============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 6 0.840 -0.782 7.757 -18.564 -99.200 -91.000 PHE 10 1.000 7.316 17.717 -23.604 -99.200 -91.000 HIS 15 0.900 4.059 12.682 -39.616 -99.200 -91.000 PHE 24 1.000 6.348 6.101 -26.462 -99.200 -91.000 TRP 30 1.040 15.703 7.311 -30.724 -99.200 -91.000 TRP6 30 1.020 16.337 9.594 -30.705 -99.200 -91.000 TRP 43 1.040 8.055 12.731 -33.770 -99.200 -91.000 TRP6 43 1.020 7.524 14.958 -34.375 -99.200 -91.000 TYR 46 0.840 12.677 9.084 -21.968 -99.200 -91.000 PHE 50 1.000 11.856 16.562 -37.166 -99.200 -91.000 HIS 57 0.900 7.238 3.048 -47.942 -99.200 -91.000 TRP 66 1.040 10.583 1.927 -33.001 -99.200 -91.000 TRP6 66 1.020 12.463 3.316 -33.351 -99.200 -91.000 TRP 85 1.040 12.318 2.924 -43.743 -99.200 -91.000 TRP6 85 1.020 12.561 4.365 -45.599 -99.200 -91.000 HIS 99 0.900 1.689 -8.143 -48.755 -99.200 -91.000 TYR 102 0.840 -4.449 0.688 -51.244 -99.200 -91.000 PHE 104 1.000 -4.788 -1.104 -42.310 -99.200 -91.000 PHE 108 1.000 11.987 -5.082 -37.839 -99.200 -91.000 PHE 120 1.000 -8.160 -3.287 -50.184 -99.200 -91.000 TRP 127 1.040 7.730 -9.563 -46.117 -99.200 -91.000 TRP6 127 1.020 7.778 -9.230 -48.465 -99.200 -91.000 HIS 141 0.900 -7.372 -13.245 -41.581 -99.200 -91.000 HIS 149 0.900 2.156 -8.538 -31.131 -99.200 -91.000 PHE 150 1.000 6.728 -12.520 -36.143 -99.200 -91.000 TYR 162 0.840 -11.594 -3.714 -42.428 -99.200 -91.000 TRP 169 1.040 -1.817 -17.116 -39.272 -99.200 -91.000 TRP6 169 1.020 -2.584 -18.249 -41.202 -99.200 -91.000 PHE 190 1.000 -4.042 -3.575 -32.417 -99.200 -91.000 PHE 193 1.000 0.240 -13.948 -30.085 -99.200 -91.000 TYR 199 0.840 -4.705 -14.069 -20.749 -99.200 -91.000 TRP 212 1.040 -11.452 -12.821 -28.238 -99.200 -91.000 TRP6 212 1.020 -13.262 -14.329 -28.423 -99.200 -91.000 TYR 214 0.840 -3.220 -17.935 -28.091 -99.200 -91.000 TYR 223 0.840 -10.876 -4.728 -21.371 -99.200 -91.000 HIS 226 0.900 -13.745 1.707 -27.502 -99.200 -91.000 TYR 231 0.840 -11.475 6.626 -39.510 -99.200 -91.000 PHE 234 1.000 -1.728 0.972 -34.854 -99.200 -91.000 PHE 237 1.000 -2.653 -6.723 -23.649 -99.200 -91.000 TRP 244 1.040 -3.404 1.665 -16.164 -99.200 -91.000 TRP6 244 1.020 -4.784 1.486 -14.255 -99.200 -91.000 TYR 255 0.840 -13.183 6.374 -24.365 -99.200 -91.000 TRP 257 1.040 -12.069 0.534 -21.234 -99.200 -91.000 TRP6 257 1.020 -11.189 1.111 -23.355 -99.200 -91.000 HIS 271 0.900 -4.598 13.752 -30.209 -99.200 -91.000 HIS 281 0.900 9.380 5.058 -22.292 -99.200 -91.000 TRP 301 1.040 -1.626 12.127 -23.901 -99.200 -91.000 TRP6 301 1.020 -3.360 13.680 -23.472 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2g99B1 PRO 30 HA 0.08 -0.11 0.21 -0.51 4.44 4.11 2g99B1 PRO 30 HB2 0.15 0.10 -0.19 -0.04 2.28 2.30 2g99B1 PRO 30 HB3 0.08 -0.00 -0.01 -0.04 2.02 2.05 2g99B1 PRO 30 HG2 0.28 -0.07 -0.05 -0.04 2.03 2.15 2g99B1 PRO 30 HG3 0.15 -0.02 -0.05 -0.04 2.03 2.06 2g99B1 PRO 30 HD2 0.05 0.00 -0.07 -0.04 3.68 3.63 2g99B1 PRO 30 HD3 0.06 0.02 -0.02 -0.04 3.65 3.67 2g99B1 VAL 31 H 0.10 0.11 0.07 -0.55 8.24 7.97 2g99B1 VAL 31 HA 0.18 0.05 0.37 -0.75 4.13 3.97 2g99B1 VAL 31 HB 0.07 -0.00 0.09 -0.04 2.12 2.23 2g99B1 VAL 31 HG13 0.09 0.01 -0.05 -0.04 0.97 0.97 2g99B1 VAL 31 HG23 0.06 -0.00 0.06 -0.04 0.95 1.03 2g99B1 LYS 32 H 0.10 0.11 -0.15 -0.55 8.42 7.92 2g99B1 LYS 32 HA -0.11 0.18 0.75 -0.75 4.32 4.38 2g99B1 LYS 32 HB2 -0.03 -0.10 0.01 -0.04 1.87 1.71 2g99B1 LYS 32 HB3 -0.14 0.22 0.04 -0.04 1.79 1.88 2g99B1 LYS 32 HG2 -0.05 0.04 0.02 -0.04 1.46 1.43 2g99B1 LYS 32 HG3 0.02 -0.14 -0.37 -0.04 1.46 0.93 2g99B1 LYS 32 HD2 -0.03 -0.07 -0.02 -0.04 1.69 1.53 2g99B1 LYS 32 HD3 -0.08 0.19 0.07 -0.04 1.68 1.82 2g99B1 LYS 32 HE2 -0.02 0.03 0.03 -0.04 2.99 2.99 2g99B1 LYS 32 HE3 0.01 -0.07 -0.03 -0.04 2.99 2.86 2g99B1 PRO 33 HA -0.02 0.08 0.48 -0.51 4.44 4.47 2g99B1 PRO 33 HB2 -0.08 -0.05 -0.06 -0.04 2.28 2.04 2g99B1 PRO 33 HB3 -0.00 0.01 -0.04 -0.04 2.02 1.95 2g99B1 PRO 33 HG2 -0.43 0.03 -0.16 -0.04 2.03 1.43 2g99B1 PRO 33 HG3 -1.26 0.01 -0.12 -0.04 2.03 0.63 2g99B1 PRO 33 HD2 -0.71 0.15 0.08 -0.04 3.68 3.17 2g99B1 PRO 33 HD3 -1.77 0.15 -0.02 -0.04 3.65 1.97 2g99B1 ASN 34 H -0.16 0.08 -0.05 -0.55 8.53 7.85 2g99B1 ASN 34 HA -0.07 0.25 0.75 -0.75 4.76 4.93 2g99B1 ASN 34 HB2 -0.04 0.05 0.12 -0.04 2.88 2.96 2g99B1 ASN 34 HB3 -0.05 0.09 -0.12 -0.04 2.79 2.66 2g99B1 ASN 34 HD21 -0.03 -0.06 0.02 -0.04 7.03 6.91 2g99B1 ASN 34 HD22 -0.03 0.06 -0.02 -0.04 7.74 7.71 2g99B1 TYR 35 H 0.11 0.07 -0.18 -0.55 8.29 7.74 2g99B1 TYR 35 HA 0.05 0.22 0.15 -0.75 4.56 4.23 2g99B1 TYR 35 HB2 -0.16 -0.03 -0.08 -0.04 3.06 2.75 2g99B1 TYR 35 HB3 0.09 -0.01 -0.21 -0.04 2.98 2.81 2g99B1 TYR 35 HD2 -0.01 -0.02 -0.37 -0.04 7.15 6.70 2g99B1 TYR 35 HE2 0.03 0.00 -0.35 -0.04 6.85 6.49 2g99B1 ALA 36 H 0.22 0.56 0.44 -0.55 8.40 9.07 2g99B1 ALA 36 HA 0.26 0.10 0.83 -0.75 4.34 4.77 2g99B1 ALA 36 HB3 0.04 0.03 0.07 -0.04 1.41 1.51 2g99B1 LEU 37 H 0.09 0.13 0.14 -0.55 8.37 8.19 2g99B1 LEU 37 HA -0.68 0.06 0.51 -0.75 4.35 3.49 2g99B1 LEU 37 HB2 -0.77 -0.00 0.08 -0.04 1.64 0.91 2g99B1 LEU 37 HB3 -0.30 0.01 0.10 -0.04 1.64 1.42 2g99B1 LEU 37 HG -0.47 0.02 -0.31 -0.04 1.64 0.84 2g99B1 LEU 37 HD13 -1.29 0.03 -0.05 -0.04 0.93 -0.42 2g99B1 LEU 37 HD23 -0.36 -0.00 -0.10 -0.04 0.89 0.39 2g99B1 LYS 38 H -0.37 0.64 0.50 -0.55 8.42 8.64 2g99B1 LYS 38 HA -0.41 0.18 0.98 -0.75 4.32 4.32 2g99B1 LYS 38 HB2 -0.09 0.01 0.03 -0.04 1.87 1.78 2g99B1 LYS 38 HB3 -0.64 -0.01 -0.02 -0.04 1.79 1.08 2g99B1 LYS 38 HG2 -0.05 0.08 -0.13 -0.04 1.46 1.32 2g99B1 LYS 38 HG3 0.01 -0.04 -0.09 -0.04 1.46 1.29 2g99B1 LYS 38 HD2 -0.17 -0.03 -0.00 -0.04 1.69 1.45 2g99B1 LYS 38 HD3 -0.19 0.10 -0.02 -0.04 1.68 1.53 2g99B1 LYS 38 HE2 -0.03 0.03 -0.07 -0.04 2.99 2.88 2g99B1 LYS 38 HE3 -0.01 -0.04 -0.06 -0.04 2.99 2.83 2g99B1 PHE 39 H -0.22 0.27 0.36 -0.55 8.34 8.20 2g99B1 PHE 39 HA -0.12 0.20 0.73 -0.75 4.62 4.68 2g99B1 PHE 39 HB2 -0.09 -0.10 -0.13 -0.04 3.15 2.78 2g99B1 PHE 39 HB3 -0.07 0.05 -0.03 -0.04 3.06 2.98 2g99B1 PHE 39 HD2 -0.02 -0.06 -0.11 -0.04 7.28 7.05 2g99B1 PHE 39 HE2 0.02 0.03 0.00 -0.04 7.38 7.39 2g99B1 PHE 39 HZ 0.02 -0.05 0.02 -0.04 7.32 7.26 2g99B1 THR 40 H 0.03 0.32 0.15 -0.55 8.28 8.24 2g99B1 THR 40 HA -0.16 0.20 0.96 -0.75 4.39 4.63 2g99B1 THR 40 HB -0.08 0.00 0.09 -0.04 4.32 4.30 2g99B1 THR 40 HG23 -0.09 -0.01 -0.21 -0.04 1.22 0.87 2g99B1 LEU 41 H -0.22 1.00 0.35 -0.55 8.37 8.96 2g99B1 LEU 41 HA -0.12 0.18 0.99 -0.75 4.35 4.64 2g99B1 LEU 41 HB2 -1.06 -0.11 0.11 -0.04 1.64 0.53 2g99B1 LEU 41 HB3 -1.26 0.07 0.01 -0.04 1.64 0.41 2g99B1 LEU 41 HG -0.33 0.06 -0.15 -0.04 1.64 1.18 2g99B1 LEU 41 HD13 -0.69 -0.01 -0.16 -0.04 0.93 0.02 2g99B1 LEU 41 HD23 -0.06 0.07 -0.25 -0.04 0.89 0.61 2g99B1 ALA 42 H 0.03 0.24 0.21 -0.55 8.40 8.33 2g99B1 ALA 42 HA 0.02 0.16 0.85 -0.75 4.34 4.62 2g99B1 ALA 42 HB3 0.02 0.02 0.01 -0.04 1.41 1.42 2g99B1 GLY 43 H 0.09 0.26 0.11 -0.55 8.43 8.35 2g99B1 GLY 43 HA2 -0.03 0.04 0.31 -0.51 4.01 3.82 2g99B1 GLY 43 HA3 0.10 0.07 0.43 -0.51 4.01 4.09 2g99B1 HIS 44 H 0.16 0.14 0.10 -0.55 8.41 8.26 2g99B1 HIS 44 HA 0.05 0.02 0.45 -0.75 4.63 4.39 2g99B1 HIS 44 HB2 0.07 0.20 0.14 -0.04 3.26 3.63 2g99B1 HIS 44 HB3 0.04 -0.07 0.01 -0.04 3.20 3.14 2g99B1 HIS 44 HD2 0.18 0.06 -0.10 -0.04 6.97 7.07 2g99B1 HIS 44 HE1 0.05 0.07 -0.43 -0.04 7.75 7.40 2g99B1 THR 45 H 0.12 0.05 0.16 -0.55 8.28 8.06 2g99B1 THR 45 HA 0.04 0.26 0.78 -0.75 4.39 4.71 2g99B1 THR 45 HB 0.02 0.01 0.15 -0.04 4.32 4.46 2g99B1 THR 45 HG23 0.01 0.03 -0.03 -0.04 1.22 1.19 2g99B1 LYS 46 H 0.07 0.10 -0.09 -0.55 8.42 7.96 2g99B1 LYS 46 HA 0.01 0.22 0.60 -0.75 4.32 4.40 2g99B1 LYS 46 HB2 0.00 -0.18 -0.11 -0.04 1.87 1.55 2g99B1 LYS 46 HB3 -0.01 -0.11 0.12 -0.04 1.79 1.76 2g99B1 LYS 46 HG2 0.01 0.12 0.08 -0.04 1.46 1.63 2g99B1 LYS 46 HG3 0.01 0.01 -0.34 -0.04 1.46 1.11 2g99B1 LYS 46 HD2 -0.00 0.04 -0.36 -0.04 1.69 1.32 2g99B1 LYS 46 HD3 -0.00 -0.05 -0.03 -0.04 1.68 1.55 2g99B1 LYS 46 HE2 0.00 0.02 -0.01 -0.04 2.99 2.96 2g99B1 LYS 46 HE3 0.01 0.03 -0.05 -0.04 2.99 2.93 2g99B1 ALA 47 H -0.02 0.11 0.16 -0.55 8.40 8.11 2g99B1 ALA 47 HA -0.04 0.07 0.36 -0.75 4.34 3.99 2g99B1 ALA 47 HB3 -0.05 -0.03 0.20 -0.04 1.41 1.49 2g99B1 VAL 48 H -0.08 0.40 0.28 -0.55 8.24 8.30 2g99B1 VAL 48 HA -0.25 0.06 0.77 -0.75 4.13 3.95 2g99B1 VAL 48 HB -0.09 -0.04 -0.02 -0.04 2.12 1.93 2g99B1 VAL 48 HG13 -0.13 -0.01 -0.08 -0.04 0.97 0.71 2g99B1 VAL 48 HG23 -0.03 -0.01 -0.08 -0.04 0.95 0.78 2g99B1 SER 49 H -0.14 0.67 0.35 -0.55 8.46 8.79 2g99B1 SER 49 HA -0.03 0.17 0.97 -0.75 4.49 4.85 2g99B1 SER 49 HB2 -0.04 0.16 0.08 -0.04 3.95 4.11 2g99B1 SER 49 HB3 -0.06 -0.09 -0.02 -0.04 3.93 3.72 2g99B1 SER 50 H -0.09 0.19 0.19 -0.55 8.46 8.20 2g99B1 SER 50 HA -0.24 0.10 0.51 -0.75 4.49 4.10 2g99B1 SER 50 HB2 -0.58 0.04 0.14 -0.04 3.95 3.52 2g99B1 SER 50 HB3 0.07 0.32 -0.18 -0.04 3.93 4.10 2g99B1 VAL 51 H -0.35 0.28 0.10 -0.55 8.24 7.72 2g99B1 VAL 51 HA -0.07 0.40 1.00 -0.75 4.13 4.71 2g99B1 VAL 51 HB -0.17 0.01 -0.16 -0.04 2.12 1.75 2g99B1 VAL 51 HG13 -0.09 -0.01 -0.33 -0.04 0.97 0.50 2g99B1 VAL 51 HG23 -0.14 -0.03 -0.41 -0.04 0.95 0.34 2g99B1 LYS 52 H 0.04 0.55 0.24 -0.55 8.42 8.69 2g99B1 LYS 52 HA 0.07 0.13 0.80 -0.75 4.32 4.56 2g99B1 LYS 52 HB2 0.37 -0.10 -0.03 -0.04 1.87 2.06 2g99B1 LYS 52 HB3 0.39 0.05 0.03 -0.04 1.79 2.22 2g99B1 LYS 52 HG2 -0.02 -0.16 -0.56 -0.04 1.46 0.68 2g99B1 LYS 52 HG3 0.12 0.27 0.00 -0.04 1.46 1.81 2g99B1 LYS 52 HD2 0.18 -0.05 0.14 -0.04 1.69 1.92 2g99B1 LYS 52 HD3 -0.02 0.16 0.18 -0.04 1.68 1.95 2g99B1 LYS 52 HE2 0.01 -0.00 0.14 -0.04 2.99 3.10 2g99B1 LYS 52 HE3 -0.30 -0.10 0.04 -0.04 2.99 2.59 2g99B1 PHE 53 H 0.25 0.17 0.12 -0.55 8.34 8.32 2g99B1 PHE 53 HA 0.07 0.18 0.85 -0.75 4.62 4.96 2g99B1 PHE 53 HB2 -0.07 0.05 0.08 -0.04 3.15 3.17 2g99B1 PHE 53 HB3 -0.23 0.07 0.05 -0.04 3.06 2.90 2g99B1 PHE 53 HD2 0.02 0.05 -0.28 -0.04 7.28 7.03 2g99B1 PHE 53 HE2 0.08 0.10 -0.22 -0.04 7.38 7.30 2g99B1 PHE 53 HZ 0.12 0.02 -0.32 -0.04 7.32 7.09 2g99B1 SER 54 H -0.33 0.58 0.26 -0.55 8.46 8.42 2g99B1 SER 54 HA -2.03 0.12 0.43 -0.75 4.49 2.25 2g99B1 SER 54 HB2 -0.99 0.03 0.13 -0.04 3.95 3.08 2g99B1 SER 54 HB3 -2.34 0.07 0.08 -0.04 3.93 1.71 2g99B1 PRO 55 HA -0.10 0.13 0.51 -0.51 4.44 4.47 2g99B1 PRO 55 HB2 -0.05 0.09 0.11 -0.04 2.28 2.38 2g99B1 PRO 55 HB3 -0.02 0.05 0.17 -0.04 2.02 2.19 2g99B1 PRO 55 HG2 0.05 0.12 0.05 -0.04 2.03 2.22 2g99B1 PRO 55 HG3 0.05 0.06 0.10 -0.04 2.03 2.19 2g99B1 PRO 55 HD2 -0.18 0.01 0.24 -0.04 3.68 3.71 2g99B1 PRO 55 HD3 -0.23 0.11 0.23 -0.04 3.65 3.73 2g99B1 ASN 56 H -0.19 0.03 -0.29 -0.55 8.53 7.53 2g99B1 ASN 56 HA -0.07 0.22 0.57 -0.75 4.76 4.73 2g99B1 ASN 56 HB2 -0.05 0.04 0.14 -0.04 2.88 2.97 2g99B1 ASN 56 HB3 -0.05 0.07 0.02 -0.04 2.79 2.80 2g99B1 ASN 56 HD21 0.09 0.02 -0.02 -0.04 7.03 7.08 2g99B1 ASN 56 HD22 0.02 0.09 -0.02 -0.04 7.74 7.79 2g99B1 GLY 57 H -0.25 0.60 -0.51 -0.55 8.43 7.73 2g99B1 GLY 57 HA2 -0.47 0.07 0.32 -0.51 4.01 3.41 2g99B1 GLY 57 HA3 -0.10 0.07 0.36 -0.51 4.01 3.84 2g99B1 GLU 58 H -0.23 0.02 -0.50 -0.55 8.60 7.34 2g99B1 GLU 58 HA -0.24 0.14 0.58 -0.75 4.29 4.02 2g99B1 GLU 58 HB2 -0.30 0.10 0.01 -0.04 2.09 1.86 2g99B1 GLU 58 HB3 -0.58 -0.04 0.01 -0.04 1.99 1.34 2g99B1 GLU 58 HG2 -2.74 -0.01 -0.16 -0.04 2.34 -0.61 2g99B1 GLU 58 HG3 -0.88 -0.04 0.10 -0.04 2.34 1.47 2g99B1 TRP 59 H -0.17 0.04 -0.01 -0.55 7.97 7.27 2g99B1 TRP 59 HA 0.07 0.26 1.16 -0.75 4.62 5.36 2g99B1 TRP 59 HB2 -0.13 -0.08 -0.06 -0.04 3.23 2.92 2g99B1 TRP 59 HB3 0.25 0.08 0.01 -0.04 3.23 3.53 2g99B1 TRP 59 HD1 -0.16 -0.03 -0.05 -0.04 7.22 6.94 2g99B1 TRP 59 HE1 0.03 0.04 -0.08 -0.04 10.20 10.15 2g99B1 TRP 59 HE3 0.07 0.19 -0.29 -0.04 7.59 7.52 2g99B1 TRP 59 HZ2 0.02 0.01 -0.06 -0.04 7.44 7.37 2g99B1 TRP 59 HZ3 -0.01 0.01 -0.16 -0.04 7.13 6.93 2g99B1 TRP 59 HH2 -0.00 0.03 -0.06 -0.04 7.19 7.11 2g99B1 LEU 