============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. TYR 5 0.840 33.353 35.228 -5.122 -99.200 -91.000 TRP 28 1.040 45.903 14.799 -2.797 -99.200 -91.000 TRP6 28 1.020 44.047 13.408 -3.270 -99.200 -91.000 TYR 34 0.840 44.691 29.164 -7.743 -99.200 -91.000 PHE 36 1.000 53.008 35.077 -4.409 -99.200 -91.000 TRP 40 1.040 53.328 24.737 -8.622 -99.200 -91.000 TRP6 40 1.020 51.693 25.489 -10.155 -99.200 -91.000 HIS 41 0.900 52.373 28.312 -1.180 -99.200 -91.000 PHE 56 1.000 55.139 39.124 11.175 -99.200 -91.000 TRP 75 1.040 58.517 16.329 20.007 -99.200 -91.000 TRP6 75 1.020 60.553 15.628 19.014 -99.200 -91.000 PHE 81 1.000 55.535 28.827 25.104 -99.200 -91.000 HIS 87 0.900 65.767 31.465 32.328 -99.200 -91.000 PHE 89 1.000 54.279 31.596 30.726 -99.200 -91.000 HIS 97 0.900 55.301 25.319 29.992 -99.200 -91.000 HIS 105 0.900 48.271 22.824 16.489 -99.200 -91.000 PHE 110 1.000 50.276 27.629 8.724 -99.200 -91.000 TYR 115 0.840 49.394 38.421 8.562 -99.200 -91.000 TYR 116 0.840 41.934 31.067 4.666 -99.200 -91.000 PHE 121 1.000 46.522 37.366 16.070 -99.200 -91.000 PHE 123 1.000 50.509 37.393 13.466 -99.200 -91.000 HIS 135 0.900 53.506 25.029 6.933 -99.200 -91.000 HIS 138 0.900 65.921 32.683 3.375 -99.200 -91.000 TYR 154 0.840 63.587 23.946 6.301 -99.200 -91.000 PHE 163 1.000 52.936 11.517 -2.205 -99.200 -91.000 TRP 167 1.040 48.722 9.021 -0.511 -99.200 -91.000 TRP6 167 1.020 47.253 9.567 -2.285 -99.200 -91.000 HIS 168 0.900 48.774 8.235 4.690 -99.200 -91.000 PHE 169 1.000 45.200 17.492 6.347 -99.200 -91.000 TYR 174 0.840 45.460 12.599 -7.559 -99.200 -91.000 PHE 183 1.000 56.126 15.576 -2.898 -99.200 -91.000 PHE 188 1.000 50.941 16.760 -4.466 -99.200 -91.000 PHE 193 1.000 60.768 16.928 -3.661 -99.200 -91.000 TRP 194 1.040 63.313 21.312 -6.897 -99.200 -91.000 TRP6 194 1.020 61.691 20.097 -8.138 -99.200 -91.000 HIS 196 0.900 59.294 24.746 2.305 -99.200 -91.000 TYR 200 0.840 63.265 28.445 4.859 -99.200 -91.000 TRP 201 1.040 72.068 22.786 1.994 -99.200 -91.000 TRP6 201 1.020 72.658 21.496 3.898 -99.200 -91.000 TYR 202 0.840 70.786 26.578 -2.214 -99.200 -91.000 PHE 213 1.000 68.140 22.077 6.318 -99.200 -91.000 TYR 216 0.840 59.788 15.828 13.706 -99.200 -91.000 PHE 233 1.000 69.894 30.226 14.477 -99.200 -91.000 PHE 238 1.000 76.661 25.615 30.693 -99.200 -91.000 PHE 253 1.000 51.868 17.140 27.422 -99.200 -91.000 TRP 256 1.040 59.657 7.503 4.235 -99.200 -91.000 TRP6 256 1.020 60.700 5.815 2.934 -99.200 -91.000 PHE 276 1.000 67.186 18.281 -2.056 -99.200 -91.000 PHE 283 1.000 66.825 15.160 2.417 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2q3mA6 SER 6 HA 0.06 -0.08 0.15 -0.75 4.49 3.86 2q3mA6 SER 6 HB2 0.07 -0.04 0.03 -0.04 3.95 3.97 2q3mA6 SER 6 HB3 0.06 -0.03 0.00 -0.04 3.93 3.92 2q3mA6 VAL 7 H 0.07 0.19 0.12 -0.55 8.24 8.06 2q3mA6 VAL 7 HA 0.06 0.21 0.71 -0.75 4.13 4.35 2q3mA6 VAL 7 HB 0.02 0.04 0.05 -0.04 2.12 2.19 2q3mA6 VAL 7 HG13 0.05 -0.00 -0.21 -0.04 0.97 0.76 2q3mA6 VAL 7 HG23 0.06 -0.01 -0.09 -0.04 0.95 0.87 2q3mA6 PRO 8 HA 0.02 -0.02 0.41 -0.51 4.44 4.34 2q3mA6 PRO 8 HB2 -0.21 0.09 -0.01 -0.04 2.28 2.11 2q3mA6 PRO 8 HB3 -0.19 -0.05 0.06 -0.04 2.02 1.81 2q3mA6 PRO 8 HG2 -0.14 0.07 0.04 -0.04 2.03 1.95 2q3mA6 PRO 8 HG3 -0.15 0.06 -0.07 -0.04 2.03 1.83 2q3mA6 PRO 8 HD2 -0.08 0.08 0.13 -0.04 3.68 3.77 2q3mA6 PRO 8 HD3 -0.01 0.19 0.20 -0.04 3.65 3.99 2q3mA6 ALA 9 H -0.01 -0.01 0.13 -0.55 8.40 7.96 2q3mA6 ALA 9 HA 0.06 0.14 0.53 -0.75 4.34 4.31 2q3mA6 ALA 9 HB3 0.06 -0.01 0.04 -0.04 1.41 1.45 2q3mA6 TYR 10 H 0.27 0.16 0.12 -0.55 8.29 8.29 2q3mA6 TYR 10 HA 0.01 0.16 0.75 -0.75 4.56 4.73 2q3mA6 TYR 10 HB2 0.01 -0.03 0.16 -0.04 3.06 3.16 2q3mA6 TYR 10 HB3 0.01 0.00 -0.03 -0.04 2.98 2.92 2q3mA6 TYR 10 HD2 0.01 -0.05 -0.01 -0.04 7.15 7.06 2q3mA6 TYR 10 HE2 0.01 0.01 -0.05 -0.04 6.85 6.78 2q3mA6 LEU 11 H 0.05 0.30 0.06 -0.55 8.37 8.24 2q3mA6 LEU 11 HA 0.07 0.11 0.72 -0.75 4.35 4.49 2q3mA6 LEU 11 HB2 0.15 -0.00 -0.07 -0.04 1.64 1.67 2q3mA6 LEU 11 HB3 0.11 0.05 -0.30 -0.04 1.64 1.45 2q3mA6 LEU 11 HG 0.06 0.05 -0.17 -0.04 1.64 1.54 2q3mA6 LEU 11 HD13 0.33 0.01 -0.19 -0.04 0.93 1.04 2q3mA6 LEU 11 HD23 0.10 -0.02 -0.19 -0.04 0.89 0.73 2q3mA6 GLY 12 H -0.02 0.13 0.12 -0.55 8.43 8.11 2q3mA6 GLY 12 HA2 -0.14 0.08 0.34 -0.51 4.01 3.77 2q3mA6 GLY 12 HA3 -0.10 0.18 0.68 -0.51 4.01 4.26 2q3mA6 ASP 13 H -0.05 0.25 0.20 -0.55 8.40 8.25 2q3mA6 ASP 13 HA -0.01 0.08 0.60 -0.75 4.63 4.54 2q3mA6 ASP 13 HB2 -0.03 0.14 0.16 -0.04 2.71 2.94 2q3mA6 ASP 13 HB3 -0.01 -0.01 0.18 -0.04 2.70 2.82 2q3mA6 GLU 14 H 0.01 0.21 0.20 -0.55 8.60 8.46 2q3mA6 GLU 14 HA 0.04 0.12 0.34 -0.75 4.29 4.03 2q3mA6 GLU 14 HB2 0.02 0.07 0.13 -0.04 2.09 2.27 2q3mA6 GLU 14 HB3 0.01 -0.02 0.10 -0.04 1.99 2.04 2q3mA6 GLU 14 HG2 0.02 0.03 -0.01 -0.04 2.34 2.34 2q3mA6 GLU 14 HG3 0.03 -0.01 -0.11 -0.04 2.34 2.21 2q3mA6 ASP 15 H 0.01 0.08 -0.10 -0.55 8.40 7.84 2q3mA6 ASP 15 HA 0.01 0.09 0.37 -0.75 4.63 4.35 2q3mA6 ASP 15 HB2 0.01 -0.05 0.05 -0.04 2.71 2.68 2q3mA6 ASP 15 HB3 0.01 0.09 -0.04 -0.04 2.70 2.72 2q3mA6 LEU 16 H 0.01 0.11 -0.37 -0.55 8.37 7.58 2q3mA6 LEU 16 HA 0.01 0.13 0.71 -0.75 4.35 4.45 2q3mA6 LEU 16 HB2 0.02 -0.01 0.11 -0.04 1.64 1.72 2q3mA6 LEU 16 HB3 0.02 0.03 0.04 -0.04 1.64 1.69 2q3mA6 LEU 16 HG 0.02 0.01 -0.13 -0.04 1.64 1.50 2q3mA6 LEU 16 HD13 0.03 -0.03 -0.05 -0.04 0.93 0.84 2q3mA6 LEU 16 HD23 0.05 0.04 0.01 -0.04 0.89 0.95 2q3mA6 THR 17 H 0.01 0.36 -0.14 -0.55 8.28 7.96 2q3mA6 THR 17 HA -0.02 0.07 0.42 -0.75 4.39 4.10 2q3mA6 THR 17 HB 0.04 0.03 0.14 -0.04 4.32 4.50 2q3mA6 THR 17 HG23 0.01 -0.01 -0.14 -0.04 1.22 1.04 2q3mA6 GLN 18 H 0.01 0.41 -0.19 -0.55 8.47 8.16 2q3mA6 GLN 18 HA -0.00 0.08 0.62 -0.75 4.36 4.30 2q3mA6 GLN 18 HB2 0.01 0.10 0.08 -0.04 2.15 2.30 2q3mA6 GLN 18 HB3 0.01 -0.02 0.05 -0.04 2.02 2.02 2q3mA6 GLN 18 HG2 0.04 0.04 0.01 -0.04 2.40 2.46 2q3mA6 GLN 18 HG3 0.03 -0.02 -0.00 -0.04 2.39 2.36 2q3mA6 GLN 18 HE21 0.13 0.01 -0.05 -0.04 6.97 7.02 2q3mA6 GLN 18 HE22 0.12 -0.02 -0.06 -0.04 7.69 7.69 2q3mA6 GLU 19 H -0.00 0.19 -0.29 -0.55 8.60 7.96 2q3mA6 GLU 19 HA -0.01 0.04 0.34 -0.75 4.29 3.90 2q3mA6 GLU 19 HB2 0.00 0.07 0.16 -0.04 2.09 2.28 2q3mA6 GLU 19 HB3 -0.00 0.07 0.14 -0.04 1.99 2.15 2q3mA6 GLU 19 HG2 -0.01 0.01 -0.15 -0.04 2.34 2.14 2q3mA6 GLU 19 HG3 -0.00 -0.03 0.09 -0.04 2.34 2.36 2q3mA6 THR 20 H -0.04 0.20 -0.36 -0.55 8.28 7.53 2q3mA6 THR 20 HA -0.04 0.17 0.79 -0.75 4.39 4.56 2q3mA6 THR 20 HB -0.08 -0.04 0.12 -0.04 4.32 4.28 2q3mA6 THR 20 HG23 -0.04 0.07 -0.30 -0.04 1.22 0.90 2q3mA6 ARG 21 H -0.05 0.25 -0.07 -0.55 8.46 8.03 2q3mA6 ARG 21 HA -0.10 0.04 0.39 -0.75 4.34 3.92 2q3mA6 ARG 21 HB2 -0.06 0.28 0.24 -0.04 1.90 2.33 2q3mA6 ARG 21 HB3 -0.04 -0.05 0.14 -0.04 1.80 1.81 2q3mA6 ARG 21 HG2 -0.05 -0.01 -0.21 -0.04 1.67 1.36 2q3mA6 ARG 21 HG3 -0.11 -0.01 0.01 -0.04 1.67 1.52 2q3mA6 ARG 21 HD2 -0.05 0.03 -0.01 -0.04 3.22 3.14 2q3mA6 ARG 21 HD3 -0.01 -0.02 -0.01 -0.04 3.22 3.13 2q3mA6 ALA 22 H -0.03 0.13 -0.19 -0.55 8.40 7.76 2q3mA6 ALA 22 HA -0.03 0.09 0.35 -0.75 4.34 4.00 2q3mA6 ALA 22 HB3 -0.01 0.01 -0.01 -0.04 1.41 1.36 2q3mA6 LEU 23 H -0.04 0.19 -0.24 -0.55 8.37 7.73 2q3mA6 LEU 23 HA -0.01 0.03 0.38 -0.75 4.35 3.99 2q3mA6 LEU 23 HB2 -0.03 -0.03 0.11 -0.04 1.64 1.65 2q3mA6 LEU 23 HB3 -0.08 0.23 0.20 -0.04 1.64 1.96 2q3mA6 LEU 23 HG -0.13 -0.01 -0.24 -0.04 1.64 1.22 2q3mA6 LEU 23 HD13 0.08 -0.01 0.00 -0.04 0.93 0.96 2q3mA6 LEU 23 HD23 -0.12 -0.01 0.02 -0.04 0.89 0.75 2q3mA6 ILE 24 H -0.12 0.35 -0.09 -0.55 8.25 7.84 2q3mA6 ILE 24 HA -0.17 0.00 0.39 -0.75 4.18 3.65 2q3mA6 ILE 24 HB -0.21 0.12 0.10 -0.04 1.89 1.86 2q3mA6 ILE 24 HG12 -0.27 -0.04 -0.04 -0.04 1.49 1.10 2q3mA6 ILE 24 HG13 -0.21 0.04 -0.02 -0.04 1.21 0.99 2q3mA6 ILE 24 HG23 -0.56 -0.02 -0.13 -0.04 0.93 0.18 2q3mA6 ILE 24 HD13 -0.22 -0.02 -0.09 -0.04 0.88 0.51 2q3mA6 SER 25 H -0.09 0.51 -0.13 -0.55 8.46 8.20 2q3mA6 SER 25 HA -0.03 0.02 0.31 -0.75 4.49 4.04 2q3mA6 SER 25 HB2 -0.02 0.01 0.10 -0.04 3.95 4.00 2q3mA6 SER 25 HB3 -0.01 -0.04 0.19 -0.04 3.93 4.03 2q3mA6 SER 26 H 0.01 0.12 -0.67 -0.55 8.46 7.37 2q3mA6 SER 26 HA 0.05 0.11 0.86 -0.75 4.49 4.75 2q3mA6 SER 26 HB2 0.02 -0.12 0.08 -0.04 3.95 3.89 2q3mA6 SER 26 HB3 0.01 0.06 -0.23 -0.04 3.93 3.73 2q3mA6 LEU 27 H 0.05 0.11 0.20 -0.55 8.37 8.18 2q3mA6 LEU 27 HA 0.03 -0.02 0.51 -0.75 4.35 4.12 2q3mA6 LEU 27 HB2 0.13 -0.04 0.10 -0.04 1.64 1.79 2q3mA6 LEU 27 HB3 0.02 0.39 0.35 -0.04 1.64 2.37 2q3mA6 LEU 27 HG 0.02 0.17 0.20 -0.04 1.64 1.98 2q3mA6 LEU 27 HD13 0.08 -0.04 -0.11 -0.04 0.93 0.82 2q3mA6 LEU 27 HD23 0.12 -0.05 0.10 -0.04 0.89 1.02 2q3mA6 PRO 28 HA 0.13 0.13 0.53 -0.51 4.44 4.72 2q3mA6 PRO 28 HB2 -0.02 -0.08 -0.01 -0.04 2.28 2.13 2q3mA6 PRO 28 HB3 0.17 0.04 0.13 -0.04 2.02 2.32 2q3mA6 PRO 28 HG2 -0.11 -0.03 0.07 -0.04 2.03 1.92 2q3mA6 PRO 28 HG3 0.00 0.08 0.10 -0.04 2.03 2.17 2q3mA6 PRO 28 HD2 -0.22 0.08 0.33 -0.04 3.68 3.84 2q3mA6 PRO 28 HD3 -0.05 0.09 0.31 -0.04 3.65 3.96 2q3mA6 LYS 29 H 0.26 0.23 0.23 -0.55 8.42 8.58 2q3mA6 LYS 29 HA 0.41 0.19 0.87 -0.75 4.32 5.04 2q3mA6 LYS 29 HB2 -0.16 0.01 0.05 -0.04 1.87 1.73 2q3mA6 LYS 29 HB3 0.15 0.11 -0.22 -0.04 1.79 1.79 2q3mA6 LYS 29 HG2 0.10 -0.03 -0.05 -0.04 1.46 1.43 2q3mA6 LYS 29 HG3 0.04 -0.05 -0.43 -0.04 1.46 0.97 2q3mA6 LYS 29 HD2 -0.00 -0.04 -0.14 -0.04 1.69 1.47 2q3mA6 LYS 29 HD3 0.10 0.07 -0.13 -0.04 1.68 1.68 2q3mA6 LYS 29 HE2 0.07 -0.03 -0.06 -0.04 2.99 2.93 2q3mA6 LYS 29 HE3 0.04 -0.09 -0.09 -0.04 2.99 2.81 2q3mA6 GLU 30 H -0.01 0.56 0.29 -0.55 8.60 8.90 2q3mA6 GLU 30 HA -0.08 0.14 0.65 -0.75 4.29 4.25 2q3mA6 GLU 30 HB2 -0.65 -0.09 -0.18 -0.04 2.09 1.14 2q3mA6 GLU 30 HB3 -0.28 0.13 -0.07 -0.04 1.99 1.73 2q3mA6 GLU 30 HG2 -0.49 0.07 -0.17 -0.04 2.34 1.72 2q3mA6 GLU 30 HG3 -0.78 -0.02 -0.09 -0.04 2.34 1.41 2q3mA6 LYS 31 H -0.04 0.12 0.12 -0.55 8.42 8.07 2q3mA6 LYS 31 HA -0.00 0.19 0.55 -0.75 4.32 4.30 2q3mA6 LYS 31 HB2 0.04 -0.01 0.13 -0.04 1.87 1.99 2q3mA6 LYS 31 HB3 0.08 -0.06 0.09 -0.04 1.79 1.86 2q3mA6 LYS 31 HG2 0.11 0.22 -0.10 -0.04 1.46 1.64 2q3mA6 LYS 31 HG3 0.07 0.04 0.09 -0.04 1.46 1.62 2q3mA6 LYS 31 HD2 0.20 -0.06 -0.04 -0.04 1.69 1.74 2q3mA6 LYS 31 HD3 0.16 0.04 -0.01 -0.04 1.68 1.82 2q3mA6 LYS 31 HE2 0.09 -0.02 0.01 -0.04 2.99 3.03 2q3mA6 LYS 31 HE3 0.07 0.02 0.03 -0.04 2.99 3.07 2q3mA6 GLY 32 H 0.00 0.35 -0.27 -0.55 8.43 7.96 2q3mA6 GLY 32 HA2 -0.02 0.01 0.50 -0.51 4.01 3.98 2q3mA6 GLY 32 HA3 -0.02 -0.09 -0.03 -0.51 4.01 3.36 2q3mA6 TRP 33 H 0.04 -0.03 0.08 -0.55 7.97 7.52 2q3mA6 TRP 33 HA -0.25 0.24 0.63 -0.75 4.62 4.48 2q3mA6 TRP 33 HB2 -0.02 0.04 0.05 -0.04 3.23 3.26 2q3mA6 TRP 33 HB3 -0.30 -0.16 0.17 -0.04 3.23 2.91 2q3mA6 TRP 33 HD1 0.16 -0.06 -0.08 -0.04 7.22 7.20 2q3mA6 TRP 33 HE1 0.05 0.10 0.08 -0.04 10.20 10.39 2q3mA6 TRP 33 HE3 -0.55 0.04 0.11 -0.04 7.59 7.16 2q3mA6 TRP 33 HZ2 -0.69 -0.09 0.04 -0.04 7.44 6.65 2q3mA6 TRP 33 HZ3 -0.17 0.04 0.06 -0.04 7.13 7.02 2q3mA6 TRP 33 HH2 -0.13 0.09 0.09 -0.04 7.19 7.20 2q3mA6 LEU 34 H -0.27 -0.01 0.07 -0.55 8.37 7.62 2q3mA6 LEU 34 HA -0.82 0.29 0.62 -0.75 4.35 3.69 2q3mA6 LEU 34 HB2 -0.73 0.01 0.07 -0.04 1.64 0.95 2q3mA6 LEU 34 HB3 -0.31 -0.13 0.07 -0.04 1.64 1.23 2q3mA6 LEU 34 HG -0.16 -0.06 0.08 -0.04 1.64 1.47 2q3mA6 LEU 34 HD13 -0.24 0.05 0.10 -0.04 0.93 0.80 2q3mA6 LEU 34 HD23 0.00 -0.02 -0.08 -0.04 0.89 0.75 2q3mA6 VAL 35 H -0.13 0.14 -0.72 -0.55 8.24 6.99 2q3mA6 VAL 35 HA -0.07 0.20 0.62 -0.75 4.13 4.13 2q3mA6 VAL 35 HB -0.06 0.04 -0.25 -0.04 2.12 1.80 2q3mA6 VAL 35 HG13 -0.04 -0.09 -0.17 -0.04 0.97 0.63 2q3mA6 VAL 35 HG23 0.01 -0.04 0.13 -0.04 0.95 1.02 2q3mA6 SER 36 H 0.00 0.14 0.12 -0.55 8.46 8.18 2q3mA6 SER 36 HA 0.01 0.17 0.41 -0.75 4.49 4.33 2q3mA6 SER 36 HB2 0.03 0.06 0.12 -0.04 3.95 4.12 2q3mA6 SER 36 HB3 0.03 0.00 0.12 -0.04 3.93 4.04 2q3mA6 GLU 37 H -0.01 0.04 -0.35 -0.55 8.60 7.73 2q3mA6 GLU 37 HA -0.07 -0.04 0.44 -0.75 4.29 3.87 2q3mA6 GLU 37 HB2 -0.28 0.17 0.10 -0.04 2.09 2.04 2q3mA6 GLU 37 HB3 -0.07 0.24 0.19 -0.04 1.99 2.31 2q3mA6 GLU 37 HG2 0.01 -0.27 -0.37 -0.04 2.34 1.67 2q3mA6 GLU 37 HG3 -0.37 -0.02 -0.28 -0.04 2.34 1.63 2q3mA6 ILE 38 H -0.13 0.54 0.04 -0.55 8.25 8.15 2q3mA6 ILE 38 HA 0.05 0.15 0.78 -0.75 4.18 4.40 2q3mA6 ILE 38 HB 0.31 0.00 -0.28 -0.04 1.89 1.88 2q3mA6 ILE 38 HG12 -0.12 0.09 -0.37 -0.04 1.49 1.05 2q3mA6 ILE 38 HG13 -0.05 0.01 -0.30 -0.04 1.21 0.83 2q3mA6 ILE 38 HG23 -0.03 -0.07 -0.30 -0.04 0.93 0.49 2q3mA6 ILE 38 HD13 -0.32 -0.00 -0.44 -0.04 0.88 0.08 2q3mA6 TYR 39 H 0.34 0.65 0.28 -0.55 8.29 9.01 2q3mA6 TYR 39 HA 0.26 0.33 0.93 -0.75 4.56 5.33 2q3mA6 TYR 39 HB2 0.07 -0.12 0.01 -0.04 3.06 2.99 2q3mA6 TYR 39 HB3 0.04 0.15 -0.05 -0.04 2.98 3.07 2q3mA6 TYR 39 HD2 0.07 0.07 -0.14 -0.04 7.15 7.11 2q3mA6 TYR 39 HE2 0.04 -0.03 -0.16 -0.04 6.85 6.66 2q3mA6 GLU 40 H -0.31 0.70 0.11 -0.55 8.60 8.55 2q3mA6 GLU 40 HA -1.02 0.18 0.55 -0.75 4.29 3.25 2q3mA6 GLU 40 HB2 -2.99 -0.02 -0.11 -0.04 2.09 -1.08 2q3mA6 GLU 40 HB3 -0.68 0.03 0.13 -0.04 1.99 1.44 2q3mA6 GLU 40 HG2 -0.53 -0.14 -0.25 -0.04 2.34 1.38 2q3mA6 GLU 40 HG3 -1.23 0.04 -0.29 -0.04 2.34 0.82 2q3mA6 PHE 41 H -0.17 0.86 0.30 -0.55 8.34 8.78 2q3mA6 PHE 41 HA -0.12 0.15 0.94 -0.75 4.62 4.83 2q3mA6 PHE 41 HB2 -0.02 0.05 -0.14 -0.04 3.15 2.99 2q3mA6 PHE 41 HB3 0.06 -0.03 0.11 -0.04 3.06 3.16 2q3mA6 PHE 41 HD2 -0.01 -0.01 -0.01 -0.04 7.28 7.22 2q3mA6 PHE 41 HE2 -0.04 0.01 -0.04 -0.04 7.38 7.27 2q3mA6 PHE 41 HZ -0.05 0.03 -0.03 -0.04 7.32 7.24 2q3mA6 GLN 42 H -0.43 0.20 0.11 -0.55 8.47 7.81 2q3mA6 GLN 42 HA -0.35 0.06 0.33 -0.75 4.36 3.64 2q3mA6 GLN 42 HB2 -0.61 0.11 -0.06 -0.04 2.15 1.55 2q3mA6 GLN 42 HB3 -0.38 0.04 0.12 -0.04 2.02 1.76 2q3mA6 GLN 42 HG2 -0.68 0.03 0.04 -0.04 2.40 1.75 2q3mA6 GLN 42 HG3 -2.69 -0.08 -0.16 -0.04 2.39 -0.58 2q3mA6 GLN 42 HE21 -0.03 0.04 -0.02 -0.04 6.97 6.93 2q3mA6 GLN 42 HE22 -0.23 -0.01 -0.01 -0.04 7.69 7.40 2q3mA6 GLY 43 H -0.25 0.06 -0.21 -0.55 8.43 7.48 2q3mA6 GLY 43 HA2 -0.18 -0.00 0.25 -0.51 4.01 3.57 2q3mA6 GLY 43 HA3 -0.14 0.09 0.35 -0.51 4.01 3.80 2q3mA6 LEU 44 H -0.22 0.33 -0.42 -0.55 8.37 7.52 2q3mA6 LEU 44 HA -0.17 0.53 1.07 -0.75 4.35 5.03 2q3mA6 LEU 44 HB2 -0.04 0.02 -0.02 -0.04 1.64 1.56 2q3mA6 LEU 44 HB3 -0.30 -0.08 -0.08 -0.04 1.64 1.14 2q3mA6 LEU 44 HG -0.03 0.04 -0.30 -0.04 1.64 1.31 2q3mA6 LEU 44 HD13 0.22 -0.04 -0.06 -0.04 0.93 1.00 2q3mA6 LEU 44 HD23 -0.05 0.04 -0.29 -0.04 0.89 0.55 2q3mA6 TRP 45 H 0.04 0.60 0.30 -0.55 7.97 8.37 2q3mA6 TRP 45 HA -0.03 0.28 0.66 -0.75 4.62 4.78 2q3mA6 TRP 45 HB2 -0.07 0.15 0.12 -0.04 3.23 3.39 2q3mA6 TRP 45 HB3 -0.04 -0.12 -0.29 -0.04 3.23 2.73 2q3mA6 TRP 45 HD1 -0.11 0.25 -0.18 -0.04 7.22 7.13 2q3mA6 TRP 45 HE1 -0.04 0.03 -0.22 -0.04 10.20 9.93 2q3mA6 TRP 45 HE3 -0.02 -0.10 -0.76 -0.04 7.59 6.67 2q3mA6 TRP 45 HZ2 0.01 0.02 -0.15 -0.04 7.44 7.28 2q3mA6 TRP 45 HZ3 -0.03 0.08 -0.38 -0.04 7.13 6.75 2q3mA6 TRP 45 HH2 0.01 0.05 -0.33 -0.04 7.19 6.88 2q3mA6 HIS 46 H 0.23 0.76 0.34 -0.55 8.41 9.20 2q3mA6 HIS 46 HA 0.13 0.03 1.02 -0.75 4.63 5.06 2q3mA6 HIS 46 HB2 0.10 0.13 0.07 -0.04 3.26 3.53 2q3mA6 HIS 46 HB3 0.07 -0.11 0.15 -0.04 3.20 3.26 2q3mA6 HIS 46 HD2 0.17 0.14 -0.08 -0.04 6.97 7.15 2q3mA6 HIS 46 HE1 0.17 0.04 -0.08 -0.04 7.75 7.84 2q3mA6 THR 47 H 0.17 0.07 0.21 -0.55 8.28 8.18 2q3mA6 THR 47 HA 0.14 0.28 0.73 -0.75 4.39 4.79 2q3mA6 THR 47 HB 0.01 0.00 0.15 -0.04 4.32 4.44 2q3mA6 THR 47 HG23 -0.01 0.04 0.02 -0.04 1.22 1.23 2q3mA6 GLN 48 H 0.19 0.24 0.15 -0.55 8.47 8.51 2q3mA6 GLN 48 HA -0.04 0.14 0.32 -0.75 4.36 4.03 2q3mA6 GLN 48 HB2 0.15 0.09 0.07 -0.04 2.15 2.42 2q3mA6 GLN 48 HB3 0.04 -0.04 0.05 -0.04 2.02 2.03 2q3mA6 GLN 48 HG2 -0.12 -0.01 -0.08 -0.04 2.40 2.15 2q3mA6 GLN 48 HG3 -0.32 0.07 -0.00 -0.04 2.39 2.10 2q3mA6 GLN 48 HE21 -0.09 0.43 0.00 -0.04 6.97 7.27 2q3mA6 GLN 48 HE22 -0.10 -0.01 -0.05 -0.04 7.69 7.50 2q3mA6 ALA 49 H -0.09 0.02 -0.23 -0.55 8.40 7.55 2q3mA6 ALA 49 HA -0.38 0.18 0.38 -0.75 4.34 3.77 2q3mA6 ALA 49 HB3 -0.71 0.01 -0.00 -0.04 1.41 0.67 2q3mA6 ILE 50 H -0.13 0.08 -0.35 -0.55 8.25 7.30 2q3mA6 ILE 50 HA -0.19 0.08 0.39 -0.75 4.18 3.70 2q3mA6 ILE 50 HB -0.01 -0.00 0.18 -0.04 1.89 2.02 2q3mA6 ILE 50 HG12 -0.02 -0.03 -0.02 -0.04 1.49 1.38 2q3mA6 ILE 50 HG13 0.12 0.01 0.02 -0.04 1.21 1.32 2q3mA6 ILE 50 HG23 -0.33 0.02 -0.13 -0.04 0.93 0.44 2q3mA6 ILE 50 HD13 0.10 0.01 -0.09 -0.04 0.88 0.86 2q3mA6 LEU 51 H -0.11 0.30 -0.03 -0.55 8.37 7.99 2q3mA6 LEU 51 HA -0.27 0.00 0.27 -0.75 4.35 3.60 2q3mA6 LEU 51 HB2 -0.05 0.00 0.03 -0.04 1.64 1.59 2q3mA6 LEU 51 HB3 -0.16 0.11 -0.02 -0.04 1.64 1.53 2q3mA6 LEU 51 HG -0.37 0.02 -0.12 -0.04 1.64 1.13 2q3mA6 LEU 51 HD13 -0.75 -0.01 0.02 -0.04 0.93 0.15 2q3mA6 LEU 51 HD23 -0.16 0.02 -0.09 -0.04 0.89 0.62 2q3mA6 GLN 52 H -0.14 0.19 -0.91 -0.55 8.47 7.06 2q3mA6 GLN 52 HA -0.11 0.06 0.39 -0.75 4.36 3.94 2q3mA6 GLN 52 HB2 0.07 0.07 0.19 -0.04 2.15 2.43 2q3mA6 GLN 52 HB3 0.08 0.05 0.01 -0.04 2.02 2.12 2q3mA6 GLN 52 HG2 -0.03 0.12 0.01 -0.04 2.40 2.47 2q3mA6 GLN 52 HG3 0.13 0.02 0.01 -0.04 2.39 2.51 2q3mA6 GLN 52 HE21 -0.08 0.00 -0.07 -0.04 6.97 6.78 2q3mA6 GLN 52 HE22 -0.07 0.00 -0.05 -0.04 7.69 7.54 2q3mA6 GLY 53 H 0.03 0.24 0.10 -0.55 8.43 8.26 2q3mA6 GLY 53 HA2 0.15 -0.03 0.08 -0.51 4.01 3.69 2q3mA6 GLY 53 HA3 -0.01 0.43 0.42 -0.51 4.01 4.34 2q3mA6 ILE 54 H -0.16 0.38 -0.78 -0.55 8.25 7.14 2q3mA6 ILE 54 HA -0.18 -0.03 0.43 -0.75 4.18 3.65 2q3mA6 ILE 54 HB -0.22 0.11 0.01 -0.04 1.89 1.75 2q3mA6 ILE 54 HG12 -0.16 -0.07 -0.08 -0.04 1.49 1.14 2q3mA6 ILE 54 HG13 -0.22 0.01 -0.27 -0.04 1.21 0.68 2q3mA6 ILE 54 HG23 -0.01 0.01 -0.14 -0.04 0.93 0.75 2q3mA6 ILE 54 HD13 -0.43 -0.02 -0.15 -0.04 0.88 0.24 2q3mA6 LEU 55 H -0.21 0.92 0.29 -0.55 8.37 8.81 2q3mA6 LEU 55 HA -0.14 -0.04 0.44 -0.75 4.35 3.85 2q3mA6 LEU 55 HB2 -0.19 0.02 0.25 -0.04 1.64 1.68 2q3mA6 LEU 55 HB3 -0.17 -0.08 0.08 -0.04 1.64 1.43 2q3mA6 LEU 55 HG -0.57 0.13 0.17 -0.04 1.64 1.32 2q3mA6 LEU 55 HD13 -0.31 -0.04 -0.08 -0.04 0.93 0.46 2q3mA6 LEU 55 HD23 -0.62 -0.02 0.03 -0.04 0.89 0.24 2q3mA6 ILE 56 H -0.11 1.05 -0.43 -0.55 8.25 8.21 2q3mA6 ILE 56 HA -0.04 0.07 0.59 -0.75 4.18 4.05 2q3mA6 ILE 56 HB 0.11 -0.00 -0.30 -0.04 1.89 1.65 2q3mA6 ILE 56 HG12 0.02 -0.01 -0.09 -0.04 1.49 1.37 2q3mA6 ILE 56 HG13 -0.03 -0.04 -0.22 -0.04 1.21 0.87 2q3mA6 ILE 56 HG23 0.25 0.00 0.06 -0.04 0.93 1.20 2q3mA6 ILE 56 HD13 0.06 -0.04 -0.16 -0.04 0.88 0.69 2q3mA6 CYS 57 H -0.32 0.30 -0.34 -0.55 8.50 7.59 2q3mA6 CYS 57 HA -2.10 0.06 0.71 -0.75 4.58 2.50 2q3mA6 CYS 57 HB2 -0.62 0.03 0.10 -0.04 2.97 2.44 2q3mA6 CYS 57 HB3 -0.37 0.02 0.36 -0.04 2.97 2.94 2q3mA6 GLN 58 H -0.20 0.88 0.18 -0.55 8.47 8.78 2q3mA6 GLN 58 HA -0.08 -0.02 0.41 -0.75 4.36 3.92 2q3mA6 GLN 58 HB2 -0.04 0.03 0.14 -0.04 2.15 2.24 2q3mA6 GLN 58 HB3 -0.01 -0.04 -0.02 -0.04 2.02 1.91 2q3mA6 GLN 58 HG2 -0.03 0.09 -0.07 -0.04 2.40 2.35 2q3mA6 GLN 58 HG3 -0.05 0.05 0.01 -0.04 2.39 2.35 2q3mA6 GLN 58 HE21 0.12 -0.10 -0.01 -0.04 6.97 6.93 2q3mA6 GLN 58 HE22 0.05 0.58 0.08 -0.04 7.69 8.36 2q3mA6 LYS 59 H -0.08 0.29 -0.20 -0.55 8.42 7.87 2q3mA6 LYS 59 HA -0.01 0.07 0.50 -0.75 4.32 4.13 2q3mA6 LYS 59 HB2 -0.01 0.05 -0.01 -0.04 1.87 1.85 2q3mA6 LYS 59 HB3 -0.00 -0.05 0.08 -0.04 1.79 1.78 2q3mA6 LYS 59 HG2 -0.01 -0.07 0.03 -0.04 1.46 1.36 2q3mA6 LYS 59 HG3 -0.04 0.17 0.17 -0.04 1.46 1.72 2q3mA6 LYS 59 HD2 -0.03 -0.06 0.06 -0.04 1.69 1.62 2q3mA6 LYS 59 HD3 -0.02 0.02 0.05 -0.04 1.68 1.69 2q3mA6 LYS 59 HE2 -0.01 -0.01 0.01 -0.04 2.99 2.94 2q3mA6 LYS 59 HE3 -0.00 -0.01 0.02 -0.04 2.99 2.96 2q3mA6 ARG 60 H -0.09 0.07 -0.61 -0.55 8.46 7.28 2q3mA6 ARG 60 HA 0.07 0.22 0.99 -0.75 4.34 4.86 2q3mA6 ARG 60 HB2 0.23 0.30 0.16 -0.04 1.90 2.55 2q3mA6 ARG 60 HB3 0.31 -0.08 0.10 -0.04 1.80 2.09 2q3mA6 ARG 60 HG2 0.10 -0.05 -0.09 -0.04 1.67 1.59 2q3mA6 ARG 60 HG3 0.07 -0.07 -0.09 -0.04 1.67 1.55 2q3mA6 ARG 60 HD2 0.30 0.16 0.12 -0.04 3.22 3.76 2q3mA6 ARG 60 HD3 0.19 -0.04 0.06 -0.04 3.22 3.39 2q3mA6 PHE 61 H 0.04 0.62 0.00 -0.55 8.34 8.45 2q3mA6 PHE 61 HA 0.13 0.07 0.76 -0.75 4.62 4.83 2q3mA6 PHE 61 HB2 -0.18 -0.05 0.11 -0.04 3.15 3.00 2q3mA6 PHE 61 HB3 -0.15 0.04 0.13 -0.04 3.06 3.03 2q3mA6 PHE 61 HD2 -0.12 -0.07 -0.26 -0.04 7.28 6.79 2q3mA6 PHE 61 HE2 -0.40 -0.06 -0.15 -0.04 7.38 6.73 2q3mA6 PHE 61 HZ -0.09 -0.01 -0.09 -0.04 7.32 7.09 2q3mA6 GLU 62 H -0.46 0.20 0.18 -0.55 8.60 7.96 2q3mA6 GLU 62 HA -0.04 0.04 0.70 -0.75 4.29 4.24 2q3mA6 GLU 62 HB2 -0.10 0.03 0.07 -0.04 2.09 2.05 2q3mA6 GLU 62 HB3 -0.15 0.02 0.02 -0.04 1.99 1.83 2q3mA6 GLU 62 HG2 -0.03 0.00 -0.01 -0.04 2.34 2.26 2q3mA6 GLU 62 HG3 -0.04 -0.02 -0.01 -0.04 2.34 2.23 2q3mA6 ALA 63 H 0.03 -0.01 -0.00 -0.55 8.40 7.87 2q3mA6 ALA 63 HA 0.13 0.10 0.45 -0.75 4.34 4.27 2q3mA6 ALA 63 HB3 0.14 0.06 -0.30 -0.04 1.41 1.26 2q3mA6 LYS 64 H 0.08 0.26 0.17 -0.55 8.42 8.38 2q3mA6 LYS 64 HA 0.01 0.17 0.70 -0.75 4.32 4.44 2q3mA6 LYS 64 HB2 0.05 -0.01 0.05 -0.04 1.87 1.92 2q3mA6 LYS 64 HB3 0.03 -0.10 0.04 -0.04 1.79 1.72 2q3mA6 LYS 64 HG2 -0.01 0.04 -0.01 -0.04 1.46 1.44 2q3mA6 LYS 64 HG3 -0.04 0.07 -0.20 -0.04 1.46 1.26 2q3mA6 LYS 64 HD2 0.04 0.02 -0.07 -0.04 1.69 1.64 2q3mA6 LYS 64 HD3 0.03 -0.06 -0.02 -0.04 1.68 1.59 2q3mA6 LYS 64 HE2 0.03 0.05 -0.01 -0.04 2.99 3.01 2q3mA6 LYS 64 HE3 0.00 -0.03 -0.01 -0.04 2.99 2.91 2q3mA6 ASP 65 H 0.02 0.17 0.11 -0.55 8.40 8.15 2q3mA6 ASP 65 HA 0.03 0.06 0.40 -0.75 4.63 4.36 2q3mA6 ASP 65 HB2 0.01 -0.03 0.10 -0.04 2.71 2.75 2q3mA6 ASP 65 HB3 0.01 0.14 -0.04 -0.04 2.70 2.76 2q3mA6 SER 66 H 0.02 -0.01 -0.14 -0.55 8.46 7.79 2q3mA6 SER 66 HA 0.01 0.25 0.58 -0.75 4.49 4.58 2q3mA6 SER 66 HB2 0.02 0.03 0.16 -0.04 3.95 4.12 2q3mA6 SER 66 HB3 0.01 -0.00 0.07 -0.04 3.93 3.97 2q3mA6 ASP 67 H 0.06 0.22 -0.54 -0.55 8.40 7.59 2q3mA6 ASP 67 HA 0.08 0.03 0.50 -0.75 4.63 4.48 2q3mA6 ASP 67 HB2 0.10 0.05 0.06 -0.04 2.71 2.89 2q3mA6 ASP 67 HB3 0.12 0.06 -0.01 -0.04 2.70 2.83 2q3mA6 ILE 68 H 0.08 0.72 0.36 -0.55 8.25 8.86 2q3mA6 ILE 68 HA 0.08 0.21 0.84 -0.75 4.18 4.55 2q3mA6 ILE 68 HB 0.07 -0.07 0.09 -0.04 1.89 1.94 2q3mA6 ILE 68 HG12 0.03 -0.06 -0.07 -0.04 1.49 1.35 2q3mA6 ILE 68 HG13 0.03 0.13 -0.10 -0.04 1.21 1.23 2q3mA6 ILE 68 HG23 0.09 -0.03 -0.19 -0.04 0.93 0.76 2q3mA6 ILE 68 HD13 0.03 -0.05 -0.26 -0.04 0.88 0.56 2q3mA6 ILE 69 H 0.11 0.66 0.17 -0.55 8.25 8.64 2q3mA6 ILE 69 HA 0.06 0.24 1.05 -0.75 4.18 4.77 2q3mA6 ILE 69 HB 0.09 0.10 0.16 -0.04 1.89 2.20 2q3mA6 ILE 69 HG12 0.02 -0.02 -0.20 -0.04 1.49 1.25 2q3mA6 ILE 69 HG13 0.07 0.04 -0.37 -0.04 1.21 0.91 2q3mA6 ILE 69 HG23 0.04 -0.03 -0.24 -0.04 0.93 0.66 2q3mA6 ILE 69 HD13 0.01 -0.02 -0.14 -0.04 0.88 0.69 2q3mA6 LEU 70 H 0.06 0.59 0.31 -0.55 8.37 8.78 2q3mA6 LEU 70 HA 0.02 0.04 0.64 -0.75 4.35 4.30 2q3mA6 LEU 70 HB2 0.04 -0.08 -0.04 -0.04 1.64 1.52 2q3mA6 LEU 70 HB3 0.01 -0.07 -0.08 -0.04 1.64 1.47 2q3mA6 LEU 70 HG 0.07 0.16 -0.02 -0.04 1.64 1.80 2q3mA6 LEU 70 HD13 0.06 -0.03 -0.19 -0.04 0.93 0.73 2q3mA6 LEU 70 HD23 0.05 0.00 -0.18 -0.04 0.89 0.72 2q3mA6 VAL 71 H -0.08 0.19 0.01 -0.55 8.24 7.81 2q3mA6 VAL 71 HA 0.05 0.27 1.09 -0.75 4.13 4.78 2q3mA6 VAL 71 HB -0.03 -0.12 0.18 -0.04 2.12 2.11 2q3mA6 VAL 71 HG13 -0.08 0.02 -0.07 -0.04 0.97 0.80 2q3mA6 VAL 71 HG23 -0.12 0.14 -0.14 -0.04 0.95 0.80 2q3mA6 THR 72 H 0.15 0.42 0.24 -0.55 8.28 8.55 2q3mA6 THR 72 HA -0.20 0.25 0.84 -0.75 4.39 4.53 2q3mA6 THR 72 HB -0.05 -0.09 0.07 -0.04 4.32 4.21 2q3mA6 THR 72 HG23 0.01 -0.00 -0.28 -0.04 1.22 0.91 2q3mA6 ASN 73 H -0.13 0.10 0.14 -0.55 8.53 8.09 2q3mA6 ASN 73 HA -0.21 0.29 0.95 -0.75 4.76 5.03 2q3mA6 ASN 73 HB2 -0.11 0.09 0.11 -0.04 2.88 2.94 2q3mA6 ASN 73 HB3 -0.01 -0.00 0.00 -0.04 2.79 2.74 2q3mA6 ASN 73 HD21 -0.07 -0.06 -0.15 -0.04 7.03 6.71 2q3mA6 ASN 73 HD22 -0.07 0.15 -0.11 -0.04 7.74 7.68 2q3mA6 PRO 74 HA -0.61 -0.04 0.37 -0.51 4.44 3.65 2q3mA6 PRO 74 HB2 -0.10 0.07 0.02 -0.04 2.28 2.22 2q3mA6 PRO 74 HB3 -0.10 -0.02 0.04 -0.04 2.02 1.90 2q3mA6 PRO 74 HG2 -0.04 0.06 0.10 -0.04 2.03 2.11 2q3mA6 PRO 74 HG3 -0.11 0.00 0.09 -0.04 2.03 1.98 2q3mA6 PRO 74 HD2 -0.18 0.15 0.19 -0.04 3.68 3.80 2q3mA6 PRO 74 HD3 -0.35 0.23 0.29 -0.04 3.65 3.77 2q3mA6 LYS 75 H -0.24 0.10 0.15 -0.55 8.42 7.88 2q3mA6 LYS 75 HA -0.19 0.02 0.32 -0.75 4.32 3.71 2q3mA6 LYS 75 HB2 -0.12 0.19 -0.23 -0.04 1.87 1.66 2q3mA6 LYS 75 HB3 -0.08 0.06 0.06 -0.04 1.79 1.79 2q3mA6 LYS 75 HG2 -0.32 -0.13 -0.30 -0.04 1.46 0.67 2q3mA6 LYS 75 HG3 -0.43 0.05 -0.10 -0.04 1.46 0.94 2q3mA6 LYS 75 HD2 -1.38 0.06 0.03 -0.04 1.69 0.35 2q3mA6 LYS 75 HD3 -0.55 -0.05 0.04 -0.04 1.68 1.07 2q3mA6 LYS 75 HE2 -0.61 -0.08 -0.04 -0.04 2.99 2.22 2q3mA6 LYS 75 HE3 -1.86 0.06 -0.03 -0.04 2.99 1.11 2q3mA6 SER 76 H -0.18 0.32 -0.48 -0.55 8.46 7.57 2q3mA6 SER 76 HA -0.10 0.04 0.49 -0.75 4.49 4.17 2q3mA6 SER 76 HB2 -0.19 -0.07 0.00 -0.04 3.95 3.65 2q3mA6 SER 76 HB3 -0.15 0.05 -0.02 -0.04 3.93 3.77 2q3mA6 GLY 77 H -0.14 0.13 0.11 -0.55 8.43 7.98 2q3mA6 GLY 77 HA2 -0.00 0.12 0.65 -0.51 4.01 4.27 2q3mA6 GLY 77 HA3 -0.04 0.06 0.35 -0.51 4.01 3.87 2q3mA6 THR 78 H 0.05 0.24 0.13 -0.55 8.28 8.15 2q3mA6 THR 78 HA 0.10 0.16 0.76 -0.75 4.39 4.66 2q3mA6 THR 78 HB 0.07 0.00 -0.00 -0.04 4.32 4.35 2q3mA6 THR 78 HG23 0.02 0.06 -0.21 -0.04 1.22 1.05 2q3mA6 THR 79 H 0.07 0.11 -0.02 -0.55 8.28 7.90 2q3mA6 THR 79 HA 0.02 0.07 0.29 -0.75 4.39 4.02 2q3mA6 THR 79 HB -0.01 0.04 0.03 -0.04 4.32 4.34 2q3mA6 THR 79 HG23 -0.11 0.02 0.00 -0.04 1.22 1.09 2q3mA6 TRP 80 H 0.31 0.02 -0.60 -0.55 7.97 7.14 2q3mA6 TRP 80 HA -0.02 0.19 0.43 -0.75 4.62 4.47 2q3mA6 TRP 80 HB2 0.07 0.05 -0.00 -0.04 3.23 3.32 2q3mA6 TRP 80 HB3 0.19 -0.08 0.02 -0.04 3.23 3.32 2q3mA6 TRP 80 HD1 -0.05 0.06 0.03 -0.04 7.22 7.21 2q3mA6 TRP 80 HE1 -0.04 0.08 -0.05 -0.04 10.20 10.15 2q3mA6 TRP 80 HE3 -0.34 -0.06 -0.09 -0.04 7.59 7.06 2q3mA6 TRP 80 HZ2 -0.07 0.01 -0.02 -0.04 7.44 7.32 2q3mA6 TRP 80 HZ3 -0.64 -0.06 -0.27 -0.04 7.13 6.12 2q3mA6 TRP 80 HH2 -0.16 0.21 -0.11 -0.04 7.19 7.08 2q3mA6 LEU 81 H 0.31 0.10 -0.05 -0.55 8.37 8.19 2q3mA6 LEU 81 HA -0.31 0.05 0.36 -0.75 4.35 3.71 2q3mA6 LEU 81 HB2 0.14 -0.03 0.04 -0.04 1.64 1.75 2q3mA6 LEU 81 HB3 0.10 0.04 0.02 -0.04 1.64 1.76 2q3mA6 LEU 81 HG -0.01 0.05 -0.32 -0.04 1.64 1.32 2q3mA6 LEU 81 HD13 -0.11 -0.00 -0.04 -0.04 0.93 0.73 2q3mA6 LEU 81 HD23 0.01 -0.01 -0.14 -0.04 0.89 0.71 2q3mA6 LYS 82 H 0.07 0.37 -0.41 -0.55 8.42 7.89 2q3mA6 LYS 82 HA 0.07 0.06 0.28 -0.75 4.32 3.98 2q3mA6 LYS 82 HB2 0.06 0.01 0.02 -0.04 1.87 1.91 2q3mA6 LYS 82 HB3 0.09 0.06 -0.07 -0.04 1.79 1.83 2q3mA6 LYS 82 HG2 0.09 0.02 -0.11 -0.04 1.46 1.42 2q3mA6 LYS 82 HG3 0.09 0.13 -0.07 -0.04 1.46 1.57 2q3mA6 LYS 82 HD2 0.10 -0.14 -0.22 -0.04 1.69 1.39 2q3mA6 LYS 82 HD3 0.10 0.23 -0.16 -0.04 1.68 1.81 2q3mA6 LYS 82 HE2 0.12 0.17 -0.11 -0.04 2.99 3.13 2q3mA6 LYS 82 HE3 0.13 -0.16 -0.24 -0.04 2.99 2.68 2q3mA6 ALA 83 H 0.03 0.37 -0.14 -0.55 8.40 8.10 2q3mA6 ALA 83 HA 0.08 -0.02 0.30 -0.75 4.34 3.95 2q3mA6 ALA 83 HB3 0.02 0.05 0.14 -0.04 1.41 1.57 2q3mA6 LEU 84 H -0.22 0.43 -0.10 -0.55 8.37 7.93 2q3mA6 LEU 84 HA -0.12 0.01 0.32 -0.75 4.35 3.81 2q3mA6 LEU 84 HB2 -0.35 0.07 0.06 -0.04 1.64 1.37 2q3mA6 LEU 84 HB3 -0.27 -0.03 -0.07 -0.04 1.64 1.23 2q3mA6 LEU 84 HG -0.70 0.07 0.01 -0.04 1.64 0.98 2q3mA6 LEU 84 HD13 -1.43 -0.02 -0.11 -0.04 0.93 -0.67 2q3mA6 LEU 84 HD23 -0.24 -0.00 -0.08 -0.04 0.89 0.52 2q3mA6 VAL 85 H -0.06 0.60 -0.23 -0.55 8.24 8.00 2q3mA6 VAL 85 HA -0.03 0.01 0.42 -0.75 4.13 3.78 2q3mA6 VAL 85 HB 0.05 0.03 0.08 -0.04 2.12 2.23 2q3mA6 VAL 85 HG13 0.03 -0.01 -0.12 -0.04 0.97 0.83 2q3mA6 VAL 85 HG23 -0.04 0.05 -0.02 -0.04 0.95 0.90 2q3mA6 PHE 86 H 0.19 1.35 0.12 -0.55 8.34 9.45 2q3mA6 PHE 86 HA 0.05 0.03 0.38 -0.75 4.62 4.33 2q3mA6 PHE 86 HB2 0.06 -0.02 -0.01 -0.04 3.15 3.14 2q3mA6 PHE 86 HB3 0.06 -0.02 0.03 -0.04 3.06 3.09 2q3mA6 PHE 86 HD2 0.15 0.04 -0.22 -0.04 7.28 7.21 2q3mA6 PHE 86 HE2 -0.05 0.03 -0.04 -0.04 7.38 7.27 2q3mA6 PHE 86 HZ -0.16 0.01 -0.03 -0.04 7.32 7.09 2q3mA6 ALA 87 H 0.22 0.86 -0.07 -0.55 8.40 8.86 2q3mA6 ALA 87 HA 0.29 0.03 0.28 -0.75 4.34 4.18 2q3mA6 ALA 87 HB3 0.04 -0.02 0.02 -0.04 1.41 1.41 2q3mA6 LEU 88 H -0.00 0.57 -0.19 -0.55 8.37 8.20 2q3mA6 LEU 88 HA -0.05 -0.07 0.38 -0.75 4.35 3.85 2q3mA6 LEU 88 HB2 -0.05 -0.07 0.10 -0.04 1.64 1.58 2q3mA6 LEU 88 HB3 -0.04 0.14 0.22 -0.04 1.64 1.92 2q3mA6 LEU 88 HG -0.05 0.04 -0.34 -0.04 1.64 1.24 2q3mA6 LEU 88 HD13 -0.06 -0.04 -0.04 -0.04 0.93 0.75 2q3mA6 LEU 88 HD23 -0.03 -0.01 -0.13 -0.04 0.89 0.67 2q3mA6 LEU 89 H -0.08 0.70 -0.15 -0.55 8.37 8.30 2q3mA6 LEU 89 HA -0.10 0.00 0.47 -0.75 4.35 3.97 2q3mA6 LEU 89 HB2 -0.14 0.11 0.12 -0.04 1.64 1.69 2q3mA6 LEU 89 HB3 -0.10 -0.03 0.05 -0.04 1.64 1.51 2q3mA6 LEU 89 HG -0.03 0.08 0.04 -0.04 1.64 1.69 2q3mA6 LEU 89 HD13 0.00 -0.01 -0.07 -0.04 0.93 0.81 2q3mA6 LEU 89 HD23 -0.04 -0.02 -0.00 -0.04 0.89 0.79 2q3mA6 ASN 90 H -0.17 0.47 -0.33 -0.55 8.53 7.95 2q3mA6 ASN 90 HA -0.13 0.07 0.82 -0.75 4.76 4.77 2q3mA6 ASN 90 HB2 -0.39 0.22 0.10 -0.04 2.88 2.77 2q3mA6 ASN 90 HB3 0.09 -0.19 0.22 -0.04 2.79 2.87 2q3mA6 ASN 90 HD21 -0.71 0.03 -0.03 -0.04 7.03 6.28 2q3mA6 ASN 90 HD22 -1.38 0.28 0.07 -0.04 7.74 6.66 2q3mA6 ARG 91 H -0.16 0.34 -0.38 -0.55 8.46 7.70 2q3mA6 ARG 91 HA 0.05 0.17 0.31 -0.75 4.34 4.12 2q3mA6 ARG 91 HB2 -0.02 -0.20 0.16 -0.04 1.90 1.80 2q3mA6 ARG 91 HB3 -0.07 0.19 0.17 -0.04 1.80 2.05 2q3mA6 ARG 91 HG2 -0.45 0.11 0.01 -0.04 1.67 1.31 2q3mA6 ARG 91 HG3 -0.50 -0.10 -0.19 -0.04 1.67 0.84 2q3mA6 ARG 91 HD2 -0.06 -0.16 0.02 -0.04 3.22 2.98 2q3mA6 ARG 91 HD3 -0.11 0.16 0.11 -0.04 3.22 3.33 2q3mA6 HIS 92 H -0.12 0.01 -0.51 -0.55 8.41 7.24 2q3mA6 HIS 92 HA -0.01 0.12 0.74 -0.75 4.63 4.73 2q3mA6 HIS 92 HB2 -0.03 0.02 0.04 -0.04 3.26 3.25 2q3mA6 HIS 92 HB3 -0.03 -0.01 0.02 -0.04 3.20 3.14 2q3mA6 HIS 92 HD2 -0.01 0.03 -0.01 -0.04 6.97 6.93 2q3mA6 HIS 92 HE1 0.00 -0.05 -0.05 -0.04 7.75 7.60 2q3mA6 LYS 93 H -0.03 -0.00 -0.06 -0.55 8.42 7.77 2q3mA6 LYS 93 HA -0.18 0.03 0.39 -0.75 4.32 3.81 2q3mA6 LYS 93 HB2 -0.16 -0.01 0.12 -0.04 1.87 1.78 2q3mA6 LYS 93 HB3 -0.17 0.00 0.19 -0.04 1.79 1.78 2q3mA6 LYS 93 HG2 -1.63 0.02 -0.25 -0.04 1.46 -0.43 2q3mA6 LYS 93 HG3 -0.54 -0.04 -0.01 -0.04 1.46 0.83 2q3mA6 LYS 93 HD2 -0.12 0.02 0.01 -0.04 1.69 1.55 2q3mA6 LYS 93 HD3 -0.02 0.03 -0.00 -0.04 1.68 1.65 2q3mA6 LYS 93 HE2 -0.24 -0.02 -0.03 -0.04 2.99 2.65 2q3mA6 LYS 93 HE3 -0.16 -0.03 -0.01 -0.04 2.99 2.74 2q3mA6 PHE 94 H 0.04 0.51 0.07 -0.55 8.34 8.41 2q3mA6 PHE 94 HA -0.00 0.14 0.75 -0.75 4.62 4.75 2q3mA6 PHE 94 HB2 -0.14 -0.00 0.14 -0.04 3.15 3.11 2q3mA6 PHE 94 HB3 -0.25 -0.03 0.04 -0.04 3.06 2.78 2q3mA6 PHE 94 HD2 -0.05 0.04 0.04 -0.04 7.28 7.27 2q3mA6 PHE 94 HE2 0.05 0.01 -0.01 -0.04 7.38 7.39 2q3mA6 PHE 94 HZ 0.05 -0.00 -0.02 -0.04 7.32 7.31 2q3mA6 PRO 95 HA 0.14 0.24 0.36 -0.51 4.44 4.67 2q3mA6 PRO 95 HB2 0.10 -0.15 -0.03 -0.04 2.28 2.17 2q3mA6 PRO 95 HB3 0.09 0.02 0.08 -0.04 2.02 2.17 2q3mA6 PRO 95 HG2 0.06 -0.02 0.01 -0.04 2.03 2.04 2q3mA6 PRO 95 HG3 0.06 0.19 -0.06 -0.04 2.03 2.17 2q3mA6 PRO 95 HD2 0.11 0.01 0.10 -0.04 3.68 3.87 2q3mA6 PRO 95 HD3 0.04 0.41 -0.09 -0.04 3.65 3.97 2q3mA6 VAL 96 H 0.10 0.22 0.18 -0.55 8.24 8.20 2q3mA6 VAL 96 HA 0.08 0.15 0.43 -0.75 4.13 4.03 2q3mA6 VAL 96 HB 0.05 -0.05 0.10 -0.04 2.12 2.18 2q3mA6 VAL 96 HG13 0.01 -0.02 -0.28 -0.04 0.97 0.64 2q3mA6 VAL 96 HG23 0.04 0.03 -0.00 -0.04 0.95 0.98 2q3mA6 SER 97 H 0.08 0.08 -0.26 -0.55 8.46 7.81 2q3mA6 SER 97 HA 0.03 0.18 0.65 -0.75 4.49 4.60 2q3mA6 SER 97 HB2 0.03 0.02 0.11 -0.04 3.95 4.07 2q3mA6 SER 97 HB3 0.04 -0.02 0.02 -0.04 3.93 3.93 2q3mA6 SER 98 H 0.13 0.41 -0.60 -0.55 8.46 7.85 2q3mA6 SER 98 HA 0.08 0.04 0.26 -0.75 4.49 4.12 2q3mA6 SER 98 HB2 0.25 0.20 -0.11 -0.04 3.95 4.25 2q3mA6 SER 98 HB3 0.14 -0.11 -0.14 -0.04 3.93 3.77 2q3mA6 SER 99 H 0.04 0.12 -0.67 -0.55 8.46 7.40 2q3mA6 SER 99 HA -0.02 0.08 0.25 -0.75 4.49 4.04 2q3mA6 SER 99 HB2 -0.02 -0.09 0.19 -0.04 3.95 3.99 2q3mA6 SER 99 HB3 -0.00 0.07 0.00 -0.04 3.93 3.95 2q3mA6 GLY 100 H -0.01 0.12 0.19 -0.55 8.43 8.18 2q3mA6 GLY 100 HA2 -0.06 0.09 0.32 -0.51 4.01 3.85 2q3mA6 GLY 100 HA3 -0.02 0.02 0.31 -0.51 4.01 3.81 2q3mA6 ASN 101 H 0.03 0.46 -0.16 -0.55 8.53 8.32 2q3mA6 ASN 101 HA 0.03 0.06 0.40 -0.75 4.76 4.49 2q3mA6 ASN 101 HB2 0.07 0.22 0.07 -0.04 2.88 3.20 2q3mA6 ASN 101 HB3 0.08 -0.03 0.00 -0.04 2.79 2.80 2q3mA6 ASN 101 HD21 0.03 -0.04 0.01 -0.04 7.03 6.99 2q3mA6 ASN 101 HD22 0.05 0.01 0.02 -0.04 7.74 7.78 2q3mA6 HIS 102 H 0.11 0.36 -0.68 -0.55 8.41 7.66 2q3mA6 HIS 102 HA 0.04 0.18 0.44 -0.75 4.63 4.53 2q3mA6 HIS 102 HB2 0.03 0.04 -0.11 -0.04 3.26 3.18 2q3mA6 HIS 102 HB3 -0.02 -0.11 -0.02 -0.04 3.20 3.01 2q3mA6 HIS 102 HD2 0.14 0.31 -0.21 -0.04 6.97 7.16 2q3mA6 HIS 102 HE1 0.42 -0.01 -0.11 -0.04 7.75 8.01 2q3mA6 PRO 103 HA -0.21 0.10 0.34 -0.51 4.44 4.16 2q3mA6 PRO 103 HB2 -0.53 0.00 -0.03 -0.04 2.28 1.68 2q3mA6 PRO 103 HB3 -0.41 0.05 0.03 -0.04 2.02 1.64 2q3mA6 PRO 103 HG2 -1.88 0.08 0.05 -0.04 2.03 0.23 2q3mA6 PRO 103 HG3 -1.10 0.09 0.07 -0.04 2.03 1.05 2q3mA6 PRO 103 HD2 -1.31 0.09 0.14 -0.04 3.68 2.56 2q3mA6 PRO 103 HD3 -0.67 0.24 0.23 -0.04 3.65 3.41 2q3mA6 LEU 104 H 0.37 0.18 -0.31 -0.55 8.37 8.06 2q3mA6 LEU 104 HA -0.07 -0.04 0.32 -0.75 4.35 3.81 2q3mA6 LEU 104 HB2 0.18 0.04 -0.08 -0.04 1.64 1.74 2q3mA6 LEU 104 HB3 0.15 0.02 -0.08 -0.04 1.64 1.70 2q3mA6 LEU 104 HG 0.17 0.01 -0.07 -0.04 1.64 1.71 2q3mA6 LEU 104 HD13 0.10 0.02 -0.03 -0.04 0.93 0.98 2q3mA6 LEU 104 HD23 -0.14 -0.01 -0.08 -0.04 0.89 0.62 2q3mA6 LEU 105 H 0.10 0.24 -0.39 -0.55 8.37 7.77 2q3mA6 LEU 105 HA -0.02 0.11 0.59 -0.75 4.35 4.28 2q3mA6 LEU 105 HB2 -0.04 0.11 0.03 -0.04 1.64 1.69 2q3mA6 LEU 105 HB3 -0.15 -0.03 -0.04 -0.04 1.64 1.38 2q3mA6 LEU 105 HG -0.86 -0.01 -0.06 -0.04 1.64 0.67 2q3mA6 LEU 105 HD13 -0.11 -0.01 -0.28 -0.04 0.93 0.48 2q3mA6 LEU 105 HD23 -0.30 0.05 -0.14 -0.04 0.89 0.45 2q3mA6 VAL 106 H -0.02 0.44 -0.08 -0.55 8.24 8.03 2q3mA6 VAL 106 HA -0.02 0.06 0.43 -0.75 4.13 3.85 2q3mA6 VAL 106 HB -0.08 -0.16 -0.07 -0.04 2.12 1.77 2q3mA6 VAL 106 HG13 -0.03 -0.03 -0.16 -0.04 0.97 0.71 2q3mA6 VAL 106 HG23 -0.02 0.08 -0.30 -0.04 0.95 0.67 2q3mA6 THR 107 H -0.04 0.53 -0.23 -0.55 8.28 7.98 2q3mA6 THR 107 HA -0.02 0.15 0.88 -0.75 4.39 4.65 2q3mA6 THR 107 HB -0.09 -0.01 0.14 -0.04 4.32 4.31 2q3mA6 THR 107 HG23 -0.02 -0.01 -0.11 -0.04 1.22 1.04 2q3mA6 ASN 108 H -0.08 0.16 0.05 -0.55 8.53 8.12 2q3mA6 ASN 108 HA -0.00 0.27 0.35 -0.75 4.76 4.63 2q3mA6 ASN 108 HB2 0.01 0.48 0.58 -0.04 2.88 3.90 2q3mA6 ASN 108 HB3 0.01 -0.16 -0.06 -0.04 2.79 2.54 2q3mA6 ASN 108 HD21 -0.15 -0.09 0.06 -0.04 7.03 6.81 2q3mA6 ASN 108 HD22 -0.02 0.18 0.11 -0.04 7.74 7.97 2q3mA6 PRO 109 HA -0.13 0.09 0.29 -0.51 4.44 4.19 2q3mA6 PRO 109 HB2 -0.03 -0.03 0.04 -0.04 2.28 2.22 2q3mA6 PRO 109 HB3 -0.00 -0.01 0.04 -0.04 2.02 2.00 2q3mA6 PRO 109 