============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TRP 10 1.040 -17.103 -92.746 -61.386 -99.200 -91.000 TRP6 10 1.020 -16.616 -94.346 -59.715 -99.200 -91.000 TYR 28 0.840 -29.561-114.416 -68.997 -99.200 -91.000 HIS 33 0.900 -34.208 -99.213 -57.070 -99.200 -91.000 PHE 55 1.000 -23.675 -98.832 -48.613 -99.200 -91.000 HIS 56 0.900 -21.963-100.936 -54.190 -99.200 -91.000 TRP 62 1.040 -19.799-106.898 -51.749 -99.200 -91.000 TRP6 62 1.020 -21.860-105.944 -52.409 -99.200 -91.000 TYR 67 0.840 -25.020-100.663 -59.030 -99.200 -91.000 PHE 69 1.000 -20.706 -99.755 -68.904 -99.200 -91.000 TYR 78 0.840 -22.370 -90.281 -64.326 -99.200 -91.000 TRP 83 1.040 -18.362-101.218 -72.621 -99.200 -91.000 TRP6 83 1.020 -20.645-101.495 -73.158 -99.200 -91.000 HIS 89 0.900 -24.566-106.976 -61.840 -99.200 -91.000 TYR 93 0.840 -29.494-114.436 -63.571 -99.200 -91.000 PHE 102 1.000 -32.179 -96.708 -65.849 -99.200 -91.000 PHE 106 1.000 -35.161 -94.138 -60.783 -99.200 -91.000 HIS 131 0.900 -17.564-104.462 -75.514 -99.200 -91.000 TYR 136 0.840 -29.957-107.119 -75.367 -99.200 -91.000 HIS 141 0.900 -31.020-106.526 -57.749 -99.200 -91.000 TYR 155 0.840 -40.559-106.348 -63.141 -99.200 -91.000 TRP 161 1.040 -37.392-100.232 -72.159 -99.200 -91.000 TRP6 161 1.020 -35.249 -99.604 -71.382 -99.200 -91.000 HIS 163 0.900 -32.784-107.781 -77.686 -99.200 -91.000 PHE 164 1.000 -39.358-108.347 -69.142 -99.200 -91.000 TYR 165 0.840 -35.516-115.424 -70.664 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2cb3D1 LEU 174 HA 0.14 -0.02 0.17 -0.75 4.35 3.88 2cb3D1 LEU 174 HB2 0.06 0.00 0.00 -0.04 1.64 1.67 2cb3D1 LEU 174 HB3 0.16 0.00 -0.03 -0.04 1.64 1.73 2cb3D1 LEU 174 HG 0.01 0.02 0.01 -0.04 1.64 1.64 2cb3D1 LEU 174 HD13 -0.01 0.02 -0.02 -0.04 0.93 0.88 2cb3D1 LEU 174 HD23 0.28 -0.00 -0.02 -0.04 0.89 1.11 2cb3D1 SER 175 H 0.04 0.25 0.10 -0.55 8.46 8.31 2cb3D1 SER 175 HA 0.05 0.12 0.49 -0.75 4.49 4.40 2cb3D1 SER 175 HB2 0.02 0.00 0.11 -0.04 3.95 4.04 2cb3D1 SER 175 HB3 0.03 0.01 0.11 -0.04 3.93 4.03 2cb3D1 ALA 176 H 0.03 0.12 -0.34 -0.55 8.40 7.66 2cb3D1 ALA 176 HA 0.00 0.11 0.49 -0.75 4.34 4.18 2cb3D1 ALA 176 HB3 -0.00 -0.00 0.03 -0.04 1.41 1.39 2cb3D1 ILE 177 H 0.05 0.31 -0.48 -0.55 8.25 7.59 2cb3D1 ILE 177 HA -0.02 0.04 0.48 -0.75 4.18 3.93 2cb3D1 ILE 177 HB 0.13 0.16 0.06 -0.04 1.89 2.19 2cb3D1 ILE 177 HG12 -0.01 -0.06 -0.09 -0.04 1.49 1.28 2cb3D1 ILE 177 HG13 0.07 -0.08 -0.05 -0.04 1.21 1.11 2cb3D1 ILE 177 HG23 0.18 -0.03 -0.38 -0.04 0.93 0.65 2cb3D1 ILE 177 HD13 0.20 0.01 -0.03 -0.04 0.88 1.01 2cb3D1 ILE 178 H -0.11 0.51 0.34 -0.55 8.25 8.45 2cb3D1 ILE 178 HA 0.02 0.13 0.55 -0.75 4.18 4.13 2cb3D1 ILE 178 HB -0.29 -0.07 0.24 -0.04 1.89 1.72 2cb3D1 ILE 178 HG12 -0.08 0.04 0.02 -0.04 1.49 1.43 2cb3D1 ILE 178 HG13 -0.24 0.13 0.14 -0.04 1.21 1.19 2cb3D1 ILE 178 HG23 0.20 0.01 -0.09 -0.04 0.93 1.00 2cb3D1 ILE 178 HD13 -0.40 -0.04 -0.03 -0.04 0.88 0.36 2cb3D1 PRO 179 HA 0.10 0.08 0.48 -0.51 4.44 4.58 2cb3D1 PRO 179 HB2 -0.01 -0.10 0.07 -0.04 2.28 2.20 2cb3D1 PRO 179 HB3 0.04 0.15 0.12 -0.04 2.02 2.29 2cb3D1 PRO 179 HG2 0.02 -0.18 0.06 -0.04 2.03 1.89 2cb3D1 PRO 179 HG3 0.02 0.11 0.09 -0.04 2.03 2.21 2cb3D1 PRO 179 HD2 0.05 0.03 0.26 -0.04 3.68 3.98 2cb3D1 PRO 179 HD3 0.05 0.45 0.33 -0.04 3.65 4.43 2cb3D1 ARG 180 H -0.05 0.21 0.15 -0.55 8.46 8.22 2cb3D1 ARG 180 HA -0.95 0.15 0.36 -0.75 4.34 3.15 2cb3D1 ARG 180 HB2 -0.26 -0.04 0.08 -0.04 1.90 1.64 2cb3D1 ARG 180 HB3 -0.66 0.02 -0.02 -0.04 1.80 1.10 2cb3D1 ARG 180 HG2 0.01 0.12 0.01 -0.04 1.67 1.77 2cb3D1 ARG 180 HG3 0.00 -0.12 0.02 -0.04 1.67 1.53 2cb3D1 ARG 180 HD2 -0.02 0.19 -0.00 -0.04 3.22 3.35 2cb3D1 ARG 180 HD3 -0.08 -0.09 -0.01 -0.04 3.22 3.00 2cb3D1 SER 181 H -0.18 0.09 -0.25 -0.55 8.46 7.58 2cb3D1 SER 181 HA -0.23 0.11 0.36 -0.75 4.49 3.98 2cb3D1 SER 181 HB2 -0.07 0.04 0.03 -0.04 3.95 3.91 2cb3D1 SER 181 HB3 -0.10 0.03 0.06 -0.04 3.93 3.89 2cb3D1 SER 182 H -0.06 0.40 -0.40 -0.55 8.46 7.86 2cb3D1 SER 182 HA 0.03 0.09 0.48 -0.75 4.49 4.34 2cb3D1 SER 182 HB2 0.14 0.21 0.02 -0.04 3.95 4.28 2cb3D1 SER 182 HB3 0.15 -0.06 0.03 -0.04 3.93 4.01 2cb3D1 TRP 183 H -0.24 0.45 -0.31 -0.55 7.97 7.32 2cb3D1 TRP 183 HA 0.04 0.17 0.91 -0.75 4.62 4.99 2cb3D1 TRP 183 HB2 0.01 0.01 0.18 -0.04 3.23 3.39 2cb3D1 TRP 183 HB3 0.07 -0.08 0.00 -0.04 3.23 3.18 2cb3D1 TRP 183 HD1 0.19 -0.02 -0.17 -0.04 7.22 7.18 2cb3D1 TRP 183 HE1 0.08 0.34 0.00 -0.04 10.20 10.58 2cb3D1 TRP 183 HE3 0.01 0.00 -0.11 -0.04 7.59 7.45 2cb3D1 TRP 183 HZ2 0.01 0.16 0.09 -0.04 7.44 7.66 2cb3D1 TRP 183 HZ3 0.01 -0.04 0.01 -0.04 7.13 7.07 2cb3D1 TRP 183 HH2 0.02 -0.05 0.03 -0.04 7.19 7.14 2cb3D1 LEU 184 H -0.07 0.31 -0.39 -0.55 8.37 7.68 2cb3D1 LEU 184 HA -0.11 0.08 0.30 -0.75 4.35 3.87 2cb3D1 LEU 184 HB2 0.08 0.08 -0.11 -0.04 1.64 1.65 2cb3D1 LEU 184 HB3 0.01 -0.02 0.13 -0.04 1.64 1.71 2cb3D1 LEU 184 HG 0.06 -0.03 -0.29 -0.04 1.64 1.34 2cb3D1 LEU 184 HD13 0.04 -0.02 -0.07 -0.04 0.93 0.84 2cb3D1 LEU 184 HD23 -0.01 0.04 0.03 -0.04 0.89 0.91 2cb3D1 ALA 185 H -0.73 0.33 -0.18 -0.55 8.40 7.26 2cb3D1 ALA 185 HA -0.31 0.01 0.34 -0.75 4.34 3.62 2cb3D1 ALA 185 HB3 -1.36 -0.01 -0.02 -0.04 1.41 -0.02 2cb3D1 GLN 186 H -0.03 0.05 0.17 -0.55 8.47 8.12 2cb3D1 GLN 186 HA -0.04 0.08 0.58 -0.75 4.36 4.22 2cb3D1 GLN 186 HB2 0.03 0.01 0.07 -0.04 2.15 2.22 2cb3D1 GLN 186 HB3 0.05 -0.06 0.05 -0.04 2.02 2.01 2cb3D1 GLN 186 HG2 0.01 0.25 -0.12 -0.04 2.40 2.50 2cb3D1 GLN 186 HG3 0.01 -0.04 0.04 -0.04 2.39 2.36 2cb3D1 GLN 186 HE21 0.03 -0.04 -0.06 -0.04 6.97 6.86 2cb3D1 GLN 186 HE22 0.02 0.13 -0.06 -0.04 7.69 7.74 2cb3D1 LYS 187 H -0.03 0.09 0.10 -0.55 8.42 8.03 2cb3D1 LYS 187 HA -0.04 0.12 0.60 -0.75 4.32 4.25 2cb3D1 LYS 187 HB2 -0.03 -0.06 0.06 -0.04 1.87 1.79 2cb3D1 LYS 187 HB3 -0.02 -0.01 0.05 -0.04 1.79 1.77 2cb3D1 LYS 187 HG2 -0.01 0.23 -0.06 -0.04 1.46 1.58 2cb3D1 LYS 187 HG3 -0.02 -0.06 0.04 -0.04 1.46 1.38 2cb3D1 LYS 187 HD2 -0.02 -0.08 -0.01 -0.04 1.69 1.54 2cb3D1 LYS 187 HD3 -0.01 0.02 -0.04 -0.04 1.68 1.60 2cb3D1 LYS 187 HE2 -0.01 0.08 -0.04 -0.04 2.99 2.98 2cb3D1 LYS 187 HE3 -0.01 -0.04 -0.01 -0.04 2.99 2.88 2cb3D1 PRO 188 HA 0.03 0.15 0.51 -0.51 4.44 4.63 2cb3D1 PRO 188 HB2 0.01 0.09 0.05 -0.04 2.28 2.39 2cb3D1 PRO 188 HB3 0.03 0.05 0.08 -0.04 2.02 2.14 2cb3D1 PRO 188 HG2 0.01 0.01 0.09 -0.04 2.03 2.10 2cb3D1 PRO 188 HG3 0.03 0.00 0.10 -0.04 2.03 2.13 2cb3D1 PRO 188 HD2 -0.01 0.06 0.18 -0.04 3.68 3.87 2cb3D1 PRO 188 HD3 -0.01 0.13 0.26 -0.04 3.65 3.98 2cb3D1 MET 189 H 0.03 0.21 0.25 -0.55 8.47 8.41 2cb3D1 MET 189 HA 0.01 0.08 0.45 -0.75 4.52 4.31 2cb3D1 MET 189 HB2 0.02 -0.01 0.09 -0.04 2.15 2.22 2cb3D1 MET 189 HB3 0.01 -0.04 0.07 -0.04 2.03 2.03 2cb3D1 MET 189 HG2 0.02 0.05 