60 H 0.52 0.64 0.24 -0.55 8.37 9.23 2g99B1 LEU 60 HA 0.12 0.19 0.83 -0.75 4.35 4.73 2g99B1 LEU 60 HB2 -0.05 0.01 -0.20 -0.04 1.64 1.35 2g99B1 LEU 60 HB3 0.22 -0.03 -0.10 -0.04 1.64 1.70 2g99B1 LEU 60 HG -0.02 0.09 -0.37 -0.04 1.64 1.30 2g99B1 LEU 60 HD13 -0.95 0.00 -0.31 -0.04 0.93 -0.36 2g99B1 LEU 60 HD23 -0.25 -0.00 -0.23 -0.04 0.89 0.36 2g99B1 ALA 61 H 0.43 0.69 0.28 -0.55 8.40 9.25 2g99B1 ALA 61 HA 0.24 0.31 1.05 -0.75 4.34 5.19 2g99B1 ALA 61 HB3 -0.06 -0.02 -0.05 -0.04 1.41 1.25 2g99B1 SER 62 H 0.19 0.54 0.35 -0.55 8.46 9.01 2g99B1 SER 62 HA 0.06 0.37 1.06 -0.75 4.49 5.23 2g99B1 SER 62 HB2 0.20 0.02 0.03 -0.04 3.95 4.16 2g99B1 SER 62 HB3 0.25 -0.01 -0.18 -0.04 3.93 3.95 2g99B1 SER 63 H -0.05 0.48 0.34 -0.55 8.46 8.68 2g99B1 SER 63 HA -0.04 0.34 0.99 -0.75 4.49 5.03 2g99B1 SER 63 HB2 -0.06 0.00 -0.10 -0.04 3.95 3.75 2g99B1 SER 63 HB3 -0.05 0.00 -0.22 -0.04 3.93 3.62 2g99B1 SER 64 H -0.10 0.36 0.29 -0.55 8.46 8.46 2g99B1 SER 64 HA -0.19 0.11 0.94 -0.75 4.49 4.60 2g99B1 SER 64 HB2 -0.88 0.11 -0.19 -0.04 3.95 2.95 2g99B1 SER 64 HB3 -0.28 -0.01 -0.04 -0.04 3.93 3.55 2g99B1 ALA 65 H -0.08 0.69 0.23 -0.55 8.40 8.69 2g99B1 ALA 65 HA -0.05 -0.00 0.61 -0.75 4.34 4.14 2g99B1 ALA 65 HB3 -0.04 0.01 0.14 -0.04 1.41 1.49 2g99B1 ASP 66 H -0.02 0.04 -0.43 -0.55 8.40 7.45 2g99B1 ASP 66 HA 0.01 0.21 0.48 -0.75 4.63 4.58 2g99B1 ASP 66 HB2 0.05 0.13 0.11 -0.04 2.71 2.95 2g99B1 ASP 66 HB3 0.05 -0.06 -0.02 -0.04 2.70 2.63 2g99B1 LYS 67 H -0.01 0.15 -0.65 -0.55 8.42 7.36 2g99B1 LYS 67 HA 0.03 0.05 0.18 -0.75 4.32 3.83 2g99B1 LYS 67 HB2 0.04 0.17 0.12 -0.04 1.87 2.16 2g99B1 LYS 67 HB3 0.08 0.06 -0.03 -0.04 1.79 1.86 2g99B1 LYS 67 HG2 0.03 -0.19 -0.73 -0.04 1.46 0.52 2g99B1 LYS 67 HG3 0.02 -0.07 -0.77 -0.04 1.46 0.60 2g99B1 LYS 67 HD2 0.03 0.01 -0.16 -0.04 1.69 1.53 2g99B1 LYS 67 HD3 0.05 0.09 -0.32 -0.04 1.68 1.46 2g99B1 LYS 67 HE2 0.02 -0.03 -0.04 -0.04 2.99 2.90 2g99B1 LYS 67 HE3 0.02 -0.07 -0.10 -0.04 2.99 2.80 2g99B1 LEU 68 H 0.05 -0.09 -0.39 -0.55 8.37 7.39 2g99B1 LEU 68 HA -0.03 0.34 1.11 -0.75 4.35 5.01 2g99B1 LEU 68 HB2 0.15 -0.13 -0.15 -0.04 1.64 1.47 2g99B1 LEU 68 HB3 -0.01 0.06 -0.06 -0.04 1.64 1.60 2g99B1 LEU 68 HG 0.04 0.16 -0.31 -0.04 1.64 1.49 2g99B1 LEU 68 HD13 0.00 -0.02 -0.10 -0.04 0.93 0.78 2g99B1 LEU 68 HD23 -0.02 0.04 -0.18 -0.04 0.89 0.69 2g99B1 ILE 69 H -0.17 0.61 0.34 -0.55 8.25 8.48 2g99B1 ILE 69 HA -0.02 0.35 1.04 -0.75 4.18 4.79 2g99B1 ILE 69 HB -0.49 0.01 0.14 -0.04 1.89 1.52 2g99B1 ILE 69 HG12 -0.15 0.00 -0.08 -0.04 1.49 1.22 2g99B1 ILE 69 HG13 -0.18 -0.04 -0.32 -0.04 1.21 0.63 2g99B1 ILE 69 HG23 -0.30 -0.01 -0.18 -0.04 0.93 0.41 2g99B1 ILE 69 HD13 -0.56 -0.02 -0.18 -0.04 0.88 0.09 2g99B1 LYS 70 H 0.12 0.51 0.31 -0.55 8.42 8.80 2g99B1 LYS 70 HA -0.26 0.30 1.15 -0.75 4.32 4.77 2g99B1 LYS 70 HB2 0.19 -0.07 -0.01 -0.04 1.87 1.94 2g99B1 LYS 70 HB3 -0.62 0.07 -0.02 -0.04 1.79 1.17 2g99B1 LYS 70 HG2 -0.13 0.07 -0.07 -0.04 1.46 1.29 2g99B1 LYS 70 HG3 -0.13 -0.11 -0.46 -0.04 1.46 0.72 2g99B1 LYS 70 HD2 -1.02 -0.07 -0.22 -0.04 1.69 0.33 2g99B1 LYS 70 HD3 -0.34 0.06 -0.18 -0.04 1.68 1.18 2g99B1 LYS 70 HE2 -0.26 -0.08 -0.24 -0.04 2.99 2.36 2g99B1 LYS 70 HE3 -0.29 0.03 -0.68 -0.04 2.99 2.01 2g99B1 ILE 71 H -0.61 0.63 0.36 -0.55 8.25 8.09 2g99B1 ILE 71 HA -0.02 0.26 1.03 -0.75 4.18 4.69 2g99B1 ILE 71 HB -0.53 -0.09 0.09 -0.04 1.89 1.32 2g99B1 ILE 71 HG12 -0.37 0.01 -0.24 -0.04 1.49 0.85 2g99B1 ILE 71 HG13 -0.38 0.06 -0.14 -0.04 1.21 0.70 2g99B1 ILE 71 HG23 -0.33 0.01 -0.13 -0.04 0.93 0.43 2g99B1 ILE 71 HD13 -0.21 0.02 -0.23 -0.04 0.88 0.42 2g99B1 TRP 72 H 0.43 0.59 0.32 -0.55 7.97 8.76 2g99B1 TRP 72 HA 0.07 0.20 0.84 -0.75 4.62 4.98 2g99B1 TRP 72 HB2 0.10 -0.04 -0.23 -0.04 3.23 3.02 2g99B1 TRP 72 HB3 0.09 0.08 -0.30 -0.04 3.23 3.06 2g99B1 TRP 72 HD1 0.07 0.25 -0.25 -0.04 7.22 7.25 2g99B1 TRP 72 HE1 0.09 -0.04 -0.24 -0.04 10.20 9.97 2g99B1 TRP 72 HE3 0.15 0.17 -0.16 -0.04 7.59 7.71 2g99B1 TRP 72 HZ2 -0.12 -0.07 -0.22 -0.04 7.44 6.99 2g99B1 TRP 72 HZ3 0.06 0.06 0.00 -0.04 7.13 7.22 2g99B1 TRP 72 HH2 -0.08 0.13 -0.44 -0.04 7.19 6.75 2g99B1 GLY 73 H 0.35 0.58 0.03 -0.55 8.43 8.84 2g99B1 GLY 73 HA2 0.21 0.22 0.65 -0.51 4.01 4.57 2g99B1 GLY 73 HA3 0.14 -0.06 0.38 -0.51 4.01 3.96 2g99B1 ALA 74 H -0.09 0.62 0.17 -0.55 8.40 8.55 2g99B1 ALA 74 HA 0.17 0.07 0.20 -0.75 4.34 4.02 2g99B1 ALA 74 HB3 -0.09 0.01 -0.23 -0.04 1.41 1.06 2g99B1 TYR 75 H -0.05 0.01 -0.22 -0.55 8.29 7.47 2g99B1 TYR 75 HA 0.01 0.26 0.81 -0.75 4.56 4.89 2g99B1 TYR 75 HB2 -0.07 -0.04 0.03 -0.04 3.06 2.94 2g99B1 TYR 75 HB3 -0.04 0.05 -0.01 -0.04 2.98 2.94 2g99B1 TYR 75 HD2 -0.14 -0.01 -0.01 -0.04 7.15 6.95 2g99B1 TYR 75 HE2 -0.29 -0.05 -0.07 -0.04 6.85 6.41 2g99B1 ASP 76 H -0.04 -0.06 -0.06 -0.55 8.40 7.69 2g99B1 ASP 76 HA -0.72 0.31 0.87 -0.75 4.63 4.34 2g99B1 ASP 76 HB2 -0.24 0.05 0.09 -0.04 2.71 2.57 2g99B1 ASP 76 HB3 -0.08 0.07 -0.02 -0.04 2.70 2.63 2g99B1 GLY 77 H -0.13 0.23 -0.20 -0.55 8.43 7.79 2g99B1 GLY 77 HA2 0.03 0.15 0.18 -0.51 4.01 3.86 2g99B1 GLY 77 HA3 -0.20 0.05 0.26 -0.51 4.01 3.61 2g99B1 LYS 78 H 0.01 -0.09 -0.32 -0.55 8.42 7.48 2g99B1 LYS 78 HA 0.15 0.12 0.43 -0.75 4.32 4.27 2g99B1 LYS 78 HB2 0.04 0.03 0.02 -0.04 1.87 1.91 2g99B1 LYS 78 HB3 0.11 -0.12 0.08 -0.04 1.79 1.82 2g99B1 LYS 78 HG2 0.12 0.27 -0.26 -0.04 1.46 1.55 2g99B1 LYS 78 HG3 0.09 -0.00 0.02 -0.04 1.46 1.53 2g99B1 LYS 78 HD2 0.10 -0.05 -0.06 -0.04 1.69 1.64 2g99B1 LYS 78 HD3 0.07 0.05 -0.02 -0.04 1.68 1.74 2g99B1 LYS 78 HE2 0.05 0.01 -0.01 -0.04 2.99 3.00 2g99B1 LYS 78 HE3 0.05 0.02 -0.00 -0.04 2.99 3.02 2g99B1 PHE 79 H 0.36 0.14 0.22 -0.55 8.34 8.50 2g99B1 PHE 79 HA -0.21 0.03 0.46 -0.75 4.62 4.15 2g99B1 PHE 79 HB2 -0.06 0.04 0.14 -0.04 3.15 3.23 2g99B1 PHE 79 HB3 -0.06 -0.02 0.13 -0.04 3.06 3.07 2g99B1 PHE 79 HD2 -1.02 -0.00 -0.12 -0.04 7.28 6.10 2g99B1 PHE 79 HE2 -0.46 -0.00 -0.15 -0.04 7.38 6.73 2g99B1 PHE 79 HZ -0.30 -0.06 -0.31 -0.04 7.32 6.61 2g99B1 GLU 80 H -0.96 0.62 0.44 -0.55 8.60 8.15 2g99B1 GLU 80 HA -0.32 0.19 0.95 -0.75 4.29 4.36 2g99B1 GLU 80 HB2 -0.07 -0.04 -0.14 -0.04 2.09 1.79 2g99B1 GLU 80 HB3 -0.55 -0.04 -0.06 -0.04 1.99 1.31 2g99B1 GLU 80 HG2 -0.92 -0.05 -0.13 -0.04 2.34 1.20 2g99B1 GLU 80 HG3 -0.45 0.04 -0.23 -0.04 2.34 1.65 2g99B1 LYS 81 H -1.22 0.28 0.34 -0.55 8.42 7.27 2g99B1 LYS 81 HA -0.65 0.11 0.43 -0.75 4.32 3.46 2g99B1 LYS 81 HB2 -0.28 0.03 0.13 -0.04 1.87 1.70 2g99B1 LYS 81 HB3 -0.38 0.20 -0.22 -0.04 1.79 1.35 2g99B1 LYS 81 HG2 -0.49 -0.12 -0.19 -0.04 1.46 0.61 2g99B1 LYS 81 HG3 -0.40 -0.07 -0.44 -0.04 1.46 0.52 2g99B1 LYS 81 HD2 -0.30 -0.01 -0.15 -0.04 1.69 1.19 2g99B1 LYS 81 HD3 -0.24 0.06 -0.15 -0.04 1.68 1.31 2g99B1 LYS 81 HE2 -0.26 0.01 -0.10 -0.04 2.99 2.61 2g99B1 LYS 81 HE3 -0.38 -0.12 -0.12 -0.04 2.99 2.33 2g99B1 THR 82 H -0.15 0.26 0.19 -0.55 8.28 8.04 2g99B1 THR 82 HA -0.17 0.23 1.12 -0.75 4.39 4.81 2g99B1 THR 82 HB -0.03 -0.00 0.09 -0.04 4.32 4.34 2g99B1 THR 82 HG23 -0.09 -0.01 -0.18 -0.04 1.22 0.91 2g99B1 ILE 83 H -0.27 0.85 0.36 -0.55 8.25 8.64 2g99B1 ILE 83 HA -0.29 0.23 0.99 -0.75 4.18 4.36 2g99B1 ILE 83 HB -0.67 -0.10 0.08 -0.04 1.89 1.15 2g99B1 ILE 83 HG12 -0.30 0.12 -0.15 -0.04 1.49 1.12 2g99B1 ILE 83 HG13 -0.36 -0.06 -0.36 -0.04 1.21 0.39 2g99B1 ILE 83 HG23 -1.13 0.05 -0.16 -0.04 0.93 -0.36 2g99B1 ILE 83 HD13 -0.38 -0.01 -0.19 -0.04 0.88 0.25 2g99B1 SER 84 H -0.17 0.29 0.18 -0.55 8.46 8.21 2g99B1 SER 84 HA -0.14 0.19 1.04 -0.75 4.49 4.83 2g99B1 SER 84 HB2 -0.00 0.03 0.03 -0.04 3.95 3.98 2g99B1 SER 84 HB3 -0.06 -0.02 -0.15 -0.04 3.93 3.66 2g99B1 GLY 85 H 0.11 0.25 0.16 -0.55 8.43 8.39 2g99B1 GLY 85 HA2 0.13 0.05 0.34 -0.51 4.01 4.01 2g99B1 GLY 85 HA3 0.39 0.08 0.47 -0.51 4.01 4.43 2g99B1 HIS 86 H 0.26 0.11 0.10 -0.55 8.41 8.32 2g99B1 HIS 86 HA 0.10 0.03 0.44 -0.75 4.63 4.44 2g99B1 HIS 86 HB2 0.11 0.13 0.11 -0.04 3.26 3.57 2g99B1 HIS 86 HB3 0.07 0.01 0.02 -0.04 3.20 3.26 2g99B1 HIS 86 HD2 0.29 0.04 -0.14 -0.04 6.97 7.11 2g99B1 HIS 86 HE1 0.00 0.01 -0.47 -0.04 7.75 7.25 2g99B1 LYS 87 H 0.18 0.04 0.19 -0.55 8.42 8.27 2g99B1 LYS 87 HA 0.07 0.21 0.64 -0.75 4.32 4.49 2g99B1 LYS 87 HB2 0.08 -0.07 0.11 -0.04 1.87 1.95 2g99B1 LYS 87 HB3 0.05 0.01 0.06 -0.04 1.79 1.87 2g99B1 LYS 87 HG2 0.04 0.04 0.02 -0.04 1.46 1.53 2g99B1 LYS 87 HG3 0.05 0.03 0.03 -0.04 1.46 1.54 2g99B1 LYS 87 HD2 0.04 -0.00 0.03 -0.04 1.69 1.71 2g99B1 LYS 87 HD3 0.03 -0.01 0.02 -0.04 1.68 1.68 2g99B1 LYS 87 HE2 0.02 -0.00 0.00 -0.04 2.99 2.96 2g99B1 LYS 87 HE3 0.02 0.00 0.00 -0.04 2.99 2.97 2g99B1 LEU 88 H 0.10 -0.01 -0.02 -0.55 8.37 7.89 2g99B1 LEU 88 HA 0.02 0.27 0.72 -0.75 4.35 4.61 2g99B1 LEU 88 HB2 0.03 -0.19 -0.06 -0.04 1.64 1.38 2g99B1 LEU 88 HB3 -0.00 -0.09 0.15 -0.04 1.64 1.66 2g99B1 LEU 88 HG 0.05 -0.05 -0.45 -0.04 1.64 1.15 2g99B1 LEU 88 HD13 0.07 0.01 -0.19 -0.04 0.93 0.78 2g99B1 LEU 88 HD23 0.02 0.07 0.06 -0.04 0.89 1.00 2g99B1 GLY 89 H -0.04 0.12 0.16 -0.55 8.43 8.13 2g99B1 GLY 89 HA2 -0.03 0.02 0.42 -0.51 4.01 3.91 2g99B1 GLY 89 HA3 -0.06 0.04 0.43 -0.51 4.01 3.91 2g99B1 ILE 90 H -0.07 0.49 0.27 -0.55 8.25 8.39 2g99B1 ILE 90 HA -0.15 0.17 1.01 -0.75 4.18 4.44 2g99B1 ILE 90 HB -0.07 -0.11 0.10 -0.04 1.89 1.76 2g99B1 ILE 90 HG12 -0.23 -0.01 -0.18 -0.04 1.49 1.03 2g99B1 ILE 90 HG13 -0.04 -0.04 -0.13 -0.04 1.21 0.96 2g99B1 ILE 90 HG23 -0.07 -0.02 -0.10 -0.04 0.93 0.70 2g99B1 ILE 90 HD13 0.07 0.04 -0.29 -0.04 0.88 0.67 2g99B1 SER 91 H -0.11 0.70 0.38 -0.55 8.46 8.88 2g99B1 SER 91 HA -0.13 0.10 0.88 -0.75 4.49 4.58 2g99B1 SER 91 HB2 -0.23 0.12 0.15 -0.04 3.95 3.96 2g99B1 SER 91 HB3 -0.61 0.11 0.16 -0.04 3.93 3.55 2g99B1 ASP 92 H -0.06 0.20 0.20 -0.55 8.40 8.19 2g99B1 ASP 92 HA 0.06 0.14 0.64 -0.75 4.63 4.71 2g99B1 ASP 92 HB2 -0.02 0.33 -0.27 -0.04 2.71 2.70 2g99B1 ASP 92 HB3 0.05 -0.17 -0.14 -0.04 2.70 2.40 2g99B1 VAL 93 H 0.05 0.38 0.18 -0.55 8.24 8.30 2g99B1 VAL 93 HA 0.03 0.31 0.84 -0.75 4.13 4.55 2g99B1 VAL 93 HB -0.05 -0.01 -0.28 -0.04 2.12 1.74 2g99B1 VAL 93 HG13 -0.06 -0.02 -0.33 -0.04 0.97 0.52 2g99B1 VAL 93 HG23 -0.16 0.00 -0.14 -0.04 0.95 0.61 2g99B1 ALA 94 H 0.05 0.42 0.30 -0.55 8.40 8.63 2g99B1 ALA 94 HA 0.19 0.14 0.70 -0.75 4.34 4.60 2g99B1 ALA 94 HB3 0.27 0.04 -0.04 -0.04 1.41 1.63 2g99B1 TRP 95 H 0.52 0.19 0.16 -0.55 7.97 8.28 2g99B1 TRP 95 HA 0.15 0.26 0.93 -0.75 4.62 5.21 2g99B1 TRP 95 HB2 0.11 0.03 0.11 -0.04 3.23 3.43 2g99B1 TRP 95 HB3 0.05 0.06 0.13 -0.04 3.23 3.43 2g99B1 TRP 95 HD1 0.12 0.02 -0.19 -0.04 7.22 7.13 2g99B1 TRP 95 HE1 0.09 0.29 -0.29 -0.04 10.20 10.25 2g99B1 TRP 95 HE3 0.06 -0.02 -0.06 -0.04 7.59 7.52 2g99B1 TRP 95 HZ2 0.14 -0.03 -0.34 -0.04 7.44 7.17 2g99B1 TRP 95 HZ3 0.02 0.18 -0.09 -0.04 7.13 7.20 2g99B1 TRP 95 HH2 -0.09 0.01 -0.14 -0.04 7.19 6.93 2g99B1 SER 96 H -0.02 0.40 0.25 -0.55 8.46 8.55 2g99B1 SER 96 HA -0.96 0.15 0.58 -0.75 4.49 3.52 2g99B1 SER 96 HB2 -0.41 0.05 0.17 -0.04 3.95 3.72 2g99B1 SER 96 HB3 -1.05 0.09 0.09 -0.04 3.93 3.02 2g99B1 SER 97 H -0.12 0.24 0.16 -0.55 8.46 8.20 2g99B1 SER 97 HA 0.02 0.12 0.45 -0.75 4.49 4.33 2g99B1 SER 97 HB2 -0.02 0.01 0.15 -0.04 3.95 4.05 2g99B1 SER 97 HB3 0.00 -0.00 0.09 -0.04 3.93 3.98 2g99B1 ASP 98 H -0.03 0.03 -0.19 -0.55 8.40 7.66 2g99B1 ASP 98 HA 0.01 0.27 0.71 -0.75 4.63 4.86 2g99B1 ASP 98 HB2 0.02 0.07 0.16 -0.04 2.71 2.92 2g99B1 ASP 98 HB3 0.00 0.07 0.07 -0.04 2.70 2.79 2g99B1 SER 99 H 0.06 0.45 -0.48 -0.55 8.46 7.94 2g99B1 SER 99 HA 0.27 0.09 0.33 -0.75 4.49 4.42 2g99B1 SER 99 HB2 0.05 0.28 -0.00 -0.04 3.95 4.24 2g99B1 SER 99 HB3 0.01 -0.05 0.18 -0.04 3.93 4.02 2g99B1 ASN 100 H 0.10 -0.05 -0.44 -0.55 8.53 7.59 2g99B1 ASN 100 HA 0.17 0.21 0.79 -0.75 4.76 5.17 2g99B1 ASN 100 HB2 0.05 -0.04 0.01 -0.04 2.88 2.86 2g99B1 ASN 100 HB3 0.07 -0.04 0.05 -0.04 2.79 2.83 2g99B1 ASN 100 HD21 0.05 0.05 0.00 -0.04 7.03 7.09 2g99B1 ASN 100 HD22 0.04 -0.05 -0.01 -0.04 7.74 