============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. PHE 3 1.000 52.374 -24.570 84.081 -99.200 -91.000 TRP 16 1.040 59.430 -1.682 64.664 -99.200 -91.000 TRP6 16 1.020 59.240 -3.438 66.241 -99.200 -91.000 HIS 17 0.900 51.245 -5.099 62.725 -99.200 -91.000 HIS 32 0.900 30.754 9.432 82.248 -99.200 -91.000 TYR 40 0.840 51.518 -3.766 82.328 -99.200 -91.000 PHE 51 1.000 47.136 -6.428 81.778 -99.200 -91.000 HIS 63 0.900 37.330 13.436 93.884 -99.200 -91.000 HIS 69 0.900 51.161 11.694 95.411 -99.200 -91.000 PHE 74 1.000 42.944 8.133 97.581 -99.200 -91.000 TRP 80 1.040 41.629 -0.840 78.240 -99.200 -91.000 TRP6 80 1.020 43.278 0.070 79.722 -99.200 -91.000 TYR 89 0.840 30.648 3.630 82.959 -99.200 -91.000 TRP 98 1.040 51.878 2.970 95.667 -99.200 -91.000 TRP6 98 1.020 54.016 1.879 95.887 -99.200 -91.000 HIS 104 0.900 47.292 -16.953 80.612 -99.200 -91.000 TRP 126 1.040 46.147 -9.926 93.648 -99.200 -91.000 TRP6 126 1.020 43.854 -10.098 94.211 -99.200 -91.000 TYR 127 0.840 48.467 -18.944 88.689 -99.200 -91.000 TRP 138 1.040 64.173 -5.920 99.035 -99.200 -91.000 TRP6 138 1.020 62.591 -7.037 97.617 -99.200 -91.000 HIS 153 0.900 60.982 -22.189 79.358 -99.200 -91.000 TYR 176 0.840 64.392 -16.808 89.122 -99.200 -91.000 PHE 177 1.000 56.511 -14.095 92.253 -99.200 -91.000 HIS 194 0.900 68.763 2.797 90.488 -99.200 -91.000 TYR 201 0.840 63.124 -10.008 74.047 -99.200 -91.000 TRP 215 1.040 73.665 6.160 91.572 -99.200 -91.000 TRP6 215 1.020 74.942 4.300 92.358 -99.200 -91.000 HIS 232 0.900 70.340 -12.432 88.465 -99.200 -91.000 TYR 236 0.840 74.834 -0.189 82.991 -99.200 -91.000 PHE 272 1.000 60.663 -1.316 73.020 -99.200 -91.000 PHE 274 1.000 60.968 -6.914 71.439 -99.200 -91.000 TRP 281 1.040 64.206 -3.720 64.693 -99.200 -91.000 TRP6 281 1.020 63.729 -1.770 63.422 -99.200 -91.000 TYR 294 0.840 59.779 5.061 71.933 -99.200 -91.000 TRP 322 1.040 53.935 16.925 75.220 -99.200 -91.000 TRP6 322 1.020 56.101 17.751 75.681 -99.200 -91.000 TYR 325 0.840 57.446 4.963 82.881 -99.200 -91.000 PHE 329 1.000 52.403 -5.757 73.286 -99.200 -91.000 TYR 332 0.840 55.940 -14.421 74.835 -99.200 -91.000 TRP 333 1.040 49.794 -18.290 74.901 -99.200 -91.000 TRP6 333 1.020 50.537 -16.348 76.113 -99.200 -91.000 PHE 339 1.000 57.845 -17.534 71.471 -99.200 -91.000 PHE 343 1.000 57.227 -0.136 69.447 -99.200 -91.000 TYR 344 0.840 53.963 -0.295 76.909 -99.200 -91.000 TRP 359 1.040 43.522 16.782 83.008 -99.200 -91.000 TRP6 359 1.020 44.588 15.866 81.117 -99.200 -91.000 TRP 377 1.040 49.652 7.614 60.213 -99.200 -91.000 TRP6 377 1.020 47.905 8.846 59.197 -99.200 -91.000 TRP 379 1.040 51.019 4.977 64.394 -99.200 -91.000 TRP6 379 1.020 48.858 4.651 63.478 -99.200 -91.000 HIS 380 0.900 50.201 12.889 65.911 -99.200 -91.000 TYR 387 0.840 38.788 20.784 71.241 -99.200 -91.000 PHE 388 1.000 40.911 17.080 77.877 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2cmlC1 ARG 2088 HA 0.06 -0.05 0.27 -0.75 4.34 3.87 2cmlC1 ARG 2088 HB2 0.00 -0.06 0.10 -0.04 1.90 1.90 2cmlC1 ARG 2088 HB3 0.01 -0.01 0.04 -0.04 1.80 1.81 2cmlC1 ARG 2088 HG2 0.03 0.05 0.12 -0.04 1.67 1.82 2cmlC1 ARG 2088 HG3 0.01 -0.06 0.06 -0.04 1.67 1.64 2cmlC1 ARG 2088 HD2 0.00 -0.04 0.05 -0.04 3.22 3.19 2cmlC1 ARG 2088 HD3 0.05 0.10 0.10 -0.04 3.22 3.43 2cmlC1 THR 2089 H 0.10 0.18 0.10 -0.55 8.28 8.11 2cmlC1 THR 2089 HA -0.11 0.13 0.23 -0.75 4.39 3.89 2cmlC1 THR 2089 HB 0.06 0.02 0.06 -0.04 4.32 4.42 2cmlC1 THR 2089 HG23 -0.02 0.02 0.06 -0.04 1.22 1.24 2cmlC1 PHE 2090 H -0.15 0.12 0.02 -0.55 8.34 7.78 2cmlC1 PHE 2090 HA 0.14 0.24 0.66 -0.75 4.62 4.91 2cmlC1 PHE 2090 HB2 0.03 0.01 0.07 -0.04 3.15 3.22 2cmlC1 PHE 2090 HB3 0.02 -0.09 -0.02 -0.04 3.06 2.94 2cmlC1 PHE 2090 HD2 0.06 0.08 -0.04 -0.04 7.28 7.34 2cmlC1 PHE 2090 HE2 0.07 -0.03 -0.03 -0.04 7.38 7.35 2cmlC1 PHE 2090 HZ 0.03 0.02 -0.03 -0.04 7.32 7.31 2cmlC1 LEU 2091 H 0.39 0.43 0.27 -0.55 8.37 8.92 2cmlC1 LEU 2091 HA 0.13 0.09 0.63 -0.75 4.35 4.45 2cmlC1 LEU 2091 HB2 0.20 0.00 -0.02 -0.04 1.64 1.78 2cmlC1 LEU 2091 HB3 0.18 -0.04 -0.08 -0.04 1.64 1.66 2cmlC1 LEU 2091 HG -0.19 -0.02 -0.48 -0.04 1.64 0.91 2cmlC1 LEU 2091 HD13 -0.53 -0.02 -0.03 -0.04 0.93 0.31 2cmlC1 LEU 2091 HD23 -0.69 -0.01 -0.01 -0.04 0.89 0.13 2cmlC1 ASN 2092 H 0.07 0.32 0.21 -0.55 8.53 8.58 2cmlC1 ASN 2092 HA -0.01 -0.01 0.86 -0.75 4.76 4.86 2cmlC1 ASN 2092 HB2 0.10 0.03 0.15 -0.04 2.88 3.11 2cmlC1 ASN 2092 HB3 0.10 0.01 -0.03 -0.04 2.79 2.83 2cmlC1 ASN 2092 HD21 0.05 0.03 -0.02 -0.04 7.03 7.05 2cmlC1 ASN 2092 HD22 0.06 -0.01 0.01 -0.04 7.74 7.76 2cmlC1 LEU 2093 H 0.75 0.17 0.08 -0.55 8.37 8.82 2cmlC1 LEU 2093 HA 0.41 0.17 0.43 -0.75 4.35 4.61 2cmlC1 LEU 2093 HB2 -0.00 -0.05 0.10 -0.04 1.64 1.65 2cmlC1 LEU 2093 HB3 0.19 -0.01 -0.05 -0.04 1.64 1.73 2cmlC1 LEU 2093 HG 0.01 0.08 -0.00 -0.04 1.64 1.68 2cmlC1 LEU 2093 HD13 -0.10 0.01 -0.21 -0.04 0.93 0.59 2cmlC1 LEU 2093 HD23 -0.56 0.00 -0.07 -0.04 0.89 0.23 2cmlC1 THR 2094 H 0.26 0.66 0.10 -0.55 8.28 8.75 2cmlC1 THR 2094 HA 0.08 0.05 0.29 -0.75 4.39 4.06 2cmlC1 THR 2094 HB 0.03 0.01 0.11 -0.04 4.32 4.42 2cmlC1 THR 2094 HG23 0.10 -0.02 -0.10 -0.04 1.22 1.16 2cmlC1 LYS 2095 H -0.32 0.07 -0.15 -0.55 8.42 7.47 2cmlC1 LYS 2095 HA -0.26 0.26 0.83 -0.75 4.32 4.40 2cmlC1 LYS 2095 HB2 -2.23 -0.08 -0.01 -0.04 1.87 -0.50 2cmlC1 LYS 2095 HB3 -0.65 0.14 0.01 -0.04 1.79 1.25 2cmlC1 LYS 2095 HG2 -0.24 0.10 -0.06 -0.04 1.46 1.22 2cmlC1 LYS 2095 HG3 -0.30 -0.16 -0.15 -0.04 1.46 0.81 2cmlC1 LYS 2095 HD2 -0.46 -0.04 -0.19 -0.04 1.69 0.95 2cmlC1 LYS 2095 HD3 -0.21 0.04 -0.27 -0.04 1.68 1.19 2cmlC1 LYS 2095 HE2 -0.04 -0.07 -0.01 -0.04 2.99 2.83 2cmlC1 LYS 2095 HE3 0.05 -0.05 0.01 -0.04 2.99 2.97 2cmlC1 PRO 2096 HA 0.02 0.06 0.67 -0.51 4.44 4.67 2cmlC1 PRO 2096 HB2 -0.01 0.15 0.07 -0.04 2.28 2.44 2cmlC1 PRO 2096 HB3 -0.01 0.02 0.12 -0.04 2.02 2.11 2cmlC1 PRO 2096 HG2 -0.07 0.02 0.03 -0.04 2.03 1.97 2cmlC1 PRO 2096 HG3 -0.05 0.03 0.10 -0.04 2.03 2.07 2cmlC1 PRO 2096 HD2 -0.19 0.34 0.40 -0.04 3.68 4.19 2cmlC1 PRO 2096 HD3 -0.12 0.17 0.30 -0.04 3.65 3.96 2cmlC1 LEU 2097 H 0.09 0.10 0.16 -0.55 8.37 8.17 2cmlC1 LEU 2097 HA 0.09 0.25 0.81 -0.75 4.35 4.74 2cmlC1 LEU 2097 HB2 0.09 -0.08 0.11 -0.04 1.64 1.72 2cmlC1 LEU 2097 HB3 -0.01 0.16 -0.01 -0.04 1.64 1.74 2cmlC1 LEU 2097 HG 0.30 -0.05 0.00 -0.04 1.64 1.85 2cmlC1 LEU 2097 HD13 0.08 -0.01 -0.07 -0.04 0.93 0.90 2cmlC1 LEU 2097 HD23 0.02 0.01 0.02 -0.04 0.89 0.89 2cmlC1 CYS 2098 H -0.04 0.48 0.03 -0.55 8.50 8.42 2cmlC1 CYS 2098 HA -0.05 -0.01 0.40 -0.75 4.58 4.17 2cmlC1 CYS 2098 HB2 -0.13 -0.02 -0.07 -0.04 2.97 2.72 2cmlC1 CYS 2098 HB3 -0.09 0.08 -0.10 -0.04 2.97 2.82 2cmlC1 GLU 2099 H -0.04 0.06 0.10 -0.55 8.60 8.18 2cmlC1 GLU 2099 HA 0.00 0.07 0.61 -0.75 4.29 4.22 2cmlC1 GLU 2099 HB2 -0.01 0.02 0.10 -0.04 2.09 2.16 2cmlC1 GLU 2099 HB3 -0.03 -0.06 0.10 -0.04 1.99 1.97 2cmlC1 GLU 2099 HG2 -0.02 -0.02 -0.38 -0.04 2.34 1.88 2cmlC1 GLU 2099 HG3 0.02 0.04 -0.10 -0.04 2.34 2.26 2cmlC1 VAL 2100 H 0.05 0.22 0.12 -0.55 8.24 8.08 2cmlC1 VAL 2100 HA -0.25 0.20 0.78 -0.75 4.13 4.10 2cmlC1 VAL 2100 HB -0.14 -0.00 -0.01 -0.04 2.12 1.93 2cmlC1 VAL 2100 HG13 -1.65 -0.03 -0.11 -0.04 0.97 -0.86 2cmlC1 VAL 2100 HG23 -0.43 0.07 -0.21 -0.04 0.95 0.34 2cmlC1 ASN 2101 H -0.14 0.72 0.34 -0.55 8.53 8.90 2cmlC1 ASN 2101 HA 0.33 0.13 0.80 -0.75 4.76 5.27 2cmlC1 ASN 2101 HB2 0.01 0.16 -0.22 -0.04 2.88 2.79 2cmlC1 ASN 2101 HB3 0.08 -0.06 -0.02 -0.04 2.79 2.76 2cmlC1 ASN 2101 HD21 0.01 -0.11 -0.07 -0.04 7.03 6.82 2cmlC1 ASN 2101 HD22 0.00 0.60 0.07 -0.04 7.74 8.37 2cmlC1 SER 2102 H -0.43 0.20 0.26 -0.55 8.46 7.94 2cmlC1 SER 2102 HA 0.00 0.14 0.68 -0.75 4.49 4.56 2cmlC1 SER 2102 HB2 0.00 0.41 -0.19 -0.04 3.95 4.13 2cmlC1 SER 2102 HB3 -0.07 -0.14 -0.12 -0.04 3.93 3.56 2cmlC1 TRP 2103 H 0.16 0.25 0.08 -0.55 7.97 7.92 2cmlC1 TRP 2103 HA -0.13 0.22 0.88 -0.75 4.62 4.84 2cmlC1 TRP 2103 HB2 0.07 -0.01 -0.03 -0.04 3.23 3.21 2cmlC1 TRP 2103 HB3 0.01 0.03 -0.18 -0.04 3.23 3.04 2cmlC1 TRP 2103 HD1 -0.35 -0.00 -0.25 -0.04 7.22 6.58 2cmlC1 TRP 2103 HE1 -2.53 -0.01 -0.33 -0.04 10.20 7.29 2cmlC1 TRP 2103 HE3 -0.11 0.02 -0.61 -0.04 7.59 6.84 2cmlC1 TRP 2103 HZ2 -0.75 -0.02 -0.22 -0.04 7.44 6.40 2cmlC1 TRP 2103 HZ3 -0.16 0.13 -0.39 -0.04 7.13 6.68 2cmlC1 TRP 2103 HH2 -0.31 -0.03 -0.18 -0.04 7.19 6.63 2cmlC1 HIS 2104 H -0.03 0.77 0.21 -0.55 8.41 8.82 2cmlC1 HIS 2104 HA 0.11 0.17 0.97 -0.75 4.63 5.13 2cmlC1 HIS 2104 HB2 0.02 -0.00 0.05 -0.04 3.26 3.29 2cmlC1 HIS 2104 HB3 -0.01 -0.07 -0.06 -0.04 3.20 3.02 2cmlC1 HIS 2104 HD2 -0.07 0.16 -0.18 -0.04 6.97 6.83 2cmlC1 HIS 2104 HE1 -0.03 -0.01 -0.09 -0.04 7.75 7.58 2cmlC1 ILE 2105 H 0.17 0.12 0.14 -0.55 8.25 8.13 2cmlC1 ILE 2105 HA -0.35 0.08 0.65 -0.75 4.18 3.81 2cmlC1 ILE 2105 HB -0.31 0.00 0.12 -0.04 1.89 1.67 2cmlC1 ILE 2105 HG12 -1.29 -0.01 -0.07 -0.04 1.49 0.07 2cmlC1 ILE 2105 HG13 -0.44 -0.00 -0.28 -0.04 1.21 0.44 2cmlC1 ILE 2105 HG23 0.06 0.00 -0.04 -0.04 0.93 0.91 2cmlC1 ILE 2105 HD13 -1.23 0.04 0.10 -0.04 0.88 -0.25 2cmlC1 LEU 2106 H -0.28 0.46 0.43 -0.55 8.37 8.44 2cmlC1 LEU 2106 HA 0.06 0.15 0.80 -0.75 4.35 4.60 2cmlC1 LEU 2106 HB2 -0.16 -0.03 -0.10 -0.04 1.64 1.30 2cmlC1 LEU 2106 HB3 -0.09 0.01 -0.13 -0.04 1.64 1.39 2cmlC1 LEU 2106 HG 0.03 0.01 -0.24 -0.04 1.64 1.39 2cmlC1 LEU 2106 HD13 0.10 0.00 -0.04 -0.04 0.93 0.95 2cmlC1 LEU 2106 HD23 0.19 -0.02 -0.19 -0.04 0.89 0.83 2cmlC1 SER 2107 H -0.19 0.38 0.32 -0.55 8.46 8.43 2cmlC1 SER 2107 HA -0.07 0.16 0.58 -0.75 4.49 4.41 2cmlC1 SER 2107 HB2 -0.04 0.09 -0.37 -0.04 3.95 3.58 2cmlC1 SER 2107 HB3 -0.07 -0.07 -0.15 -0.04 3.93 3.59 2cmlC1 LYS 2108 H -0.02 0.41 0.12 -0.55 8.42 8.38 2cmlC1 LYS 2108 HA -0.02 0.23 0.78 -0.75 4.32 4.56 2cmlC1 LYS 2108 HB2 -0.14 0.02 -0.12 -0.04 1.87 1.59 2cmlC1 LYS 2108 HB3 0.04 0.02 0.10 -0.04 1.79 1.90 2cmlC1 LYS 2108 HG2 0.09 -0.21 0.10 -0.04 1.46 1.40 2cmlC1 LYS 2108 HG3 0.06 0.09 0.26 -0.04 1.46 1.82 2cmlC1 LYS 2108 HD2 0.45 -0.03 0.02 -0.04 1.69 2.10 2cmlC1 LYS 2108 HD3 0.24 -0.03 -0.00 -0.04 1.68 1.85 2cmlC1 LYS 2108 HE2 0.24 0.09 -0.07 -0.04 2.99 3.21 2cmlC1 LYS 2108 HE3 0.18 -0.04 -0.04 -0.04 2.99 3.05 2cmlC1 ASP 2109 H 0.07 0.32 0.29 -0.55 8.40 8.53 2cmlC1 ASP 2109 HA 0.08 0.53 0.87 -0.75 4.63 5.36 2cmlC1 ASP 2109 HB2 0.16 0.19 -0.33 -0.04 2.71 2.69 2cmlC1 ASP 2109 HB3 0.18 -0.09 -0.13 -0.04 2.70 2.63 2cmlC1 ASN 2110 H 0.07 0.12 0.03 -0.55 8.53 8.20 2cmlC1 ASN 2110 HA 0.07 0.06 0.37 -0.75 4.76 4.51 2cmlC1 ASN 2110 HB2 0.05 0.16 0.03 -0.04 2.88 3.08 2cmlC1 ASN 2110 HB3 0.06 -0.09 0.21 -0.04 2.79 2.94 2cmlC1 ASN 2110 HD21 0.10 0.02 -0.10 -0.04 7.03 7.02 2cmlC1 ASN 2110 HD22 0.07 0.10 -0.28 -0.04 7.74 7.59 2cmlC1 ALA 2111 H 0.04 0.01 -0.09 -0.55 8.40 7.81 2cmlC1 ALA 2111 HA -0.04 0.13 0.15 -0.75 4.34 3.82 2cmlC1 ALA 2111 HB3 -0.06 0.06 0.11 -0.04 1.41 1.48 2cmlC1 ILE 2112 H 0.04 0.01 -0.21 -0.55 8.25 7.55 2cmlC1 ILE 2112 HA -0.05 0.17 0.41 -0.75 4.18 3.96 2cmlC1 ILE 2112 HB 0.12 -0.09 -0.07 -0.04 1.89 1.81 2cmlC1 ILE 2112 HG12 0.04 -0.07 -0.29 -0.04 1.49 1.13 2cmlC1 ILE 2112 HG13 0.10 0.02 -0.19 -0.04 1.21 1.10 2cmlC1 ILE 2112 HG23 0.03 0.02 -0.20 -0.04 0.93 0.74 2cmlC1 ILE 2112 HD13 -0.18 0.02 -0.17 -0.04 0.88 0.51 2cmlC1 ARG 2113 H 0.11 0.07 -0.20 -0.55 8.46 7.89 2cmlC1 ARG 2113 HA 0.18 0.01 0.34 -0.75 4.34 4.11 2cmlC1 ARG 2113 HB2 0.08 0.10 0.12 -0.04 1.90 2.16 2cmlC1 ARG 2113 HB3 0.08 0.04 -0.05 -0.04 1.80 1.83 2cmlC1 ARG 2113 HG2 0.14 0.01 -0.12 -0.04 1.67 1.66 2cmlC1 ARG 2113 HG3 0.14 -0.16 -0.25 -0.04 1.67 1.35 2cmlC1 ARG 2113 HD2 0.09 0.04 -0.10 -0.04 3.22 3.21 2cmlC1 ARG 2113 HD3 0.08 0.03 0.03 -0.04 3.22 3.32 2cmlC1 ILE 2114 H 0.04 0.55 -0.08 -0.55 8.25 8.20 2cmlC1 ILE 2114 HA -0.01 0.04 0.48 -0.75 4.18 3.94 2cmlC1 ILE 2114 HB -0.02 0.07 0.07 -0.04 1.89 1.96 2cmlC1 ILE 2114 HG12 0.00 -0.04 0.03 -0.04 1.49 1.43 2cmlC1 ILE 2114 HG13 0.02 -0.02 0.06 -0.04 1.21 1.23 2cmlC1 ILE 2114 HG23 -0.05 -0.02 -0.13 -0.04 0.93 0.70 2cmlC1 ILE 2114 HD13 0.01 0.03 0.01 -0.04 0.88 0.89 2cmlC1 GLY 2115 H -0.02 0.57 -0.24 -0.55 8.43 8.20 2cmlC1 GLY 2115 HA2 -0.08 0.08 0.40 -0.51 4.01 3.89 2cmlC1 GLY 2115 HA3 -0.08 0.04 0.35 -0.51 4.01 3.81 2cmlC1 GLU 2116 H 0.07 0.36 -0.59 -0.55 8.60 7.89 2cmlC1 GLU 2116 HA -0.02 0.02 0.42 -0.75 4.29 3.96 2cmlC1 GLU 2116 HB2 -0.03 -0.02 0.09 -0.04 2.09 2.09 2cmlC1 GLU 2116 HB3 -0.10 0.09 0.10 -0.04 1.99 2.04 2cmlC1 GLU 2116 HG2 -0.98 0.03 0.01 -0.04 2.34 1.35 2cmlC1 GLU 2116 HG3 -0.46 -0.12 -0.02 -0.04 2.34 1.70 2cmlC1 ASP 2117 H -0.08 0.20 -0.25 -0.55 8.40 7.73 2cmlC1 ASP 2117 HA -0.13 0.15 0.84 -0.75 4.63 4.74 2cmlC1 ASP 2117 HB2 -0.12 -0.02 -0.14 -0.04 2.71 2.39 2cmlC1 ASP 2117 HB3 -0.10 0.01 0.07 -0.04 2.70 2.65 2cmlC1 ALA 2118 H -0.11 0.47 0.30 -0.55 8.40 8.52 2cmlC1 ALA 2118 HA -0.24 0.07 0.39 -0.75 4.34 3.80 2cmlC1 ALA 2118 HB3 -0.07 -0.00 0.03 -0.04 1.41 1.32 2cmlC1 HIS 2119 H -0.04 0.11 0.06 -0.55 8.41 8.00 2cmlC1 HIS 2119 HA -0.08 0.13 0.29 -0.75 4.63 4.21 2cmlC1 HIS 2119 HB2 -0.11 -0.05 0.23 -0.04 3.26 3.29 2cmlC1 HIS 2119 HB3 -0.15 -0.02 0.07 -0.04 3.20 3.05 2cmlC1 HIS 2119 HD2 -0.02 -0.02 -0.06 -0.04 6.97 6.82 2cmlC1 HIS 2119 HE1 0.04 0.00 0.01 -0.04 7.75 7.76 2cmlC1 ILE 2120 H -0.11 0.38 0.28 -0.55 8.25 8.25 2cmlC1 ILE 2120 HA -0.22 0.19 0.81 -0.75 4.18 4.22 2cmlC1 ILE 2120 HB -0.15 -0.04 0.13 -0.04 1.89 1.79 2cmlC1 ILE 