.10 0.06 -0.08 -0.04 1.46 1.30 2r9sB1 LYS 289 HD2 -0.07 -0.03 0.01 -0.04 1.69 1.56 2r9sB1 LYS 289 HD3 -0.03 -0.05 -0.03 -0.04 1.68 1.54 2r9sB1 LYS 289 HE2 0.02 -0.01 -0.07 -0.04 2.99 2.88 2r9sB1 LYS 289 HE3 -0.13 0.16 0.09 -0.04 2.99 3.06 2r9sB1 LEU 290 H -0.19 0.43 -0.29 -0.55 8.37 7.77 2r9sB1 LEU 290 HA -0.18 0.15 0.92 -0.75 4.35 4.49 2r9sB1 LEU 290 HB2 -0.14 -0.04 0.06 -0.04 1.64 1.47 2r9sB1 LEU 290 HB3 -0.17 -0.05 0.04 -0.04 1.64 1.42 2r9sB1 LEU 290 HG -0.41 0.05 -0.00 -0.04 1.64 1.23 2r9sB1 LEU 290 HD13 -0.18 -0.02 -0.04 -0.04 0.93 0.66 2r9sB1 LEU 290 HD23 -0.51 0.01 -0.12 -0.04 0.89 0.23 2r9sB1 GLN 291 H -0.09 0.20 0.09 -0.55 8.47 8.13 2r9sB1 GLN 291 HA -0.05 0.12 0.51 -0.75 4.36 4.19 2r9sB1 GLN 291 HB2 -0.05 -0.12 0.08 -0.04 2.15 2.02 2r9sB1 GLN 291 HB3 -0.04 -0.02 0.09 -0.04 2.02 2.02 2r9sB1 GLN 291 HG2 -0.04 -0.00 0.09 -0.04 2.40 2.41 2r9sB1 GLN 291 HG3 -0.06 0.06 0.13 -0.04 2.39 2.48 2r9sB1 GLN 291 HE21 -0.03 -0.03 0.13 -0.04 6.97 6.99 2r9sB1 GLN 291 HE22 -0.05 0.14 0.08 -0.04 7.69 7.81 2r9sB1 PRO 292 HA -0.03 0.14 0.23 -0.51 4.44 4.27 2r9sB1 PRO 292 HB2 -0.01 -0.02 0.10 -0.04 2.28 2.31 2r9sB1 PRO 292 HB3 -0.01 0.05 0.10 -0.04 2.02 2.11 2r9sB1 PRO 292 HG2 -0.02 0.03 0.10 -0.04 2.03 2.10 2r9sB1 PRO 292 HG3 -0.02 0.09 0.12 -0.04 2.03 2.18 2r9sB1 PRO 292 HD2 -0.03 0.06 0.17 -0.04 3.68 3.85 2r9sB1 PRO 292 HD3 -0.03 0.18 0.25 -0.04 3.65 4.01 2r9sB1 THR 293 H -0.02 0.07 -0.30 -0.55 8.28 7.48 2r9sB1 THR 293 HA 0.00 0.06 0.27 -0.75 4.39 3.97 2r9sB1 THR 293 HB -0.02 -0.02 0.07 -0.04 4.32 4.31 2r9sB1 THR 293 HG23 -0.02 0.02 -0.15 -0.04 1.22 1.03 2r9sB1 VAL 294 H -0.03 0.10 -0.04 -0.55 8.24 7.73 2r9sB1 VAL 294 HA 0.03 0.02 0.39 -0.75 4.13 3.82 2r9sB1 VAL 294 HB -0.07 0.03 0.14 -0.04 2.12 2.18 2r9sB1 VAL 294 HG13 -0.14 0.07 -0.05 -0.04 0.97 0.81 2r9sB1 VAL 294 HG23 -0.05 0.02 0.05 -0.04 0.95 0.93 2r9sB1 ARG 295 H -0.04 0.59 -0.35 -0.55 8.46 8.10 2r9sB1 ARG 295 HA -0.06 0.02 0.24 -0.75 4.34 3.78 2r9sB1 ARG 295 HB2 -0.07 0.18 -0.06 -0.04 1.90 1.91 2r9sB1 ARG 295 HB3 -0.03 0.03 -0.07 -0.04 1.80 1.69 2r9sB1 ARG 295 HG2 -0.01 -0.05 -0.33 -0.04 1.67 1.24 2r9sB1 ARG 295 HG3 -0.03 -0.07 -0.07 -0.04 1.67 1.46 2r9sB1 ARG 295 HD2 -0.06 0.18 -0.10 -0.04 3.22 3.20 2r9sB1 ARG 295 HD3 -0.03 -0.05 -0.07 -0.04 3.22 3.03 2r9sB1 ASN 296 H 0.01 0.65 -0.03 -0.55 8.53 8.62 2r9sB1 ASN 296 HA 0.03 -0.03 0.33 -0.75 4.76 4.34 2r9sB1 ASN 296 HB2 0.02 0.01 0.10 -0.04 2.88 2.97 2r9sB1 ASN 296 HB3 0.05 0.09 0.14 -0.04 2.79 3.03 2r9sB1 ASN 296 HD21 0.03 -0.03 -0.04 -0.04 7.03 6.95 2r9sB1 ASN 296 HD22 0.02 -0.01 -0.02 -0.04 7.74 7.69 2r9sB1 TYR 297 H 0.15 0.42 -0.03 -0.55 8.29 8.28 2r9sB1 TYR 297 HA 0.03 -0.03 0.49 -0.75 4.56 4.29 2r9sB1 TYR 297 HB2 -0.01 -0.09 0.11 -0.04 3.06 3.03 2r9sB1 TYR 297 HB3 -0.05 0.40 0.21 -0.04 2.98 3.50 2r9sB1 TYR 297 HD2 -0.04 0.02 0.01 -0.04 7.15 7.11 2r9sB1 TYR 297 HE2 0.05 -0.02 -0.03 -0.04 6.85 6.80 2r9sB1 VAL 298 H 0.00 0.42 -0.29 -0.55 8.24 7.83 2r9sB1 VAL 298 HA -0.17 -0.00 0.18 -0.75 4.13 3.39 2r9sB1 VAL 298 HB -0.03 0.07 0.10 -0.04 2.12 2.22 2r9sB1 VAL 298 HG13 0.24 -0.02 -0.11 -0.04 0.97 1.03 2r9sB1 VAL 298 HG23 -0.32 0.04 -0.05 -0.04 0.95 0.58 2r9sB1 GLU 299 H 0.02 0.55 0.09 -0.55 8.60 8.71 2r9sB1 GLU 299 HA 0.06 0.09 0.41 -0.75 4.29 4.10 2r9sB1 GLU 299 HB2 0.03 -0.07 0.10 -0.04 2.09 2.11 2r9sB1 GLU 299 HB3 0.04 -0.06 0.05 -0.04 1.99 1.99 2r9sB1 GLU 299 HG2 0.02 0.42 0.05 -0.04 2.34 2.78 2r9sB1 GLU 299 HG3 0.02 0.01 -0.05 -0.04 2.34 2.29 2r9sB1 ASN 300 H 0.02 0.54 -0.40 -0.55 8.53 8.15 2r9sB1 ASN 300 HA 0.03 0.11 0.84 -0.75 4.76 4.98 2r9sB1 ASN 300 HB2 0.05 0.07 0.15 -0.04 2.88 3.11 2r9sB1 ASN 300 HB3 0.04 -0.11 0.14 -0.04 2.79 2.82 2r9sB1 ASN 300 HD21 0.03 -0.13 -0.03 -0.04 7.03 6.86 2r9sB1 ASN 300 HD22 0.05 -0.01 -0.10 -0.04 7.74 7.63 2r9sB1 ARG 301 H 0.03 0.18 -0.35 -0.55 8.46 7.76 2r9sB1 ARG 301 HA 0.04 0.08 0.70 -0.75 4.34 4.40 2r9sB1 ARG 301 HB2 0.01 0.24 0.02 -0.04 1.90 2.12 2r9sB1 ARG 301 HB3 0.06 0.01 0.08 -0.04 1.80 1.90 2r9sB1 ARG 301 HG2 0.02 -0.09 0.09 -0.04 1.67 1.64 2r9sB1 ARG 301 HG3 -0.20 