7.68 2g99B1 LEU 101 H 0.07 -0.06 0.06 -0.55 8.37 7.89 2g99B1 LEU 101 HA 0.09 0.37 1.21 -0.75 4.35 5.27 2g99B1 LEU 101 HB2 -0.16 -0.12 0.05 -0.04 1.64 1.36 2g99B1 LEU 101 HB3 0.17 0.11 0.10 -0.04 1.64 1.98 2g99B1 LEU 101 HG 0.01 -0.14 -0.11 -0.04 1.64 1.36 2g99B1 LEU 101 HD13 0.06 0.02 -0.05 -0.04 0.93 0.92 2g99B1 LEU 101 HD23 0.06 0.04 -0.12 -0.04 0.89 0.83 2g99B1 LEU 102 H 0.18 0.52 0.38 -0.55 8.37 8.90 2g99B1 LEU 102 HA 0.06 0.35 0.88 -0.75 4.35 4.89 2g99B1 LEU 102 HB2 -0.04 -0.04 -0.06 -0.04 1.64 1.46 2g99B1 LEU 102 HB3 -0.13 0.02 -0.09 -0.04 1.64 1.41 2g99B1 LEU 102 HG -0.81 -0.01 -0.40 -0.04 1.64 0.39 2g99B1 LEU 102 HD13 -0.62 -0.00 -0.20 -0.04 0.93 0.07 2g99B1 LEU 102 HD23 -1.45 0.02 -0.23 -0.04 0.89 -0.82 2g99B1 VAL 103 H 0.20 0.46 0.32 -0.55 8.24 8.67 2g99B1 VAL 103 HA 0.13 0.38 0.99 -0.75 4.13 4.87 2g99B1 VAL 103 HB -0.31 -0.02 -0.16 -0.04 2.12 1.59 2g99B1 VAL 103 HG13 -0.11 0.02 -0.18 -0.04 0.97 0.65 2g99B1 VAL 103 HG23 -0.19 0.00 -0.25 -0.04 0.95 0.48 2g99B1 SER 104 H 0.20 0.41 0.29 -0.55 8.46 8.82 2g99B1 SER 104 HA 0.09 0.30 1.08 -0.75 4.49 5.21 2g99B1 SER 104 HB2 0.18 0.03 -0.04 -0.04 3.95 4.08 2g99B1 SER 104 HB3 0.23 -0.00 -0.10 -0.04 3.93 4.02 2g99B1 ALA 105 H 0.00 0.56 0.21 -0.55 8.40 8.63 2g99B1 ALA 105 HA -0.02 0.16 0.84 -0.75 4.34 4.57 2g99B1 ALA 105 HB3 0.01 -0.01 -0.33 -0.04 1.41 1.04 2g99B1 SER 106 H -0.09 0.54 0.32 -0.55 8.46 8.68 2g99B1 SER 106 HA -0.16 0.21 1.28 -0.75 4.49 5.06 2g99B1 SER 106 HB2 -0.94 0.02 -0.15 -0.04 3.95 2.84 2g99B1 SER 106 HB3 -0.44 0.03 0.03 -0.04 3.93 3.51 2g99B1 ASP 107 H -0.07 0.74 0.25 -0.55 8.40 8.77 2g99B1 ASP 107 HA 0.21 -0.03 0.54 -0.75 4.63 4.59 2g99B1 ASP 107 HB2 -0.06 -0.04 0.13 -0.04 2.71 2.70 2g99B1 ASP 107 HB3 -0.03 0.03 0.12 -0.04 2.70 2.78 2g99B1 ASP 108 H 0.03 0.07 -0.43 -0.55 8.40 7.53 2g99B1 ASP 108 HA 0.09 0.19 0.43 -0.75 4.63 4.59 2g99B1 ASP 108 HB2 0.09 0.12 0.14 -0.04 2.71 3.02 2g99B1 ASP 108 HB3 0.09 -0.11 0.07 -0.04 2.70 2.71 2g99B1 LYS 109 H 0.12 0.10 -0.99 -0.55 8.42 7.10 2g99B1 LYS 109 HA 0.11 0.06 0.10 -0.75 4.32 3.84 2g99B1 LYS 109 HB2 0.07 0.20 0.00 -0.04 1.87 2.10 2g99B1 LYS 109 HB3 0.10 0.08 -0.02 -0.04 1.79 1.91 2g99B1 LYS 109 HG2 0.01 -0.20 -0.50 -0.04 1.46 0.73 2g99B1 LYS 109 HG3 0.05 0.01 -0.51 -0.04 1.46 0.97 2g99B1 LYS 109 HD2 0.03 0.03 -0.17 -0.04 1.69 1.54 2g99B1 LYS 109 HD3 0.02 -0.04 -0.39 -0.04 1.68 1.24 2g99B1 LYS 109 HE2 -0.10 -0.05 -0.16 -0.04 2.99 2.64 2g99B1 LYS 109 HE3 -0.03 -0.02 -0.12 -0.04 2.99 2.78 2g99B1 THR 110 H 0.09 -0.06 -0.48 -0.55 8.28 7.29 2g99B1 THR 110 HA 0.03 0.35 1.12 -0.75 4.39 5.14 2g99B1 THR 110 HB -0.04 0.07 0.00 -0.04 4.32 4.31 2g99B1 THR 110 HG23 0.04 0.06 -0.19 -0.04 1.22 1.09 2g99B1 LEU 111 H -0.19 0.49 0.33 -0.55 8.37 8.46 2g99B1 LEU 111 HA 0.02 0.44 0.98 -0.75 4.35 5.03 2g99B1 LEU 111 HB2 -0.54 -0.04 0.06 -0.04 1.64 1.07 2g99B1 LEU 111 HB3 -0.25 -0.02 -0.03 -0.04 1.64 1.29 2g99B1 LEU 111 HG -0.03 -0.01 -0.17 -0.04 1.64 1.39 2g99B1 LEU 111 HD13 -0.32 0.00 -0.16 -0.04 0.93 0.41 2g99B1 LEU 111 HD23 -0.06 0.01 -0.26 -0.04 0.89 0.54 2g99B1 LYS 112 H 0.07 0.30 0.28 -0.55 8.42 8.52 2g99B1 LYS 112 HA -0.42 0.33 1.08 -0.75 4.32 4.55 2g99B1 LYS 112 HB2 -0.30 -0.08 -0.01 -0.04 1.87 1.44 2g99B1 LYS 112 HB3 -1.54 0.07 -0.10 -0.04 1.79 0.18 2g99B1 LYS 112 HG2 -0.54 0.09 -0.02 -0.04 1.46 0.95 2g99B1 LYS 112 HG3 -0.31 -0.06 -0.43 -0.04 1.46 0.62 2g99B1 LYS 112 HD2 -1.37 -0.09 -0.22 -0.04 1.69 -0.03 2g99B1 LYS 112 HD3 -0.86 0.04 -0.19 -0.04 1.68 0.62 2g99B1 LYS 112 HE2 -0.24 -0.05 -0.18 -0.04 2.99 2.48 2g99B1 LYS 112 HE3 -0.25 0.08 -0.40 -0.04 2.99 2.38 2g99B1 ILE 113 H -0.45 0.62 0.31 -0.55 8.25 8.18 2g99B1 ILE 113 HA -0.07 0.24 1.02 -0.75 4.18 4.62 2g99B1 ILE 113 HB -0.15 -0.08 0.15 -0.04 1.89 1.76 2g99B1 ILE 113 HG12 -0.10 -0.02 -0.11 -0.04 1.49 1.22 2g99B1 ILE 113 HG13 -0.21 -0.04 -0.16 -0.04 1.21 0.76 2g99B1 ILE 113 HG23 0.11 0.01 -0.11 -0.04 0.93 0.89 2g99B1 ILE 113 HD13 -0.03 0.01 -0.11 -0.04 0.88 0.71 2g99B1 TRP 114 H 0.25 0.78 0.38 -0.55 7.97 8.83 2g99B1 TRP 114 HA -0.05 0.23 1.15 -0.75 4.62 5.20 2g99B1 TRP 114 HB2 -0.10 -0.11 -0.17 -0.04 3.23 2.81 2g99B1 TRP 114 HB3 -0.09 0.12 -0.27 -0.04 3.23 2.95 2g99B1 TRP 114 HD1 -0.06 0.01 -0.39 -0.04 7.22 6.74 2g99B1 TRP 114 HE1 0.01 -0.07 -0.17 -0.04 10.20 9.93 2g99B1 TRP 114 HE3 -0.09 0.11 -0.56 -0.04 7.59 7.01 2g99B1 TRP 114 HZ2 -0.33 -0.07 -0.21 -0.04 7.44 6.79 2g99B1 TRP 114 HZ3 -0.10 0.20 -0.07 -0.04 7.13 7.12 2g99B1 TRP 114 HH2 -0.18 -0.11 -0.46 -0.04 7.19 6.40 2g99B1 ASP 115 H 0.16 0.67 0.18 -0.55 8.40 8.86 2g99B1 ASP 115 HA 0.07 0.18 0.78 -0.75 4.63 4.91 2g99B1 ASP 115 HB2 0.04 0.08 0.09 -0.04 2.71 2.88 2g99B1 ASP 115 HB3 0.05 -0.08 0.23 -0.04 2.70 2.86 2g99B1 VAL 116 H 0.05 0.59 0.19 -0.55 8.24 8.52 2g99B1 VAL 116 HA -0.10 0.04 0.21 -0.75 4.13 3.52 2g99B1 VAL 116 HB -0.05 -0.03 -0.14 -0.04 2.12 1.86 2g99B1 VAL 116 HG13 0.12 0.18 0.06 -0.04 0.97 1.29 2g99B1 VAL 116 HG23 -0.16 -0.00 -0.16 -0.04 0.95 0.59 2g99B1 SER 117 H 0.01 0.09 -0.16 -0.55 8.46 7.85 2g99B1 SER 117 HA -0.06 0.09 0.34 -0.75 4.49 4.11 2g99B1 SER 117 HB2 0.02 0.00 0.09 -0.04 3.95 4.03 2g99B1 SER 117 HB3 0.01 -0.08 0.07 -0.04 3.93 3.89 2g99B1 SER 118 H -0.00 0.02 -0.14 -0.55 8.46 7.79 2g99B1 SER 118 HA -0.02 0.21 0.72 -0.75 4.49 4.65 2g99B1 SER 118 HB2 0.00 0.05 0.10 -0.04 3.95 4.05 2g99B1 SER 118 HB3 0.00 -0.01 0.05 -0.04 3.93 3.93 2g99B1 GLY 119 H -0.01 0.53 -0.12 -0.55 8.43 8.28 2g99B1 GLY 119 HA2 -0.05 -0.03 0.20 -0.51 4.01 3.62 2g99B1 GLY 119 HA3 -0.06 0.11 0.42 -0.51 4.01 3.97 2g99B1 LYS 120 H 0.07 -0.05 -0.36 -0.55 8.42 7.52 2g99B1 LYS 120 HA 0.14 0.18 0.58 -0.75 4.32 4.46 2g99B1 LYS 120 HB2 0.04 -0.10 -0.04 -0.04 1.87 1.73 2g99B1 LYS 120 HB3 0.02 0.08 -0.03 -0.04 1.79 1.82 2g99B1 LYS 120 HG2 0.03 0.08 -0.07 -0.04 1.46 1.45 2g99B1 LYS 120 HG3 0.02 -0.01 -0.18 -0.04 1.46 1.26 2g99B1 LYS 120 HD2 0.01 -0.07 -0.02 -0.04 1.69 1.57 2g99B1 LYS 120 HD3 0.01 0.03 -0.02 -0.04 1.68 1.65 2g99B1 LYS 120 HE2 0.00 0.00 0.01 -0.04 2.99 2.97 2g99B1 LYS 120 HE3 0.00 -0.02 -0.00 -0.04 2.99 2.93 2g99B1 CYS 121 H 0.03 0.19 0.13 -0.55 8.50 8.31 2g99B1 CYS 121 HA -0.51 0.10 0.65 -0.75 4.58 4.06 2g99B1 CYS 121 HB2 -0.79 0.03 0.02 -0.04 2.97 2.18 2g99B1 CYS 121 HB3 -0.26 0.01 0.14 -0.04 2.97 2.82 2g99B1 LEU 122 H -0.23 0.49 0.36 -0.55 8.37 8.44 2g99B1 LEU 122 HA -0.09 0.08 0.52 -0.75 4.35 4.11 2g99B1 LEU 122 HB2 -0.09 -0.00 0.00 -0.04 1.64 1.51 2g99B1 LEU 122 HB3 -0.05 0.04 -0.08 -0.04 1.64 1.51 2g99B1 LEU 122 HG -0.01 0.02 -0.04 -0.04 1.64 1.56 2g99B1 LEU 122 HD13 0.01 -0.05 -0.14 -0.04 0.93 0.70 2g99B1 LEU 122 HD23 0.02 -0.01 -0.16 -0.04 0.89 0.70 2g99B1 LYS 123 H -0.29 0.25 0.19 -0.55 8.42 8.02 2g99B1 LYS 123 HA -0.15 0.22 0.72 -0.75 4.32 4.35 2g99B1 LYS 123 HB2 -0.15 -0.14 -0.05 -0.04 1.87 1.50 2g99B1 LYS 123 HB3 -0.12 0.06 -0.09 -0.04 1.79 1.60 2g99B1 LYS 123 HG2 -0.07 -0.03 -0.66 -0.04 1.46 0.65 2g99B1 LYS 123 HG3 -0.04 0.10 -0.23 -0.04 1.46 1.25 2g99B1 LYS 123 HD2 -0.03 0.04 -0.16 -0.04 1.69 1.49 2g99B1 LYS 123 HD3 -0.06 0.02 0.08 -0.04 1.68 1.68 2g99B1 LYS 123 HE2 -0.01 0.19 -0.15 -0.04 2.99 2.98 2g99B1 LYS 123 HE3 -0.01 -0.00 0.00 -0.04 2.99 2.94 2g99B1 THR 124 H -0.16 0.30 0.13 -0.55 8.28 8.00 2g99B1 THR 124 HA -0.29 0.19 1.04 -0.75 4.39 4.58 2g99B1 THR 124 HB -0.13 0.01 0.13 -0.04 4.32 4.29 2g99B1 THR 124 HG23 -0.12 -0.00 -0.16 -0.04 1.22 0.90 2g99B1 LEU 125 H -0.34 0.68 0.22 -0.55 8.37 8.39 2g99B1 LEU 125 HA -0.27 0.25 0.75 -0.75 4.35 4.32 2g99B1 LEU 125 HB2 -1.07 -0.15 0.15 -0.04 1.64 0.53 2g99B1 LEU 125 HB3 -2.39 0.03 -0.08 -0.04 1.64 -0.84 2g99B1 LEU 125 HG -0.49 -0.02 -0.23 -0.04 1.64 0.87 2g99B1 LEU 125 HD13 -0.95 -0.03 -0.23 -0.04 0.93 -0.32 2g99B1 LEU 125 HD23 -0.18 0.04 -0.22 -0.04 0.89 0.49 2g99B1 LYS 126 H 0.05 0.29 0.23 -0.55 8.42 8.43 2g99B1 LYS 126 HA 0.06 0.17 0.89 -0.75 4.32 4.69 2g99B1 LYS 126 HB2 0.08 0.01 0.08 -0.04 1.87 1.99 2g99B1 LYS 126 HB3 0.06 0.03 0.02 -0.04 1.79 1.87 2g99B1 LYS 126 HG2 -0.01 -0.01 -0.18 -0.04 1.46 1.22 2g99B1 LYS 126 HG3 -0.02 0.10 -0.14 -0.04 1.46 1.35 2g99B1 LYS 126 HD2 0.01 0.00 -0.00 -0.04 1.69 1.66 2g99B1 LYS 126 HD3 0.02 0.01 -0.03 -0.04 1.68 1.63 2g99B1 LYS 126 HE2 -0.03 0.03 -0.01 -0.04 2.99 2.94 2g99B1 LYS 126 HE3 -0.01 -0.01 -0.02 -0.04 2.99 2.91 2g99B1 GLY 127 H 0.19 0.29 0.14 -0.55 8.43 8.51 2g99B1 GLY 127 HA2 0.09 0.05 0.35 -0.51 4.01 3.99 2g99B1 GLY 127 HA3 0.18 0.04 0.39 -0.51 4.01 4.11 2g99B1 HIS 128 H 0.28 0.13 0.10 -0.55 8.41 8.37 2g99B1 HIS 128 HA 0.10 0.03 0.44 -0.75 4.63 4.44 2g99B1 HIS 128 HB2 0.16 0.22 0.11 -0.04 3.26 3.71 2g99B1 HIS 128 HB3 0.11 -0.04 0.04 -0.04 3.20 3.27 2g99B1 HIS 128 HD2 0.29 0.05 -0.14 -0.04 6.97 7.12 2g99B1 HIS 128 HE1 0.08 0.04 -0.38 -0.04 7.75 7.44 2g99B1 SER 129 H 0.17 0.06 0.16 -0.55 8.46 8.30 2g99B1 SER 129 HA 0.06 0.24 0.79 -0.75 4.49 4.83 2g99B1 SER 129 HB2 0.03 0.01 0.17 -0.04 3.95 4.11 2g99B1 SER 129 HB3 0.04 0.07 0.05 -0.04 3.93 4.05 2g99B1 ASN 130 H 0.09 0.19 -0.08 -0.55 8.53 8.19 2g99B1 ASN 130 HA -0.19 0.19 0.45 -0.75 4.76 4.46 2g99B1 ASN 130 HB2 0.02 0.06 -0.34 -0.04 2.88 2.58 2g99B1 ASN 130 HB3 0.06 -0.16 -0.09 -0.04 2.79 2.56 2g99B1 ASN 130 HD21 -0.30 0.01 0.02 -0.04 7.03 6.72 2g99B1 ASN 130 HD22 0.05 0.04 -0.06 -0.04 7.74 7.72 2g99B1 TYR 131 H -0.72 0.14 0.15 -0.55 8.29 7.31 2g99B1 TYR 131 HA 0.01 0.05 0.41 -0.75 4.56 4.28 2g99B1 TYR 131 HB2 0.07 -0.07 -0.03 -0.04 3.06 2.99 2g99B1 TYR 131 HB3 0.03 0.04 -0.01 -0.04 2.98 3.00 2g99B1 TYR 131 HD2 -0.21 0.11 0.16 -0.04 7.15 7.18 2g99B1 TYR 131 HE2 -0.37 0.04 0.05 -0.04 6.85 6.53 2g99B1 VAL 132 H 0.12 0.53 0.13 -0.55 8.24 8.47 2g99B1 VAL 132 HA -0.04 0.07 0.79 -0.75 4.13 4.19 2g99B1 VAL 132 HB 0.03 -0.15 0.11 -0.04 2.12 2.07 2g99B1 VAL 132 HG13 0.05 -0.00 -0.10 -0.04 0.97 0.87 2g99B1 VAL 132 HG23 0.11 -0.01 -0.25 -0.04 0.95 0.76 2g99B1 PHE 133 H 0.19 0.60 0.40 -0.55 8.34 8.98 2g99B1 PHE 133 HA 0.05 0.09 0.70 -0.75 4.62 4.71 2g99B1 PHE 133 HB2 0.10 -0.16 -0.08 -0.04 3.15 2.97 2g99B1 PHE 133 HB3 0.06 0.22 -0.03 -0.04 3.06 3.27 2g99B1 PHE 133 HD2 0.07 0.02 -0.07 -0.04 7.28 7.26 2g99B1 PHE 133 HE2 0.05 0.04 0.07 -0.04 7.38 7.50 2g99B1 PHE 133 HZ 0.09 -0.07 0.10 -0.04 7.32 7.40 2g99B1 CYS 134 H 0.15 0.28 0.23 -0.55 8.50 8.61 2g99B1 CYS 134 HA 0.06 0.18 0.75 -0.75 4.58 4.80 2g99B1 CYS 134 HB2 0.15 -0.05 0.05 -0.04 2.97 3.08 2g99B1 CYS 134 HB3 0.17 0.33 -0.16 -0.04 2.97 3.27 2g99B1 CYS 135 H 0.15 0.34 0.19 -0.55 8.50 8.63 2g99B1 CYS 135 HA 0.12 0.34 0.70 -0.75 4.58 4.98 2g99B1 CYS 135 HB2 0.01 -0.02 -0.11 -0.04 2.97 2.81 2g99B1 CYS 135 HB3 0.05 0.07 -0.27 -0.04 2.97 2.77 2g99B1 ASN 136 H 0.12 0.45 0.26 -0.55 8.53 8.81 2g99B1 ASN 136 HA 0.26 0.04 0.55 -0.75 4.76 4.85 2g99B1 ASN 136 HB2 0.26 0.01 -0.24 -0.04 2.88 2.87 2g99B1 ASN 136 HB3 0.41 0.02 -0.03 -0.04 2.79 3.15 2g99B1 ASN 136 HD21 0.42 -0.05 0.19 -0.04 7.03 7.55 2g99B1 ASN 136 HD22 0.36 0.43 0.30 -0.04 7.74 8.79 2g99B1 PHE 137 H 0.47 0.19 0.16 -0.55 8.34 8.61 2g99B1 PHE 137 HA 0.16 0.21 0.87 -0.75 4.62 5.11 2g99B1 PHE 137 HB2 0.15 0.13 0.09 -0.04 3.15 3.48 2g99B1 PHE 137 HB3 0.06 0.04 0.14 -0.04 3.06 3.25 2g99B1 PHE 137 HD2 0.11 0.04 -0.27 -0.04 7.28 7.11 2g99B1 PHE 137 HE2 0.07 0.08 -0.24 -0.04 7.38 7.24 2g99B1 PHE 137 HZ 0.06 0.01 -0.31 -0.04 7.32 7.04 2g99B1 ASN 138 H -0.09 0.25 0.24 -0.55 8.53 8.39 2g99B1 ASN 138 HA -0.47 0.20 0.71 -0.75 4.76 4.44 2g99B1 ASN 138 HB2 -0.72 0.05 0.17 -0.04 2.88 2.34 2g99B1 ASN 138 HB3 -2.65 0.08 0.06 -0.04 2.79 0.23 2g99B1 ASN 138 HD21 -0.14 -0.08 -0.01 -0.04 7.03 6.76 2g99B1 ASN 138 HD22 -0.34 0.18 0.01 -0.04 7.74 7.55 2g99B1 PRO 139 HA 0.02 0.11 0.43 -0.51 4.44 4.49 2g99B1 PRO 139 HB2 -0.04 -0.03 0.01 -0.04 2.28 2.18 2g99B1 PRO 139 HB3 -0.00 0.10 0.09 -0.04 2.02 2.17 2g99B1 PRO 139 HG2 -0.02 0.08 -0.20 -0.04 2.03 1.84 2g99B1 PRO 139 HG3 0.02 