2120 HG12 -0.11 0.05 -0.51 -0.04 1.49 0.88 2cmlC1 ILE 2120 HG13 -0.11 -0.01 -0.20 -0.04 1.21 0.85 2cmlC1 ILE 2120 HG23 -0.23 0.11 -0.05 -0.04 0.93 0.71 2cmlC1 ILE 2120 HD13 -0.16 -0.01 -0.48 -0.04 0.88 0.20 2cmlC1 LEU 2121 H -0.28 0.60 0.28 -0.55 8.37 8.42 2cmlC1 LEU 2121 HA -0.17 0.01 0.54 -0.75 4.35 3.98 2cmlC1 LEU 2121 HB2 -0.29 0.01 -0.08 -0.04 1.64 1.24 2cmlC1 LEU 2121 HB3 -0.17 0.08 -0.06 -0.04 1.64 1.44 2cmlC1 LEU 2121 HG -0.26 -0.08 -0.28 -0.04 1.64 0.98 2cmlC1 LEU 2121 HD13 -0.21 -0.00 -0.28 -0.04 0.93 0.40 2cmlC1 LEU 2121 HD23 -0.15 -0.03 -0.20 -0.04 0.89 0.48 2cmlC1 VAL 2122 H -0.13 0.52 0.31 -0.55 8.24 8.39 2cmlC1 VAL 2122 HA -0.16 0.01 0.70 -0.75 4.13 3.94 2cmlC1 VAL 2122 HB -0.05 -0.01 0.08 -0.04 2.12 2.09 2cmlC1 VAL 2122 HG13 0.00 -0.00 0.04 -0.04 0.97 0.97 2cmlC1 VAL 2122 HG23 -0.19 -0.03 -0.22 -0.04 0.95 0.46 2cmlC1 THR 2123 H -0.05 0.11 0.27 -0.55 8.28 8.06 2cmlC1 THR 2123 HA -0.00 0.38 0.73 -0.75 4.39 4.75 2cmlC1 THR 2123 HB 0.05 -0.01 -0.09 -0.04 4.32 4.23 2cmlC1 THR 2123 HG23 -0.11 0.00 -0.45 -0.04 1.22 0.61 2cmlC1 ARG 2124 H 0.04 0.66 0.30 -0.55 8.46 8.91 2cmlC1 ARG 2124 HA 0.02 -0.05 -0.01 -0.75 4.34 3.55 2cmlC1 ARG 2124 HB2 -0.00 0.12 0.02 -0.04 1.90 1.99 2cmlC1 ARG 2124 HB3 -0.07 -0.08 0.11 -0.04 1.80 1.72 2cmlC1 ARG 2124 HG2 0.01 -0.11 -0.03 -0.04 1.67 1.50 2cmlC1 ARG 2124 HG3 0.01 0.18 -0.00 -0.04 1.67 1.82 2cmlC1 ARG 2124 HD2 -0.03 0.01 0.00 -0.04 3.22 3.15 2cmlC1 ARG 2124 HD3 -0.06 0.10 0.01 -0.04 3.22 3.23 2cmlC1 GLU 2125 H -0.05 0.09 0.14 -0.55 8.60 8.24 2cmlC1 GLU 2125 HA 0.12 0.05 0.41 -0.75 4.29 4.12 2cmlC1 GLU 2125 HB2 0.12 0.05 0.12 -0.04 2.09 2.34 2cmlC1 GLU 2125 HB3 0.22 0.03 0.24 -0.04 1.99 2.44 2cmlC1 GLU 2125 HG2 0.15 0.02 0.07 -0.04 2.34 2.55 2cmlC1 GLU 2125 HG3 -0.17 -0.02 0.12 -0.04 2.34 2.23 2cmlC1 PRO 2126 HA -0.04 0.25 0.64 -0.51 4.44 4.78 2cmlC1 PRO 2126 HB2 -0.16 -0.00 -0.03 -0.04 2.28 2.05 2cmlC1 PRO 2126 HB3 0.06 -0.04 -0.02 -0.04 2.02 1.97 2cmlC1 PRO 2126 HG2 0.02 0.05 -0.14 -0.04 2.03 1.92 2cmlC1 PRO 2126 HG3 0.09 -0.00 -0.03 -0.04 2.03 2.05 2cmlC1 PRO 2126 HD2 0.14 0.04 0.18 -0.04 3.68 4.01 2cmlC1 PRO 2126 HD3 0.07 -0.01 -0.06 -0.04 3.65 3.60 2cmlC1 TYR 2127 H -0.45 0.57 0.35 -0.55 8.29 8.21 2cmlC1 TYR 2127 HA -1.81 0.02 0.15 -0.75 4.56 2.17 2cmlC1 TYR 2127 HB2 -0.20 -0.11 0.21 -0.04 3.06 2.93 2cmlC1 TYR 2127 HB3 -0.27 0.37 0.27 -0.04 2.98 3.30 2cmlC1 TYR 2127 HD2 -0.18 0.21 -0.46 -0.04 7.15 6.68 2cmlC1 TYR 2127 HE2 -0.32 0.01 -0.31 -0.04 6.85 6.19 2cmlC1 LEU 2128 H -0.21 0.24 0.15 -0.55 8.37 7.99 2cmlC1 LEU 2128 HA -0.34 0.26 1.00 -0.75 4.35 4.52 2cmlC1 LEU 2128 HB2 -1.97 -0.05 -0.05 -0.04 1.64 -0.47 2cmlC1 LEU 2128 HB3 -0.75 0.05 0.01 -0.04 1.64 0.91 2cmlC1 LEU 2128 HG -0.89 -0.02 -0.20 -0.04 1.64 0.49 2cmlC1 LEU 2128 HD13 -0.33 -0.01 -0.24 -0.04 0.93 0.30 2cmlC1 LEU 2128 HD23 -0.34 0.01 -0.32 -0.04 0.89 0.20 2cmlC1 SER 2129 H -0.08 0.62 0.26 -0.55 8.46 8.71 2cmlC1 SER 2129 HA 0.05 0.08 0.67 -0.75 4.49 4.53 2cmlC1 SER 2129 HB2 -0.31 0.10 -0.18 -0.04 3.95 3.52 2cmlC1 SER 2129 HB3 -0.66 -0.04 -0.10 -0.04 3.93 3.09 2cmlC1 CYS 2130 H 0.28 0.17 0.24 -0.55 8.50 8.64 2cmlC1 CYS 2130 HA 0.03 0.20 0.97 -0.75 4.58 5.03 2cmlC1 CYS 2130 HB2 0.54 0.01 0.18 -0.04 2.97 3.66 2cmlC1 CYS 2130 HB3 0.25 0.09 0.10 -0.04 2.97 3.37 2cmlC1 ASP 2131 H -0.28 0.59 0.35 -0.55 8.40 8.52 2cmlC1 ASP 2131 HA -1.97 0.09 0.31 -0.75 4.63 2.31 2cmlC1 ASP 2131 HB2 -1.60 0.05 0.12 -0.04 2.71 1.23 2cmlC1 ASP 2131 HB3 -0.67 0.05 0.01 -0.04 2.70 2.05 2cmlC1 PRO 2132 HA -0.43 0.09 0.41 -0.51 4.44 4.00 2cmlC1 PRO 2132 HB2 -0.24 0.04 -0.01 -0.04 2.28 2.03 2cmlC1 PRO 2132 HB3 -0.15 0.09 0.13 -0.04 2.02 2.05 2cmlC1 PRO 2132 HG2 -0.26 0.16 0.04 -0.04 2.03 1.92 2cmlC1 PRO 2132 HG3 -0.44 0.07 0.10 -0.04 2.03 1.71 2cmlC1 PRO 2132 HD2 -1.16 0.10 0.11 -0.04 3.68 2.68 2cmlC1 PRO 2132 HD3 -1.68 0.00 0.09 -0.04 3.65 2.02 2cmlC1 GLN 2133 H -0.35 -0.10 -0.56 -0.55 8.47 6.91 2cmlC1 GLN 2133 HA -0.09 0.22 0.59 -0.75 4.36 4.32 2cmlC1 GLN 2133 HB2 -0.18 -0.07 -0.01 -0.04 2.15 1.85 2cmlC1 GLN 2133 HB3 -0.10 0.01 -0.08 -0.04 2.02 1.81 2cmlC1 GLN 2133 HG2 -0.09 -0.00 -0.06 -0.04 2.40 2.21 2cmlC1 GLN 2133 HG3 -0.06 0.02 -0.02 -0.04 2.39 2.29 2cmlC1 GLN 2133 HE21 -0.04 0.03 -0.08 -0.04 6.97 6.85 2cmlC1 GLN 2133 HE22 -0.04 -0.01 -0.02 -0.04 7.69 7.58 2cmlC1 GLY 2134 H -0.17 0.10 0.06 -0.55 8.43 7.87 2cmlC1 GLY 2134 HA2 -0.01 0.09 0.34 -0.51 4.01 3.91 2cmlC1 GLY 2134 HA3 -0.05 0.11 0.38 -0.51 4.01 3.94 2cmlC1 CYS 2135 H -0.03 0.25 0.19 -0.55 8.50 8.36 2cmlC1 CYS 2135 HA -0.02 0.17 0.96 -0.75 4.58 4.94 2cmlC1 CYS 2135 HB2 -0.02 0.00 0.02 -0.04 2.97 2.93 2cmlC1 CYS 2135 HB3 -0.05 0.06 -0.09 -0.04 2.97 2.84 2cmlC1 ARG 2136 H -0.04 0.59 0.31 -0.55 8.46 8.77 2cmlC1 ARG 2136 HA -0.29 0.05 0.89 -0.75 4.34 4.24 2cmlC1 ARG 2136 HB2 -0.13 -0.02 0.01 -0.04 1.90 1.72 2cmlC1 ARG 2136 HB3 -0.52 0.18 0.09 -0.04 1.80 1.51 2cmlC1 ARG 2136 HG2 -0.18 -0.00 -0.18 -0.04 1.67 1.26 2cmlC1 ARG 2136 HG3 -0.12 -0.12 -0.41 -0.04 1.67 0.98 2cmlC1 ARG 2136 HD2 -0.11 -0.02 -0.19 -0.04 3.22 2.86 2cmlC1 ARG 2136 HD3 -0.08 -0.02 -0.16 -0.04 3.22 2.92 2cmlC1 MET 2137 H -0.87 0.43 0.16 -0.55 8.47 7.65 2cmlC1 MET 2137 HA -0.58 0.23 0.92 -0.75 4.52 4.33 2cmlC1 MET 2137 HB2 -2.34 0.00 -0.04 -0.04 2.15 -0.27 2cmlC1 MET 2137 HB3 -1.20 0.07 0.01 -0.04 2.03 0.88 2cmlC1 MET 2137 HG2 -0.40 0.05 -0.09 -0.04 2.63 2.14 2cmlC1 MET 2137 HG3 -0.47 -0.11 -0.14 -0.04 2.56 1.79 2cmlC1 MET 2137 HE3 -0.05 0.00 -0.23 -0.04 2.10 1.78 2cmlC1 PHE 2138 H -0.64 0.60 0.35 -0.55 8.34 8.10 2cmlC1 PHE 2138 HA -0.53 0.37 0.92 -0.75 4.62 4.63 2cmlC1 PHE 2138 HB2 -1.66 -0.06 -0.17 -0.04 3.15 1.22 2cmlC1 PHE 2138 HB3 -0.99 0.06 -0.14 -0.04 3.06 1.95 2cmlC1 PHE 2138 HD2 -0.42 -0.01 -0.43 -0.04 7.28 6.38 2cmlC1 PHE 2138 HE2 -0.18 0.01 -0.17 -0.04 7.38 7.01 2cmlC1 PHE 2138 HZ -0.11 -0.03 -0.20 -0.04 7.32 6.93 2cmlC1 ALA 2139 H 0.04 0.58 0.33 -0.55 8.40 8.80 2cmlC1 ALA 2139 HA 0.05 0.22 0.23 -0.75 4.34 4.08 2cmlC1 ALA 2139 HB3 0.26 0.00 -0.13 -0.04 1.41 1.50 2cmlC1 LEU 2140 H 0.10 0.61 0.16 -0.55 8.37 8.70 2cmlC1 LEU 2140 HA 0.06 0.20 1.10 -0.75 4.35 4.96 2cmlC1 LEU 2140 HB2 0.09 0.06 0.18 -0.04 1.64 1.92 2cmlC1 LEU 2140 HB3 0.09 0.10 0.06 -0.04 1.64 1.84 2cmlC1 LEU 2140 HG 0.15 0.02 -0.05 -0.04 1.64 1.71 2cmlC1 LEU 2140 HD13 0.16 -0.04 -0.17 -0.04 0.93 0.84 2cmlC1 LEU 2140 HD23 0.08 0.00 -0.30 -0.04 0.89 0.63 2cmlC1 SER 2141 H 0.02 0.42 0.30 -0.55 8.46 8.66 2cmlC1 SER 2141 HA -0.02 0.21 0.64 -0.75 4.49 4.57 2cmlC1 SER 2141 HB2 -0.05 -0.02 0.07 -0.04 3.95 3.91 2cmlC1 SER 2141 HB3 -0.02 -0.00 0.14 -0.04 3.93 4.01 2cmlC1 GLN 2142 H -0.02 0.53 0.25 -0.55 8.47 8.69 2cmlC1 GLN 2142 HA 0.07 0.17 0.71 -0.75 4.36 4.56 2cmlC1 GLN 2142 HB2 0.02 -0.06 -0.00 -0.04 2.15 2.07 2cmlC1 GLN 2142 HB3 0.07 0.00 0.04 -0.04 2.02 2.09 2cmlC1 GLN 2142 HG2 0.03 0.00 -0.42 -0.04 2.40 1.97 2cmlC1 GLN 2142 HG3 0.04 0.02 -0.17 -0.04 2.39 2.24 2cmlC1 GLN 2142 HE21 0.03 0.34 -0.05 -0.04 6.97 7.25 2cmlC1 GLN 2142 HE22 0.04 -0.07 -0.10 -0.04 7.69 7.51 2cmlC1 GLY 2143 H -0.00 -0.06 -0.12 -0.55 8.43 7.70 2cmlC1 GLY 2143 HA2 -0.02 -0.09 0.26 -0.51 4.01 3.64 2cmlC1 GLY 2143 HA3 0.04 0.26 0.47 -0.51 4.01 4.27 2cmlC1 THR 2144 H -0.05 0.19 -0.00 -0.55 8.28 7.87 2cmlC1 THR 2144 HA -0.06 0.03 0.51 -0.75 4.39 4.11 2cmlC1 THR 2144 HB -0.01 0.18 -0.26 -0.04 4.32 4.19 2cmlC1 THR 2144 HG23 0.01 0.04 -0.38 -0.04 1.22 0.85 2cmlC1 THR 2145 H -0.04 0.07 0.09 -0.55 8.28 7.84 2cmlC1 THR 2145 HA -0.12 0.14 0.69 -0.75 4.39 4.34 2cmlC1 THR 2145 HB -0.08 0.09 -0.10 -0.04 4.32 4.18 2cmlC1 THR 2145 HG23 -0.11 0.00 -0.17 -0.04 1.22 0.90 2cmlC1 LEU 2146 H -0.16 0.88 0.32 -0.55 8.37 8.87 2cmlC1 LEU 2146 HA -0.35 0.06 0.41 -0.75 4.35 3.72 2cmlC1 LEU 2146 HB2 -0.34 0.01 -0.04 -0.04 1.64 1.23 2cmlC1 LEU 2146 HB3 -0.23 0.07 0.12 -0.04 1.64 1.56 2cmlC1 LEU 2146 HG -0.75 0.06 -0.20 -0.04 1.64 0.70 2cmlC1 LEU 2146 HD13 -1.63 -0.02 -0.07 -0.04 0.93 -0.83 2cmlC1 LEU 2146 HD23 -0.38 0.00 -0.22 -0.04 0.89 0.24 2cmlC1 ARG 2147 H -0.08 0.06 -0.06 -0.55 8.46 7.82 2cmlC1 ARG 2147 HA 0.01 0.20 0.70 -0.75 4.34 4.49 2cmlC1 ARG 2147 HB2 -0.02 -0.06 -0.01 -0.04 1.90 1.77 2cmlC1 ARG 2147 HB3 0.01 -0.05 0.05 -0.04 1.80 1.77 2cmlC1 ARG 2147 HG2 0.01 0.16 -0.04 -0.04 1.67 1.75 2cmlC1 ARG 2147 HG3 -0.05 0.09 -0.04 -0.04 1.67 1.64 2cmlC1 ARG 2147 HD2 0.04 -0.09 0.10 -0.04 3.22 3.23 2cmlC1 ARG 2147 HD3 0.14 -0.02 0.03 -0.04 3.22 3.34 2cmlC1 GLY 2148 H -0.03 0.09 -0.53 -0.55 8.43 7.41 2cmlC1 GLY 2148 HA2 0.02 0.05 0.41 -0.51 4.01 3.98 2cmlC1 GLY 2148 HA3 0.03 -0.04 0.26 -0.51 4.01 3.74 2cmlC1 ARG 2149 H -0.02 0.13 0.18 -0.55 8.46 8.19 2cmlC1 ARG 2149 HA -0.01 0.16 0.58 -0.75 4.34 4.32 2cmlC1 ARG 2149 HB2 -0.18 -0.04 0.13 -0.04 1.90 1.78 2cmlC1 ARG 2149 HB3 -0.14 0.03 0.07 -0.04 1.80 1.71 2cmlC1 ARG 2149 HG2 -0.02 0.03 0.08 -0.04 1.67 1.72 2cmlC1 ARG 2149 HG3 -0.02 0.04 0.08 -0.04 1.67 1.73 2cmlC1 ARG 2149 HD2 -0.04 -0.03 0.06 -0.04 3.22 3.17 2cmlC1 ARG 2149 HD3 -0.06 -0.00 0.04 -0.04 3.22 3.16 2cmlC1 HIS 2150 H -0.02 0.01 -0.22 -0.55 8.41 7.64 2cmlC1 HIS 2150 HA -0.00 0.17 0.54 -0.75 4.63 4.58 2cmlC1 HIS 2150 HB2 -0.05 -0.05 -0.01 -0.04 3.26 3.12 2cmlC1 HIS 2150 HB3 -0.06 0.11 0.10 -0.04 3.20 3.31 2cmlC1 HIS 2150 HD2 -0.05 -0.08 0.05 -0.04 6.97 6.84 2cmlC1 HIS 2150 HE1 -0.07 -0.00 -0.00 -0.04 7.75 7.63 2cmlC1 ALA 2151 H 0.05 0.38 -0.69 -0.55 8.40 7.60 2cmlC1 ALA 2151 HA 0.06 0.06 0.38 -0.75 4.34 4.09 2cmlC1 ALA 2151 HB3 0.01 0.02 0.01 -0.04 1.41 1.41 2cmlC1 ASN 2152 H 0.08 0.29 -0.38 -0.55 8.53 7.97 2cmlC1 ASN 2152 HA 0.11 -0.02 0.31 -0.75 4.76 4.41 2cmlC1 ASN 2152 HB2 0.06 -0.03 0.13 -0.04 2.88 3.00 2cmlC1 ASN 2152 HB3 0.03 0.15 0.21 -0.04 2.79 3.13 2cmlC1 ASN 2152 HD21 0.00 -0.05 -0.01 -0.04 7.03 6.93 2cmlC1 ASN 2152 HD22 -0.00 0.03 0.04 -0.04 7.74 7.76 2cmlC1 GLY 2153 H 0.07 0.58 0.36 -0.55 8.43 8.90 2cmlC1 GLY 2153 HA2 0.04 -0.05 0.40 -0.51 4.01 3.88 2cmlC1 GLY 2153 HA3 0.06 0.17 0.78 -0.51 4.01 4.52 2cmlC1 THR 2154 H 0.12 0.36 0.09 -0.55 8.28 8.31 2cmlC1 THR 2154 HA 0.12 0.18 0.35 -0.75 4.39 4.27 2cmlC1 THR 2154 HB 0.09 0.09 0.18 -0.04 4.32 4.63 2cmlC1 THR 2154 HG23 0.09 0.01 -0.08 -0.04 1.22 1.20 2cmlC1 ILE 2155 H 0.06 -0.01 -0.38 -0.55 8.25 7.37 2cmlC1 ILE 2155 HA 0.02 0.09 0.48 -0.75 4.18 4.03 2cmlC1 ILE 2155 HB -0.02 -0.05 -0.04 -0.04 1.89 1.73 2cmlC1 ILE 2155 HG12 -0.01 0.01 -0.09 -0.04 1.49 1.36 2cmlC1 ILE 2155 HG13 -0.03 0.10 -0.11 -0.04 1.21 1.12 2cmlC1 ILE 2155 HG23 0.01 -0.01 -0.10 -0.04 0.93 0.79 2cmlC1 ILE 2155 HD13 -0.05 -0.03 -0.11 -0.04 0.88 0.65 2cmlC1 HIS 2156 H 0.15 0.31 -0.21 -0.55 8.41 8.11 2cmlC1 HIS 2156 HA -0.03 -0.10 0.31 -0.75 4.63 4.05 2cmlC1 HIS 2156 HB2 0.01 0.01 0.13 -0.04 3.26 3.37 2cmlC1 HIS 2156 HB3 0.03 0.11 0.06 -0.04 3.20 3.36 2cmlC1 HIS 2156 HD2 0.04 -0.01 -0.04 -0.04 6.97 6.91 2cmlC1 HIS 2156 HE1 -0.09 -0.07 0.07 -0.04 7.75 7.61 2cmlC1 ASP 2157 H -0.07 0.03 0.18 -0.55 8.40 7.99 2cmlC1 ASP 2157 HA -0.07 0.21 0.45 -0.75 4.63 4.47 2cmlC1 ASP 2157 HB2 -0.17 -0.09 0.15 -0.04 2.71 2.56 2cmlC1 ASP 2157 HB3 -0.16 0.02 0.02 -0.04 2.70 2.54 2cmlC1 ARG 2158 H -0.79 0.08 -0.10 -0.55 8.46 7.10 2cmlC1 ARG 2158 HA -0.29 0.18 0.85 -0.75 4.34 4.33 2cmlC1 ARG 2158 HB2 -0.64 -0.07 0.05 -0.04 1.90 1.20 2cmlC1 ARG 2158 HB3 -1.27 0.02 -0.07 -0.04 1.80 0.44 2cmlC1 ARG 2158 HG2 -1.33 0.12 -0.18 -0.04 1.67 0.24 2cmlC1 ARG 2158 HG3 -0.58 -0.10 -0.35 -0.04 1.67 0.59 2cmlC1 ARG 2158 HD2 -1.97 0.01 -0.11 -0.04 3.22 1.11 2cmlC1 ARG 2158 HD3 -0.90 0.05 -0.09 -0.04 3.22 2.25 2cmlC1 SER 2159 H 0.09 0.38 0.19 -0.55 8.46 8.58 2cmlC1 SER 2159 HA -0.15 0.12 0.55 -0.75 4.49 4.26 2cmlC1 SER 2159 HB2 -0.24 0.03 0.08 -0.04 3.95 3.78 2cmlC1 SER 2159 HB3 -0.03 0.11 -0.26 -0.04 3.93 3.71 2cmlC1 PRO 2160 HA -0.13 0.10 0.57 -0.51 4.44 4.47 2cmlC1 PRO 2160 HB2 -0.38 0.06 0.01 -0.04 2.28 1.93 2cmlC1 PRO 2160 HB3 -0.14 0.01 0.12 -0.04 2.02 1.98 2cmlC1 PRO 2160 HG2 -0.32 0.05 0.05 -0.04 2.03 1.77 2cmlC1 PRO 2160 HG3 -0.16 0.01 0.04 -0.04 2.03 1.87 2cmlC1 PRO 2160 HD2 -1.26 0.15 0.16 -0.04 3.68 2.68 2cmlC1 PRO 2160 HD3 -0.29 0.11 0.15 -0.04 3.65 3.59 2cmlC1 PHE 2161 H -0.40 0.04 -0.62 -0.55 8.34 6.81 2cmlC1 PHE 2161 HA 0.00 0.16 0.62 -0.75 4.62 4.65 2cmlC1 PHE 2161 HB2 0.01 0.18 -0.10 -0.04 3.15 3.20 2cmlC1 PHE 2161 HB3 -0.02 0.03 0.08 -0.04 3.06 3.10 2cmlC1 PHE 2161 HD2 0.02 0.10 -0.16 -0.04 7.28 7.20 2cmlC1 PHE 2161 HE2 0.04 0.00 -0.03 -0.04 7.38 7.35 2cmlC1 PHE 2161 HZ 0.04 -0.02 -0.01 -0.04 7.32 7.29 2cmlC1 ARG 2162 H 0.04 0.14 -0.25 -0.55 8.46 7.84 2cmlC1 ARG 2162 HA 0.06 0.23 0.60 -0.75 4.34 4.48 2cmlC1 ARG 2162 HB2 0.10 -0.05 -0.05 -0.04 1.90 1.87 2cmlC1 ARG 2162 HB3 0.08 0.11 0.13 -0.04 1.80 2.08 2cmlC1 ARG 2162 HG2 0.09 0.01 -0.13 -0.04 1.67 1.59 2cmlC1 ARG 2162 HG3 0.09 -0.19 -0.03 -0.04 1.67 1.50 2cmlC1 ARG 2162 HD2 0.04 0.03 -0.16 -0.04 3.22 3.09 2cmlC1 ARG 2162 HD3 0.18 -0.06 0.09 -0.04 3.22 3.39 2cmlC1 ALA 2163 H 0.02 0.37 0.29 -0.55 8.40 8.53 2cmlC1 ALA 2163 HA -0.05 -0.11 0.80 -0.75 4.34 4.23 2cmlC1 ALA 2163 HB3 -0.05 0.03 -0.06 -0.04 1.41 1.29 2cmlC1 LEU 2164 H -0.07 0.32 0.15 -0.55 8.37 8.23 2cmlC1 LEU 2164 HA 0.03 0.29 1.03 -0.75 4.35 4.94 2cmlC1 LEU 2164 HB2 0.04 0.03 -0.06 -0.04 1.64 1.60 2cmlC1 LEU 2164 HB3 -0.05 -0.09 0.04 -0.04 1.64 1.50 2cmlC1 LEU 2164 HG 0.05 -0.04 -0.39 -0.04 1.64 1.23 