0.48 -0.03 -0.04 1.67 1.88 2r9sB1 ARG 301 HD2 -0.30 -0.12 -0.05 -0.04 3.22 2.71 2r9sB1 ARG 301 HD3 -0.15 -0.00 -0.06 -0.04 3.22 2.97 2r9sB1 PRO 302 HA -0.05 0.02 0.61 -0.51 4.44 4.52 2r9sB1 PRO 302 HB2 0.24 -0.00 0.05 -0.04 2.28 2.53 2r9sB1 PRO 302 HB3 -0.13 0.03 0.03 -0.04 2.02 1.91 2r9sB1 PRO 302 HG2 0.13 0.00 0.06 -0.04 2.03 2.18 2r9sB1 PRO 302 HG3 0.04 0.03 0.03 -0.04 2.03 2.08 2r9sB1 PRO 302 HD2 0.09 0.11 0.19 -0.04 3.68 4.04 2r9sB1 PRO 302 HD3 0.06 0.16 0.02 -0.04 3.65 3.85 2r9sB1 LYS 303 H -0.07 0.12 0.13 -0.55 8.42 8.05 2r9sB1 LYS 303 HA 0.03 0.08 0.59 -0.75 4.32 4.27 2r9sB1 LYS 303 HB2 -0.03 0.02 0.15 -0.04 1.87 1.97 2r9sB1 LYS 303 HB3 -0.06 -0.05 0.04 -0.04 1.79 1.68 2r9sB1 LYS 303 HG2 0.02 0.04 0.05 -0.04 1.46 1.53 2r9sB1 LYS 303 HG3 0.01 0.02 0.02 -0.04 1.46 1.47 2r9sB1 LYS 303 HD2 0.01 -0.02 -0.03 -0.04 1.69 1.61 2r9sB1 LYS 303 HD3 -0.02 -0.05 -0.04 -0.04 1.68 1.53 2r9sB1 LYS 303 HE2 -0.00 0.06 -0.36 -0.04 2.99 2.65 2r9sB1 LYS 303 HE3 0.01 0.05 -0.11 -0.04 2.99 2.90 2r9sB1 TYR 304 H 0.15 0.16 0.18 -0.55 8.29 8.23 2r9sB1 TYR 304 HA -0.04 0.14 0.86 -0.75 4.56 4.76 2r9sB1 TYR 304 HB2 -0.11 -0.04 -0.09 -0.04 3.06 2.78 2r9sB1 TYR 304 HB3 -0.08 0.06 -0.04 -0.04 2.98 2.88 2r9sB1 TYR 304 HD2 -0.07 0.10 -0.06 -0.04 7.15 7.07 2r9sB1 TYR 304 HE2 -0.05 -0.01 -0.04 -0.04 6.85 6.72 2r9sB1 ALA 305 H 0.03 0.14 0.13 -0.55 8.40 8.15 2r9sB1 ALA 305 HA 0.02 0.13 0.79 -0.75 4.34 4.53 2r9sB1 ALA 305 HB3 0.01 -0.01 0.09 -0.04 1.41 1.45 2r9sB1 GLY 306 H 0.08 -0.07 -0.06 -0.55 8.43 7.83 2r9sB1 GLY 306 HA2 -0.02 0.21 -0.05 -0.51 4.01 3.64 2r9sB1 GLY 306 HA3 -0.02 0.16 -0.10 -0.51 4.01 3.54 2r9sB1 LEU 307 H -0.10 0.86 0.29 -0.55 8.37 8.86 2r9sB1 LEU 307 HA -0.04 0.06 0.92 -0.75 4.35 4.54 2r9sB1 LEU 307 HB2 -0.15 0.10 0.07 -0.04 1.64 1.62 2r9sB1 LEU 307 HB3 -0.08 -0.13 0.07 -0.04 1.64 1.46 2r9sB1 LEU 307 HG -0.05 -0.02 -0.32 -0.04 1.64 1.20 2r9sB1 LEU 307 HD13 -0.10 0.02 -0.04 -0.04 0.93 0.76 2r9sB1 LEU 307 HD23 -0.04 -0.02 -0.02 -0.04 0.89 0.77 2r9sB1 THR 308 H -0.01 0.03 0.14 -0.55 8.28 7.89 2r9sB1 THR 308 HA 0.08 0.22 0.66 -0.75 4.39 4.59 2r9sB1 THR 308 HB 0.10 -0.04 0.17 -0.04 4.32 4.51 2r9sB1 THR 308 HG23 0.05 0.03 0.06 -0.04 1.22 1.31 2r9sB1 PHE 309 H 0.35 0.14 0.17 -0.55 8.34 8.45 2r9sB1 PHE 309 HA 0.14 0.15 0.37 -0.75 4.62 4.53 2r9sB1 PHE 309 HB2 0.06 -0.02 0.13 -0.04 3.15 3.27 2r9sB1 PHE 309 HB3 0.12 0.02 0.02 -0.04 3.06 3.18 2r9sB1 PHE 309 HD2 0.11 -0.07 0.02 -0.04 7.28 7.31 2r9sB1 PHE 309 HE2 0.08 0.03 -0.06 -0.04 7.38 7.38 2r9sB1 PHE 309 HZ 0.07 0.22 0.08 -0.04 7.32 7.65 2r9sB1 PRO 310 HA 0.15 0.26 0.57 -0.51 4.44 4.91 2r9sB1 PRO 310 HB2 0.06 -0.02 -0.07 -0.04 2.28 2.21 2r9sB1 PRO 310 HB3 0.06 0.02 0.02 -0.04 2.02 2.08 2r9sB1 PRO 310 HG2 0.06 0.02 0.02 -0.04 2.03 2.09 2r9sB1 PRO 310 HG3 0.07 0.07 0.00 -0.04 2.03 2.14 2r9sB1 PRO 310 HD2 0.12 -0.02 0.00 -0.04 3.68 3.74 2r9sB1 PRO 310 HD3 0.18 0.11 0.09 -0.04 3.65 3.99 2r9sB1 LYS 311 H 0.03 0.06 -0.32 -0.55 8.42 7.64 2r9sB1 LYS 311 HA -0.01 0.05 0.57 -0.75 4.32 4.17 2r9sB1 LYS 311 HB2 -0.05 0.07 0.07 -0.04 1.87 1.92 2r9sB1 LYS 311 HB3 -0.05 0.04 0.01 -0.04 1.79 1.74 2r9sB1 LYS 311 HG2 -0.01 0.00 0.00 -0.04 1.46 1.42 2r9sB1 LYS 311 HG3 0.01 -0.09 -0.00 -0.04 1.46 1.33 2r9sB1 LYS 311 HD2 -0.00 -0.03 0.03 -0.04 1.69 1.64 2r9sB1 LYS 311 HD3 -0.02 -0.00 0.07 -0.04 1.68 1.68 2r9sB1 LYS 311 HE2 -0.03 0.06 0.01 -0.04 2.99 2.99 2r9sB1 LYS 311 HE3 -0.01 -0.02 0.01 -0.04 2.99 2.92 2r9sB1 LEU 312 H -0.09 0.44 -0.15 -0.55 8.37 8.03 2r9sB1 LEU 312 HA -0.36 0.03 0.44 -0.75 4.35 3.71 2r9sB1 LEU 312 HB2 -0.22 -0.02 0.08 -0.04 1.64 1.44 2r9sB1 LEU 312 HB3 -0.84 -0.03 -0.05 -0.04 1.64 0.68 2r9sB1 LEU 312 HG -0.31 0.03 -0.13 -0.04 1.64 1.19 2r9sB1 LEU 312 HD13 -0.85 0.00 -0.11 -0.04 0.93 -0.07 2r9sB1 LEU 312 HD23 -0.32 0.01 0.03 -0.04 0.89 0.58 2r9sB1 PHE 313 H 0.15 0.36 -0.39 -0.55 8.34 7.91 2r9sB1 PHE 313 HA -0.03 0.19 0.77 -0.75 4.62 4.80 2r9sB1 PHE 313 HB2 0.21 -0.03 0.15 -0.04 3.15 3.44 2r9sB1 PHE 313 HB3 0.11 -0.01 0.03 -0.04 3.06 3.15 2r9sB1 PHE 313 HD2 -0.02 0.07 -0.05 -0.04 7.28 