0.07 0.05 -0.04 2.03 2.13 2g99B1 PRO 139 HD2 -0.14 0.01 0.09 -0.04 3.68 3.59 2g99B1 PRO 139 HD3 -0.05 0.16 0.19 -0.04 3.65 3.91 2g99B1 GLN 140 H -0.08 0.11 -0.18 -0.55 8.47 7.77 2g99B1 GLN 140 HA -0.02 0.15 0.41 -0.75 4.36 4.14 2g99B1 GLN 140 HB2 -0.02 0.01 0.04 -0.04 2.15 2.14 2g99B1 GLN 140 HB3 -0.03 0.09 0.08 -0.04 2.02 2.13 2g99B1 GLN 140 HG2 -0.10 -0.22 -0.01 -0.04 2.40 2.04 2g99B1 GLN 140 HG3 -0.05 0.05 -0.01 -0.04 2.39 2.33 2g99B1 GLN 140 HE21 -0.04 0.16 0.05 -0.04 6.97 7.09 2g99B1 GLN 140 HE22 -0.04 -0.01 0.00 -0.04 7.69 7.61 2g99B1 SER 141 H -0.02 0.20 -0.50 -0.55 8.46 7.59 2g99B1 SER 141 HA 0.19 0.05 0.37 -0.75 4.49 4.35 2g99B1 SER 141 HB2 -0.03 0.28 -0.04 -0.04 3.95 4.12 2g99B1 SER 141 HB3 -0.12 -0.08 0.27 -0.04 3.93 3.96 2g99B1 ASN 142 H 0.02 0.03 -0.22 -0.55 8.53 7.81 2g99B1 ASN 142 HA 0.08 0.17 0.76 -0.75 4.76 5.01 2g99B1 ASN 142 HB2 0.04 -0.02 0.12 -0.04 2.88 2.98 2g99B1 ASN 142 HB3 0.02 0.10 -0.01 -0.04 2.79 2.86 2g99B1 ASN 142 HD21 0.00 0.03 -0.08 -0.04 7.03 6.94 2g99B1 ASN 142 HD22 0.02 0.00 -0.05 -0.04 7.74 7.68 2g99B1 LEU 143 H 0.06 -0.02 -0.00 -0.55 8.37 7.85 2g99B1 LEU 143 HA 0.11 0.34 1.06 -0.75 4.35 5.11 2g99B1 LEU 143 HB2 -0.10 -0.13 -0.01 -0.04 1.64 1.36 2g99B1 LEU 143 HB3 0.15 0.11 0.00 -0.04 1.64 1.86 2g99B1 LEU 143 HG 0.00 -0.14 -0.25 -0.04 1.64 1.21 2g99B1 LEU 143 HD13 0.06 0.02 -0.10 -0.04 0.93 0.86 2g99B1 LEU 143 HD23 0.07 0.06 -0.08 -0.04 0.89 0.90 2g99B1 ILE 144 H 0.21 0.55 0.27 -0.55 8.25 8.73 2g99B1 ILE 144 HA 0.07 0.27 0.97 -0.75 4.18 4.74 2g99B1 ILE 144 HB 0.03 -0.05 -0.09 -0.04 1.89 1.74 2g99B1 ILE 144 HG12 -1.10 0.02 -0.20 -0.04 1.49 0.17 2g99B1 ILE 144 HG13 -0.25 -0.08 -0.54 -0.04 1.21 0.30 2g99B1 ILE 144 HG23 -0.10 -0.00 -0.31 -0.04 0.93 0.48 2g99B1 ILE 144 HD13 -0.36 0.00 -0.24 -0.04 0.88 0.24 2g99B1 VAL 145 H 0.29 0.69 0.30 -0.55 8.24 8.97 2g99B1 VAL 145 HA 0.22 0.35 1.09 -0.75 4.13 5.03 2g99B1 VAL 145 HB -0.13 -0.04 -0.12 -0.04 2.12 1.79 2g99B1 VAL 145 HG13 -0.04 0.02 -0.20 -0.04 0.97 0.71 2g99B1 VAL 145 HG23 -0.13 0.01 -0.17 -0.04 0.95 0.62 2g99B1 SER 146 H 0.23 0.58 0.33 -0.55 8.46 9.06 2g99B1 SER 146 HA 0.17 0.29 0.91 -0.75 4.49 5.10 2g99B1 SER 146 HB2 0.29 0.04 0.05 -0.04 3.95 4.29 2g99B1 SER 146 HB3 0.27 -0.03 -0.18 -0.04 3.93 3.95 2g99B1 GLY 147 H 0.13 0.49 0.26 -0.55 8.43 8.77 2g99B1 GLY 147 HA2 0.08 0.29 1.00 -0.51 4.01 4.88 2g99B1 GLY 147 HA3 0.09 0.04 0.20 -0.51 4.01 3.83 2g99B1 SER 148 H -0.01 0.47 0.30 -0.55 8.46 8.68 2g99B1 SER 148 HA 0.01 0.13 1.21 -0.75 4.49 5.09 2g99B1 SER 148 HB2 -0.95 0.06 -0.09 -0.04 3.95 2.92 2g99B1 SER 148 HB3 -0.35 -0.01 0.02 -0.04 3.93 3.56 2g99B1 PHE 149 H 0.21 0.70 0.21 -0.55 8.34 8.91 2g99B1 PHE 149 HA -0.08 0.03 0.51 -0.75 4.62 4.33 2g99B1 PHE 149 HB2 0.12 0.04 0.13 -0.04 3.15 3.39 2g99B1 PHE 149 HB3 -0.08 -0.06 0.06 -0.04 3.06 2.94 2g99B1 PHE 149 HD2 -0.07 0.01 -0.07 -0.04 7.28 7.10 2g99B1 PHE 149 HE2 -0.09 0.03 0.02 -0.04 7.38 7.30 2g99B1 PHE 149 HZ -0.06 0.03 0.03 -0.04 7.32 7.29 2g99B1 ASP 150 H 0.08 0.05 -0.38 -0.55 8.40 7.59 2g99B1 ASP 150 HA 0.06 0.20 0.35 -0.75 4.63 4.49 2g99B1 ASP 150 HB2 0.08 0.12 0.08 -0.04 2.71 2.95 2g99B1 ASP 150 HB3 0.09 -0.06 -0.05 -0.04 2.70 2.64 2g99B1 GLU 151 H -0.04 0.21 -0.91 -0.55 8.60 7.32 2g99B1 GLU 151 HA -0.02 0.09 0.12 -0.75 4.29 3.73 2g99B1 GLU 151 HB2 -0.00 0.16 0.04 -0.04 2.09 2.24 2g99B1 GLU 151 HB3 0.01 0.02 -0.14 -0.04 1.99 1.84 2g99B1 GLU 151 HG2 -0.16 -0.13 -0.56 -0.04 2.34 1.46 2g99B1 GLU 151 HG3 -0.09 -0.05 -0.76 -0.04 2.34 1.41 2g99B1 SER 152 H 0.07 -0.07 -0.33 -0.55 8.46 7.59 2g99B1 SER 152 HA 0.01 0.25 1.09 -0.75 4.49 5.08 2g99B1 SER 152 HB2 -0.02 0.08 -0.03 -0.04 3.95 3.94 2g99B1 SER 152 HB3 0.04 0.10 -0.17 -0.04 3.93 3.86 2g99B1 VAL 153 H -0.13 0.53 0.35 -0.55 8.24 8.44 2g99B1 VAL 153 HA 0.04 0.33 1.03 -0.75 4.13 4.77 2g99B1 VAL 153 HB -0.49 -0.04 0.13 -0.04 2.12 1.68 2g99B1 VAL 153 HG13 -0.27 0.01 -0.20 -0.04 0.97 0.47 2g99B1 VAL 153 HG23 -0.09 -0.01 -0.13 -0.04 0.95 0.68 2g99B1 ARG 154 H 0.12 0.43 0.24 -0.55 8.46 8.70 2g99B1 ARG 154 HA -0.32 0.32 1.13 -0.75 4.34 4.72 2g99B1 ARG 154 HB2 -0.01 -0.08 -0.03 -0.04 1.90 1.74 2g99B1 ARG 154 HB3 -1.16 0.04 -0.09 -0.04 1.80 0.55 2g99B1 ARG 154 HG2 -0.47 0.11 0.01 -0.04 1.67 1.29 2g99B1 ARG 154 HG3 -0.26 -0.10 -0.36 -0.04 1.67 0.90 2g99B1 ARG 154 HD2 -1.07 -0.08 -0.21 -0.04 3.22 1.82 2g99B1 ARG 154 HD3 -0.92 0.04 -0.18 -0.04 3.22 2.12 2g99B1 ILE 155 H -0.40 0.56 0.29 -0.55 8.25 8.16 2g99B1 ILE 155 HA 0.06 0.27 1.00 -0.75 4.18 4.76 2g99B1 ILE 155 HB -0.12 -0.05 0.12 -0.04 1.89 1.81 2g99B1 ILE 155 HG12 -0.03 -0.01 -0.17 -0.04 1.49 1.24 2g99B1 ILE 155 HG13 -0.17 -0.05 -0.29 -0.04 1.21 0.66 2g99B1 ILE 155 HG23 0.12 0.01 -0.13 -0.04 0.93 0.88 2g99B1 ILE 155 HD13 -0.05 0.01 -0.13 -0.04 0.88 0.67 2g99B1 TRP 156 H 0.37 0.79 0.35 -0.55 7.97 8.93 2g99B1 TRP 156 HA -0.01 0.14 1.12 -0.75 4.62 5.11 2g99B1 TRP 156 HB2 -0.02 -0.09 -0.17 -0.04 3.23 2.90 2g99B1 TRP 156 HB3 -0.03 0.11 -0.25 -0.04 3.23 3.03 2g99B1 TRP 156 HD1 -0.00 0.20 -0.31 -0.04 7.22 7.06 2g99B1 TRP 156 HE1 0.03 -0.04 -0.23 -0.04 10.20 9.92 2g99B1 TRP 156 HE3 -0.04 0.11 -0.46 -0.04 7.59 7.16 2g99B1 TRP 156 HZ2 -0.27 -0.06 -0.22 -0.04 7.44 6.85 2g99B1 TRP 156 HZ3 -0.06 0.20 -0.07 -0.04 7.13 7.16 2g99B1 TRP 156 HH2 -0.11 -0.07 -0.80 -0.04 7.19 6.17 2g99B1 ASP 157 H 0.20 0.70 0.19 -0.55 8.40 8.96 2g99B1 ASP 157 HA 0.10 0.22 0.84 -0.75 4.63 5.04 2g99B1 ASP 157 HB2 0.06 0.09 0.09 -0.04 2.71 2.92 2g99B1 ASP 157 HB3 0.09 -0.10 0.20 -0.04 2.70 2.85 2g99B1 VAL 158 H 0.11 0.59 0.13 -0.55 8.24 8.52 2g99B1 VAL 158 HA 0.08 0.05 0.20 -0.75 4.13 3.70 2g99B1 VAL 158 HB 0.13 -0.01 0.08 -0.04 2.12 2.28 2g99B1 VAL 158 HG13 0.18 0.01 -0.21 -0.04 0.97 0.91 2g99B1 VAL 158 HG23 0.23 0.04 -0.45 -0.04 0.95 0.73 2g99B1 LYS 159 H 0.06 0.10 -0.05 -0.55 8.42 7.99 2g99B1 LYS 159 HA 0.04 0.10 0.36 -0.75 4.32 4.06 2g99B1 LYS 159 HB2 0.04 -0.06 0.07 -0.04 1.87 1.88 2g99B1 LYS 159 HB3 0.03 0.06 -0.00 -0.04 1.79 1.83 2g99B1 LYS 159 HG2 0.04 0.03 0.03 -0.04 1.46 1.52 2g99B1 LYS 159 HG3 0.05 -0.05 0.09 -0.04 1.46 1.51 2g99B1 LYS 159 HD2 0.03 0.01 0.02 -0.04 1.69 1.70 2g99B1 LYS 159 HD3 0.03 -0.01 0.02 -0.04 1.68 1.68 2g99B1 LYS 159 HE2 0.02 0.02 -0.02 -0.04 2.99 2.97 2g99B1 LYS 159 HE3 0.02 0.01 0.00 -0.04 2.99 2.98 2g99B1 THR 160 H 0.05 -0.02 -0.22 -0.55 8.28 7.54 2g99B1 THR 160 HA 0.02 0.23 0.73 -0.75 4.39 4.62 2g99B1 THR 160 HB 0.03 0.06 0.07 -0.04 4.32 4.44 2g99B1 THR 160 HG23 0.03 -0.00 -0.03 -0.04 1.22 1.17 2g99B1 GLY 161 H 0.07 0.52 -0.11 -0.55 8.43 8.36 2g99B1 GLY 161 HA2 0.04 -0.00 0.21 -0.51 4.01 3.75 2g99B1 GLY 161 HA3 0.01 0.10 0.45 -0.51 4.01 4.07 2g99B1 LYS 162 H 0.10 -0.05 -0.31 -0.55 8.42 7.61 2g99B1 LYS 162 HA 0.18 0.19 0.66 -0.75 4.32 4.59 2g99B1 LYS 162 HB2 0.05 -0.10 -0.01 -0.04 1.87 1.77 2g99B1 LYS 162 HB3 0.03 0.11 -0.06 -0.04 1.79 1.83 2g99B1 LYS 162 HG2 0.05 0.06 -0.05 -0.04 1.46 1.49 2g99B1 LYS 162 HG3 0.04 0.02 -0.11 -0.04 1.46 1.37 2g99B1 LYS 162 HD2 0.02 -0.04 -0.03 -0.04 1.69 1.59 2g99B1 LYS 162 HD3 0.01 0.04 -0.02 -0.04 1.68 1.67 2g99B1 LYS 162 HE2 0.01 -0.01 -0.00 -0.04 2.99 2.94 2g99B1 LYS 162 HE3 0.02 0.02 -0.00 -0.04 2.99 2.98 2g99B1 CYS 163 H 0.04 0.21 0.15 -0.55 8.50 8.35 2g99B1 CYS 163 HA -0.48 0.03 0.61 -0.75 4.58 3.98 2g99B1 CYS 163 HB2 -1.13 0.04 0.04 -0.04 2.97 1.88 2g99B1 CYS 163 HB3 -0.37 0.02 0.12 -0.04 2.97 2.70 2g99B1 LEU 164 H -0.22 0.49 0.45 -0.55 8.37 8.53 2g99B1 LEU 164 HA -0.09 0.10 0.61 -0.75 4.35 4.22 2g99B1 LEU 164 HB2 -0.07 0.03 0.01 -0.04 1.64 1.56 2g99B1 LEU 164 HB3 -0.05 0.01 -0.01 -0.04 1.64 1.56 2g99B1 LEU 164 HG 0.00 -0.02 -0.04 -0.04 1.64 1.54 2g99B1 LEU 164 HD13 0.03 -0.02 -0.14 -0.04 0.93 0.76 2g99B1 LEU 164 HD23 -0.01 0.00 -0.08 -0.04 0.89 0.77 2g99B1 LYS 165 H -0.31 0.30 0.21 -0.55 8.42 8.07 2g99B1 LYS 165 HA -0.17 0.18 0.63 -0.75 4.32 4.21 2g99B1 LYS 165 HB2 -0.16 -0.12 -0.06 -0.04 1.87 1.49 2g99B1 LYS 165 HB3 -0.13 0.05 -0.04 -0.04 1.79 1.63 2g99B1 LYS 165 HG2 -0.08 0.20 -0.09 -0.04 1.46 1.45 2g99B1 LYS 165 HG3 -0.08 -0.17 -0.58 -0.04 1.46 0.58 2g99B1 LYS 165 HD2 -0.04 -0.04 -0.18 -0.04 1.69 1.38 2g99B1 LYS 165 HD3 -0.05 0.04 -0.17 -0.04 1.68 1.46 2g99B1 LYS 165 HE2 -0.02 -0.01 -0.06 -0.04 2.99 2.85 2g99B1 LYS 165 HE3 -0.01 -0.09 -0.09 -0.04 2.99 2.75 2g99B1 THR 166 H -0.17 0.30 0.09 -0.55 8.28 7.96 2g99B1 THR 166 HA -0.27 0.13 0.93 -0.75 4.39 4.43 2g99B1 THR 166 HB -0.14 0.02 0.11 -0.04 4.32 4.27 2g99B1 THR 166 HG23 -0.13 -0.01 -0.18 -0.04 1.22 0.86 2g99B1 LEU 167 H -0.25 0.85 0.32 -0.55 8.37 8.74 2g99B1 LEU 167 HA -0.18 0.29 0.91 -0.75 4.35 4.61 2g99B1 LEU 167 HB2 -0.66 -0.14 0.18 -0.04 1.64 0.99 2g99B1 LEU 167 HB3 -0.85 0.08 -0.04 -0.04 1.64 0.79 2g99B1 LEU 167 HG -0.37 -0.03 -0.15 -0.04 1.64 1.06 2g99B1 LEU 167 HD13 -0.92 -0.02 -0.15 -0.04 0.93 -0.20 2g99B1 LEU 167 HD23 -0.16 0.07 -0.09 -0.04 0.89 0.66 2g99B1 PRO 168 HA -0.02 0.10 0.48 -0.51 4.44 4.50 2g99B1 PRO 168 HB2 0.04 0.02 0.20 -0.04 2.28 2.50 2g99B1 PRO 168 HB3 0.01 0.04 0.11 -0.04 2.02 2.14 2g99B1 PRO 168 HG2 -0.00 0.03 0.08 -0.04 2.03 2.10 2g99B1 PRO 168 HG3 -0.03 0.03 0.01 -0.04 2.03 2.00 2g99B1 PRO 168 HD2 0.02 0.09 0.15 -0.04 3.68 3.90 2g99B1 PRO 168 HD3 -0.07 0.32 0.33 -0.04 3.65 4.20 2g99B1 ALA 169 H -0.11 0.65 -0.09 -0.55 8.40 8.31 2g99B1 ALA 169 HA 0.35 0.02 0.24 -0.75 4.34 4.20 2g99B1 ALA 169 HB3 -0.11 -0.03 -0.05 -0.04 1.41 1.17 2g99B1 HIS 170 H 0.11 0.53 0.08 -0.55 8.41 8.59 2g99B1 HIS 170 HA 0.06 0.20 0.75 -0.75 4.63 4.89 2g99B1 HIS 170 HB2 0.02 0.12 -0.07 -0.04 3.26 3.28 2g99B1 HIS 170 HB3 0.01 -0.23 0.08 -0.04 3.20 3.02 2g99B1 HIS 170 HD2 0.08 -0.04 -0.35 -0.04 6.97 6.61 2g99B1 HIS 170 HE1 0.03 -0.01 -0.51 -0.04 7.75 7.22 2g99B1 SER 171 H 0.13 0.09 0.09 -0.55 8.46 8.21 2g99B1 SER 171 HA 0.02 0.25 0.84 -0.75 4.49 4.84 2g99B1 SER 171 HB2 0.00 0.01 0.18 -0.04 3.95 4.10 2g99B1 SER 171 HB3 0.02 0.03 0.00 -0.04 3.93 3.94 2g99B1 ASP 172 H 0.02 0.25 -0.12 -0.55 8.40 8.01 2g99B1 ASP 172 HA -0.16 0.18 0.43 -0.75 4.63 4.33 2g99B1 ASP 172 HB2 -0.02 -0.22 -0.20 -0.04 2.71 2.22 2g99B1 ASP 172 HB3 -0.08 0.00 0.03 -0.04 2.70 2.60 2g99B1 PRO 173 HA -0.23 0.07 0.51 -0.51 4.44 4.28 2g99B1 PRO 173 HB2 -0.44 -0.02 0.01 -0.04 2.28 1.78 2g99B1 PRO 173 HB3 -0.35 -0.01 0.04 -0.04 2.02 1.66 2g99B1 PRO 173 HG2 -0.97 0.04 0.11 -0.04 2.03 1.17 2g99B1 PRO 173 HG3 -1.47 0.16 0.20 -0.04 2.03 0.88 2g99B1 PRO 173 HD2 -0.40 0.06 0.18 -0.04 3.68 3.48 2g99B1 PRO 173 HD3 -0.48 0.19 0.21 -0.04 3.65 3.53 2g99B1 VAL 174 H -0.06 0.43 0.13 -0.55 8.24 8.19 2g99B1 VAL 174 HA -0.14 0.22 0.84 -0.75 4.13 4.30 2g99B1 VAL 174 HB 0.04 -0.23 0.12 -0.04 2.12 2.01 2g99B1 VAL 174 HG13 0.03 0.01 -0.10 -0.04 0.97 0.87 2g99B1 VAL 174 HG23 0.08 0.03 -0.16 -0.04 0.95 0.86 2g99B1 SER 175 H -0.07 0.41 0.11 -0.55 8.46 8.36 2g99B1 SER 175 HA 0.05 0.11 0.53 -0.75 4.49 4.43 2g99B1 SER 175 HB2 0.10 0.19 -0.05 -0.04 3.95 4.14 2g99B1 SER 175 HB3 -0.04 -0.06 -0.08 -0.04 3.93 3.70 2g99B1 ALA 176 H 0.02 0.20 0.03 -0.55 8.40 8.10 2g99B1 ALA 176 HA 0.12 0.13 0.61 -0.75 4.34 4.45 2g99B1 ALA 176 HB3 -0.10 0.08 -0.07 -0.04 1.41 1.28 2g99B1 VAL 177 H 0.10 0.32 0.12 -0.55 8.24 8.23 2g99B1 VAL 177 HA 0.03 0.35 0.81 -0.75 4.13 4.57 2g99B1 VAL 177 HB -0.02 -0.02 -0.23 -0.04 2.12 1.80 2g99B1 VAL 177 HG13 0.03 0.01 -0.36 -0.04 0.97 0.61 2g99B1 VAL 177 HG23 0.11 -0.03 -0.43 -0.04 0.95 0.56 2g99B1 HIS 178 H 0.06 0.39 0.24 -0.55 8.41 8.56 2g99B1 HIS 178 HA 0.16 0.10 0.70 -0.75 4.63 4.83 2g99B1 HIS 178 HB2 0.10 0.16 -0.17 -0.04 3.26 3.32 2g99B1 HIS 178 HB3 0.06 -0.09 -0.01 -0.04 3.20 3.12 2g99B1 HIS 178 HD2 0.28 0.02 0.20 -0.04 6.97 7.41 2g99B1 HIS 178 HE1 0.29 0.04 0.04 -0.04 7.75 8.07 2g99B1 PHE 179 H 0.03 0.20 0.18 -0.55 8.34 8.20 2g99B1 PHE 179 HA 0.06 0.27 0.98 -0.75 4.62 5.17 2g99B1 PHE 179 HB2 -0.05 0.06 0.18 -0.04 3.15 3.31 2g99B1 