0.03 -0.04 2.63 2.69 2cb3D1 MET 189 HG3 0.03 0.06 0.10 -0.04 2.56 2.72 2cb3D1 MET 189 HE3 0.01 -0.01 0.01 -0.04 2.10 2.06 2cb3D1 ASP 190 H 0.02 0.10 -0.06 -0.55 8.40 7.91 2cb3D1 ASP 190 HA 0.01 0.18 0.88 -0.75 4.63 4.94 2cb3D1 ASP 190 HB2 0.01 -0.03 -0.03 -0.04 2.71 2.63 2cb3D1 ASP 190 HB3 0.01 0.03 0.01 -0.04 2.70 2.70 2cb3D1 GLU 191 H 0.00 0.07 0.08 -0.55 8.60 8.21 2cb3D1 GLU 191 HA 0.00 0.09 0.39 -0.75 4.29 4.02 2cb3D1 GLU 191 HB2 0.00 -0.08 0.17 -0.04 2.09 2.13 2cb3D1 GLU 191 HB3 0.00 0.13 0.01 -0.04 1.99 2.09 2cb3D1 GLU 191 HG2 0.00 -0.02 0.03 -0.04 2.34 2.32 2cb3D1 GLU 191 HG3 0.00 -0.05 0.04 -0.04 2.34 2.30 2cb3D1 PRO 192 HA -0.00 0.02 0.40 -0.51 4.44 4.35 2cb3D1 PRO 192 HB2 0.00 0.03 -0.05 -0.04 2.28 2.23 2cb3D1 PRO 192 HB3 0.00 0.03 0.10 -0.04 2.02 2.11 2cb3D1 PRO 192 HG2 0.01 -0.01 0.02 -0.04 2.03 2.00 2cb3D1 PRO 192 HG3 0.00 0.02 0.05 -0.04 2.03 2.07 2cb3D1 PRO 192 HD2 0.00 0.00 0.21 -0.04 3.68 3.85 2cb3D1 PRO 192 HD3 0.00 0.24 0.20 -0.04 3.65 4.05 2cb3D1 LEU 193 H -0.01 0.14 0.17 -0.55 8.37 8.13 2cb3D1 LEU 193 HA -0.00 0.21 0.84 -0.75 4.35 4.64 2cb3D1 LEU 193 HB2 -0.02 0.01 0.06 -0.04 1.64 1.65 2cb3D1 LEU 193 HB3 -0.02 -0.06 0.16 -0.04 1.64 1.67 2cb3D1 LEU 193 HG -0.01 0.13 -0.09 -0.04 1.64 1.62 2cb3D1 LEU 193 HD13 -0.01 0.00 0.05 -0.04 0.93 0.93 2cb3D1 LEU 193 HD23 -0.03 -0.03 -0.02 -0.04 0.89 0.78 2cb3D1 PRO 194 HA 0.02 0.23 0.68 -0.51 4.44 4.87 2cb3D1 PRO 194 HB2 0.03 0.05 -0.03 -0.04 2.28 2.29 2cb3D1 PRO 194 HB3 0.02 -0.00 0.09 -0.04 2.02 2.10 2cb3D1 PRO 194 HG2 0.01 -0.00 0.12 -0.04 2.03 2.12 2cb3D1 PRO 194 HG3 0.01 0.01 0.08 -0.04 2.03 2.09 2cb3D1 PRO 194 HD2 0.00 0.05 0.27 -0.04 3.68 3.96 2cb3D1 PRO 194 HD3 0.01 0.21 0.15 -0.04 3.65 3.98 2cb3D1 LEU 195 H 0.04 0.69 0.18 -0.55 8.37 8.74 2cb3D1 LEU 195 HA 0.04 0.06 0.61 -0.75 4.35 4.31 2cb3D1 LEU 195 HB2 0.05 -0.09 -0.42 -0.04 1.64 1.14 2cb3D1 LEU 195 HB3 0.08 -0.03 -0.22 -0.04 1.64 1.43 2cb3D1 LEU 195 HG 0.10 0.08 -0.34 -0.04 1.64 1.44 2cb3D1 LEU 195 HD13 0.07 -0.03 -0.04 -0.04 0.93 0.89 2cb3D1 LEU 195 HD23 0.12 0.04 -0.17 -0.04 0.89 0.84 2cb3D1 GLN 196 H 0.04 0.17 0.15 -0.55 8.47 8.28 2cb3D1 GLN 196 HA 0.05 0.03 0.58 -0.75 4.36 4.27 2cb3D1 GLN 196 HB2 0.04 0.01 0.14 -0.04 2.15 2.29 2cb3D1 GLN 196 HB3 0.03 0.03 0.03 -0.04 2.02 2.07 2cb3D1 GLN 196 HG2 0.03 0.02 -0.06 -0.04 2.40 2.35 2cb3D1 GLN 196 HG3 0.02 0.02 0.11 -0.04 2.39 2.50 2cb3D1 GLN 196 HE21 0.01 -0.05 0.00 -0.04 6.97 6.90 2cb3D1 GLN 196 HE22 0.02 0.02 -0.02 -0.04 7.69 7.67 2cb3D1 LEU 197 H 0.06 0.11 0.19 -0.55 8.37 8.19 2cb3D1 LEU 197 HA 0.09 0.10 0.57 -0.75 4.35 4.35 2cb3D1 LEU 197 HB2 0.10 -0.06 0.11 -0.04 1.64 1.74 2cb3D1 LEU 197 HB3 0.10 0.16 0.11 -0.04 1.64 1.96 2cb3D1 LEU 197 HG 0.22 0.05 0.12 -0.04 1.64 1.98 2cb3D1 LEU 197 HD13 0.13 0.13 -0.39 -0.04 0.93 0.76 2cb3D1 LEU 197 HD23 0.23 -0.00 -0.04 -0.04 0.89 1.04 2cb3D1 PRO 198 HA 0.08 0.20 0.30 -0.51 4.44 4.51 2cb3D1 PRO 198 HB2 0.04 -0.08 -0.51 -0.04 2.28 1.68 2cb3D1 PRO 198 HB3 0.01 0.22 -0.32 -0.04 2.02 1.90 2cb3D1 PRO 198 HG2 0.03 -0.03 -0.05 -0.04 2.03 1.94 2cb3D1 PRO 198 HG3 0.01 -0.04 -0.03 -0.04 2.03 1.94 2cb3D1 PRO 198 HD2 0.02 0.06 0.33 -0.04 3.68 4.05 2cb3D1 PRO 198 HD3 0.01 0.09 0.14 -0.04 3.65 3.85 2cb3D1 VAL 199 H 0.11 0.70 0.30 -0.55 8.24 8.80 2cb3D1 VAL 199 HA 0.11 0.15 0.55 -0.75 4.13 4.18 2cb3D1 VAL 199 HB 0.15 0.15 0.13 -0.04 2.12 2.51 2cb3D1 VAL 199 HG13 0.13 -0.09 -0.11 -0.04 0.97 0.86 2cb3D1 VAL 199 HG23 0.15 0.01 -0.35 -0.04 0.95 0.72 2cb3D1 LYS 200 H 0.14 0.23 0.23 -0.55 8.42 8.47 2cb3D1 LYS 200 HA 0.03 0.05 0.64 -0.75 4.32 4.28 2cb3D1 LYS 200 HB2 0.09 0.03 0.19 -0.04 1.87 2.15 2cb3D1 LYS 200 HB3 0.00 0.03 0.03 -0.04 1.79 1.81 2cb3D1 LYS 200 HG2 -0.01 -0.01 -0.00 -0.04 1.46 1.39 2cb3D1 LYS 200 HG3 -0.02 -0.01 0.03 -0.04 1.46 1.42 2cb3D1 LYS 200 HD2 -0.40 -0.01 0.03 -0.04 1.69 1.27 2cb3D1 LYS 200 HD3 -0.17 -0.04 0.11 -0.04 1.68 1.55 2cb3D1 LYS 200 HE2 -0.06 -0.07 -0.04 -0.04 2.99 2.78 2cb3D1 LYS 200 HE3 -0.10 -0.02 -0.00 -0.04 2.99 2.83 2cb3D1 TYR 201 H 0.29 0.35 0.24 -0.55 8.29 8.62 2cb3D1 TYR 201 HA 0.16 0.29 1.15 -0.75 4.56 5.40 2cb3D1 TYR 201 HB2 0.20 0.06 0.03 -0.04 3.06 3.30 2cb3D1 TYR 201 HB3 0.17 -0.06 -0.05 -0.04 2.98 3.00 2cb3D1 TYR 201 HD2 0.11 0.04 -0.04 -0.04 7.15 7.22 2cb3D1 TYR 201 HE2 0.03 -0.01 -0.05 -0.04 6.85 6.78 2cb3D1 VAL 202 H 0.29 0.66 0.28 -0.55 8.24 8.92 2cb3D1 VAL 202 HA 0.12 0.10 0.99 -0.75 4.13 4.58 2cb3D1 VAL 202 HB 0.16 0.01 0.06 -0.04 2.12 2.30 2cb3D1 VAL 202 HG13 0.06 -0.01 -0.18 -0.04 0.97 0.80 2cb3D1 VAL 202 HG23 -0.12 -0.00 -0.21 -0.04 0.95 0.57 2cb3D1 VAL 203 H 0.06 0.42 0.18 -0.55 8.24 8.35 2cb3D1 VAL 203 HA 0.06 0.32 0.81 -0.75 4.13 4.57 2cb3D1 VAL 203 HB -0.08 -0.12 -0.03 -0.04 2.12 1.85 2cb3D1 VAL 203 HG13 -0.03 -0.01 -0.37 -0.04 0.97 0.53 2cb3D1 VAL 203 HG23 0.06 0.01 -0.24 -0.04 0.95 0.74 2cb3D1 ILE 204 H 0.06 0.62 0.47 -0.55 8.25 8.85 2cb3D1 ILE 204 HA 0.03 0.30 1.06 -0.75 4.18 4.82 2cb3D1 ILE 204 HB 0.04 -0.06 0.17 -0.04 1.89 1.99 2cb3D1 ILE 204 HG12 0.11 0.13 -0.09 -0.04 1.49 1.61 2cb3D1 ILE 204 HG13 0.01 -0.01 -0.05 -0.04 1.21 1.12 2cb3D1 ILE 204 HG23 0.13 -0.02 -0.07 -0.04 0.93 0.93 2cb3D1 ILE 204 HD13 0.16 0.01 -0.10 -0.04 0.88 0.91 2cb3D1 LEU 205 H 0.02 0.73 0.45 -0.55 8.37 9.03 2cb3D1 LEU 205 HA 0.10 0.06 0.89 -0.75 4.35 4.64 2cb3D1 LEU 205 HB2 -0.04 -0.03 -0.12 -0.04 1.64 1.41 2cb3D1 LEU 205 HB3 0.15 0.03 0.13 -0.04 1.64 1.91 2cb3D1 LEU 205 HG -0.13 0.02 -0.43 -0.04 1.64 1.06 2cb3D1 LEU 205 HD13 -0.12 0.02 -0.35 -0.04 0.93 0.43 2cb3D1 LEU 205 HD23 -0.25 -0.00 -0.16 -0.04 0.89 0.44 2cb3D1 HIS 206 H 0.35 0.19 0.28 -0.55 8.41 8.69 2cb3D1 HIS 206 HA 0.18 0.24 0.93 -0.75 4.63 5.23 2cb3D1 HIS 206 HB2 0.35 0.06 0.14 -0.04 3.26 3.78 2cb3D1 HIS 206 HB3 0.27 0.19 0.04 -0.04 3.20 3.65 2cb3D1 HIS 206 HD2 0.15 0.07 -0.04 -0.04 6.97 7.10 2cb3D1 HIS 206 HE1 0.01 -0.00 -0.13 -0.04 7.75 7.59 2cb3D1 THR 207 H 0.03 0.33 0.38 -0.55 8.28 8.48 2cb3D1 THR 207 HA 0.13 0.23 0.84 -0.75 4.39 4.84 2cb3D1 THR 207 HB -0.01 0.06 0.06 -0.04 4.32 4.39 2cb3D1 THR 207 HG23 -0.08 0.04 -0.18 -0.04 1.22 0.95 2cb3D1 ALA 208 H -0.61 0.34 0.22 -0.55 8.40 7.81 2cb3D1 ALA 208 HA -0.50 -0.09 0.31 -0.75 4.34 3.30 2cb3D1 ALA 208 HB3 -0.14 0.06 0.08 -0.04 1.41 1.36 2cb3D1 THR 209 H -0.21 -0.03 -0.27 -0.55 8.28 7.22 2cb3D1 THR 209 HA -0.16 0.24 0.75 -0.75 4.39 4.48 2cb3D1 THR 209 HB -0.14 -0.09 0.13 -0.04 4.32 4.18 2cb3D1 THR 209 HG23 -0.16 0.04 -0.18 -0.04 1.22 0.89 2cb3D1 GLU 210 H -0.12 0.13 0.09 -0.55 8.60 8.15 2cb3D1 GLU 210 HA -0.12 0.09 0.52 -0.75 4.29 4.02 2cb3D1 GLU 210 HB2 -0.07 0.03 0.14 -0.04 2.09 2.15 2cb3D1 GLU 210 HB3 -0.08 0.03 0.11 -0.04 1.99 2.00 2cb3D1 GLU 210 HG2 -0.08 -0.06 -0.09 -0.04 2.34 2.06 2cb3D1 