HG2 -0.03 0.12 0.13 -0.04 2.03 2.20 2q3mA6 PRO 109 HG3 -0.02 0.03 0.10 -0.04 2.03 2.10 2q3mA6 PRO 109 HD2 -0.08 0.07 0.19 -0.04 3.68 3.83 2q3mA6 PRO 109 HD3 0.00 0.33 0.24 -0.04 3.65 4.19 2q3mA6 HIS 110 H 0.02 0.10 -0.35 -0.55 8.41 7.62 2q3mA6 HIS 110 HA 0.02 0.10 0.27 -0.75 4.63 4.27 2q3mA6 HIS 110 HB2 0.01 -0.00 0.03 -0.04 3.26 3.26 2q3mA6 HIS 110 HB3 0.02 0.06 -0.15 -0.04 3.20 3.09 2q3mA6 HIS 110 HD2 0.02 0.05 -0.02 -0.04 6.97 6.97 2q3mA6 HIS 110 HE1 -0.01 -0.10 -0.02 -0.04 7.75 7.58 2q3mA6 LEU 111 H 0.11 0.14 -0.09 -0.55 8.37 7.98 2q3mA6 LEU 111 HA 0.06 0.04 0.40 -0.75 4.35 4.10 2q3mA6 LEU 111 HB2 0.06 -0.04 0.03 -0.04 1.64 1.64 2q3mA6 LEU 111 HB3 0.04 0.03 0.02 -0.04 1.64 1.69 2q3mA6 LEU 111 HG 0.03 0.06 -0.24 -0.04 1.64 1.45 2q3mA6 LEU 111 HD13 0.07 -0.00 0.02 -0.04 0.93 0.97 2q3mA6 LEU 111 HD23 0.02 -0.00 -0.05 -0.04 0.89 0.82 2q3mA6 LEU 112 H -0.01 0.30 -0.37 -0.55 8.37 7.74 2q3mA6 LEU 112 HA -0.02 0.04 0.34 -0.75 4.35 3.95 2q3mA6 LEU 112 HB2 -0.20 -0.05 -0.07 -0.04 1.64 1.27 2q3mA6 LEU 112 HB3 -0.39 0.01 -0.17 -0.04 1.64 1.04 2q3mA6 LEU 112 HG -0.21 -0.03 -0.13 -0.04 1.64 1.23 2q3mA6 LEU 112 HD13 -0.79 -0.06 -0.40 -0.04 0.93 -0.37 2q3mA6 LEU 112 HD23 -0.24 0.02 -0.03 -0.04 0.89 0.60 2q3mA6 VAL 113 H 0.06 0.48 -0.38 -0.55 8.24 7.85 2q3mA6 VAL 113 HA 0.14 0.33 0.87 -0.75 4.13 4.72 2q3mA6 VAL 113 HB 0.10 -0.06 0.09 -0.04 2.12 2.21 2q3mA6 VAL 113 HG13 0.12 -0.01 -0.31 -0.04 0.97 0.73 2q3mA6 VAL 113 HG23 0.15 -0.03 -0.20 -0.04 0.95 0.83 2q3mA6 PRO 114 HA 0.08 0.03 0.42 -0.51 4.44 4.47 2q3mA6 PRO 114 HB2 0.08 -0.07 -0.12 -0.04 2.28 2.12 2q3mA6 PRO 114 HB3 0.01 0.07 0.06 -0.04 2.02 2.12 2q3mA6 PRO 114 HG2 0.20 -0.10 0.07 -0.04 2.03 2.16 2q3mA6 PRO 114 HG3 0.21 0.05 0.03 -0.04 2.03 2.28 2q3mA6 PRO 114 HD2 0.16 0.30 0.25 -0.04 3.68 4.35 2q3mA6 PRO 114 HD3 0.13 0.28 -0.10 -0.04 3.65 3.92 2q3mA6 PHE 115 H 0.16 0.16 0.13 -0.55 8.34 8.24 2q3mA6 PHE 115 HA -0.09 0.18 0.58 -0.75 4.62 4.54 2q3mA6 PHE 115 HB2 -0.09 0.10 0.06 -0.04 3.15 3.18 2q3mA6 PHE 115 HB3 -0.08 -0.01 0.19 -0.04 3.06 3.12 2q3mA6 PHE 115 HD2 -0.18 0.13 -0.10 -0.04 7.28 7.09 2q3mA6 PHE 115 HE2 -0.44 -0.01 -0.08 -0.04 7.38 6.80 2q3mA6 PHE 115 HZ -0.06 0.02 -0.07 -0.04 7.32 7.16 2q3mA6 LEU 116 H -0.08 0.91 0.33 -0.55 8.37 8.99 2q3mA6 LEU 116 HA -0.08 0.07 0.27 -0.75 4.35 3.86 2q3mA6 LEU 116 HB2 -0.25 -0.13 0.19 -0.04 1.64 1.40 2q3mA6 LEU 116 HB3 -0.29 0.04 -0.06 -0.04 1.64 1.29 2q3mA6 LEU 116 HG -0.23 0.10 -0.00 -0.04 1.64 1.47 2q3mA6 LEU 116 HD13 -0.59 0.01 -0.08 -0.04 0.93 0.23 2q3mA6 LEU 116 HD23 -0.68 0.01 -0.05 -0.04 0.89 0.13 2q3mA6 GLU 117 H -0.59 0.08 -0.04 -0.55 8.60 7.50 2q3mA6 GLU 117 HA -0.27 0.11 0.12 -0.75 4.29 3.49 2q3mA6 GLU 117 HB2 -1.54 -0.09 0.02 -0.04 2.09 0.44 2q3mA6 GLU 117 HB3 -0.47 0.04 -0.16 -0.04 1.99 1.36 2q3mA6 GLU 117 HG2 -0.10 -0.00 -0.07 -0.04 2.34 2.12 2q3mA6 GLU 117 HG3 -0.21 0.08 -0.07 -0.04 2.34 2.10 2q3mA6 GLY 118 H -1.57 0.05 -0.32 -0.55 8.43 6.05 2q3mA6 GLY 118 HA2 -0.05 0.00 0.45 -0.51 4.01 3.90 2q3mA6 GLY 118 HA3 -0.11 0.04 0.25 -0.51 4.01 3.67 2q3mA6 VAL 119 H -0.14 0.60 -0.01 -0.55 8.24 8.14 2q3mA6 VAL 119 HA -0.11 -0.01 0.42 -0.75 4.13 3.67 2q3mA6 VAL 119 HB 0.10 0.07 0.08 -0.04 2.12 2.33 2q3mA6 VAL 119 HG13 -0.99 0.01 -0.17 -0.04 0.97 -0.23 2q3mA6 VAL 119 HG23 -0.22 0.00 -0.04 -0.04 0.95 0.66 2q3mA6 TYR 120 H 0.12 0.57 -0.12 -0.55 8.29 8.31 2q3mA6 TYR 120 HA 0.07 0.11 0.21 -0.75 4.56 4.20 2q3mA6 TYR 120 HB2 -0.05 0.04 0.13 -0.04 3.06 3.15 2q3mA6 TYR 120 HB3 0.01 -0.11 -0.09 -0.04 2.98 2.76 2q3mA6 TYR 120 HD2 0.01 0.02 -0.07 -0.04 7.15 7.08 2q3mA6 TYR 120 HE2 -0.01 -0.02 0.01 -0.04 6.85 6.78 2q3mA6 TYR 121 H 0.14 0.24 -0.44 -0.55 8.29 7.68 2q3mA6 TYR 121 HA 0.01 0.00 0.50 -0.75 4.56 4.31 2q3mA6 TYR 121 HB2 -0.04 0.01 0.22 -0.04 3.06 3.20 2q3mA6 TYR 121 HB3 -0.04 0.05 0.26 -0.04 2.98 3.21 2q3mA6 TYR 121 HD2 -0.01 -0.01 0.04 -0.04 7.15 7.13 2q3mA6 TYR 121 HE2 0.00 0.00 -0.07 -0.04 6.85 6.74 2q3mA6 GLU 122 H -0.00 0.39 0.07 -0.55 8.60 8.52 2q3mA6 GLU 122 HA -0.48 -0.02 0.42 -0.75 4.29 3.46 2q3mA6 GLU 122 HB2 -0.10 -0.04 0.05 -0.04 2.09 1.96 2q3mA6 GLU 122 HB3 -0.09 -0.06 0.12 -0.04 1.99 1.91 2q3mA6 GLU 122 HG2 -0.02 0.28 0.21 -0.04 2.34 2.77 2q3mA6 GLU 122 HG3 -0.03 0.00 -0.06 -0.04 2.34 2.20 2q3mA6 SER 123 H -0.06 0.50 -0.35 -0.55 8.46 8.01 2q3mA6 SER 123 HA -0.04 0.10 0.74 -0.75 4.49 4.53 2q3mA6 SER 123 HB2 0.04 -0.02 0.19 -0.04 3.95 4.12 2q3mA6 SER 123 HB3 -0.00 -0.03 0.07 -0.04 3.93 3.92 2q3mA6 PRO 124 HA 0.06 0.25 0.41 -0.51 4.44 4.65 2q3mA6 PRO 124 HB2 0.05 -0.03 0.03 -0.04 2.28 2.29 2q3mA6 PRO 124 HB3 0.08 0.10 0.16 -0.04 2.02 2.32 2q3mA6 PRO 124 HG2 0.00 -0.15 0.10 -0.04 2.03 1.94 2q3mA6 PRO 124 HG3 -0.01 0.12 0.13 -0.04 2.03 2.23 2q3mA6 PRO 124 HD2 -0.01 0.02 0.06 -0.04 3.68 3.71 2q3mA6 PRO 124 HD3 -0.04 0.19 0.06 -0.04 3.65 3.82 2q3mA6 ASP 125 H 0.00 -0.02 -0.61 -0.55 8.40 7.23 2q3mA6 ASP 125 HA 0.05 0.31 0.89 -0.75 4.63 5.13 2q3mA6 ASP 125 HB2 -0.01 -0.04 -0.02 -0.04 2.71 2.60 2q3mA6 ASP 125 HB3 0.00 0.01 0.11 -0.04 2.70 2.78 2q3mA6 PHE 126 H 0.03 0.46 -0.14 -0.55 8.34 8.13 2q3mA6 PHE 126 HA -0.17 -0.03 0.33 -0.75 4.62 3.99 2q3mA6 PHE 126 HB2 -0.25 0.03 0.08 -0.04 3.15 2.96 2q3mA6 PHE 126 HB3 -0.45 0.03 -0.02 -0.04 3.06 2.58 2q3mA6 PHE 126 HD2 -0.47 -0.07 -0.53 -0.04 7.28 6.17 2q3mA6 PHE 126 HE2 -0.34 0.01 -0.21 -0.04 7.38 6.80 2q3mA6 PHE 126 HZ -0.19 0.07 -0.07 -0.04 7.32 7.08 2q3mA6 ASP 127 H -0.54 0.13 0.11 -0.55 8.40 7.55 2q3mA6 ASP 127 HA 0.08 0.25 0.95 -0.75 4.63 5.17 2q3mA6 ASP 127 HB2 -0.09 0.11 0.08 -0.04 2.71 2.76 2q3mA6 ASP 127 HB3 -0.15 -0.02 0.21 -0.04 2.70 2.70 2q3mA6 PHE 128 H 0.34 0.35 0.07 -0.55 8.34 8.55 2q3mA6 PHE 128 HA 0.43 0.09 0.41 -0.75 4.62 4.79 2q3mA6 PHE 128 HB2 0.10 0.03 0.10 -0.04 3.15 3.34 2q3mA6 PHE 128 HB3 0.18 0.05 0.01 -0.04 3.06 3.25 2q3mA6 PHE 128 HD2 0.13 0.07 -0.01 -0.04 7.28 7.43 2q3mA6 PHE 128 HE2 -0.62 0.03 -0.09 -0.04 7.38 6.66 2q3mA6 PHE 128 HZ -0.39 -0.09 -0.06 -0.04 7.32 6.75 2q3mA6 SER 129 H 0.13 0.05 -0.31 -0.55 8.46 7.79 2q3mA6 SER 129 HA 0.08 0.14 0.34 -0.75 4.49 4.30 2q3mA6 SER 129 HB2 0.02 0.02 0.10 -0.04 3.95 4.05 2q3mA6 SER 129 HB3 0.04 -0.03 0.08 -0.04 3.93 3.97 2q3mA6 SER 130 H 0.05 0.36 -0.60 -0.55 8.46 7.73 2q3mA6 SER 130 HA 0.01 0.12 0.69 -0.75 4.49 4.56 2q3mA6 SER 130 HB2 -0.06 -0.05 0.11 -0.04 3.95 3.91 2q3mA6 SER 130 HB3 -0.07 -0.11 0.04 -0.04 3.93 3.76 2q3mA6 LEU 131 H 0.14 0.33 -0.16 -0.55 8.37 8.13 2q3mA6 LEU 131 HA 0.10 0.08 0.65 -0.75 4.35 4.42 2q3mA6 LEU 131 HB2 0.23 0.05 0.06 -0.04 1.64 1.94 2q3mA6 LEU 131 HB3 0.19 0.08 0.10 -0.04 1.64 1.97 2q3mA6 LEU 131 HG 0.28 -0.07 0.03 -0.04 1.64 1.83 2q3mA6 LEU 131 HD13 0.33 -0.01 0.02 -0.04 0.93 1.23 2q3mA6 LEU 131 HD23 0.20 0.00 -0.01 -0.04 0.89 1.04 2q3mA6 PRO 132 HA 0.07 0.08 0.54 -0.51 4.44 4.62 2q3mA6 PRO 132 HB2 0.09 0.10 -0.06 -0.04 2.28 2.36 2q3mA6 PRO 132 HB3 0.08 -0.01 0.05 -0.04 2.02 2.10 2q3mA6 PRO 132 HG2 0.15 0.06 0.02 -0.04 2.03 2.22 2q3mA6 PRO 132 HG3 0.16 -0.00 0.05 -0.04 2.03 2.20 2q3mA6 PRO 132 HD2 0.15 0.08 0.21 -0.04 3.68 4.08 2q3mA6 PRO 132 HD3 0.11 0.12 0.19 -0.04 3.65 4.03 2q3mA6 SER 133 H 0.05 0.12 0.14 -0.55 8.46 8.22 2q3mA6 SER 133 HA 0.07 0.05 0.56 -0.75 4.49 4.41 2q3mA6 SER 133 HB2 0.04 -0.00 0.07 -0.04 3.95 4.01 2q3mA6 SER 133 HB3 0.04 -0.01 -0.01 -0.04 3.93 3.91 2q3mA6 PRO 134 HA 0.04 -0.07 0.29 -0.51 4.44 4.20 2q3mA6 PRO 134 HB2 0.02 0.11 -0.02 -0.04 2.28 2.35 2q3mA6 PRO 134 HB3 0.01 0.00 0.14 -0.04 2.02 2.13 2q3mA6 PRO 134 HG2 -0.02 0.00 0.09 -0.04 2.03 2.07 2q3mA6 PRO 134 HG3 -0.02 0.03 0.11 -0.04 2.03 2.11 2q3mA6 PRO 134 HD2 -0.00 0.09 0.16 -0.04 3.68 3.89 2q3mA6 PRO 134 HD3 0.00 0.03 0.31 -0.04 3.65 3.95 2q3mA6 ARG 135 H 0.08 0.02 0.02 -0.55 8.46 8.03 2q3mA6 ARG 135 HA 0.13 0.25 0.62 -0.75 4.34 4.60 2q3mA6 ARG 135 HB2 0.14 -0.15 0.12 -0.04 1.90 1.97 2q3mA6 ARG 135 HB3 0.19 0.03 -0.05 -0.04 1.80 1.93 2q3mA6 ARG 135 HG2 0.15 0.31 -0.25 -0.04 1.67 1.84 2q3mA6 ARG 135 HG3 0.11 -0.17 -0.16 -0.04 1.67 1.40 2q3mA6 ARG 135 HD2 0.26 -0.02 -0.06 -0.04 3.22 3.36 2q3mA6 ARG 135 HD3 0.15 0.14 -0.15 -0.04 3.22 3.32 2q3mA6 LEU 136 H 0.15 0.25 0.25 -0.55 8.37 8.48 2q3mA6 LEU 136 HA 0.10 0.20 0.91 -0.75 4.35 4.81 2q3mA6 LEU 136 HB2 0.09 0.03 0.03 -0.04 1.64 1.75 2q3mA6 LEU 136 HB3 0.22 0.02 0.17 -0.04 1.64 2.00 2q3mA6 LEU 136 HG 0.14 -0.02 -0.23 -0.04 1.64 1.49 2q3mA6 LEU 136 HD13 0.08 0.02 -0.08 -0.04 0.93 0.91 2q3mA6 LEU 136 HD23 0.20 -0.02 -0.14 -0.04 0.89 0.89 2q3mA6 MET 137 H 0.09 0.68 0.39 -0.55 8.47 9.09 2q3mA6 MET 137 HA 0.11 0.20 0.79 -0.75 4.52 4.87 2q3mA6 MET 137 HB2 0.02 0.01 -0.02 -0.04 2.15 2.11 2q3mA6 MET 137 HB3 -0.01 -0.07 0.07 -0.04 2.03 1.98 2q3mA6 MET 137 HG2 0.17 0.04 -0.07 -0.04 2.63 2.73 2q3mA6 MET 137 HG3 0.15 -0.04 -0.97 -0.04 2.56 1.65 2q3mA6 MET 137 HE3 0.17 0.03 -0.11 -0.04 2.10 2.15 2q3mA6 ASN 138 H 0.07 0.72 0.32 -0.55 8.53 9.10 2q3mA6 ASN 138 HA 0.07 0.29 1.09 -0.75 4.76 5.46 2q3mA6 ASN 138 HB2 0.09 0.04 -0.16 -0.04 2.88 2.81 2q3mA6 ASN 138 HB3 0.13 0.04 -0.06 -0.04 2.79 2.86 2q3mA6 ASN 138 HD21 0.10 -0.10 -0.10 -0.04 7.03 6.89 2q3mA6 ASN 138 HD22 0.07 0.21 0.06 -0.04 7.74 8.05 2q3mA6 THR 139 H 0.09 0.60 0.34 -0.55 8.28 8.76 2q3mA6 THR 139 HA 0.10 -0.08 0.64 -0.75 4.39 4.30 2q3mA6 THR 139 HB -0.05 0.08 -0.14 -0.04 4.32 4.17 2q3mA6 THR 139 HG23 0.10 0.08 -0.18 -0.04 1.22 1.18 2q3mA6 HIS 140 H 0.21 -0.00 0.16 -0.55 8.41 8.23 2q3mA6 HIS 140 HA 0.32 0.36 0.80 -0.75 4.63 5.36 2q3mA6 HIS 140 HB2 0.29 -0.07 -0.03 -0.04 3.26 3.42 2q3mA6 HIS 140 HB3 0.22 0.06 0.13 -0.04 3.20 3.56 2q3mA6 HIS 140 HD2 0.08 0.23 -0.43 -0.04 6.97 6.81 2q3mA6 HIS 140 HE1 -0.57 -0.04 -0.09 -0.04 7.75 7.01 2q3mA6 ILE 141 H 0.20 -0.10 0.04 -0.55 8.25 7.84 2q3mA6 ILE 141 HA 0.25 -0.02 0.32 -0.75 4.18 3.98 2q3mA6 ILE 141 HB 0.09 0.02 -0.04 -0.04 1.89 1.92 2q3mA6 ILE 141 HG12 -0.01 0.02 -0.02 -0.04 1.49 1.43 2q3mA6 ILE 141 HG13 0.00 -0.27 0.05 -0.04 1.21 0.96 2q3mA6 ILE 141 HG23 0.06 0.12 -0.30 -0.04 0.93 0.76 2q3mA6 ILE 141 HD13 -0.12 0.05 -0.04 -0.04 0.88 0.73 2q3mA6 SER 142 H 0.22 0.06 0.10 -0.55 8.46 8.29 2q3mA6 SER 142 HA -0.01 0.12 0.37 -0.75 4.49 4.22 2q3mA6 SER 142 HB2 0.08 0.08 0.06 -0.04 3.95 4.14 2q3mA6 SER 142 HB3 0.04 0.00 0.05 -0.04 3.93 3.99 2q3mA6 HIS 143 H -0.53 0.17 0.11 -0.55 8.41 7.63 2q3mA6 HIS 143 HA -0.28 0.15 0.27 -0.75 4.63 4.01 2q3mA6 HIS 143 HB2 -1.44 0.03 -0.05 -0.04 3.26 1.76 2q3mA6 HIS 143 HB3 -0.45 -0.09 -0.01 -0.04 3.20 2.61 2q3mA6 HIS 143 HD2 -0.08 -0.04 -0.09 -0.04 6.97 6.72 2q3mA6 HIS 143 HE1 0.07 0.09 -0.07 -0.04 7.75 7.81 2q3mA6 LEU 144 H -0.11 0.01 -0.30 -0.55 8.37 7.43 2q3mA6 LEU 144 HA -0.21 0.18 0.46 -0.75 4.35 4.02 2q3mA6 LEU 144 HB2 -0.08 0.01 -0.03 -0.04 1.64 1.49 2q3mA6 LEU 144 HB3 -0.09 0.03 0.08 -0.04 1.64 1.62 2q3mA6 LEU 144 HG -0.03 -0.09 0.01 -0.04 1.64 1.48 2q3mA6 LEU 144 HD13 -0.02 0.01 -0.01 -0.04 0.93 0.87 2q3mA6 LEU 144 HD23 -0.03 0.02 -0.10 -0.04 0.89 0.74 2q3mA6 SER 145 H -0.06 0.40 -0.58 -0.55 8.46 7.67 2q3mA6 SER 145 HA -0.05 0.23 0.83 -0.75 4.49 4.74 2q3mA6 SER 145 HB2 0.05 -0.09 -0.00 -0.04 3.95 3.86 2q3mA6 SER 145 HB3 0.06 -0.05 0.10 -0.04 3.93 4.00 2q3mA6 LEU 146 H -0.08 0.26 -0.39 -0.55 8.37 7.62 2q3mA6 LEU 146 HA -0.02 0.01 0.39 -0.75 4.35 3.97 2q3mA6 LEU 146 HB2 -0.07 0.10 -0.01 -0.04 1.64 1.61 2q3mA6 LEU 146 HB3 -0.00 -0.01 -0.07 -0.04 1.64 1.52 2q3mA6 LEU 146 HG 0.07 0.07 -0.14 -0.04 1.64 1.60 2q3mA6 LEU 146 HD13 0.17 0.03 -0.09 -0.04 0.93 0.99 2q3mA6 LEU 146 HD23 0.05 -0.03 -0.10 -0.04 0.89 0.77 2q3mA6 PRO 147 HA -0.00 0.11 0.51 -0.51 4.44 4.55 