PHE 179 HB3 -0.06 0.00 0.18 -0.04 3.06 3.14 2g99B1 PHE 179 HD2 0.06 0.12 -0.21 -0.04 7.28 7.21 2g99B1 PHE 179 HE2 0.07 0.04 -0.22 -0.04 7.38 7.22 2g99B1 PHE 179 HZ 0.06 0.00 -0.27 -0.04 7.32 7.07 2g99B1 ASN 180 H -0.13 0.30 0.26 -0.55 8.53 8.42 2g99B1 ASN 180 HA -0.58 0.17 0.57 -0.75 4.76 4.17 2g99B1 ASN 180 HB2 -0.71 0.06 0.20 -0.04 2.88 2.38 2g99B1 ASN 180 HB3 -1.85 0.08 0.08 -0.04 2.79 1.06 2g99B1 ASN 180 HD21 -0.10 -0.04 0.02 -0.04 7.03 6.86 2g99B1 ASN 180 HD22 -0.22 0.21 0.04 -0.04 7.74 7.72 2g99B1 ARG 181 H -0.14 0.20 0.15 -0.55 8.46 8.12 2g99B1 ARG 181 HA -0.02 0.19 0.37 -0.75 4.34 4.13 2g99B1 ARG 181 HB2 0.00 0.03 0.20 -0.04 1.90 2.08 2g99B1 ARG 181 HB3 0.02 0.07 0.16 -0.04 1.80 2.01 2g99B1 ARG 181 HG2 -0.04 -0.06 0.02 -0.04 1.67 1.55 2g99B1 ARG 181 HG3 -0.03 -0.05 -0.07 -0.04 1.67 1.48 2g99B1 ARG 181 HD2 -0.01 -0.01 0.09 -0.04 3.22 3.25 2g99B1 ARG 181 HD3 -0.00 -0.06 0.04 -0.04 3.22 3.15 2g99B1 ASP 182 H -0.08 -0.04 -0.25 -0.55 8.40 7.49 2g99B1 ASP 182 HA -0.03 0.31 1.02 -0.75 4.63 5.18 2g99B1 ASP 182 HB2 -0.02 0.06 0.16 -0.04 2.71 2.87 2g99B1 ASP 182 HB3 -0.03 0.06 0.01 -0.04 2.70 2.71 2g99B1 GLY 183 H -0.04 0.32 -0.12 -0.55 8.43 8.05 2g99B1 GLY 183 HA2 0.03 0.08 0.40 -0.51 4.01 4.01 2g99B1 GLY 183 HA3 -0.08 0.08 0.53 -0.51 4.01 4.03 2g99B1 SER 184 H -0.00 0.03 -0.27 -0.55 8.46 7.67 2g99B1 SER 184 HA 0.07 0.12 0.50 -0.75 4.49 4.42 2g99B1 SER 184 HB2 0.03 0.01 0.09 -0.04 3.95 4.05 2g99B1 SER 184 HB3 0.02 0.08 0.04 -0.04 3.93 4.02 2g99B1 LEU 185 H 0.02 -0.04 -0.07 -0.55 8.37 7.74 2g99B1 LEU 185 HA 0.12 0.35 1.19 -0.75 4.35 5.26 2g99B1 LEU 185 HB2 -0.18 -0.12 0.02 -0.04 1.64 1.32 2g99B1 LEU 185 HB3 0.16 0.10 0.04 -0.04 1.64 1.90 2g99B1 LEU 185 HG 0.00 -0.14 -0.20 -0.04 1.64 1.26 2g99B1 LEU 185 HD13 0.07 0.02 -0.07 -0.04 0.93 0.91 2g99B1 LEU 185 HD23 0.08 0.06 -0.13 -0.04 0.89 0.85 2g99B1 ILE 186 H 0.21 0.61 0.36 -0.55 8.25 8.87 2g99B1 ILE 186 HA 0.01 0.28 0.96 -0.75 4.18 4.67 2g99B1 ILE 186 HB 0.08 -0.04 -0.04 -0.04 1.89 1.86 2g99B1 ILE 186 HG12 -1.18 0.01 -0.18 -0.04 1.49 0.10 2g99B1 ILE 186 HG13 -0.09 -0.08 -0.48 -0.04 1.21 0.52 2g99B1 ILE 186 HG23 -0.16 -0.00 -0.28 -0.04 0.93 0.45 2g99B1 ILE 186 HD13 -0.14 0.01 -0.21 -0.04 0.88 0.50 2g99B1 VAL 187 H 0.14 0.62 0.32 -0.55 8.24 8.76 2g99B1 VAL 187 HA 0.03 0.36 1.09 -0.75 4.13 4.85 2g99B1 VAL 187 HB -0.91 -0.05 -0.12 -0.04 2.12 1.00 2g99B1 VAL 187 HG13 -0.22 0.02 -0.15 -0.04 0.97 0.57 2g99B1 VAL 187 HG23 -0.30 0.01 -0.23 -0.04 0.95 0.38 2g99B1 SER 188 H 0.17 0.55 0.32 -0.55 8.46 8.95 2g99B1 SER 188 HA 0.06 0.36 0.99 -0.75 4.49 5.14 2g99B1 SER 188 HB2 0.28 0.04 0.04 -0.04 3.95 4.27 2g99B1 SER 188 HB3 0.17 -0.06 -0.12 -0.04 3.93 3.88 2g99B1 SER 189 H -0.04 0.41 0.29 -0.55 8.46 8.58 2g99B1 SER 189 HA -0.11 0.35 0.98 -0.75 4.49 4.95 2g99B1 SER 189 HB2 -0.14 0.08 -0.11 -0.04 3.95 3.75 2g99B1 SER 189 HB3 -0.14 -0.02 -0.27 -0.04 3.93 3.46 2g99B1 SER 190 H -0.23 0.40 0.30 -0.55 8.46 8.38 2g99B1 SER 190 HA -0.20 0.09 0.86 -0.75 4.49 4.49 2g99B1 SER 190 HB2 -0.98 0.11 -0.23 -0.04 3.95 2.81 2g99B1 SER 190 HB3 -0.58 -0.03 -0.07 -0.04 3.93 3.22 2g99B1 TYR 191 H 0.11 0.56 0.16 -0.55 8.29 8.56 2g99B1 TYR 191 HA -0.11 0.01 0.50 -0.75 4.56 4.21 2g99B1 TYR 191 HB2 -0.18 0.02 0.10 -0.04 3.06 2.96 2g99B1 TYR 191 HB3 -0.12 0.06 0.08 -0.04 2.98 2.96 2g99B1 TYR 191 HD2 -0.16 0.06 -0.01 -0.04 7.15 7.00 2g99B1 TYR 191 HE2 -0.21 0.03 -0.07 -0.04 6.85 6.56 2g99B1 ASP 192 H -0.03 0.01 -0.49 -0.55 8.40 7.34 2g99B1 ASP 192 HA 0.01 0.20 0.44 -0.75 4.63 4.53 2g99B1 ASP 192 HB2 0.03 0.11 0.06 -0.04 2.71 2.86 2g99B1 ASP 192 HB3 0.02 -0.06 -0.12 -0.04 2.70 2.50 2g99B1 GLY 193 H -0.07 0.18 -0.61 -0.55 8.43 7.39 2g99B1 GLY 193 HA2 -0.07 0.19 0.13 -0.51 4.01 3.74 2g99B1 GLY 193 HA3 -0.04 0.18 0.32 -0.51 4.01 3.96 2g99B1 LEU 194 H -0.02 -0.06 -0.24 -0.55 8.37 7.50 2g99B1 LEU 194 HA -0.08 0.35 1.00 -0.75 4.35 4.88 2g99B1 LEU 194 HB2 0.17 -0.13 -0.08 -0.04 1.64 1.56 2g99B1 LEU 194 HB3 0.09 0.02 -0.20 -0.04 1.64 1.51 2g99B1 LEU 194 HG -0.06 0.04 -0.06 -0.04 1.64 1.52 2g99B1 LEU 194 HD13 -0.04 0.06 -0.20 -0.04 0.93 0.71 2g99B1 LEU 194 HD23 0.01 -0.01 -0.08 -0.04 0.89 0.76 2g99B1 CYS 195 H -0.13 0.44 0.28 -0.55 8.50 8.55 2g99B1 CYS 195 HA -0.03 0.32 0.94 -0.75 4.58 5.06 2g99B1 CYS 195 HB2 -0.30 -0.04 0.10 -0.04 2.97 2.69 2g99B1 CYS 195 HB3 -0.21 -0.04 -0.07 -0.04 2.97 2.61 2g99B1 ARG 196 H 0.06 0.51 0.27 -0.55 8.46 8.75 2g99B1 ARG 196 HA -0.28 0.29 1.09 -0.75 4.34 4.70 2g99B1 ARG 196 HB2 0.01 -0.06 -0.03 -0.04 1.90 1.78 2g99B1 ARG 196 HB3 -0.98 0.01 -0.06 -0.04 1.80 0.74 2g99B1 ARG 196 HG2 -0.34 0.06 0.09 -0.04 1.67 1.44 2g99B1 ARG 196 HG3 -0.13 -0.10 -0.46 -0.04 1.67 0.94 2g99B1 ARG 196 HD2 -0.38 0.17 -0.05 -0.04 3.22 2.91 2g99B1 ARG 196 HD3 -0.62 -0.04 -0.05 -0.04 3.22 2.47 2g99B1 ILE 197 H -0.37 0.61 0.31 -0.55 8.25 8.25 2g99B1 ILE 197 HA -0.10 0.23 0.97 -0.75 4.18 4.53 2g99B1 ILE 197 HB -0.16 -0.06 0.10 -0.04 1.89 1.72 2g99B1 ILE 197 HG12 -0.23 0.00 -0.17 -0.04 1.49 1.05 2g99B1 ILE 197 HG13 -0.28 0.02 -0.14 -0.04 1.21 0.76 2g99B1 ILE 197 HG23 -0.05 -0.00 -0.14 -0.04 0.93 0.69 2g99B1 ILE 197 HD13 -0.50 0.00 -0.19 -0.04 0.88 0.15 2g99B1 TRP 198 H 0.26 0.81 0.41 -0.55 7.97 8.91 2g99B1 TRP 198 HA -0.02 0.21 1.12 -0.75 4.62 5.18 2g99B1 TRP 198 HB2 -0.03 -0.10 -0.13 -0.04 3.23 2.93 2g99B1 TRP 198 HB3 -0.03 0.08 -0.27 -0.04 3.23 2.97 2g99B1 TRP 198 HD1 -0.06 0.13 -0.27 -0.04 7.22 6.98 2g99B1 TRP 198 HE1 -0.06 -0.03 -0.17 -0.04 10.20 9.91 2g99B1 TRP 198 HE3 -0.05 0.09 -0.56 -0.04 7.59 7.03 2g99B1 TRP 198 HZ2 -0.30 0.10 -0.05 -0.04 7.44 7.15 2g99B1 TRP 198 HZ3 -0.07 0.06 -0.07 -0.04 7.13 7.01 2g99B1 TRP 198 HH2 -0.13 0.16 -0.19 -0.04 7.19 6.99 2g99B1 ASP 199 H 0.19 0.69 0.21 -0.55 8.40 8.94 2g99B1 ASP 199 HA 0.11 0.19 0.80 -0.75 4.63 4.97 2g99B1 ASP 199 HB2 0.07 0.08 0.11 -0.04 2.71 2.92 2g99B1 ASP 199 HB3 0.09 -0.07 0.23 -0.04 2.70 2.91 2g99B1 THR 200 H 0.13 0.63 0.23 -0.55 8.28 8.72 2g99B1 THR 200 HA 0.13 0.03 0.18 -0.75 4.39 3.98 2g99B1 THR 200 HB 0.14 -0.07 0.13 -0.04 4.32 4.48 2g99B1 THR 200 HG23 0.23 -0.00 -0.18 -0.04 1.22 1.23 2g99B1 ALA 201 H 0.08 0.11 -0.05 -0.55 8.40 7.98 2g99B1 ALA 201 HA 0.05 0.08 0.33 -0.75 4.34 4.04 2g99B1 ALA 201 HB3 0.04 -0.00 0.05 -0.04 1.41 1.45 2g99B1 SER 202 H 0.06 0.00 -0.24 -0.55 8.46 7.74 2g99B1 SER 202 HA 0.03 0.24 0.80 -0.75 4.49 4.81 2g99B1 SER 202 HB2 0.04 0.05 0.06 -0.04 3.95 4.06 2g99B1 SER 202 HB3 0.04 -0.01 0.01 -0.04 3.93 3.93 2g99B1 GLY 203 H 0.09 0.62 -0.03 -0.55 8.43 8.57 2g99B1 GLY 203 HA2 0.08 -0.01 0.19 -0.51 4.01 3.76 2g99B1 GLY 203 HA3 0.03 0.10 0.44 -0.51 4.01 4.07 2g99B1 GLN 204 H 0.13 -0.04 -0.26 -0.55 8.47 7.75 2g99B1 GLN 204 HA 0.18 0.18 0.61 -0.75 4.36 4.57 2g99B1 GLN 204 HB2 0.06 -0.11 0.01 -0.04 2.15 2.06 2g99B1 GLN 204 HB3 0.03 0.10 -0.06 -0.04 2.02 2.05 2g99B1 GLN 204 HG2 0.06 -0.02 -0.18 -0.04 2.40 2.21 2g99B1 GLN 204 HG3 0.04 -0.00 -0.05 -0.04 2.39 2.33 2g99B1 GLN 204 HE21 0.04 -0.00 -0.06 -0.04 6.97 6.90 2g99B1 GLN 204 HE22 0.04 0.18 -0.11 -0.04 7.69 7.76 2g99B1 CYS 205 H -0.01 0.19 0.13 -0.55 8.50 8.26 2g99B1 CYS 205 HA -0.66 0.09 0.67 -0.75 4.58 3.92 2g99B1 CYS 205 HB2 -1.48 0.04 0.03 -0.04 2.97 1.52 2g99B1 CYS 205 HB3 -0.41 0.00 0.13 -0.04 2.97 2.65 2g99B1 LEU 206 H -0.25 0.53 0.41 -0.55 8.37 8.52 2g99B1 LEU 206 HA -0.09 0.13 0.64 -0.75 4.35 4.28 2g99B1 LEU 206 HB2 -0.05 -0.02 -0.05 -0.04 1.64 1.48 2g99B1 LEU 206 HB3 -0.01 -0.01 0.04 -0.04 1.64 1.62 2g99B1 LEU 206 HG -0.00 0.02 -0.01 -0.04 1.64 1.61 2g99B1 LEU 206 HD13 0.04 -0.02 -0.10 -0.04 0.93 0.81 2g99B1 LEU 206 HD23 0.00 -0.00 -0.18 -0.04 0.89 0.67 2g99B1 LYS 207 H -0.31 0.30 0.16 -0.55 8.42 8.01 2g99B1 LYS 207 HA -0.13 0.15 0.50 -0.75 4.32 4.09 2g99B1 LYS 207 HB2 -0.01 0.10 -0.32 -0.04 1.87 1.59 2g99B1 LYS 207 HB3 -0.07 -0.16 -0.07 -0.04 1.79 1.45 2g99B1 LYS 207 HG2 -0.03 -0.07 -0.15 -0.04 1.46 1.17 2g99B1 LYS 207 HG3 -0.06 -0.06 0.11 -0.04 1.46 1.41 2g99B1 LYS 207 HD2 0.12 0.09 0.05 -0.04 1.69 1.91 2g99B1 LYS 207 HD3 0.03 0.01 0.01 -0.04 1.68 1.70 2g99B1 LYS 207 HE2 -0.01 -0.02 0.10 -0.04 2.99 3.03 2g99B1 LYS 207 HE3 0.02 0.04 0.03 -0.04 2.99 3.04 2g99B1 THR 208 H -0.13 0.29 0.12 -0.55 8.28 8.00 2g99B1 THR 208 HA -0.22 0.26 1.09 -0.75 4.39 4.77 2g99B1 THR 208 HB -0.14 -0.03 0.08 -0.04 4.32 4.20 2g99B1 THR 208 HG23 -0.12 0.01 -0.20 -0.04 1.22 0.86 2g99B1 LEU 209 H -0.22 0.57 0.27 -0.55 8.37 8.43 2g99B1 LEU 209 HA -0.26 0.11 0.71 -0.75 4.35 4.15 2g99B1 LEU 209 HB2 -0.45 -0.05 0.13 -0.04 1.64 1.22 2g99B1 LEU 209 HB3 -0.88 0.05 -0.05 -0.04 1.64 0.71 2g99B1 LEU 209 HG -0.25 -0.02 -0.13 -0.04 1.64 1.19 2g99B1 LEU 209 HD13 -0.72 -0.03 -0.16 -0.04 0.93 -0.01 2g99B1 LEU 209 HD23 -0.22 0.02 -0.09 -0.04 0.89 0.56 2g99B1 ILE 210 H -0.19 0.20 0.20 -0.55 8.25 7.90 2g99B1 ILE 210 HA -0.12 0.26 1.02 -0.75 4.18 4.59 2g99B1 ILE 210 HB -0.08 0.03 -0.16 -0.04 1.89 1.64 2g99B1 ILE 210 HG12 -0.03 -0.03 -0.10 -0.04 1.49 1.29 2g99B1 ILE 210 HG13 -0.03 0.01 -0.23 -0.04 1.21 0.92 2g99B1 ILE 210 HG23 -0.04 -0.01 -0.03 -0.04 0.93 0.81 2g99B1 ILE 210 HD13 -0.04 0.02 0.03 -0.04 0.88 0.85 2g99B1 ASP 211 H -0.04 0.36 0.19 -0.55 8.40 8.35 2g99B1 ASP 211 HA 0.05 0.15 0.83 -0.75 4.63 4.91 2g99B1 ASP 211 HB2 0.05 0.07 -0.14 -0.04 2.71 2.65 2g99B1 ASP 211 HB3 0.01 0.07 0.05 -0.04 2.70 2.78 2g99B1 ASP 212 H 0.03 0.15 0.14 -0.55 8.40 8.18 2g99B1 ASP 212 HA 0.01 0.17 0.49 -0.75 4.63 4.54 2g99B1 ASP 212 HB2 0.02 -0.04 0.13 -0.04 2.71 2.77 2g99B1 ASP 212 HB3 0.01 0.05 0.03 -0.04 2.70 2.76 2g99B1 ASP 213 H 0.02 0.06 -0.01 -0.55 8.40 7.92 2g99B1 ASP 213 HA 0.00 0.15 0.52 -0.75 4.63 4.54 2g99B1 ASP 213 HB2 0.00 0.04 0.08 -0.04 2.71 2.80 2g99B1 ASP 213 HB3 0.01 -0.03 0.06 -0.04 2.70 2.69 2g99B1 ASN 214 H 0.00 -0.11 -0.92 -0.55 8.53 6.96 2g99B1 ASN 214 HA -0.01 -0.01 0.21 -0.75 4.76 4.20 2g99B1 ASN 214 HB2 -0.01 0.07 -0.18 -0.04 2.88 2.72 2g99B1 ASN 214 HB3 -0.01 0.01 0.03 -0.04 2.79 2.77 2g99B1 ASN 214 HD21 -0.02 -0.07 0.01 -0.04 7.03 6.91 2g99B1 ASN 214 HD22 -0.02 0.05 0.06 -0.04 7.74 7.80 2g99B1 PRO 215 HA -0.03 0.17 0.45 -0.51 4.44 4.52 2g99B1 PRO 215 HB2 -0.03 -0.04 -0.12 -0.04 2.28 2.05 2g99B1 PRO 215 HB3 -0.01 0.03 -0.05 -0.04 2.02 1.94 2g99B1 PRO 215 HG2 -0.00 0.02 -0.12 -0.04 2.03 1.89 2g99B1 PRO 215 HG3 0.01 -0.01 -0.10 -0.04 2.03 1.89 2g99B1 PRO 215 HD2 0.01 0.01 -0.03 -0.04 3.68 3.62 2g99B1 PRO 215 HD3 0.01 0.00 -0.34 -0.04 3.65 3.28 2g99B1 PRO 216 HA -0.14 0.04 0.45 -0.51 4.44 4.28 2g99B1 PRO 216 HB2 -0.33 -0.11 0.02 -0.04 2.28 1.82 2g99B1 PRO 216 HB3 -0.39 -0.02 0.12 -0.04 2.02 1.69 2g99B1 PRO 216 HG2 -0.01 0.02 0.12 -0.04 2.03 2.12 2g99B1 PRO 216 HG3 0.00 0.21 0.16 -0.04 2.03 2.35 2g99B1 PRO 216 HD2 -0.06 0.00 0.19 -0.04 3.68 3.77 2g99B1 PRO 216 HD3 -0.03 0.20 0.24 -0.04 3.65 4.02 2g99B1 VAL 217 H -0.20 0.47 0.21 -0.55 8.24 8.17 2g99B1 VAL 217 HA -0.10 0.18 0.84 -0.75 4.13 4.29 2g99B1 VAL 217 HB -0.15 -0.20 0.16 -0.04 2.12 1.89 2g99B1 VAL 217 HG13 -0.09 -0.03 -0.16 -0.04 0.97 0.65 2g99B1 VAL 217 HG23 -0.10 -0.01 -0.29 -0.04 0.95 0.51 2g99B1 SER 218 H -0.10 0.41 0.09 -0.55 8.46 8.31 2g99B1 SER 218 HA -0.23 0.08 0.46 -0.75 4.49 4.05 2g99B1 SER 218 HB2 -0.00 -0.09 -0.03 -0.04 3.95 3.79 2g99B1 SER 218 HB3 -0.18 -0.01 -0.23 -0.04 3.93 3.47 2g99B1 PHE 219 H 0.03 0.36 -0.01 -0.55 8.34 8.16 2g99B1 PHE 219 HA -0.05 0.10 0.33 -0.75 4.62 4.24 2g99B1 PHE 219 HB2 -0.10 0.20 -0.30 -0.04 3.15 2.92 2g99B1 PHE 219 HB3 -0.03 -0.09 -0.12 -0.04 3.06 2.79 2g99B1 PHE 219 HD2 -0.11 0.03 -0.11 -0.04 7.28 7.05 2g99B1 PHE 219 HE2 0.10 0.03 0.00 -0.04 7.38 7.47 2g99B1 PHE 219 HZ 0.14 0.04 0.06 -0.04 7.32 7.52 2g99B1 VAL 220 H -1.13 0.30 0.09 -0.55 8.24 6.95 2g99B1 VAL 220 HA -0.34 0.43 0.80 -0.75 4.13 4.26 2g99B1 VAL 220 HB -0.20 0.00 -0.42 -0.04 2.12 1.46 2g99B1 VAL 220 HG13 -0.20 -0.02 -0.56 -0.04 0.97 0.15 2g99B1 