GLU 210 HG3 -0.06 0.07 -0.39 -0.04 2.34 1.92 2cb3D1 SER 211 H -0.08 0.18 0.21 -0.55 8.46 8.23 2cb3D1 SER 211 HA -0.01 0.25 0.78 -0.75 4.49 4.76 2cb3D1 SER 211 HB2 0.12 -0.02 0.19 -0.04 3.95 4.20 2cb3D1 SER 211 HB3 -0.08 -0.06 0.14 -0.04 3.93 3.88 2cb3D1 SER 212 H 0.04 0.19 0.22 -0.55 8.46 8.38 2cb3D1 SER 212 HA 0.02 0.18 0.67 -0.75 4.49 4.60 2cb3D1 SER 212 HB2 -0.01 0.18 -0.24 -0.04 3.95 3.84 2cb3D1 SER 212 HB3 -0.00 -0.01 -0.07 -0.04 3.93 3.81 2cb3D1 GLU 213 H 0.03 0.23 0.14 -0.55 8.60 8.46 2cb3D1 GLU 213 HA 0.06 0.13 0.37 -0.75 4.29 4.10 2cb3D1 GLU 213 HB2 0.03 0.01 0.06 -0.04 2.09 2.16 2cb3D1 GLU 213 HB3 0.04 0.08 0.14 -0.04 1.99 2.21 2cb3D1 GLU 213 HG2 0.06 0.16 -0.04 -0.04 2.34 2.48 2cb3D1 GLU 213 HG3 0.04 -0.08 -0.06 -0.04 2.34 2.20 2cb3D1 LYS 214 H 0.03 0.00 -0.11 -0.55 8.42 7.79 2cb3D1 LYS 214 HA 0.04 0.26 0.84 -0.75 4.32 4.70 2cb3D1 LYS 214 HB2 0.02 -0.07 0.14 -0.04 1.87 1.91 2cb3D1 LYS 214 HB3 0.03 0.01 0.04 -0.04 1.79 1.83 2cb3D1 LYS 214 HG2 0.02 0.12 -0.01 -0.04 1.46 1.55 2cb3D1 LYS 214 HG3 0.02 -0.11 -0.01 -0.04 1.46 1.32 2cb3D1 LYS 214 HD2 0.01 -0.02 0.03 -0.04 1.69 1.67 2cb3D1 LYS 214 HD3 0.01 0.04 0.01 -0.04 1.68 1.71 2cb3D1 LYS 214 HE2 0.01 0.05 0.00 -0.04 2.99 3.02 2cb3D1 LYS 214 HE3 0.01 -0.03 0.01 -0.04 2.99 2.95 2cb3D1 ARG 215 H 0.07 0.31 0.16 -0.55 8.46 8.44 2cb3D1 ARG 215 HA 0.16 0.03 0.34 -0.75 4.34 4.13 2cb3D1 ARG 215 HB2 0.11 0.08 0.11 -0.04 1.90 2.16 2cb3D1 ARG 215 HB3 0.08 -0.00 0.15 -0.04 1.80 1.99 2cb3D1 ARG 215 HG2 0.13 0.03 -0.25 -0.04 1.67 1.55 2cb3D1 ARG 215 HG3 0.27 -0.03 -0.02 -0.04 1.67 1.84 2cb3D1 ARG 215 HD2 0.07 0.02 -0.01 -0.04 3.22 3.26 2cb3D1 ARG 215 HD3 0.07 0.01 -0.00 -0.04 3.22 3.26 2cb3D1 ALA 216 H 0.05 0.11 -0.13 -0.55 8.40 7.89 2cb3D1 ALA 216 HA 0.06 0.15 0.35 -0.75 4.34 4.14 2cb3D1 ALA 216 HB3 0.03 0.03 0.04 -0.04 1.41 1.47 2cb3D1 ILE 217 H 0.02 0.13 -0.41 -0.55 8.25 7.44 2cb3D1 ILE 217 HA -0.02 0.14 0.51 -0.75 4.18 4.06 2cb3D1 ILE 217 HB -0.01 0.00 0.07 -0.04 1.89 1.91 2cb3D1 ILE 217 HG12 0.01 -0.10 0.01 -0.04 1.49 1.37 2cb3D1 ILE 217 HG13 -0.00 0.02 0.02 -0.04 1.21 1.21 2cb3D1 ILE 217 HG23 -0.03 0.02 -0.10 -0.04 0.93 0.78 2cb3D1 ILE 217 HD13 -0.00 0.03 -0.10 -0.04 0.88 0.77 2cb3D1 ASN 218 H -0.02 0.43 -0.03 -0.55 8.53 8.37 2cb3D1 ASN 218 HA -0.16 0.01 0.39 -0.75 4.76 4.25 2cb3D1 ASN 218 HB2 -0.05 0.11 0.11 -0.04 2.88 3.01 2cb3D1 ASN 218 HB3 -0.47 0.02 -0.02 -0.04 2.79 2.29 2cb3D1 ASN 218 HD21 0.06 0.35 -0.01 -0.04 7.03 7.39 2cb3D1 ASN 218 HD22 0.08 0.05 -0.32 -0.04 7.74 7.51 2cb3D1 VAL 219 H -0.04 0.53 -0.29 -0.55 8.24 7.89 2cb3D1 VAL 219 HA -0.12 0.03 0.37 -0.75 4.13 3.66 2cb3D1 VAL 219 HB 0.06 0.09 0.11 -0.04 2.12 2.33 2cb3D1 VAL 219 HG13 0.17 0.01 -0.05 -0.04 0.97 1.06 2cb3D1 VAL 219 HG23 0.21 0.04 -0.04 -0.04 0.95 1.12 2cb3D1 ARG 220 H -0.03 0.33 -0.19 -0.55 8.46 8.02 2cb3D1 ARG 220 HA 0.00 0.07 0.42 -0.75 4.34 4.09 2cb3D1 ARG 220 HB2 -0.01 0.08 0.18 -0.04 1.90 2.11 2cb3D1 ARG 220 HB3 -0.04 0.06 0.18 -0.04 1.80 1.96 2cb3D1 ARG 220 HG2 -0.03 -0.04 -0.09 -0.04 1.67 1.47 2cb3D1 ARG 220 HG3 -0.00 0.02 0.03 -0.04 1.67 1.68 2cb3D1 ARG 220 HD2 -0.02 0.01 -0.02 -0.04 3.22 3.14 2cb3D1 ARG 220 HD3 -0.02 -0.02 0.00 -0.04 3.22 3.15 2cb3D1 LEU 221 H -0.11 0.58 -0.10 -0.55 8.37 8.19 2cb3D1 LEU 221 HA -0.12 0.01 0.39 -0.75 4.35 3.88 2cb3D1 LEU 221 HB2 -0.17 0.08 0.15 -0.04 1.64 1.66 2cb3D1 LEU 221 HB3 -0.16 -0.05 -0.04 -0.04 1.64 1.36 2cb3D1 LEU 221 HG -0.09 0.07 -0.00 -0.04 1.64 1.57 2cb3D1 LEU 221 HD13 -0.09 -0.02 -0.21 -0.04 0.93 0.57 2cb3D1 LEU 221 HD23 -0.11 -0.02 -0.00 -0.04 0.89 0.72 2cb3D1 ILE 222 H -0.29 0.63 -0.14 -0.55 8.25 7.91 2cb3D1 ILE 222 HA -0.39 -0.03 0.41 -0.75 4.18 3.42 2cb3D1 ILE 222 HB -0.67 0.13 0.13 -0.04 1.89 1.44 2cb3D1 ILE 222 HG12 -0.50 -0.10 -0.04 -0.04 1.49 0.80 2cb3D1 ILE 222 HG13 -0.51 0.24 0.09 -0.04 1.21 0.99 2cb3D1 ILE 222 HG23 -1.75 -0.01 -0.13 -0.04 0.93 -0.99 2cb3D1 ILE 222 HD13 -0.99 -0.03 -0.14 -0.04 0.88 -0.32 2cb3D1 ARG 223 H -0.10 0.58 -0.10 -0.55 8.46 8.29 2cb3D1 ARG 223 HA 0.26 0.04 0.49 -0.75 4.34 4.38 2cb3D1 ARG 223 HB2 0.29 0.21 0.16 -0.04 1.90 2.52 2cb3D1 ARG 223 HB3 0.09 0.00 0.13 -0.04 1.80 1.98 2cb3D1 ARG 223 HG2 0.14 -0.00 -0.02 -0.04 1.67 1.75 2cb3D1 ARG 223 HG3 0.12 -0.11 -0.13 -0.04 1.67 1.51 2cb3D1 ARG 223 HD2 0.45 -0.19 0.11 -0.04 3.22 3.54 2cb3D1 ARG 223 HD3 0.39 0.36 -0.11 -0.04 3.22 3.82 2cb3D1 ASP 224 H -0.05 0.60 -0.09 -0.55 8.40 8.31 2cb3D1 ASP 224 HA 0.01 0.05 0.52 -0.75 4.63 4.45 2cb3D1 ASP 224 HB2 -0.08 0.08 0.15 -0.04 2.71 2.82 2cb3D1 ASP 224 HB3 -0.06 -0.06 0.02 -0.04 2.70 2.57 2cb3D1 MET 225 H -0.14 0.55 -0.21 -0.55 8.47 8.12 2cb3D1 MET 225 HA -0.16 0.01 0.48 -0.75 4.52 4.10 2cb3D1 MET 225 HB2 -0.22 0.14 0.20 -0.04 2.15 2.23 2cb3D1 MET 225 HB3 -0.29 -0.11 0.02 -0.04 2.03 1.61 2cb3D1 MET 225 HG2 -0.21 -0.03 0.04 -0.04 2.63 2.38 2cb3D1 MET 225 HG3 -0.18 0.22 0.06 -0.04 2.56 2.62 2cb3D1 MET 225 HE3 -0.17 -0.01 -0.29 -0.04 2.10 1.59 2cb3D1 GLN 226 H -0.06 0.51 -0.21 -0.55 8.47 8.16 2cb3D1 GLN 226 HA 0.07 -0.07 0.42 -0.75 4.36 4.03 2cb3D1 GLN 226 HB2 0.31 0.04 0.15 -0.04 2.15 2.61 2cb3D1 GLN 226 HB3 0.27 0.18 0.17 -0.04 2.02 2.60 2cb3D1 GLN 226 HG2 0.17 0.00 -0.21 -0.04 2.40 2.32 2cb3D1 GLN 226 HG3 0.27 -0.19 0.06 -0.04 2.39 2.49 2cb3D1 GLN 226 HE21 0.03 0.33 0.16 -0.04 6.97 7.45 2cb3D1 GLN 226 HE22 0.20 -0.10 0.05 -0.04 7.69 7.79 2cb3D1 SER 227 H 0.06 0.47 -0.18 -0.55 8.46 8.27 2cb3D1 SER 227 HA 0.05 0.04 0.47 -0.75 4.49 4.30 2cb3D1 SER 227 HB2 0.05 0.11 0.18 -0.04 3.95 4.25 2cb3D1 SER 227 HB3 0.04 -0.04 -0.00 -0.04 3.93 3.89 2cb3D1 PHE 228 H 0.09 0.46 -0.28 -0.55 8.34 8.07 2cb3D1 PHE 228 HA -0.09 0.01 0.47 -0.75 4.62 4.26 2cb3D1 PHE 228 HB2 -0.12 0.09 0.13 -0.04 3.15 3.20 2cb3D1 PHE 228 HB3 -0.25 0.09 0.20 -0.04 3.06 3.07 2cb3D1 PHE 228 HD2 -0.06 0.00 -0.03 -0.04 7.28 7.15 2cb3D1 PHE 228 HE2 -0.03 0.00 -0.02 -0.04 7.38 7.29 2cb3D1 PHE 228 HZ -0.05 0.01 -0.02 -0.04 7.32 7.21 2cb3D1 HIS 229 H 0.01 0.64 -0.09 -0.55 8.41 8.42 2cb3D1 HIS 229 HA -0.44 0.03 0.43 -0.75 4.63 3.90 2cb3D1 HIS 229 HB2 0.11 0.08 0.04 -0.04 3.26 3.44 2cb3D1 HIS 229 HB3 0.29 0.07 -0.02 -0.04 3.20 3.50 2cb3D1 HIS 229 HD2 0.07 0.01 -0.08 -0.04 6.97 6.92 2cb3D1 HIS 229 HE1 -0.39 -0.06 0.03 -0.04 7.75 7.29 2cb3D1 ILE 230 H 0.05 0.44 -0.29 -0.55 8.25 7.90 2cb3D1 ILE 230 HA 0.06 0.24 0.46 -0.75 4.18 4.19 2cb3D1 ILE 230 HB 0.04 -0.03 0.10 -0.04 1.89 1.97 2cb3D1 ILE 230 HG12 0.11 0.07 -0.47 -0.04 1.49 1.15 2cb3D1 ILE 230 HG13 0.13 -0.02 -0.22 -0.04 1.21 1.06 2cb3D1 ILE 230 HG23 0.02 0.02 -0.20 -0.04 0.93 0.74 2cb3D1 ILE 230 HD13 0.08 -0.02 -0.15 -0.04 0.88 0.75 2cb3D1 GLU 231 H -0.06 0.59 0.08 -0.55 8.60 8.66 2cb3D1 GLU 231 HA -0.08 0.18 0.74 -0.75 4.29 4.38 