2cmlC1 LEU 2164 HD13 0.15 0.06 -0.15 -0.04 0.93 0.95 2cmlC1 LEU 2164 HD23 0.15 -0.02 -0.22 -0.04 0.89 0.76 2cmlC1 ILE 2165 H 0.02 0.62 0.36 -0.55 8.25 8.71 2cmlC1 ILE 2165 HA -0.08 0.32 1.03 -0.75 4.18 4.70 2cmlC1 ILE 2165 HB 0.04 -0.01 -0.08 -0.04 1.89 1.80 2cmlC1 ILE 2165 HG12 0.01 -0.02 -0.01 -0.04 1.49 1.44 2cmlC1 ILE 2165 HG13 0.19 -0.03 0.03 -0.04 1.21 1.36 2cmlC1 ILE 2165 HG23 -0.06 -0.00 -0.28 -0.04 0.93 0.55 2cmlC1 ILE 2165 HD13 -0.14 -0.01 -0.19 -0.04 0.88 0.50 2cmlC1 SER 2166 H -0.16 0.53 0.33 -0.55 8.46 8.62 2cmlC1 SER 2166 HA -0.84 0.36 1.02 -0.75 4.49 4.27 2cmlC1 SER 2166 HB2 -1.39 0.04 0.02 -0.04 3.95 2.58 2cmlC1 SER 2166 HB3 -1.27 -0.04 -0.14 -0.04 3.93 2.45 2cmlC1 TRP 2167 H -0.81 0.60 0.29 -0.55 7.97 7.50 2cmlC1 TRP 2167 HA -0.20 0.18 0.65 -0.75 4.62 4.50 2cmlC1 TRP 2167 HB2 -0.13 0.03 0.10 -0.04 3.23 3.18 2cmlC1 TRP 2167 HB3 -0.17 0.01 -0.13 -0.04 3.23 2.89 2cmlC1 TRP 2167 HD1 -0.10 0.11 -0.24 -0.04 7.22 6.94 2cmlC1 TRP 2167 HE1 -0.10 0.25 -0.09 -0.04 10.20 10.23 2cmlC1 TRP 2167 HE3 -0.24 -0.06 -0.59 -0.04 7.59 6.65 2cmlC1 TRP 2167 HZ2 -0.11 -0.06 -0.14 -0.04 7.44 7.09 2cmlC1 TRP 2167 HZ3 -0.19 0.03 -0.34 -0.04 7.13 6.59 2cmlC1 TRP 2167 HH2 -0.13 0.02 -0.30 -0.04 7.19 6.73 2cmlC1 GLU 2168 H 0.09 0.20 0.14 -0.55 8.60 8.49 2cmlC1 GLU 2168 HA -0.11 0.07 0.59 -0.75 4.29 4.08 2cmlC1 GLU 2168 HB2 -0.00 0.01 0.14 -0.04 2.09 2.20 2cmlC1 GLU 2168 HB3 0.05 -0.03 0.09 -0.04 1.99 2.06 2cmlC1 GLU 2168 HG2 -0.01 0.16 -0.09 -0.04 2.34 2.35 2cmlC1 GLU 2168 HG3 -0.04 -0.01 0.07 -0.04 2.34 2.32 2cmlC1 MET 2169 H -0.13 0.33 0.31 -0.55 8.47 8.43 2cmlC1 MET 2169 HA -0.24 -0.05 0.17 -0.75 4.52 3.65 2cmlC1 MET 2169 HB2 -0.15 0.10 -0.12 -0.04 2.15 1.93 2cmlC1 MET 2169 HB3 -0.07 0.02 0.07 -0.04 2.03 2.01 2cmlC1 MET 2169 HG2 -0.07 0.02 -0.27 -0.04 2.63 2.28 2cmlC1 MET 2169 HG3 -0.16 -0.05 -0.17 -0.04 2.56 2.14 2cmlC1 MET 2169 HE3 -0.00 0.02 -0.06 -0.04 2.10 2.02 2cmlC1 GLY 2170 H 0.02 0.11 0.04 -0.55 8.43 8.04 2cmlC1 GLY 2170 HA2 0.04 -0.09 0.26 -0.51 4.01 3.70 2cmlC1 GLY 2170 HA3 0.03 0.17 0.65 -0.51 4.01 4.36 2cmlC1 GLN 2171 H 0.16 0.35 -0.37 -0.55 8.47 8.06 2cmlC1 GLN 2171 HA 0.07 0.05 0.60 -0.75 4.36 4.32 2cmlC1 GLN 2171 HB2 0.35 0.10 0.01 -0.04 2.15 2.57 2cmlC1 GLN 2171 HB3 0.04 0.04 0.04 -0.04 2.02 2.11 2cmlC1 GLN 2171 HG2 0.05 -0.02 0.01 -0.04 2.40 2.40 2cmlC1 GLN 2171 HG3 0.08 0.05 -0.07 -0.04 2.39 2.41 2cmlC1 GLN 2171 HE21 0.03 -0.01 0.01 -0.04 6.97 6.95 2cmlC1 GLN 2171 HE22 0.03 0.01 -0.01 -0.04 7.69 7.67 2cmlC1 ALA 2172 H -0.05 0.09 0.13 -0.55 8.40 8.02 2cmlC1 ALA 2172 HA -0.16 0.09 0.70 -0.75 4.34 4.23 2cmlC1 ALA 2172 HB3 -0.12 0.05 0.03 -0.04 1.41 1.33 2cmlC1 PRO 2173 HA -1.12 0.08 0.51 -0.51 4.44 3.41 2cmlC1 PRO 2173 HB2 -0.78 0.01 -0.10 -0.04 2.28 1.38 2cmlC1 PRO 2173 HB3 -2.39 0.03 -0.11 -0.04 2.02 -0.49 2cmlC1 PRO 2173 HG2 -0.55 0.15 0.07 -0.04 2.03 1.66 2cmlC1 PRO 2173 HG3 -1.02 0.03 -0.07 -0.04 2.03 0.94 2cmlC1 PRO 2173 HD2 -0.40 0.04 0.16 -0.04 3.68 3.44 2cmlC1 PRO 2173 HD3 -0.64 0.12 0.09 -0.04 3.65 3.19 2cmlC1 SER 2174 H -0.38 0.14 0.18 -0.55 8.46 7.85 2cmlC1 SER 2174 HA -0.33 0.22 0.93 -0.75 4.49 4.56 2cmlC1 SER 2174 HB2 -0.35 0.26 0.21 -0.04 3.95 4.03 2cmlC1 SER 2174 HB3 -0.20 0.01 -0.12 -0.04 3.93 3.59 2cmlC1 PRO 2175 HA -0.24 0.12 0.53 -0.51 4.44 4.34 2cmlC1 PRO 2175 HB2 -0.76 0.03 0.01 -0.04 2.28 1.51 2cmlC1 PRO 2175 HB3 -0.23 0.06 0.09 -0.04 2.02 1.89 2cmlC1 PRO 2175 HG2 -0.40 0.02 0.02 -0.04 2.03 1.63 2cmlC1 PRO 2175 HG3 -0.28 0.02 -0.03 -0.04 2.03 1.70 2cmlC1 PRO 2175 HD2 -0.87 0.14 0.26 -0.04 3.68 3.17 2cmlC1 PRO 2175 HD3 -0.36 0.19 0.15 -0.04 3.65 3.58 2cmlC1 TYR 2176 H -0.29 -0.08 -0.56 -0.55 8.29 6.80 2cmlC1 TYR 2176 HA -0.06 0.24 0.36 -0.75 4.56 4.35 2cmlC1 TYR 2176 HB2 -0.05 -0.00 -0.05 -0.04 3.06 2.91 2cmlC1 TYR 2176 HB3 -0.04 0.04 0.05 -0.04 2.98 2.99 2cmlC1 TYR 2176 HD2 -0.04 0.06 -0.14 -0.04 7.15 6.99 2cmlC1 TYR 2176 HE2 0.01 -0.00 -0.00 -0.04 6.85 6.81 2cmlC1 ASN 2177 H -0.08 0.05 -0.09 -0.55 8.53 7.87 2cmlC1 ASN 2177 HA 0.01 0.24 0.81 -0.75 4.76 5.07 2cmlC1 ASN 2177 HB2 0.02 -0.01 0.19 -0.04 2.88 3.03 2cmlC1 ASN 2177 HB3 0.01 -0.00 -0.07 -0.04 2.79 2.69 2cmlC1 ASN 2177 HD21 -0.22 0.30 -0.03 -0.04 7.03 7.04 2cmlC1 ASN 2177 HD22 0.01 -0.04 0.02 -0.04 7.74 7.69 2cmlC1 THR 2178 H -0.06 0.19 -0.12 -0.55 8.28 7.74 2cmlC1 THR 2178 HA 0.04 0.26 0.82 -0.75 4.39 4.75 2cmlC1 THR 2178 HB -0.05 0.02 -0.14 -0.04 4.32 4.11 2cmlC1 THR 2178 HG23 -0.20 -0.05 -0.20 -0.04 1.22 0.72 2cmlC1 ARG 2179 H -0.05 0.67 0.34 -0.55 8.46 8.86 2cmlC1 ARG 2179 HA -0.07 0.15 0.87 -0.75 4.34 4.54 2cmlC1 ARG 2179 HB2 -0.08 0.00 0.02 -0.04 1.90 1.80 2cmlC1 ARG 2179 HB3 -0.14 -0.07 0.07 -0.04 1.80 1.62 2cmlC1 ARG 2179 HG2 -0.13 0.11 -0.38 -0.04 1.67 1.23 2cmlC1 ARG 2179 HG3 -0.08 0.02 -0.02 -0.04 1.67 1.55 2cmlC1 ARG 2179 HD2 -0.11 -0.07 -0.14 -0.04 3.22 2.87 2cmlC1 ARG 2179 HD3 -0.08 0.03 -0.12 -0.04 3.22 3.01 2cmlC1 VAL 2180 H -0.10 0.17 0.06 -0.55 8.24 7.82 2cmlC1 VAL 2180 HA -0.13 0.17 0.85 -0.75 4.13 4.27 2cmlC1 VAL 2180 HB -0.13 -0.01 0.10 -0.04 2.12 2.04 2cmlC1 VAL 2180 HG13 -0.17 0.00 -0.21 -0.04 0.97 0.56 2cmlC1 VAL 2180 HG23 -0.08 0.01 -0.08 -0.04 0.95 0.76 2cmlC1 GLU 2181 H -0.18 0.79 0.31 -0.55 8.60 8.97 2cmlC1 GLU 2181 HA -0.29 0.03 0.37 -0.75 4.29 3.64 2cmlC1 GLU 2181 HB2 -0.10 0.04 -0.08 -0.04 2.09 1.91 2cmlC1 GLU 2181 HB3 -0.12 -0.07 -0.13 -0.04 1.99 1.63 2cmlC1 GLU 2181 HG2 -0.16 0.04 -0.24 -0.04 2.34 1.94 2cmlC1 GLU 2181 HG3 0.13 -0.02 -0.25 -0.04 2.34 2.16 2cmlC1 CYS 2182 H -0.29 0.40 0.16 -0.55 8.50 8.22 2cmlC1 CYS 2182 HA -0.76 0.10 0.28 -0.75 4.58 3.46 2cmlC1 CYS 2182 HB2 -0.15 -0.01 0.05 -0.04 2.97 2.82 2cmlC1 CYS 2182 HB3 -1.26 0.20 0.03 -0.04 2.97 1.89 2cmlC1 ILE 2183 H -0.03 0.19 0.10 -0.55 8.25 7.96 2cmlC1 ILE 2183 HA -0.08 0.15 1.01 -0.75 4.18 4.50 2cmlC1 ILE 2183 HB -0.01 -0.04 0.08 -0.04 1.89 1.88 2cmlC1 ILE 2183 HG12 -0.02 -0.15 -0.09 -0.04 1.49 1.19 2cmlC1 ILE 2183 HG13 0.03 0.02 -0.03 -0.04 1.21 1.19 2cmlC1 ILE 2183 HG23 -0.04 0.03 -0.02 -0.04 0.93 0.86 2cmlC1 ILE 2183 HD13 -0.04 0.03 -0.14 -0.04 0.88 0.69 2cmlC1 GLY 2184 H -0.10 0.42 0.09 -0.55 8.43 8.30 2cmlC1 GLY 2184 HA2 -0.46 -0.04 0.34 -0.51 4.01 3.34 2cmlC1 GLY 2184 HA3 -0.40 0.17 0.47 -0.51 4.01 3.74 2cmlC1 TRP 2185 H -0.93 0.53 0.37 -0.55 7.97 7.38 2cmlC1 TRP 2185 HA -0.01 0.20 0.88 -0.75 4.62 4.93 2cmlC1 TRP 2185 HB2 -0.05 0.15 0.24 -0.04 3.23 3.52 2cmlC1 TRP 2185 HB3 -0.07 0.00 0.13 -0.04 3.23 3.25 2cmlC1 TRP 2185 HD1 -0.11 0.06 0.04 -0.04 7.22 7.17 2cmlC1 TRP 2185 HE1 -0.08 0.05 -0.01 -0.04 10.20 10.12 2cmlC1 TRP 2185 HE3 -0.02 0.03 -0.58 -0.04 7.59 6.98 2cmlC1 TRP 2185 HZ2 -0.06 0.09 -0.47 -0.04 7.44 6.96 2cmlC1 TRP 2185 HZ3 -0.05 0.15 -0.10 -0.04 7.13 7.10 2cmlC1 TRP 2185 HH2 -0.07 -0.07 -0.17 -0.04 7.19 6.84 2cmlC1 SER 2186 H -0.13 0.23 0.23 -0.55 8.46 8.24 2cmlC1 SER 2186 HA 0.20 0.18 0.44 -0.75 4.49 4.55 2cmlC1 SER 2186 HB2 0.53 0.17 0.04 -0.04 3.95 4.65 2cmlC1 SER 2186 HB3 0.08 -0.06 0.13 -0.04 3.93 4.04 2cmlC1 SER 2187 H 0.09 0.25 0.14 -0.55 8.46 8.40 2cmlC1 SER 2187 HA 0.01 0.28 0.95 -0.75 4.49 4.97 2cmlC1 SER 2187 HB2 0.07 0.16 0.05 -0.04 3.95 4.19 2cmlC1 SER 2187 HB3 0.06 -0.06 -0.39 -0.04 3.93 3.50 2cmlC1 THR 2188 H -0.00 0.40 0.30 -0.55 8.28 8.43 2cmlC1 THR 2188 HA -0.18 0.24 0.33 -0.75 4.39 4.02 2cmlC1 THR 2188 HB -0.06 -0.15 0.12 -0.04 4.32 4.20 2cmlC1 THR 2188 HG23 -0.04 -0.01 -0.14 -0.04 1.22 1.00 2cmlC1 SER 2189 H -0.12 0.34 0.10 -0.55 8.46 8.24 2cmlC1 SER 2189 HA -0.01 0.22 0.48 -0.75 4.49 4.42 2cmlC1 SER 2189 HB2 0.03 0.04 -0.07 -0.04 3.95 3.91 2cmlC1 SER 2189 HB3 -0.41 -0.04 -0.11 -0.04 3.93 3.32 2cmlC1 CYS 2190 H 0.02 0.73 0.32 -0.55 8.50 9.03 2cmlC1 CYS 2190 HA 0.08 0.07 0.39 -0.75 4.58 4.36 2cmlC1 CYS 2190 HB2 0.14 0.05 -0.07 -0.04 2.97 3.05 2cmlC1 CYS 2190 HB3 0.06 0.23 0.14 -0.04 2.97 3.36 2cmlC1 HIS 2191 H 0.32 0.28 0.20 -0.55 8.41 8.66 2cmlC1 HIS 2191 HA 0.10 0.20 0.92 -0.75 4.63 5.10 2cmlC1 HIS 2191 HB2 -0.04 0.10 0.07 -0.04 3.26 3.35 2cmlC1 HIS 2191 HB3 -0.03 0.05 0.16 -0.04 3.20 3.34 2cmlC1 HIS 2191 HD2 -0.10 0.02 -0.19 -0.04 6.97 6.66 2cmlC1 HIS 2191 HE1 -0.09 0.24 -0.73 -0.04 7.75 7.13 2cmlC1 ASP 2192 H -0.08 0.56 0.26 -0.55 8.40 8.59 2cmlC1 ASP 2192 HA 0.31 0.27 0.78 -0.75 4.63 5.23 2cmlC1 ASP 2192 HB2 0.18 -0.06 0.13 -0.04 2.71 2.91 2cmlC1 ASP 2192 HB3 0.17 0.08 -0.06 -0.04 2.70 2.84 2cmlC1 GLY 2193 H 0.84 0.12 -0.31 -0.55 8.43 8.53 2cmlC1 GLY 2193 HA2 0.62 0.04 0.32 -0.51 4.01 4.48 2cmlC1 GLY 2193 HA3 0.52 0.25 0.88 -0.51 4.01 5.14 2cmlC1 MET 2194 H 0.21 -0.10 -0.39 -0.55 8.47 7.64 2cmlC1 MET 2194 HA 0.07 0.30 0.83 -0.75 4.52 4.96 2cmlC1 MET 2194 HB2 0.19 -0.11 -0.01 -0.04 2.15 2.18 2cmlC1 MET 2194 HB3 0.01 0.07 -0.10 -0.04 2.03 1.97 2cmlC1 MET 2194 HG2 -0.17 -0.07 -0.61 -0.04 2.63 1.74 2cmlC1 MET 2194 HG3 -0.66 0.01 -0.17 -0.04 2.56 1.70 2cmlC1 MET 2194 HE3 -0.13 -0.00 -0.07 -0.04 2.10 1.86 2cmlC1 SER 2195 H -0.14 0.05 0.14 -0.55 8.46 7.97 2cmlC1 SER 2195 HA -0.35 0.25 0.59 -0.75 4.49 4.22 2cmlC1 SER 2195 HB2 -1.21 -0.01 -0.10 -0.04 3.95 2.58 2cmlC1 SER 2195 HB3 -0.54 -0.12 0.17 -0.04 3.93 3.39 2cmlC1 ARG 2196 H -0.27 0.18 0.17 -0.55 8.46 7.98 2cmlC1 ARG 2196 HA -0.08 0.18 0.80 -0.75 4.34 4.48 2cmlC1 ARG 2196 HB2 0.17 -0.01 -0.07 -0.04 1.90 1.94 2cmlC1 ARG 2196 HB3 0.01 -0.03 0.06 -0.04 1.80 1.80 2cmlC1 ARG 2196 HG2 0.08 0.00 -0.41 -0.04 1.67 1.30 2cmlC1 ARG 2196 HG3 0.09 0.08 -0.25 -0.04 1.67 1.54 2cmlC1 ARG 2196 HD2 0.15 -0.00 -0.16 -0.04 3.22 3.16 2cmlC1 ARG 2196 HD3 0.31 0.03 -0.21 -0.04 3.22 3.31 2cmlC1 MET 2197 H 0.08 0.78 0.46 -0.55 8.47 9.24 2cmlC1 MET 2197 HA 0.18 0.39 1.14 -0.75 4.52 5.48 2cmlC1 MET 2197 HB2 0.26 -0.11 0.07 -0.04 2.15 2.33 2cmlC1 MET 2197 HB3 0.08 -0.02 0.13 -0.04 2.03 2.18 2cmlC1 MET 2197 HG2 -0.08 -0.03 -0.31 -0.04 2.63 2.17 2cmlC1 MET 2197 HG3 0.01 0.20 0.02 -0.04 2.56 2.75 2cmlC1 MET 2197 HE3 -0.05 0.01 -0.17 -0.04 2.10 1.85 2cmlC1 SER 2198 H 0.14 0.57 0.23 -0.55 8.46 8.86 2cmlC1 SER 2198 HA 0.03 0.17 0.91 -0.75 4.49 4.85 2cmlC1 SER 2198 HB2 0.01 0.03 -0.02 -0.04 3.95 3.92 2cmlC1 SER 2198 HB3 -0.03 0.04 -0.11 -0.04 3.93 3.78 2cmlC1 ILE 2199 H 0.01 0.64 0.28 -0.55 8.25 8.63 2cmlC1 ILE 2199 HA 0.10 0.40 1.14 -0.75 4.18 5.06 2cmlC1 ILE 2199 HB -0.04 -0.13 0.02 -0.04 1.89 1.70 2cmlC1 ILE 2199 HG12 -0.22 0.02 -0.15 -0.04 1.49 1.10 2cmlC1 ILE 2199 HG13 -0.14 -0.11 -0.49 -0.04 1.21 0.43 2cmlC1 ILE 2199 HG23 -0.01 0.01 -0.30 -0.04 0.93 0.58 2cmlC1 ILE 2199 HD13 -0.45 -0.00 -0.19 -0.04 0.88 0.20 2cmlC1 CYS 2200 H 0.05 0.51 0.31 -0.55 8.50 8.83 2cmlC1 CYS 2200 HA -0.08 0.34 0.94 -0.75 4.58 5.03 2cmlC1 CYS 2200 HB2 -0.03 -0.05 -0.03 -0.04 2.97 2.82 2cmlC1 CYS 2200 HB3 -0.16 0.17 -0.47 -0.04 2.97 2.47 2cmlC1 MET 2201 H -0.28 0.49 0.32 -0.55 8.47 8.46 2cmlC1 MET 2201 HA -0.32 0.38 1.07 -0.75 4.52 4.90 2cmlC1 MET 2201 HB2 -0.52 -0.10 0.11 -0.04 2.15 1.61 2cmlC1 MET 2201 HB3 -0.66 0.08 -0.06 -0.04 2.03 1.35 2cmlC1 MET 2201 HG2 -0.10 0.10 -0.59 -0.04 2.63 2.00 2cmlC1 MET 2201 HG3 -0.16 -0.03 -0.35 -0.04 2.56 1.99 2cmlC1 MET 2201 HE3 -0.00 0.00 -0.35 -0.04 2.10 1.71 2cmlC1 SER 2202 H -0.47 0.55 0.43 -0.55 8.46 8.42 2cmlC1 SER 2202 HA -1.71 0.07 0.66 -0.75 4.49 2.76 2cmlC1 SER 2202 HB2 -0.27 -0.06 0.11 -0.04 3.95 3.69 2cmlC1 SER 2202 HB3 -0.42 0.16 -0.11 -0.04 3.93 3.51 2cmlC1 GLY 2203 H 0.17 0.14 0.11 -0.55 8.43 8.30 2cmlC1 GLY 2203 HA2 0.09 0.02 0.29 -0.51 4.01 3.90 2cmlC1 GLY 2203 HA3 0.10 0.25 0.81 -0.51 4.01 4.66 2cmlC1 PRO 2204 HA 0.06 0.14 0.53 -0.51 4.44 4.67 2cmlC1 PRO 2204 HB2 0.03 -0.08 0.02 -0.04 2.28 2.20 2cmlC1 PRO 2204 HB3 0.03 0.08 0.07 -0.04 2.02 2.17 2cmlC1 PRO 2204 HG2 0.04 -0.04 -0.04 -0.04 2.03 1.95 2cmlC1 PRO 2204 HG3 0.03 0.09 0.03 -0.04 2.03 2.14 2cmlC1 PRO 2204 HD2 0.07 0.46 0.05 -0.04 3.68 4.22 2cmlC1 PRO 2204 HD3 0.06 0.12 0.13 -0.04 3.65 3.92 2cmlC1 ASN 2205 H -0.04 0.18 0.10 -0.55 8.53 8.23 2cmlC1 ASN 2205 HA -0.07 0.06 0.47 -0.75 4.76 4.46 2cmlC1 ASN 2205 HB2 -0.04 -0.01 0.12 -0.04 2.88 2.90 2cmlC1 ASN 2205 HB3 -0.07 0.04 0.05 -0.04 2.79 2.77 2cmlC1 ASN 2205 HD21 -0.10 0.04 0.03 -0.04 7.03 6.96 2cmlC1 ASN 2205 HD22 -0.07 0.01 0.03 -0.04 7.74 7.67 2cmlC1 ASN 2206 H 0.00 0.07 -0.29 -0.55 8.53 7.76 2cmlC1 ASN 2206 HA -0.01 0.33 0.40 -0.75 4.76 4.73 2cmlC1 ASN 2206 HB2 -0.00 0.04 0.20 -0.04 2.88 3.07 2cmlC1 ASN 2206 HB3 -0.01 0.01 0.06 -0.04 2.79 2.81 2cmlC1 ASN 2206 HD21 0.00 -0.01 -0.01 -0.04 7.03 6.97 2cmlC1 ASN 2206 HD22 -0.00 0.03 0.02 -0.04 7.74 7.75 2cmlC1 ASN 2207 H 0.04 0.41 -0.54 -0.55 8.53 7.89 2cmlC1 ASN 2207 HA 0.01 0.08 0.57 -0.75 4.76 4.66 2cmlC1 ASN 2207 HB2 0.02 -0.10 -0.44 -0.04 2.88 2.31 2cmlC1 ASN 2207 HB3 0.02 -0.02 0.16 -0.04 2.79 2.91 2cmlC1 ASN 2207 HD21 0.01 -0.01 0.02 -0.04 7.03 7.02 2cmlC1 ASN 2207 HD22 0.01 -0.05 -0.01 -0.04 7.74 7.65 2cmlC1 ALA 2208 H 0.03 -0.03 0.05 -0.55 8.40 7.91 2cmlC1 ALA 2208 HA 0.08 0.23 0.66 -0.75 4.34 4.56 2cmlC1 ALA 2208 HB3 0.21 -0.02 -0.01 -0.04 1.41 1.54 2cmlC1 SER 2209 H -0.12 0.57 0.44 -0.55 8.46 8.80 2cmlC1 SER 2209 HA -0.06 0.15 0.79 -0.75 4.49 4.62 2cmlC1 SER 2209 HB2 -0.02 0.02 -0.06 -0.04 3.95 3.86 2cmlC1 SER 2209 HB3 -0.02 0.02 -0.13 -0.04 3.93 3.76 2cmlC1 ALA 2210 H -0.03 0.60 0.31 -0.55 8.40 8.73 2cmlC1 ALA 2210 HA -0.10 0.28 1.03 -0.75 4.34 4.80 2cmlC1 ALA 2210 HB3 0.01 -0.03 -0.08 -0.04 1.41 1.28 2cmlC1 