2q3mA6 PRO 147 HB2 0.14 -0.22 0.05 -0.04 2.28 2.21 2q3mA6 PRO 147 HB3 0.11 0.36 0.17 -0.04 2.02 2.62 2q3mA6 PRO 147 HG2 -0.26 -0.00 -0.02 -0.04 2.03 1.70 2q3mA6 PRO 147 HG3 -0.13 0.07 -0.10 -0.04 2.03 1.82 2q3mA6 PRO 147 HD2 -0.08 0.07 0.12 -0.04 3.68 3.75 2q3mA6 PRO 147 HD3 -0.10 0.12 0.14 -0.04 3.65 3.77 2q3mA6 GLU 148 H 0.01 0.24 0.22 -0.55 8.60 8.52 2q3mA6 GLU 148 HA -0.01 0.12 0.37 -0.75 4.29 4.02 2q3mA6 GLU 148 HB2 0.01 0.01 0.11 -0.04 2.09 2.17 2q3mA6 GLU 148 HB3 0.00 0.00 0.05 -0.04 1.99 2.00 2q3mA6 GLU 148 HG2 -0.00 0.03 0.14 -0.04 2.34 2.47 2q3mA6 GLU 148 HG3 -0.00 -0.01 0.05 -0.04 2.34 2.34 2q3mA6 SER 149 H 0.05 0.18 -0.28 -0.55 8.46 7.86 2q3mA6 SER 149 HA 0.03 0.11 0.42 -0.75 4.49 4.30 2q3mA6 SER 149 HB2 0.03 0.05 0.12 -0.04 3.95 4.11 2q3mA6 SER 149 HB3 0.02 0.12 0.14 -0.04 3.93 4.17 2q3mA6 VAL 150 H 0.09 0.30 -0.30 -0.55 8.24 7.78 2q3mA6 VAL 150 HA 0.10 -0.01 0.38 -0.75 4.13 3.85 2q3mA6 VAL 150 HB 0.04 0.18 0.03 -0.04 2.12 2.34 2q3mA6 VAL 150 HG13 0.08 0.02 -0.24 -0.04 0.97 0.79 2q3mA6 VAL 150 HG23 0.11 -0.04 -0.07 -0.04 0.95 0.91 2q3mA6 LYS 151 H 0.02 0.35 -0.21 -0.55 8.42 8.02 2q3mA6 LYS 151 HA 0.02 0.05 0.26 -0.75 4.32 3.89 2q3mA6 LYS 151 HB2 -0.01 0.06 0.07 -0.04 1.87 1.94 2q3mA6 LYS 151 HB3 -0.03 -0.04 -0.03 -0.04 1.79 1.65 2q3mA6 LYS 151 HG2 -0.13 0.01 -0.05 -0.04 1.46 1.26 2q3mA6 LYS 151 HG3 -0.05 0.06 -0.22 -0.04 1.46 1.21 2q3mA6 LYS 151 HD2 -0.06 -0.06 -0.06 -0.04 1.69 1.48 2q3mA6 LYS 151 HD3 -0.11 -0.05 -0.03 -0.04 1.68 1.45 2q3mA6 LYS 151 HE2 -0.20 0.06 -0.02 -0.04 2.99 2.79 2q3mA6 LYS 151 HE3 -0.09 0.16 -0.18 -0.04 2.99 2.83 2q3mA6 SER 152 H 0.02 0.33 -0.29 -0.55 8.46 7.98 2q3mA6 SER 152 HA 0.02 0.10 0.59 -0.75 4.49 4.45 2q3mA6 SER 152 HB2 0.01 -0.09 0.05 -0.04 3.95 3.88 2q3mA6 SER 152 HB3 0.01 -0.02 0.05 -0.04 3.93 3.93 2q3mA6 SER 153 H 0.04 0.36 -0.24 -0.55 8.46 8.08 2q3mA6 SER 153 HA 0.03 -0.05 0.40 -0.75 4.49 4.11 2q3mA6 SER 153 HB2 0.04 -0.20 -0.08 -0.04 3.95 3.66 2q3mA6 SER 153 HB3 0.05 0.17 0.05 -0.04 3.93 4.15 2q3mA6 SER 154 H 0.02 -0.03 0.11 -0.55 8.46 8.02 2q3mA6 SER 154 HA 0.03 0.27 0.83 -0.75 4.49 4.86 2q3mA6 SER 154 HB2 -0.00 0.07 0.21 -0.04 3.95 4.18 2q3mA6 SER 154 HB3 0.01 -0.03 0.09 -0.04 3.93 3.96 2q3mA6 CYS 155 H 0.05 -0.07 -0.40 -0.55 8.50 7.53 2q3mA6 CYS 155 HA 0.03 0.31 0.58 -0.75 4.58 4.75 2q3mA6 CYS 155 HB2 0.08 -0.04 0.06 -0.04 2.97 3.02 2q3mA6 CYS 155 HB3 0.07 -0.09 0.11 -0.04 2.97 3.02 2q3mA6 LYS 156 H 0.04 0.48 0.29 -0.55 8.42 8.67 2q3mA6 LYS 156 HA 0.10 0.34 0.74 -0.75 4.32 4.74 2q3mA6 LYS 156 HB2 0.04 -0.12 0.15 -0.04 1.87 1.89 2q3mA6 LYS 156 HB3 0.17 -0.09 -0.07 -0.04 1.79 1.76 2q3mA6 LYS 156 HG2 -0.14 0.06 0.01 -0.04 1.46 1.34 2q3mA6 LYS 156 HG3 -0.27 -0.09 -0.02 -0.04 1.46 1.04 2q3mA6 LYS 156 HD2 -1.92 -0.10 -0.15 -0.04 1.69 -0.52 2q3mA6 LYS 156 HD3 -0.36 0.17 -0.08 -0.04 1.68 1.37 2q3mA6 LYS 156 HE2 -0.26 -0.01 0.03 -0.04 2.99 2.71 2q3mA6 LYS 156 HE3 -0.45 0.02 0.04 -0.04 2.99 2.56 2q3mA6 ILE 157 H 0.39 0.58 0.20 -0.55 8.25 8.87 2q3mA6 ILE 157 HA 0.16 0.15 0.92 -0.75 4.18 4.66 2q3mA6 ILE 157 HB 0.24 0.06 0.18 -0.04 1.89 2.33 2q3mA6 ILE 157 HG12 0.17 -0.09 -0.21 -0.04 1.49 1.32 2q3mA6 ILE 157 HG13 0.18 0.03 -0.70 -0.04 1.21 0.68 2q3mA6 ILE 157 HG23 0.23 -0.03 -0.09 -0.04 0.93 1.01 2q3mA6 ILE 157 HD13 0.24 -0.02 -0.21 -0.04 0.88 0.85 2q3mA6 VAL 158 H 0.11 0.45 0.26 -0.55 8.24 8.51 2q3mA6 VAL 158 HA -0.10 0.07 0.70 -0.75 4.13 4.04 2q3mA6 VAL 158 HB 0.05 -0.02 0.04 -0.04 2.12 2.14 2q3mA6 VAL 158 HG13 -0.06 -0.05 -0.13 -0.04 0.97 0.69 2q3mA6 VAL 158 HG23 0.10 0.02 -0.09 -0.04 0.95 0.94 2q3mA6 TYR 159 H -0.07 0.11 -0.03 -0.55 8.29 7.75 2q3mA6 TYR 159 HA -0.24 0.09 0.81 -0.75 4.56 4.46 2q3mA6 TYR 159 HB2 -0.31 0.18 -0.13 -0.04 3.06 2.77 2q3mA6 TYR 159 HB3 -0.26 -0.01 0.18 -0.04 2.98 2.85 2q3mA6 TYR 159 HD2 -1.31 -0.02 -0.11 -0.04 7.15 5.67 2q3mA6 TYR 159 HE2 -0.04 -0.05 -0.16 -0.04 6.85 6.55 2q3mA6 CYS 160 H -0.72 1.05 0.31 -0.55 8.50 8.59 2q3mA6 CYS 160 HA -0.24 0.14 0.74 -0.75 4.58 4.47 2q3mA6 CYS 160 HB2 -0.11 -0.02 -0.03 -0.04 2.97 2.76 2q3mA6 CYS 160 HB3 -0.21 0.07 0.24 -0.04 2.97 3.03 2q3mA6 CYS 161 H -0.26 0.75 0.39 -0.55 8.50 8.83 2q3mA6 CYS 161 HA -0.11 0.15 0.59 -0.75 4.58 4.46 2q3mA6 CYS 161 HB2 -0.32 0.15 -0.01 -0.04 2.97 2.74 2q3mA6 CYS 161 HB3 0.19 -0.15 0.10 -0.04 2.97 3.07 2q3mA6 ARG 162 H 0.08 0.30 0.16 -0.55 8.46 8.44 2q3mA6 ARG 162 HA 0.09 0.03 0.90 -0.75 4.34 4.61 2q3mA6 ARG 162 HB2 -0.01 0.05 0.06 -0.04 1.90 1.96 2q3mA6 ARG 162 HB3 -0.01 -0.02 -0.07 -0.04 1.80 1.67 2q3mA6 ARG 162 HG2 -0.10 0.04 -0.21 -0.04 1.67 1.35 2q3mA6 ARG 162 HG3 -0.14 0.03 -0.04 -0.04 1.67 1.48 2q3mA6 ARG 162 HD2 -0.10 -0.02 -0.00 -0.04 3.22 3.06 2q3mA6 ARG 162 HD3 -0.09 -0.06 0.02 -0.04 3.22 3.05 2q3mA6 ASN 163 H 0.11 0.10 0.14 -0.55 8.53 8.33 2q3mA6 ASN 163 HA -0.26 0.17 0.41 -0.75 4.76 4.33 2q3mA6 ASN 163 HB2 0.13 0.07 0.19 -0.04 2.88 3.23 2q3mA6 ASN 163 HB3 0.04 -0.11 0.19 -0.04 2.79 2.86 2q3mA6 ASN 163 HD21 -0.05 0.07 -0.00 -0.04 7.03 7.00 2q3mA6 ASN 163 HD22 0.18 -0.00 0.07 -0.04 7.74 7.95 2q3mA6 PRO 164 HA -0.17 0.12 0.43 -0.51 4.44 4.31 2q3mA6 PRO 164 HB2 -0.45 0.01 0.02 -0.04 2.28 1.82 2q3mA6 PRO 164 HB3 -0.86 0.07 0.07 -0.04 2.02 1.26 2q3mA6 PRO 164 HG2 -0.38 0.09 0.04 -0.04 2.03 1.74 2q3mA6 PRO 164 HG3 -0.12 0.13 0.07 -0.04 2.03 2.06 2q3mA6 PRO 164 HD2 -1.06 0.05 0.18 -0.04 3.68 2.81 2q3mA6 PRO 164 HD3 -1.25 0.17 0.18 -0.04 3.65 2.70 2q3mA6 LYS 165 H -0.48 0.07 -0.39 -0.55 8.42 7.07 2q3mA6 LYS 165 HA -0.33 0.16 0.60 -0.75 4.32 4.00 2q3mA6 LYS 165 HB2 -1.45 -0.05 0.04 -0.04 1.87 0.37 2q3mA6 LYS 165 HB3 -1.02 0.01 -0.01 -0.04 1.79 0.73 2q3mA6 LYS 165 HG2 -0.54 0.06 0.02 -0.04 1.46 0.96 2q3mA6 LYS 165 HG3 -0.58 -0.03 -0.05 -0.04 1.46 0.76 2q3mA6 LYS 165 HD2 -1.36 -0.03 0.01 -0.04 1.69 0.28 2q3mA6 LYS 165 HD3 -0.61 0.19 0.07 -0.04 1.68 1.29 2q3mA6 LYS 165 HE2 -0.79 -0.06 -0.03 -0.04 2.99 2.07 2q3mA6 LYS 165 HE3 -2.69 -0.04 -0.03 -0.04 2.99 0.19 2q3mA6 ASP 166 H -0.17 0.17 -0.09 -0.55 8.40 7.76 2q3mA6 ASP 166 HA 0.16 0.00 0.55 -0.75 4.63 4.59 2q3mA6 ASP 166 HB2 0.07 0.06 0.12 -0.04 2.71 2.92 2q3mA6 ASP 166 HB3 0.06 0.06 -0.02 -0.04 2.70 2.76 2q3mA6 MET 167 H -0.06 0.39 -0.25 -0.55 8.47 7.99 2q3mA6 MET 167 HA -0.01 0.05 0.29 -0.75 4.52 4.10 2q3mA6 MET 167 HB2 0.12 0.07 0.12 -0.04 2.15 2.42 2q3mA6 MET 167 HB3 0.24 0.05 -0.03 -0.04 2.03 2.24 2q3mA6 MET 167 HG2 0.06 -0.01 0.01 -0.04 2.63 2.65 2q3mA6 MET 167 HG3 0.02 -0.04 -0.14 -0.04 2.56 2.36 2q3mA6 MET 167 HE3 0.27 0.05 0.08 -0.04 2.10 2.46 2q3mA6 PHE 168 H -0.19 0.38 -0.32 -0.55 8.34 7.65 2q3mA6 PHE 168 HA -0.82 0.09 0.53 -0.75 4.62 3.66 2q3mA6 PHE 168 HB2 -1.92 0.04 0.11 -0.04 3.15 1.33 2q3mA6 PHE 168 HB3 -0.56 0.08 0.19 -0.04 3.06 2.73 2q3mA6 PHE 168 HD2 -0.89 0.03 -0.08 -0.04 7.28 6.30 2q3mA6 PHE 168 HE2 -0.66 0.02 -0.20 -0.04 7.38 6.49 2q3mA6 PHE 168 HZ -1.00 -0.00 -0.05 -0.04 7.32 6.23 2q3mA6 VAL 169 H 0.01 0.58 0.01 -0.55 8.24 8.30 2q3mA6 VAL 169 HA -0.09 -0.02 0.31 -0.75 4.13 3.57 2q3mA6 VAL 169 HB 0.18 -0.02 0.16 -0.04 2.12 2.41 2q3mA6 VAL 169 HG13 0.29 0.01 -0.18 -0.04 0.97 1.05 2q3mA6 VAL 169 HG23 0.28 0.00 0.06 -0.04 0.95 1.25 2q3mA6 SER 170 H -0.01 0.58 -0.31 -0.55 8.46 8.17 2q3mA6 SER 170 HA 0.11 0.01 0.40 -0.75 4.49 4.26 2q3mA6 SER 170 HB2 -0.02 0.11 -0.05 -0.04 3.95 3.95 2q3mA6 SER 170 HB3 0.01 0.23 -0.09 -0.04 3.93 4.05 2q3mA6 LEU 171 H -0.08 0.36 -0.24 -0.55 8.37 7.87 2q3mA6 LEU 171 HA 0.06 0.02 0.47 -0.75 4.35 4.14 2q3mA6 LEU 171 HB2 -0.02 0.11 0.24 -0.04 1.64 1.93 2q3mA6 LEU 171 HB3 0.33 -0.12 -0.02 -0.04 1.64 1.79 2q3mA6 LEU 171 HG 0.04 0.17 0.02 -0.04 1.64 1.82 2q3mA6 LEU 171 HD13 0.35 -0.03 -0.07 -0.04 0.93 1.15 2q3mA6 LEU 171 HD23 -0.01 -0.05 -0.08 -0.04 0.89 0.71 2q3mA6 TRP 172 H -0.31 0.96 0.06 -0.55 7.97 8.13 2q3mA6 TRP 172 HA -0.01 -0.03 0.31 -0.75 4.62 4.13 2q3mA6 TRP 172 HB2 -1.73 -0.04 -0.03 -0.04 3.23 1.40 2q3mA6 TRP 172 HB3 -0.61 0.02 0.11 -0.04 3.23 2.72 2q3mA6 TRP 172 HD1 -0.43 0.00 -0.07 -0.04 7.22 6.68 2q3mA6 TRP 172 HE1 -0.04 0.03 -0.02 -0.04 10.20 10.13 2q3mA6 TRP 172 HE3 -0.26 -0.02 0.03 -0.04 7.59 7.29 2q3mA6 TRP 172 HZ2 0.03 -0.03 0.03 -0.04 7.44 7.43 2q3mA6 TRP 172 HZ3 -1.38 0.05 -0.05 -0.04 7.13 5.71 2q3mA6 TRP 172 HH2 -0.08 0.49 0.01 -0.04 7.19 7.56 2q3mA6 HIS 173 H -0.06 0.70 -0.07 -0.55 8.41 8.44 2q3mA6 HIS 173 HA -0.40 -0.00 0.35 -0.75 4.63 3.83 2q3mA6 HIS 173 HB2 -0.01 0.13 0.13 -0.04 3.26 3.47 2q3mA6 HIS 173 HB3 -0.09 -0.01 -0.05 -0.04 3.20 3.01 2q3mA6 HIS 173 HD2 0.07 -0.04 -0.09 -0.04 6.97 6.87 2q3mA6 HIS 173 HE1 0.09 0.02 -0.02 -0.04 7.75 7.80 2q3mA6 PHE 174 H 0.18 0.45 -0.29 -0.55 8.34 8.13 2q3mA6 PHE 174 HA -0.09 0.00 0.38 -0.75 4.62 4.16 2q3mA6 PHE 174 HB2 -0.05 0.29 0.23 -0.04 3.15 3.59 2q3mA6 PHE 174 HB3 -0.08 -0.02 0.11 -0.04 3.06 3.03 2q3mA6 PHE 174 HD2 -0.11 0.04 -0.07 -0.04 7.28 7.10 2q3mA6 PHE 174 HE2 -0.07 -0.02 -0.00 -0.04 7.38 7.25 2q3mA6 PHE 174 HZ -0.05 -0.03 -0.00 -0.04 7.32 7.20 2q3mA6 GLY 175 H 0.09 0.61 -0.16 -0.55 8.43 8.42 2q3mA6 GLY 175 HA2 -0.59 -0.01 0.45 -0.51 4.01 3.35 2q3mA6 GLY 175 HA3 -0.92 -0.06 0.29 -0.51 4.01 2.81 2q3mA6 LYS 176 H -0.06 0.48 0.10 -0.55 8.42 8.39 2q3mA6 LYS 176 HA 0.03 0.07 0.36 -0.75 4.32 4.02 2q3mA6 LYS 176 HB2 -1.22 -0.05 0.10 -0.04 1.87 0.66 2q3mA6 LYS 176 HB3 -0.56 0.03 0.04 -0.04 1.79 1.26 2q3mA6 LYS 176 HG2 -0.07 0.03 0.00 -0.04 1.46 1.38 2q3mA6 LYS 176 HG3 -0.28 -0.11 -0.03 -0.04 1.46 1.00 2q3mA6 LYS 176 HD2 -0.11 0.09 -0.35 -0.04 1.69 1.28 2q3mA6 LYS 176 HD3 -0.03 -0.06 -0.07 -0.04 1.68 1.48 2q3mA6 LYS 176 HE2 -0.13 0.09 -0.17 -0.04 2.99 2.74 2q3mA6 LYS 176 HE3 -0.04 -0.03 -0.11 -0.04 2.99 2.76 2q3mA6 LYS 177 H -0.24 0.46 -0.60 -0.55 8.42 7.49 2q3mA6 LYS 177 HA -0.17 -0.10 0.32 -0.75 4.32 3.61 2q3mA6 LYS 177 HB2 -0.25 0.06 0.10 -0.04 1.87 1.73 2q3mA6 LYS 177 HB3 -0.39 0.32 0.08 -0.04 1.79 1.76 2q3mA6 LYS 177 HG2 -0.26 -0.02 -0.01 -0.04 1.46 1.13 2q3mA6 LYS 177 HG3 -0.22 -0.09 0.07 -0.04 1.46 1.18 2q3mA6 LYS 177 HD2 -0.34 -0.08 0.00 -0.04 1.69 1.23 2q3mA6 LYS 177 HD3 -0.53 -0.04 -0.01 -0.04 1.68 1.06 2q3mA6 LYS 177 HE2 -0.87 0.26 0.03 -0.04 2.99 2.37 2q3mA6 LYS 177 HE3 -0.43 -0.05 -0.05 -0.04 2.99 2.43 2q3mA6 LEU 178 H -0.27 0.73 -0.62 -0.55 8.37 7.66 2q3mA6 LEU 178 HA -0.15 0.12 0.73 -0.75 4.35 4.29 2q3mA6 LEU 178 HB2 -0.30 0.17 0.14 -0.04 1.64 1.62 2q3mA6 LEU 178 HB3 -0.17 -0.09 0.09 -0.04 1.64 1.43 2q3mA6 LEU 178 HG -0.16 -0.05 -0.01 -0.04 1.64 1.38 2q3mA6 LEU 178 HD13 -0.28 -0.01 -0.16 -0.04 0.93 0.44 2q3mA6 LEU 178 HD23 -0.13 -0.03 0.04 -0.04 0.89 0.73 2q3mA6 TYR 186 HA 0.02 -0.05 0.23 -0.75 4.56 4.00 2q3mA6 TYR 186 HB2 0.15 0.04 0.09 -0.04 3.06 3.30 2q3mA6 TYR 186 HB3 0.11 0.01 0.31 -0.04 2.98 3.36 2q3mA6 TYR 186 HD2 -0.09 -0.00 -0.14 -0.04 7.15 6.88 2q3mA6 TYR 186 HE2 -0.17 -0.05 -0.07 -0.04 6.85 6.52 2q3mA6 PRO 187 HA 0.11 0.14 0.57 -0.51 4.44 4.76 2q3mA6 PRO 187 HB2 -0.11 -0.16 0.09 -0.04 2.28 2.06 2q3mA6 PRO 187 HB3 -0.02 0.14 0.13 -0.04 2.02 2.23 2q3mA6 PRO 187 HG2 -0.22 -0.22 0.11 -0.04 2.03 1.66 2q3mA6 PRO 187 HG3 -0.11 0.11 0.09 -0.04 2.03 2.07 2q3mA6 PRO 187 HD2 -0.27 0.09 0.18 -0.04 3.68 3.64 2q3mA6 PRO 187 HD3 -0.04 0.24 0.18 -0.04 3.65 3.99 2q3mA6 ILE 188 H -0.12 0.24 0.20 -0.55 8.25 8.02 2q3mA6 ILE 188 HA -1.63 0.10 0.40 -0.75 4.18 2.30 2q3mA6 ILE 188 HB -0.42 0.13 0.16 -0.04 1.89 1.72 2q3mA6 ILE 188 HG12 -0.54 -0.08 -0.10 -0.04 1.49 0.74 2q3mA6 ILE 188 HG13 -1.40 -0.01 0.07 -0.04 1.21 -0.17 2q3mA6 ILE 188 HG23 -0.18 0.01 0.02 -0.04 0.93 0.74 2q3mA6 ILE 188 HD13 -0.20 0.02 -0.01 -0.04 0.88 0.66 2q3mA6 GLU 189 H -0.26 