2cb3D1 GLU 231 HB2 -0.05 0.12 0.14 -0.04 2.09 2.26 2cb3D1 GLU 231 HB3 -0.05 -0.04 0.05 -0.04 1.99 1.91 2cb3D1 GLU 231 HG2 -0.02 0.03 -0.05 -0.04 2.34 2.26 2cb3D1 GLU 231 HG3 -0.01 -0.04 0.02 -0.04 2.34 2.27 2cb3D1 SER 232 H -0.29 0.35 0.09 -0.55 8.46 8.07 2cb3D1 SER 232 HA -0.25 0.12 0.73 -0.75 4.49 4.34 2cb3D1 SER 232 HB2 -1.10 0.25 0.24 -0.04 3.95 3.30 2cb3D1 SER 232 HB3 -0.65 -0.06 0.07 -0.04 3.93 3.25 2cb3D1 ARG 233 H -0.56 0.18 -0.14 -0.55 8.46 7.39 2cb3D1 ARG 233 HA -0.61 0.16 0.85 -0.75 4.34 3.99 2cb3D1 ARG 233 HB2 -1.48 0.17 0.16 -0.04 1.90 0.71 2cb3D1 ARG 233 HB3 -2.39 -0.04 0.09 -0.04 1.80 -0.58 2cb3D1 ARG 233 HG2 -1.02 0.02 -0.14 -0.04 1.67 0.50 2cb3D1 ARG 233 HG3 -1.33 -0.07 -0.01 -0.04 1.67 0.22 2cb3D1 ARG 233 HD2 -0.61 -0.01 0.02 -0.04 3.22 2.58 2cb3D1 ARG 233 HD3 -0.56 0.12 -0.10 -0.04 3.22 2.64 2cb3D1 GLY 234 H -0.31 0.04 -0.46 -0.55 8.43 7.15 2cb3D1 GLY 234 HA2 -0.09 0.18 0.35 -0.51 4.01 3.94 2cb3D1 GLY 234 HA3 -0.10 -0.01 0.45 -0.51 4.01 3.85 2cb3D1 TRP 235 H -0.15 0.50 0.08 -0.55 7.97 7.85 2cb3D1 TRP 235 HA -0.04 0.13 0.69 -0.75 4.62 4.65 2cb3D1 TRP 235 HB2 -0.04 0.08 -0.02 -0.04 3.23 3.20 2cb3D1 TRP 235 HB3 -0.07 -0.17 0.13 -0.04 3.23 3.08 2cb3D1 TRP 235 HD1 -0.06 0.10 -0.32 -0.04 7.22 6.91 2cb3D1 TRP 235 HE1 -0.06 -0.01 -0.03 -0.04 10.20 10.06 2cb3D1 TRP 235 HE3 -0.38 -0.05 0.05 -0.04 7.59 7.17 2cb3D1 TRP 235 HZ2 -0.06 -0.03 0.01 -0.04 7.44 7.32 2cb3D1 TRP 235 HZ3 -0.67 -0.11 0.06 -0.04 7.13 6.37 2cb3D1 TRP 235 HH2 -0.09 -0.05 0.03 -0.04 7.19 7.03 2cb3D1 ASN 236 H 0.16 0.11 0.11 -0.55 8.53 8.36 2cb3D1 ASN 236 HA 0.09 0.16 0.66 -0.75 4.76 4.92 2cb3D1 ASN 236 HB2 0.04 0.02 0.04 -0.04 2.88 2.94 2cb3D1 ASN 236 HB3 0.03 0.04 0.00 -0.04 2.79 2.83 2cb3D1 ASN 236 HD21 0.02 0.48 -0.09 -0.04 7.03 7.40 2cb3D1 ASN 236 HD22 0.01 -0.01 -0.12 -0.04 7.74 7.58 2cb3D1 ASP 237 H 0.17 0.26 -0.08 -0.55 8.40 8.21 2cb3D1 ASP 237 HA 0.13 0.08 0.38 -0.75 4.63 4.47 2cb3D1 ASP 237 HB2 0.07 0.14 -0.28 -0.04 2.71 2.60 2cb3D1 ASP 237 HB3 0.07 0.05 -0.19 -0.04 2.70 2.60 2cb3D1 ILE 238 H 0.22 0.14 0.08 -0.55 8.25 8.15 2cb3D1 ILE 238 HA 0.36 0.02 0.40 -0.75 4.18 4.21 2cb3D1 ILE 238 HB 0.22 0.03 0.11 -0.04 1.89 2.21 2cb3D1 ILE 238 HG12 0.12 -0.17 -0.06 -0.04 1.49 1.34 2cb3D1 ILE 238 HG13 0.01 0.03 -0.11 -0.04 1.21 1.10 2cb3D1 ILE 238 HG23 0.20 0.03 -0.13 -0.04 0.93 0.99 2cb3D1 ILE 238 HD13 -0.21 0.03 -0.04 -0.04 0.88 0.61 2cb3D1 ALA 239 H 0.52 0.08 0.14 -0.55 8.40 8.60 2cb3D1 ALA 239 HA -0.13 0.13 0.35 -0.75 4.34 3.94 2cb3D1 ALA 239 HB3 -0.57 0.01 -0.04 -0.04 1.41 0.77 2cb3D1 TYR 240 H -0.26 0.03 -0.19 -0.55 8.29 7.32 2cb3D1 TYR 240 HA 0.08 0.10 0.69 -0.75 4.56 4.67 2cb3D1 TYR 240 HB2 -0.03 -0.01 -0.18 -0.04 3.06 2.80 2cb3D1 TYR 240 HB3 -0.07 0.14 0.04 -0.04 2.98 3.05 2cb3D1 TYR 240 HD2 -0.00 0.01 -0.16 -0.04 7.15 6.95 2cb3D1 TYR 240 HE2 0.09 0.03 -0.08 -0.04 6.85 6.85 2cb3D1 ASN 241 H 0.02 0.43 0.39 -0.55 8.53 8.83 2cb3D1 ASN 241 HA -0.22 -0.00 0.75 -0.75 4.76 4.53 2cb3D1 ASN 241 HB2 -0.02 0.03 0.16 -0.04 2.88 3.01 2cb3D1 ASN 241 HB3 -0.29 0.10 0.01 -0.04 2.79 2.57 2cb3D1 ASN 241 HD21 0.04 0.38 0.15 -0.04 7.03 7.56 2cb3D1 ASN 241 HD22 -0.10 0.17 0.11 -0.04 7.74 7.88 2cb3D1 PHE 242 H -0.00 0.50 0.29 -0.55 8.34 8.58 2cb3D1 PHE 242 HA -0.07 0.18 0.75 -0.75 4.62 4.72 2cb3D1 PHE 242 HB2 -0.25 -0.04 -0.06 -0.04 3.15 2.76 2cb3D1 PHE 242 HB3 -0.20 0.05 0.02 -0.04 3.06 2.89 2cb3D1 PHE 242 HD2 -0.33 0.02 -0.23 -0.04 7.28 6.70 2cb3D1 PHE 242 HE2 -0.79 0.04 -0.18 -0.04 7.38 6.42 2cb3D1 PHE 242 HZ -2.40 -0.06 -0.06 -0.04 7.32 4.76 2cb3D1 LEU 243 H 0.11 0.64 0.30 -0.55 8.37 8.87 2cb3D1 LEU 243 HA -0.17 0.24 1.01 -0.75 4.35 4.67 2cb3D1 LEU 243 HB2 -0.07 -0.01 -0.02 -0.04 1.64 1.50 2cb3D1 LEU 243 HB3 -0.15 -0.03 -0.00 -0.04 1.64 1.42 2cb3D1 LEU 243 HG -0.18 0.04 -0.17 -0.04 1.64 1.29 2cb3D1 LEU 243 HD13 -0.01 -0.03 -0.39 -0.04 0.93 0.47 2cb3D1 LEU 243 HD23 -0.10 -0.01 -0.11 -0.04 0.89 0.62 2cb3D1 VAL 244 H -0.20 0.57 0.30 -0.55 8.24 8.35 2cb3D1 VAL 244 HA -0.00 0.36 1.15 -0.75 4.13 4.88 2cb3D1 VAL 244 HB -0.73 -0.12 0.06 -0.04 2.12 1.29 2cb3D1 VAL 244 HG13 -0.05 0.06 -0.12 -0.04 0.97 0.83 2cb3D1 VAL 244 HG23 -0.50 0.02 -0.27 -0.04 0.95 0.15 2cb3D1 GLY 245 H 0.21 0.63 0.27 -0.55 8.43 8.99 2cb3D1 GLY 245 HA2 0.09 0.13 0.83 -0.51 4.01 4.56 2cb3D1 GLY 245 HA3 0.19 0.01 0.40 -0.51 4.01 4.10 2cb3D1 CYS 246 H 0.12 0.25 0.32 -0.55 8.50 8.64 2cb3D1 CYS 246 HA 0.13 0.04 0.61 -0.75 4.58 4.61 2cb3D1 CYS 246 HB2 0.12 0.04 0.09 -0.04 2.97 3.17 2cb3D1 CYS 246 HB3 0.10 -0.00 0.08 -0.04 2.97 3.11 2cb3D1 ASP 247 H 0.12 -0.03 -0.54 -0.55 8.40 7.40 2cb3D1 ASP 247 HA 0.07 0.19 0.72 -0.75 4.63 4.85 2cb3D1 ASP 247 HB2 0.08 0.08 0.05 -0.04 2.71 2.88 2cb3D1 ASP 247 HB3 0.08 -0.10 -0.44 -0.04 2.70 2.20 2cb3D1 GLY 248 H 0.09 0.32 -0.37 -0.55 8.43 7.93 2cb3D1 GLY 248 HA2 0.06 -0.03 0.01 -0.51 4.01 3.54 2cb3D1 GLY 248 HA3 0.04 0.15 0.51 -0.51 4.01 4.20 2cb3D1 ASN 249 H 0.08 -0.12 -0.15 -0.55 8.53 7.80 2cb3D1 ASN 249 HA -0.07 0.31 0.95 -0.75 4.76 5.20 2cb3D1 ASN 249 HB2 -0.08 -0.18 -0.03 -0.04 2.88 2.55 2cb3D1 ASN 249 HB3 -0.51 0.16 -0.05 -0.04 2.79 2.35 2cb3D1 ASN 249 HD21 0.01 0.05 -0.07 -0.04 7.03 6.98 2cb3D1 ASN 249 HD22 0.07 -0.15 -0.09 -0.04 7.74 7.52 2cb3D1 ILE 250 H -0.14 0.28 0.19 -0.55 8.25 8.03 2cb3D1 ILE 250 HA -0.02 0.21 0.90 -0.75 4.18 4.52 2cb3D1 ILE 250 HB -0.07 -0.02 0.06 -0.04 1.89 1.82 2cb3D1 ILE 250 HG12 -0.06 -0.03 -0.11 -0.04 1.49 1.25 2cb3D1 ILE 250 HG13 -0.09 0.05 -0.09 -0.04 1.21 1.05 2cb3D1 ILE 250 HG23 -0.10 0.01 -0.15 -0.04 0.93 0.65 2cb3D1 ILE 250 HD13 -0.09 0.00 -0.29 -0.04 0.88 0.46 2cb3D1 TYR 251 H 0.20 0.76 0.36 -0.55 8.29 9.06 2cb3D1 TYR 251 HA 0.12 0.24 1.03 -0.75 4.56 5.20 2cb3D1 TYR 251 HB2 -0.07 -0.11 0.01 -0.04 3.06 2.85 2cb3D1 TYR 251 HB3 -0.02 0.14 -0.06 -0.04 2.98 3.00 2cb3D1 TYR 251 HD2 0.06 0.10 -0.19 -0.04 7.15 7.07 2cb3D1 TYR 251 HE2 0.04 -0.08 -0.10 -0.04 6.85 6.67 2cb3D1 GLU 252 H 0.33 0.74 0.20 -0.55 8.60 9.32 2cb3D1 GLU 252 HA 0.04 0.04 0.62 -0.75 4.29 4.24 2cb3D1 GLU 252 HB2 0.16 0.02 -0.04 -0.04 2.09 2.18 2cb3D1 GLU 252 HB3 0.21 -0.13 0.14 -0.04 1.99 2.17 2cb3D1 GLU 252 HG2 -0.02 0.28 -0.36 -0.04 2.34 2.21 2cb3D1 GLU 252 HG3 -0.18 -0.06 -0.05 -0.04 2.34 2.01 2cb3D1 GLY 253 H -0.40 0.47 0.18 -0.55 8.43 8.13 2cb3D1 GLY 253 HA2 0.27 0.10 0.70 -0.51 4.01 4.57 2cb3D1 GLY 253 HA3 -0.00 0.05 0.06 -0.51 4.01 3.61 2cb3D1 ARG 254 H -0.11 0.42 0.40 -0.55 8.46 8.62 2cb3D1 ARG 254 HA -0.01 0.10 0.61 -0.75 4.34 4.28 2cb3D1 ARG 254 HB2 -0.06 0.00 -0.01 -0.04 1.90 1.78 2cb3D1 ARG 254 HB3 -0.03 -0.02 -0.01 -0.04 1.80 1.70 2cb3D1 ARG 254 HG2 0.04 -0.08 -0.09 -0.04 1.67 1.50 2cb3D1 ARG 254 HG3 0.02 0.14 -0.17 -0.04 1.67 1.62 2cb3D1 ARG 254 HD2 -0.02 -0.10 -0.16 -0.04 3.22 2.90 2cb3D1 ARG 254 HD3 -0.01 0.03 -0.11 -0.04 3.22 3.09 2cb3D1 GLY 255 H -0.57 0.24 0.11 -0.55 8.43 7.67 2cb3D1 GLY 255 HA2 -0.76 -0.01 0.32 -0.51 4.01 3.04 2cb3D1 GLY 255 HA3 -0.18 0.16 0.70 -0.51 4.01 4.18 2cb3D1 TRP 256 H 0.10 0.13 0.13 -0.55 7.97 7.79 2cb3D1 TRP 256 HA 0.13 0.07 0.37 -0.75 4.62 4.44 2cb3D1 TRP 256 HB2 -0.28 0.00 0.05 -0.04 3.23 2.96 2cb3D1 TRP 256 HB3 -0.60 0.07 0.02 -0.04 3.23 2.69 2cb3D1 TRP 256 HD1 0.05 -0.00 0.04 -0.04 7.22 7.27 2cb3D1 TRP 256 HE1 0.07 0.01 -0.02 -0.04 10.20 10.22 2cb3D1 TRP 256 HE3 0.01 0.05 -0.03 -0.04 7.59 7.58 2cb3D1 TRP 256 HZ2 -0.22 -0.01 -0.06 -0.04 7.44 7.10 2cb3D1 TRP 256 HZ3 -0.08 0.01 -0.06 -0.04 7.13 6.96 2cb3D1 TRP 256 HH2 -0.22 0.20 -0.02 -0.04 7.19 7.11 2cb3D1 LYS 257 H 0.11 0.04 -0.19 -0.55 8.42 7.82 2cb3D1 LYS 257 HA 0.12 0.36 1.02 -0.75 4.32 5.05 2cb3D1 LYS 257 HB2 0.08 -0.02 0.04 -0.04 1.87 1.93 2cb3D1 LYS 257 HB3 0.08 0.04 0.18 -0.04 1.79 2.04 2cb3D1 LYS 257 HG2 0.13 0.13 -0.15 -0.04 1.46 1.52 2cb3D1 LYS 257 HG3 0.12 -0.15 -0.13 -0.04 1.46 1.26 2cb3D1 LYS 257 HD2 0.09 0.04 0.00 -0.04 1.69 1.78 2cb3D1 LYS 257 HD3 0.13 0.01 -0.03 -0.04 1.68 1.75 2cb3D1 LYS 257 HE2 0.10 -0.05 -0.01 -0.04 2.99 2.99 2cb3D1 LYS 257 HE3 0.07 0.02 -0.01 -0.04 2.99 3.03 2cb3D1 THR 258 H 0.02 0.26 -0.30 -0.55 8.28 7.71 2cb3D1 THR 258 HA 0.02 0.22 1.16 -0.75 4.39 5.04 2cb3D1 THR 258 HB -0.02 -0.00 -0.06 -0.04 4.32 4.20 2cb3D1 THR 258 HG23 -0.01 0.06 -0.07 -0.04 1.22 1.17 2cb3D1 VAL 259 H 0.00 0.74 0.26 -0.55 8.24 8.68 2cb3D1 VAL 259 HA 0.01 0.10 0.50 -0.75 4.13 3.97 2cb3D1 VAL 259 HB -0.04 -0.07 0.13 -0.04 2.12 2.10 2cb3D1 VAL 259 HG13 -0.08 0.06 -0.19 -0.04 0.97 0.73 2cb3D1 VAL 259 HG23 -0.00 0.02 -0.18 -0.04 0.95 0.74 2cb3D1 GLY 260 H -0.03 0.15 0.26 -0.55 8.43 8.27 2cb3D1 GLY 260 HA2 -0.06 0.23 0.64 -0.51 4.01 4.32 2cb3D1 GLY 260 HA3 0.01 -0.08 0.43 -0.51 4.01 3.86 2cb3D1 ALA 261 H -0.23 0.57 0.19 -0.55 8.40 8.39 2cb3D1 ALA 261 HA -0.50 0.10 0.65 -0.75 4.34 3.84 2cb3D1 ALA 261 HB3 -0.70 0.03 0.06 -0.04 1.41 0.75 2cb3D1 HIS 262 H -0.93 0.06 -0.07 -0.55 8.41 6.92 2cb3D1 HIS 262 HA -0.24 0.25 0.87 -0.75 4.63 4.75 2cb3D1 HIS 262 HB2 -0.02 -0.00 -0.14 -0.04 3.26 3.06 2cb3D1 HIS 262 HB3 -0.07 0.00 -0.25 -0.04 3.20 2.83 2cb3D1 HIS 262 HD2 -0.03 0.20 0.17 -0.04 6.97 7.27 2cb3D1 HIS 262 HE1 0.03 0.10 -0.34 -0.04 7.75 7.49 2cb3D1 THR 263 H -0.50 0.06 -0.11 -0.55 8.28 7.18 2cb3D1 THR 263 HA 0.04 0.24 0.85 -0.75 4.39 4.77 2cb3D1 THR 263 HB 0.12 -0.09 -0.05 -0.04 4.32 4.25 2cb3D1 THR 263 HG23 0.05 0.07 -0.19 -0.04 1.22 1.11 2cb3D1 LEU 264 H 0.02 0.22 -0.05 -0.55 8.37 8.02 2cb3D1 LEU 264 HA -0.08 -0.02 0.35 -0.75 4.35 3.84 2cb3D1 LEU 264 HB2 -0.00 0.02 0.08 -0.04 1.64 1.69 2cb3D1 LEU 264 HB3 0.03 0.06 0.08 -0.04 1.64 1.77 2cb3D1 LEU 264 HG -0.01 0.04 -0.10 -0.04 1.64 1.54 2cb3D1 LEU 264 HD13 -0.07 -0.01 0.01 -0.04 0.93 0.81 2cb3D1 LEU 264 HD23 0.01 0.01 -0.01 -0.04 0.89 0.86 2cb3D1 GLY 265 H -0.05 0.07 0.20 -0.55 8.43 8.11 2cb3D1 GLY 265 HA2 -0.07 0.02 0.37 -0.51 4.01 3.82 2cb3D1 GLY 265 HA3 0.03 0.26 0.72 -0.51 4.01 4.52 2cb3D1 TYR 266 H 0.13 0.60 -0.12 -0.55 8.29 8.34 2cb3D1 TYR 266 HA -0.09 0.27 0.96 -0.75 4.56 4.94 2cb3D1 TYR 266 HB2 -0.02 0.00 -0.14 -0.04 3.06 2.86 2cb3D1 TYR 266 HB3 -0.04 -0.05 -0.08 -0.04 2.98 2.77 2cb3D1 TYR 266 HD2 -0.28 -0.02 -0.28 -0.04 7.15 6.54 2cb3D1 TYR 266 HE2 -0.45 0.05 -0.08 -0.04 6.85 6.34 2cb3D1 ASN 267 H -0.08 0.13 0.07 -0.55 8.53 8.11 2cb3D1 ASN 267 HA -0.15 -0.00 0.29 -0.75 4.76 4.14 2cb3D1 ASN 267 HB2 -0.17 -0.01 0.04 -0.04 2.88 2.70 2cb3D1 ASN 267 HB3 -0.21 0.23 0.02 -0.04 2.79 2.78 2cb3D1 ASN 267 HD21 -0.36 -0.09 -0.31 -0.04 7.03 6.23 2cb3D1 ASN 267 HD22 -0.25 0.08 -0.05 -0.04 7.74 7.47 2cb3D1 ARG 268 H -0.05 0.04 -0.40 -0.55 8.46 7.50 2cb3D1 ARG 268 HA -0.00 0.20 0.74 -0.75 4.34 4.52 2cb3D1 ARG 268 HB2 -0.05 -0.01 -0.01 -0.04 1.90 1.79 2cb3D1 ARG 268 HB3 -0.02 0.05 0.10 -0.04 1.80 1.89 2cb3D1 ARG 268 HG2 -0.05 0.01 -0.10 -0.04 1.67 1.50 2cb3D1 ARG 268 HG3 -0.05 -0.05 -0.04 -0.04 1.67 1.49 2cb3D1 ARG 268 HD2 -0.02 0.01 0.02 -0.04 3.22 3.19 2cb3D1 ARG 268 HD3 -0.02 0.07 0.02 -0.04 3.22 3.25 2cb3D1 ILE 269 H 0.03 0.37 -0.22 -0.55 8.25 7.88 2cb3D1 ILE 269 HA 0.09 0.28 0.99 -0.75 4.18 4.78 2cb3D1 ILE 269 HB 0.17 -0.05 0.23 -0.04 1.89 2.20 2cb3D1 ILE 269 HG12 -0.09 -0.09 0.03 -0.04 1.49 1.31 2cb3D1 ILE 269 HG13 0.02 -0.00 -0.10 -0.04 1.21 1.09 2cb3D1 ILE 269 HG23 -0.00 -0.01 -0.15 -0.04 0.93 0.73 2cb3D1 ILE 269 HD13 -0.38 0.01 0.02 -0.04 0.88 0.49 2cb3D1 SER 270 H 0.13 0.31 -0.08 -0.55 8.46 8.28 2cb3D1 SER 270 HA 0.21 0.22 0.76 -0.75 4.49 4.92 2cb3D1 SER 270 HB2 0.24 -0.07 -0.21 -0.04 3.95 3.87 2cb3D1 SER 270 HB3 0.29 0.02 -0.37 -0.04 3.93 3.83 2cb3D1 LEU 271 H 0.15 0.43 0.32 -0.55 8.37 8.72 2cb3D1 LEU 271 HA 0.14 0.19 0.87 -0.75 4.35 4.79 2cb3D1 LEU 271 HB2 0.11 0.01 0.14 -0.04 1.64 1.86 2cb3D1 LEU 271 HB3 0.10 -0.07 -0.07 -0.04 1.64 1.56 2cb3D1 LEU 271 HG 0.20 0.05 -0.15 -0.04 1.64 1.69 2cb3D1 LEU 271 HD13 0.35 -0.01 -0.09 -0.04 0.93 1.15 2cb3D1 LEU 271 HD23 0.17 0.06 0.03 -0.04 0.89 1.11 2cb3D1 GLY 272 H -0.08 0.16 0.19 -0.55 8.43 8.16 2cb3D1 GLY 272 HA2 -0.40 0.30 0.90 -0.51 4.01 4.30 2cb3D1 GLY 272 HA3 -1.25 -0.06 0.33 -0.51 4.01 2.52 2cb3D1 ILE 273 H -0.11 0.82 0.33 -0.55 8.25 8.73 2cb3D1 ILE 273 HA -0.08 0.22 0.95 -0.75 4.18 4.52 2cb3D1 ILE 273 HB -0.05 0.05 0.10 -0.04 1.89 1.95 2cb3D1 ILE 273 HG12 -0.03 -0.03 -0.21 -0.04 1.49 1.18 2cb3D1 ILE 273 HG13 -0.03 -0.00 -0.32 -0.04 1.21 0.82 2cb3D1 ILE 273 HG23 -0.23 -0.02 -0.27 -0.04 0.93 0.37 2cb3D1 ILE 273 HD13 -0.05 0.02 -0.15 -0.04 0.88 0.66 2cb3D1 SER 274 H -0.27 0.58 0.30 -0.55 8.46 8.52 2cb3D1 SER 274 HA -0.13 0.35 1.10 -0.75 4.49 5.06 2cb3D1 SER 274 HB2 -0.87 -0.01 -0.26 -0.04 3.95 2.77 2cb3D1 SER 274 HB3 -1.25 -0.01 -0.01 -0.04 3.93 2.62 2cb3D1 PHE 275 H 0.28 0.65 0.40 -0.55 8.34 9.12 2cb3D1 PHE 275 HA -0.01 0.12 0.78 -0.75 4.62 4.75 2cb3D1 PHE 275 HB2 0.03 -0.01 0.19 -0.04 3.15 3.32 2cb3D1 PHE 275 HB3 -0.08 -0.02 -0.04 -0.04 3.06 2.88 2cb3D1 PHE 275 HD2 -0.10 0.05 -0.00 -0.04 7.28 7.18 2cb3D1 PHE 275 HE2 -0.03 0.03 -0.26 -0.04 7.38 7.07 2cb3D1 PHE 275 HZ 0.21 0.05 -0.08 -0.04 7.32 7.46 2cb3D1 ILE 276 H 0.13 0.68 0.33 -0.55 8.25 8.84 2cb3D1 ILE 276 HA 0.01 0.02 0.60 -0.75 4.18 4.06 2cb3D1 ILE 276 HB 0.02 -0.14 0.27 -0.04 1.89 2.01 2cb3D1 ILE 276 HG12 -0.14 0.05 -0.07 -0.04 1.49 1.29 2cb3D1 ILE 276 HG13 -0.09 0.03 -0.06 -0.04 1.21 1.05 2cb3D1 ILE 276 HG23 -0.08 0.03 -0.06 -0.04 0.93 0.78 2cb3D1 ILE 276 HD13 -0.28 -0.01 -0.09 -0.04 0.88 0.46 2cb3D1 GLY 277 H -0.03 0.10 0.33 -0.55 8.43 8.29 2cb3D1 GLY 277 HA2 -0.23 0.27 -0.21 -0.51 4.01 3.33 2cb3D1 GLY 277 HA3 -0.42 0.07 0.49 -0.51 4.01 3.63 