VAL 220 HG23 -0.18 -0.01 -0.20 -0.04 0.95 0.53 2g99B1 LYS 221 H -0.16 0.40 0.19 -0.55 8.42 8.29 2g99B1 LYS 221 HA -0.16 0.03 0.49 -0.75 4.32 3.94 2g99B1 LYS 221 HB2 -0.29 0.14 -0.13 -0.04 1.87 1.54 2g99B1 LYS 221 HB3 0.10 -0.04 -0.08 -0.04 1.79 1.73 2g99B1 LYS 221 HG2 0.10 0.28 -0.12 -0.04 1.46 1.68 2g99B1 LYS 221 HG3 -0.99 -0.06 0.12 -0.04 1.46 0.49 2g99B1 LYS 221 HD2 0.36 0.03 0.08 -0.04 1.69 2.12 2g99B1 LYS 221 HD3 0.38 -0.04 0.02 -0.04 1.68 2.00 2g99B1 LYS 221 HE2 0.26 -0.00 0.07 -0.04 2.99 3.27 2g99B1 LYS 221 HE3 0.02 -0.01 0.09 -0.04 2.99 3.06 2g99B1 PHE 222 H 0.73 0.14 0.08 -0.55 8.34 8.74 2g99B1 PHE 222 HA 0.22 0.17 0.64 -0.75 4.62 4.89 2g99B1 PHE 222 HB2 0.37 0.07 0.06 -0.04 3.15 3.61 2g99B1 PHE 222 HB3 0.16 0.05 0.07 -0.04 3.06 3.30 2g99B1 PHE 222 HD2 0.15 0.10 -0.26 -0.04 7.28 7.23 2g99B1 PHE 222 HE2 -0.26 0.04 -0.23 -0.04 7.38 6.89 2g99B1 PHE 222 HZ -0.19 -0.01 -0.25 -0.04 7.32 6.83 2g99B1 SER 223 H 0.31 0.38 0.18 -0.55 8.46 8.78 2g99B1 SER 223 HA -1.19 0.20 0.48 -0.75 4.49 3.23 2g99B1 SER 223 HB2 -0.37 0.09 0.09 -0.04 3.95 3.73 2g99B1 SER 223 HB3 0.16 0.04 -0.04 -0.04 3.93 4.05 2g99B1 PRO 224 HA 0.00 0.14 0.46 -0.51 4.44 4.54 2g99B1 PRO 224 HB2 -0.02 0.07 0.02 -0.04 2.28 2.32 2g99B1 PRO 224 HB3 -0.01 0.09 0.13 -0.04 2.02 2.19 2g99B1 PRO 224 HG2 -0.09 -0.05 0.09 -0.04 2.03 1.94 2g99B1 PRO 224 HG3 -0.06 0.11 0.05 -0.04 2.03 2.09 2g99B1 PRO 224 HD2 -0.97 0.04 0.21 -0.04 3.68 2.92 2g99B1 PRO 224 HD3 -0.60 0.19 0.18 -0.04 3.65 3.38 2g99B1 ASN 225 H -0.05 0.06 -0.24 -0.55 8.53 7.76 2g99B1 ASN 225 HA -0.02 0.22 0.56 -0.75 4.76 4.77 2g99B1 ASN 225 HB2 -0.04 0.08 0.13 -0.04 2.88 3.01 2g99B1 ASN 225 HB3 -0.01 0.05 0.06 -0.04 2.79 2.86 2g99B1 ASN 225 HD21 -0.46 0.00 -0.05 -0.04 7.03 6.49 2g99B1 ASN 225 HD22 -0.06 0.10 -0.01 -0.04 7.74 7.73 2g99B1 GLY 226 H 0.03 0.45 -0.49 -0.55 8.43 7.88 2g99B1 GLY 226 HA2 0.11 0.05 0.35 -0.51 4.01 4.01 2g99B1 GLY 226 HA3 -0.03 0.04 0.41 -0.51 4.01 3.92 2g99B1 LYS 227 H -0.12 -0.01 -0.51 -0.55 8.42 7.22 2g99B1 LYS 227 HA -0.10 0.19 0.72 -0.75 4.32 4.37 2g99B1 LYS 227 HB2 -0.75 -0.05 -0.01 -0.04 1.87 1.02 2g99B1 LYS 227 HB3 -0.51 -0.01 0.06 -0.04 1.79 1.28 2g99B1 LYS 227 HG2 -0.15 0.02 -0.03 -0.04 1.46 1.26 2g99B1 LYS 227 HG3 -0.15 0.15 -0.08 -0.04 1.46 1.33 2g99B1 LYS 227 HD2 -0.20 -0.02 -0.02 -0.04 1.69 1.41 2g99B1 LYS 227 HD3 -0.19 -0.01 -0.01 -0.04 1.68 1.43 2g99B1 LYS 227 HE2 -0.07 -0.00 -0.01 -0.04 2.99 2.87 2g99B1 LYS 227 HE3 -0.07 0.04 0.00 -0.04 2.99 2.93 2g99B1 TYR 228 H 0.10 -0.08 -0.02 -0.55 8.29 7.73 2g99B1 TYR 228 HA 0.25 0.33 1.15 -0.75 4.56 5.53 2g99B1 TYR 228 HB2 0.22 -0.11 -0.03 -0.04 3.06 3.10 2g99B1 TYR 228 HB3 0.24 0.08 0.06 -0.04 2.98 3.33 2g99B1 TYR 228 HD2 0.09 0.02 -0.09 -0.04 7.15 7.13 2g99B1 TYR 228 HE2 0.04 0.03 -0.07 -0.04 6.85 6.80 2g99B1 ILE 229 H 0.47 0.53 0.31 -0.55 8.25 9.01 2g99B1 ILE 229 HA 0.21 0.24 0.85 -0.75 4.18 4.72 2g99B1 ILE 229 HB 0.25 -0.06 -0.01 -0.04 1.89 2.03 2g99B1 ILE 229 HG12 0.28 -0.06 -0.63 -0.04 1.49 1.04 2g99B1 ILE 229 HG13 -0.23 -0.00 -0.22 -0.04 1.21 0.71 2g99B1 ILE 229 HG23 -0.06 0.00 -0.33 -0.04 0.93 0.49 2g99B1 ILE 229 HD13 -1.01 0.01 -0.19 -0.04 0.88 -0.35 2g99B1 LEU 230 H 0.27 0.74 0.24 -0.55 8.37 9.07 2g99B1 LEU 230 HA 0.20 0.24 0.88 -0.75 4.35 4.91 2g99B1 LEU 230 HB2 0.15 -0.06 -0.06 -0.04 1.64 1.63 2g99B1 LEU 230 HB3 0.17 0.00 0.03 -0.04 1.64 1.80 2g99B1 LEU 230 HG -0.18 -0.01 -0.16 -0.04 1.64 1.25 2g99B1 LEU 230 HD13 -0.54 -0.00 -0.25 -0.04 0.93 0.09 2g99B1 LEU 230 HD23 0.07 0.02 -0.36 -0.04 0.89 0.58 2g99B1 ALA 231 H 0.21 0.65 0.34 -0.55 8.40 9.05 2g99B1 ALA 231 HA 0.03 0.32 1.10 -0.75 4.34 5.04 2g99B1 ALA 231 HB3 0.10 -0.01 -0.08 -0.04 1.41 1.38 2g99B1 ALA 232 H 0.11 0.64 0.29 -0.55 8.40 8.89 2g99B1 ALA 232 HA 0.09 0.28 1.07 -0.75 4.34 5.02 2g99B1 ALA 232 HB3 0.15 -0.02 -0.01 -0.04 1.41 1.49 2g99B1 THR 233 H 0.04 0.64 0.36 -0.55 8.28 8.77 2g99B1 THR 233 HA -0.05 0.24 1.03 -0.75 4.39 4.85 2g99B1 THR 233 HB -0.02 0.03 -0.11 -0.04 4.32 4.19 2g99B1 THR 233 HG23 0.02 0.01 -0.31 -0.04 1.22 0.90 2g99B1 LEU 234 H -0.09 0.59 0.10 -0.55 8.37 8.42 2g99B1 LEU 234 HA -0.04 0.14 0.49 -0.75 4.35 4.18 2g99B1 LEU 234 HB2 -0.08 0.05 0.16 -0.04 1.64 1.72 2g99B1 LEU 234 HB3 -0.05 0.07 0.13 -0.04 1.64 1.75 2g99B1 LEU 234 HG -0.20 -0.01 -0.19 -0.04 1.64 1.20 2g99B1 LEU 234 HD13 -0.13 0.02 -0.19 -0.04 0.93 0.59 2g99B1 LEU 234 HD23 -0.03 -0.04 -0.46 -0.04 0.89 0.32 2g99B1 ASP 235 H -0.03 0.42 -0.45 -0.55 8.40 7.79 2g99B1 ASP 235 HA -0.04 0.17 0.78 -0.75 4.63 4.79 2g99B1 ASP 235 HB2 -0.02 0.00 0.14 -0.04 2.71 2.79 2g99B1 ASP 235 HB3 -0.02 0.05 -0.10 -0.04 2.70 2.59 2g99B1 ASN 236 H -0.08 0.64 0.16 -0.55 8.53 8.70 2g99B1 ASN 236 HA -0.32 -0.11 0.32 -0.75 4.76 3.89 2g99B1 ASN 236 HB2 -0.09 0.19 0.16 -0.04 2.88 3.10 2g99B1 ASN 236 HB3 -0.22 0.19 0.24 -0.04 2.79 2.95 2g99B1 ASN 236 HD21 -0.04 -0.00 -0.15 -0.04 7.03 6.79 2g99B1 ASN 236 HD22 -0.05 0.17 -0.27 -0.04 7.74 7.55 2g99B1 THR 237 H -0.02 0.24 0.01 -0.55 8.28 7.97 2g99B1 THR 237 HA 0.07 0.27 1.02 -0.75 4.39 5.00 2g99B1 THR 237 HB 0.01 -0.10 -0.10 -0.04 4.32 4.10 2g99B1 THR 237 HG23 -0.03 -0.00 -0.16 -0.04 1.22 0.99 2g99B1 LEU 238 H -0.03 0.57 0.34 -0.55 8.37 8.70 2g99B1 LEU 238 HA 0.04 0.27 0.97 -0.75 4.35 4.87 2g99B1 LEU 238 HB2 -0.32 0.03 0.11 -0.04 1.64 1.42 2g99B1 LEU 238 HB3 -0.14 -0.02 -0.09 -0.04 1.64 1.34 2g99B1 LEU 238 HG 0.00 -0.03 -0.27 -0.04 1.64 1.30 2g99B1 LEU 238 HD13 -0.55 -0.00 -0.20 -0.04 0.93 0.14 2g99B1 LEU 238 HD23 0.03 0.02 -0.19 -0.04 0.89 0.71 2g99B1 LYS 239 H 0.10 0.64 0.34 -0.55 8.42 8.95 2g99B1 LYS 239 HA -0.11 0.27 1.07 -0.75 4.32 4.79 2g99B1 LYS 239 HB2 0.28 -0.02 0.02 -0.04 1.87 2.11 2g99B1 LYS 239 HB3 -0.52 0.01 -0.03 -0.04 1.79 1.21 2g99B1 LYS 239 HG2 -0.16 0.06 -0.04 -0.04 1.46 1.27 2g99B1 LYS 239 HG3 0.03 -0.06 -0.42 -0.04 1.46 0.96 2g99B1 LYS 239 HD2 0.37 -0.00 -0.14 -0.04 1.69 1.87 2g99B1 LYS 239 HD3 -0.26 -0.01 -0.10 -0.04 1.68 1.27 2g99B1 LYS 239 HE2 0.05 -0.01 -0.14 -0.04 2.99 2.85 2g99B1 LYS 239 HE3 0.08 -0.01 -0.09 -0.04 2.99 2.93 2g99B1 LEU 240 H -0.16 0.61 0.28 -0.55 8.37 8.55 2g99B1 LEU 240 HA 0.17 0.20 0.91 -0.75 4.35 4.88 2g99B1 LEU 240 HB2 0.18 0.03 -0.02 -0.04 1.64 1.78 2g99B1 LEU 240 HB3 -0.05 -0.10 0.21 -0.04 1.64 1.66 2g99B1 LEU 240 HG -0.08 -0.00 -0.19 -0.04 1.64 1.32 2g99B1 LEU 240 HD13 0.35 -0.00 -0.15 -0.04 0.93 1.08 2g99B1 LEU 240 HD23 -0.12 0.01 -0.09 -0.04 0.89 0.64 2g99B1 TRP 241 H 0.42 0.82 0.36 -0.55 7.97 9.03 2g99B1 TRP 241 HA 0.06 0.25 1.15 -0.75 4.62 5.32 2g99B1 TRP 241 HB2 0.11 -0.02 0.01 -0.04 3.23 3.29 2g99B1 TRP 241 HB3 0.10 -0.00 -0.25 -0.04 3.23 3.03 2g99B1 TRP 241 HD1 0.03 0.12 -0.18 -0.04 7.22 7.15 2g99B1 TRP 241 HE1 -0.01 0.03 -0.16 -0.04 10.20 10.02 2g99B1 TRP 241 HE3 0.03 -0.02 -0.56 -0.04 7.59 7.00 2g99B1 TRP 241 HZ2 -0.01 0.01 -0.14 -0.04 7.44 7.25 2g99B1 TRP 241 HZ3 0.01 0.20 -0.24 -0.04 7.13 7.06 2g99B1 TRP 241 HH2 -0.01 0.05 -0.06 -0.04 7.19 7.14 2g99B1 ASP 242 H 0.30 0.89 0.27 -0.55 8.40 9.32 2g99B1 ASP 242 HA 0.30 0.23 0.84 -0.75 4.63 5.25 2g99B1 ASP 242 HB2 0.22 0.07 0.09 -0.04 2.71 3.05 2g99B1 ASP 242 HB3 0.15 -0.03 0.27 -0.04 2.70 3.05 2g99B1 TYR 243 H 0.20 0.32 -0.04 -0.55 8.29 8.22 2g99B1 TYR 243 HA 0.11 0.08 0.32 -0.75 4.56 4.32 2g99B1 TYR 243 HB2 -0.00 0.03 -0.07 -0.04 3.06 2.98 2g99B1 TYR 243 HB3 0.05 -0.01 -0.10 -0.04 2.98 2.89 2g99B1 TYR 243 HD2 0.11 -0.01 -0.36 -0.04 7.15 6.85 2g99B1 TYR 243 HE2 0.23 0.03 -0.24 -0.04 6.85 6.82 2g99B1 SER 244 H -0.39 0.09 -0.25 -0.55 8.46 7.36 2g99B1 SER 244 HA 0.02 0.15 0.47 -0.75 4.49 4.37 2g99B1 SER 244 HB2 -0.07 0.06 0.02 -0.04 3.95 3.92 2g99B1 SER 244 HB3 -0.28 0.00 0.07 -0.04 3.93 3.68 2g99B1 LYS 245 H 0.01 0.02 -0.14 -0.55 8.42 7.74 2g99B1 LYS 245 HA 0.03 0.19 0.62 -0.75 4.32 4.40 2g99B1 LYS 245 HB2 0.06 -0.05 0.04 -0.04 1.87 1.88 2g99B1 LYS 245 HB3 0.04 0.05 0.06 -0.04 1.79 1.90 2g99B1 LYS 245 HG2 0.01 0.06 -0.05 -0.04 1.46 1.44 2g99B1 LYS 245 HG3 -0.00 -0.11 -0.03 -0.04 1.46 1.28 2g99B1 LYS 245 HD2 0.04 -0.02 -0.00 -0.04 1.69 1.66 2g99B1 LYS 245 HD3 0.02 0.04 -0.01 -0.04 1.68 1.69 2g99B1 LYS 245 HE2 0.01 0.02 -0.02 -0.04 2.99 2.96 2g99B1 LYS 245 HE3 0.01 -0.03 -0.02 -0.04 2.99 2.91 2g99B1 GLY 246 H 0.12 0.11 -0.31 -0.55 8.43 7.82 2g99B1 GLY 246 HA2 0.19 -0.05 0.23 -0.51 4.01 3.86 2g99B1 GLY 246 HA3 0.11 0.09 0.38 -0.51 4.01 4.08 2g99B1 LYS 247 H 0.25 0.24 -0.02 -0.55 8.42 8.34 2g99B1 LYS 247 HA 0.17 0.24 0.96 -0.75 4.32 4.93 2g99B1 LYS 247 HB2 0.08 -0.11 -0.04 -0.04 1.87 1.76 2g99B1 LYS 247 HB3 0.00 0.05 -0.17 -0.04 1.79 1.64 2g99B1 LYS 247 HG2 0.03 -0.03 -0.06 -0.04 1.46 1.35 2g99B1 LYS 247 HG3 0.03 0.02 0.01 -0.04 1.46 1.48 2g99B1 LYS 247 HD2 0.11 0.23 -0.56 -0.04 1.69 1.43 2g99B1 LYS 247 HD3 0.07 0.01 -0.32 -0.04 1.68 1.40 2g99B1 LYS 247 HE2 0.04 -0.04 -0.01 -0.04 2.99 2.94 2g99B1 LYS 247 HE3 0.05 0.06 -0.00 -0.04 2.99 3.05 2g99B1 CYS 248 H -0.29 0.23 0.13 -0.55 8.50 8.01 2g99B1 CYS 248 HA -0.95 0.09 0.74 -0.75 4.58 3.71 2g99B1 CYS 248 HB2 -1.89 -0.00 0.01 -0.04 2.97 1.04 2g99B1 CYS 248 HB3 -0.59 0.01 0.12 -0.04 2.97 2.48 2g99B1 LEU 249 H -0.30 0.58 0.39 -0.55 8.37 8.49 2g99B1 LEU 249 HA -0.16 0.18 0.83 -0.75 4.35 4.43 2g99B1 LEU 249 HB2 -0.20 -0.00 0.07 -0.04 1.64 1.48 2g99B1 LEU 249 HB3 -0.16 0.01 -0.01 -0.04 1.64 1.44 2g99B1 LEU 249 HG -0.06 0.03 -0.06 -0.04 1.64 1.51 2g99B1 LEU 249 HD13 -0.02 -0.03 -0.32 -0.04 0.93 0.52 2g99B1 LEU 249 HD23 -0.11 -0.02 -0.09 -0.04 0.89 0.62 2g99B1 LYS 250 H -0.28 0.21 0.30 -0.55 8.42 8.09 2g99B1 LYS 250 HA -0.31 0.25 0.86 -0.75 4.32 4.37 2g99B1 LYS 250 HB2 -0.15 -0.16 0.03 -0.04 1.87 1.54 2g99B1 LYS 250 HB3 -0.63 0.09 0.02 -0.04 1.79 1.23 2g99B1 LYS 250 HG2 -0.15 -0.19 -0.42 -0.04 1.46 0.66 2g99B1 LYS 250 HG3 -0.02 0.08 -0.04 -0.04 1.46 1.44 2g99B1 LYS 250 HD2 -0.14 0.09 0.05 -0.04 1.69 1.65 2g99B1 LYS 250 HD3 -0.17 0.22 0.15 -0.04 1.68 1.84 2g99B1 LYS 250 HE2 -0.09 -0.10 -0.04 -0.04 2.99 2.72 2g99B1 LYS 250 HE3 -0.04 -0.09 0.05 -0.04 2.99 2.86 2g99B1 THR 251 H -0.54 0.34 0.17 -0.55 8.28 7.69 2g99B1 THR 251 HA -0.35 0.24 1.01 -0.75 4.39 4.54 2g99B1 THR 251 HB -0.25 -0.00 0.07 -0.04 4.32 4.10 2g99B1 THR 251 HG23 -0.15 0.00 -0.11 -0.04 1.22 0.92 2g99B1 TYR 252 H -0.23 0.75 0.31 -0.55 8.29 8.58 2g99B1 TYR 252 HA -0.40 0.25 1.06 -0.75 4.56 4.72 2g99B1 TYR 252 HB2 -1.17 -0.08 0.04 -0.04 3.06 1.81 2g99B1 TYR 252 HB3 -2.35 0.03 -0.05 -0.04 2.98 0.57 2g99B1 TYR 252 HD2 -0.37 0.04 -0.24 -0.04 7.15 6.54 2g99B1 TYR 252 HE2 -0.10 0.02 -0.20 -0.04 6.85 6.53 2g99B1 THR 253 H 0.08 0.30 0.20 -0.55 8.28 8.30 2g99B1 THR 253 HA 0.26 0.21 0.93 -0.75 4.39 5.03 2g99B1 THR 253 HB 0.09 -0.02 0.22 -0.04 4.32 4.56 2g99B1 THR 253 HG23 -0.01 0.01 -0.19 -0.04 1.22 0.98 2g99B1 GLY 254 H 0.18 0.30 0.18 -0.55 8.43 8.55 2g99B1 GLY 254 HA2 0.15 0.03 0.37 -0.51 4.01 4.04 2g99B1 GLY 254 HA3 0.27 0.19 0.87 -0.51 4.01 4.83 2g99B1 HIS 255 H 0.55 0.08 -0.15 -0.55 8.41 8.34 2g99B1 HIS 255 HA -0.62 0.18 0.68 -0.75 4.63 4.11 2g99B1 HIS 255 HB2 -0.60 -0.12 0.06 -0.04 3.26 2.56 2g99B1 HIS 255 HB3 -1.45 0.04 -0.12 -0.04 3.20 1.63 2g99B1 HIS 255 HD2 0.04 0.17 -0.12 -0.04 6.97 7.01 2g99B1 HIS 255 HE1 -0.04 0.12 -0.27 -0.04 7.75 7.51 2g99B1 LYS 256 H -0.09 0.07 0.15 -0.55 8.42 7.98 2g99B1 LYS 256 HA -0.16 0.26 0.90 -0.75 4.32 4.56 2g99B1 LYS 256 HB2 0.01 -0.18 0.12 -0.04 1.87 1.78 2g99B1 LYS 256 HB3 -0.00 -0.02 -0.04 -0.04 1.79 1.69 2g99B1 LYS 256 HG2 -0.02 0.14 -0.23 -0.04 1.46 1.31 2g99B1 LYS 256 HG3 0.02 0.03 -0.10 -0.04 1.46 1.38 2g99B1 LYS 256 HD2 0.00 0.08 -0.06 -0.04 1.69 1.67 2g99B1 LYS 256 HD3 0.01 -0.01 -0.08 -0.04 1.68 1.56 2g99B1 LYS 256 HE2 -0.04 -0.14 -0.02 -0.04 2.99 2.75 2g99B1 LYS 256 HE3 -0.04 0.11 -0.02 -0.04 2.99 3.00 2g99B1 ASN 257 H -0.18 0.29 0.00 -0.55 8.53 8.09 2g99B1 ASN 257 HA 0.01 -0.01 0.67 -0.75 4.76 4.68 2g99B1 ASN 