0.11 -0.23 -0.55 8.60 7.68 2q3mA6 GLU 189 HA -0.30 0.04 0.37 -0.75 4.29 3.64 2q3mA6 GLU 189 HB2 -0.18 0.03 0.02 -0.04 2.09 1.92 2q3mA6 GLU 189 HB3 -0.17 0.06 0.00 -0.04 1.99 1.83 2q3mA6 GLU 189 HG2 -0.11 0.06 0.02 -0.04 2.34 2.26 2q3mA6 GLU 189 HG3 -0.16 -0.05 0.03 -0.04 2.34 2.12 2q3mA6 LYS 190 H -0.33 0.30 -0.31 -0.55 8.42 7.52 2q3mA6 LYS 190 HA -0.26 0.08 0.50 -0.75 4.32 3.89 2q3mA6 LYS 190 HB2 -0.33 -0.03 0.08 -0.04 1.87 1.55 2q3mA6 LYS 190 HB3 -0.61 0.20 0.11 -0.04 1.79 1.45 2q3mA6 LYS 190 HG2 -0.59 -0.00 -0.32 -0.04 1.46 0.51 2q3mA6 LYS 190 HG3 -0.29 -0.03 0.00 -0.04 1.46 1.10 2q3mA6 LYS 190 HD2 -0.62 0.02 0.00 -0.04 1.69 1.06 2q3mA6 LYS 190 HD3 -0.55 0.04 -0.05 -0.04 1.68 1.08 2q3mA6 LYS 190 HE2 -0.16 -0.00 -0.01 -0.04 2.99 2.78 2q3mA6 LYS 190 HE3 -0.20 -0.04 0.01 -0.04 2.99 2.72 2q3mA6 ALA 191 H -0.42 0.46 -0.05 -0.55 8.40 7.84 2q3mA6 ALA 191 HA 0.07 0.06 0.39 -0.75 4.34 4.11 2q3mA6 ALA 191 HB3 -0.06 0.03 0.03 -0.04 1.41 1.37 2q3mA6 VAL 192 H -0.55 0.67 -0.19 -0.55 8.24 7.63 2q3mA6 VAL 192 HA -1.18 -0.03 0.38 -0.75 4.13 2.55 2q3mA6 VAL 192 HB -0.49 0.12 0.13 -0.04 2.12 1.84 2q3mA6 VAL 192 HG13 -0.41 -0.02 -0.11 -0.04 0.97 0.38 2q3mA6 VAL 192 HG23 -1.13 0.00 0.02 -0.04 0.95 -0.20 2q3mA6 GLU 193 H -0.29 0.31 -0.47 -0.55 8.60 7.61 2q3mA6 GLU 193 HA -0.14 0.01 0.39 -0.75 4.29 3.79 2q3mA6 GLU 193 HB2 -0.16 -0.01 0.12 -0.04 2.09 2.00 2q3mA6 GLU 193 HB3 -0.17 0.20 0.25 -0.04 1.99 2.22 2q3mA6 GLU 193 HG2 -0.08 0.02 -0.29 -0.04 2.34 1.95 2q3mA6 GLU 193 HG3 -0.08 -0.04 -0.02 -0.04 2.34 2.16 2q3mA6 ALA 194 H -0.12 0.51 -0.02 -0.55 8.40 8.23 2q3mA6 ALA 194 HA -0.02 0.03 0.38 -0.75 4.34 3.98 2q3mA6 ALA 194 HB3 0.12 0.05 0.08 -0.04 1.41 1.62 2q3mA6 PHE 195 H -0.27 0.80 -0.11 -0.55 8.34 8.21 2q3mA6 PHE 195 HA -0.24 -0.04 0.25 -0.75 4.62 3.84 2q3mA6 PHE 195 HB2 -0.82 0.02 0.07 -0.04 3.15 2.38 2q3mA6 PHE 195 HB3 -0.47 0.06 0.17 -0.04 3.06 2.78 2q3mA6 PHE 195 HD2 -0.04 0.02 -0.05 -0.04 7.28 7.18 2q3mA6 PHE 195 HE2 -0.20 0.06 -0.07 -0.04 7.38 7.13 2q3mA6 PHE 195 HZ -0.18 -0.04 -0.04 -0.04 7.32 7.01 2q3mA6 CYS 196 H 0.01 0.66 -0.16 -0.55 8.50 8.46 2q3mA6 CYS 196 HA 0.24 -0.10 0.27 -0.75 4.58 4.23 2q3mA6 CYS 196 HB2 -0.03 0.16 0.16 -0.04 2.97 3.22 2q3mA6 CYS 196 HB3 0.03 -0.05 -0.02 -0.04 2.97 2.89 2q3mA6 GLU 197 H 0.02 0.43 -0.32 -0.55 8.60 8.19 2q3mA6 GLU 197 HA 0.12 0.04 0.61 -0.75 4.29 4.30 2q3mA6 GLU 197 HB2 0.01 0.03 0.11 -0.04 2.09 2.20 2q3mA6 GLU 197 HB3 0.00 0.02 0.10 -0.04 1.99 2.07 2q3mA6 GLU 197 HG2 0.06 -0.04 -0.04 -0.04 2.34 2.29 2q3mA6 GLU 197 HG3 0.05 -0.01 0.11 -0.04 2.34 2.45 2q3mA6 GLY 198 H 0.01 0.72 -0.16 -0.55 8.43 8.45 2q3mA6 GLY 198 HA2 -0.34 -0.16 0.38 -0.51 4.01 3.38 2q3mA6 GLY 198 HA3 -0.26 0.15 0.75 -0.51 4.01 4.14 2q3mA6 LYS 199 H -0.10 0.21 -0.28 -0.55 8.42 7.70 2q3mA6 LYS 199 HA -1.33 0.12 0.56 -0.75 4.32 2.91 2q3mA6 LYS 199 HB2 -0.30 -0.01 0.12 -0.04 1.87 1.64 2q3mA6 LYS 199 HB3 -0.95 -0.02 -0.00 -0.04 1.79 0.77 2q3mA6 LYS 199 HG2 -0.15 0.02 -0.14 -0.04 1.46 1.15 2q3mA6 LYS 199 HG3 -0.05 0.04 -0.15 -0.04 1.46 1.27 2q3mA6 LYS 199 HD2 -0.12 -0.02 -0.02 -0.04 1.69 1.49 2q3mA6 LYS 199 HD3 -0.33 -0.00 -0.05 -0.04 1.68 1.26 2q3mA6 LYS 199 HE2 0.12 0.02 -0.04 -0.04 2.99 3.04 2q3mA6 LYS 199 HE3 0.06 -0.01 -0.02 -0.04 2.99 2.98 2q3mA6 PHE 200 H -0.10 0.56 -0.09 -0.55 8.34 8.15 2q3mA6 PHE 200 HA -0.02 0.06 0.45 -0.75 4.62 4.35 2q3mA6 PHE 200 HB2 0.08 0.15 -0.83 -0.04 3.15 2.50 2q3mA6 PHE 200 HB3 0.18 0.04 -0.23 -0.04 3.06 3.00 2q3mA6 PHE 200 HD2 0.38 0.15 -0.08 -0.04 7.28 7.69 2q3mA6 PHE 200 HE2 0.19 0.01 -0.01 -0.04 7.38 7.53 2q3mA6 PHE 200 HZ 0.29 0.00 -0.07 -0.04 7.32 7.50 2q3mA6 ILE 201 H -0.74 0.05 0.03 -0.55 8.25 7.05 2q3mA6 ILE 201 HA 0.02 0.04 0.29 -0.75 4.18 3.77 2q3mA6 ILE 201 HB -0.42 -0.04 0.10 -0.04 1.89 1.50 2q3mA6 ILE 201 HG12 -0.00 -0.04 0.02 -0.04 1.49 1.43 2q3mA6 ILE 201 HG13 -0.13 -0.05 -0.02 -0.04 1.21 0.97 2q3mA6 ILE 201 HG23 0.05 0.01 -0.23 -0.04 0.93 0.72 2q3mA6 ILE 201 HD13 -0.10 0.00 -0.02 -0.04 0.88 0.72 2q3mA6 GLY 202 H 0.06 0.36 0.37 -0.55 8.43 8.66 2q3mA6 GLY 202 HA2 0.00 0.01 0.39 -0.51 4.01 3.90 2q3mA6 GLY 202 HA3 0.06 -0.04 0.44 -0.51 4.01 3.96 2q3mA6 GLY 203 H 0.12 0.23 0.01 -0.55 8.43 8.24 2q3mA6 GLY 203 HA2 -0.06 0.05 0.65 -0.51 4.01 4.14 2q3mA6 GLY 203 HA3 0.01 0.10 0.29 -0.51 4.01 3.90 2q3mA6 PRO 204 HA -0.56 0.09 0.54 -0.51 4.44 4.00 2q3mA6 PRO 204 HB2 -2.38 -0.22 0.15 -0.04 2.28 -0.21 2q3mA6 PRO 204 HB3 -2.91 0.10 0.15 -0.04 2.02 -0.68 2q3mA6 PRO 204 HG2 -0.53 0.04 0.16 -0.04 2.03 1.66 2q3mA6 PRO 204 HG3 -0.36 0.11 0.14 -0.04 2.03 1.88 2q3mA6 PRO 204 HD2 -0.37 0.01 0.34 -0.04 3.68 3.62 2q3mA6 PRO 204 HD3 -0.10 0.27 0.59 -0.04 3.65 4.36 2q3mA6 PHE 205 H -0.30 0.24 0.18 -0.55 8.34 7.91 2q3mA6 PHE 205 HA -0.02 0.21 0.43 -0.75 4.62 4.49 2q3mA6 PHE 205 HB2 0.11 -0.03 0.12 -0.04 3.15 3.31 2q3mA6 PHE 205 HB3 -0.24 0.08 0.13 -0.04 3.06 2.99 2q3mA6 PHE 205 HD2 -0.41 0.04 -0.15 -0.04 7.28 6.72 2q3mA6 PHE 205 HE2 0.12 0.04 -0.07 -0.04 7.38 7.43 2q3mA6 PHE 205 HZ 0.11 0.02 -0.08 -0.04 7.32 7.33 2q3mA6 TRP 206 H -1.11 0.10 -0.31 -0.55 7.97 6.10 2q3mA6 TRP 206 HA 0.06 0.04 0.38 -0.75 4.62 4.35 2q3mA6 TRP 206 HB2 -0.77 0.08 -0.01 -0.04 3.23 2.49 2q3mA6 TRP 206 HB3 -0.86 -0.01 0.04 -0.04 3.23 2.36 2q3mA6 TRP 206 HD1 -0.24 0.02 -0.21 -0.04 7.22 6.74 2q3mA6 TRP 206 HE1 -0.14 0.04 0.02 -0.04 10.20 10.08 2q3mA6 TRP 206 HE3 -1.41 -0.10 -0.00 -0.04 7.59 6.04 2q3mA6 TRP 206 HZ2 -0.11 0.02 0.05 -0.04 7.44 7.36 2q3mA6 TRP 206 HZ3 -0.30 0.28 -0.15 -0.04 7.13 6.92 2q3mA6 TRP 206 HH2 -0.13 0.34 -0.07 -0.04 7.19 7.28 2q3mA6 ASP 207 H -0.90 0.23 -0.05 -0.55 8.40 7.13 2q3mA6 ASP 207 HA 0.06 0.05 0.53 -0.75 4.63 4.53 2q3mA6 ASP 207 HB2 -0.27 0.15 0.08 -0.04 2.71 2.63 2q3mA6 ASP 207 HB3 -0.06 -0.02 0.04 -0.04 2.70 2.62 2q3mA6 HIS 208 H 0.05 0.39 -0.26 -0.55 8.41 8.04 2q3mA6 HIS 208 HA 0.09 -0.00 0.39 -0.75 4.63 4.36 2q3mA6 HIS 208 HB2 0.09 0.08 0.04 -0.04 3.26 3.43 2q3mA6 HIS 208 HB3 0.21 0.06 0.13 -0.04 3.20 3.56 2q3mA6 HIS 208 HD2 0.22 -0.08 -0.03 -0.04 6.97 7.03 2q3mA6 HIS 208 HE1 0.39 0.16 -0.03 -0.04 7.75 8.22 2q3mA6 ILE 209 H 0.38 0.43 -0.07 -0.55 8.25 8.44 2q3mA6 ILE 209 HA 0.31 0.07 0.46 -0.75 4.18 4.27 2q3mA6 ILE 209 HB 0.66 0.08 0.16 -0.04 1.89 2.74 2q3mA6 ILE 209 HG12 0.61 -0.05 0.00 -0.04 1.49 2.01 2q3mA6 ILE 209 HG13 0.54 0.14 0.10 -0.04 1.21 1.94 2q3mA6 ILE 209 HG23 0.61 -0.02 -0.18 -0.04 0.93 1.31 2q3mA6 ILE 209 HD13 0.43 -0.02 -0.02 -0.04 0.88 1.22 2q3mA6 LEU 210 H 0.20 0.66 0.01 -0.55 8.37 8.70 2q3mA6 LEU 210 HA -0.02 -0.00 0.32 -0.75 4.35 3.89 2q3mA6 LEU 210 HB2 0.03 0.04 0.17 -0.04 1.64 1.85 2q3mA6 LEU 210 HB3 -0.42 -0.01 0.00 -0.04 1.64 1.18 2q3mA6 LEU 210 HG 0.04 -0.04 0.09 -0.04 1.64 1.69 2q3mA6 LEU 210 HD13 -0.11 0.02 -0.08 -0.04 0.93 0.73 2q3mA6 LEU 210 HD23 0.01 -0.01 0.02 -0.04 0.89 0.87 2q3mA6 GLU 211 H -0.02 0.53 -0.18 -0.55 8.60 8.37 2q3mA6 GLU 211 HA 0.16 0.03 0.33 -0.75 4.29 4.06 2q3mA6 GLU 211 HB2 -0.21 0.05 0.14 -0.04 2.09 2.02 2q3mA6 GLU 211 HB3 -0.06 -0.06 0.07 -0.04 1.99 1.90 2q3mA6 GLU 211 HG2 0.03 0.23 0.16 -0.04 2.34 2.72 2q3mA6 GLU 211 HG3 -0.02 -0.09 0.05 -0.04 2.34 2.24 2q3mA6 TYR 212 H -0.09 0.31 -0.44 -0.55 8.29 7.53 2q3mA6 TYR 212 HA -0.27 0.09 0.52 -0.75 4.56 4.14 2q3mA6 TYR 212 HB2 -0.81 0.10 0.09 -0.04 3.06 2.41 2q3mA6 TYR 212 HB3 -0.43 0.01 -0.04 -0.04 2.98 2.48 2q3mA6 TYR 212 HD2 -0.35 0.15 0.01 -0.04 7.15 6.91 2q3mA6 TYR 212 HE2 0.00 0.06 -0.11 -0.04 6.85 6.76 2q3mA6 TRP 213 H 0.16 0.39 -0.07 -0.55 7.97 7.90 2q3mA6 TRP 213 HA -0.39 0.02 0.38 -0.75 4.62 3.88 2q3mA6 TRP 213 HB2 -0.35 -0.07 -0.00 -0.04 3.23 2.77 2q3mA6 TRP 213 HB3 -0.40 0.05 0.18 -0.04 3.23 3.02 2q3mA6 TRP 213 HD1 -0.23 0.00 -0.09 -0.04 7.22 6.87 2q3mA6 TRP 213 HE1 -0.02 0.53 0.04 -0.04 10.20 10.71 2q3mA6 TRP 213 HE3 -2.03 -0.02 -0.07 -0.04 7.59 5.44 2q3mA6 TRP 213 HZ2 -0.11 0.01 -0.18 -0.04 7.44 7.12 2q3mA6 TRP 213 HZ3 -0.46 -0.04 -0.08 -0.04 7.13 6.51 2q3mA6 TRP 213 HH2 -0.17 0.04 -0.12 -0.04 7.19 6.90 2q3mA6 TYR 214 H -0.23 0.72 -0.06 -0.55 8.29 8.17 2q3mA6 TYR 214 HA -0.18 0.03 0.30 -0.75 4.56 3.96 2q3mA6 TYR 214 HB2 -0.01 0.07 0.08 -0.04 3.06 3.17 2q3mA6 TYR 214 HB3 -0.01 -0.04 0.01 -0.04 2.98 2.89 2q3mA6 TYR 214 HD2 0.10 -0.01 -0.04 -0.04 7.15 7.15 2q3mA6 TYR 214 HE2 0.15 -0.01 -0.05 -0.04 6.85 6.89 2q3mA6 ALA 215 H -0.05 0.46 -0.16 -0.55 8.40 8.10 2q3mA6 ALA 215 HA -0.02 -0.03 0.39 -0.75 4.34 3.92 2q3mA6 ALA 215 HB3 -0.40 0.03 0.07 -0.04 1.41 1.07 2q3mA6 SER 216 H -0.13 0.35 -0.66 -0.55 8.46 7.48 2q3mA6 SER 216 HA -0.06 0.29 0.16 -0.75 4.49 4.12 2q3mA6 SER 216 HB2 -0.40 0.23 0.10 -0.04 3.95 3.84 2q3mA6 SER 216 HB3 -0.25 -0.12 -0.11 -0.04 3.93 3.42 2q3mA6 ARG 217 H -0.27 0.31 -0.25 -0.55 8.46 7.70 2q3mA6 ARG 217 HA -0.19 0.11 0.76 -0.75 4.34 4.27 2q3mA6 ARG 217 HB2 -0.24 0.05 0.15 -0.04 1.90 1.81 2q3mA6 ARG 217 HB3 -0.17 -0.06 0.01 -0.04 1.80 1.54 2q3mA6 ARG 217 HG2 -0.40 -0.03 -0.01 -0.04 1.67 1.19 2q3mA6 ARG 217 HG3 -0.86 0.06 -0.04 -0.04 1.67 0.79 2q3mA6 ARG 217 HD2 -0.47 0.02 -0.01 -0.04 3.22 2.72 2q3mA6 ARG 217 HD3 -0.17 -0.03 0.00 -0.04 3.22 2.98 2q3mA6 GLU 218 H -0.07 0.67 0.12 -0.55 8.60 8.77 2q3mA6 GLU 218 HA -0.03 0.02 0.52 -0.75 4.29 4.05 2q3mA6 GLU 218 HB2 0.01 0.01 0.03 -0.04 2.09 2.10 2q3mA6 GLU 218 HB3 0.00 -0.06 0.04 -0.04 1.99 1.93 2q3mA6 GLU 218 HG2 -0.02 -0.06 0.02 -0.04 2.34 2.24 2q3mA6 GLU 218 HG3 -0.01 0.21 0.11 -0.04 2.34 2.61 2q3mA6 ASN 219 H -0.01 0.63 -0.23 -0.55 8.53 8.38 2q3mA6 ASN 219 HA 0.04 0.10 0.74 -0.75 4.76 4.89 2q3mA6 ASN 219 HB2 0.06 -0.02 -0.11 -0.04 2.88 2.76 2q3mA6 ASN 219 HB3 0.08 0.03 0.22 -0.04 2.79 3.08 2q3mA6 ASN 219 HD21 0.08 0.09 -0.00 -0.04 7.03 7.16 2q3mA6 ASN 219 HD22 0.10 -0.01 0.02 -0.04 7.74 7.80 2q3mA6 PRO 220 HA 0.06 0.33 0.46 -0.51 4.44 4.78 2q3mA6 PRO 220 HB2 0.07 -0.04 0.09 -0.04 2.28 2.35 2q3mA6 PRO 220 HB3 -0.00 0.15 0.18 -0.04 2.02 2.30 2q3mA6 PRO 220 HG2 0.05 -0.03 0.03 -0.04 2.03 2.03 2q3mA6 PRO 220 HG3 0.01 0.00 0.05 -0.04 2.03 2.06 2q3mA6 PRO 220 HD2 0.03 0.05 0.02 -0.04 3.68 3.73 2q3mA6 PRO 220 HD3 -0.00 0.32 -0.25 -0.04 3.65 3.68 2q3mA6 ASN 221 H 0.10 0.03 -0.40 -0.55 8.53 7.71 2q3mA6 ASN 221 HA 0.13 0.16 0.56 -0.75 4.76 4.86 2q3mA6 ASN 221 HB2 0.05 -0.04 -0.03 -0.04 2.88 2.83 2q3mA6 ASN 221 HB3 0.01 0.05 0.09 -0.04 2.79 2.90 2q3mA6 ASN 221 HD21 0.03 -0.05 -0.01 -0.04 7.03 6.96 2q3mA6 ASN 221 HD22 0.03 -0.01 -0.00 -0.04 7.74 7.72 2q3mA6 LYS 222 H 0.18 0.51 -0.18 -0.55 8.42 8.38 2q3mA6 LYS 222 HA 0.15 0.29 0.96 -0.75 4.32 4.97 2q3mA6 LYS 222 HB2 0.11 -0.10 -0.00 -0.04 1.87 1.84 2q3mA6 LYS 222 HB3 0.15 -0.02 0.15 -0.04 1.79 2.03 2q3mA6 LYS 222 HG2 0.15 -0.06 -0.01 -0.04 1.46 1.50 2q3mA6 LYS 222 HG3 0.19 -0.09 -0.14 -0.04 1.46 1.39 2q3mA6 LYS 222 HD2 0.10 0.19 0.08 -0.04 1.69 2.02 2q3mA6 LYS 222 HD3 0.08 -0.06 0.02 -0.04 1.68 1.68 2q3mA6 LYS 222 HE2 0.12 -0.20 -0.12 -0.04 2.99 2.74 2q3mA6 LYS 222 HE3 0.08 -0.03 -0.11 -0.04 2.99 2.88 2q3mA6 VAL 223 H 0.16 0.43 0.15 -0.55 8.24 8.43 2q3mA6 VAL 223 HA 0.19 0.35 0.96 -0.75 4.13 4.88 2q3mA6 VAL 223 HB 0.02 0.02 -0.34 -0.04 2.12 1.78 2q3mA6 VAL 223 HG13 0.12 -0.01 -0.18 -0.04 0.97 0.85 2q3mA6 VAL 223 HG23 0.02 -0.04 -0.10 -0.04 0.95 0.79 2q3mA6 LEU 224 H -0.17 0.57 0.46 -0.55 8.37 8.68 2q3mA6 LEU 224 HA -0.38 0.25 0.84 -0.75 4.35 4.31 2q3mA6 LEU 224 HB2 -2.42 0.14 0.01 -0.04 1.64 -0.67 2q3mA6 LEU 224 HB3 -0.64 -0.19 0.07 -0.04 1.64 0.84 2q3mA6 LEU 224 HG -0.19 -0.14 -0.01 -0.04 1.64 1.25 2q3mA6 LEU 224 HD13 -0.29 0.05 0.11 -0.04 0.93 0.76 2q3mA6 LEU 224 HD23 -0.19 -0.02 -0.08 -0.04 0.89 0.55 2q3mA6 