2cb3D1 CYS 278 H -0.74 0.25 0.03 -0.55 8.50 7.49 2cb3D1 CYS 278 HA -0.43 0.04 0.84 -0.75 4.58 4.28 2cb3D1 CYS 278 HB2 -0.28 0.14 -0.16 -0.04 2.97 2.63 2cb3D1 CYS 278 HB3 -0.24 0.01 0.16 -0.04 2.97 2.86 2cb3D1 PHE 279 H 0.43 0.23 -0.05 -0.55 8.34 8.39 2cb3D1 PHE 279 HA 0.03 0.17 0.92 -0.75 4.62 4.98 2cb3D1 PHE 279 HB2 -0.00 0.17 0.21 -0.04 3.15 3.48 2cb3D1 PHE 279 HB3 -0.04 0.27 0.16 -0.04 3.06 3.41 2cb3D1 PHE 279 HD2 0.06 0.09 -0.36 -0.04 7.28 7.03 2cb3D1 PHE 279 HE2 0.07 0.04 -0.42 -0.04 7.38 7.03 2cb3D1 PHE 279 HZ 0.07 0.15 -0.26 -0.04 7.32 7.24 2cb3D1 MET 280 H 0.05 0.24 -0.22 -0.55 8.47 7.99 2cb3D1 MET 280 HA 0.05 -0.21 0.60 -0.75 4.52 4.21 2cb3D1 MET 280 HB2 0.02 0.06 0.08 -0.04 2.15 2.27 2cb3D1 MET 280 HB3 0.03 0.09 0.09 -0.04 2.03 2.21 2cb3D1 MET 280 HG2 0.07 -0.07 0.05 -0.04 2.63 2.64 2cb3D1 MET 280 HG3 0.13 -0.08 -0.03 -0.04 2.56 2.54 2cb3D1 MET 280 HE3 0.00 0.01 -0.00 -0.04 2.10 2.07 2cb3D1 LYS 281 H 0.03 -0.05 -0.02 -0.55 8.42 7.83 2cb3D1 LYS 281 HA 0.02 0.25 0.96 -0.75 4.32 4.79 2cb3D1 LYS 281 HB2 0.01 -0.06 0.08 -0.04 1.87 1.86 2cb3D1 LYS 281 HB3 0.01 0.06 -0.01 -0.04 1.79 1.81 2cb3D1 LYS 281 HG2 0.01 0.10 -0.07 -0.04 1.46 1.46 2cb3D1 LYS 281 HG3 0.01 -0.14 -0.25 -0.04 1.46 1.04 2cb3D1 LYS 281 HD2 -0.00 -0.02 -0.02 -0.04 1.69 1.61 2cb3D1 LYS 281 HD3 0.00 0.04 -0.02 -0.04 1.68 1.66 2cb3D1 LYS 281 HE2 0.00 0.04 -0.03 -0.04 2.99 2.96 2cb3D1 LYS 281 HE3 0.00 -0.04 -0.04 -0.04 2.99 2.88 2cb3D1 GLU 282 H 0.05 -0.09 0.10 -0.55 8.60 8.12 2cb3D1 GLU 282 HA 0.05 0.21 0.66 -0.75 4.29 4.45 2cb3D1 GLU 282 HB2 0.03 -0.05 0.09 -0.04 2.09 2.12 2cb3D1 GLU 282 HB3 0.12 0.01 -0.06 -0.04 1.99 2.02 2cb3D1 GLU 282 HG2 0.06 -0.00 0.02 -0.04 2.34 2.38 2cb3D1 GLU 282 HG3 0.07 -0.05 0.14 -0.04 2.34 2.46 2cb3D1 LEU 283 H 0.08 0.17 0.13 -0.55 8.37 8.20 2cb3D1 LEU 283 HA -0.01 0.17 0.74 -0.75 4.35 4.49 2cb3D1 LEU 283 HB2 -0.01 -0.01 -0.09 -0.04 1.64 1.49 2cb3D1 LEU 283 HB3 -0.01 0.02 -0.01 -0.04 1.64 1.59 2cb3D1 LEU 283 HG -0.13 0.05 -0.01 -0.04 1.64 1.51 2cb3D1 LEU 283 HD13 -0.13 -0.00 -0.12 -0.04 0.93 0.64 2cb3D1 LEU 283 HD23 -0.02 -0.01 -0.05 -0.04 0.89 0.77 2cb3D1 PRO 284 HA -0.04 -0.00 0.41 -0.51 4.44 4.30 2cb3D1 PRO 284 HB2 -0.34 0.08 -0.07 -0.04 2.28 1.91 2cb3D1 PRO 284 HB3 -0.32 -0.04 0.02 -0.04 2.02 1.64 2cb3D1 PRO 284 HG2 -1.53 0.09 -0.00 -0.04 2.03 0.55 2cb3D1 PRO 284 HG3 -2.60 -0.01 -0.05 -0.04 2.03 -0.67 2cb3D1 PRO 284 HD2 -0.49 0.16 0.12 -0.04 3.68 3.43 2cb3D1 PRO 284 HD3 -0.63 0.14 0.15 -0.04 3.65 3.27 2cb3D1 THR 285 H 0.06 0.03 0.16 -0.55 8.28 7.98 2cb3D1 THR 285 HA 0.04 0.17 0.43 -0.75 4.39 4.27 2cb3D1 THR 285 HB 0.05 -0.04 0.16 -0.04 4.32 4.45 2cb3D1 THR 285 HG23 0.07 0.04 0.13 -0.04 1.22 1.43 2cb3D1 ALA 286 H 0.03 0.19 0.17 -0.55 8.40 8.25 2cb3D1 ALA 286 HA 0.04 0.16 0.38 -0.75 4.34 4.16 2cb3D1 ALA 286 HB3 0.02 0.04 0.10 -0.04 1.41 1.53 2cb3D1 ASP 287 H 0.04 0.09 -0.15 -0.55 8.40 7.83 2cb3D1 ASP 287 HA 0.03 0.12 0.39 -0.75 4.63 4.41 2cb3D1 ASP 287 HB2 0.05 -0.04 -0.02 -0.04 2.71 2.66 2cb3D1 ASP 287 HB3 0.03 0.10 -0.01 -0.04 2.70 2.79 2cb3D1 ALA 288 H 0.08 0.05 -0.34 -0.55 8.40 7.65 2cb3D1 ALA 288 HA 0.12 0.07 0.32 -0.75 4.34 4.09 2cb3D1 ALA 288 HB3 0.20 0.02 -0.01 -0.04 1.41 1.57 2cb3D1 LEU 289 H 0.14 0.45 -0.28 -0.55 8.37 8.13 2cb3D1 LEU 289 HA 0.50 0.03 0.36 -0.75 4.35 4.48 2cb3D1 LEU 289 HB2 0.13 0.09 0.08 -0.04 1.64 1.90 2cb3D1 LEU 289 HB3 0.37 0.02 -0.03 -0.04 1.64 1.96 2cb3D1 LEU 289 HG -0.00 0.08 -0.16 -0.04 1.64 1.52 2cb3D1 LEU 289 HD13 0.06 -0.01 -0.09 -0.04 0.93 0.85 2cb3D1 LEU 289 HD23 -0.14 -0.01 -0.06 -0.04 0.89 0.64 2cb3D1 ASN 290 H 0.07 0.56 -0.14 -0.55 8.53 8.47 2cb3D1 ASN 290 HA -0.08 0.06 0.48 -0.75 4.76 4.47 2cb3D1 ASN 290 HB2 0.01 0.03 0.15 -0.04 2.88 3.04 2cb3D1 ASN 290 HB3 -0.03 -0.03 0.00 -0.04 2.79 2.70 2cb3D1 ASN 290 HD21 -0.00 -0.05 -0.08 -0.04 7.03 6.86 2cb3D1 ASN 290 HD22 0.01 -0.09 -0.18 -0.04 7.74 7.44 2cb3D1 MET 291 H 0.05 0.73 -0.06 -0.55 8.47 8.63 2cb3D1 MET 291 HA -0.01 0.02 0.40 -0.75 4.52 4.17 2cb3D1 MET 291 HB2 0.03 0.06 0.06 -0.04 2.15 2.26 2cb3D1 MET 291 HB3 -0.01 -0.08 -0.16 -0.04 2.03 1.74 2cb3D1 MET 291 HG2 0.01 -0.04 0.07 -0.04 2.63 2.63 2cb3D1 MET 291 HG3 0.00 0.56 0.08 -0.04 2.56 3.16 2cb3D1 MET 291 HE3 -0.01 -0.02 -0.03 -0.04 2.10 2.01 2cb3D1 CYS 292 H 0.11 0.43 -0.41 -0.55 8.50 8.09 2cb3D1 CYS 292 HA -0.03 -0.00 0.35 -0.75 4.58 4.15 2cb3D1 CYS 292 HB2 0.13 0.03 0.04 -0.04 2.97 3.12 2cb3D1 CYS 292 HB3 0.52 0.17 0.08 -0.04 2.97 3.70 2cb3D1 ARG 293 H -0.06 0.44 -0.18 -0.55 8.46 8.10 2cb3D1 ARG 293 HA -0.14 0.05 0.41 -0.75 4.34 3.90 2cb3D1 ARG 293 HB2 -0.25 0.12 0.21 -0.04 1.90 1.94 2cb3D1 ARG 293 HB3 -0.25 -0.03 -0.00 -0.04 1.80 1.47 2cb3D1 ARG 293 HG2 -0.91 0.01 0.04 -0.04 1.67 0.77 2cb3D1 ARG 293 HG3 -1.46 0.01 0.05 -0.04 1.67 0.24 2cb3D1 ARG 293 HD2 -0.68 0.01 -0.07 -0.04 3.22 2.43 2cb3D1 ARG 293 HD3 -0.41 -0.03 0.02 -0.04 3.22 2.75 2cb3D1 ASN 294 H -0.05 0.56 -0.17 -0.55 8.53 8.32 2cb3D1 ASN 294 HA -0.03 0.01 0.40 -0.75 4.76 4.39 2cb3D1 ASN 294 HB2 -0.02 0.12 0.13 -0.04 2.88 3.07 2cb3D1 ASN 294 HB3 -0.02 -0.05 0.01 -0.04 2.79 2.69 2cb3D1 ASN 294 HD21 -0.04 -0.03 -0.02 -0.04 7.03 6.89 2cb3D1 ASN 294 HD22 -0.04 -0.04 -0.02 -0.04 7.74 7.60 2cb3D1 LEU 295 H -0.03 0.51 -0.33 -0.55 8.37 7.98 2cb3D1 LEU 295 HA 0.03 -0.02 0.34 -0.75 4.35 3.95 2cb3D1 LEU 295 HB2 -0.11 0.01 0.06 -0.04 1.64 1.56 2cb3D1 LEU 295 HB3 -0.08 0.20 0.11 -0.04 1.64 1.84 2cb3D1 LEU 295 HG -0.21 0.01 -0.26 -0.04 1.64 1.14 2cb3D1 LEU 295 HD13 -0.40 -0.02 -0.03 -0.04 0.93 0.44 2cb3D1 LEU 295 HD23 -0.52 -0.02 -0.13 -0.04 0.89 0.18 2cb3D1 LEU 296 H 0.00 0.46 -0.24 -0.55 8.37 8.04 2cb3D1 LEU 296 HA -0.03 0.01 0.38 -0.75 4.35 3.95 2cb3D1 LEU 296 HB2 0.02 0.13 0.15 -0.04 1.64 1.91 2cb3D1 LEU 296 HB3 -0.08 0.01 -0.04 -0.04 1.64 1.49 2cb3D1 LEU 296 HG 0.08 0.18 0.01 -0.04 1.64 1.86 2cb3D1 LEU 296 HD13 0.32 -0.01 -0.08 -0.04 0.93 1.12 2cb3D1 LEU 296 HD23 -0.07 -0.02 -0.10 -0.04 0.89 0.66 2cb3D1 ALA 297 H -0.01 0.56 -0.08 -0.55 8.40 8.33 2cb3D1 ALA 297 HA 0.01 0.04 0.38 -0.75 4.34 4.02 2cb3D1 ALA 297 HB3 -0.01 0.02 0.11 -0.04 1.41 1.49 2cb3D1 ARG 298 H 0.01 0.69 -0.15 -0.55 8.46 8.46 2cb3D1 ARG 298 HA -0.05 -0.01 0.42 -0.75 4.34 3.94 2cb3D1 ARG 298 HB2 0.02 -0.02 0.08 -0.04 1.90 1.94 2cb3D1 ARG 298 HB3 0.09 0.10 0.14 -0.04 1.80 2.10 2cb3D1 ARG 298 HG2 0.09 -0.02 -0.02 -0.04 1.67 1.68 2cb3D1 ARG 298 HG3 -0.03 -0.00 -0.24 -0.04 1.67 1.36 2cb3D1 ARG 298 HD2 -0.06 0.00 0.00 -0.04 3.22 3.13 2cb3D1 ARG 298 HD3 -0.11 -0.08 0.13 -0.04 3.22 3.11 2cb3D1 GLY 299 H 0.06 0.55 -0.29 -0.55 8.43 8.20 2cb3D1 GLY 299 HA2 -0.60 -0.03 0.39 -0.51 4.01 3.26 2cb3D1 GLY 299 HA3 0.06 0.07 0.28 -0.51 4.01 3.92 2cb3D1 VAL 300 H -0.06 0.46 -0.23 -0.55 8.24 