VAL 2211 H 0.01 0.75 0.40 -0.55 8.24 8.85 2cmlC1 VAL 2211 HA -0.01 0.26 1.07 -0.75 4.13 4.69 2cmlC1 VAL 2211 HB 0.27 -0.04 0.17 -0.04 2.12 2.48 2cmlC1 VAL 2211 HG13 -0.28 0.01 -0.05 -0.04 0.97 0.61 2cmlC1 VAL 2211 HG23 0.01 0.01 -0.05 -0.04 0.95 0.87 2cmlC1 VAL 2212 H -0.05 0.73 0.25 -0.55 8.24 8.62 2cmlC1 VAL 2212 HA 0.03 0.16 0.96 -0.75 4.13 4.53 2cmlC1 VAL 2212 HB -0.05 0.00 0.17 -0.04 2.12 2.20 2cmlC1 VAL 2212 HG13 -0.41 -0.01 -0.17 -0.04 0.97 0.34 2cmlC1 VAL 2212 HG23 -0.03 -0.00 -0.21 -0.04 0.95 0.67 2cmlC1 TRP 2213 H 0.32 0.71 0.40 -0.55 7.97 8.85 2cmlC1 TRP 2213 HA 0.02 0.16 0.78 -0.75 4.62 4.82 2cmlC1 TRP 2213 HB2 -0.01 0.02 0.16 -0.04 3.23 3.37 2cmlC1 TRP 2213 HB3 -0.00 -0.08 -0.15 -0.04 3.23 2.96 2cmlC1 TRP 2213 HD1 -0.04 0.19 -0.08 -0.04 7.22 7.24 2cmlC1 TRP 2213 HE1 -0.04 -0.06 -0.01 -0.04 10.20 10.04 2cmlC1 TRP 2213 HE3 -0.01 -0.16 -0.76 -0.04 7.59 6.63 2cmlC1 TRP 2213 HZ2 -0.02 -0.06 -0.02 -0.04 7.44 7.29 2cmlC1 TRP 2213 HZ3 -0.01 0.20 -0.05 -0.04 7.13 7.23 2cmlC1 TRP 2213 HH2 -0.01 -0.02 -0.04 -0.04 7.19 7.07 2cmlC1 TYR 2214 H 0.22 0.82 0.26 -0.55 8.29 9.04 2cmlC1 TYR 2214 HA 0.07 0.24 0.88 -0.75 4.56 5.00 2cmlC1 TYR 2214 HB2 0.03 -0.03 -0.41 -0.04 3.06 2.60 2cmlC1 TYR 2214 HB3 0.03 0.13 -0.08 -0.04 2.98 3.03 2cmlC1 TYR 2214 HD2 0.03 0.08 -0.17 -0.04 7.15 7.05 2cmlC1 TYR 2214 HE2 0.04 0.03 -0.11 -0.04 6.85 6.77 2cmlC1 GLY 2215 H -0.35 0.39 0.20 -0.55 8.43 8.11 2cmlC1 GLY 2215 HA2 -0.21 -0.07 0.37 -0.51 4.01 3.59 2cmlC1 GLY 2215 HA3 -0.19 0.12 0.41 -0.51 4.01 3.84 2cmlC1 GLY 2216 H 0.07 0.05 -0.19 -0.55 8.43 7.81 2cmlC1 GLY 2216 HA2 0.18 0.04 0.21 -0.51 4.01 3.93 2cmlC1 GLY 2216 HA3 0.10 0.09 0.54 -0.51 4.01 4.23 2cmlC1 ARG 2217 H 0.20 0.30 -0.35 -0.55 8.46 8.07 2cmlC1 ARG 2217 HA 0.08 0.20 0.85 -0.75 4.34 4.71 2cmlC1 ARG 2217 HB2 0.04 0.05 0.03 -0.04 1.90 1.98 2cmlC1 ARG 2217 HB3 -0.04 0.07 -0.00 -0.04 1.80 1.78 2cmlC1 ARG 2217 HG2 0.06 0.03 -0.08 -0.04 1.67 1.64 2cmlC1 ARG 2217 HG3 0.06 0.06 -0.24 -0.04 1.67 1.51 2cmlC1 ARG 2217 HD2 0.03 -0.02 -0.02 -0.04 3.22 3.17 2cmlC1 ARG 2217 HD3 0.01 0.01 -0.02 -0.04 3.22 3.18 2cmlC1 PRO 2218 HA -1.02 0.04 0.56 -0.51 4.44 3.51 2cmlC1 PRO 2218 HB2 -0.59 0.04 -0.03 -0.04 2.28 1.66 2cmlC1 PRO 2218 HB3 -1.62 0.01 0.04 -0.04 2.02 0.41 2cmlC1 PRO 2218 HG2 -0.36 0.04 0.11 -0.04 2.03 1.78 2cmlC1 PRO 2218 HG3 -0.52 0.03 0.06 -0.04 2.03 1.56 2cmlC1 PRO 2218 HD2 -0.28 0.09 0.23 -0.04 3.68 3.68 2cmlC1 PRO 2218 HD3 -0.99 0.16 0.13 -0.04 3.65 2.91 2cmlC1 ILE 2219 H -0.26 0.62 0.49 -0.55 8.25 8.55 2cmlC1 ILE 2219 HA -0.09 0.17 0.96 -0.75 4.18 4.47 2cmlC1 ILE 2219 HB -0.02 0.07 0.08 -0.04 1.89 1.98 2cmlC1 ILE 2219 HG12 0.02 0.02 0.01 -0.04 1.49 1.50 2cmlC1 ILE 2219 HG13 0.11 -0.06 -0.10 -0.04 1.21 1.12 2cmlC1 ILE 2219 HG23 -0.01 0.01 -0.12 -0.04 0.93 0.77 2cmlC1 ILE 2219 HD13 0.05 0.03 -0.14 -0.04 0.88 0.79 2cmlC1 THR 2220 H -0.12 0.33 0.38 -0.55 8.28 8.33 2cmlC1 THR 2220 HA -0.02 0.17 0.88 -0.75 4.39 4.67 2cmlC1 THR 2220 HB 0.08 -0.07 0.04 -0.04 4.32 4.33 2cmlC1 THR 2220 HG23 0.10 -0.01 -0.03 -0.04 1.22 1.24 2cmlC1 GLU 2221 H 0.01 0.28 0.22 -0.55 8.60 8.56 2cmlC1 GLU 2221 HA -0.00 0.31 0.96 -0.75 4.29 4.81 2cmlC1 GLU 2221 HB2 -0.00 -0.02 0.08 -0.04 2.09 2.10 2cmlC1 GLU 2221 HB3 -0.01 0.03 0.03 -0.04 1.99 2.00 2cmlC1 GLU 2221 HG2 -0.04 0.00 -0.07 -0.04 2.34 2.19 2cmlC1 GLU 2221 HG3 -0.07 0.07 -0.21 -0.04 2.34 2.09 2cmlC1 ILE 2222 H 0.04 0.58 0.25 -0.55 8.25 8.57 2cmlC1 ILE 2222 HA 0.10 0.25 0.99 -0.75 4.18 4.77 2cmlC1 ILE 2222 HB 0.16 -0.12 0.05 -0.04 1.89 1.94 2cmlC1 ILE 2222 HG12 0.16 0.09 -0.17 -0.04 1.49 1.52 2cmlC1 ILE 2222 HG13 0.16 -0.09 -0.46 -0.04 1.21 0.77 2cmlC1 ILE 2222 HG23 0.35 0.05 -0.09 -0.04 0.93 1.19 2cmlC1 ILE 2222 HD13 0.33 -0.01 -0.16 -0.04 0.88 0.99 2cmlC1 PRO 2223 HA 0.01 0.11 0.75 -0.51 4.44 4.80 2cmlC1 PRO 2223 HB2 0.06 0.16 -0.03 -0.04 2.28 2.42 2cmlC1 PRO 2223 HB3 0.03 0.02 0.08 -0.04 2.02 2.11 2cmlC1 PRO 2223 HG2 0.09 0.05 0.01 -0.04 2.03 2.13 2cmlC1 PRO 2223 HG3 0.05 0.03 0.03 -0.04 2.03 2.10 2cmlC1 PRO 2223 HD2 0.13 0.08 0.18 -0.04 3.68 4.02 2cmlC1 PRO 2223 HD3 0.07 0.19 0.10 -0.04 3.65 3.96 2cmlC1 SER 2224 H -0.04 0.46 0.25 -0.55 8.46 8.58 2cmlC1 SER 2224 HA -0.39 -0.04 0.48 -0.75 4.49 3.80 2cmlC1 SER 2224 HB2 -0.09 0.16 0.17 -0.04 3.95 4.14 2cmlC1 SER 2224 HB3 -0.05 0.10 0.13 -0.04 3.93 4.07 2cmlC1 TRP 2225 H -0.65 0.12 0.16 -0.55 7.97 7.06 2cmlC1 TRP 2225 HA 0.01 0.25 0.79 -0.75 4.62 4.92 2cmlC1 TRP 2225 HB2 0.01 0.02 0.09 -0.04 3.23 3.30 2cmlC1 TRP 2225 HB3 0.01 0.07 0.02 -0.04 3.23 3.29 2cmlC1 TRP 2225 HD1 0.01 0.01 -0.20 -0.04 7.22 7.00 2cmlC1 TRP 2225 HE1 0.00 0.43 0.04 -0.04 10.20 10.64 2cmlC1 TRP 2225 HE3 0.02 0.13 -0.05 -0.04 7.59 7.65 2cmlC1 TRP 2225 HZ2 -0.00 0.06 -0.24 -0.04 7.44 7.22 2cmlC1 TRP 2225 HZ3 0.02 -0.01 -0.13 -0.04 7.13 6.97 2cmlC1 TRP 2225 HH2 0.01 -0.04 -0.14 -0.04 7.19 6.99 2cmlC1 ALA 2226 H -0.17 -0.14 -0.07 -0.55 8.40 7.48 2cmlC1 ALA 2226 HA 0.10 0.29 0.81 -0.75 4.34 4.79 2cmlC1 ALA 2226 HB3 0.09 -0.00 -0.17 -0.04 1.41 1.29 2cmlC1 GLY 2227 H -0.05 -0.01 -0.15 -0.55 8.43 7.67 2cmlC1 GLY 2227 HA2 -0.02 0.10 0.20 -0.51 4.01 3.77 2cmlC1 GLY 2227 HA3 -0.01 0.13 0.34 -0.51 4.01 3.96 2cmlC1 ASN 2228 H -0.09 -0.11 -0.42 -0.55 8.53 7.37 2cmlC1 ASN 2228 HA -0.04 0.20 0.67 -0.75 4.76 4.84 2cmlC1 ASN 2228 HB2 -0.03 0.16 -0.34 -0.04 2.88 2.63 2cmlC1 ASN 2228 HB3 -0.04 -0.18 0.00 -0.04 2.79 2.54 2cmlC1 ASN 2228 HD21 -0.04 -0.05 -0.12 -0.04 7.03 6.78 2cmlC1 ASN 2228 HD22 -0.03 0.03 -0.14 -0.04 7.74 7.55 2cmlC1 ILE 2229 H -0.03 0.84 0.19 -0.55 8.25 8.70 2cmlC1 ILE 2229 HA 0.05 0.05 0.33 -0.75 4.18 3.85 2cmlC1 ILE 2229 HB -0.07 0.13 -0.08 -0.04 1.89 1.83 2cmlC1 ILE 2229 HG12 -0.25 -0.02 0.01 -0.04 1.49 1.19 2cmlC1 ILE 2229 HG13 -0.10 -0.09 -0.11 -0.04 1.21 0.87 2cmlC1 ILE 2229 HG23 -0.25 0.01 -0.08 -0.04 0.93 0.56 2cmlC1 ILE 2229 HD13 -0.15 0.01 -0.05 -0.04 0.88 0.64 2cmlC1 LEU 2230 H -0.05 -0.09 -0.05 -0.55 8.37 7.63 2cmlC1 LEU 2230 HA -0.26 0.23 0.70 -0.75 4.35 4.27 2cmlC1 LEU 2230 HB2 -0.38 -0.16 0.06 -0.04 1.64 1.11 2cmlC1 LEU 2230 HB3 -0.10 -0.06 -0.06 -0.04 1.64 1.38 2cmlC1 LEU 2230 HG -0.20 0.04 -0.39 -0.04 1.64 1.04 2cmlC1 LEU 2230 HD13 -0.98 0.02 -0.10 -0.04 0.93 -0.18 2cmlC1 LEU 2230 HD23 -0.20 -0.02 -0.34 -0.04 0.89 0.29 2cmlC1 ARG 2231 H -0.06 0.50 0.38 -0.55 8.46 8.72 2cmlC1 ARG 2231 HA 0.15 0.02 0.67 -0.75 4.34 4.42 2cmlC1 ARG 2231 HB2 0.17 -0.06 0.09 -0.04 1.90 2.06 2cmlC1 ARG 2231 HB3 0.23 0.12 -0.31 -0.04 1.80 1.80 2cmlC1 ARG 2231 HG2 0.03 0.15 0.11 -0.04 1.67 1.92 2cmlC1 ARG 2231 HG3 0.06 -0.10 -0.10 -0.04 1.67 1.49 2cmlC1 ARG 2231 HD2 0.06 -0.06 -0.02 -0.04 3.22 3.16 2cmlC1 ARG 2231 HD3 0.03 0.20 0.00 -0.04 3.22 3.41 2cmlC1 THR 2232 H 0.09 0.12 0.10 -0.55 8.28 8.04 2cmlC1 THR 2232 HA 0.04 0.23 0.92 -0.75 4.39 4.83 2cmlC1 THR 2232 HB 0.04 0.02 -0.28 -0.04 4.32 4.06 2cmlC1 THR 2232 HG23 0.01 0.02 -0.37 -0.04 1.22 0.83 2cmlC1 GLN 2233 H -0.01 0.13 0.14 -0.55 8.47 8.18 2cmlC1 GLN 2233 HA -0.01 -0.13 0.20 -0.75 4.36 3.66 2cmlC1 GLN 2233 HB2 -0.10 0.06 0.20 -0.04 2.15 2.27 2cmlC1 GLN 2233 HB3 -0.06 0.58 0.17 -0.04 2.02 2.67 2cmlC1 GLN 2233 HG2 -0.03 -0.11 0.12 -0.04 2.40 2.35 2cmlC1 GLN 2233 HG3 -0.02 -0.04 0.22 -0.04 2.39 2.51 2cmlC1 GLN 2233 HE21 -0.04 -0.02 -0.03 -0.04 6.97 6.84 2cmlC1 GLN 2233 HE22 -0.08 0.19 -0.18 -0.04 7.69 7.59 2cmlC1 GLU 2234 H -0.03 0.31 0.08 -0.55 8.60 8.42 2cmlC1 GLU 2234 HA 0.03 0.01 0.38 -0.75 4.29 3.95 2cmlC1 GLU 2234 HB2 0.17 0.13 0.24 -0.04 2.09 2.60 2cmlC1 GLU 2234 HB3 0.27 -0.03 0.23 -0.04 1.99 2.42 2cmlC1 GLU 2234 HG2 0.12 0.07 -0.29 -0.04 2.34 2.19 2cmlC1 GLU 2234 HG3 0.30 -0.02 0.04 -0.04 2.34 2.62 2cmlC1 SER 2235 H -0.30 0.10 -0.30 -0.55 8.46 7.42 2cmlC1 SER 2235 HA -1.28 0.03 0.24 -0.75 4.49 2.73 2cmlC1 SER 2235 HB2 0.08 -0.11 0.26 -0.04 3.95 4.14 2cmlC1 SER 2235 HB3 0.13 0.15 0.08 -0.04 3.93 4.26 2cmlC1 GLU 2236 H -0.09 0.19 0.27 -0.55 8.60 8.43 2cmlC1 GLU 2236 HA -0.17 -0.03 0.51 -0.75 4.29 3.84 2cmlC1 GLU 2236 HB2 0.02 0.08 0.42 -0.04 2.09 2.58 2cmlC1 GLU 2236 HB3 0.05 0.01 0.32 -0.04 1.99 2.32 2cmlC1 GLU 2236 HG2 0.18 0.11 0.36 -0.04 2.34 2.95 2cmlC1 GLU 2236 HG3 0.14 0.24 -0.01 -0.04 2.34 2.66 2cmlC1 CYS 2237 H -0.03 0.12 0.14 -0.55 8.50 8.17 2cmlC1 CYS 2237 HA -0.00 0.18 0.81 -0.75 4.58 4.81 2cmlC1 CYS 2237 HB2 0.01 0.15 0.11 -0.04 2.97 3.21 2cmlC1 CYS 2237 HB3 -0.01 -0.03 0.12 -0.04 2.97 3.01 2cmlC1 VAL 2238 H 0.01 0.39 0.17 -0.55 8.24 8.25 2cmlC1 VAL 2238 HA -0.02 0.10 0.80 -0.75 4.13 4.25 2cmlC1 VAL 2238 HB -0.05 0.01 -0.12 -0.04 2.12 1.91 2cmlC1 VAL 2238 HG13 -0.29 0.00 -0.10 -0.04 0.97 0.55 2cmlC1 VAL 2238 HG23 0.06 -0.01 -0.47 -0.04 0.95 0.50 2cmlC1 CYS 2239 H -0.11 0.19 0.14 -0.55 8.50 8.18 2cmlC1 CYS 2239 HA 0.02 0.41 0.89 -0.75 4.58 5.14 2cmlC1 CYS 2239 HB2 0.09 0.03 -0.01 -0.04 2.97 3.03 2cmlC1 CYS 2239 HB3 0.03 -0.08 -0.19 -0.04 2.97 2.70 2cmlC1 HIS 2240 H 0.03 0.59 0.20 -0.55 8.41 8.69 2cmlC1 HIS 2240 HA -0.04 0.20 0.74 -0.75 4.63 4.77 2cmlC1 HIS 2240 HB2 -0.05 0.03 -0.17 -0.04 3.26 3.03 2cmlC1 HIS 2240 HB3 -0.03 0.08 0.04 -0.04 3.20 3.25 2cmlC1 HIS 2240 HD2 -0.01 0.05 -0.24 -0.04 6.97 6.72 2cmlC1 HIS 2240 HE1 0.03 0.03 -0.08 -0.04 7.75 7.70 2cmlC1 LYS 2241 H -0.27 0.45 0.20 -0.55 8.42 8.24 2cmlC1 LYS 2241 HA -0.12 0.04 0.27 -0.75 4.32 3.75 2cmlC1 LYS 2241 HB2 -0.28 0.13 -0.07 -0.04 1.87 1.61 2cmlC1 LYS 2241 HB3 -0.15 0.03 0.22 -0.04 1.79 1.85 2cmlC1 LYS 2241 HG2 -0.14 0.03 0.03 -0.04 1.46 1.35 2cmlC1 LYS 2241 HG3 -0.62 -0.10 -0.00 -0.04 1.46 0.69 2cmlC1 LYS 2241 HD2 -0.17 0.02 -0.06 -0.04 1.69 1.43 2cmlC1 LYS 2241 HD3 -0.07 0.03 -0.00 -0.04 1.68 1.60 2cmlC1 LYS 2241 HE2 -0.07 0.01 -0.02 -0.04 2.99 2.87 2cmlC1 LYS 2241 HE3 -0.07 -0.06 -0.04 -0.04 2.99 2.77 2cmlC1 GLY 2242 H -0.34 0.10 -0.31 -0.55 8.43 7.34 2cmlC1 GLY 2242 HA2 -0.93 -0.08 0.28 -0.51 4.01 2.77 2cmlC1 GLY 2242 HA3 -1.47 0.15 0.56 -0.51 4.01 2.74 2cmlC1 VAL 2243 H -0.17 0.40 -0.31 -0.55 8.24 7.61 2cmlC1 VAL 2243 HA -0.04 0.32 0.76 -0.75 4.13 4.41 2cmlC1 VAL 2243 HB 0.01 0.12 0.18 -0.04 2.12 2.38 2cmlC1 VAL 2243 HG13 0.11 0.01 -0.16 -0.04 0.97 0.88 2cmlC1 VAL 2243 HG23 -0.07 0.03 -0.09 -0.04 0.95 0.78 2cmlC1 CYS 2244 H 0.08 0.71 0.24 -0.55 8.50 8.98 2cmlC1 CYS 2244 HA 0.05 0.37 1.00 -0.75 4.58 5.24 2cmlC1 CYS 2244 HB2 0.13 -0.08 0.08 -0.04 2.97 3.06 2cmlC1 CYS 2244 HB3 0.07 0.03 -0.15 -0.04 2.97 2.88 2cmlC1 PRO 2245 HA -0.21 0.24 0.90 -0.51 4.44 4.86 2cmlC1 PRO 2245 HB2 -0.14 -0.02 -0.08 -0.04 2.28 2.00 2cmlC1 PRO 2245 HB3 -0.51 0.01 -0.07 -0.04 2.02 1.41 2cmlC1 PRO 2245 HG2 0.04 -0.01 -0.06 -0.04 2.03 1.96 2cmlC1 PRO 2245 HG3 0.19 0.04 -0.10 -0.04 2.03 2.12 2cmlC1 PRO 2245 HD2 0.01 0.25 0.28 -0.04 3.68 4.18 2cmlC1 PRO 2245 HD3 0.07 0.31 -0.03 -0.04 3.65 3.96 2cmlC1 VAL 2246 H -0.15 0.51 0.30 -0.55 8.24 8.35 2cmlC1 VAL 2246 HA -0.01 0.14 0.87 -0.75 4.13 4.38 2cmlC1 VAL 2246 HB 0.31 0.00 0.01 -0.04 2.12 2.40 2cmlC1 VAL 2246 HG13 0.06 -0.01 -0.23 -0.04 0.97 0.76 2cmlC1 VAL 2246 HG23 0.10 0.02 -0.27 -0.04 0.95 0.76 2cmlC1 VAL 2247 H -0.03 0.16 0.11 -0.55 8.24 7.93 2cmlC1 VAL 2247 HA -0.05 0.33 1.01 -0.75 4.13 4.67 2cmlC1 VAL 2247 HB -0.04 -0.07 0.04 -0.04 2.12 2.02 2cmlC1 VAL 2247 HG13 -0.05 0.02 -0.19 -0.04 0.97 0.72 2cmlC1 VAL 2247 HG23 -0.11 -0.00 -0.17 -0.04 0.95 0.63 2cmlC1 MET 2248 H 0.09 0.77 0.38 -0.55 8.47 9.16 2cmlC1 MET 2248 HA 0.10 0.19 0.99 -0.75 4.52 5.04 2cmlC1 MET 2248 HB2 0.53 -0.04 0.02 -0.04 2.15 2.61 2cmlC1 MET 2248 HB3 0.19 0.06 0.03 -0.04 2.03 2.27 2cmlC1 MET 2248 HG2 0.12 -0.01 -0.22 -0.04 2.63 2.48 2cmlC1 MET 2248 HG3 0.17 -0.05 -0.48 -0.04 2.56 2.16 2cmlC1 MET 2248 HE3 0.28 -0.01 -0.21 -0.04 2.10 2.12 2cmlC1 THR 2249 H 0.07 0.67 0.37 -0.55 8.28 8.84 2cmlC1 THR 2249 HA 0.21 0.17 0.84 -0.75 4.39 4.85 2cmlC1 THR 2249 HB 0.01 -0.03 0.06 -0.04 4.32 4.32 2cmlC1 THR 2249 HG23 -0.02 0.00 -0.18 -0.04 1.22 0.98 2cmlC1 ASP 2250 H 0.16 0.43 0.11 -0.55 8.40 8.56 2cmlC1 ASP 2250 HA -0.16 0.26 0.43 -0.75 4.63 4.41 2cmlC1 ASP 2250 HB2 -1.10 0.03 -0.13 -0.04 2.71 1.47 2cmlC1 ASP 2250 HB3 -0.59 0.06 0.09 -0.04 2.70 2.22 2cmlC1 GLY 2251 H -0.04 0.73 0.17 -0.55 8.43 8.74 2cmlC1 GLY 2251 HA2 -0.01 0.02 0.27 -0.51 4.01 3.78 2cmlC1 GLY 2251 HA3 0.03 0.09 0.93 -0.51 4.01 4.55 2cmlC1 PRO 2252 HA -0.04 -0.03 0.27 -0.51 4.44 4.13 2cmlC1 PRO 2252 HB2 -0.20 0.08 -0.25 -0.04 2.28 1.87 2cmlC1 PRO 2252 HB3 -0.15 -0.06 -0.07 -0.04 2.02 1.71 2cmlC1 PRO 2252 HG2 -0.14 0.09 -0.03 -0.04 2.03 1.91 2cmlC1 PRO 2252 HG3 -0.08 0.00 0.03 -0.04 2.03 1.94 2cmlC1 PRO 2252 HD2 -0.05 0.35 0.16 -0.04 3.68 4.10 2cmlC1 PRO 2252 HD3 -0.03 0.07 0.21 -0.04 3.65 3.86 2cmlC1 ALA 2253 H -0.03 0.09 0.12 -0.55 8.40 8.04 2cmlC1 ALA 2253 HA 0.14 0.14 0.60 -0.75 4.34 4.46 2cmlC1 ALA 2253 HB3 0.01 0.01 0.03 -0.04 1.41 1.43 2cmlC1 ASN 2254 H -0.15 -0.03 -0.16 -0.55 8.53 7.64 2cmlC1 ASN 2254 HA -0.12 0.31 0.68 -0.75 4.76 4.87 2cmlC1 ASN 2254 HB2 0.01 0.06 0.17 -0.04 2.88 3.07 2cmlC1 ASN 2254 HB3 -0.02 0.05 -0.08 -0.04 2.79 2.70 2cmlC1 ASN 2254 HD21 -0.04 -0.04 -0.00 -0.04 7.03 6.92 2cmlC1 ASN 2254 HD22 -0.01 0.05 0.03 -0.04 7.74 7.77 2cmlC1 ASN 2255 H -0.61 0.43 -0.26 -0.55 8.53 7.54 2cmlC1 ASN 2255 HA -2.33 0.08 0.39 -0.75 4.76 2.16 2cmlC1 ASN 2255 HB2 -0.40 0.00 -0.50 -0.04 2.88 1.95 2cmlC1 ASN 2255 HB3 -0.41 0.09 -0.13 -0.04 2.79 2.30 2cmlC1 ASN 2255 HD21 -0.11 -0.03 0.04 -0.04 7.03 6.88 2cmlC1 ASN 2255 HD22 -0.17 -0.03 -0.01 -0.04 7.74 7.49 2cmlC1 ARG 2256 H -1.11 0.09 0.11 -0.55 8.46 7.00 2cmlC1 ARG 2256 HA -0.16 0.12 0.50 -0.75 4.34 4.04 2cmlC1 ARG 2256 HB2 -0.15 -0.02 0.16 -0.04 1.90 1.84 2cmlC1 ARG 2256 HB3 -0.17 -0.05 0.15 -0.04 1.80 1.70 2cmlC1 ARG 2256 HG2 0.03 0.08 -0.14 -0.04 1.67 1.60 2cmlC1 ARG 2256 HG3 0.13 0.08 0.10 -0.04 1.67 1.95 2cmlC1 ARG 2256 HD2 0.04 -0.06 0.01 -0.04 3.22 3.18 2cmlC1 ARG 2256 HD3 0.08 0.01 0.00 -0.04 3.22 3.27 2cmlC1 ALA 2257 H 0.12 0.12 0.27 -0.55 8.40 8.36 2cmlC1 ALA 2257 HA 0.03 0.10 0.76 -0.75 4.34 4.48 2cmlC1 ALA 2257 HB3 0.09 0.07 -0.16 -0.04 1.41 1.36 2cmlC1 ALA 2258 H 0.15 0.78 0.30 -0.55 8.40 9.08 2cmlC1 ALA 2258 HA 0.12 0.17 1.01 -0.75 4.34 4.89 2cmlC1 ALA 2258 HB3 0.29 -0.00 0.07 -0.04 1.41 1.72 2cmlC1 THR 2259 H 0.09 0.21 0.12 -0.55 8.28 8.14 2cmlC1 THR 2259 HA 0.22 0.27 1.04 -0.75 4.39 5.16 2cmlC1 THR 2259 HB 0.03 -0.05 0.05 -0.04 4.32 4.31 2cmlC1 THR 2259 HG23 0.00 0.02 -0.16 -0.04 1.22 1.04 2cmlC1 LYS 2260 H 0.17 0.69 0.38 -0.55 8.42 9.11 2cmlC1 LYS 2260 HA -0.16 0.21 0.89 -0.75 4.32 4.50 2cmlC1 LYS 2260 HB2 -0.30 -0.07 -0.03 -0.04 1.87 1.44 2cmlC1 LYS 2260 HB3 -0.36 0.05 -0.05 -0.04 1.79 1.40 2cmlC1 LYS 2260 HG2 -0.46 0.11 -0.27 -0.04 1.46 0.80 2cmlC1 LYS 2260 HG3 -1.02 -0.00 -0.34 -0.04 1.46 0.06 2cmlC1 LYS 2260 HD2 -1.73 -0.03 -0.13 -0.04 1.69 -0.24 2cmlC1 LYS 2260 HD3 -0.64 0.00 -0.19 -0.04 1.68 0.81 2cmlC1 LYS 2260 HE2 -0.57 0.00 -0.14 -0.04 2.99 2.25 2cmlC1 LYS 2260 HE3 -1.51 -0.00 -0.16 -0.04 2.99 1.27 2cmlC1 ILE 2261 H -0.19 0.62 0.19 -0.55 8.25 8.33 2cmlC1 ILE 2261 HA -0.23 0.26 0.81 -0.75 4.18 4.26 2cmlC1 ILE 2261 HB -0.30 -0.02 -0.02 -0.04 1.89 1.51 2cmlC1 ILE 2261 HG12 -0.35 -0.09 -0.40 -0.04 1.49 0.62 2cmlC1 ILE 2261 HG13 -0.96 0.02 -0.21 -0.04 1.21 0.02 2cmlC1 ILE 2261 HG23 -0.57 -0.01 -0.22 -0.04 0.93 0.09 2cmlC1 ILE 2261 HD13 -0.40 -0.00 -0.20 -0.04 0.88 0.24 2cmlC1 ILE 2262 H -0.23 0.61 0.24 -0.55 8.25 8.32 2cmlC1 ILE 2262 HA -0.23 0.20 0.99 -0.75 4.18 4.39 2cmlC1 ILE 2262 HB -0.07 -0.03 0.04 -0.04 1.89 1.80 2cmlC1 ILE 2262 HG12 -0.14 0.01 -0.35 -0.04 1.49 0.96 2cmlC1 ILE 2262 HG13 0.08 0.02 -0.19 -0.04 1.21 1.07 2cmlC1 ILE 2262 HG23 -0.58 0.00 -0.13 -0.04 0.93 0.19 2cmlC1 ILE 2262 HD13 0.07 0.00 -0.11 -0.04 0.88 0.80 2cmlC1 TYR 2263 H -0.13 0.75 0.30 -0.55 8.29 8.65 2cmlC1 TYR 2263 HA -0.12 0.11 0.73 -0.75 4.56 4.52 2cmlC1 TYR 2263 HB2 -0.15 -0.06 0.17 -0.04 3.06 2.97 2cmlC1 TYR 2263 HB3 -0.10 0.06 -0.07 -0.04 2.98 2.83 2cmlC1 TYR 2263 HD2 -0.09 0.08 -0.21 -0.04 7.15 6.89 2cmlC1 TYR 2263 HE2 -0.05 -0.01 -0.24 -0.04 6.85 6.52 2cmlC1 PHE 2264 H 0.12 0.59 0.17 -0.55 8.34 8.67 2cmlC1 PHE 2264 HA -0.01 0.33 0.90 -0.75 4.62 5.08 2cmlC1 PHE 2264 HB2 -0.02 0.01 0.04 -0.04 3.15 3.14 2cmlC1 PHE 2264 HB3 -0.04 -0.16 -0.15 -0.04 3.06 2.66 2cmlC1 PHE 2264 HD2 -0.02 0.14 -0.37 -0.04 7.28 6.99 2cmlC1 PHE 2264 HE2 0.00 0.01 -0.20 -0.04 7.38 7.16 2cmlC1 PHE 2264 HZ 0.04 -0.01 -0.20 -0.04 7.32 7.11 2cmlC1 LYS 2265 H 0.05 0.76 0.19 -0.55 8.42 8.86 2cmlC1 LYS 2265 HA -0.08 0.27 0.50 -0.75 4.32 4.25 2cmlC1 LYS 2265 HB2 -0.07 0.04 0.01 -0.04 1.87 1.81 2cmlC1 LYS 2265 HB3 -0.06 0.00 0.09 -0.04 1.79 1.78 2cmlC1 LYS 2265 HG2 -0.09 -0.07 -0.18 -0.04 1.46 1.08 2cmlC1 LYS 2265 HG3 -0.23 0.21 0.10 -0.04 1.46 1.50 2cmlC1 LYS 2265 HD2 -0.14 0.05 -0.06 -0.04 1.69 1.50 2cmlC1 LYS 2265 HD3 -0.05 -0.02 -0.04 -0.04 1.68 1.53 2cmlC1 LYS 2265 HE2 0.05 -0.06 -0.03 -0.04 2.99 2.91 2cmlC1 LYS 2265 HE3 -0.34 0.05 0.05 -0.04 2.99 2.71 2cmlC1 GLU 2266 H -0.28 0.21 0.07 -0.55 8.60 8.04 2cmlC1 GLU 2266 HA -1.94 -0.02 0.26 -0.75 4.29 1.83 2cmlC1 GLU 2266 HB2 -0.20 0.18 0.08 -0.04 2.09 2.11 2cmlC1 GLU 2266 HB3 -0.45 0.03 0.16 -0.04 1.99 1.69 2cmlC1 GLU 2266 HG2 -0.05 -0.05 0.01 -0.04 2.34 2.21 2cmlC1 GLU 2266 HG3 -0.08 -0.04 -0.07 -0.04 2.34 2.11 2cmlC1 GLY 2267 H -0.19 0.03 -0.29 -0.55 8.43 7.43 2cmlC1 GLY 2267 HA2 -0.04 -0.03 0.10 -0.51 4.01 3.53 2cmlC1 GLY 2267 HA3 -0.02 0.12 0.22 -0.51 4.01 3.83 2cmlC1 LYS 2268 H -0.01 0.40 -0.73 -0.55 8.42 7.52 2cmlC1 LYS 2268 HA 0.08 0.11 0.71 -0.75 4.32 4.47 2cmlC1 LYS 2268 HB2 -0.01 0.12 0.05 -0.04 1.87 1.98 2cmlC1 LYS 2268 HB3 0.00 0.03 -0.04 -0.04 1.79 1.74 2cmlC1 LYS 2268 HG2 0.00 0.01 -0.08 -0.04 1.46 1.36 2cmlC1 LYS 2268 HG3 -0.03 0.13 -0.11 -0.04 1.46 1.41 2cmlC1 LYS 2268 HD2 -0.02 -0.00 0.00 -0.04 1.69 1.63 2cmlC1 LYS 2268 HD3 -0.01 -0.02 -0.02 -0.04 1.68 1.59 2cmlC1 LYS 2268 HE2 -0.00 0.01 -0.00 -0.04 2.99 2.95 2cmlC1 LYS 2268 HE3 -0.01 0.03 -0.00 -0.04 2.99 2.97 2cmlC1 ILE 2269 H 0.04 0.14 0.07 -0.55 8.25 7.95 2cmlC1 ILE 2269 HA -0.29 0.10 0.51 -0.75 4.18 3.74 2cmlC1 ILE 2269 HB -0.05 0.01 0.07 -0.04 1.89 1.88 2cmlC1 ILE 2269 HG12 -0.32 -0.01 -0.14 -0.04 1.49 0.97 2cmlC1 ILE 2269 HG13 0.09 -0.02 -0.03 -0.04 1.21 1.21 2cmlC1 ILE 2269 HG23 -0.16 0.01 -0.27 -0.04 0.93 0.46 2cmlC1 ILE 2269 HD13 0.04 0.00 -0.07 -0.04 0.88 0.81 2cmlC1 GLN 2270 H -0.15 0.80 0.42 -0.55 8.47 8.99 2cmlC1 GLN 2270 HA -0.06 0.10 0.70 -0.75 4.36 4.35 2cmlC1 GLN 2270 HB2 -0.03 0.01 0.05 -0.04 2.15 2.14 2cmlC1 GLN 2270 HB3 -0.07 -0.02 -0.01 -0.04 2.02 1.89 2cmlC1 GLN 2270 HG2 -0.04 -0.01 -0.24 -0.04 2.40 2.07 2cmlC1 GLN 2270 HG3 -0.04 -0.01 -0.16 -0.04 2.39 2.14 2cmlC1 GLN 2270 HE21 -0.03 -0.02 -0.04 -0.04 6.97 6.83 2cmlC1 GLN 2270 HE22 -0.05 0.00 -0.02 -0.04 7.69 7.58 2cmlC1 LYS 2271 H -0.07 0.28 0.23 -0.55 8.42 8.31 2cmlC1 LYS 2271 HA -0.06 0.10 0.62 -0.75 4.32 4.22 2cmlC1 LYS 2271 HB2 -0.14 0.14 -0.28 -0.04 1.87 1.54 2cmlC1 LYS 2271 HB3 -0.14 -0.08 -0.09 -0.04 1.79 1.43 2cmlC1 LYS 2271 HG2 -0.04 -0.04 -0.25 -0.04 1.46 1.09 2cmlC1 LYS 2271 HG3 -0.07 -0.03 0.04 -0.04 1.46 1.37 2cmlC1 LYS 2271 HD2 -0.14 -0.02 0.00 -0.04 1.69 1.49 2cmlC1 LYS 2271 HD3 -0.32 0.08 -0.00 -0.04 1.68 1.39 2cmlC1 LYS 2271 HE2 -0.06 -0.05 -0.05 -0.04 2.99 2.79 2cmlC1 LYS 2271 HE3 -0.07 -0.06 0.02 -0.04 2.99 2.82 2cmlC1 ILE 2272 H -0.05 0.26 0.14 -0.55 8.25 8.05 2cmlC1 ILE 2272 HA -0.06 0.23 0.87 -0.75 4.18 4.46 2cmlC1 ILE 2272 HB -0.12 -0.01 0.12 -0.04 1.89 1.85 2cmlC1 ILE 2272 HG12 -0.15 0.00 -0.04 -0.04 1.49 1.26 2cmlC1 ILE 2272 HG13 -0.10 -0.08 -0.26 -0.04 1.21 0.72 2cmlC1 ILE 2272 HG23 -0.26 0.00 -0.15 -0.04 0.93 0.48 2cmlC1 ILE 2272 HD13 -0.10 0.01 -0.06 -0.04 0.88 0.68 2cmlC1 GLU 2273 H -0.02 0.64 0.27 -0.55 8.60 8.95 2cmlC1 GLU 2273 HA -0.01 0.16 0.96 -0.75 4.29 4.65 2cmlC1 GLU 2273 HB2 0.09 -0.10 0.00 -0.04 2.09 2.04 2cmlC1 GLU 2273 HB3 0.18 0.14 -0.04 -0.04 1.99 2.23 2cmlC1 GLU 2273 HG2 0.07 0.04 -0.02 -0.04 2.34 2.38 2cmlC1 GLU 2273 HG3 0.24 -0.03 -0.17 -0.04 2.34 2.34 2cmlC1 GLU 2274 H -0.03 0.13 0.13 -0.55 8.60 8.29 2cmlC1 GLU 2274 HA -0.11 0.18 0.81 -0.75 4.29 4.41 2cmlC1 GLU 2274 HB2 -0.02 -0.03 0.07 -0.04 2.09 2.07 2cmlC1 GLU 2274 HB3 -0.03 0.10 0.09 -0.04 1.99 2.11 2cmlC1 GLU 2274 HG2 -0.17 0.03 -0.02 -0.04 2.34 2.14 2cmlC1 GLU 2274 HG3 -0.12 -0.07 -0.01 -0.04 2.34 2.10 2cmlC1 LEU 2275 H -0.01 0.56 0.19 -0.55 8.37 8.56 2cmlC1 LEU 2275 HA 0.21 -0.06 0.32 -0.75 4.35 4.07 2cmlC1 LEU 2275 HB2 0.01 -0.06 -0.07 -0.04 1.64 1.48 2cmlC1 LEU 2275 HB3 0.05 -0.01 0.08 -0.04 1.64 1.73 2cmlC1 LEU 2275 HG 0.10 0.17 -0.34 -0.04 1.64 1.52 2cmlC1 LEU 2275 HD13 0.05 -0.04 -0.15 -0.04 0.93 0.75 2cmlC1 LEU 2275 HD23 0.05 -0.01 -0.24 -0.04 0.89 0.65 2cmlC1 ALA 2276 H 0.57 0.06 0.12 -0.55 8.40 8.60 2cmlC1 ALA 2276 HA 0.03 0.20 0.76 -0.75 4.34 4.57 2cmlC1 ALA 2276 HB3 -0.17 0.00 0.09 -0.04 1.41 1.29 2cmlC1 GLY 2277 H -0.01 0.13 0.17 -0.55 8.43 8.18 2cmlC1 GLY 2277 HA2 -0.01 0.02 0.40 -0.51 4.01 3.91 2cmlC1 GLY 2277 HA3 -0.00 0.00 0.70 -0.51 4.01 4.19 2cmlC1 ASN 2278 H 0.02 0.47 0.15 -0.55 8.53 8.63 2cmlC1 ASN 2278 HA 0.07 0.19 0.49 -0.75 4.76 4.77 2cmlC1 ASN 2278 HB2 0.07 0.01 0.16 -0.04 2.88 3.09 2cmlC1 ASN 2278 HB3 0.13 0.13 0.10 -0.04 2.79 3.10 2cmlC1 ASN 2278 HD21 0.03 -0.04 0.03 -0.04 7.03 7.01 2cmlC1 ASN 2278 HD22 0.05 -0.01 0.08 -0.04 7.74 7.82 2cmlC1 ALA 2279 H -0.01 0.01 -0.31 -0.55 8.40 7.54 2cmlC1 ALA 2279 HA -0.35 0.04 0.47 -0.75 4.34 3.74 2cmlC1 ALA 2279 HB3 -0.15 0.04 -0.05 -0.04 1.41 1.21 2cmlC1 GLN 2280 H 0.28 0.07 0.09 -0.55 8.47 8.36 2cmlC1 GLN 2280 HA 0.23 0.25 0.74 -0.75 4.36 4.82 2cmlC1 GLN 2280 HB2 0.16 -0.08 0.06 -0.04 2.15 2.25 2cmlC1 GLN 2280 HB3 0.14 -0.03 0.02 -0.04 2.02 2.11 2cmlC1 GLN 2280 HG2 0.13 0.05 -0.10 -0.04 2.40 2.44 2cmlC1 GLN 2280 HG3 0.18 0.17 -0.10 -0.04 2.39 2.61 2cmlC1 GLN 2280 HE21 -0.09 -0.04 0.04 -0.04 6.97 6.83 2cmlC1 GLN 2280 HE22 0.01 0.13 0.05 -0.04 7.69 7.83 2cmlC1 HIS 2281 H 0.24 0.20 0.04 -0.55 8.41 8.35 2cmlC1 HIS 2281 HA 0.21 0.13 0.50 -0.75 4.63 4.71 2cmlC1 HIS 2281 HB2 0.60 0.07 -0.23 -0.04 3.26 3.66 2cmlC1 HIS 2281 HB3 0.29 -0.18 0.03 -0.04 3.20 3.29 2cmlC1 HIS 2281 HD2 0.10 0.04 0.07 -0.04 6.97 7.13 2cmlC1 HIS 2281 HE1 0.07 0.03 -0.03 -0.04 7.75 7.77 2cmlC1 ILE 2282 H -0.44 0.28 0.05 -0.55 8.25 7.58 2cmlC1 ILE 2282 HA -0.06 0.18 0.78 -0.75 4.18 4.33 2cmlC1 ILE 2282 HB -0.06 -0.02 -0.08 -0.04 1.89 1.69 2cmlC1 ILE 2282 HG12 -0.02 -0.07 -0.62 -0.04 1.49 0.73 2cmlC1 ILE 2282 HG13 -0.02 0.00 -0.24 -0.04 1.21 0.91 2cmlC1 ILE 2282 HG23 -0.04 -0.01 -0.28 -0.04 0.93 0.55 2cmlC1 ILE 2282 HD13 -0.07 0.03 -0.15 -0.04 0.88 0.65 2cmlC1 GLU 2283 H -0.03 0.39 0.25 -0.55 8.60 8.67 2cmlC1 GLU 2283 HA -0.03 0.09 0.45 -0.75 4.29 4.05 2cmlC1 GLU 2283 HB2 0.05 0.02 -0.04 -0.04 2.09 2.07 2cmlC1 GLU 2283 HB3 0.04 0.02 0.02 -0.04 1.99 2.03 2cmlC1 GLU 2283 HG2 -0.06 0.16 0.00 -0.04 2.34 2.40 2cmlC1 GLU 2283 HG3 -0.04 -0.14 -0.42 -0.04 2.34 1.70 2cmlC1 GLU 2284 H 0.01 0.19 -0.04 -0.55 8.60 8.22 2cmlC1 GLU 2284 HA -0.00 0.13 0.38 -0.75 4.29 4.05 2cmlC1 GLU 2284 HB2 -0.05 -0.02 -0.51 -0.04 2.09 1.46 2cmlC1 GLU 2284 HB3 -0.12 0.06 0.16 -0.04 1.99 2.05 2cmlC1 GLU 2284 HG2 0.06 0.12 0.01 -0.04 2.34 2.50 2cmlC1 GLU 2284 HG3 0.04 -0.09 -0.03 -0.04 2.34 2.23 2cmlC1 CYS 2285 H -0.02 -0.08 -0.20 -0.55 8.50 7.65 2cmlC1 CYS 2285 HA -0.02 0.17 0.56 -0.75 4.58 4.53 2cmlC1 CYS 2285 HB2 -0.03 -0.08 0.02 -0.04 2.97 2.84 2cmlC1 CYS 2285 HB3 -0.03 -0.02 -0.13 -0.04 2.97 2.74 2cmlC1 SER 2286 H 0.00 0.59 0.43 -0.55 8.46 8.94 2cmlC1 SER 2286 HA 0.01 0.13 1.03 -0.75 4.49 4.91 2cmlC1 SER 2286 HB2 0.08 -0.02 0.53 -0.04 3.95 4.50 2cmlC1 SER 2286 HB3 0.04 -0.41 0.30 -0.04 3.93 3.82 2cmlC1 CYS 2287 H 0.04 0.35 0.26 -0.55 8.50 8.59 2cmlC1 CYS 2287 HA -0.00 0.40 1.14 -0.75 4.58 5.35 2cmlC1 CYS 2287 HB2 0.00 0.13 0.08 -0.04 2.97 3.14 2cmlC1 CYS 2287 HB3 -0.04 -0.01 -0.09 -0.04 2.97 2.79 2cmlC1 TYR 2288 H -0.23 0.52 0.42 -0.55 8.29 8.45 2cmlC1 TYR 2288 HA 0.20 0.14 0.66 -0.75 4.56 4.81 2cmlC1 TYR 2288 HB2 0.33 -0.05 0.11 -0.04 3.06 3.40 2cmlC1 TYR 2288 HB3 0.19 0.03 -0.13 -0.04 2.98 3.02 2cmlC1 TYR 2288 HD2 0.07 0.06 -0.11 -0.04 7.15 7.13 2cmlC1 TYR 2288 HE2 0.12 0.08 0.03 -0.04 6.85 7.04 2cmlC1 GLY 2289 H 0.47 0.18 0.18 -0.55 8.43 8.71 2cmlC1 GLY 2289 HA2 -0.03 0.39 1.12 -0.51 4.01 4.98 2cmlC1 GLY 2289 HA3 -0.00 -0.04 0.34 -0.51 4.01 3.79 2cmlC1 ALA 2290 H 0.13 0.63 0.30 -0.55 8.40 8.91 2cmlC1 ALA 2290 HA 0.52 0.14 0.53 -0.75 4.34 4.78 2cmlC1 ALA 2290 HB3 0.34 -0.01 0.01 -0.04 1.41 1.71 2cmlC1 GLY 2291 H 0.11 0.57 0.06 -0.55 8.43 8.63 2cmlC1 GLY 2291 HA2 0.04 0.05 0.24 -0.51 4.01 3.82 2cmlC1 GLY 2291 HA3 0.04 -0.03 0.35 -0.51 4.01 3.86 2cmlC1 GLY 2292 H 0.03 0.68 0.04 -0.55 8.43 8.63 2cmlC1 GLY 2292 HA2 -0.34 -0.11 0.27 -0.51 4.01 3.32 2cmlC1 GLY 2292 HA3 -0.11 0.02 0.37 -0.51 4.01 3.77 2cmlC1 VAL 2293 H -0.02 0.34 -0.24 -0.55 8.24 7.77 2cmlC1 VAL 2293 HA -0.06 0.22 1.08 -0.75 4.13 4.61 2cmlC1 VAL 2293 HB 0.01 0.13 0.07 -0.04 2.12 2.29 2cmlC1 VAL 2293 HG13 -0.03 -0.03 -0.17 -0.04 0.97 0.70 2cmlC1 VAL 2293 HG23 -0.01 0.00 -0.10 -0.04 0.95 0.80 2cmlC1 ILE 2294 H -0.06 0.70 0.38 -0.55 8.25 8.72 2cmlC1 ILE 2294 HA -0.16 0.31 1.13 -0.75 4.18 4.71 2cmlC1 ILE 2294 HB -0.05 -0.05 0.11 -0.04 1.89 1.86 2cmlC1 ILE 2294 HG12 -0.08 0.01 -0.15 -0.04 1.49 1.22 2cmlC1 ILE 2294 HG13 -0.08 -0.08 -0.38 -0.04 1.21 0.63 2cmlC1 ILE 2294 HG23 -0.08 0.02 -0.16 -0.04 0.93 0.66 2cmlC1 ILE 2294 HD13 -0.02 -0.00 -0.18 -0.04 0.88 0.64 2cmlC1 LYS 2295 H -0.46 0.42 0.30 -0.55 8.42 8.13 2cmlC1 LYS 2295 HA -0.12 0.32 1.11 -0.75 4.32 4.88 2cmlC1 LYS 2295 HB2 -0.56 -0.05 0.16 -0.04 1.87 1.38 2cmlC1 LYS 2295 HB3 -0.08 0.03 0.02 -0.04 1.79 1.72 2cmlC1 LYS 2295 HG2 -0.09 0.05 -0.16 -0.04 1.46 1.22 2cmlC1 LYS 2295 HG3 -0.14 -0.00 -0.09 -0.04 1.46 1.18 2cmlC1 LYS 2295 HD2 0.09 -0.04 -0.00 -0.04 1.69 1.70 2cmlC1 LYS 2295 HD3 0.01 0.02 -0.06 -0.04 1.68 1.61 2cmlC1 LYS 2295 HE2 0.03 -0.02 -0.07 -0.04 2.99 2.89 2cmlC1 LYS 2295 HE3 0.02 0.00 -0.08 -0.04 2.99 2.90 2cmlC1 CYS 2296 H -0.06 0.68 0.33 -0.55 8.50 8.90 2cmlC1 CYS 2296 HA -0.03 0.33 0.88 -0.75 4.58 5.00 2cmlC1 CYS 2296 HB2 -0.05 -0.08 0.09 -0.04 2.97 2.90 2cmlC1 CYS 2296 HB3 -0.04 -0.03 -0.12 -0.04 2.97 2.74 2cmlC1 ILE 2297 H 0.01 0.66 0.39 -0.55 8.25 8.76 2cmlC1 ILE 2297 HA -0.01 0.21 0.97 -0.75 4.18 4.59 2cmlC1 ILE 2297 HB 0.03 -0.04 0.33 -0.04 1.89 2.17 2cmlC1 ILE 2297 HG12 0.03 -0.06 -0.05 -0.04 1.49 1.37 2cmlC1 ILE 2297 HG13 0.02 0.04 -0.03 -0.04 1.21 1.20 2cmlC1 ILE 2297 HG23 -0.02 0.03 -0.21 -0.04 0.93 0.69 2cmlC1 ILE 2297 HD13 0.07 -0.02 -0.35 -0.04 0.88 0.54 2cmlC1 CYS 2298 H -0.03 0.55 0.20 -0.55 8.50 8.67 2cmlC1 CYS 2298 HA -0.02 0.24 0.59 -0.75 4.58 4.64 