7.24 2r9sB1 PHE 313 HE2 -0.08 0.03 0.01 -0.04 7.38 7.29 2r9sB1 PHE 313 HZ -0.14 -0.04 -0.02 -0.04 7.32 7.08 2r9sB1 PRO 314 HA 0.12 0.17 0.43 -0.51 4.44 4.65 2r9sB1 PRO 314 HB2 0.05 -0.14 -0.03 -0.04 2.28 2.13 2r9sB1 PRO 314 HB3 0.04 -0.06 0.13 -0.04 2.02 2.08 2r9sB1 PRO 314 HG2 -0.02 0.01 0.02 -0.04 2.03 1.99 2r9sB1 PRO 314 HG3 -0.02 0.10 0.04 -0.04 2.03 2.12 2r9sB1 PRO 314 HD2 -0.04 0.11 0.03 -0.04 3.68 3.74 2r9sB1 PRO 314 HD3 -0.09 0.34 -0.58 -0.04 3.65 3.28 2r9sB1 ASP 315 H 0.11 0.10 0.17 -0.55 8.40 8.24 2r9sB1 ASP 315 HA 0.26 0.12 0.58 -0.75 4.63 4.83 2r9sB1 ASP 315 HB2 0.07 -0.04 0.14 -0.04 2.71 2.85 2r9sB1 ASP 315 HB3 0.09 0.00 0.02 -0.04 2.70 2.77 2r9sB1 SER 316 H 0.08 0.03 -0.17 -0.55 8.46 7.85 2r9sB1 SER 316 HA 0.06 -0.01 0.33 -0.75 4.49 4.11 2r9sB1 SER 316 HB2 0.02 0.14 -0.14 -0.04 3.95 3.93 2r9sB1 SER 316 HB3 0.03 -0.03 0.06 -0.04 3.93 3.94 2r9sB1 LEU 317 H 0.08 0.34 -0.57 -0.55 8.37 7.67 2r9sB1 LEU 317 HA -0.05 0.08 0.49 -0.75 4.35 4.12 2r9sB1 LEU 317 HB2 -0.39 0.02 -0.06 -0.04 1.64 1.17 2r9sB1 LEU 317 HB3 -0.28 0.31 0.14 -0.04 1.64 1.76 2r9sB1 LEU 317 HG -0.02 -0.15 -0.07 -0.04 1.64 1.36 2r9sB1 LEU 317 HD13 -0.06 0.00 -0.08 -0.04 0.93 0.75 2r9sB1 LEU 317 HD23 -0.04 0.01 -0.07 -0.04 0.89 0.75 2r9sB1 PHE 318 H 0.26 0.42 -0.09 -0.55 8.34 8.39 2r9sB1 PHE 318 HA 0.01 0.21 0.91 -0.75 4.62 4.99 2r9sB1 PHE 318 HB2 0.08 -0.04 0.01 -0.04 3.15 3.17 2r9sB1 PHE 318 HB3 0.17 -0.01 0.07 -0.04 3.06 3.24 2r9sB1 PHE 318 HD2 0.13 0.00 0.01 -0.04 7.28 7.37 2r9sB1 PHE 318 HE2 0.05 0.12 -0.06 -0.04 7.38 7.44 2r9sB1 PHE 318 HZ -0.08 -0.04 -0.04 -0.04 7.32 7.12 2r9sB1 PRO 319 HA 0.11 0.06 0.65 -0.51 4.44 4.75 2r9sB1 PRO 319 HB2 0.20 -0.12 0.08 -0.04 2.28 2.41 2r9sB1 PRO 319 HB3 0.12 0.02 0.13 -0.04 2.02 2.25 2r9sB1 PRO 319 HG2 0.11 -0.14 0.15 -0.04 2.03 2.11 2r9sB1 PRO 319 HG3 0.06 0.18 0.17 -0.04 2.03 2.39 2r9sB1 PRO 319 HD2 0.20 0.01 0.20 -0.04 3.68 4.06 2r9sB1 PRO 319 HD3 0.00 0.28 0.19 -0.04 3.65 4.08 2r9sB1 ALA 320 H 0.09 0.14 0.18 -0.55 8.40 8.26 2r9sB1 ALA 320 HA 0.08 0.16 0.87 -0.75 4.34 4.70 2r9sB1 ALA 320 HB3 0.07 0.01 0.06 -0.04 1.41 1.51 2r9sB1 ASP 321 H 0.04 0.13 0.13 -0.55 8.40 8.16 2r9sB1 ASP 321 HA 0.03 0.00 0.32 -0.75 4.63 4.23 2r9sB1 ASP 321 HB2 0.04 0.18 -0.18 -0.04 2.71 2.71 2r9sB1 ASP 321 HB3 0.03 -0.01 0.18 -0.04 2.70 2.86 2r9sB1 SER 322 H 0.04 0.17 -0.15 -0.55 8.46 7.98 2r9sB1 SER 322 HA 0.03 0.11 0.21 -0.75 4.49 4.09 2r9sB1 SER 322 HB2 0.05 0.03 0.21 -0.04 3.95 4.19 2r9sB1 SER 322 HB3 0.05 0.25 -0.02 -0.04 3.93 4.17 2r9sB1 GLU 323 H 0.03 0.24 0.12 -0.55 8.60 8.44 2r9sB1 GLU 323 HA 0.00 0.07 0.37 -0.75 4.29 3.98 2r9sB1 GLU 323 HB2 0.02 0.01 0.09 -0.04 2.09 2.17 2r9sB1 GLU 323 HB3 0.01 0.07 0.03 -0.04 1.99 2.06 2r9sB1 GLU 323 HG2 0.01 -0.02 0.09 -0.04 2.34 2.38 2r9sB1 GLU 323 HG3 0.00 0.07 0.04 -0.04 2.34 2.41 2r9sB1 HIS 324 H 0.12 0.11 -0.12 -0.55 8.41 7.97 2r9sB1 HIS 324 HA -0.04 0.13 0.52 -0.75 4.63 4.49 2r9sB1 HIS 324 HB2 -0.02 0.02 0.09 -0.04 3.26 3.32 2r9sB1 HIS 324 HB3 0.00 -0.02 0.05 -0.04 3.20 3.19 2r9sB1 HIS 324 HD2 0.04 0.00 -0.10 -0.04 6.97 6.87 2r9sB1 HIS 324 HE1 -0.08 0.07 -0.02 -0.04 7.75 7.67 2r9sB1 ASN 325 H 0.06 0.14 -0.31 -0.55 8.53 7.88 2r9sB1 ASN 325 HA -0.08 0.04 0.20 -0.75 4.76 4.16 2r9sB1 ASN 325 HB2 0.08 -0.06 -0.00 -0.04 2.88 2.85 2r9sB1 ASN 325 HB3 0.11 0.47 -0.16 -0.04 2.79 3.16 2r9sB1 ASN 325 HD21 0.14 -0.00 -0.05 -0.04 7.03 7.07 2r9sB1 ASN 325 HD22 0.11 0.16 -0.21 -0.04 7.74 7.75 2r9sB1 LYS 326 H -0.01 0.46 0.06 -0.55 8.42 8.37 2r9sB1 LYS 326 HA -0.07 0.13 0.63 -0.75 4.32 4.26 2r9sB1 LYS 326 HB2 -0.03 0.00 0.09 -0.04 1.87 1.89 2r9sB1 LYS 326 HB3 -0.04 0.02 0.01 -0.04 1.79 1.74 2r9sB1 LYS 326 HG2 -0.00 0.06 0.07 -0.04 1.46 1.55 2r9sB1 LYS 326 HG3 0.01 -0.05 0.00 -0.04 1.46 1.38 2r9sB1 LYS 326 HD2 -0.01 0.05 0.01 -0.04 1.69 1.69 2r9sB1 LYS 326 HD3 0.01 -0.02 0.02 -0.04 1.68 1.64 2r9sB1 LYS 326 HE2 0.00 -0.07 -0.11 -0.04 2.99 2.77 2r9sB1 LYS 326 HE3 -0.01 0.04 -0.03 -0.04 2.99 2.94 2r9sB1 LEU 327 H -0.09 0.48 -0.21 -0.55 8.37 8.00 2r9sB1 LEU 327 HA -0.09 0.00 0.50 -0.75 4.35 