7.86 2cb3D1 VAL 300 HA -0.04 0.27 0.55 -0.75 4.13 4.16 2cb3D1 VAL 300 HB 0.00 0.07 0.16 -0.04 2.12 2.31 2cb3D1 VAL 300 HG13 0.04 -0.01 -0.12 -0.04 0.97 0.83 2cb3D1 VAL 300 HG23 0.04 0.08 -0.09 -0.04 0.95 0.94 2cb3D1 GLU 301 H -0.07 0.59 0.03 -0.55 8.60 8.60 2cb3D1 GLU 301 HA -0.06 0.00 0.38 -0.75 4.29 3.86 2cb3D1 GLU 301 HB2 -0.10 0.10 0.16 -0.04 2.09 2.22 2cb3D1 GLU 301 HB3 -0.07 -0.06 0.03 -0.04 1.99 1.84 2cb3D1 GLU 301 HG2 -0.03 -0.06 0.04 -0.04 2.34 2.25 2cb3D1 GLU 301 HG3 -0.04 0.32 0.08 -0.04 2.34 2.66 2cb3D1 ASP 302 H -0.23 0.43 -0.26 -0.55 8.40 7.78 2cb3D1 ASP 302 HA -0.24 0.10 0.60 -0.75 4.63 4.34 2cb3D1 ASP 302 HB2 -0.54 0.02 0.06 -0.04 2.71 2.21 2cb3D1 ASP 302 HB3 -0.57 -0.05 0.11 -0.04 2.70 2.16 2cb3D1 GLY 303 H -0.20 0.42 -0.51 -0.55 8.43 7.59 2cb3D1 GLY 303 HA2 -0.12 0.07 0.26 -0.51 4.01 3.71 2cb3D1 GLY 303 HA3 -0.19 0.05 0.45 -0.51 4.01 3.80 2cb3D1 HIS 304 H -0.29 0.41 -0.02 -0.55 8.41 7.96 2cb3D1 HIS 304 HA -0.04 0.12 0.68 -0.75 4.63 4.63 2cb3D1 HIS 304 HB2 -0.41 0.01 0.12 -0.04 3.26 2.95 2cb3D1 HIS 304 HB3 0.13 -0.02 0.03 -0.04 3.20 3.30 2cb3D1 HIS 304 HD2 -1.61 -0.02 -0.03 -0.04 6.97 5.26 2cb3D1 HIS 304 HE1 -0.11 -0.02 -0.06 -0.04 7.75 7.51 2cb3D1 ILE 305 H -0.02 0.53 -0.03 -0.55 8.25 8.18 2cb3D1 ILE 305 HA 0.06 0.12 0.89 -0.75 4.18 4.50 2cb3D1 ILE 305 HB -0.08 -0.04 -0.31 -0.04 1.89 1.41 2cb3D1 ILE 305 HG12 0.09 0.05 -0.16 -0.04 1.49 1.42 2cb3D1 ILE 305 HG13 0.20 -0.11 -0.29 -0.04 1.21 0.98 2cb3D1 ILE 305 HG23 -0.37 0.07 -0.22 -0.04 0.93 0.38 2cb3D1 ILE 305 HD13 -0.01 0.01 -0.05 -0.04 0.88 0.79 2cb3D1 SER 306 H 0.07 0.72 0.07 -0.55 8.46 8.78 2cb3D1 SER 306 HA 0.05 0.02 0.29 -0.75 4.49 4.09 2cb3D1 SER 306 HB2 0.06 0.12 -0.22 -0.04 3.95 3.87 2cb3D1 SER 306 HB3 0.10 0.03 -0.01 -0.04 3.93 4.01 2cb3D1 THR 307 H 0.06 0.13 0.14 -0.55 8.28 8.06 2cb3D1 THR 307 HA 0.12 0.11 0.40 -0.75 4.39 4.26 2cb3D1 THR 307 HB 0.04 -0.04 0.07 -0.04 4.32 4.35 2cb3D1 THR 307 HG23 0.05 -0.00 -0.02 -0.04 1.22 1.21 2cb3D1 ASP 308 H 0.06 0.03 -0.28 -0.55 8.40 7.67 2cb3D1 ASP 308 HA 0.07 0.20 0.74 -0.75 4.63 4.89 2cb3D1 ASP 308 HB2 -0.03 0.04 0.14 -0.04 2.71 2.82 2cb3D1 ASP 308 HB3 0.00 -0.04 -0.00 -0.04 2.70 2.62 2cb3D1 TYR 309 H 0.19 0.35 -0.58 -0.55 8.29 7.70 2cb3D1 TYR 309 HA -0.09 0.13 0.40 -0.75 4.56 4.25 2cb3D1 TYR 309 HB2 -0.01 -0.04 -0.20 -0.04 3.06 2.77 2cb3D1 TYR 309 HB3 -0.02 0.14 -0.02 -0.04 2.98 3.03 2cb3D1 TYR 309 HD2 -0.07 0.20 -0.39 -0.04 7.15 6.84 2cb3D1 TYR 309 HE2 -0.20 -0.04 -0.16 -0.04 6.85 6.42 2cb3D1 ARG 310 H -0.10 0.65 0.40 -0.55 8.46 8.85 2cb3D1 ARG 310 HA -0.03 0.30 0.92 -0.75 4.34 4.77 2cb3D1 ARG 310 HB2 -0.74 -0.07 0.19 -0.04 1.90 1.24 2cb3D1 ARG 310 HB3 -0.22 -0.04 0.00 -0.04 1.80 1.50 2cb3D1 ARG 310 HG2 -0.48 0.04 -0.04 -0.04 1.67 1.15 2cb3D1 ARG 310 HG3 -0.47 0.08 -0.02 -0.04 1.67 1.22 2cb3D1 ARG 310 HD2 -1.22 -0.04 -0.01 -0.04 3.22 1.91 2cb3D1 ARG 310 HD3 -1.86 -0.03 -0.04 -0.04 3.22 1.25 2cb3D1 LEU 311 H 0.20 0.72 0.11 -0.55 8.37 8.85 2cb3D1 LEU 311 HA 0.33 0.12 0.80 -0.75 4.35 4.85 2cb3D1 LEU 311 HB2 0.54 0.02 -0.10 -0.04 1.64 2.06 2cb3D1 LEU 311 HB3 0.39 -0.01 -0.26 -0.04 1.64 1.72 2cb3D1 LEU 311 HG 0.34 -0.06 -0.28 -0.04 1.64 1.61 2cb3D1 LEU 311 HD13 0.32 0.03 -0.04 -0.04 0.93 1.19 2cb3D1 LEU 311 HD23 0.54 0.01 -0.10 -0.04 0.89 1.30 2cb3D1 ILE 312 H 0.21 0.65 0.38 -0.55 8.25 8.94 2cb3D1 ILE 312 HA 0.16 0.19 0.96 -0.75 4.18 4.73 2cb3D1 ILE 312 HB 0.03 -0.03 0.09 -0.04 1.89 1.95 2cb3D1 ILE 312 HG12 0.21 0.06 -0.10 -0.04 1.49 1.62 2cb3D1 ILE 312 HG13 0.00 -0.13 -0.29 -0.04 1.21 0.75 2cb3D1 ILE 312 HG23 0.23 0.08 -0.21 -0.04 0.93 0.98 2cb3D1 ILE 312 HD13 -0.18 0.01 -0.16 -0.04 0.88 0.50 2cb3D1 CYS 313 H 0.12 0.19 0.20 -0.55 8.50 8.46 2cb3D1 CYS 313 HA 0.04 0.17 1.07 -0.75 4.58 5.11 2cb3D1 CYS 313 HB2 -0.14 0.01 0.12 -0.04 2.97 2.92 2cb3D1 CYS 313 HB3 -0.16 -0.04 0.16 -0.04 2.97 2.89 2cb3D1 HIS 314 H 0.07 0.57 0.27 -0.55 8.41 8.77 2cb3D1 HIS 314 HA -0.06 0.02 0.30 -0.75 4.63 4.14 2cb3D1 HIS 314 HB2 0.01 0.06 0.06 -0.04 3.26 3.34 2cb3D1 HIS 314 HB3 -0.06 0.08 -0.27 -0.04 3.20 2.91 2cb3D1 HIS 314 HD2 -0.00 -0.05 0.02 -0.04 6.97 6.89 2cb3D1 HIS 314 HE1 0.14 0.01 0.00 -0.04 7.75 7.86 2cb3D1 CYS 315 H -0.15 0.20 -0.01 -0.55 8.50 7.99 2cb3D1 CYS 315 HA -0.21 0.14 0.41 -0.75 4.58 4.17 2cb3D1 CYS 315 HB2 -0.23 -0.04 0.15 -0.04 2.97 2.81 2cb3D1 CYS 315 HB3 -0.24 0.25 0.04 -0.04 2.97 2.99 2cb3D1 GLN 316 H -0.14 0.39 -0.57 -0.55 8.47 7.61 2cb3D1 GLN 316 HA -0.07 0.12 0.70 -0.75 4.36 4.36 2cb3D1 GLN 316 HB2 -0.06 0.16 0.12 -0.04 2.15 2.33 2cb3D1 GLN 316 HB3 -0.02 -0.02 0.13 -0.04 2.02 2.06 2cb3D1 GLN 316 HG2 0.08 -0.02 0.07 -0.04 2.40 2.49 2cb3D1 GLN 316 HG3 -0.16 -0.07 -0.04 -0.04 2.39 2.08 2cb3D1 GLN 316 HE21 -0.23 0.40 0.24 -0.04 6.97 7.34 2cb3D1 GLN 316 HE22 0.02 -0.28 0.23 -0.04 7.69 7.62 2cb3D1 CYS 317 H -0.08 0.46 0.02 -0.55 8.50 8.36 2cb3D1 CYS 317 HA -0.03 0.21 0.92 -0.75 4.58 4.92 2cb3D1 CYS 317 HB2 -0.05 -0.02 -0.00 -0.04 2.97 2.85 2cb3D1 CYS 317 HB3 -0.16 0.01 -0.03 -0.04 2.97 2.75 2cb3D1 ASN 318 H -0.06 0.36 0.16 -0.55 8.53 8.44 2cb3D1 ASN 318 HA -0.00 0.18 0.75 -0.75 4.76 4.94 2cb3D1 ASN 318 HB2 -0.08 -0.03 -0.13 -0.04 2.88 2.59 2cb3D1 ASN 318 HB3 -0.00 -0.03 0.05 -0.04 2.79 2.76 2cb3D1 ASN 318 HD21 0.14 -0.11 -0.10 -0.04 7.03 6.92 2cb3D1 ASN 318 HD22 0.30 0.01 -0.05 -0.04 7.74 7.96 2cb3D1 SER 319 H -0.03 0.14 0.10 -0.55 8.46 8.12 2cb3D1 SER 319 HA -0.06 0.16 0.63 -0.75 4.49 4.47 2cb3D1 SER 319 HB2 -0.02 0.04 0.09 -0.04 3.95 4.02 2cb3D1 SER 319 HB3 -0.02 -0.03 0.19 -0.04 3.93 4.04 2cb3D1 THR 320 H -0.11 0.46 0.27 -0.55 8.28 8.34 2cb3D1 THR 320 HA -0.06 0.04 0.45 -0.75 4.39 4.07 2cb3D1 THR 320 HB -0.17 0.22 -0.12 -0.04 4.32 4.21 2cb3D1 THR 320 HG23 -0.67 0.07 -0.40 -0.04 1.22 0.18 2cb3D1 GLU 321 H -0.02 0.13 0.16 -0.55 8.60 8.33 2cb3D1 GLU 321 HA -0.06 0.18 0.57 -0.75 4.29 4.24 2cb3D1 GLU 321 HB2 0.06 -0.01 0.14 -0.04 2.09 2.23 2cb3D1 GLU 321 HB3 0.01 -0.13 0.04 -0.04 1.99 1.87 2cb3D1 GLU 321 HG2 0.01 0.04 0.06 -0.04 2.34 2.40 2cb3D1 GLU 321 HG3 0.02 0.00 0.05 -0.04 2.34 2.37 2cb3D1 SER 322 H -0.01 0.07 -0.04 -0.55 8.46 7.92 2cb3D1 SER 322 HA -0.76 -0.11 0.36 -0.75 4.49 3.23 2cb3D1 SER 322 HB2 0.31 0.07 0.10 -0.04 3.95 4.38 2cb3D1 SER 322 HB3 0.02 0.08 -0.01 -0.04 3.93 3.99 2cb3D1 PRO 323 HA -0.50 -0.12 0.31 -0.51 4.44 3.62 2cb3D1 PRO 323 HB2 -0.00 0.05 -0.09 -0.04 2.28 2.20 2cb3D1 PRO 323 HB3 0.03 -0.00 -0.18 -0.04 2.02 1.83 2cb3D1 PRO 323 HG2 -0.08 0.09 -0.18 -0.04 2.03 1.82 2cb3D1 PRO 323 HG3 -0.04 0.09 -0.03 -0.04 2.03 2.01 2cb3D1 PRO 323 HD2 -0.20 0.19 0.20 -0.04 3.68 3.83 2cb3D1 PRO 323 HD3 -0.07 -0.09 0.38 -0.04 3.65 3.83 2cb3D1 GLY 324 H -0.34 0.59 -0.05 -0.55 8.43 8.08 2cb3D1 GLY 324 HA2 -0.06 -0.08 