PHE 225 H 0.02 0.26 0.13 -0.55 8.34 8.20 2q3mA6 PHE 225 HA 0.16 0.11 0.83 -0.75 4.62 4.96 2q3mA6 PHE 225 HB2 0.03 0.15 -0.21 -0.04 3.15 3.08 2q3mA6 PHE 225 HB3 0.06 -0.03 0.08 -0.04 3.06 3.13 2q3mA6 PHE 225 HD2 0.22 0.05 -0.41 -0.04 7.28 7.10 2q3mA6 PHE 225 HE2 0.18 -0.01 -0.14 -0.04 7.38 7.37 2q3mA6 PHE 225 HZ 0.34 -0.10 -0.12 -0.04 7.32 7.40 2q3mA6 VAL 226 H -0.16 1.42 0.48 -0.55 8.24 9.43 2q3mA6 VAL 226 HA 0.16 0.19 0.94 -0.75 4.13 4.67 2q3mA6 VAL 226 HB -0.03 -0.07 -0.06 -0.04 2.12 1.92 2q3mA6 VAL 226 HG13 0.03 -0.00 0.05 -0.04 0.97 1.00 2q3mA6 VAL 226 HG23 -0.03 0.02 -0.19 -0.04 0.95 0.71 2q3mA6 THR 227 H 0.12 0.18 0.18 -0.55 8.28 8.20 2q3mA6 THR 227 HA 0.11 0.24 1.17 -0.75 4.39 5.15 2q3mA6 THR 227 HB 0.18 -0.07 0.15 -0.04 4.32 4.55 2q3mA6 THR 227 HG23 0.25 0.06 -0.06 -0.04 1.22 1.43 2q3mA6 TYR 228 H 0.21 0.65 0.25 -0.55 8.29 8.86 2q3mA6 TYR 228 HA 0.12 0.11 0.41 -0.75 4.56 4.44 2q3mA6 TYR 228 HB2 0.05 0.09 0.01 -0.04 3.06 3.17 2q3mA6 TYR 228 HB3 0.09 -0.06 0.07 -0.04 2.98 3.03 2q3mA6 TYR 228 HD2 0.09 -0.01 -0.10 -0.04 7.15 7.09 2q3mA6 TYR 228 HE2 0.15 -0.03 -0.04 -0.04 6.85 6.88 2q3mA6 GLU 229 H 0.21 0.09 -0.11 -0.55 8.60 8.25 2q3mA6 GLU 229 HA 0.13 0.13 0.37 -0.75 4.29 4.17 2q3mA6 GLU 229 HB2 0.15 -0.02 0.12 -0.04 2.09 2.30 2q3mA6 GLU 229 HB3 0.12 0.09 0.04 -0.04 1.99 2.20 2q3mA6 GLU 229 HG2 0.19 0.00 0.07 -0.04 2.34 2.57 2q3mA6 GLU 229 HG3 0.19 0.08 0.05 -0.04 2.34 2.62 2q3mA6 GLU 230 H 0.11 0.03 -0.23 -0.55 8.60 7.96 2q3mA6 GLU 230 HA 0.06 0.09 0.36 -0.75 4.29 4.05 2q3mA6 GLU 230 HB2 0.08 -0.00 0.12 -0.04 2.09 2.24 2q3mA6 GLU 230 HB3 0.06 0.06 -0.03 -0.04 1.99 2.04 2q3mA6 GLU 230 HG2 0.06 0.07 -0.01 -0.04 2.34 2.43 2q3mA6 GLU 230 HG3 0.08 -0.12 -0.01 -0.04 2.34 2.25 2q3mA6 LEU 231 H 0.04 0.57 -0.17 -0.55 8.37 8.27 2q3mA6 LEU 231 HA -0.00 0.01 0.26 -0.75 4.35 3.86 2q3mA6 LEU 231 HB2 -0.04 0.02 0.02 -0.04 1.64 1.60 2q3mA6 LEU 231 HB3 -0.08 0.05 0.10 -0.04 1.64 1.67 2q3mA6 LEU 231 HG -0.34 0.01 -0.19 -0.04 1.64 1.09 2q3mA6 LEU 231 HD13 -0.23 -0.00 -0.06 -0.04 0.93 0.60 2q3mA6 LEU 231 HD23 -0.30 -0.01 -0.09 -0.04 0.89 0.45 2q3mA6 LYS 232 H 0.03 0.41 -0.44 -0.55 8.42 7.87 2q3mA6 LYS 232 HA 0.26 0.07 0.52 -0.75 4.32 4.42 2q3mA6 LYS 232 HB2 -0.02 0.12 0.16 -0.04 1.87 2.09 2q3mA6 LYS 232 HB3 -0.12 -0.03 0.00 -0.04 1.79 1.60 2q3mA6 LYS 232 HG2 -0.71 -0.02 -0.03 -0.04 1.46 0.67 2q3mA6 LYS 232 HG3 -0.43 0.18 0.02 -0.04 1.46 1.19 2q3mA6 LYS 232 HD2 0.27 -0.08 -0.13 -0.04 1.69 1.71 2q3mA6 LYS 232 HD3 0.06 -0.05 -0.08 -0.04 1.68 1.57 2q3mA6 LYS 232 HE2 -0.12 0.01 -0.06 -0.04 2.99 2.79 2q3mA6 LYS 232 HE3 -0.37 0.03 -0.06 -0.04 2.99 2.55 2q3mA6 LYS 233 H 0.05 0.37 -0.05 -0.55 8.42 8.24 2q3mA6 LYS 233 HA 0.03 0.18 0.86 -0.75 4.32 4.64 2q3mA6 LYS 233 HB2 0.04 0.03 0.10 -0.04 1.87 2.00 2q3mA6 LYS 233 HB3 0.03 -0.02 0.22 -0.04 1.79 1.97 2q3mA6 LYS 233 HG2 0.01 0.02 0.01 -0.04 1.46 1.45 2q3mA6 LYS 233 HG3 0.01 -0.03 -0.12 -0.04 1.46 1.27 2q3mA6 LYS 233 HD2 0.02 -0.01 0.02 -0.04 1.69 1.68 2q3mA6 LYS 233 HD3 0.01 -0.02 0.00 -0.04 1.68 1.64 2q3mA6 LYS 233 HE2 0.05 0.01 -0.06 -0.04 2.99 2.94 2q3mA6 LYS 233 HE3 0.05 -0.08 -0.02 -0.04 2.99 2.90 2q3mA6 GLN 234 H 0.06 0.23 -0.27 -0.55 8.47 7.95 2q3mA6 GLN 234 HA 0.03 0.05 0.49 -0.75 4.36 4.17 2q3mA6 GLN 234 HB2 0.03 0.11 0.01 -0.04 2.15 2.26 2q3mA6 GLN 234 HB3 0.04 0.18 -0.07 -0.04 2.02 2.13 2q3mA6 GLN 234 HG2 0.03 -0.02 -0.01 -0.04 2.40 2.35 2q3mA6 GLN 234 HG3 0.03 -0.14 0.16 -0.04 2.39 2.39 2q3mA6 GLN 234 HE21 0.03 0.02 0.01 -0.04 6.97 6.99 2q3mA6 GLN 234 HE22 0.03 0.01 0.06 -0.04 7.69 7.75 2q3mA6 THR 235 H 0.07 0.21 -0.07 -0.55 8.28 7.94 2q3mA6 THR 235 HA -0.00 0.10 0.35 -0.75 4.39 4.08 2q3mA6 THR 235 HB 0.07 -0.11 0.10 -0.04 4.32 4.34 2q3mA6 THR 235 HG23 -0.02 0.01 -0.02 -0.04 1.22 1.15 2q3mA6 GLU 236 H 0.02 0.14 -0.07 -0.55 8.60 8.15 2q3mA6 GLU 236 HA -0.01 0.08 0.33 -0.75 4.29 3.93 2q3mA6 GLU 236 HB2 0.01 -0.05 0.10 -0.04 2.09 2.11 2q3mA6 GLU 236 HB3 -0.00 0.04 -0.01 -0.04 1.99 1.98 2q3mA6 GLU 236 HG2 0.01 0.01 -0.01 -0.04 2.34 2.31 2q3mA6 GLU 236 HG3 0.02 -0.00 0.04 -0.04 2.34 2.36 2q3mA6 VAL 237 H 0.01 0.12 -0.10 -0.55 8.24 7.72 2q3mA6 VAL 237 HA 0.00 0.03 0.45 -0.75 4.13 3.86 2q3mA6 VAL 237 HB 0.02 0.11 0.10 -0.04 2.12 2.31 2q3mA6 VAL 237 HG13 0.02 0.01 -0.12 -0.04 0.97 0.84 2q3mA6 VAL 237 HG23 0.02 -0.01 0.05 -0.04 0.95 0.97 2q3mA6 GLU 238 H 0.00 0.66 -0.15 -0.55 8.60 8.57 2q3mA6 GLU 238 HA 0.00 -0.01 0.35 -0.75 4.29 3.89 2q3mA6 GLU 238 HB2 -0.03 0.11 0.07 -0.04 2.09 2.20 2q3mA6 GLU 238 HB3 -0.04 -0.08 -0.06 -0.04 1.99 1.76 2q3mA6 GLU 238 HG2 0.02 0.23 -0.21 -0.04 2.34 2.34 2q3mA6 GLU 238 HG3 0.02 -0.00 -0.49 -0.04 2.34 1.83 2q3mA6 MET 239 H -0.04 0.73 -0.14 -0.55 8.47 8.48 2q3mA6 MET 239 HA -0.07 0.03 0.47 -0.75 4.52 4.20 2q3mA6 MET 239 HB2 -0.05 0.12 0.17 -0.04 2.15 2.34 2q3mA6 MET 239 HB3 -0.06 -0.03 -0.02 -0.04 2.03 1.88 2q3mA6 MET 239 HG2 -0.08 0.24 -0.08 -0.04 2.63 2.67 2q3mA6 MET 239 HG3 -0.08 -0.06 -0.04 -0.04 2.56 2.34 2q3mA6 MET 239 HE3 -0.12 -0.00 -0.10 -0.04 2.10 1.84 2q3mA6 LYS 240 H -0.02 0.46 0.01 -0.55 8.42 8.31 2q3mA6 LYS 240 HA -0.03 0.05 0.48 -0.75 4.32 4.06 2q3mA6 LYS 240 HB2 -0.01 0.08 0.14 -0.04 1.87 2.05 2q3mA6 LYS 240 HB3 -0.01 0.01 0.04 -0.04 1.79 1.78 2q3mA6 LYS 240 HG2 -0.06 -0.02 -0.00 -0.04 1.46 1.33 2q3mA6 LYS 240 HG3 -0.03 0.08 0.04 -0.04 1.46 1.51 2q3mA6 LYS 240 HD2 -0.01 -0.03 0.00 -0.04 1.69 1.61 2q3mA6 LYS 240 HD3 -0.04 0.04 0.01 -0.04 1.68 1.65 2q3mA6 LYS 240 HE2 -0.13 0.10 -0.11 -0.04 2.99 2.81 2q3mA6 LYS 240 HE3 -0.04 -0.07 -0.03 -0.04 2.99 2.81 2q3mA6 ARG 241 H 0.00 0.46 -0.35 -0.55 8.46 8.02 2q3mA6 ARG 241 HA 0.03 0.04 0.39 -0.75 4.34 4.05 2q3mA6 ARG 241 HB2 0.02 0.09 0.14 -0.04 1.90 2.11 2q3mA6 ARG 241 HB3 0.01 0.14 0.13 -0.04 1.80 2.04 2q3mA6 ARG 241 HG2 0.02 0.03 -0.02 -0.04 1.67 1.65 2q3mA6 ARG 241 HG3 0.03 -0.02 0.05 -0.04 1.67 1.69 2q3mA6 ARG 241 HD2 0.03 -0.06 0.00 -0.04 3.22 3.16 2q3mA6 ARG 241 HD3 0.02 -0.04 0.02 -0.04 3.22 3.18 2q3mA6 ILE 242 H 0.00 0.39 -0.15 -0.55 8.25 7.94 2q3mA6 ILE 242 HA 0.07 0.02 0.42 -0.75 4.18 3.94 2q3mA6 ILE 242 HB -0.02 0.07 0.14 -0.04 1.89 2.04 2q3mA6 ILE 242 HG12 -0.00 -0.03 -0.03 -0.04 1.49 1.39 2q3mA6 ILE 242 HG13 -0.02 0.07 0.02 -0.04 1.21 1.24 2q3mA6 ILE 242 HG23 0.03 -0.01 -0.15 -0.04 0.93 0.76 2q3mA6 ILE 242 HD13 -0.07 -0.04 -0.08 -0.04 0.88 0.65 2q3mA6 ALA 243 H 0.01 0.44 -0.34 -0.55 8.40 7.96 2q3mA6 ALA 243 HA 0.01 -0.04 0.28 -0.75 4.34 3.83 2q3mA6 ALA 243 HB3 -0.03 -0.03 0.05 -0.04 1.41 1.35 2q3mA6 GLU 244 H 0.05 0.67 -0.13 -0.55 8.60 8.63 2q3mA6 GLU 244 HA 0.05 0.04 0.35 -0.75 4.29 3.97 2q3mA6 GLU 244 HB2 0.08 0.01 0.16 -0.04 2.09 2.30 2q3mA6 GLU 244 HB3 0.07 -0.03 0.00 -0.04 1.99 1.99 2q3mA6 GLU 244 HG2 0.04 0.25 0.08 -0.04 2.34 2.66 2q3mA6 GLU 244 HG3 0.05 -0.13 -0.01 -0.04 2.34 2.20 2q3mA6 PHE 245 H 0.22 0.28 -0.07 -0.55 8.34 8.21 2q3mA6 PHE 245 HA 0.02 -0.01 0.41 -0.75 4.62 4.28 2q3mA6 PHE 245 HB2 0.02 -0.08 0.13 -0.04 3.15 3.18 2q3mA6 PHE 245 HB3 0.02 -0.03 0.11 -0.04 3.06 3.11 2q3mA6 PHE 245 HD2 0.02 -0.05 -0.06 -0.04 7.28 7.16 2q3mA6 PHE 245 HE2 0.04 0.12 -0.25 -0.04 7.38 7.25 2q3mA6 PHE 245 HZ 0.05 0.15 -0.64 -0.04 7.32 6.84 2q3mA6 LEU 246 H 0.13 0.35 -0.28 -0.55 8.37 8.03 2q3mA6 LEU 246 HA -0.16 0.03 0.46 -0.75 4.35 3.93 2q3mA6 LEU 246 HB2 0.01 0.07 0.12 -0.04 1.64 1.80 2q3mA6 LEU 246 HB3 -0.02 -0.15 0.17 -0.04 1.64 1.60 2q3mA6 LEU 246 HG 0.15 0.03 0.00 -0.04 1.64 1.78 2q3mA6 LEU 246 HD13 0.02 -0.03 -0.09 -0.04 0.93 0.79 2q3mA6 LEU 246 HD23 0.04 -0.02 -0.05 -0.04 0.89 0.83 2q3mA6 GLU 247 H -0.03 -0.07 0.09 -0.55 8.60 8.05 2q3mA6 GLU 247 HA -0.02 -0.10 0.37 -0.75 4.29 3.79 2q3mA6 GLU 247 HB2 -0.00 0.22 -0.14 -0.04 2.09 2.13 2q3mA6 GLU 247 HB3 0.01 -0.24 0.02 -0.04 1.99 1.74 2q3mA6 GLU 247 HG2 -0.03 -0.06 -0.03 -0.04 2.34 2.17 2q3mA6 GLU 247 HG3 -0.03 -0.01 0.08 -0.04 2.34 2.34 2q3mA6 CYS 248 H 0.01 -0.02 0.13 -0.55 8.50 8.07 2q3mA6 CYS 248 HA 0.01 0.40 0.92 -0.75 4.58 5.16 2q3mA6 CYS 248 HB2 0.01 -0.09 0.09 -0.04 2.97 2.93 2q3mA6 CYS 248 HB3 0.01 -0.05 0.20 -0.04 2.97 3.09 2q3mA6 GLY 249 H 0.04 0.07 -0.15 -0.55 8.43 7.84 2q3mA6 GLY 249 HA2 0.08 0.22 0.88 -0.51 4.01 4.68 2q3mA6 GLY 249 HA3 0.08 -0.06 0.32 -0.51 4.01 3.84 2q3mA6 PHE 250 H 0.21 0.08 0.13 -0.55 8.34 8.21 2q3mA6 PHE 250 HA 0.02 0.22 0.76 -0.75 4.62 4.87 2q3mA6 PHE 250 HB2 0.02 0.04 0.01 -0.04 3.15 3.18 2q3mA6 PHE 250 HB3 0.02 -0.03 0.06 -0.04 3.06 3.06 2q3mA6 PHE 250 HD2 0.02 0.04 -0.08 -0.04 7.28 7.21 2q3mA6 PHE 250 HE2 0.02 -0.03 -0.06 -0.04 7.38 7.27 2q3mA6 PHE 250 HZ 0.01 -0.06 -0.03 -0.04 7.32 7.20 2q3mA6 ILE 251 H -0.75 0.23 0.09 -0.55 8.25 7.27 2q3mA6 ILE 251 HA -0.24 0.14 0.82 -0.75 4.18 4.14 2q3mA6 ILE 251 HB -0.12 0.13 -0.17 -0.04 1.89 1.69 2q3mA6 ILE 251 HG12 -0.13 -0.04 -0.21 -0.04 1.49 1.07 2q3mA6 ILE 251 HG13 -0.10 -0.07 0.05 -0.04 1.21 1.05 2q3mA6 ILE 251 HG23 -0.17 0.00 -0.05 -0.04 0.93 0.67 2q3mA6 ILE 251 HD13 -0.07 0.03 -0.10 -0.04 0.88 0.70 2q3mA6 GLU 252 H -0.19 0.19 0.09 -0.55 8.60 8.14 2q3mA6 GLU 252 HA -0.20 0.12 0.46 -0.75 4.29 3.92 2q3mA6 GLU 252 HB2 -0.03 -0.18 0.17 -0.04 2.09 2.01 2q3mA6 GLU 252 HB3 0.00 -0.12 0.06 -0.04 1.99 1.88 2q3mA6 GLU 252 HG2 0.11 0.07 0.06 -0.04 2.34 2.53 2q3mA6 GLU 252 HG3 0.03 0.09 0.09 -0.04 2.34 2.50 2q3mA6 GLU 253 H -0.03 0.22 0.22 -0.55 8.60 8.46 2q3mA6 GLU 253 HA -0.05 0.13 0.35 -0.75 4.29 3.97 2q3mA6 GLU 253 HB2 0.01 0.07 0.17 -0.04 2.09 2.31 2q3mA6 GLU 253 HB3 0.01 -0.02 0.08 -0.04 1.99 2.03 2q3mA6 GLU 253 HG2 0.00 -0.04 -0.04 -0.04 2.34 2.22 2q3mA6 GLU 253 HG3 -0.00 0.02 0.07 -0.04 2.34 2.39 2q3mA6 GLU 254 H -0.00 0.04 -0.36 -0.55 8.60 7.73 2q3mA6 GLU 254 HA 0.00 0.08 0.43 -0.75 4.29 4.05 2q3mA6 GLU 254 HB2 0.02 0.03 0.05 -0.04 2.09 2.15 2q3mA6 GLU 254 HB3 0.01 -0.01 0.04 -0.04 1.99 1.99 2q3mA6 GLU 254 HG2 0.02 0.05 -0.02 -0.04 2.34 2.35 2q3mA6 GLU 254 HG3 0.02 0.03 -0.16 -0.04 2.34 2.18 2q3mA6 GLU 255 H -0.03 0.12 -0.15 -0.55 8.60 7.99 2q3mA6 GLU 255 HA 0.00 0.03 0.33 -0.75 4.29 3.91 2q3mA6 GLU 255 HB2 -0.06 0.09 0.07 -0.04 2.09 2.16 2q3mA6 GLU 255 HB3 -0.02 0.08 0.01 -0.04 1.99 2.02 2q3mA6 GLU 255 HG2 0.03 0.05 0.06 -0.04 2.34 2.43 2q3mA6 GLU 255 HG3 0.00 -0.14 0.10 -0.04 2.34 2.26 2q3mA6 VAL 256 H -0.04 0.41 -0.42 -0.55 8.24 7.64 2q3mA6 VAL 256 HA -0.04 0.09 0.39 -0.75 4.13 3.82 2q3mA6 VAL 256 HB -0.03 0.18 0.15 -0.04 2.12 2.38 2q3mA6 VAL 256 HG13 -0.03 -0.02 -0.10 -0.04 0.97 0.78 2q3mA6 VAL 256 HG23 -0.06 0.02 -0.08 -0.04 0.95 0.78 2q3mA6 ARG 257 H -0.01 0.39 -0.01 -0.55 8.46 8.27 2q3mA6 ARG 257 HA 0.01 -0.00 0.42 -0.75 4.34 4.01 2q3mA6 ARG 257 HB2 0.01 0.05 0.14 -0.04 1.90 2.06 2q3mA6 ARG 257 HB3 0.02 -0.01 0.05 -0.04 1.80 1.82 2q3mA6 ARG 257 HG2 0.01 -0.06 0.03 -0.04 1.67 1.62 2q3mA6 ARG 257 HG3 0.00 0.17 0.10 -0.04 1.67 1.90 2q3mA6 ARG 257 HD2 0.02 0.01 0.00 -0.04 3.22 3.21 2q3mA6 ARG 257 HD3 0.01 -0.02 -0.01 -0.04 3.22 3.17 2q3mA6 GLU 258 H 0.00 0.59 -0.11 -0.55 8.60 8.53 2q3mA6 GLU 258 HA 0.02 0.01 0.35 -0.75 4.29 3.92 2q3mA6 GLU 258 HB2 0.01 0.10 0.07 -0.04 2.09 2.22 2q3mA6 GLU 258 HB3 0.02 -0.00 -0.06 -0.04 1.99 1.90 2q3mA6 GLU 258 HG2 0.01 0.01 0.02 -0.04 2.34 2.34 2q3mA6 GLU 258 HG3 0.02 -0.04 -0.05 -0.04 2.34 2.23 2q3mA6 ILE 259 H -0.01 0.43 -0.37 -0.55 8.25 7.75 2q3mA6 ILE 259 HA -0.01 0.06 0.53 -0.75 4.18 4.00 2q3mA6 ILE 259 HB -0.03 0.13 0.23 -0.04 1.89 2.18 2q3mA6 ILE 259 HG12 -0.01 -0.02 -0.08 -0.04 1.49 1.33 2q3mA6 ILE 259 HG13 -0.01 0.11 0.08 -0.04 1.21 1.34 2q3mA6 ILE 259 HG23 -0.05 -0.02 -0.12 -0.04 0.93 0.71 2q3mA6 ILE 259 HD13 -0.04 -0.02 -0.05 -0.04 0.88 