4.01 2r9sB1 LEU 327 HB2 -0.07 -0.02 0.16 -0.04 1.64 1.67 2r9sB1 LEU 327 HB3 -0.14 0.18 0.22 -0.04 1.64 1.87 2r9sB1 LEU 327 HG -0.11 0.00 -0.20 -0.04 1.64 1.30 2r9sB1 LEU 327 HD13 -0.06 -0.02 0.04 -0.04 0.93 0.85 2r9sB1 LEU 327 HD23 -0.05 -0.01 -0.01 -0.04 0.89 0.78 2r9sB1 LYS 328 H -0.31 0.40 -0.19 -0.55 8.42 7.77 2r9sB1 LYS 328 HA -0.16 0.02 0.49 -0.75 4.32 3.92 2r9sB1 LYS 328 HB2 -1.03 0.09 0.09 -0.04 1.87 0.98 2r9sB1 LYS 328 HB3 -0.93 -0.03 0.03 -0.04 1.79 0.82 2r9sB1 LYS 328 HG2 -0.60 0.09 0.03 -0.04 1.46 0.93 2r9sB1 LYS 328 HG3 -0.80 -0.09 -0.05 -0.04 1.46 0.48 2r9sB1 LYS 328 HD2 -0.22 -0.03 -0.04 -0.04 1.69 1.36 2r9sB1 LYS 328 HD3 -0.19 -0.01 0.02 -0.04 1.68 1.46 2r9sB1 LYS 328 HE2 -0.25 -0.03 -0.06 -0.04 2.99 2.62 2r9sB1 LYS 328 HE3 -0.13 -0.03 -0.03 -0.04 2.99 2.76 2r9sB1 ALA 329 H -0.26 0.64 -0.01 -0.55 8.40 8.23 2r9sB1 ALA 329 HA -0.77 0.05 0.56 -0.75 4.34 3.42 2r9sB1 ALA 329 HB3 -0.41 0.06 0.17 -0.04 1.41 1.19 2r9sB1 SER 330 H -0.19 0.44 -0.22 -0.55 8.46 7.94 2r9sB1 SER 330 HA -0.18 0.08 0.31 -0.75 4.49 3.95 2r9sB1 SER 330 HB2 -0.07 -0.05 0.02 -0.04 3.95 3.81 2r9sB1 SER 330 HB3 -0.10 -0.02 0.05 -0.04 3.93 3.82 2r9sB1 GLN 331 H -0.08 0.47 -0.08 -0.55 8.47 8.23 2r9sB1 GLN 331 HA 0.06 0.00 0.57 -0.75 4.36 4.24 2r9sB1 GLN 331 HB2 0.22 0.07 0.11 -0.04 2.15 2.52 2r9sB1 GLN 331 HB3 0.25 -0.15 0.00 -0.04 2.02 2.08 2r9sB1 GLN 331 HG2 -0.01 -0.08 0.01 -0.04 2.40 2.29 2r9sB1 GLN 331 HG3 -0.03 0.35 0.13 -0.04 2.39 2.79 2r9sB1 GLN 331 HE21 -0.05 0.03 -0.09 -0.04 6.97 6.82 2r9sB1 GLN 331 HE22 -0.05 -0.03 -0.05 -0.04 7.69 7.52 2r9sB1 ALA 332 H -0.21 0.63 -0.06 -0.55 8.40 8.21 2r9sB1 ALA 332 HA -0.81 -0.03 0.49 -0.75 4.34 3.24 2r9sB1 ALA 332 HB3 -0.18 0.06 0.12 -0.04 1.41 1.37 2r9sB1 ARG 333 H -0.20 0.53 -0.09 -0.55 8.46 8.16 2r9sB1 ARG 333 HA -0.13 0.01 0.30 -0.75 4.34 3.77 2r9sB1 ARG 333 HB2 -0.10 0.05 0.11 -0.04 1.90 1.91 2r9sB1 ARG 333 HB3 0.01 -0.09 -0.14 -0.04 1.80 1.53 2r9sB1 ARG 333 HG2 0.18 0.04 -0.04 -0.04 1.67 1.80 2r9sB1 ARG 333 HG3 -0.03 0.08 0.03 -0.04 1.67 1.71 2r9sB1 ARG 333 HD2 -0.04 -0.09 -0.09 -0.04 3.22 2.95 2r9sB1 ARG 333 HD3 0.13 -0.13 -0.25 -0.04 3.22 2.93 2r9sB1 ASP 334 H -0.08 0.79 -0.05 -0.55 8.40 8.50 2r9sB1 ASP 334 HA -0.10 -0.01 0.58 -0.75 4.63 4.34 2r9sB1 ASP 334 HB2 0.00 0.06 0.16 -0.04 2.71 2.89 2r9sB1 ASP 334 HB3 0.14 0.03 0.22 -0.04 2.70 3.05 2r9sB1 LEU 335 H -0.18 0.70 0.01 -0.55 8.37 8.35 2r9sB1 LEU 335 HA -0.49 -0.05 0.45 -0.75 4.35 3.51 2r9sB1 LEU 335 HB2 -0.81 -0.08 0.14 -0.04 1.64 0.84 2r9sB1 LEU 335 HB3 -0.37 0.15 0.19 -0.04 1.64 1.58 2r9sB1 LEU 335 HG -0.24 0.01 -0.21 -0.04 1.64 1.16 2r9sB1 LEU 335 HD13 -0.37 -0.03 0.04 -0.04 0.93 0.54 2r9sB1 LEU 335 HD23 -0.04 -0.01 -0.06 -0.04 0.89 0.74 2r9sB1 LEU 336 H -0.28 0.74 -0.00 -0.55 8.37 8.28 2r9sB1 LEU 336 HA -0.20 -0.03 0.48 -0.75 4.35 3.85 2r9sB1 LEU 336 HB2 -0.24 0.08 0.09 -0.04 1.64 1.53 2r9sB1 LEU 336 HB3 -0.07 -0.00 -0.04 -0.04 1.64 1.49 2r9sB1 LEU 336 HG -0.33 -0.00 -0.03 -0.04 1.64 1.23 2r9sB1 LEU 336 HD13 -0.97 0.00 -0.16 -0.04 0.93 -0.24 2r9sB1 LEU 336 HD23 -0.28 -0.03 0.01 -0.04 0.89 0.55 2r9sB1 SER 337 H -0.47 0.53 -0.25 -0.55 8.46 7.73 2r9sB1 SER 337 HA -1.76 0.09 0.47 -0.75 4.49 2.54 2r9sB1 SER 337 HB2 -1.11 -0.08 0.15 -0.04 3.95 2.87 2r9sB1 SER 337 HB3 -1.06 0.08 0.18 -0.04 3.93 3.09 2r9sB1 LYS 338 H -0.25 0.37 -0.39 -0.55 8.42 7.59 2r9sB1 LYS 338 HA -0.08 0.16 0.76 -0.75 4.32 4.41 2r9sB1 LYS 338 HB2 -0.13 0.12 0.08 -0.04 1.87 1.91 2r9sB1 LYS 338 HB3 -0.03 -0.16 0.06 -0.04 1.79 1.62 2r9sB1 LYS 338 HG2 -0.04 -0.01 -0.01 -0.04 1.46 1.36 2r9sB1 LYS 338 HG3 -0.11 0.13 -0.09 -0.04 1.46 1.35 2r9sB1 LYS 338 HD2 0.01 0.01 -0.11 -0.04 1.69 1.55 2r9sB1 LYS 338 HD3 0.04 -0.08 -0.04 -0.04 1.68 1.56 2r9sB1 LYS 338 HE2 0.09 -0.06 -0.05 -0.04 2.99 2.93 2r9sB1 LYS 338 HE3 0.02 -0.01 -0.03 -0.04 2.99 2.92 2r9sB1 MET 339 H -0.13 0.31 -0.06 -0.55 8.47 8.04 2r9sB1 MET 339 HA 0.02 0.06 0.78 -0.75 4.52 4.63 2r9sB1 MET 339 HB2 -0.11 0.05 0.17 -0.04 2.15 2.22 2r9sB1 MET 339 HB3 -0.07 0.06 0.05 -0.04 2.03 2.03 2r9sB1 MET 339 HG2 -0.02 -0.05 -0.01 -0.04 2.63 2.51 2r9sB1 MET 339 HG3 -0.10 0.07 -0.03 -0.04 2.56 2.47 2r9sB1 MET 339 HE3 -0.01 -0.02 -0.05 -0.04 2.10 1.99 2r9sB1 LEU 340 H -0.04 0.72 0.05 -0.55 8.37 8.55 2r9sB1 LEU 340 HA -0.42 0.05 0.44 -0.75 4.35 3.67 2r9sB1 LEU 340 HB2 0.34 0.11 0.18 -0.04 1.64 2.22 2r9sB1 LEU 340 HB3 0.04 -0.03 0.06 -0.04 1.64 1.66 2r9sB1 LEU 340 HG -0.08 0.01 0.04 -0.04 1.64 1.57 2r9sB1 LEU 340 HD13 0.17 0.00 -0.06 -0.04 0.93 1.01 2r9sB1 LEU 340 HD23 -0.64 -0.01 -0.29 -0.04 0.89 -0.09 2r9sB1 VAL 341 H 0.41 0.59 -0.10 -0.55 8.24 8.59 2r9sB1 VAL 341 HA 0.24 0.11 0.72 -0.75 4.13 4.45 2r9sB1 VAL 341 HB 0.17 0.01 -0.16 -0.04 2.12 2.09 2r9sB1 VAL 341 HG13 0.10 -0.02 -0.27 -0.04 0.97 0.74 2r9sB1 VAL 341 HG23 0.07 -0.01 -0.42 -0.04 0.95 0.55 2r9sB1 ILE 342 H 0.14 0.21 0.03 -0.55 8.25 8.08 2r9sB1 ILE 342 HA -0.29 0.06 0.36 -0.75 4.18 3.57 2r9sB1 ILE 342 HB -0.18 -0.05 0.09 -0.04 1.89 1.71 2r9sB1 ILE 342 HG12 -0.19 -0.03 -0.03 -0.04 1.49 1.20 2r9sB1 ILE 342 HG13 0.06 0.04 -0.05 -0.04 1.21 1.21 2r9sB1 ILE 342 HG23 -0.57 -0.01 -0.16 -0.04 0.93 0.15 2r9sB1 ILE 342 HD13 -0.23 0.01 -0.10 -0.04 0.88 0.52 2r9sB1 ASP 343 H -0.08 0.07 -0.11 -0.55 8.40 7.74 2r9sB1 ASP 343 HA 0.07 0.18 0.54 -0.75 4.63 4.67 2r9sB1 ASP 343 HB2 0.00 -0.00 0.07 -0.04 2.71 2.74 2r9sB1 ASP 343 HB3 0.06 0.01 0.09 -0.04 2.70 2.82 2r9sB1 PRO 344 HA 0.11 0.18 0.36 -0.51 4.44 4.57 2r9sB1 PRO 344 HB2 0.08 -0.01 -0.06 -0.04 2.28 2.26 2r9sB1 PRO 344 HB3 0.10 0.00 0.07 -0.04 2.02 2.15 2r9sB1 PRO 344 HG2 0.10 0.01 0.04 -0.04 2.03 2.15 2r9sB1 PRO 344 HG3 0.10 0.05 0.08 -0.04 2.03 2.21 2r9sB1 PRO 344 HD2 0.29 0.05 0.23 -0.04 3.68 4.21 2r9sB1 PRO 344 HD3 0.13 0.31 0.28 -0.04 3.65 4.34 2r9sB1 ALA 345 H 0.10 0.09 -0.36 -0.55 8.40 7.68 2r9sB1 ALA 345 HA 0.06 0.09 0.34 -0.75 4.34 4.07 2r9sB1 ALA 345 HB3 0.06 -0.00 -0.01 -0.04 1.41 1.42 2r9sB1 LYS 346 H 0.08 0.37 -0.51 -0.55 8.42 7.81 2r9sB1 LYS 346 HA 0.05 0.18 0.87 -0.75 4.32 4.66 2r9sB1 LYS 346 HB2 0.07 0.06 0.00 -0.04 1.87 1.96 2r9sB1 LYS 346 HB3 0.05 0.02 0.10 -0.04 1.79 1.92 2r9sB1 LYS 346 HG2 0.07 -0.13 -0.25 -0.04 1.46 1.10 2r9sB1 LYS 346 HG3 0.06 -0.04 -0.04 -0.04 1.46 1.40 2r9sB1 LYS 346 HD2 0.04 0.02 -0.00 -0.04 1.69 1.71 2r9sB1 LYS 346 HD3 0.05 0.12 -0.10 -0.04 1.68 1.70 2r9sB1 LYS 346 HE2 0.06 -0.07 -0.08 -0.04 2.99 2.86 2r9sB1 LYS 346 HE3 0.05 -0.00 -0.03 -0.04 2.99 2.96 2r9sB1 ARG 347 H 0.08 0.21 -0.18 -0.55 8.46 8.02 2r9sB1 ARG 347 HA 0.08 0.18 0.52 -0.75 4.34 4.36 2r9sB1 ARG 347 HB2 0.14 0.00 -0.04 -0.04 1.90 1.96 2r9sB1 ARG 347 HB3 0.12 -0.05 0.10 -0.04 1.80 1.93 2r9sB1 ARG 347 HG2 0.12 0.08 0.00 -0.04 1.67 1.83 2r9sB1 ARG 347 HG3 0.17 0.08 0.00 -0.04 1.67 1.88 2r9sB1 ARG 347 HD2 0.19 -0.09 0.02 -0.04 3.22 3.30 2r9sB1 ARG 347 HD3 0.29 -0.02 0.01 -0.04 3.22 3.45 2r9sB1 ILE 348 H 0.04 0.61 0.28 -0.55 8.25 8.64 2r9sB1 ILE 348 HA 0.05 -0.05 0.26 -0.75 4.18 3.68 2r9sB1 ILE 348 HB 0.02 0.05 0.10 -0.04 1.89 2.01 2r9sB1 ILE 348 HG12 0.05 0.06 -0.09 -0.04 1.49 1.46 2r9sB1 ILE 348 HG13 0.05 -0.09 0.02 -0.04 1.21 1.14 2r9sB1 ILE 348 HG23 0.01 0.08 -0.16 -0.04 0.93 0.82 2r9sB1 ILE 348 HD13 0.05 0.01 -0.20 -0.04 0.88 0.70 2r9sB1 SER 349 H 0.05 0.03 0.15 -0.55 8.46 8.14 2r9sB1 SER 349 HA 0.08 0.17 0.64 -0.75 4.49 4.62 2r9sB1 SER 349 HB2 0.06 -0.09 0.19 -0.04 3.95 4.07 2r9sB1 SER 349 HB3 0.05 0.15 0.14 -0.04 3.93 4.23 2r9sB1 VAL 350 H 0.09 0.13 0.13 -0.55 8.24 8.05 2r9sB1 VAL 350 HA 0.05 0.16 0.58 -0.75 4.13 4.17 2r9sB1 VAL 350 HB 0.09 -0.06 0.15 -0.04 2.12 2.26 2r9sB1 VAL 350 HG13 -0.02 0.02 -0.06 -0.04 0.97 0.88 2r9sB1 VAL 350 HG23 0.07 0.01 -0.01 -0.04 0.95 0.98 2r9sB1 ASP 351 H 0.06 0.07 -0.01 -0.55 8.40 7.97 2r9sB1 ASP 351 HA 0.04 0.14 0.33 -0.75 4.63 4.39 2r9sB1 ASP 351 HB2 0.04 -0.08 0.08 -0.04 2.71 2.70 2r9sB1 ASP 351 HB3 0.03 0.07 -0.05 -0.04 2.70 2.71 2r9sB1 ASP 352 H 0.05 -0.02 -0.26 -0.55 8.40 7.62 2r9sB1 ASP 352 HA 0.05 0.09 0.46 -0.75 4.63 4.48 2r9sB1 ASP 352 HB2 0.05 -0.09 0.08 -0.04 2.71 2.71 2r9sB1 ASP 352 HB3 0.06 0.09 -0.05 -0.04 2.70 2.76 2r9sB1 ALA 353 H 0.06 0.51 -0.20 -0.55 8.40 8.23 2r9sB1 ALA 353 