0.16 -0.51 4.01 3.51 2cb3D1 GLY 324 HA3 0.02 0.07 0.44 -0.51 4.01 4.03 2cb3D1 ARG 325 H 0.01 0.06 0.19 -0.55 8.46 8.17 2cb3D1 ARG 325 HA 0.09 0.08 0.40 -0.75 4.34 4.15 2cb3D1 ARG 325 HB2 0.03 -0.05 0.23 -0.04 1.90 2.06 2cb3D1 ARG 325 HB3 0.02 0.30 0.31 -0.04 1.80 2.40 2cb3D1 ARG 325 HG2 0.02 0.01 0.04 -0.04 1.67 1.70 2cb3D1 ARG 325 HG3 0.01 0.01 -0.15 -0.04 1.67 1.51 2cb3D1 ARG 325 HD2 0.11 -0.03 0.08 -0.04 3.22 3.34 2cb3D1 ARG 325 HD3 0.05 -0.01 0.06 -0.04 3.22 3.29 2cb3D1 ARG 326 H 0.03 0.23 -0.12 -0.55 8.46 8.05 2cb3D1 ARG 326 HA -0.02 0.05 0.36 -0.75 4.34 3.98 2cb3D1 ARG 326 HB2 0.02 0.04 -0.21 -0.04 1.90 1.71 2cb3D1 ARG 326 HB3 0.05 0.16 -0.42 -0.04 1.80 1.55 2cb3D1 ARG 326 HG2 0.01 -0.02 -0.47 -0.04 1.67 1.15 2cb3D1 ARG 326 HG3 -0.03 -0.08 -0.33 -0.04 1.67 1.19 2cb3D1 ARG 326 HD2 -0.03 -0.04 0.01 -0.04 3.22 3.13 2cb3D1 ARG 326 HD3 -0.01 0.09 -0.00 -0.04 3.22 3.26 2cb3D1 LEU 327 H 0.01 0.32 -0.28 -0.55 8.37 7.87 2cb3D1 LEU 327 HA -0.20 0.03 0.50 -0.75 4.35 3.93 2cb3D1 LEU 327 HB2 -0.16 -0.06 0.12 -0.04 1.64 1.50 2cb3D1 LEU 327 HB3 -0.08 0.23 0.02 -0.04 1.64 1.77 2cb3D1 LEU 327 HG -0.30 -0.00 -0.19 -0.04 1.64 1.11 2cb3D1 LEU 327 HD13 -0.63 -0.02 0.06 -0.04 0.93 0.29 2cb3D1 LEU 327 HD23 -0.56 0.01 0.01 -0.04 0.89 0.30 2cb3D1 TYR 328 H 0.04 0.62 -0.18 -0.55 8.29 8.23 2cb3D1 TYR 328 HA -0.17 -0.02 0.36 -0.75 4.56 3.98 2cb3D1 TYR 328 HB2 -0.09 -0.02 -0.01 -0.04 3.06 2.90 2cb3D1 TYR 328 HB3 -0.09 0.18 0.13 -0.04 2.98 3.15 2cb3D1 TYR 328 HD2 -0.06 -0.03 0.02 -0.04 7.15 7.04 2cb3D1 TYR 328 HE2 0.12 0.01 -0.03 -0.04 6.85 6.91 2cb3D1 GLU 329 H -0.11 0.43 -0.23 -0.55 8.60 8.14 2cb3D1 GLU 329 HA -0.44 0.04 0.36 -0.75 4.29 3.50 2cb3D1 GLU 329 HB2 -0.13 0.11 0.05 -0.04 2.09 2.08 2cb3D1 GLU 329 HB3 -0.17 -0.03 0.02 -0.04 1.99 1.77 2cb3D1 GLU 329 HG2 -0.20 -0.05 0.01 -0.04 2.34 2.06 2cb3D1 GLU 329 HG3 -0.11 0.32 0.13 -0.04 2.34 2.64 2cb3D1 GLU 330 H -0.20 0.25 -0.41 -0.55 8.60 7.69 2cb3D1 GLU 330 HA -0.13 0.04 0.42 -0.75 4.29 3.87 2cb3D1 GLU 330 HB2 -0.13 -0.00 0.10 -0.04 2.09 2.02 2cb3D1 GLU 330 HB3 -0.27 0.14 0.22 -0.04 1.99 2.03 2cb3D1 GLU 330 HG2 -0.09 -0.08 -0.03 -0.04 2.34 2.10 2cb3D1 GLU 330 HG3 -0.26 0.02 -0.27 -0.04 2.34 1.79 2cb3D1 ILE 331 H -0.42 0.55 -0.07 -0.55 8.25 7.77 2cb3D1 ILE 331 HA -1.40 0.02 0.39 -0.75 4.18 2.44 2cb3D1 ILE 331 HB -0.27 0.07 0.10 -0.04 1.89 1.75 2cb3D1 ILE 331 HG12 -1.51 -0.02 -0.01 -0.04 1.49 -0.10 2cb3D1 ILE 331 HG13 -0.79 0.04 0.03 -0.04 1.21 0.45 2cb3D1 ILE 331 HG23 -0.12 -0.00 -0.20 -0.04 0.93 0.57 2cb3D1 ILE 331 HD13 -0.27 -0.03 -0.07 -0.04 0.88 0.47 2cb3D1 GLN 332 H -0.56 0.42 -0.26 -0.55 8.47 7.52 2cb3D1 GLN 332 HA -1.96 0.07 0.42 -0.75 4.36 2.13 2cb3D1 GLN 332 HB2 -1.08 -0.03 0.11 -0.04 2.15 1.11 2cb3D1 GLN 332 HB3 -1.52 -0.06 0.06 -0.04 2.02 0.46 2cb3D1 GLN 332 HG2 -0.60 0.13 0.10 -0.04 2.40 2.00 2cb3D1 GLN 332 HG3 -0.44 0.04 -0.08 -0.04 2.39 1.87 2cb3D1 GLN 332 HE21 -0.28 -0.06 -0.02 -0.04 6.97 6.57 2cb3D1 GLN 332 HE22 -0.27 0.03 -0.03 -0.04 7.69 7.38 2cb3D1 THR 333 H -0.22 0.31 -0.72 -0.55 8.28 7.10 2cb3D1 THR 333 HA -0.02 0.12 0.75 -0.75 4.39 4.48 2cb3D1 THR 333 HB 0.05 -0.10 0.11 -0.04 4.32 4.34 2cb3D1 THR 333 HG23 -0.09 0.02 -0.02 -0.04 1.22 1.09 2cb3D1 TRP 334 H 0.18 0.42 -0.12 -0.55 7.97 7.90 2cb3D1 TRP 334 HA 0.04 0.04 0.57 -0.75 4.62 4.52 2cb3D1 TRP 334 HB2 0.12 0.19 0.17 -0.04 3.23 3.66 2cb3D1 TRP 334 HB3 0.14 0.07 0.05 -0.04 3.23 3.44 2cb3D1 TRP 334 HD1 -0.01 -0.01 -0.18 -0.04 7.22 6.98 2cb3D1 TRP 334 HE1 -0.02 -0.07 -0.11 -0.04 10.20 9.96 2cb3D1 TRP 334 HE3 0.15 0.08 -0.04 -0.04 7.59 7.75 2cb3D1 TRP 334 HZ2 0.01 -0.10 -0.04 -0.04 7.44 7.27 2cb3D1 TRP 334 HZ3 0.14 -0.02 -0.13 -0.04 7.13 7.08 2cb3D1 TRP 334 HH2 0.23 -0.07 -0.01 -0.04 7.19 7.30 2cb3D1 PRO 335 HA 0.12 0.07 0.49 -0.51 4.44 4.60 2cb3D1 PRO 335 HB2 0.09 0.05 0.03 -0.04 2.28 2.41 2cb3D1 PRO 335 HB3 0.05 0.02 0.13 -0.04 2.02 2.17 2cb3D1 PRO 335 HG2 0.19 0.03 0.07 -0.04 2.03 2.27 2cb3D1 PRO 335 HG3 0.05 0.01 0.08 -0.04 2.03 2.13 2cb3D1 PRO 335 HD2 0.04 0.03 0.24 -0.04 3.68 3.95 2cb3D1 PRO 335 HD3 0.06 0.15 0.21 -0.04 3.65 4.02 2cb3D1 HIS 336 H -0.05 0.13 0.15 -0.55 8.41 8.09 2cb3D1 HIS 336 HA -0.09 0.05 0.34 -0.75 4.63 4.18 2cb3D1 HIS 336 HB2 -0.01 0.39 0.21 -0.04 3.26 3.81 2cb3D1 HIS 336 HB3 -0.41 -0.05 0.07 -0.04 3.20 2.76 2cb3D1 HIS 336 HD2 -0.04 -0.06 -0.27 -0.04 6.97 6.55 2cb3D1 HIS 336 HE1 -0.24 0.32 0.15 -0.04 7.75 7.93 2cb3D1 PHE 337 H 0.35 0.32 -0.53 -0.55 8.34 7.93 2cb3D1 PHE 337 HA 0.20 0.13 0.44 -0.75 4.62 4.64 2cb3D1 PHE 337 HB2 0.15 0.16 0.06 -0.04 3.15 3.47 2cb3D1 PHE 337 HB3 0.10 -0.01 0.06 -0.04 3.06 3.17 2cb3D1 PHE 337 HD2 0.07 0.02 -0.12 -0.04 7.28 7.21 2cb3D1 PHE 337 HE2 0.11 -0.12 -0.05 -0.04 7.38 7.27 2cb3D1 PHE 337 HZ 0.17 -0.09 -0.03 -0.04 7.32 7.33 2cb3D1 TYR 338 H -0.35 0.65 0.32 -0.55 8.29 8.36 2cb3D1 TYR 338 HA -0.23 0.13 0.90 -0.75 4.56 4.61 2cb3D1 TYR 338 HB2 -0.08 0.09 -0.00 -0.04 3.06 3.03 2cb3D1 TYR 338 HB3 -0.07 -0.06 0.00 -0.04 2.98 2.81 2cb3D1 TYR 338 HD2 0.04 -0.03 -0.11 -0.04 7.15 7.01 2cb3D1 TYR 338 HE2 0.09 -0.01 -0.06 -0.04 6.85 6.82 2cb3D1 ASN 339 H -0.45 0.22 0.08 -0.55 8.53 7.84 2cb3D1 ASN 339 HA -0.30 0.06 0.65 -0.75 4.76 4.41 2cb3D1 ASN 339 HB2 -0.04 0.11 0.10 -0.04 2.88 3.01 2cb3D1 ASN 339 HB3 -0.17 -0.02 0.17 -0.04 2.79 2.73 2cb3D1 ASN 339 HD21 0.10 0.01 0.03 -0.04 7.03 7.12 2cb3D1 ASN 339 HD22 0.18 0.09 0.02 -0.04 7.74 7.99 2cb3D1 ILE 340 H -0.15 0.17 0.20 -0.55 8.25 7.93 2cb3D1 ILE 340 HA -0.25 0.17 0.41 -0.75 4.18 3.75 2cb3D1 ILE 340 HB 0.01 -0.01 0.10 -0.04 1.89 1.94 2cb3D1 ILE 340 HG12 0.33 0.02 -0.06 -0.04 1.49 1.74 2cb3D1 ILE 340 HG13 0.04 0.02 0.05 -0.04 1.21 1.28 2cb3D1 ILE 340 HG23 0.12 0.02 0.01 -0.04 0.93 1.03 2cb3D1 ILE 340 HD13 0.06 0.01 -0.07 -0.04 0.88 0.83 2cb3D1 GLU 341 H -0.06 -0.09 -0.18 -0.55 8.60 7.72 2cb3D1 GLU 341 HA -0.01 0.22 0.58 -0.75 4.29 4.32 2cb3D1 GLU 341 HB2 0.01 -0.11 0.10 -0.04 2.09 2.04 2cb3D1 GLU 341 HB3 0.01 0.03 -0.03 -0.04 1.99 1.96 2cb3D1 GLU 341 HG2 0.03 -0.06 0.03 -0.04 2.34 2.30 2cb3D1 GLU 341 HG3 0.03 -0.01 0.01 -0.04 2.34 2.32 2cb3D1 GLU 342 H -0.05 -0.04 -0.06 -0.55 8.60 7.90 2cb3D1 GLU 342 HA -0.02 0.06 0.41 -0.75 4.29 3.98 2cb3D1 GLU 342 HB2 -0.02 0.01 0.05 -0.04 2.09 2.09 2cb3D1 GLU 342 HB3 -0.01 -0.08 0.08 -0.04 1.99 1.95 2cb3D1 GLU 342 HG2 -0.08 -0.14 0.06 -0.04 2.34 2.15 2cb3D1 GLU 342 HG3 -0.09 0.15 -0.14 -0.04 2.34 2.22 2cb3D1 GLU 343 H -0.16 0.11 -0.48 -0.55 8.60 7.53 2cb3D1 GLU 343 HA -0.03 -0.02 0.50 -0.75 4.29 3.99 2cb3D1 GLU 343 HB2 -0.45 0.24 0.07 -0.04 2.09 1.91 2cb3D1 GLU 343 HB3 -0.00 -0.02 0.02 -0.04 1.99 1.95 2cb3D1 GLU 343 HG2 0.08 -0.05 -0.01 -0.04 2.34 2.32 2cb3D1 GLU 343 HG3 0.02 -0.03 -0.02 -0.04 2.34 2.27