257 HB2 -0.03 0.10 -0.25 -0.04 2.88 2.66 2g99B1 ASN 257 HB3 -0.13 -0.04 0.10 -0.04 2.79 2.69 2g99B1 ASN 257 HD21 0.07 0.03 -0.08 -0.04 7.03 7.01 2g99B1 ASN 257 HD22 0.11 -0.00 -0.07 -0.04 7.74 7.73 2g99B1 GLU 258 H 0.01 0.01 0.14 -0.55 8.60 8.20 2g99B1 GLU 258 HA -0.04 0.31 0.83 -0.75 4.29 4.64 2g99B1 GLU 258 HB2 -0.02 -0.07 0.02 -0.04 2.09 1.98 2g99B1 GLU 258 HB3 -0.02 0.10 0.14 -0.04 1.99 2.16 2g99B1 GLU 258 HG2 -0.03 0.21 -0.02 -0.04 2.34 2.45 2g99B1 GLU 258 HG3 -0.05 -0.23 -0.41 -0.04 2.34 1.62 2g99B1 LYS 259 H 0.01 -0.19 0.16 -0.55 8.42 7.85 2g99B1 LYS 259 HA -0.11 0.35 1.13 -0.75 4.32 4.95 2g99B1 LYS 259 HB2 -0.24 -0.08 0.06 -0.04 1.87 1.58 2g99B1 LYS 259 HB3 -0.47 0.05 0.03 -0.04 1.79 1.35 2g99B1 LYS 259 HG2 -0.08 0.16 -0.15 -0.04 1.46 1.35 2g99B1 LYS 259 HG3 -0.03 -0.18 -0.21 -0.04 1.46 1.00 2g99B1 LYS 259 HD2 0.05 -0.04 -0.01 -0.04 1.69 1.65 2g99B1 LYS 259 HD3 -0.08 0.03 -0.01 -0.04 1.68 1.58 2g99B1 LYS 259 HE2 -0.02 0.06 -0.03 -0.04 2.99 2.96 2g99B1 LYS 259 HE3 0.01 -0.03 -0.04 -0.04 2.99 2.89 2g99B1 TYR 260 H 0.16 -0.06 0.13 -0.55 8.29 7.97 2g99B1 TYR 260 HA 0.10 0.32 1.10 -0.75 4.56 5.33 2g99B1 TYR 260 HB2 0.05 -0.04 -0.06 -0.04 3.06 2.97 2g99B1 TYR 260 HB3 0.08 0.11 -0.01 -0.04 2.98 3.12 2g99B1 TYR 260 HD2 0.05 -0.01 0.01 -0.04 7.15 7.16 2g99B1 TYR 260 HE2 0.03 0.01 0.01 -0.04 6.85 6.86 2g99B1 CYS 261 H 0.30 0.17 0.10 -0.55 8.50 8.53 2g99B1 CYS 261 HA 0.09 0.06 0.57 -0.75 4.58 4.54 2g99B1 CYS 261 HB2 0.47 -0.06 0.26 -0.04 2.97 3.60 2g99B1 CYS 261 HB3 0.23 0.20 0.15 -0.04 2.97 3.51 2g99B1 ILE 262 H 0.06 0.21 0.04 -0.55 8.25 8.02 2g99B1 ILE 262 HA 0.05 0.35 0.84 -0.75 4.18 4.67 2g99B1 ILE 262 HB 0.08 -0.04 0.02 -0.04 1.89 1.91 2g99B1 ILE 262 HG12 0.08 0.03 -0.13 -0.04 1.49 1.43 2g99B1 ILE 262 HG13 0.14 -0.03 -0.29 -0.04 1.21 0.98 2g99B1 ILE 262 HG23 0.07 0.09 -0.16 -0.04 0.93 0.88 2g99B1 ILE 262 HD13 0.11 -0.03 -0.20 -0.04 0.88 0.71 2g99B1 PHE 263 H 0.21 0.33 0.33 -0.55 8.34 8.66 2g99B1 PHE 263 HA -1.32 0.06 0.45 -0.75 4.62 3.05 2g99B1 PHE 263 HB2 -0.22 -0.22 0.25 -0.04 3.15 2.93 2g99B1 PHE 263 HB3 -0.44 0.07 0.18 -0.04 3.06 2.83 2g99B1 PHE 263 HD2 -0.07 0.09 0.31 -0.04 7.28 7.57 2g99B1 PHE 263 HE2 0.03 0.14 0.22 -0.04 7.38 7.73 2g99B1 PHE 263 HZ -0.04 0.04 0.19 -0.04 7.32 7.47 2g99B1 ALA 264 H -1.14 0.25 0.24 -0.55 8.40 7.19 2g99B1 ALA 264 HA -0.04 0.27 0.93 -0.75 4.34 4.75 2g99B1 ALA 264 HB3 0.07 -0.01 -0.10 -0.04 1.41 1.33 2g99B1 ASN 265 H 0.01 0.61 0.34 -0.55 8.53 8.95 2g99B1 ASN 265 HA 0.19 0.22 0.99 -0.75 4.76 5.40 2g99B1 ASN 265 HB2 0.11 -0.09 -0.21 -0.04 2.88 2.65 2g99B1 ASN 265 HB3 0.17 0.03 0.04 -0.04 2.79 2.99 2g99B1 ASN 265 HD21 0.04 0.35 -0.09 -0.04 7.03 7.29 2g99B1 ASN 265 HD22 0.15 0.04 -0.03 -0.04 7.74 7.85 2g99B1 PHE 266 H 0.38 0.25 0.18 -0.55 8.34 8.60 2g99B1 PHE 266 HA 0.10 0.23 0.90 -0.75 4.62 5.10 2g99B1 PHE 266 HB2 0.13 -0.00 0.19 -0.04 3.15 3.43 2g99B1 PHE 266 HB3 0.10 0.04 0.01 -0.04 3.06 3.17 2g99B1 PHE 266 HD2 0.12 0.05 -0.02 -0.04 7.28 7.38 2g99B1 PHE 266 HE2 0.14 0.05 -0.20 -0.04 7.38 7.33 2g99B1 PHE 266 HZ 0.18 -0.06 -0.21 -0.04 7.32 7.18 2g99B1 SER 267 H 0.22 0.65 0.15 -0.55 8.46 8.93 2g99B1 SER 267 HA 0.20 0.12 0.77 -0.75 4.49 4.83 2g99B1 SER 267 HB2 0.26 -0.01 -0.12 -0.04 3.95 4.04 2g99B1 SER 267 HB3 0.44 -0.07 0.06 -0.04 3.93 4.32 2g99B1 VAL 268 H 0.13 0.16 0.11 -0.55 8.24 8.09 2g99B1 VAL 268 HA -0.00 0.29 0.91 -0.75 4.13 4.57 2g99B1 VAL 268 HB 0.03 0.02 0.08 -0.04 2.12 2.21 2g99B1 VAL 268 HG13 0.11 -0.01 -0.31 -0.04 0.97 0.72 2g99B1 VAL 268 HG23 0.07 0.02 -0.12 -0.04 0.95 0.88 2g99B1 THR 269 H 0.11 -0.01 0.01 -0.55 8.28 7.84 2g99B1 THR 269 HA 0.05 0.16 0.41 -0.75 4.39 4.25 2g99B1 THR 269 HB 0.08 0.04 -0.28 -0.04 4.32 4.11 2g99B1 THR 269 HG23 0.09 0.01 -0.33 -0.04 1.22 0.95 2g99B1 GLY 270 H 0.08 0.00 -0.45 -0.55 8.43 7.52 2g99B1 GLY 270 HA2 0.03 0.21 0.72 -0.51 4.01 4.47 2g99B1 GLY 270 HA3 0.12 -0.10 0.27 -0.51 4.01 3.79 2g99B1 GLY 271 H 0.16 0.04 0.01 -0.55 8.43 8.10 2g99B1 GLY 271 HA2 -0.43 0.11 0.44 -0.51 4.01 3.63 2g99B1 GLY 271 HA3 -1.05 0.09 0.23 -0.51 4.01 2.77 2g99B1 LYS 272 H -0.70 0.11 0.13 -0.55 8.42 7.41 2g99B1 LYS 272 HA -0.31 0.37 0.80 -0.75 4.32 4.43 2g99B1 LYS 272 HB2 -0.19 -0.11 0.25 -0.04 1.87 1.78 2g99B1 LYS 272 HB3 -0.06 -0.01 0.09 -0.04 1.79 1.77 2g99B1 LYS 272 HG2 -0.19 0.02 0.06 -0.04 1.46 1.31 2g99B1 LYS 272 HG3 -0.07 -0.04 0.05 -0.04 1.46 1.36 2g99B1 LYS 272 HD2 -0.00 -0.08 0.02 -0.04 1.69 1.59 2g99B1 LYS 272 HD3 -0.10 0.13 -0.01 -0.04 1.68 1.66 2g99B1 LYS 272 HE2 -0.02 -0.08 0.00 -0.04 2.99 2.85 2g99B1 LYS 272 HE3 -0.01 0.01 0.02 -0.04 2.99 2.96 2g99B1 TRP 273 H -0.09 0.53 0.31 -0.55 7.97 8.18 2g99B1 TRP 273 HA 0.08 0.15 1.19 -0.75 4.62 5.29 2g99B1 TRP 273 HB2 0.06 -0.10 -0.14 -0.04 3.23 3.01 2g99B1 TRP 273 HB3 0.07 0.12 0.09 -0.04 3.23 3.47 2g99B1 TRP 273 HD1 0.13 -0.08 -0.14 -0.04 7.22 7.09 2g99B1 TRP 273 HE1 0.12 -0.12 -0.10 -0.04 10.20 10.06 2g99B1 TRP 273 HE3 0.09 0.06 -0.14 -0.04 7.59 7.56 2g99B1 TRP 273 HZ2 0.04 -0.01 -0.19 -0.04 7.44 7.24 2g99B1 TRP 273 HZ3 0.06 0.00 -0.01 -0.04 7.13 7.15 2g99B1 TRP 273 HH2 0.04 0.32 -0.24 -0.04 7.19 7.27 2g99B1 ILE 274 H 0.32 0.48 0.30 -0.55 8.25 8.80 2g99B1 ILE 274 HA -0.09 0.30 0.95 -0.75 4.18 4.59 2g99B1 ILE 274 HB -0.17 -0.08 0.01 -0.04 1.89 1.61 2g99B1 ILE 274 HG12 -0.28 -0.09 -0.28 -0.04 1.49 0.80 2g99B1 ILE 274 HG13 -1.35 0.02 -0.16 -0.04 1.21 -0.32 2g99B1 ILE 274 HG23 -0.42 0.02 -0.20 -0.04 0.93 0.28 2g99B1 ILE 274 HD13 -0.50 0.03 -0.06 -0.04 0.88 0.30 2g99B1 VAL 275 H 0.04 0.54 0.22 -0.55 8.24 8.49 2g99B1 VAL 275 HA 0.08 0.39 1.10 -0.75 4.13 4.95 2g99B1 VAL 275 HB 0.04 -0.08 -0.09 -0.04 2.12 1.96 2g99B1 VAL 275 HG13 -0.09 0.02 -0.21 -0.04 0.97 0.64 2g99B1 VAL 275 HG23 0.01 -0.02 -0.30 -0.04 0.95 0.61 2g99B1 SER 276 H 0.06 0.60 0.30 -0.55 8.46 8.88 2g99B1 SER 276 HA 0.05 0.16 0.66 -0.75 4.49 4.60 2g99B1 SER 276 HB2 0.11 -0.03 -0.16 -0.04 3.95 3.82 2g99B1 SER 276 HB3 0.33 -0.08 -0.10 -0.04 3.93 4.04 2g99B1 GLY 277 H 0.06 0.28 0.08 -0.55 8.43 8.30 2g99B1 GLY 277 HA2 0.05 0.06 0.69 -0.51 4.01 4.29 2g99B1 GLY 277 HA3 0.05 0.25 0.32 -0.51 4.01 4.11 2g99B1 SER 278 H 0.08 0.19 0.37 -0.55 8.46 8.56 2g99B1 SER 278 HA 0.15 0.24 0.73 -0.75 4.49 4.86 2g99B1 SER 278 HB2 0.18 0.17 -0.20 -0.04 3.95 4.06 2g99B1 SER 278 HB3 0.25 -0.03 0.05 -0.04 3.93 4.16 2g99B1 GLU 279 H 0.06 0.82 0.38 -0.55 8.60 9.31 2g99B1 GLU 279 HA 0.05 0.03 0.66 -0.75 4.29 4.28 2g99B1 GLU 279 HB2 0.06 0.04 0.01 -0.04 2.09 2.15 2g99B1 GLU 279 HB3 0.09 0.04 0.13 -0.04 1.99 2.22 2g99B1 GLU 279 HG2 0.28 0.02 0.07 -0.04 2.34 2.67 2g99B1 GLU 279 HG3 0.16 0.06 0.00 -0.04 2.34 2.51 2g99B1 ASP 280 H 0.10 0.04 -0.38 -0.55 8.40 7.61 2g99B1 ASP 280 HA 0.06 0.26 0.78 -0.75 4.63 4.97 2g99B1 ASP 280 HB2 0.08 0.10 0.13 -0.04 2.71 2.97 2g99B1 ASP 280 HB3 0.08 0.00 -0.00 -0.04 2.70 2.73 2g99B1 ASN 281 H 0.06 0.11 -0.46 -0.55 8.53 7.69 2g99B1 ASN 281 HA 0.05 0.06 0.21 -0.75 4.76 4.33 2g99B1 ASN 281 HB2 0.06 0.23 -0.07 -0.04 2.88 3.05 2g99B1 ASN 281 HB3 0.09 0.03 -0.06 -0.04 2.79 2.81 2g99B1 ASN 281 HD21 0.03 0.01 -0.32 -0.04 7.03 6.71 2g99B1 ASN 281 HD22 0.04 0.11 -0.23 -0.04 7.74 7.63 2g99B1 LEU 282 H 0.12 -0.09 -0.36 -0.55 8.37 7.49 2g99B1 LEU 282 HA -0.01 0.36 1.06 -0.75 4.35 5.01 2g99B1 LEU 282 HB2 0.09 -0.12 -0.16 -0.04 1.64 1.41 2g99B1 LEU 282 HB3 -0.28 0.04 -0.13 -0.04 1.64 1.23 2g99B1 LEU 282 HG 0.02 0.16 -0.27 -0.04 1.64 1.51 2g99B1 LEU 282 HD13 -0.10 -0.02 -0.13 -0.04 0.93 0.65 2g99B1 LEU 282 HD23 -0.08 0.01 -0.20 -0.04 0.89 0.58 2g99B1 VAL 283 H -0.24 0.47 0.26 -0.55 8.24 8.18 2g99B1 VAL 283 HA -0.06 0.23 0.90 -0.75 4.13 4.45 2g99B1 VAL 283 HB -0.54 -0.12 0.13 -0.04 2.12 1.54 2g99B1 VAL 283 HG13 -0.32 0.02 -0.23 -0.04 0.97 0.39 2g99B1 VAL 283 HG23 -0.15 0.01 -0.11 -0.04 0.95 0.66 2g99B1 TYR 284 H -0.00 0.68 0.25 -0.55 8.29 8.67 2g99B1 TYR 284 HA -0.55 0.22 0.98 -0.75 4.56 4.46 2g99B1 TYR 284 HB2 -0.67 0.05 0.00 -0.04 3.06 2.40 2g99B1 TYR 284 HB3 -1.96 0.02 -0.13 -0.04 2.98 0.86 2g99B1 TYR 284 HD2 -0.40 0.06 -0.28 -0.04 7.15 6.49 2g99B1 TYR 284 HE2 -0.04 -0.02 -0.20 -0.04 6.85 6.55 2g99B1 ILE 285 H -0.65 0.53 0.32 -0.55 8.25 7.89 2g99B1 ILE 285 HA -0.16 0.33 1.00 -0.75 4.18 4.59 2g99B1 ILE 285 HB -0.44 -0.04 0.10 -0.04 1.89 1.47 2g99B1 ILE 285 HG12 -0.31 0.05 -0.21 -0.04 1.49 0.98 2g99B1 ILE 285 HG13 -0.43 -0.02 -0.57 -0.04 1.21 0.16 2g99B1 ILE 285 HG23 -0.41 -0.01 -0.16 -0.04 0.93 0.31 2g99B1 ILE 285 HD13 -0.48 -0.02 -0.22 -0.04 0.88 0.12 2g99B1 TRP 286 H 0.36 0.59 0.32 -0.55 7.97 8.69 2g99B1 TRP 286 HA 0.05 0.19 1.08 -0.75 4.62 5.19 2g99B1 TRP 286 HB2 -0.10 -0.09 -0.09 -0.04 3.23 2.91 2g99B1 TRP 286 HB3 0.23 0.10 -0.25 -0.04 3.23 3.27 2g99B1 TRP 286 HD1 0.16 0.20 -0.34 -0.04 7.22 7.20 2g99B1 TRP 286 HE1 0.10 0.46 0.02 -0.04 10.20 10.73 2g99B1 TRP 286 HE3 -0.16 0.17 -0.26 -0.04 7.59 7.29 2g99B1 TRP 286 HZ2 -0.36 -0.11 -0.36 -0.04 7.44 6.57 2g99B1 TRP 286 HZ3 -0.22 -0.01 -0.31 -0.04 7.13 6.55 2g99B1 TRP 286 HH2 -1.03 0.02 -0.22 -0.04 7.19 5.91 2g99B1 ASN 287 H 0.41 0.81 0.20 -0.55 8.53 9.41 2g99B1 ASN 287 HA 0.73 0.18 0.71 -0.75 4.76 5.62 2g99B1 ASN 287 HB2 0.43 0.15 0.11 -0.04 2.88 3.53 2g99B1 ASN 287 HB3 0.29 -0.13 0.22 -0.04 2.79 3.13 2g99B1 ASN 287 HD21 0.14 0.00 0.06 -0.04 7.03 7.20 2g99B1 ASN 287 HD22 0.28 0.14 0.07 -0.04 7.74 8.19 2g99B1 LEU 288 H 0.24 0.55 0.27 -0.55 8.37 8.88 2g99B1 LEU 288 HA 0.26 0.04 0.21 -0.75 4.35 4.10 2g99B1 LEU 288 HB2 0.10 0.04 -0.16 -0.04 1.64 1.58 2g99B1 LEU 288 HB3 0.09 0.00 0.03 -0.04 1.64 1.72 2g99B1 LEU 288 HG 0.15 -0.03 -0.08 -0.04 1.64 1.64 2g99B1 LEU 288 HD13 0.26 0.00 -0.11 -0.04 0.93 1.04 2g99B1 LEU 288 HD23 0.09 0.00 -0.31 -0.04 0.89 0.64 2g99B1 GLN 289 H 0.12 0.07 -0.15 -0.55 8.47 7.97 2g99B1 GLN 289 HA 0.06 0.16 0.56 -0.75 4.36 4.37 2g99B1 GLN 289 HB2 0.06 -0.05 0.11 -0.04 2.15 2.22 2g99B1 GLN 289 HB3 0.04 0.06 -0.02 -0.04 2.02 2.05 2g99B1 GLN 289 HG2 0.03 -0.05 0.02 -0.04 2.40 2.36 2g99B1 GLN 289 HG3 0.02 0.03 0.02 -0.04 2.39 2.42 2g99B1 GLN 289 HE21 0.02 0.00 -0.06 -0.04 6.97 6.88 2g99B1 GLN 289 HE22 0.04 -0.03 -0.08 -0.04 7.69 7.58 2g99B1 THR 290 H 0.13 0.01 -0.04 -0.55 8.28 7.84 2g99B1 THR 290 HA 0.04 0.20 0.63 -0.75 4.39 4.51 2g99B1 THR 290 HB 0.07 0.05 0.14 -0.04 4.32 4.55 2g99B1 THR 290 HG23 0.08 0.00 0.03 -0.04 1.22 1.29 2g99B1 LYS 291 H 0.21 0.42 -0.26 -0.55 8.42 8.23 2g99B1 LYS 291 HA 0.26 0.03 0.23 -0.75 4.32 4.09 2g99B1 LYS 291 HB2 -0.05 0.22 0.16 -0.04 1.87 2.16 2g99B1 LYS 291 HB3 -0.20 0.06 0.28 -0.04 1.79 1.89 2g99B1 LYS 291 HG2 -0.70 -0.08 -0.05 -0.04 1.46 0.59 2g99B1 LYS 291 HG3 -0.15 0.07 -0.41 -0.04 1.46 0.94 2g99B1 LYS 291 HD2 -0.32 0.11 0.16 -0.04 1.69 1.60 2g99B1 LYS 291 HD3 -0.30 -0.08 0.12 -0.04 1.68 1.38 2g99B1 LYS 291 HE2 -0.10 0.05 -0.02 -0.04 2.99 2.87 2g99B1 LYS 291 HE3 -0.09 0.09 -0.00 -0.04 2.99 2.95 2g99B1 GLU 292 H 0.21 -0.07 -0.49 -0.55 8.60 7.69 2g99B1 GLU 292 HA 0.20 0.14 0.58 -0.75 4.29 4.46 2g99B1 GLU 292 HB2 0.15 -0.10 0.01 -0.04 2.09 2.10 2g99B1 GLU 292 HB3 0.10 0.11 0.01 -0.04 1.99 2.17 2g99B1 GLU 292 HG2 0.09 0.05 0.00 -0.04 2.34 2.43 2g99B1 GLU 292 HG3 0.10 0.04 -0.07 -0.04 2.34 2.38 2g99B1 ILE 293 H 0.14 0.16 0.21 -0.55 8.25 8.21 2g99B1 ILE 293 HA -0.23 0.09 0.67 -0.75 4.18 3.95 2g99B1 ILE 293 HB -0.05 -0.01 0.15 -0.04 1.89 1.94 2g99B1 ILE 293 HG12 -0.67 -0.02 -0.03 -0.04 1.49 0.73 2g99B1 ILE 293 HG13 0.23 0.04 0.12 -0.04 1.21 1.56 2g99B1 ILE 293 HG23 -0.36 -0.01 -0.14 -0.04 0.93 0.38 2g99B1 ILE 293 HD13 0.18 0.01 0.02 -0.04 0.88 1.05 2g99B1 VAL 294 H -0.23 0.63 0.43 -0.55 8.24 8.51 2g99B1 VAL 294 HA -0.12 0.19 0.91 -0.75 4.13 4.36 2g99B1 VAL 294 HB -0.36 -0.02 0.11 -0.04 2.12 1.80 2g99B1 VAL 294 HG13 0.05 0.02 -0.10 -0.04 0.97 0.90 2g99B1 VAL 294 HG23 -0.71 -0.00 -0.23 -0.04 0.95 -0.03 2g99B1 GLN 295 H -0.37 0.31 0.24 -0.55 8.47 8.10 2g99B1 