HA 0.08 -0.00 0.38 -0.75 4.34 4.04 2r9sB1 ALA 353 HB3 0.04 0.03 0.07 -0.04 1.41 1.50 2r9sB1 LEU 354 H 0.08 0.44 -0.29 -0.55 8.37 8.06 2r9sB1 LEU 354 HA 0.19 0.05 0.40 -0.75 4.35 4.23 2r9sB1 LEU 354 HB2 0.08 0.14 0.13 -0.04 1.64 1.95 2r9sB1 LEU 354 HB3 0.15 -0.04 -0.02 -0.04 1.64 1.69 2r9sB1 LEU 354 HG 0.04 0.03 0.03 -0.04 1.64 1.70 2r9sB1 LEU 354 HD13 0.03 -0.02 -0.06 -0.04 0.93 0.84 2r9sB1 LEU 354 HD23 0.08 -0.00 0.02 -0.04 0.89 0.95 2r9sB1 GLN 355 H 0.09 0.38 -0.20 -0.55 8.47 8.19 2r9sB1 GLN 355 HA 0.06 0.05 0.62 -0.75 4.36 4.33 2r9sB1 GLN 355 HB2 0.05 0.08 0.13 -0.04 2.15 2.37 2r9sB1 GLN 355 HB3 0.02 -0.08 0.09 -0.04 2.02 2.01 2r9sB1 GLN 355 HG2 -0.03 -0.03 0.02 -0.04 2.40 2.32 2r9sB1 GLN 355 HG3 0.00 0.01 -0.05 -0.04 2.39 2.31 2r9sB1 GLN 355 HE21 -0.01 -0.07 -0.07 -0.04 6.97 6.79 2r9sB1 GLN 355 HE22 -0.03 0.02 -0.05 -0.04 7.69 7.59 2r9sB1 HIS 356 H 0.20 0.32 -0.56 -0.55 8.41 7.83 2r9sB1 HIS 356 HA 0.04 0.09 0.47 -0.75 4.63 4.47 2r9sB1 HIS 356 HB2 0.05 0.07 0.15 -0.04 3.26 3.49 2r9sB1 HIS 356 HB3 0.10 0.04 0.17 -0.04 3.20 3.47 2r9sB1 HIS 356 HD2 0.00 0.02 -0.03 -0.04 6.97 6.92 2r9sB1 HIS 356 HE1 0.00 0.13 0.12 -0.04 7.75 7.96 2r9sB1 PRO 357 HA -0.05 0.08 0.42 -0.51 4.44 4.38 2r9sB1 PRO 357 HB2 -0.09 0.02 -0.01 -0.04 2.28 2.16 2r9sB1 PRO 357 HB3 -0.11 0.03 0.10 -0.04 2.02 2.01 2r9sB1 PRO 357 HG2 -0.53 0.02 0.10 -0.04 2.03 1.58 2r9sB1 PRO 357 HG3 -0.23 0.05 0.09 -0.04 2.03 1.89 2r9sB1 PRO 357 HD2 -1.00 0.08 0.25 -0.04 3.68 2.96 2r9sB1 PRO 357 HD3 -0.24 0.22 0.21 -0.04 3.65 3.79 2r9sB1 TYR 358 H 0.53 0.11 -0.29 -0.55 8.29 8.09 2r9sB1 TYR 358 HA 0.06 0.06 0.35 -0.75 4.56 4.28 2r9sB1 TYR 358 HB2 0.19 -0.05 -0.15 -0.04 3.06 3.01 2r9sB1 TYR 358 HB3 0.19 0.05 -0.05 -0.04 2.98 3.13 2r9sB1 TYR 358 HD2 0.05 -0.02 -0.08 -0.04 7.15 7.06 2r9sB1 TYR 358 HE2 0.12 -0.01 -0.06 -0.04 6.85 6.87 2r9sB1 ILE 359 H 0.27 0.36 -0.33 -0.55 8.25 8.00 2r9sB1 ILE 359 HA 0.28 0.11 0.56 -0.75 4.18 4.37 2r9sB1 ILE 359 HB 0.26 0.17 0.13 -0.04 1.89 2.41 2r9sB1 ILE 359 HG12 0.28 -0.11 -0.07 -0.04 1.49 1.54 2r9sB1 ILE 359 HG13 0.20 0.01 -0.11 -0.04 1.21 1.27 2r9sB1 ILE 359 HG23 0.37 -0.02 -0.07 -0.04 0.93 1.18 2r9sB1 ILE 359 HD13 0.31 0.01 -0.17 -0.04 0.88 0.99 2r9sB1 ASN 360 H 0.11 0.66 0.02 -0.55 8.53 8.78 2r9sB1 ASN 360 HA 0.16 0.07 0.20 -0.75 4.76 4.44 2r9sB1 ASN 360 HB2 0.08 -0.08 0.11 -0.04 2.88 2.94 2r9sB1 ASN 360 HB3 0.08 0.07 -0.09 -0.04 2.79 2.82 2r9sB1 ASN 360 HD21 -0.03 -0.12 -0.11 -0.04 7.03 6.73 2r9sB1 ASN 360 HD22 0.00 0.41 -0.28 -0.04 7.74 7.83 2r9sB1 VAL 361 H -0.10 0.18 -0.56 -0.55 8.24 7.21 2r9sB1 VAL 361 HA -0.20 0.02 0.46 -0.75 4.13 3.66 2r9sB1 VAL 361 HB -0.46 -0.06 0.08 -0.04 2.12 1.64 2r9sB1 VAL 361 HG13 -0.18 0.00 -0.04 -0.04 0.97 0.71 2r9sB1 VAL 361 HG23 -0.93 0.02 -0.20 -0.04 0.95 -0.21 2r9sB1 TRP 362 H -0.06 0.32 -0.37 -0.55 7.97 7.31 2r9sB1 TRP 362 HA -0.22 0.17 0.83 -0.75 4.62 4.65 2r9sB1 TRP 362 HB2 -1.36 0.05 0.01 -0.04 3.23 1.89 2r9sB1 TRP 362 HB3 -0.80 -0.06 0.06 -0.04 3.23 2.39 2r9sB1 TRP 362 HD1 -0.12 0.22 0.01 -0.04 7.22 7.29 2r9sB1 TRP 362 HE1 -0.02 -0.08 -0.23 -0.04 10.20 9.83 2r9sB1 TRP 362 HE3 -0.12 0.00 0.01 -0.04 7.59 7.45 2r9sB1 TRP 362 HZ2 -0.04 0.06 0.05 -0.04 7.44 7.47 2r9sB1 TRP 362 HZ3 -0.28 -0.03 -0.01 -0.04 7.13 6.78 2r9sB1 TRP 362 HH2 -0.26 -0.06 -0.03 -0.04 7.19 6.79 2r9sB1 TYR 363 H 0.14 0.24 -0.04 -0.55 8.29 8.07 2r9sB1 TYR 363 HA 0.20 -0.04 0.46 -0.75 4.56 4.43 2r9sB1 TYR 363 HB2 0.15 -0.00 0.10 -0.04 3.06 3.27 2r9sB1 TYR 363 HB3 0.06 0.12 0.13 -0.04 2.98 3.24 2r9sB1 TYR 363 HD2 0.09 0.01 -0.05 -0.04 7.15 7.16 2r9sB1 TYR 363 HE2 0.05 -0.02 -0.05 -0.04 6.85 6.79 2r9sB1 ASP 364 H -0.14 0.13 0.11 -0.55 8.40 7.96 2r9sB1 ASP 364 HA -0.46 -0.00 0.17 -0.75 4.63 3.58 2r9sB1 ASP 364 HB2 -2.01 -0.06 -0.34 -0.04 2.71 0.25 2r9sB1 ASP 364 HB3 -0.47 0.21 0.09 -0.04 2.70 2.49 2r9sB1 LYS 378 HA 0.03 -0.07 0.12 -0.75 4.32 3.65 2r9sB1 LYS 378 HB2 0.02 -0.05 0.11 -0.04 1.87 1.91 2r9sB1 LYS 378 HB3 0.02 -0.01 0.06 -0.04 1.79 1.82 2r9sB1 LYS 378 HG2 0.02 0.04 -0.05 -0.04 1.46 1.43 2r9sB1 LYS 378 HG3 0.04 -0.01 -0.21 -0.04 1.46 1.23 2r9sB1 LYS 378 HD2 0.02 0.01 -0.03 -0.04 1.69 1.65 2r9sB1 LYS 378 HD3 0.02 -0.04 0.01 -0.04 1.68 1.62 2r9sB1 LYS 378 HE2 0.01 -0.01 0.00 -0.04 2.99 2.96 2r9sB1 LYS 378 HE3 0.01 0.05 -0.01 -0.04 2.99 3.00 2r9sB1 GLN 379 H 0.06 0.28 0.09 -0.55 8.47 8.35 2r9sB1 GLN 379 HA 0.12 0.14 0.92 -0.75 4.36 4.79 2r9sB1 GLN 379 HB2 0.12 0.03 -0.11 -0.04 2.15 2.15 2r9sB1 GLN 379 HB3 0.24 -0.03 -0.01 -0.04 2.02 2.18 2r9sB1 GLN 379 HG2 0.04 -0.00 -0.12 -0.04 2.40 2.28 2r9sB1 GLN 379 HG3 0.01 0.05 -0.06 -0.04 2.39 2.35 2r9sB1 GLN 379 HE21 0.01 0.01 -0.05 -0.04 6.97 6.91 2r9sB1 GLN 379 HE22 -0.03 0.04 -0.05 -0.04 7.69 7.60 2r9sB1 LEU 380 H 0.19 0.13 0.09 -0.55 8.37 8.23 2r9sB1 LEU 380 HA 0.11 -0.06 0.11 -0.75 4.35 3.75 2r9sB1 LEU 380 HB2 0.18 0.10 0.01 -0.04 1.64 1.88 2r9sB1 LEU 380 HB3 0.10 -0.12 0.02 -0.04 1.64 1.59 2r9sB1 LEU 380 HG 0.15 -0.03 -0.02 -0.04 1.64 1.70 2r9sB1 LEU 380 HD13 0.00 0.00 0.06 -0.04 0.93 0.95 2r9sB1 LEU 380 HD23 -0.28 0.01 0.02 -0.04 0.89 0.60 2r9sB1 ASP 381 H 0.10 0.11 0.24 -0.55 8.40 8.31 2r9sB1 ASP 381 HA 0.16 0.21 0.83 -0.75 4.63 5.07 2r9sB1 ASP 381 HB2 0.08 0.09 0.13 -0.04 2.71 2.97 2r9sB1 ASP 381 HB3 0.07 -0.05 0.06 -0.04 2.70 2.75 2r9sB1 GLU 382 H 0.07 -0.03 0.09 -0.55 8.60 8.17 2r9sB1 GLU 382 HA 0.05 0.14 0.50 -0.75 4.29 4.23 2r9sB1 GLU 382 HB2 0.01 -0.00 0.04 -0.04 2.09 2.10 2r9sB1 GLU 382 HB3 0.02 0.03 0.11 -0.04 1.99 2.11 2r9sB1 GLU 382 HG2 0.03 -0.01 0.13 -0.04 2.34 2.45 2r9sB1 GLU 382 HG3 0.01 -0.32 0.18 -0.04 2.34 2.16 2r9sB1 ARG 383 H 0.01 -0.03 -0.06 -0.55 8.46 7.83 2r9sB1 ARG 383 HA -0.07 -0.01 -0.03 -0.75 4.34 3.47 2r9sB1 ARG 383 HB2 -0.12 -0.07 0.07 -0.04 1.90 1.74 2r9sB1 ARG 383 HB3 -0.57 0.16 -0.11 -0.04 1.80 1.25 2r9sB1 ARG 383 HG2 -0.14 -0.03 0.06 -0.04 1.67 1.52 2r9sB1 ARG 383 HG3 -0.08 -0.04 0.04 -0.04 1.67 1.55 2r9sB1 ARG 383 HD2 -0.11 -0.03 0.02 -0.04 3.22 3.06 2r9sB1 ARG 383 HD3 -0.14 -0.02 0.01 -0.04 3.22 3.02 2r9sB1 GLU 384 H -0.13 0.05 0.12 -0.55 8.60 8.09 2r9sB1 GLU 384 HA 0.10 0.21 0.87 -0.75 4.29 4.72 2r9sB1 GLU 384 HB2 -0.05 -0.02 0.12 -0.04 2.09 2.10 2r9sB1 GLU 384 HB3 -0.01 -0.02 -0.01 -0.04 1.99 1.90 2r9sB1 GLU 384 HG2 0.16 0.00 0.13 -0.04 2.34 2.60 2r9sB1 GLU 384 HG3 0.07 0.09 0.02 -0.04 2.34 2.48 2r9sB1 HIS 385 H 0.14 0.25 0.17 -0.55 8.41 8.43 2r9sB1 HIS 385 HA -0.29 0.12 0.70 -0.75 4.63 4.41 2r9sB1 HIS 385 HB2 -2.38 0.03 -0.05 -0.04 3.26 0.82 2r9sB1 HIS 385 HB3 -0.86 -0.10 0.04 -0.04 3.20 2.24 2r9sB1 HIS 385 HD2 -1.93 0.10 -0.24 -0.04 6.97 4.85 2r9sB1 HIS 385 HE1 -0.29 -0.01 -0.05 -0.04 7.75 7.36 2r9sB1 THR 386 H -0.06 0.12 0.15 -0.55 8.28 7.94 2r9sB1 THR 386 HA 0.07 0.17 0.68 -0.75 4.39 4.56 2r9sB1 THR 386 HB 0.02 -0.00 0.18 -0.04 4.32 4.48 2r9sB1 THR 386 HG23 -0.02 0.05 0.07 -0.04 1.22 1.28 2r9sB1 ILE 387 H 0.10 0.19 0.16 -0.55 8.25 8.16 2r9sB1 ILE 387 HA 0.35 0.13 0.36 -0.75 4.18 4.27 2r9sB1 ILE 387 HB 0.04 -0.00 0.08 -0.04 1.89 1.97 2r9sB1 ILE 387 HG12 0.11 -0.10 0.13 -0.04 1.49 1.59 2r9sB1 ILE 387 HG13 0.06 0.10 0.03 -0.04 1.21 1.36 2r9sB1 ILE 387 HG23 0.08 0.05 -0.03 -0.04 0.93 1.00 2r9sB1 ILE 387 HD13 0.14 0.02 -0.17 -0.04 0.88 0.82 2r9sB1 GLU 388 H 0.01 0.04 -0.16 -0.55 8.60 7.94 2r9sB1 GLU 388 HA -0.09 0.15 0.38 -0.75 4.29 3.98 2r9sB1 GLU 388 HB2 -0.04 0.06 0.06 -0.04 2.09 2.13 2r9sB1 GLU 388 HB3 -0.03 -0.07 0.04 -0.04 1.99 1.88 2r9sB1 GLU 388 HG2 -0.04 0.03 -0.05 -0.04 2.34 2.24 2r9sB1 GLU 388 HG3 -0.05 0.01 -0.33 -0.04 2.34 1.93 2r9sB1 GLU 389 H -0.05 -0.01 -0.23 -0.55 8.60 7.76 2r9sB1 GLU 389 HA -0.11 0.11 0.63 -0.75 4.29 4.17 2r9sB1 GLU 389 HB2 -0.11 -0.03 0.11 -0.04 2.09 2.02 2r9sB1 GLU 389 HB3 -0.24 -0.02 0.13 -0.04 1.99 1.83 2r9sB1 GLU 389 HG2 -0.20 0.03 0.02 -0.04 2.34 2.14 2r9sB1 GLU 389 HG3 -0.52 0.05 -0.13 -0.04 2.34 1.70 2r9sB1 TRP 390 H -0.05 0.54 -0.16 -0.55 7.97 7.76 2r9sB1 TRP 390 HA -0.15 0.04 0.41 -0.75 4.62 4.17 2r9sB1 TRP 390 HB2 0.01 0.09 0.10 -0.04 3.23 3.40 2r9sB1 TRP 390 HB3 0.12 0.04 -0.13 -0.04 3.23 3.22 2r9sB1 TRP 390 HD1 0.07 -0.06 -0.34 -0.04 7.22 6.84 2r9sB1 TRP 390 HE1 0.09 -0.07 0.07 -0.04 10.20 10.24 