0.73 2q3mA6 VAL 260 H -0.01 0.64 0.09 -0.55 8.24 8.41 2q3mA6 VAL 260 HA 0.00 0.01 0.32 -0.75 4.13 3.70 2q3mA6 VAL 260 HB 0.03 0.02 0.12 -0.04 2.12 2.25 2q3mA6 VAL 260 HG13 0.11 -0.02 -0.08 -0.04 0.97 0.95 2q3mA6 VAL 260 HG23 -0.03 0.02 -0.03 -0.04 0.95 0.87 2q3mA6 LYS 261 H 0.03 1.07 -0.12 -0.55 8.42 8.84 2q3mA6 LYS 261 HA 0.06 -0.04 0.36 -0.75 4.32 3.94 2q3mA6 LYS 261 HB2 0.03 -0.00 0.04 -0.04 1.87 1.90 2q3mA6 LYS 261 HB3 0.03 0.01 0.14 -0.04 1.79 1.92 2q3mA6 LYS 261 HG2 0.03 0.03 -0.14 -0.04 1.46 1.34 2q3mA6 LYS 261 HG3 0.04 -0.05 0.01 -0.04 1.46 1.42 2q3mA6 LYS 261 HD2 0.02 -0.05 -0.06 -0.04 1.69 1.56 2q3mA6 LYS 261 HD3 0.02 -0.01 -0.06 -0.04 1.68 1.59 2q3mA6 LYS 261 HE2 0.02 -0.03 -0.03 -0.04 2.99 2.90 2q3mA6 LYS 261 HE3 0.02 0.02 -0.04 -0.04 2.99 2.95 2q3mA6 LEU 262 H 0.02 0.69 -0.19 -0.55 8.37 8.35 2q3mA6 LEU 262 HA 0.03 -0.04 0.42 -0.75 4.35 4.01 2q3mA6 LEU 262 HB2 -0.02 0.14 0.25 -0.04 1.64 1.96 2q3mA6 LEU 262 HB3 -0.02 0.07 0.19 -0.04 1.64 1.83 2q3mA6 LEU 262 HG -0.07 -0.08 -0.16 -0.04 1.64 1.29 2q3mA6 LEU 262 HD13 -0.08 0.10 0.09 -0.04 0.93 1.00 2q3mA6 LEU 262 HD23 -0.46 -0.03 -0.01 -0.04 0.89 0.34 2q3mA6 CYS 263 H 0.07 0.59 -0.34 -0.55 8.50 8.27 2q3mA6 CYS 263 HA 0.23 0.07 0.54 -0.75 4.58 4.65 2q3mA6 CYS 263 HB2 0.04 0.07 0.04 -0.04 2.97 3.08 2q3mA6 CYS 263 HB3 0.07 -0.12 0.10 -0.04 2.97 2.97 2q3mA6 SER 264 H 0.15 0.50 -0.43 -0.55 8.46 8.14 2q3mA6 SER 264 HA 0.16 0.03 0.53 -0.75 4.49 4.46 2q3mA6 SER 264 HB2 0.08 -0.10 0.11 -0.04 3.95 4.00 2q3mA6 SER 264 HB3 0.11 0.04 0.06 -0.04 3.93 4.10 2q3mA6 PHE 265 H 0.35 0.29 -0.38 -0.55 8.34 8.05 2q3mA6 PHE 265 HA 0.01 0.07 0.44 -0.75 4.62 4.39 2q3mA6 PHE 265 HB2 0.01 -0.04 0.10 -0.04 3.15 3.18 2q3mA6 PHE 265 HB3 0.01 0.07 0.07 -0.04 3.06 3.17 2q3mA6 PHE 265 HD2 0.01 0.10 0.03 -0.04 7.28 7.38 2q3mA6 PHE 265 HE2 -0.01 -0.03 -0.10 -0.04 7.38 7.20 2q3mA6 PHE 265 HZ -0.01 0.10 -0.13 -0.04 7.32 7.24 2q3mA6 GLU 266 H -0.15 0.28 -0.86 -0.55 8.60 7.33 2q3mA6 GLU 266 HA -0.42 0.16 0.56 -0.75 4.29 3.84 2q3mA6 GLU 266 HB2 -0.09 0.18 0.03 -0.04 2.09 2.16 2q3mA6 GLU 266 HB3 -0.13 -0.11 -0.03 -0.04 1.99 1.67 2q3mA6 GLU 266 HG2 -1.95 -0.01 -0.33 -0.04 2.34 0.01 2q3mA6 GLU 266 HG3 -0.33 -0.03 -0.07 -0.04 2.34 1.86 2q3mA6 GLY 296 HA2 -0.06 0.09 0.22 -0.51 4.01 3.75 2q3mA6 GLY 296 HA3 0.05 0.01 0.19 -0.51 4.01 3.74 2q3mA6 TRP 297 H 0.33 0.13 0.07 -0.55 7.97 7.95 2q3mA6 TRP 297 HA 0.08 0.08 0.35 -0.75 4.62 4.37 2q3mA6 TRP 297 HB2 0.02 0.01 -0.01 -0.04 3.23 3.21 2q3mA6 TRP 297 HB3 0.03 0.04 -0.14 -0.04 3.23 3.12 2q3mA6 TRP 297 HD1 0.01 0.01 0.04 -0.04 7.22 7.24 2q3mA6 TRP 297 HE1 0.02 -0.00 0.01 -0.04 10.20 10.18 2q3mA6 TRP 297 HE3 -0.01 -0.02 -0.28 -0.04 7.59 7.24 2q3mA6 TRP 297 HZ2 0.01 -0.01 -0.02 -0.04 7.44 7.38 2q3mA6 TRP 297 HZ3 -0.02 0.03 -0.08 -0.04 7.13 7.02 2q3mA6 TRP 297 HH2 -0.00 0.06 -0.04 -0.04 7.19 7.16 2q3mA6 ARG 298 H -1.03 0.16 -0.58 -0.55 8.46 6.46 2q3mA6 ARG 298 HA -0.80 0.04 0.36 -0.75 4.34 3.18 2q3mA6 ARG 298 HB2 -0.51 0.06 0.01 -0.04 1.90 1.42 2q3mA6 ARG 298 HB3 -0.42 0.05 -0.03 -0.04 1.80 1.36 2q3mA6 ARG 298 HG2 -1.01 0.01 0.02 -0.04 1.67 0.65 2q3mA6 ARG 298 HG3 -1.93 -0.11 -0.00 -0.04 1.67 -0.41 2q3mA6 ARG 298 HD2 -0.39 0.06 -0.00 -0.04 3.22 2.84 2q3mA6 ARG 298 HD3 -0.31 0.03 -0.01 -0.04 3.22 2.89 2q3mA6 ASP 299 H -0.14 0.47 -0.19 -0.55 8.40 7.99 2q3mA6 ASP 299 HA -0.05 0.17 0.70 -0.75 4.63 4.69 2q3mA6 ASP 299 HB2 -0.03 0.06 0.04 -0.04 2.71 2.74 2q3mA6 ASP 299 HB3 -0.02 -0.00 0.13 -0.04 2.70 2.77 2q3mA6 THR 300 H 0.09 0.28 -0.34 -0.55 8.28 7.77 2q3mA6 THR 300 HA 0.18 0.26 1.03 -0.75 4.39 5.10 2q3mA6 THR 300 HB 0.27 -0.08 0.05 -0.04 4.32 4.52 2q3mA6 THR 300 HG23 0.18 -0.01 -0.04 -0.04 1.22 1.31 2q3mA6 LEU 301 H 0.20 0.70 0.20 -0.55 8.37 8.92 2q3mA6 LEU 301 HA 0.08 0.08 0.85 -0.75 4.35 4.61 2q3mA6 LEU 301 HB2 0.49 0.06 0.02 -0.04 1.64 2.18 2q3mA6 LEU 301 HB3 0.14 -0.01 -0.06 -0.04 1.64 1.66 2q3mA6 LEU 301 HG 0.34 -0.03 0.02 -0.04 1.64 1.92 2q3mA6 LEU 301 HD13 -0.01 -0.02 -0.08 -0.04 0.93 0.78 2q3mA6 LEU 301 HD23 0.07 0.01 -0.10 -0.04 0.89 0.83 2q3mA6 SER 302 H 0.01 0.07 0.18 -0.55 8.46 8.17 2q3mA6 SER 302 HA 0.03 0.18 0.42 -0.75 4.49 4.36 2q3mA6 SER 302 HB2 -0.01 0.01 0.13 -0.04 3.95 4.04 2q3mA6 SER 302 HB3 -0.02 0.14 0.14 -0.04 3.93 4.16 2q3mA6 GLU 303 H 0.03 0.22 0.19 -0.55 8.60 8.49 2q3mA6 GLU 303 HA 0.10 0.13 0.38 -0.75 4.29 4.15 2q3mA6 GLU 303 HB2 0.03 0.06 0.18 -0.04 2.09 2.32 2q3mA6 GLU 303 HB3 0.02 0.01 0.03 -0.04 1.99 2.02 2q3mA6 GLU 303 HG2 0.08 -0.00 0.09 -0.04 2.34 2.46 2q3mA6 GLU 303 HG3 0.03 0.06 0.05 -0.04 2.34 2.44 2q3mA6 SER 304 H -0.01 0.09 -0.13 -0.55 8.46 7.87 2q3mA6 SER 304 HA -0.02 0.16 0.53 -0.75 4.49 4.41 2q3mA6 SER 304 HB2 -0.04 0.07 0.05 -0.04 3.95 3.99 2q3mA6 SER 304 HB3 -0.03 0.05 0.07 -0.04 3.93 3.98 2q3mA6 LEU 305 H -0.05 0.09 -0.30 -0.55 8.37 7.56 2q3mA6 LEU 305 HA -0.14 0.10 0.38 -0.75 4.35 3.93 2q3mA6 LEU 305 HB2 -0.09 0.09 0.08 -0.04 1.64 1.68 2q3mA6 LEU 305 HB3 -0.24 0.03 0.01 -0.04 1.64 1.40 2q3mA6 LEU 305 HG -0.11 -0.08 0.04 -0.04 1.64 1.44 2q3mA6 LEU 305 HD13 -0.22 -0.02 -0.02 -0.04 0.93 0.63 2q3mA6 LEU 305 HD23 -0.21 0.01 -0.02 -0.04 0.89 0.63 2q3mA6 ALA 306 H -0.00 0.41 -0.31 -0.55 8.40 7.95 2q3mA6 ALA 306 HA -0.26 0.00 0.42 -0.75 4.34 3.75 2q3mA6 ALA 306 HB3 0.12 0.05 0.03 -0.04 1.41 1.58 2q3mA6 GLU 307 H -0.03 0.39 -0.20 -0.55 8.60 8.22 2q3mA6 GLU 307 HA -0.04 0.03 0.38 -0.75 4.29 3.90 2q3mA6 GLU 307 HB2 -0.03 0.10 0.08 -0.04 2.09 2.19 2q3mA6 GLU 307 HB3 -0.02 -0.01 0.05 -0.04 1.99 1.97 2q3mA6 GLU 307 HG2 0.01 -0.05 0.05 -0.04 2.34 2.31 2q3mA6 GLU 307 HG3 0.00 0.49 0.28 -0.04 2.34 3.07 2q3mA6 GLU 308 H -0.09 0.47 -0.22 -0.55 8.60 8.21 2q3mA6 GLU 308 HA -0.07 0.05 0.45 -0.75 4.29 3.97 2q3mA6 GLU 308 HB2 -0.10 0.01 0.09 -0.04 2.09 2.05 2q3mA6 GLU 308 HB3 -0.14 0.08 0.13 -0.04 1.99 2.02 2q3mA6 GLU 308 HG2 -0.10 0.01 -0.22 -0.04 2.34 1.99 2q3mA6 GLU 308 HG3 -0.08 -0.01 0.04 -0.04 2.34 2.25 2q3mA6 ILE 309 H -0.15 0.47 -0.26 -0.55 8.25 7.76 2q3mA6 ILE 309 HA -0.07 0.07 0.48 -0.75 4.18 3.90 2q3mA6 ILE 309 HB -0.29 0.10 0.16 -0.04 1.89 1.83 2q3mA6 ILE 309 HG12 -0.18 0.01 0.02 -0.04 1.49 1.30 2q3mA6 ILE 309 HG13 -0.25 0.18 0.08 -0.04 1.21 1.17 2q3mA6 ILE 309 HG23 -0.26 -0.04 -0.15 -0.04 0.93 0.44 2q3mA6 ILE 309 HD13 -0.38 -0.04 -0.01 -0.04 0.88 0.41 2q3mA6 ASP 310 H -0.12 0.58 -0.08 -0.55 8.40 8.23 2q3mA6 ASP 310 HA -0.05 -0.05 0.40 -0.75 4.63 4.17 2q3mA6 ASP 310 HB2 -0.05 0.08 0.16 -0.04 2.71 2.86 2q3mA6 ASP 310 HB3 -0.02 -0.01 0.03 -0.04 2.70 2.66 2q3mA6 ARG 311 H -0.04 0.59 -0.25 -0.55 8.46 8.20 2q3mA6 ARG 311 HA -0.02 0.01 0.46 -0.75 4.34 4.04 2q3mA6 ARG 311 HB2 -0.04 0.16 0.17 -0.04 1.90 2.14 2q3mA6 ARG 311 HB3 -0.04 -0.03 -0.02 -0.04 1.80 1.67 2q3mA6 ARG 311 HG2 -0.03 -0.05 0.04 -0.04 1.67 1.59 2q3mA6 ARG 311 HG3 -0.04 0.13 0.03 -0.04 1.67 1.75 2q3mA6 ARG 311 HD2 -0.04 -0.01 0.00 -0.04 3.22 3.14 2q3mA6 ARG 311 HD3 -0.04 -0.04 -0.02 -0.04 3.22 3.08 2q3mA6 THR 312 H -0.01 0.41 -0.12 -0.55 8.28 8.02 2q3mA6 THR 312 HA -0.08 0.06 0.50 -0.75 4.39 4.12 2q3mA6 THR 312 HB 0.16 0.03 0.17 -0.04 4.32 4.64 2q3mA6 THR 312 HG23 -0.01 0.01 -0.02 -0.04 1.22 1.16 2q3mA6 ILE 313 H 0.10 0.64 -0.09 -0.55 8.25 8.35 2q3mA6 ILE 313 HA 0.49 -0.01 0.40 -0.75 4.18 4.30 2q3mA6 ILE 313 HB 0.07 0.09 0.18 -0.04 1.89 2.20 2q3mA6 ILE 313 HG12 0.20 -0.05 0.02 -0.04 1.49 1.61 2q3mA6 ILE 313 HG13 0.11 0.19 0.04 -0.04 1.21 1.51 2q3mA6 ILE 313 HG23 0.20 -0.02 -0.12 -0.04 0.93 0.95 2q3mA6 ILE 313 HD13 -0.24 -0.07 -0.10 -0.04 0.88 0.43 2q3mA6 GLU 314 H 0.06 0.64 -0.15 -0.55 8.60 8.60 2q3mA6 GLU 314 HA 0.08 -0.03 0.29 -0.75 4.29 3.88 2q3mA6 GLU 314 HB2 0.02 0.10 0.17 -0.04 2.09 2.34 2q3mA6 GLU 314 HB3 -0.00 0.07 0.08 -0.04 1.99 2.10 2q3mA6 GLU 314 HG2 0.02 -0.05 0.04 -0.04 2.34 2.31 2q3mA6 GLU 314 HG3 0.00 -0.02 0.01 -0.04 2.34 2.29 2q3mA6 GLU 315 H -0.04 0.45 -0.19 -0.55 8.60 8.28 2q3mA6 GLU 315 HA -0.08 0.02 0.49 -0.75 4.29 3.97 2q3mA6 GLU 315 HB2 -0.10 -0.05 0.12 -0.04 2.09 2.02 2q3mA6 GLU 315 HB3 -0.14 0.08 0.24 -0.04 1.99 2.13 2q3mA6 GLU 315 HG2 -0.30 0.03 -0.17 -0.04 2.34 1.85 2q3mA6 GLU 315 HG3 -0.17 -0.03 -0.02 -0.04 2.34 2.08 2q3mA6 LYS 316 H -0.19 0.70 0.02 -0.55 8.42 8.39 2q3mA6 LYS 316 HA -0.49 0.08 0.52 -0.75 4.32 3.68 2q3mA6 LYS 316 HB2 -0.49 0.01 0.10 -0.04 1.87 1.45 2q3mA6 LYS 316 HB3 -0.97 -0.09 0.05 -0.04 1.79 0.74 2q3mA6 LYS 316 HG2 -0.61 0.18 0.13 -0.04 1.46 1.12 2q3mA6 LYS 316 HG3 -1.42 -0.11 0.03 -0.04 1.46 -0.09 2q3mA6 LYS 316 HD2 -1.73 -0.03 0.04 -0.04 1.69 -0.07 2q3mA6 LYS 316 HD3 -0.76 0.01 -0.08 -0.04 1.68 0.81 2q3mA6 LYS 316 HE2 -0.84 -0.00 0.03 -0.04 2.99 2.14 2q3mA6 LYS 316 HE3 -2.68 0.00 0.03 -0.04 2.99 0.30 2q3mA6 PHE 317 H 0.07 0.56 -0.15 -0.55 8.34 8.27 2q3mA6 PHE 317 HA -0.03 0.17 0.80 -0.75 4.62 4.80 2q3mA6 PHE 317 HB2 0.02 0.16 0.11 -0.04 3.15 3.40 2q3mA6 PHE 317 HB3 -0.08 -0.03 0.21 -0.04 3.06 3.12 2q3mA6 PHE 317 HD2 -0.00 0.09 0.08 -0.04 7.28 7.40 2q3mA6 PHE 317 HE2 0.25 -0.06 -0.04 -0.04 7.38 7.49 2q3mA6 PHE 317 HZ 0.34 -0.04 -0.00 -0.04 7.32 7.58 2q3mA6 LYS 318 H -0.03 0.28 -0.47 -0.55 8.42 7.64 2q3mA6 LYS 318 HA 0.02 -0.09 0.38 -0.75 4.32 3.87 2q3mA6 LYS 318 HB2 -0.03 0.17 0.20 -0.04 1.87 2.17 2q3mA6 LYS 318 HB3 -0.03 0.01 0.12 -0.04 1.79 1.84 2q3mA6 LYS 318 HG2 -0.02 -0.03 0.01 -0.04 1.46 1.37 2q3mA6 LYS 318 HG3 -0.00 -0.02 -0.20 -0.04 1.46 1.20 2q3mA6 LYS 318 HD2 0.00 -0.11 0.06 -0.04 1.69 1.60 2q3mA6 LYS 318 HD3 -0.01 0.05 0.03 -0.04 1.68 1.72 2q3mA6 LYS 318 HE2 -0.01 -0.01 -0.01 -0.04 2.99 2.92 2q3mA6 LYS 318 HE3 -0.00 0.00 -0.03 -0.04 2.99 2.91 2q3mA6 GLY 319 H 0.02 0.06 0.21 -0.55 8.43 8.18 2q3mA6 GLY 319 HA2 0.03 -0.07 0.36 -0.51 4.01 3.82 2q3mA6 GLY 319 HA3 0.03 0.05 0.41 -0.51 4.01 3.99 2q3mA6 SER 320 H 0.03 0.38 -0.03 -0.55 8.46 8.30 2q3mA6 SER 320 HA 0.21 0.20 0.64 -0.75 4.49 4.78 2q3mA6 SER 320 HB2 0.05 -0.04 0.05 -0.04 3.95 3.98 2q3mA6 SER 320 HB3 0.11 0.10 -0.03 -0.04 3.93 4.07 2q3mA6 GLY 321 H 0.00 0.05 -0.10 -0.55 8.43 7.84 2q3mA6 GLY 321 HA2 0.09 -0.01 0.23 -0.51 4.01 3.82 2q3mA6 GLY 321 HA3 0.37 0.24 0.68 -0.51 4.01 4.79 2q3mA6 LEU 322 H -0.48 0.09 -0.26 -0.55 8.37 7.17 2q3mA6 LEU 322 HA -0.82 0.18 0.89 -0.75 4.35 3.85 2q3mA6 LEU 322 HB2 -3.16 0.09 -0.11 -0.04 1.64 -1.58 2q3mA6 LEU 322 HB3 -1.13 -0.00 0.04 -0.04 1.64 0.51 2q3mA6 LEU 322 HG -1.31 -0.06 -0.39 -0.04 1.64 -0.16 2q3mA6 LEU 322 HD13 -0.83 -0.01 -0.05 -0.04 0.93 0.01 2q3mA6 LEU 322 HD23 -0.56 -0.01 -0.13 -0.04 0.89 0.16 2q3mA6 LYS 323 H -0.48 0.28 0.15 -0.55 8.42 7.82 2q3mA6 LYS 323 HA -0.30 0.16 0.82 -0.75 4.32 4.25 2q3mA6 LYS 323 HB2 -0.16 0.00 -0.01 -0.04 1.87 1.66 2q3mA6 LYS 323 HB3 -0.10 0.08 -0.04 -0.04 1.79 1.69 2q3mA6 LYS 323 HG2 -0.13 -0.02 -0.39 -0.04 1.46 0.88 2q3mA6 LYS 323 HG3 -0.07 0.01 -0.11 -0.04 1.46 1.26 2q3mA6 LYS 323 HD2 -0.04 0.00 0.05 -0.04 1.69 1.66 2q3mA6 LYS 323 HD3 -0.03 -0.01 -0.03 -0.04 1.68 1.57 2q3mA6 LYS 323 HE2 -0.02 -0.01 -0.02 -0.04 2.99 2.90 2q3mA6 LYS 323 HE3 -0.01 0.05 0.01 -0.04 2.99 3.00 2q3mA6 PHE 324 H 0.05 0.15 0.11 -0.55 8.34 8.10 2q3mA6 PHE 324 HA -0.05 0.28 1.08 -0.75 4.62 5.18 2q3mA6 PHE 324 HB2 -0.09 0.03 0.02 -0.04 3.15 3.07 2q3mA6 PHE 324 HB3 -0.04 -0.20 0.13 -0.04 3.06 2.91 2q3mA6 PHE 324 HD2 -0.14 -0.04 -0.06 -0.04 7.28 7.00 2q3mA6 PHE 324 HE2 -0.65 0.05 -0.16 -0.04 7.38 6.57 2q3mA6 PHE 324 HZ -0.34 0.06 -0.12 -0.04 7.32 6.87 2q3mA6 SER 325 H 0.23 0.04 0.07 -0.55 8.46 8.25 2q3mA6 SER 325 HA 0.10 0.19 0.26 -0.75 4.49 4.29 2q3mA6 SER 325 HB2 0.22 -0.06 0.10 -0.04 3.95 4.17 2q3mA6 SER 325 HB3 0.15 0.08 0.07 -0.04 3.93 4.19