GLN 295 HA -0.26 0.11 0.42 -0.75 4.36 3.88 2g99B1 GLN 295 HB2 -0.32 0.08 -0.43 -0.04 2.15 1.44 2g99B1 GLN 295 HB3 -0.34 -0.10 -0.17 -0.04 2.02 1.36 2g99B1 GLN 295 HG2 -0.23 -0.06 -0.02 -0.04 2.40 2.06 2g99B1 GLN 295 HG3 -0.18 0.14 0.11 -0.04 2.39 2.42 2g99B1 GLN 295 HE21 -0.00 0.22 -0.06 -0.04 6.97 7.08 2g99B1 GLN 295 HE22 -0.10 0.03 -0.06 -0.04 7.69 7.52 2g99B1 LYS 296 H -0.31 0.30 0.10 -0.55 8.42 7.96 2g99B1 LYS 296 HA -0.61 0.37 0.95 -0.75 4.32 4.28 2g99B1 LYS 296 HB2 -0.35 -0.01 0.07 -0.04 1.87 1.54 2g99B1 LYS 296 HB3 -0.56 0.00 -0.08 -0.04 1.79 1.11 2g99B1 LYS 296 HG2 -1.13 0.03 -0.07 -0.04 1.46 0.25 2g99B1 LYS 296 HG3 -0.47 -0.07 -0.36 -0.04 1.46 0.52 2g99B1 LYS 296 HD2 -0.69 -0.01 -0.11 -0.04 1.69 0.84 2g99B1 LYS 296 HD3 -0.38 0.02 -0.11 -0.04 1.68 1.17 2g99B1 LYS 296 HE2 -0.20 0.00 -0.09 -0.04 2.99 2.66 2g99B1 LYS 296 HE3 -0.23 -0.00 -0.06 -0.04 2.99 2.65 2g99B1 LEU 297 H -0.50 0.60 0.23 -0.55 8.37 8.16 2g99B1 LEU 297 HA -0.39 0.16 0.75 -0.75 4.35 4.12 2g99B1 LEU 297 HB2 -0.88 -0.10 0.13 -0.04 1.64 0.76 2g99B1 LEU 297 HB3 -1.91 0.04 -0.11 -0.04 1.64 -0.38 2g99B1 LEU 297 HG -0.75 0.10 -0.17 -0.04 1.64 0.78 2g99B1 LEU 297 HD13 -0.51 -0.03 -0.33 -0.04 0.93 0.02 2g99B1 LEU 297 HD23 -1.76 -0.01 -0.19 -0.04 0.89 -1.11 2g99B1 GLN 298 H -0.06 0.23 0.20 -0.55 8.47 8.30 2g99B1 GLN 298 HA 0.00 0.16 0.90 -0.75 4.36 4.67 2g99B1 GLN 298 HB2 -0.05 0.02 -0.04 -0.04 2.15 2.04 2g99B1 GLN 298 HB3 0.01 0.01 0.10 -0.04 2.02 2.10 2g99B1 GLN 298 HG2 0.03 0.05 -0.24 -0.04 2.40 2.20 2g99B1 GLN 298 HG3 0.01 0.03 -0.01 -0.04 2.39 2.38 2g99B1 GLN 298 HE21 -0.00 -0.01 -0.04 -0.04 6.97 6.88 2g99B1 GLN 298 HE22 0.01 0.02 -0.09 -0.04 7.69 7.58 2g99B1 GLY 299 H 0.09 0.27 0.13 -0.55 8.43 8.38 2g99B1 GLY 299 HA2 0.04 0.05 0.34 -0.51 4.01 3.93 2g99B1 GLY 299 HA3 0.10 0.06 0.42 -0.51 4.01 4.08 2g99B1 HIS 300 H 0.14 0.12 0.09 -0.55 8.41 8.22 2g99B1 HIS 300 HA 0.05 0.04 0.38 -0.75 4.63 4.35 2g99B1 HIS 300 HB2 0.07 0.24 0.13 -0.04 3.26 3.66 2g99B1 HIS 300 HB3 0.04 -0.07 0.04 -0.04 3.20 3.17 2g99B1 HIS 300 HD2 0.16 0.03 -0.14 -0.04 6.97 6.98 2g99B1 HIS 300 HE1 0.01 0.10 -0.31 -0.04 7.75 7.51 2g99B1 THR 301 H 0.15 0.05 0.09 -0.55 8.28 8.02 2g99B1 THR 301 HA 0.06 0.27 0.91 -0.75 4.39 4.88 2g99B1 THR 301 HB 0.03 -0.00 0.15 -0.04 4.32 4.46 2g99B1 THR 301 HG23 0.03 0.04 -0.10 -0.04 1.22 1.14 2g99B1 ASP 302 H 0.06 0.32 -0.06 -0.55 8.40 8.17 2g99B1 ASP 302 HA 0.01 0.17 0.40 -0.75 4.63 4.45 2g99B1 ASP 302 HB2 -0.00 0.11 -0.34 -0.04 2.71 2.44 2g99B1 ASP 302 HB3 -0.05 -0.08 -0.01 -0.04 2.70 2.52 2g99B1 VAL 303 H -0.07 0.12 0.16 -0.55 8.24 7.90 2g99B1 VAL 303 HA -0.03 0.05 0.45 -0.75 4.13 3.85 2g99B1 VAL 303 HB -0.30 -0.09 0.16 -0.04 2.12 1.84 2g99B1 VAL 303 HG13 -0.16 0.01 -0.36 -0.04 0.97 0.43 2g99B1 VAL 303 HG23 -0.05 0.01 0.13 -0.04 0.95 1.00 2g99B1 VAL 304 H -0.02 0.36 0.30 -0.55 8.24 8.33 2g99B1 VAL 304 HA -0.22 0.21 0.74 -0.75 4.13 4.11 2g99B1 VAL 304 HB 0.02 -0.24 0.32 -0.04 2.12 2.17 2g99B1 VAL 304 HG13 -0.03 -0.01 -0.07 -0.04 0.97 0.82 2g99B1 VAL 304 HG23 0.01 -0.02 -0.21 -0.04 0.95 0.69 2g99B1 ILE 305 H -0.12 0.34 0.27 -0.55 8.25 8.20 2g99B1 ILE 305 HA -0.00 0.02 0.47 -0.75 4.18 3.91 2g99B1 ILE 305 HB -0.13 -0.12 0.02 -0.04 1.89 1.61 2g99B1 ILE 305 HG12 0.02 0.03 0.08 -0.04 1.49 1.58 2g99B1 ILE 305 HG13 0.12 0.12 0.14 -0.04 1.21 1.55 2g99B1 ILE 305 HG23 -0.05 0.10 -0.18 -0.04 0.93 0.76 2g99B1 ILE 305 HD13 0.02 -0.04 -0.08 -0.04 0.88 0.74 2g99B1 SER 306 H -0.04 0.28 0.03 -0.55 8.46 8.18 2g99B1 SER 306 HA 0.11 0.09 0.84 -0.75 4.49 4.78 2g99B1 SER 306 HB2 0.00 0.34 -0.17 -0.04 3.95 4.07 2g99B1 SER 306 HB3 -0.12 -0.11 -0.15 -0.04 3.93 3.51 2g99B1 THR 307 H -0.07 0.33 0.21 -0.55 8.28 8.20 2g99B1 THR 307 HA -0.00 0.36 0.87 -0.75 4.39 4.86 2g99B1 THR 307 HB -0.00 0.02 -0.04 -0.04 4.32 4.25 2g99B1 THR 307 HG23 -0.01 -0.02 -0.29 -0.04 1.22 0.85 2g99B1 ALA 308 H 0.09 0.54 0.33 -0.55 8.40 8.81 2g99B1 ALA 308 HA 0.11 0.13 0.68 -0.75 4.34 4.51 2g99B1 ALA 308 HB3 0.04 0.06 -0.08 -0.04 1.41 1.39 2g99B1 CYS 309 H 0.24 0.22 0.18 -0.55 8.50 8.60 2g99B1 CYS 309 HA 0.22 0.25 1.13 -0.75 4.58 5.43 2g99B1 CYS 309 HB2 0.16 0.04 0.14 -0.04 2.97 3.27 2g99B1 CYS 309 HB3 0.15 0.05 0.09 -0.04 2.97 3.22 2g99B1 HIS 310 H -0.11 0.68 0.36 -0.55 8.41 8.80 2g99B1 HIS 310 HA -0.96 0.04 0.46 -0.75 4.63 3.42 2g99B1 HIS 310 HB2 -0.81 0.03 0.15 -0.04 3.26 2.59 2g99B1 HIS 310 HB3 -0.24 0.19 0.26 -0.04 3.20 3.36 2g99B1 HIS 310 HD2 -0.90 0.01 -0.00 -0.04 6.97 6.04 2g99B1 HIS 310 HE1 0.04 0.06 0.04 -0.04 7.75 7.85 2g99B1 PRO 311 HA -0.04 0.11 0.55 -0.51 4.44 4.55 2g99B1 PRO 311 HB2 -0.10 0.07 0.08 -0.04 2.28 2.29 2g99B1 PRO 311 HB3 -0.11 0.02 0.18 -0.04 2.02 2.07 2g99B1 PRO 311 HG2 -0.44 -0.04 0.06 -0.04 2.03 1.56 2g99B1 PRO 311 HG3 -0.33 0.13 0.06 -0.04 2.03 1.85 2g99B1 PRO 311 HD2 -1.82 0.01 0.27 -0.04 3.68 2.11 2g99B1 PRO 311 HD3 -0.42 0.17 0.20 -0.04 3.65 3.56 2g99B1 THR 312 H 0.38 -0.09 -0.10 -0.55 8.28 7.93 2g99B1 THR 312 HA 0.08 0.29 1.05 -0.75 4.39 5.05 2g99B1 THR 312 HB 0.07 0.01 0.06 -0.04 4.32 4.42 2g99B1 THR 312 HG23 0.03 0.01 -0.18 -0.04 1.22 1.04 2g99B1 GLU 313 H 0.49 -0.07 0.05 -0.55 8.60 8.53 2g99B1 GLU 313 HA 0.03 0.27 0.90 -0.75 4.29 4.74 2g99B1 GLU 313 HB2 -0.39 -0.04 0.02 -0.04 2.09 1.64 2g99B1 GLU 313 HB3 -0.06 0.03 -0.02 -0.04 1.99 1.90 2g99B1 GLU 313 HG2 -0.02 -0.07 -0.13 -0.04 2.34 2.08 2g99B1 GLU 313 HG3 -0.02 0.03 -0.05 -0.04 2.34 2.26 2g99B1 ASN 314 H 0.03 0.22 0.08 -0.55 8.53 8.31 2g99B1 ASN 314 HA 0.19 0.07 0.54 -0.75 4.76 4.81 2g99B1 ASN 314 HB2 -0.04 0.17 0.31 -0.04 2.88 3.28 2g99B1 ASN 314 HB3 -0.01 -0.07 0.13 -0.04 2.79 2.79 2g99B1 ASN 314 HD21 0.05 0.06 -0.05 -0.04 7.03 7.05 2g99B1 ASN 314 HD22 -0.00 0.13 0.11 -0.04 7.74 7.94 2g99B1 ILE 315 H 0.14 0.55 0.07 -0.55 8.25 8.45 2g99B1 ILE 315 HA 0.33 0.36 1.06 -0.75 4.18 5.18 2g99B1 ILE 315 HB -0.12 -0.10 0.05 -0.04 1.89 1.67 2g99B1 ILE 315 HG12 0.09 0.11 -0.07 -0.04 1.49 1.57 2g99B1 ILE 315 HG13 -0.01 -0.20 -0.54 -0.04 1.21 0.42 2g99B1 ILE 315 HG23 0.20 0.05 -0.12 -0.04 0.93 1.01 2g99B1 ILE 315 HD13 -0.13 0.02 -0.07 -0.04 0.88 0.66 2g99B1 ILE 316 H 0.40 0.57 0.31 -0.55 8.25 8.98 2g99B1 ILE 316 HA 0.29 0.30 1.20 -0.75 4.18 5.21 2g99B1 ILE 316 HB -0.13 -0.07 -0.01 -0.04 1.89 1.65 2g99B1 ILE 316 HG12 -0.04 0.05 -0.10 -0.04 1.49 1.36 2g99B1 ILE 316 HG13 -0.17 -0.07 -0.45 -0.04 1.21 0.48 2g99B1 ILE 316 HG23 -0.04 0.00 -0.24 -0.04 0.93 0.61 2g99B1 ILE 316 HD13 -0.81 -0.01 -0.20 -0.04 0.88 -0.18 2g99B1 ALA 317 H 0.36 0.60 0.35 -0.55 8.40 9.16 2g99B1 ALA 317 HA 0.23 0.35 1.00 -0.75 4.34 5.16 2g99B1 ALA 317 HB3 -0.17 -0.02 -0.07 -0.04 1.41 1.11 2g99B1 SER 318 H 0.21 0.53 0.34 -0.55 8.46 9.00 2g99B1 SER 318 HA 0.08 0.32 0.96 -0.75 4.49 5.10 2g99B1 SER 318 HB2 0.26 0.01 0.05 -0.04 3.95 4.22 2g99B1 SER 318 HB3 0.23 -0.01 -0.15 -0.04 3.93 3.96 2g99B1 ALA 319 H -0.05 0.54 0.32 -0.55 8.40 8.66 2g99B1 ALA 319 HA -0.05 0.33 0.98 -0.75 4.34 4.84 2g99B1 ALA 319 HB3 -0.08 -0.01 -0.15 -0.04 1.41 1.13 2g99B1 ALA 320 H -0.16 0.41 0.23 -0.55 8.40 8.34 2g99B1 ALA 320 HA -0.23 0.27 1.18 -0.75 4.34 4.81 2g99B1 ALA 320 HB3 -0.30 -0.05 -0.06 -0.04 1.41 0.96 2g99B1 LEU 321 H -0.13 0.28 0.20 -0.55 8.37 8.17 2g99B1 LEU 321 HA -0.09 0.14 0.66 -0.75 4.35 4.31 2g99B1 LEU 321 HB2 -0.12 -0.08 0.23 -0.04 1.64 1.62 2g99B1 LEU 321 HB3 -0.10 -0.06 0.28 -0.04 1.64 1.72 2g99B1 LEU 321 HG -0.26 0.13 0.14 -0.04 1.64 1.61 2g99B1 LEU 321 HD13 -0.61 0.00 0.07 -0.04 0.93 0.35 2g99B1 LEU 321 HD23 -0.16 0.03 -0.01 -0.04 0.89 0.72 2g99B1 GLU 322 H -0.04 0.15 0.21 -0.55 8.60 8.38 2g99B1 GLU 322 HA -0.01 0.11 0.24 -0.75 4.29 3.87 2g99B1 GLU 322 HB2 0.00 0.14 0.04 -0.04 2.09 2.23 2g99B1 GLU 322 HB3 -0.01 -0.11 0.18 -0.04 1.99 2.02 2g99B1 GLU 322 HG2 -0.00 -0.02 -0.10 -0.04 2.34 2.18 2g99B1 GLU 322 HG3 0.01 0.10 -0.04 -0.04 2.34 2.36 2g99B1 ASN 323 H -0.01 -0.00 -0.29 -0.55 8.53 7.68 2g99B1 ASN 323 HA 0.01 0.15 0.60 -0.75 4.76 4.76 2g99B1 ASN 323 HB2 0.01 -0.09 0.10 -0.04 2.88 2.86 2g99B1 ASN 323 HB3 0.01 0.02 -0.00 -0.04 2.79 2.78 2g99B1 ASN 323 HD21 0.02 -0.07 0.06 -0.04 7.03 7.00 2g99B1 ASN 323 HD22 0.02 0.62 0.10 -0.04 7.74 8.44 2g99B1 ASP 324 H -0.00 0.44 -0.22 -0.55 8.40 8.08 2g99B1 ASP 324 HA 0.04 0.23 0.76 -0.75 4.63 4.90 2g99B1 ASP 324 HB2 0.04 -0.12 -0.18 -0.04 2.71 2.41 2g99B1 ASP 324 HB3 -0.00 -0.03 0.04 -0.04 2.70 2.66 2g99B1 LYS 325 H -0.01 0.34 -0.13 -0.55 8.42 8.07 2g99B1 LYS 325 HA 0.01 -0.03 0.19 -0.75 4.32 3.74 2g99B1 LYS 325 HB2 0.03 0.30 -0.04 -0.04 1.87 2.12 2g99B1 LYS 325 HB3 0.06 0.04 0.02 -0.04 1.79 1.87 2g99B1 LYS 325 HG2 0.01 -0.19 -0.50 -0.04 1.46 0.74 2g99B1 LYS 325 HG3 0.01 0.07 -0.53 -0.04 1.46 0.98 2g99B1 LYS 325 HD2 0.02 0.06 -0.20 -0.04 1.69 1.53 2g99B1 LYS 325 HD3 0.04 -0.04 -0.38 -0.04 1.68 1.25 2g99B1 LYS 325 HE2 0.01 -0.23 -0.18 -0.04 2.99 2.56 2g99B1 LYS 325 HE3 0.01 0.32 -0.05 -0.04 2.99 3.24 2g99B1 THR 326 H 0.05 -0.06 -0.52 -0.55 8.28 7.19 2g99B1 THR 326 HA 0.01 0.34 1.10 -0.75 4.39 5.08 2g99B1 THR 326 HB -0.04 0.03 -0.11 -0.04 4.32 4.17 2g99B1 THR 326 HG23 0.02 0.05 -0.20 -0.04 1.22 1.05 2g99B1 ILE 327 H -0.14 0.54 0.31 -0.55 8.25 8.42 2g99B1 ILE 327 HA 0.02 0.33 1.07 -0.75 4.18 4.85 2g99B1 ILE 327 HB -0.49 -0.03 0.12 -0.04 1.89 1.44 2g99B1 ILE 327 HG12 -0.10 -0.01 -0.14 -0.04 1.49 1.20 2g99B1 ILE 327 HG13 -0.08 -0.05 -0.36 -0.04 1.21 0.69 2g99B1 ILE 327 HG23 -0.22 0.01 -0.21 -0.04 0.93 0.46 2g99B1 ILE 327 HD13 -0.25 -0.01 -0.16 -0.04 0.88 0.43 2g99B1 LYS 328 H 0.13 0.54 0.32 -0.55 8.42 8.86 2g99B1 LYS 328 HA -0.23 0.30 1.20 -0.75 4.32 4.84 2g99B1 LYS 328 HB2 -0.05 -0.07 0.01 -0.04 1.87 1.71 2g99B1 LYS 328 HB3 -0.91 0.05 -0.03 -0.04 1.79 0.86 2g99B1 LYS 328 HG2 -0.34 0.07 -0.07 -0.04 1.46 1.09 2g99B1 LYS 328 HG3 -0.22 -0.10 -0.40 -0.04 1.46 0.70 2g99B1 LYS 328 HD2 -0.91 -0.09 -0.23 -0.04 1.69 0.43 2g99B1 LYS 328 HD3 -0.64 0.03 -0.16 -0.04 1.68 0.87 2g99B1 LYS 328 HE2 -0.24 0.03 -0.30 -0.04 2.99 2.45 2g99B1 LYS 328 HE3 -0.28 0.04 -0.15 -0.04 2.99 2.55 2g99B1 LEU 329 H -0.25 0.67 0.35 -0.55 8.37 8.60 2g99B1 LEU 329 HA 0.14 0.31 1.08 -0.75 4.35 5.12 2g99B1 LEU 329 HB2 0.19 -0.10 0.10 -0.04 1.64 1.79 2g99B1 LEU 329 HB3 0.21 0.09 -0.05 -0.04 1.64 1.85 2g99B1 LEU 329 HG -0.02 -0.07 -0.32 -0.04 1.64 1.19 2g99B1 LEU 329 HD13 0.06 0.03 -0.25 -0.04 0.93 0.73 2g99B1 LEU 329 HD23 0.18 0.03 -0.12 -0.04 0.89 0.93 2g99B1 TRP 330 H 0.46 0.68 0.37 -0.55 7.97 8.93 2g99B1 TRP 330 HA 0.07 0.29 1.00 -0.75 4.62 5.23 2g99B1 TRP 330 HB2 0.13 -0.08 -0.05 -0.04 3.23 3.18 2g99B1 TRP 330 HB3 0.16 -0.01 -0.18 -0.04 3.23 3.15 2g99B1 TRP 330 HD1 0.02 0.31 -0.19 -0.04 7.22 7.32 2g99B1 TRP 330 HE1 -0.01 -0.03 -0.21 -0.04 10.20 9.91 2g99B1 TRP 330 HE3 -0.00 -0.02 -0.48 -0.04 7.59 7.04 2g99B1 TRP 330 HZ2 -0.22 -0.05 -0.24 -0.04 7.44 6.89 2g99B1 TRP 330 HZ3 -0.07 0.06 -0.05 -0.04 7.13 7.04 2g99B1 TRP 330 HH2 -0.12 0.18 -0.43 -0.04 7.19 6.77 2g99B1 LYS 331 H 0.28 0.59 0.39 -0.55 8.42 9.11 2g99B1 LYS 331 HA 0.19 0.29 1.01 -0.75 4.32 5.05 2g99B1 LYS 331 HB2 0.12 0.00 -0.13 -0.04 1.87 1.82 2g99B1 LYS 331 HB3 0.05 0.03 0.03 -0.04 1.79 1.86 2g99B1 LYS 331 HG2 -0.03 0.03 -0.15 -0.04 1.46 1.27 2g99B1 LYS 331 HG3 0.03 -0.03 -0.01 -0.04 1.46 1.41 2g99B1 LYS 331 HD2 0.04 -0.01 -0.07 -0.04 1.69 1.62 2g99B1 LYS 331 HD3 -0.00 0.02 -0.12 -0.04 1.68 1.54 2g99B1 LYS 331 HE2 0.02 -0.05 -0.06 -0.04 2.99 2.86 2g99B1 LYS 331 HE3 0.00 -0.02 -0.06 -0.04 2.99 2.87 2g99B1 SER 332 H -0.23 0.48 0.24 -0.55 8.46 8.41 2g99B1 SER 332 HA -0.16 0.23 0.64 -0.75 4.49 4.45 2g99B1 SER 332 HB2 -0.31 -0.19 -0.22 -0.04 3.95 3.18 2g99B1 SER 332 HB3 -0.69 -0.00 -0.62 -0.04 3.93 2.57 2g99B1 ASP 333 H -0.08 0.18 0.03 -0.55 8.40 7.98 2g99B1 ASP 333 HA -0.04 0.06 0.17 -0.75 4.63 4.07 2g99B1 ASP 333 HB2 -0.05 0.28 0.55 -0.04 2.71 3.45 2g99B1 ASP 333 HB3 -0.02 -0.00 0.15 -0.04 2.70 2.78