2r9sB1 TRP 390 HE3 -0.22 -0.05 -0.02 -0.04 7.59 7.27 2r9sB1 TRP 390 HZ2 0.11 0.10 0.03 -0.04 7.44 7.64 2r9sB1 TRP 390 HZ3 -0.79 0.04 -0.03 -0.04 7.13 6.30 2r9sB1 TRP 390 HH2 0.05 0.16 -0.03 -0.04 7.19 7.34 2r9sB1 LYS 391 H -0.01 0.58 -0.11 -0.55 8.42 8.32 2r9sB1 LYS 391 HA -0.37 0.04 0.45 -0.75 4.32 3.69 2r9sB1 LYS 391 HB2 -0.26 0.01 0.22 -0.04 1.87 1.80 2r9sB1 LYS 391 HB3 -0.15 0.01 -0.01 -0.04 1.79 1.59 2r9sB1 LYS 391 HG2 -1.00 0.02 0.01 -0.04 1.46 0.45 2r9sB1 LYS 391 HG3 -1.68 -0.03 0.01 -0.04 1.46 -0.28 2r9sB1 LYS 391 HD2 -0.36 -0.01 -0.02 -0.04 1.69 1.26 2r9sB1 LYS 391 HD3 -0.24 -0.12 -0.01 -0.04 1.68 1.27 2r9sB1 LYS 391 HE2 -0.10 -0.09 -0.01 -0.04 2.99 2.75 2r9sB1 LYS 391 HE3 -0.12 0.09 0.03 -0.04 2.99 2.95 2r9sB1 GLU 392 H -0.00 0.44 -0.23 -0.55 8.60 8.26 2r9sB1 GLU 392 HA 0.12 0.01 0.44 -0.75 4.29 4.10 2r9sB1 GLU 392 HB2 -0.01 0.01 0.12 -0.04 2.09 2.17 2r9sB1 GLU 392 HB3 -0.03 0.11 0.18 -0.04 1.99 2.20 2r9sB1 GLU 392 HG2 0.01 0.03 -0.14 -0.04 2.34 2.20 2r9sB1 GLU 392 HG3 0.06 -0.04 0.04 -0.04 2.34 2.35 2r9sB1 LEU 393 H -0.01 0.70 0.05 -0.55 8.37 8.57 2r9sB1 LEU 393 HA 0.05 0.02 0.56 -0.75 4.35 4.23 2r9sB1 LEU 393 HB2 -0.03 0.03 0.14 -0.04 1.64 1.75 2r9sB1 LEU 393 HB3 -0.18 0.01 -0.01 -0.04 1.64 1.42 2r9sB1 LEU 393 HG -0.28 -0.00 0.02 -0.04 1.64 1.34 2r9sB1 LEU 393 HD13 -1.11 -0.03 -0.16 -0.04 0.93 -0.40 2r9sB1 LEU 393 HD23 -0.21 -0.00 0.01 -0.04 0.89 0.65 2r9sB1 ILE 394 H 0.35 0.65 -0.25 -0.55 8.25 8.46 2r9sB1 ILE 394 HA 0.43 0.06 0.28 -0.75 4.18 4.20 2r9sB1 ILE 394 HB 0.74 0.05 0.09 -0.04 1.89 2.73 2r9sB1 ILE 394 HG12 0.43 -0.02 -0.09 -0.04 1.49 1.76 2r9sB1 ILE 394 HG13 0.58 -0.01 -0.01 -0.04 1.21 1.73 2r9sB1 ILE 394 HG23 0.43 -0.01 -0.17 -0.04 0.93 1.13 2r9sB1 ILE 394 HD13 0.43 0.01 -0.10 -0.04 0.88 1.18 2r9sB1 TYR 395 H 0.34 0.70 -0.04 -0.55 8.29 8.74 2r9sB1 TYR 395 HA -0.52 -0.00 0.28 -0.75 4.56 3.56 2r9sB1 TYR 395 HB2 -0.26 0.14 0.09 -0.04 3.06 2.99 2r9sB1 TYR 395 HB3 -0.10 0.00 0.12 -0.04 2.98 2.95 2r9sB1 TYR 395 HD2 -0.90 0.01 -0.08 -0.04 7.15 6.14 2r9sB1 TYR 395 HE2 -0.15 0.02 -0.14 -0.04 6.85 6.54 2r9sB1 LYS 396 H 0.08 0.57 -0.21 -0.55 8.42 8.31 2r9sB1 LYS 396 HA -0.16 -0.02 0.39 -0.75 4.32 3.78 2r9sB1 LYS 396 HB2 0.04 0.12 0.12 -0.04 1.87 2.11 2r9sB1 LYS 396 HB3 -0.01 -0.02 -0.00 -0.04 1.79 1.73 2r9sB1 LYS 396 HG2 0.00 -0.05 0.01 -0.04 1.46 1.38 2r9sB1 LYS 396 HG3 0.06 -0.06 0.03 -0.04 1.46 1.44 2r9sB1 LYS 396 HD2 0.03 0.08 -0.11 -0.04 1.69 1.65 2r9sB1 LYS 396 HD3 0.02 0.01 -0.02 -0.04 1.68 1.64 2r9sB1 LYS 396 HE2 0.01 -0.00 -0.02 -0.04 2.99 2.94 2r9sB1 LYS 396 HE3 0.03 -0.06 -0.03 -0.04 2.99 2.88 2r9sB1 GLU 397 H 0.08 0.38 -0.20 -0.55 8.60 8.32 2r9sB1 GLU 397 HA -0.00 0.06 0.54 -0.75 4.29 4.13 2r9sB1 GLU 397 HB2 0.15 0.12 0.16 -0.04 2.09 2.47 2r9sB1 GLU 397 HB3 0.06 0.07 0.04 -0.04 1.99 2.12 2r9sB1 GLU 397 HG2 -0.17 -0.07 -0.04 -0.04 2.34 2.02 2r9sB1 GLU 397 HG3 -0.06 0.05 -0.05 -0.04 2.34 2.24 2r9sB1 VAL 398 H -0.06 0.33 -0.30 -0.55 8.24 7.66 2r9sB1 VAL 398 HA -0.01 0.07 0.42 -0.75 4.13 3.85 2r9sB1 VAL 398 HB -0.24 0.07 0.10 -0.04 2.12 2.02 2r9sB1 VAL 398 HG13 -0.01 -0.03 -0.29 -0.04 0.97 0.60 2r9sB1 VAL 398 HG23 0.13 0.01 -0.12 -0.04 0.95 0.92 2r9sB1 MET 399 H -0.28 0.51 -0.05 -0.55 8.47 8.10 2r9sB1 MET 399 HA -0.14 0.02 0.43 -0.75 4.52 4.07 2r9sB1 MET 399 HB2 -0.31 0.05 0.11 -0.04 2.15 1.96 2r9sB1 MET 399 HB3 -0.21 -0.10 0.09 -0.04 2.03 1.77 2r9sB1 MET 399 HG2 -1.04 0.15 0.03 -0.04 2.63 1.74 2r9sB1 MET 399 HG3 -0.90 -0.12 -0.04 -0.04 2.56 1.45 2r9sB1 MET 399 HE3 -0.11 0.03 -0.16 -0.04 2.10 1.83 2r9sB1 ASN 400 H -0.07 0.33 -0.54 -0.55 8.53 7.70 2r9sB1 ASN 400 HA -0.04 0.01 0.78 -0.75 4.76 4.76 2r9sB1 ASN 400 HB2 -0.03 0.16 0.14 -0.04 2.88 3.11 2r9sB1 ASN 400 HB3 -0.02 -0.07 0.11 -0.04 2.79 2.77 2r9sB1 ASN 400 HD21 -0.03 -0.12 -0.04 -0.04 7.03 6.81 2r9sB1 ASN 400 HD22 -0.02 0.01 -0.07 -0.04 7.74 7.62 2r9sB1 SER 401 H -0.02 0.19 -0.12 -0.55 8.46 7.97 2r9sB1 SER 401 HA 0.01 0.00 0.15 -0.75 4.49 3.89 2r9sB1 SER 401 HB2 0.00 0.19 0.31 -0.04 3.95 4.41 2r9sB1 SER 401 HB3 0.01 -0.02 0.10 -0.04 3.93 3.98