2cmlC1 CYS 2298 HB2 -0.05 0.02 -0.10 -0.04 2.97 2.80 2cmlC1 CYS 2298 HB3 -0.03 -0.04 0.04 -0.04 2.97 2.91 2cmlC1 ARG 2299 H -0.01 0.41 0.24 -0.55 8.46 8.55 2cmlC1 ARG 2299 HA 0.04 0.20 0.82 -0.75 4.34 4.64 2cmlC1 ARG 2299 HB2 -0.02 0.12 -0.08 -0.04 1.90 1.87 2cmlC1 ARG 2299 HB3 -0.00 0.01 -0.02 -0.04 1.80 1.74 2cmlC1 ARG 2299 HG2 0.10 -0.05 -0.52 -0.04 1.67 1.16 2cmlC1 ARG 2299 HG3 0.05 0.05 -0.15 -0.04 1.67 1.57 2cmlC1 ARG 2299 HD2 -0.04 -0.05 -0.46 -0.04 3.22 2.62 2cmlC1 ARG 2299 HD3 0.04 -0.08 -0.24 -0.04 3.22 2.90 2cmlC1 ASP 2300 H 0.11 0.36 0.14 -0.55 8.40 8.47 2cmlC1 ASP 2300 HA 0.30 0.03 0.61 -0.75 4.63 4.80 2cmlC1 ASP 2300 HB2 0.23 0.05 0.17 -0.04 2.71 3.11 2cmlC1 ASP 2300 HB3 0.21 0.31 0.32 -0.04 2.70 3.50 2cmlC1 ASN 2301 H 0.65 0.13 -0.13 -0.55 8.53 8.63 2cmlC1 ASN 2301 HA 0.14 0.38 0.39 -0.75 4.76 4.91 2cmlC1 ASN 2301 HB2 0.26 -0.12 -0.05 -0.04 2.88 2.93 2cmlC1 ASN 2301 HB3 0.13 0.26 0.01 -0.04 2.79 3.15 2cmlC1 ASN 2301 HD21 0.06 -0.12 -0.02 -0.04 7.03 6.92 2cmlC1 ASN 2301 HD22 0.05 0.43 0.04 -0.04 7.74 8.23 2cmlC1 TRP 2302 H 0.23 -0.18 -0.47 -0.55 7.97 7.00 2cmlC1 TRP 2302 HA -0.18 0.21 0.51 -0.75 4.62 4.41 2cmlC1 TRP 2302 HB2 -0.68 0.03 -0.23 -0.04 3.23 2.32 2cmlC1 TRP 2302 HB3 -0.09 -0.14 -0.07 -0.04 3.23 2.89 2cmlC1 TRP 2302 HD1 -0.07 0.09 -0.19 -0.04 7.22 7.00 2cmlC1 TRP 2302 HE1 -0.02 0.01 -0.09 -0.04 10.20 10.06 2cmlC1 TRP 2302 HE3 0.11 0.08 -0.30 -0.04 7.59 7.44 2cmlC1 TRP 2302 HZ2 0.01 0.01 -0.02 -0.04 7.44 7.40 2cmlC1 TRP 2302 HZ3 0.08 0.12 -0.00 -0.04 7.13 7.28 2cmlC1 TRP 2302 HH2 0.04 0.01 0.00 -0.04 7.19 7.19 2cmlC1 LYS 2303 H -0.01 -0.14 0.01 -0.55 8.42 7.73 2cmlC1 LYS 2303 HA -0.16 0.30 0.97 -0.75 4.32 4.69 2cmlC1 LYS 2303 HB2 -0.46 -0.09 -0.01 -0.04 1.87 1.27 2cmlC1 LYS 2303 HB3 -0.32 -0.02 -0.14 -0.04 1.79 1.27 2cmlC1 LYS 2303 HG2 -0.49 0.01 -0.08 -0.04 1.46 0.87 2cmlC1 LYS 2303 HG3 -1.33 0.03 -0.37 -0.04 1.46 -0.26 2cmlC1 LYS 2303 HD2 -1.66 -0.04 -0.11 -0.04 1.69 -0.15 2cmlC1 LYS 2303 HD3 -0.62 0.01 -0.07 -0.04 1.68 0.96 2cmlC1 LYS 2303 HE2 -0.43 0.00 -0.05 -0.04 2.99 2.47 2cmlC1 LYS 2303 HE3 -1.07 -0.01 -0.07 -0.04 2.99 1.81 2cmlC1 GLY 2304 H 0.04 -0.12 0.10 -0.55 8.43 7.90 2cmlC1 GLY 2304 HA2 -0.10 0.01 0.31 -0.51 4.01 3.72 2cmlC1 GLY 2304 HA3 0.02 -0.05 0.40 -0.51 4.01 3.87 2cmlC1 ALA 2305 H -0.04 0.68 0.44 -0.55 8.40 8.93 2cmlC1 ALA 2305 HA 0.03 0.24 0.87 -0.75 4.34 4.72 2cmlC1 ALA 2305 HB3 -0.01 0.03 0.10 -0.04 1.41 1.49 2cmlC1 ASN 2306 H -0.01 -0.12 0.15 -0.55 8.53 8.01 2cmlC1 ASN 2306 HA 0.04 0.09 0.91 -0.75 4.76 5.04 2cmlC1 ASN 2306 HB2 0.09 0.08 0.11 -0.04 2.88 3.12 2cmlC1 ASN 2306 HB3 -0.00 0.09 0.11 -0.04 2.79 2.94 2cmlC1 ASN 2306 HD21 -0.40 0.28 0.07 -0.04 7.03 6.94 2cmlC1 ASN 2306 HD22 0.00 0.23 0.00 -0.04 7.74 7.93 2cmlC1 ARG 2307 H 0.09 0.15 0.16 -0.55 8.46 8.31 2cmlC1 ARG 2307 HA 0.09 0.22 0.75 -0.75 4.34 4.66 2cmlC1 ARG 2307 HB2 0.01 -0.13 0.09 -0.04 1.90 1.84 2cmlC1 ARG 2307 HB3 0.00 0.22 0.08 -0.04 1.80 2.07 2cmlC1 ARG 2307 HG2 0.03 0.06 -0.12 -0.04 1.67 1.60 2cmlC1 ARG 2307 HG3 0.01 -0.14 -0.12 -0.04 1.67 1.38 2cmlC1 ARG 2307 HD2 -0.04 -0.07 -0.13 -0.04 3.22 2.93 2cmlC1 ARG 2307 HD3 -0.01 0.13 -0.18 -0.04 3.22 3.12 2cmlC1 PRO 2308 HA -0.59 0.19 0.80 -0.51 4.44 4.33 2cmlC1 PRO 2308 HB2 -0.16 -0.07 -0.09 -0.04 2.28 1.91 2cmlC1 PRO 2308 HB3 -0.43 -0.02 0.09 -0.04 2.02 1.61 2cmlC1 PRO 2308 HG2 -0.06 0.13 -0.08 -0.04 2.03 1.97 2cmlC1 PRO 2308 HG3 -0.25 -0.04 0.08 -0.04 2.03 1.78 2cmlC1 PRO 2308 HD2 -0.01 0.19 -0.14 -0.04 3.68 3.68 2cmlC1 PRO 2308 HD3 0.10 0.26 0.24 -0.04 3.65 4.22 2cmlC1 VAL 2309 H -0.15 0.75 0.30 -0.55 8.24 8.59 2cmlC1 VAL 2309 HA -0.04 0.32 1.00 -0.75 4.13 4.65 2cmlC1 VAL 2309 HB -0.01 -0.07 -0.09 -0.04 2.12 1.90 2cmlC1 VAL 2309 HG13 0.00 -0.01 -0.21 -0.04 0.97 0.71 2cmlC1 VAL 2309 HG23 0.00 -0.00 -0.25 -0.04 0.95 0.67 2cmlC1 ILE 2310 H -0.03 0.59 0.31 -0.55 8.25 8.57 2cmlC1 ILE 2310 HA 0.02 0.30 1.10 -0.75 4.18 4.85 2cmlC1 ILE 2310 HB -0.04 -0.07 0.06 -0.04 1.89 1.81 2cmlC1 ILE 2310 HG12 0.00 0.05 -0.13 -0.04 1.49 1.38 2cmlC1 ILE 2310 HG13 -0.04 -0.04 -0.22 -0.04 1.21 0.86 2cmlC1 ILE 2310 HG23 0.03 0.02 -0.19 -0.04 0.93 0.74 2cmlC1 ILE 2310 HD13 -0.06 -0.01 -0.16 -0.04 0.88 0.60 2cmlC1 THR 2311 H 0.04 0.62 0.33 -0.55 8.28 8.72 2cmlC1 THR 2311 HA -0.02 0.29 1.04 -0.75 4.39 4.94 2cmlC1 THR 2311 HB 0.01 -0.10 0.16 -0.04 4.32 4.35 2cmlC1 THR 2311 HG23 -0.00 0.00 -0.13 -0.04 1.22 1.05 2cmlC1 ILE 2312 H -0.02 0.83 0.40 -0.55 8.25 8.91 2cmlC1 ILE 2312 HA 0.10 0.19 0.96 -0.75 4.18 4.68 2cmlC1 ILE 2312 HB -0.01 -0.01 0.05 -0.04 1.89 1.88 2cmlC1 ILE 2312 HG12 0.02 0.01 -0.22 -0.04 1.49 1.26 2cmlC1 ILE 2312 HG13 0.01 -0.08 -0.50 -0.04 1.21 0.60 2cmlC1 ILE 2312 HG23 0.14 -0.01 -0.32 -0.04 0.93 0.69 2cmlC1 ILE 2312 HD13 -0.11 -0.01 -0.22 -0.04 0.88 0.50 2cmlC1 ASP 2313 H 0.07 0.77 0.33 -0.55 8.40 9.03 2cmlC1 ASP 2313 HA -0.02 0.28 0.94 -0.75 4.63 5.09 2cmlC1 ASP 2313 HB2 -0.00 0.08 0.11 -0.04 2.71 2.86 2cmlC1 ASP 2313 HB3 0.00 -0.03 0.25 -0.04 2.70 2.88 2cmlC1 PRO 2314 HA 0.15 0.11 0.49 -0.51 4.44 4.68 2cmlC1 PRO 2314 HB2 0.15 0.09 -0.02 -0.04 2.28 2.46 2cmlC1 PRO 2314 HB3 0.08 0.06 -0.00 -0.04 2.02 2.11 2cmlC1 PRO 2314 HG2 -0.25 -0.00 -0.03 -0.04 2.03 1.70 2cmlC1 PRO 2314 HG3 -0.13 0.01 -0.14 -0.04 2.03 1.73 2cmlC1 PRO 2314 HD2 -0.11 0.38 0.31 -0.04 3.68 4.22 2cmlC1 PRO 2314 HD3 -0.04 0.17 -0.02 -0.04 3.65 3.72 2cmlC1 GLU 2315 H 0.01 0.03 -0.27 -0.55 8.60 7.82 2cmlC1 GLU 2315 HA 0.05 0.21 0.56 -0.75 4.29 4.35 2cmlC1 GLU 2315 HB2 0.03 -0.08 0.13 -0.04 2.09 2.12 2cmlC1 GLU 2315 HB3 0.04 0.05 -0.00 -0.04 1.99 2.03 2cmlC1 GLU 2315 HG2 0.23 0.06 -0.07 -0.04 2.34 2.52 2cmlC1 GLU 2315 HG3 0.16 -0.02 -0.03 -0.04 2.34 2.41 2cmlC1 MET 2316 H -0.02 -0.01 -0.00 -0.55 8.47 7.89 2cmlC1 MET 2316 HA -0.06 0.12 0.50 -0.75 4.52 4.32 2cmlC1 MET 2316 HB2 -0.04 -0.06 0.04 -0.04 2.15 2.05 2cmlC1 MET 2316 HB3 -0.05 0.04 -0.04 -0.04 2.03 1.94 2cmlC1 MET 2316 HG2 -0.02 -0.02 -0.01 -0.04 2.63 2.54 2cmlC1 MET 2316 HG3 -0.02 -0.01 0.03 -0.04 2.56 2.52 2cmlC1 MET 2316 HE3 -0.03 -0.00 -0.03 -0.04 2.10 2.01 2cmlC1 MET 2317 H -0.10 0.21 -0.34 -0.55 8.47 7.69 2cmlC1 MET 2317 HA -0.52 0.03 0.21 -0.75 4.52 3.49 2cmlC1 MET 2317 HB2 -0.43 0.17 -0.03 -0.04 2.15 1.82 2cmlC1 MET 2317 HB3 -1.39 -0.10 0.03 -0.04 2.03 0.54 2cmlC1 MET 2317 HG2 -0.37 0.03 -0.17 -0.04 2.63 2.08 2cmlC1 MET 2317 HG3 -0.24 0.15 -0.49 -0.04 2.56 1.95 2cmlC1 MET 2317 HE3 -0.17 0.02 -0.11 -0.04 2.10 1.80 2cmlC1 THR 2318 H -0.01 0.28 0.14 -0.55 8.28 8.14 2cmlC1 THR 2318 HA 0.07 0.18 0.76 -0.75 4.39 4.64 2cmlC1 THR 2318 HB -0.02 0.03 0.03 -0.04 4.32 4.32 2cmlC1 THR 2318 HG23 -0.06 0.06 -0.24 -0.04 1.22 0.94 2cmlC1 HIS 2319 H 0.02 0.25 0.18 -0.55 8.41 8.31 2cmlC1 HIS 2319 HA 0.02 0.26 0.99 -0.75 4.63 5.14 2cmlC1 HIS 2319 HB2 0.01 0.09 0.01 -0.04 3.26 3.32 2cmlC1 HIS 2319 HB3 0.07 -0.06 -0.25 -0.04 3.20 2.92 2cmlC1 HIS 2319 HD2 -0.01 0.10 -0.29 -0.04 6.97 6.72 2cmlC1 HIS 2319 HE1 0.00 0.30 -0.12 -0.04 7.75 7.89 2cmlC1 THR 2320 H 0.05 0.58 0.40 -0.55 8.28 8.76 2cmlC1 THR 2320 HA -0.16 0.14 0.61 -0.75 4.39 4.22 2cmlC1 THR 2320 HB -0.04 -0.00 0.16 -0.04 4.32 4.40 2cmlC1 THR 2320 HG23 -0.05 0.00 -0.13 -0.04 1.22 1.00 2cmlC1 SER 2321 H -0.02 0.17 0.21 -0.55 8.46 8.27 2cmlC1 SER 2321 HA 0.01 0.33 0.89 -0.75 4.49 4.97 2cmlC1 SER 2321 HB2 -0.02 0.02 0.10 -0.04 3.95 4.01 2cmlC1 SER 2321 HB3 0.10 0.00 -0.11 -0.04 3.93 3.88 2cmlC1 LYS 2322 H -0.06 0.63 0.35 -0.55 8.42 8.79 2cmlC1 LYS 2322 HA 0.02 -0.05 0.14 -0.75 4.32 3.67 2cmlC1 LYS 2322 HB2 0.07 0.36 0.41 -0.04 1.87 2.68 2cmlC1 LYS 2322 HB3 0.03 0.00 0.26 -0.04 1.79 2.04 2cmlC1 LYS 2322 HG2 0.00 -0.09 -0.08 -0.04 1.46 1.25 2cmlC1 LYS 2322 HG3 0.04 0.34 0.06 -0.04 1.46 1.86 2cmlC1 LYS 2322 HD2 0.02 -0.07 -0.04 -0.04 1.69 1.56 2cmlC1 LYS 2322 HD3 0.02 -0.06 -0.05 -0.04 1.68 1.55 2cmlC1 LYS 2322 HE2 0.03 0.09 0.08 -0.04 2.99 3.15 2cmlC1 LYS 2322 HE3 0.04 0.08 0.08 -0.04 2.99 3.15 2cmlC1 TYR 2323 H 0.19 0.76 0.19 -0.55 8.29 8.88 2cmlC1 TYR 2323 HA 0.01 0.07 0.92 -0.75 4.56 4.80 2cmlC1 TYR 2323 HB2 -0.01 0.03 -0.26 -0.04 3.06 2.79 2cmlC1 TYR 2323 HB3 -0.01 0.09 -0.14 -0.04 2.98 2.89 2cmlC1 TYR 2323 HD2 -0.00 0.00 -0.60 -0.04 7.15 6.51 2cmlC1 TYR 2323 HE2 0.01 0.23 -0.07 -0.04 6.85 6.98 2cmlC1 LEU 2324 H 0.12 0.65 0.20 -0.55 8.37 8.79 2cmlC1 LEU 2324 HA 0.05 -0.01 0.43 -0.75 4.35 4.06 2cmlC1 LEU 2324 HB2 0.05 0.21 0.19 -0.04 1.64 2.05 2cmlC1 LEU 2324 HB3 0.04 0.01 0.06 -0.04 1.64 1.70 2cmlC1 LEU 2324 HG 0.03 -0.03 -0.08 -0.04 1.64 1.51 2cmlC1 LEU 2324 HD13 -0.00 0.02 -0.04 -0.04 0.93 0.86 2cmlC1 LEU 2324 HD23 0.02 -0.02 -0.19 -0.04 0.89 0.67 2cmlC1 CYS 2325 H 0.03 0.19 0.15 -0.55 8.50 8.33 2cmlC1 CYS 2325 HA 0.03 -0.00 -0.07 -0.75 4.58 3.78 2cmlC1 CYS 2325 HB2 0.02 0.06 -0.43 -0.04 2.97 2.57 2cmlC1 CYS 2325 HB3 0.01 -0.17 -0.51 -0.04 2.97 2.26 2cmlC1 SER 2326 H 0.01 0.09 -0.31 -0.55 8.46 7.70 2cmlC1 SER 2326 HA -0.01 0.03 0.08 -0.75 4.49 3.84 2cmlC1 SER 2326 HB2 -0.01 -0.08 0.14 -0.04 3.95 3.96 2cmlC1 SER 2326 HB3 -0.01 0.06 0.05 -0.04 3.93 3.99 2cmlC1 LYS 2327 H -0.02 0.24 0.02 -0.55 8.42 8.10 2cmlC1 LYS 2327 HA -0.02 0.04 0.31 -0.75 4.32 3.89 2cmlC1 LYS 2327 HB2 -0.02 0.27 -0.21 -0.04 1.87 1.87 2cmlC1 LYS 2327 HB3 -0.02 0.11 -0.07 -0.04 1.79 1.76 2cmlC1 LYS 2327 HG2 -0.02 0.09 -0.21 -0.04 1.46 1.28 2cmlC1 LYS 2327 HG3 -0.02 -0.09 -0.34 -0.04 1.46 0.97 2cmlC1 LYS 2327 HD2 -0.02 0.16 -0.05 -0.04 1.69 1.74 2cmlC1 LYS 2327 HD3 -0.02 -0.08 -0.08 -0.04 1.68 1.46 2cmlC1 LYS 2327 HE2 -0.02 -0.09 -0.25 -0.04 2.99 2.59 2cmlC1 LYS 2327 HE3 -0.02 -0.07 -0.09 -0.04 2.99 2.77 2cmlC1 VAL 2328 H -0.02 0.02 -0.45 -0.55 8.24 7.24 2cmlC1 VAL 2328 HA -0.03 0.05 0.55 -0.75 4.13 3.94 2cmlC1 VAL 2328 HB -0.03 -0.07 0.03 -0.04 2.12 2.00 2cmlC1 VAL 2328 HG13 -0.05 0.01 -0.17 -0.04 0.97 0.72 2cmlC1 VAL 2328 HG23 -0.04 0.03 -0.02 -0.04 0.95 0.89 2cmlC1 LEU 2329 H -0.03 0.17 0.16 -0.55 8.37 8.13 2cmlC1 LEU 2329 HA -0.01 0.02 0.53 -0.75 4.35 4.13 2cmlC1 LEU 2329 HB2 -0.02 0.02 0.05 -0.04 1.64 1.66 2cmlC1 LEU 2329 HB3 -0.01 0.13 -0.04 -0.04 1.64 1.68 2cmlC1 LEU 2329 HG -0.02 0.13 0.05 -0.04 1.64 1.76 2cmlC1 LEU 2329 HD13 -0.02 0.02 -0.08 -0.04 0.93 0.80 2cmlC1 LEU 2329 HD23 -0.02 -0.03 -0.14 -0.04 0.89 0.65 2cmlC1 THR 2330 H -0.01 0.05 0.28 -0.55 8.28 8.05 2cmlC1 THR 2330 HA -0.06 0.26 1.06 -0.75 4.39 4.90 2cmlC1 THR 2330 HB -0.11 0.25 0.28 -0.04 4.32 4.70 2cmlC1 THR 2330 HG23 -0.08 0.01 -0.34 -0.04 1.22 0.77 2cmlC1 ASP 2331 H 0.00 0.33 0.17 -0.55 8.40 8.35 2cmlC1 ASP 2331 HA 0.02 0.06 0.72 -0.75 4.63 4.68 2cmlC1 ASP 2331 HB2 0.04 -0.08 -0.05 -0.04 2.71 2.58 2cmlC1 ASP 2331 HB3 0.03 0.14 0.05 -0.04 2.70 2.88 2cmlC1 THR 2332 H 0.05 0.04 0.05 -0.55 8.28 7.87 2cmlC1 THR 2332 HA 0.04 0.22 0.43 -0.75 4.39 4.32 2cmlC1 THR 2332 HB 0.09 -0.10 -0.28 -0.04 4.32 3.99 2cmlC1 THR 2332 HG23 0.08 -0.05 -0.55 -0.04 1.22 0.66 2cmlC1 SER 2333 H 0.06 -0.03 -0.14 -0.55 8.46 7.81 2cmlC1 SER 2333 HA 0.04 0.38 0.42 -0.75 4.49 4.57 2cmlC1 SER 2333 HB2 0.03 0.44 -0.15 -0.04 3.95 4.23 2cmlC1 SER 2333 HB3 0.03 -0.32 -0.06 -0.04 3.93 3.53 2cmlC1 ARG 2334 H 0.02 0.53 0.26 -0.55 8.46 8.71 2cmlC1 ARG 2334 HA 0.00 0.26 0.36 -0.75 4.34 4.21 2cmlC1 ARG 2334 HB2 -0.01 0.01 0.06 -0.04 1.90 1.93 2cmlC1 ARG 2334 HB3 0.01 0.11 -0.15 -0.04 1.80 1.72 2cmlC1 ARG 2334 HG2 0.01 -0.04 0.03 -0.04 1.67 1.62 2cmlC1 ARG 2334 HG3 -0.00 -0.06 -0.10 -0.04 1.67 1.47 2cmlC1 ARG 2334 HD2 -0.02 -0.10 -0.13 -0.04 3.22 2.93 2cmlC1 ARG 2334 HD3 -0.01 0.22 -0.23 -0.04 3.22 3.16 2cmlC1 PRO 2335 HA -0.00 0.00 0.75 -0.51 4.44 4.68 2cmlC1 PRO 2335 HB2 -0.01 0.06 0.07 -0.04 2.28 2.36 2cmlC1 PRO 2335 HB3 -0.01 -0.11 0.11 -0.04 2.02 1.96 2cmlC1 PRO 2335 HG2 -0.02 0.15 -0.10 -0.04 2.03 2.02 2cmlC1 PRO 2335 HG3 -0.03 0.15 -0.02 -0.04 2.03 2.10 2cmlC1 PRO 2335 HD2 -0.01 0.10 0.02 -0.04 3.68 3.75 2cmlC1 PRO 2335 HD3 -0.01 0.14 -0.42 -0.04 3.65 3.32 2cmlC1 ASN 2336 H -0.01 -0.01 0.08 -0.55 8.53 8.05 2cmlC1 ASN 2336 HA -0.01 0.04 0.52 -0.75 4.76 4.55 2cmlC1 ASN 2336 HB2 -0.01 -0.03 0.06 -0.04 2.88 2.86 2cmlC1 ASN 2336 HB3 -0.01 0.07 0.07 -0.04 2.79 2.87 2cmlC1 ASN 2336 HD21 -0.00 -0.03 0.03 -0.04 7.03 6.99 2cmlC1 ASN 2336 HD22 -0.01 0.00 0.03 -0.04 7.74 7.73 2cmlC1 ASP 2337 H -0.02 0.00 0.14 -0.55 8.40 7.98 2cmlC1 ASP 2337 HA -0.02 0.17 0.51 -0.75 4.63 4.53 2cmlC1 ASP 2337 HB2 -0.02 -0.15 0.10 -0.04 2.71 2.59 2cmlC1 ASP 2337 HB3 -0.02 0.28 0.02 -0.04 2.70 2.93 2cmlC1 PRO 2338 HA -0.02 0.04 0.55 -0.51 4.44 4.50 2cmlC1 PRO 2338 HB2 -0.03 -0.10 0.16 -0.04 2.28 2.27 2cmlC1 PRO 2338 HB3 -0.03 -0.03 0.12 -0.04 2.02 2.04 2cmlC1 PRO 2338 HG2 -0.03 0.24 -0.01 -0.04 2.03 2.19 2cmlC1 PRO 2338 HG3 -0.03 -0.04 0.10 -0.04 2.03 2.02 2cmlC1 PRO 2338 HD2 -0.02 0.43 0.27 -0.04 3.68 4.31 2cmlC1 PRO 2338 HD3 -0.02 0.13 0.23 -0.04 3.65 3.95 2cmlC1 THR 2339 H -0.02 0.05 0.15 -0.55 8.28 7.92 2cmlC1 THR 2339 HA -0.02 0.09 0.54 -0.75 4.39 4.25 2cmlC1 THR 2339 HB -0.02 -0.03 0.10 -0.04 4.32 4.33 2cmlC1 THR 2339 HG23 -0.01 -0.01 0.00 -0.04 1.22 1.16 2cmlC1 ASN 2340 H -0.02 0.10 -0.01 -0.55 8.53 8.04 2cmlC1 ASN 2340 HA -0.02 0.32 0.91 -0.75 4.76 5.22 2cmlC1 ASN 2340 HB2 -0.02 -0.05 0.03 -0.04 2.88 2.80 2cmlC1 ASN 2340 HB3 -0.02 0.02 0.03 -0.04 2.79 2.78 2cmlC1 ASN 2340 HD21 -0.01 -0.02 -0.14 -0.04 7.03 6.82 2cmlC1 ASN 2340 HD22 -0.02 -0.05 -0.12 -0.04 7.74 7.52 2cmlC1 GLY 2341 H -0.02 0.30 0.21 -0.55 8.43 8.38 2cmlC1 GLY 2341 HA2 -0.03 0.15 0.70 -0.51 4.01 4.32 2cmlC1 GLY 2341 HA3 -0.02 0.28 0.04 -0.51 4.01 3.81 2cmlC1 ASN 2342 H -0.02 0.35 -0.05 -0.55 8.53 8.26 2cmlC1 ASN 2342 HA -0.02 -0.01 0.64 -0.75 4.76 4.62 2cmlC1 ASN 2342 HB2 -0.07 0.11 -0.28 -0.04 2.88 2.60 2cmlC1 ASN 2342 HB3 -0.12 0.14 -0.01 -0.04 2.79 2.77 2cmlC1 ASN 2342 HD21 -0.06 -0.03 -0.08 -0.04 7.03 6.81 2cmlC1 ASN 2342 HD22 -0.07 0.06 -0.08 -0.04 7.74 7.60 2cmlC1 CYS 2343 H 0.01 0.13 0.06 -0.55 8.50 8.15 2cmlC1 CYS 2343 HA 0.08 0.26 0.07 -0.75 4.58 4.24 2cmlC1 CYS 2343 HB2 0.03 -0.03 -0.02 -0.04 2.97 2.90 2cmlC1 CYS 2343 HB3 0.04 0.07 0.11 -0.04 2.97 3.15 2cmlC1 ASP 2344 H 0.00 0.03 -0.45 -0.55 8.40 7.43 2cmlC1 ASP 2344 HA 0.15 0.14 0.83 -0.75 4.63 4.99 2cmlC1 ASP 2344 HB2 0.01 -0.03 -0.04 -0.04 2.71 2.61 2cmlC1 ASP 2344 HB3 0.03 0.03 0.09 -0.04 2.70 2.81 2cmlC1 ALA 2345 H -0.14 0.32 -0.04 -0.55 8.40 7.99 2cmlC1 ALA 2345 HA -0.15 0.16 0.57 -0.75 4.34 4.17 2cmlC1 ALA 2345 HB3 -0.13 0.01 -0.06 -0.04 1.41 1.20 2cmlC1 PRO 2346 HA -0.78 0.05 0.45 -0.51 4.44 3.66 2cmlC1 PRO 2346 HB2 -0.24 0.13 -0.45 -0.04 2.28 1.67 2cmlC1 PRO 2346 HB3 -0.22 -0.07 0.05 -0.04 2.02 1.74 2cmlC1 PRO 2346 HG2 -0.29 0.06 -0.03 -0.04 2.03 1.74 2cmlC1 PRO 2346 HG3 -0.31 0.00 0.00 -0.04 2.03 1.68 2cmlC1 PRO 2346 HD2 -0.22 0.12 0.20 -0.04 3.68 3.73 2cmlC1 PRO 2346 HD3 -0.21 0.14 0.11 -0.04 3.65 3.65 2cmlC1 ILE 2347 H -0.21 0.03 0.23 -0.55 8.25 7.75 2cmlC1 ILE 2347 HA -0.13 0.13 0.82 -0.75 4.18 4.25 2cmlC1 ILE 2347 HB -0.08 -0.08 0.17 -0.04 1.89 1.85 2cmlC1 ILE 2347 HG12 -0.10 0.01 -0.03 -0.04 1.49 1.34 2cmlC1 ILE 2347 HG13 -0.15 0.01 -0.20 -0.04 1.21 0.83 2cmlC1 ILE 2347 HG23 -0.06 0.05 -0.04 -0.04 0.93 0.84 2cmlC1 ILE 2347 HD13 -0.06 0.01 -0.04 -0.04 0.88 0.74 2cmlC1 THR 2348 H -0.10 0.07 0.06 -0.55 8.28 7.77 2cmlC1 THR 2348 HA -0.08 0.49 0.57 -0.75 4.39 4.62 2cmlC1 THR 2348 HB -0.07 0.01 0.10 -0.04 4.32 4.32 2cmlC1 THR 2348 HG23 -0.14 0.00 -0.09 -0.04 1.22 0.95 2cmlC1 GLY 2349 H -0.03 0.21 0.14 -0.55 8.43 8.20 2cmlC1 GLY 2349 HA2 -0.02 -0.05 0.27 -0.51 4.01 3.71 2cmlC1 GLY 2349 HA3 -0.02 0.14 0.83 -0.51 4.01 4.45 2cmlC1 GLY 2350 H -0.00 -0.02 -0.04 -0.55 8.43 7.82 2cmlC1 GLY 2350 HA2 0.01 0.08 -0.02 -0.51 4.01 3.57 2cmlC1 GLY 2350 HA3 0.01 0.25 0.14 -0.51 4.01 3.90 2cmlC1 SER 2351 H 0.02 0.29 0.12 -0.55 8.46 8.34 2cmlC1 SER 2351 HA 0.02 0.11 0.46 -0.75 4.49 4.33 2cmlC1 SER 2351 HB2 0.01 0.13 0.01 -0.04 3.95 4.06 2cmlC1 SER 2351 HB3 0.01 -0.12 -0.46 -0.04 3.93 3.33 2cmlC1 PRO 2352 HA 0.02 0.08 0.35 -0.51 4.44 4.38 2cmlC1 PRO 2352 HB2 0.02 0.04 0.07 -0.04 2.28 2.37 2cmlC1 PRO 2352 HB3 0.02 -0.01 0.10 -0.04 2.02 2.09 2cmlC1 PRO 2352 HG2 0.03 0.01 0.07 -0.04 2.03 2.10 2cmlC1 PRO 2352 HG3 0.03 -0.02 0.05 -0.04 2.03 2.05 2cmlC1 PRO 2352 HD2 0.04 0.24 0.34 -0.04 3.68 4.26 2cmlC1 PRO 2352 HD3 0.04 0.08 0.54 -0.04 3.65 4.27 2cmlC1 ASP 2353 H 0.04 0.14 -0.02 -0.55 8.40 8.01 2cmlC1 ASP 2353 HA 0.04 0.12 0.46 -0.75 4.63 4.50 2cmlC1 ASP 2353 HB2 0.06 -0.17 0.12 -0.04 2.71 2.68 2cmlC1 ASP 2353 HB3 0.07 0.11 0.03 -0.04 2.70 2.86 2cmlC1 PRO 2354 HA 0.05 0.18 0.49 -0.51 4.44 4.65 2cmlC1 PRO 2354 HB2 0.07 0.16 0.12 -0.04 2.28 2.59 2cmlC1 PRO 2354 HB3 0.06 -0.01 0.13 -0.04 2.02 2.16 2cmlC1 PRO 2354 HG2 0.07 0.01 0.08 -0.04 2.03 2.14 2cmlC1 PRO 2354 HG3 0.05 -0.04 0.09 -0.04 2.03 2.09 2cmlC1 PRO 2354 HD2 0.05 0.02 0.26 -0.04 3.68 3.97 2cmlC1 PRO 2354 HD3 0.04 0.15 0.24 -0.04 3.65 4.04 2cmlC1 GLY 2355 H 0.07 0.06 -0.17 -0.55 8.43 7.85 2cmlC1 GLY 2355 HA2 0.07 0.13 0.52 -0.51 4.01 4.23 2cmlC1 GLY 2355 HA3 0.09 -0.06 0.09 -0.51 4.01 3.62 2cmlC1 VAL 2356 H 0.05 0.27 0.20 -0.55 8.24 8.21 2cmlC1 VAL 2356 HA 0.12 0.04 0.28 -0.75 4.13 3.82 2cmlC1 VAL 2356 HB 0.15 0.04 -0.02 -0.04 2.12 2.24 2cmlC1 VAL 2356 HG13 0.10 -0.03 -0.12 -0.04 0.97 0.87 2cmlC1 VAL 2356 HG23 0.31 0.01 0.00 -0.04 0.95 1.24 2cmlC1 LYS 2357 H -0.73 0.05 0.12 -0.55 8.42 7.30 2cmlC1 LYS 2357 HA -0.22 0.10 0.67 -0.75 4.32 4.12 2cmlC1 LYS 2357 HB2 -1.01 -0.03 0.19 -0.04 1.87 0.98 2cmlC1 LYS 2357 HB3 -1.27 -0.20 0.25 -0.04 1.79 0.53 2cmlC1 LYS 2357 HG2 -0.09 0.17 -0.07 -0.04 1.46 1.43 2cmlC1 LYS 2357 HG3 -0.13 0.25 0.22 -0.04 1.46 1.75 2cmlC1 LYS 2357 HD2 -0.06 0.09 0.11 -0.04 1.69 1.79 2cmlC1 LYS 2357 HD3 0.08 -0.15 0.04 -0.04 1.68 1.60 2cmlC1 LYS 2357 HE2 0.14 0.05 -0.37 -0.04 2.99 2.76 2cmlC1 LYS 2357 HE3 0.10 -0.01 -0.10 -0.04 2.99 2.94 2cmlC1 GLY 2358 H -0.04 0.24 0.24 -0.55 8.43 8.33 2cmlC1 GLY 2358 HA2 0.11 0.05 0.74 -0.51 4.01 4.41 2cmlC1 GLY 2358 HA3 0.03 0.06 0.32 -0.51 4.01 3.91 2cmlC1 PHE 2359 H -0.13 0.34 0.21 -0.55 8.34 8.21 2cmlC1 PHE 2359 HA -0.08 0.18 0.87 -0.75 4.62 4.84 2cmlC1 PHE 2359 HB2 -0.18 -0.03 0.08 -0.04 3.15 2.98 2cmlC1 PHE 2359 HB3 -0.12 0.10 -0.48 -0.04 3.06 2.52 2cmlC1 PHE 2359 HD2 -0.30 0.01 -0.31 -0.04 7.28 6.64 2cmlC1 PHE 2359 HE2 -0.24 -0.01 -0.18 -0.04 7.38 6.90 2cmlC1 PHE 2359 HZ -1.52 -0.03 -0.21 -0.04 7.32 5.52 2cmlC1 ALA 2360 H 0.01 0.37 0.28 -0.55 8.40 8.51 2cmlC1 ALA 2360 HA -0.38 0.09 0.47 -0.75 4.34 3.76 2cmlC1 ALA 2360 HB3 -0.07 0.04 0.05 -0.04 1.41 1.40 2cmlC1 PHE 2361 H 0.29 0.59 0.30 -0.55 8.34 8.97 2cmlC1 PHE 2361 HA 0.01 0.14 0.83 -0.75 4.62 4.85 2cmlC1 PHE 2361 HB2 0.23 -0.03 0.16 -0.04 3.15 3.47 2cmlC1 PHE 2361 HB3 -0.05 0.05 0.03 -0.04 3.06 3.05 2cmlC1 PHE 2361 HD2 -0.58 0.00 -0.05 -0.04 7.28 6.61 2cmlC1 PHE 2361 HE2 -0.21 0.03 -0.10 -0.04 7.38 7.05 2cmlC1 PHE 2361 HZ -0.16 0.13 0.19 -0.04 7.32 7.44 2cmlC1 LEU 2362 H 0.46 0.27 0.06 -0.55 8.37 8.61 2cmlC1 LEU 2362 HA 0.18 0.05 0.85 -0.75 4.35 4.67 2cmlC1 LEU 2362 HB2 0.18 0.05 0.07 -0.04 1.64 1.90 2cmlC1 LEU 2362 HB3 0.12 -0.10 -0.02 -0.04 1.64 1.60 2cmlC1 LEU 2362 HG 0.17 0.01 -0.41 -0.04 1.64 1.37 2cmlC1 LEU 2362 HD13 0.08 0.02 -0.12 -0.04 0.93 0.86 2cmlC1 LEU 2362 HD23 0.08 0.03 -0.25 -0.04 0.89 0.71 2cmlC1 ASP 2363 H 0.14 0.16 -0.22 -0.55 8.40 7.94 2cmlC1 ASP 2363 HA 0.13 0.13 0.54 -0.75 4.63 4.67 2cmlC1 ASP 2363 HB2 0.19 0.04 -0.27 -0.04 2.71 2.63 2cmlC1 ASP 2363 HB3 0.14 0.33 -0.04 -0.04 2.70 3.10 2cmlC1 GLY 2364 H 0.07 0.14 -0.03 -0.55 8.43 8.07 2cmlC1 GLY 2364 HA2 0.03 0.05 0.34 -0.51 4.01 3.91 2cmlC1 GLY 2364 HA3 0.03 0.09 0.42 -0.51 4.01 4.04 2cmlC1 GLU 2365 H 0.01 0.19 0.22 -0.55 8.60 8.48 2cmlC1 GLU 2365 HA -0.02 -0.01 0.56 -0.75 4.29 4.07 2cmlC1 GLU 2365 HB2 0.00 0.05 0.09 -0.04 2.09 2.19 2cmlC1 GLU 2365 HB3 -0.02 0.06 0.13 -0.04 1.99 2.11 2cmlC1 GLU 2365 HG2 0.00 -0.09 0.14 -0.04 2.34 2.35 2cmlC1 GLU 2365 HG3 -0.00 0.05 0.07 -0.04 2.34 2.41 2cmlC1 ASN 2366 H 0.04 0.41 -0.23 -0.55 8.53 8.20 2cmlC1 ASN 2366 HA 0.04 0.18 0.51 -0.75 4.76 4.73 2cmlC1 ASN 2366 HB2 0.05 -0.07 0.06 -0.04 2.88 2.88 2cmlC1 ASN 2366 HB3 0.08 0.11 0.16 -0.04 2.79 3.10 2cmlC1 ASN 2366 HD21 0.03 0.40 -0.00 -0.04 7.03 7.41 2cmlC1 ASN 2366 HD22 0.07 -0.05 -0.05 -0.04 7.74 7.68 2cmlC1 SER 2367 H -0.04 0.38 -0.42 -0.55 8.46 7.84 2cmlC1 SER 2367 HA 0.22 0.21 0.86 -0.75 4.49 5.03 2cmlC1 SER 2367 HB2 0.01 0.12 0.01 -0.04 3.95 4.05 2cmlC1 SER 2367 HB3 0.09 0.12 0.09 -0.04 3.93 4.19 2cmlC1 TRP 2368 H 0.44 0.51 0.31 -0.55 7.97 8.68 2cmlC1 TRP 2368 HA 0.11 0.30 1.13 -0.75 4.62 5.40 2cmlC1 TRP 2368 HB2 0.45 -0.06 0.01 -0.04 3.23 3.59 2cmlC1 TRP 2368 HB3 0.30 -0.00 -0.23 -0.04 3.23 3.26 2cmlC1 TRP 2368 HD1 0.13 0.01 -0.38 -0.04 7.22 6.94 2cmlC1 TRP 2368 HE1 -0.06 0.41 -0.18 -0.04 10.20 10.32 2cmlC1 TRP 2368 HE3 0.30 -0.05 -0.50 -0.04 7.59 7.31 2cmlC1 TRP 2368 HZ2 -0.02 0.04 -0.45 -0.04 7.44 6.98 2cmlC1 TRP 2368 HZ3 0.31 0.03 -0.55 -0.04 7.13 6.89 2cmlC1 TRP 2368 HH2 0.18 0.08 -0.34 -0.04 7.19 7.08 2cmlC1 LEU 2369 H 0.14 0.77 0.36 -0.55 8.37 9.09 2cmlC1 LEU 2369 HA -0.16 0.12 1.09 -0.75 4.35 4.65 2cmlC1 LEU 2369 HB2 -0.06 0.00 0.04 -0.04 1.64 1.58 2cmlC1 LEU 2369 HB3 -0.11 0.17 0.04 -0.04 1.64 1.69 2cmlC1 LEU 2369 HG -0.02 -0.06 -0.09 -0.04 1.64 1.43 2cmlC1 LEU 2369 HD13 -0.04 0.01 -0.07 -0.04 0.93 0.80 2cmlC1 LEU 2369 HD23 0.00 -0.02 -0.21 -0.04 0.89 0.62 2cmlC1 GLY 2370 H -0.69 0.34 0.31 -0.55 8.43 7.84 2cmlC1 GLY 2370 HA2 -0.32 0.23 0.93 -0.51 4.01 4.33 2cmlC1 GLY 2370 HA3 -0.50 -0.05 0.34 -0.51 4.01 3.29 2cmlC1 ARG 2371 H -0.74 0.39 0.32 -0.55 8.46 7.88 2cmlC1 ARG 2371 HA -0.23 0.09 0.16 -0.75 4.34 3.61 2cmlC1 ARG 2371 HB2 -0.13 0.11 0.14 -0.04 1.90 1.97 2cmlC1 ARG 2371 HB3 -0.16 0.12 0.31 -0.04 1.80 2.03 2cmlC1 ARG 2371 HG2 -0.19 -0.14 -0.22 -0.04 1.67 1.08 2cmlC1 ARG 2371 HG3 -0.19 0.12 -0.27 -0.04 1.67 1.30 2cmlC1 ARG 2371 HD2 -0.08 0.15 0.02 -0.04 3.22 3.27 2cmlC1 ARG 2371 HD3 -0.09 -0.01 -0.13 -0.04 3.22 2.95 2cmlC1 THR 2372 H -0.09 0.20 0.05 -0.55 8.28 7.90 2cmlC1 THR 2372 HA -0.08 0.08 0.55 -0.75 4.39 4.19 2cmlC1 THR 2372 HB 0.10 0.02 0.14 -0.04 4.32 4.54 2cmlC1 THR 2372 HG23 0.23 -0.04 0.05 -0.04 1.22 1.42 2cmlC1 ILE 2373 H 0.00 0.14 -0.12 -0.55 8.25 7.72 2cmlC1 ILE 2373 HA -0.05 0.12 0.40 -0.75 4.18 3.89 2cmlC1 ILE 2373 HB 0.00 -0.05 0.14 -0.04 1.89 1.93 2cmlC1 ILE 2373 HG12 -0.03 0.09 -0.17 -0.04 1.49 1.35 2cmlC1 ILE 2373 HG13 0.00 -0.10 -0.14 -0.04 1.21 0.93 2cmlC1 ILE 2373 HG23 -0.01 -0.02 -0.09 -0.04 0.93 0.78 2cmlC1 ILE 2373 HD13 0.04 -0.03 0.03 -0.04 0.88 0.88 2cmlC1 SER 2374 H 0.02 0.35 0.16 -0.55 8.46 8.44 2cmlC1 SER 2374 HA 0.01 -0.01 0.66 -0.75 4.49 4.40 2cmlC1 SER 2374 HB2 0.03 0.01 0.16 -0.04 3.95 4.11 2cmlC1 SER 2374 HB3 0.08 0.22 0.21 -0.04 3.93 4.39 2cmlC1 LYS 2375 H 0.01 0.07 0.20 -0.55 8.42 8.15 2cmlC1 LYS 2375 HA 0.01 0.31 0.66 -0.75 4.32 4.55 2cmlC1 LYS 2375 HB2 0.00 0.16 0.00 -0.04 1.87 2.00 2cmlC1 LYS 2375 HB3 -0.00 0.06 0.04 -0.04 1.79 1.85 2cmlC1 LYS 2375 HG2 0.01 -0.08 0.09 -0.04 1.46 1.43 2cmlC1 LYS 2375 HG3 0.01 -0.02 -0.06 -0.04 1.46 1.36 2cmlC1 LYS 2375 HD2 0.00 0.15 -0.25 -0.04 1.69 1.55 2cmlC1 LYS 2375 HD3 -0.00 -0.01 -0.12 -0.04 1.68 1.51 2cmlC1 LYS 2375 HE2 -0.00 -0.07 -0.00 -0.04 2.99 2.87 2cmlC1 LYS 2375 HE3 0.00 -0.04 0.00 -0.04 2.99 2.92 2cmlC1 ASP 2376 H 0.04 -0.06 0.02 -0.55 8.40 7.86 2cmlC1 ASP 2376 HA 0.04 0.23 0.84 -0.75 4.63 4.98 2cmlC1 ASP 2376 HB2 0.06 -0.10 0.10 -0.04 2.71 2.73 2cmlC1 ASP 2376 HB3 0.05 0.11 0.24 -0.04 2.70 3.05 2cmlC1 SER 2377 H 0.09 0.12 -0.13 -0.55 8.46 7.99 2cmlC1 SER 2377 HA 0.12 0.21 0.67 -0.75 4.49 4.73 2cmlC1 SER 2377 HB2 0.19 -0.05 -0.02 -0.04 3.95 4.03 2cmlC1 SER 2377 HB3 0.31 -0.00 -0.04 -0.04 3.93 4.16 2cmlC1 ARG 2378 H 0.19 0.16 0.05 -0.55 8.46 8.31 2cmlC1 ARG 2378 HA 0.21 0.24 0.62 -0.75 4.34 4.65 2cmlC1 ARG 2378 HB2 0.15 -0.02 0.16 -0.04 1.90 2.15 2cmlC1 ARG 2378 HB3 0.22 -0.00 0.02 -0.04 1.80 2.00 2cmlC1 ARG 2378 HG2 0.21 0.08 -0.01 -0.04 1.67 1.92 2cmlC1 ARG 2378 HG3 0.16 0.02 -0.11 -0.04 1.67 1.69 2cmlC1 ARG 2378 HD2 0.09 -0.03 0.05 -0.04 3.22 3.28 2cmlC1 ARG 2378 HD3 0.14 -0.05 0.05 -0.04 3.22 3.32 2cmlC1 SER 2379 H 0.20 0.51 -0.27 -0.55 8.46 8.36 2cmlC1 SER 2379 HA 0.23 0.06 1.06 -0.75 4.49 5.08 2cmlC1 SER 2379 HB2 -0.24 0.06 -0.16 -0.04 3.95 3.57 2cmlC1 SER 2379 HB3 -0.21 -0.02 -0.19 -0.04 3.93 3.47 2cmlC1 GLY 2380 H 0.07 0.66 0.19 -0.55 8.43 8.80 2cmlC1 GLY 2380 HA2 0.09 0.17 -0.00 -0.51 4.01 3.76 2cmlC1 GLY 2380 HA3 0.04 -0.09 0.38 -0.51 4.01 3.84 2cmlC1 TYR 2381 H 0.15 0.58 0.33 -0.55 8.29 8.81 2cmlC1 TYR 2381 HA 0.07 0.32 0.63 -0.75 4.56 4.83 2cmlC1 TYR 2381 HB2 0.14 0.04 -0.22 -0.04 3.06 2.99 2cmlC1 TYR 2381 HB3 0.16 -0.19 -0.04 -0.04 2.98 2.87 2cmlC1 TYR 2381 HD2 0.09 -0.05 -0.16 -0.04 7.15 6.99 2cmlC1 TYR 2381 HE2 -0.10 0.04 -0.12 -0.04 6.85 6.62 2cmlC1 GLU 2382 H -0.68 0.75 0.30 -0.55 8.60 8.42 2cmlC1 GLU 2382 HA 0.09 0.07 1.07 -0.75 4.29 4.76 2cmlC1 GLU 2382 HB2 0.02 0.02 -0.07 -0.04 2.09 2.03 2cmlC1 GLU 2382 HB3 -0.01 -0.11 -0.15 -0.04 1.99 1.68 2cmlC1 GLU 2382 HG2 -0.21 0.18 -0.15 -0.04 2.34 2.12 2cmlC1 GLU 2382 HG3 -0.13 0.02 -0.18 -0.04 2.34 2.01 2cmlC1 MET 2383 H 0.14 0.69 0.33 -0.55 8.47 9.08 2cmlC1 MET 2383 HA -0.01 0.31 0.96 -0.75 4.52 5.02 2cmlC1 MET 2383 HB2 0.14 -0.05 0.05 -0.04 2.15 2.24 2cmlC1 MET 2383 HB3 0.23 -0.00 -0.16 -0.04 2.03 2.06 2cmlC1 MET 2383 HG2 -0.26 -0.05 -0.22 -0.04 2.63 2.07 2cmlC1 MET 2383 HG3 -1.43 -0.02 -0.19 -0.04 2.56 0.87 2cmlC1 MET 2383 HE3 -0.37 -0.02 -0.39 -0.04 2.10 1.28 2cmlC1 LEU 2384 H 0.28 0.50 0.18 -0.55 8.37 8.79 2cmlC1 LEU 2384 HA 0.10 0.25 1.11 -0.75 4.35 5.05 2cmlC1 LEU 2384 HB2 -0.02 -0.01 0.10 -0.04 1.64 1.67 2cmlC1 LEU 2384 HB3 -0.04 0.00 -0.02 -0.04 1.64 1.53 2cmlC1 LEU 2384 HG -0.02 0.06 -0.37 -0.04 1.64 1.27 2cmlC1 LEU 2384 HD13 -0.04 0.01 -0.12 -0.04 0.93 0.73 2cmlC1 LEU 2384 HD23 0.03 0.04 -0.14 -0.04 0.89 0.79 2cmlC1 LYS 2385 H -0.54 0.48 0.17 -0.55 8.42 7.97 2cmlC1 LYS 2385 HA -1.08 0.23 0.84 -0.75 4.32 3.55 2cmlC1 LYS 2385 HB2 -2.95 -0.00 -0.02 -0.04 1.87 -1.14 2cmlC1 LYS 2385 HB3 -0.79 -0.13 0.22 -0.04 1.79 1.05 2cmlC1 LYS 2385 HG2 -0.47 -0.06 -0.02 -0.04 1.46 0.87 2cmlC1 LYS 2385 HG3 -0.89 0.14 0.03 -0.04 1.46 0.70 2cmlC1 LYS 2385 HD2 -0.48 0.04 -0.04 -0.04 1.69 1.17 2cmlC1 LYS 2385 HD3 -0.26 -0.05 0.01 -0.04 1.68 1.34 2cmlC1 LYS 2385 HE2 -0.14 0.01 0.04 -0.04 2.99 2.86 2cmlC1 LYS 2385 HE3 -0.12 -0.08 0.03 -0.04 2.99 2.78 2cmlC1 VAL 2386 H -0.25 0.53 0.20 -0.55 8.24 8.17 2cmlC1 VAL 2386 HA -0.14 0.29 0.85 -0.75 4.13 4.38 2cmlC1 VAL 2386 HB -0.06 -0.10 0.03 -0.04 2.12 1.95 2cmlC1 VAL 2386 HG13 -0.05 0.01 -0.39 -0.04 0.97 0.50 2cmlC1 VAL 2386 HG23 -0.08 0.02 -0.37 -0.04 0.95 0.48 2cmlC1 PRO 2387 HA -0.05 0.06 0.52 -0.51 4.44 4.45 2cmlC1 PRO 2387 HB2 -0.05 -0.00 0.09 -0.04 2.28 2.28 2cmlC1 PRO 2387 HB3 -0.04 -0.09 0.18 -0.04 2.02 2.03 2cmlC1 PRO 2387 HG2 -0.08 0.01 0.12 -0.04 2.03 2.05 2cmlC1 PRO 2387 HG3 -0.11 0.19 0.18 -0.04 2.03 2.25 2cmlC1 PRO 2387 HD2 -0.10 0.21 0.22 -0.04 3.68 3.97 2cmlC1 PRO 2387 HD3 -0.19 0.13 -0.13 -0.04 3.65 3.41 2cmlC1 ASN 2388 H -0.00 0.65 0.22 -0.55 8.53 8.85 2cmlC1 ASN 2388 HA 0.01 -0.10 0.34 -0.75 4.76 4.26 2cmlC1 ASN 2388 HB2 -0.01 0.28 -0.24 -0.04 2.88 2.87 2cmlC1 ASN 2388 HB3 0.00 -0.10 0.12 -0.04 2.79 2.78 2cmlC1 ASN 2388 HD21 -0.01 -0.01 -0.11 -0.04 7.03 6.87 2cmlC1 ASN 2388 HD22 -0.01 0.09 -0.17 -0.04 7.74 7.61 2cmlC1 ALA 2389 H -0.01 0.53 -0.25 -0.55 8.40 8.12 2cmlC1 ALA 2389 HA -0.00 0.12 0.37 -0.75 4.34 4.07 2cmlC1 ALA 2389 HB3 0.00 0.03 -0.00 -0.04 1.41 1.40 2cmlC1 GLU 2390 H 0.03 -0.02 -0.42 -0.55 8.60 7.65 2cmlC1 GLU 2390 HA 0.03 0.10 0.50 -0.75 4.29 4.17 2cmlC1 GLU 2390 HB2 0.06 -0.05 -0.01 -0.04 2.09 2.05 2cmlC1 GLU 2390 HB3 0.05 -0.05 -0.07 -0.04 1.99 1.88 2cmlC1 GLU 2390 HG2 0.04 0.04 -0.03 -0.04 2.34 2.34 2cmlC1 GLU 2390 HG3 0.04 0.04 0.01 -0.04 2.34 2.40 2cmlC1 THR 2391 H 0.02 0.41 -0.15 -0.55 8.28 8.01 2cmlC1 THR 2391 HA 0.02 0.29 1.11 -0.75 4.39 5.05 2cmlC1 THR 2391 HB 0.01 -0.00 0.09 -0.04 4.32 4.38 2cmlC1 THR 2391 HG23 0.02 -0.02 -0.17 -0.04 1.22 1.01 2cmlC1 ASP 2392 H 0.01 0.44 0.02 -0.55 8.40 8.32 2cmlC1 ASP 2392 HA -0.00 0.13 0.78 -0.75 4.63 4.78 2cmlC1 ASP 2392 HB2 -0.00 -0.02 -0.10 -0.04 2.71 2.55 2cmlC1 ASP 2392 HB3 -0.01 0.13 0.12 -0.04 2.70 2.90 2cmlC1 ILE 2393 H -0.00 0.20 0.10 -0.55 8.25 7.99 2cmlC1 ILE 2393 HA -0.01 0.36 0.15 -0.75 4.18 3.93 2cmlC1 ILE 2393 HB -0.01 -0.09 0.09 -0.04 1.89 1.83 2cmlC1 ILE 2393 HG12 -0.01 -0.06 0.07 -0.04 1.49 1.45 2cmlC1 ILE 2393 HG13 -0.01 0.03 -0.14 -0.04 1.21 1.04 2cmlC1 ILE 2393 HG23 -0.01 0.04 -0.12 -0.04 0.93 0.80 2cmlC1 ILE 2393 HD13 -0.01 0.01 -0.01 -0.04 0.88 0.82 2cmlC1 GLN 2394 H -0.01 0.00 -0.34 -0.55 8.47 7.57 2cmlC1 GLN 2394 HA -0.02 0.36 0.85 -0.75 4.36 4.80 2cmlC1 GLN 2394 HB2 -0.01 -0.05 -0.04 -0.04 2.15 2.00 2cmlC1 GLN 2394 HB3 -0.01 0.05 0.12 -0.04 2.02 2.13 2cmlC1 GLN 2394 HG2 -0.01 0.11 -0.06 -0.04 2.40 2.40 2cmlC1 GLN 2394 HG3 -0.01 -0.12 -0.04 -0.04 2.39 2.18 2cmlC1 GLN 2394 HE21 -0.01 -0.03 -0.01 -0.04 6.97 6.88 2cmlC1 GLN 2394 HE22 -0.01 0.06 -0.02 -0.04 7.69 7.67 2cmlC1 SER 2395 H -0.01 0.28 -0.29 -0.55 8.46 7.89 2cmlC1 SER 2395 HA -0.03 -0.02 0.38 -0.75 4.49 4.07 2cmlC1 SER 2395 HB2 -0.03 0.21 -0.15 -0.04 3.95 3.94 2cmlC1 SER 2395 HB3 -0.02 -0.10 -0.01 -0.04 3.93 3.77 2cmlC1 GLY 2396 H -0.04 0.10 0.18 -0.55 8.43 8.12 2cmlC1 GLY 2396 HA2 -0.04 0.16 0.75 -0.51 4.01 4.37 2cmlC1 GLY 2396 HA3 -0.03 0.06 0.27 -0.51 4.01 3.79 2cmlC1 PRO 2397 HA -0.11 0.19 0.45 -0.51 4.44 4.46 2cmlC1 PRO 2397 HB2 -0.04 -0.03 -0.02 -0.04 2.28 2.15 2cmlC1 PRO 2397 HB3 -0.06 0.06 0.03 -0.04 2.02 2.00 2cmlC1 PRO 2397 HG2 -0.03 0.03 0.02 -0.04 2.03 2.00 2cmlC1 PRO 2397 HG3 -0.05 0.05 -0.02 -0.04 2.03 1.98 2cmlC1 PRO 2397 HD2 -0.03 0.08 0.15 -0.04 3.68 3.83 2cmlC1 PRO 2397 HD3 -0.04 0.13 0.17 -0.04 3.65 3.86 2cmlC1 ILE 2398 H -0.16 0.77 0.51 -0.55 8.25 8.82 2cmlC1 ILE 2398 HA -0.06 0.21 1.06 -0.75 4.18 4.63 2cmlC1 ILE 2398 HB -0.07 -0.06 0.17 -0.04 1.89 1.89 2cmlC1 ILE 2398 HG12 -0.17 0.05 0.12 -0.04 1.49 1.44 2cmlC1 ILE 2398 HG13 -0.21 -0.01 0.06 -0.04 1.21 1.01 2cmlC1 ILE 2398 HG23 -0.07 0.01 0.05 -0.04 0.93 0.88 2cmlC1 ILE 2398 HD13 -0.10 -0.02 0.02 -0.04 0.88 0.73 2cmlC1 SER 2399 H -0.19 0.27 0.29 -0.55 8.46 8.29 2cmlC1 SER 2399 HA -0.00 0.13 0.38 -0.75 4.49 4.24 2cmlC1 SER 2399 HB2 0.10 0.00 0.19 -0.04 3.95 4.21 2cmlC1 SER 2399 HB3 -0.00 0.14 0.08 -0.04 3.93 4.10 2cmlC1 ASN 2400 H 0.13 0.29 0.20 -0.55 8.53 8.60 2cmlC1 ASN 2400 HA 0.23 0.38 0.87 -0.75 4.76 5.48 2cmlC1 ASN 2400 HB2 0.11 0.03 0.02 -0.04 2.88 3.01 2cmlC1 ASN 2400 HB3 0.06 0.02 -0.13 -0.04 2.79 2.70 2cmlC1 ASN 2400 HD21 0.06 -0.01 -0.02 -0.04 7.03 7.01 2cmlC1 ASN 2400 HD22 0.05 0.01 -0.07 -0.04 7.74 7.69 2cmlC1 GLN 2401 H 0.34 0.63 0.23 -0.55 8.47 9.12 2cmlC1 GLN 2401 HA 0.24 0.10 0.47 -0.75 4.36 4.42 2cmlC1 GLN 2401 HB2 0.46 0.03 -0.05 -0.04 2.15 2.56 2cmlC1 GLN 2401 HB3 0.37 -0.08 0.03 -0.04 2.02 2.30 2cmlC1 GLN 2401 HG2 0.30 0.14 -0.13 -0.04 2.40 2.67 2cmlC1 GLN 2401 HG3 0.27 0.04 0.10 -0.04 2.39 2.76 2cmlC1 GLN 2401 HE21 0.39 0.28 0.08 -0.04 6.97 7.68 2cmlC1 GLN 2401 HE22 0.38 0.05 -0.05 -0.04 7.69 8.04 2cmlC1 VAL 2402 H 0.17 0.15 0.01 -0.55 8.24 8.02 2cmlC1 VAL 2402 HA 0.15 0.14 0.84 -0.75 4.13 4.50 2cmlC1 VAL 2402 HB 0.13 0.00 0.05 -0.04 2.12 2.26 2cmlC1 VAL 2402 HG13 0.11 0.01 -0.32 -0.04 0.97 0.73 2cmlC1 VAL 2402 HG23 0.08 0.01 -0.01 -0.04 0.95 0.99 2cmlC1 ILE 2403 H 0.23 0.61 0.31 -0.55 8.25 8.85 2cmlC1 ILE 2403 HA 0.39 0.18 0.70 -0.75 4.18 4.69 2cmlC1 ILE 2403 HB 0.47 -0.02 -0.15 -0.04 1.89 2.15 2cmlC1 ILE 2403 HG12 0.27 0.03 -0.21 -0.04 1.49 1.55 2cmlC1 ILE 2403 HG13 0.44 0.01 -0.23 -0.04 1.21 1.38 2cmlC1 ILE 2403 HG23 0.35 -0.00 -0.20 -0.04 0.93 1.03 2cmlC1 ILE 2403 HD13 0.30 0.00 -0.33 -0.04 0.88 0.82 2cmlC1 VAL 2404 H 0.28 0.41 0.24 -0.55 8.24 8.62 2cmlC1 VAL 2404 HA 0.20 -0.02 0.62 -0.75 4.13 4.18 2cmlC1 VAL 2404 HB 0.23 -0.06 -0.12 -0.04 2.12 2.13 2cmlC1 VAL 2404 HG13 0.17 0.07 -0.14 -0.04 0.97 1.02 2cmlC1 VAL 2404 HG23 0.25 0.03 -0.28 -0.04 0.95 0.91 2cmlC1 ASN 2405 H 0.10 0.06 0.05 -0.55 8.53 8.20 2cmlC1 ASN 2405 HA 0.04 0.18 0.65 -0.75 4.76 4.88 2cmlC1 ASN 2405 HB2 -0.02 0.02 0.13 -0.04 2.88 2.97 2cmlC1 ASN 2405 HB3 0.02 0.07 0.09 -0.04 2.79 2.93 2cmlC1 ASN 2405 HD21 -0.18 0.05 -0.01 -0.04 7.03 6.85 2cmlC1 ASN 2405 HD22 -0.03 0.05 0.03 -0.04 7.74 7.75 2cmlC1 ASN 2406 H -0.02 0.19 0.16 -0.55 8.53 8.31 2cmlC1 ASN 2406 HA -0.06 0.15 0.29 -0.75 4.76 4.39 2cmlC1 ASN 2406 HB2 -0.02 0.02 0.10 -0.04 2.88 2.93 2cmlC1 ASN 2406 HB3 -0.05 0.03 0.04 -0.04 2.79 2.77 2cmlC1 ASN 2406 HD21 -0.02 -0.02 0.01 -0.04 7.03 6.96 2cmlC1 ASN 2406 HD22 -0.03 0.02 -0.02 -0.04 7.74 7.67 2cmlC1 GLN 2407 H -0.13 -0.03 -0.61 -0.55 8.47 7.15 2cmlC1 GLN 2407 HA -0.26 0.23 0.80 -0.75 4.36 4.37 2cmlC1 GLN 2407 HB2 -0.18 -0.06 -0.02 -0.04 2.15 1.85 2cmlC1 GLN 2407 HB3 -0.20 0.02 0.12 -0.04 2.02 1.92 2cmlC1 GLN 2407 HG2 -0.13 0.07 0.01 -0.04 2.40 2.31 2cmlC1 GLN 2407 HG3 -0.11 -0.07 -0.15 -0.04 2.39 2.01 2cmlC1 GLN 2407 HE21 -0.07 0.01 -0.00 -0.04 6.97 6.86 2cmlC1 GLN 2407 HE22 -0.09 0.02 0.01 -0.04 7.69 7.59 2cmlC1 ASN 2408 H -0.20 0.50 -0.01 -0.55 8.53 8.27 2cmlC1 ASN 2408 HA -0.38 0.16 0.95 -0.75 4.76 4.73 2cmlC1 ASN 2408 HB2 -0.03 0.01 0.06 -0.04 2.88 2.88 2cmlC1 ASN 2408 HB3 0.04 0.06 0.04 -0.04 2.79 2.89 2cmlC1 ASN 2408 HD21 -0.61 0.05 -0.10 -0.04 7.03 6.33 2cmlC1 ASN 2408 HD22 -0.28 -0.11 -0.15 -0.04 7.74 7.15 2cmlC1 TRP 2409 H -0.13 0.09 0.19 -0.55 7.97 7.58 2cmlC1 TRP 2409 HA 0.07 0.11 0.74 -0.75 4.62 4.79 2cmlC1 TRP 2409 HB2 0.06 0.01 0.20 -0.04 3.23 3.46 2cmlC1 TRP 2409 HB3 0.06 0.19 0.21 -0.04 3.23 3.65 2cmlC1 TRP 2409 HD1 0.02 -0.07 0.11 -0.04 7.22 7.24 2cmlC1 TRP 2409 HE1 -0.02 -0.03 -0.02 -0.04 10.20 10.10 2cmlC1 TRP 2409 HE3 0.04 0.24 -0.20 -0.04 7.59 7.64 2cmlC1 TRP 2409 HZ2 -0.01 0.03 -0.02 -0.04 7.44 7.40 2cmlC1 TRP 2409 HZ3 0.02 -0.07 -0.17 -0.04 7.13 6.87 2cmlC1 TRP 2409 HH2 0.00 0.01 -0.04 -0.04 7.19 7.12 2cmlC1 SER 2410 H 0.39 0.77 0.28 -0.55 8.46 9.36 2cmlC1 SER 2410 HA 0.24 0.07 0.75 -0.75 4.49 4.79 2cmlC1 SER 2410 HB2 0.28 0.00 0.06 -0.04 3.95 4.25 2cmlC1 SER 2410 HB3 0.28 -0.12 -0.24 -0.04 3.93 3.80 2cmlC1 GLY 2411 H 0.26 0.28 0.20 -0.55 8.43 8.62 2cmlC1 GLY 2411 HA2 0.21 -0.00 0.52 -0.51 4.01 4.22 2cmlC1 GLY 2411 HA3 0.18 -0.00 0.46 -0.51 4.01 4.14 2cmlC1 TYR 2412 H 0.30 0.02 0.22 -0.55 8.29 8.28 2cmlC1 TYR 2412 HA 0.14 0.25 0.67 -0.75 4.56 4.87 2cmlC1 TYR 2412 HB2 0.20 -0.13 0.22 -0.04 3.06 3.30 2cmlC1 TYR 2412 HB3 0.23 0.15 0.08 -0.04 2.98 3.39 2cmlC1 TYR 2412 HD2 0.14 0.04 0.06 -0.04 7.15 7.35 2cmlC1 TYR 2412 HE2 0.09 0.05 0.09 -0.04 6.85 7.04 2cmlC1 SER 2413 H 0.10 0.54 0.20 -0.55 8.46 8.75 2cmlC1 SER 2413 HA -0.39 0.12 0.54 -0.75 4.49 4.00 2cmlC1 SER 2413 HB2 -0.06 -0.03 0.15 -0.04 3.95 3.97 2cmlC1 SER 2413 HB3 -0.30 -0.01 0.11 -0.04 3.93 3.68 2cmlC1 GLY 2414 H -0.98 0.31 0.31 -0.55 8.43 7.53 2cmlC1 GLY 2414 HA2 -0.07 0.22 0.76 -0.51 4.01 4.41 2cmlC1 GLY 2414 HA3 -0.06 0.08 0.18 -0.51 4.01 3.70 2cmlC1 ALA 2415 H -0.03 0.17 0.24 -0.55 8.40 8.24 2cmlC1 ALA 2415 HA -0.29 0.24 0.79 -0.75 4.34 4.32 2cmlC1 ALA 2415 HB3 -0.19 -0.01 -0.04 -0.04 1.41 1.14 2cmlC1 PHE 2416 H -0.09 0.61 0.36 -0.55 8.34 8.67 2cmlC1 PHE 2416 HA 0.15 0.16 0.39 -0.75 4.62 4.56 2cmlC1 PHE 2416 HB2 0.11 -0.06 0.16 -0.04 3.15 3.32 2cmlC1 PHE 2416 HB3 0.14 0.15 0.15 -0.04 3.06 3.47 2cmlC1 PHE 2416 HD2 0.11 0.00 -0.30 -0.04 7.28 7.05 2cmlC1 PHE 2416 HE2 -0.00 -0.01 -0.34 -0.04 7.38 6.99 2cmlC1 PHE 2416 HZ -0.08 -0.01 -0.20 -0.04 7.32 6.99 2cmlC1 ILE 2417 H 0.15 0.29 0.23 -0.55 8.25 8.37 2cmlC1 ILE 2417 HA -0.30 0.23 0.69 -0.75 4.18 4.05 2cmlC1 ILE 2417 HB -1.26 -0.04 0.06 -0.04 1.89 0.61 2cmlC1 ILE 2417 HG12 -0.20 0.09 -0.08 -0.04 1.49 1.25 2cmlC1 ILE 2417 HG13 0.10 -0.03 -0.39 -0.04 1.21 0.85 2cmlC1 ILE 2417 HG23 -0.67 0.02 -0.27 -0.04 0.93 -0.04 2cmlC1 ILE 2417 HD13 0.11 -0.02 -0.11 -0.04 0.88 0.81 2cmlC1 ASP 2418 H -0.10 0.28 0.06 -0.55 8.40 8.10 2cmlC1 ASP 2418 HA 0.25 0.08 0.83 -0.75 4.63 5.04 2cmlC1 ASP 2418 HB2 0.14 0.04 0.07 -0.04 2.71 2.92 2cmlC1 ASP 2418 HB3 0.06 0.05 0.21 -0.04 2.70 2.98 2cmlC1 TYR 2419 H -0.15 0.35 -0.00 -0.55 8.29 7.94 2cmlC1 TYR 2419 HA -0.44 0.07 0.18 -0.75 4.56 3.62 2cmlC1 TYR 2419 HB2 -2.07 -0.01 0.03 -0.04 3.06 0.97 2cmlC1 TYR 2419 HB3 -1.10 0.02 0.07 -0.04 2.98 1.93 2cmlC1 TYR 2419 HD2 -1.31 0.01 0.08 -0.04 7.15 5.89 2cmlC1 TYR 2419 HE2 -0.25 0.17 0.15 -0.04 6.85 6.88 2cmlC1 TRP 2420 H 0.41 -0.06 -0.72 -0.55 7.97 7.06 2cmlC1 TRP 2420 HA 0.14 0.24 0.75 -0.75 4.62 4.99 2cmlC1 TRP 2420 HB2 0.05 0.04 -0.14 -0.04 3.23 3.14 2cmlC1 TRP 2420 HB3 0.06 0.08 0.09 -0.04 3.23 3.42 2cmlC1 TRP 2420 HD1 0.09 0.09 -0.02 -0.04 7.22 7.34 2cmlC1 TRP 2420 HE1 0.14 0.01 -0.03 -0.04 10.20 10.28 2cmlC1 TRP 2420 HE3 0.09 -0.00 -0.16 -0.04 7.59 7.48 2cmlC1 TRP 2420 HZ2 0.22 -0.07 -0.20 -0.04 7.44 7.35 2cmlC1 TRP 2420 HZ3 0.21 0.01 -0.05 -0.04 7.13 7.25 2cmlC1 TRP 2420 HH2 0.18 0.12 0.07 -0.04 7.19 7.52 2cmlC1 ALA 2421 H 0.16 0.37 -0.14 -0.55 8.40 8.25 2cmlC1 ALA 2421 HA 0.12 0.00 0.49 -0.75 4.34 4.20 2cmlC1 ALA 2421 HB3 0.08 -0.01 0.06 -0.04 1.41 1.50 2cmlC1 ASN 2422 H 0.07 0.10 0.11 -0.55 8.53 8.26 2cmlC1 ASN 2422 HA 0.07 0.19 0.71 -0.75 4.76 4.97 2cmlC1 ASN 2422 HB2 0.06 0.05 0.13 -0.04 2.88 3.08 2cmlC1 ASN 2422 HB3 0.04 -0.04 0.23 -0.04 2.79 2.97 2cmlC1 ASN 2422 HD21 0.02 -0.02 0.02 -0.04 7.03 7.02 2cmlC1 ASN 2422 HD22 0.02 -0.02 0.08 -0.04 7.74 7.78 2cmlC1 LYS 2423 H 0.05 0.60 -0.04 -0.55 8.42 8.48 2cmlC1 LYS 2423 HA 0.00 0.09 0.74 -0.75 4.32 4.39 2cmlC1 LYS 2423 HB2 0.03 0.04 -0.12 -0.04 1.87 1.78 2cmlC1 LYS 2423 HB3 -0.00 -0.08 0.03 -0.04 1.79 1.69 2cmlC1 LYS 2423 HG2 -0.00 0.01 0.03 -0.04 1.46 1.46 2cmlC1 LYS 2423 HG3 0.02 -0.01 -0.32 -0.04 1.46 1.11 2cmlC1 LYS 2423 HD2 0.00 -0.01 -0.04 -0.04 1.69 1.60 2cmlC1 LYS 2423 HD3 -0.00 0.02 -0.04 -0.04 1.68 1.62 2cmlC1 LYS 2423 HE2 -0.03 -0.04 -0.02 -0.04 2.99 2.86 2cmlC1 LYS 2423 HE3 -0.02 0.01 0.00 -0.04 2.99 2.94 2cmlC1 GLU 2424 H -0.02 0.11 0.13 -0.55 8.60 8.28 2cmlC1 GLU 2424 HA -0.05 0.18 0.59 -0.75 4.29 4.25 2cmlC1 GLU 2424 HB2 -0.05 0.01 0.04 -0.04 2.09 2.05 2cmlC1 GLU 2424 HB3 -0.04 0.03 0.12 -0.04 1.99 2.06 2cmlC1 GLU 2424 HG2 -0.02 0.01 0.03 -0.04 2.34 2.32 2cmlC1 GLU 2424 HG3 -0.02 0.01 0.04 -0.04 2.34 2.34 2cmlC1 CYS 2425 H -0.05 0.07 -0.25 -0.55 8.50 7.71 2cmlC1 CYS 2425 HA -0.22 0.25 0.81 -0.75 4.58 4.66 2cmlC1 CYS 2425 HB2 -0.06 0.09 -0.35 -0.04 2.97 2.61 2cmlC1 CYS 2425 HB3 -0.07 0.02 -0.25 -0.04 2.97 2.63 2cmlC1 PHE 2426 H -0.09 0.84 0.19 -0.55 8.34 8.73 2cmlC1 PHE 2426 HA -0.08 0.11 0.67 -0.75 4.62 4.57 2cmlC1 PHE 2426 HB2 0.05 0.01 0.07 -0.04 3.15 3.24 2cmlC1 PHE 2426 HB3 -0.06 -0.03 -0.04 -0.04 3.06 2.89 2cmlC1 PHE 2426 HD2 0.08 0.10 -0.00 -0.04 7.28 7.42 2cmlC1 PHE 2426 HE2 0.04 0.02 -0.03 -0.04 7.38 7.37 2cmlC1 PHE 2426 HZ 0.02 0.08 0.13 -0.04 7.32 7.51 2cmlC1 ASN 2427 H 0.00 0.19 0.10 -0.55 8.53 8.28 2cmlC1 ASN 2427 HA -0.13 0.17 0.88 -0.75 4.76 4.92 2cmlC1 ASN 2427 HB2 -0.06 -0.02 -0.02 -0.04 2.88 2.74 2cmlC1 ASN 2427 HB3 -0.07 -0.04 0.12 -0.04 2.79 2.76 2cmlC1 ASN 2427 HD21 -0.11 0.28 0.00 -0.04 7.03 7.16 2cmlC1 ASN 2427 HD22 -0.05 -0.09 -0.04 -0.04 7.74 7.52 2cmlC1 PRO 2428 HA -0.65 0.07 0.45 -0.51 4.44 3.81 2cmlC1 PRO 2428 HB2 -0.41 -0.04 0.07 -0.04 2.28 1.86 2cmlC1 PRO 2428 HB3 -2.31 0.05 0.06 -0.04 2.02 -0.22 2cmlC1 PRO 2428 HG2 -0.42 0.09 0.05 -0.04 2.03 1.71 2cmlC1 PRO 2428 HG3 -0.66 0.03 0.09 -0.04 2.03 1.45 2cmlC1 PRO 2428 HD2 -0.34 0.06 0.16 -0.04 3.68 3.51 2cmlC1 PRO 2428 HD3 -0.23 0.20 0.41 -0.04 3.65 3.99 2cmlC1 CYS 2429 H -0.23 0.45 0.48 -0.55 8.50 8.65 2cmlC1 CYS 2429 HA -0.09 0.22 0.98 -0.75 4.58 4.95 2cmlC1 CYS 2429 HB2 -1.71 0.02 -0.02 -0.04 2.97 1.22 2cmlC1 CYS 2429 HB3 -0.98 -0.02 0.04 -0.04 2.97 1.97 2cmlC1 PHE 2430 H -0.46 0.61 0.43 -0.55 8.34 8.36 2cmlC1 PHE 2430 HA -0.35 0.22 0.89 -0.75 4.62 4.63 2cmlC1 PHE 2430 HB2 -1.40 0.11 0.08 -0.04 3.15 1.89 2cmlC1 PHE 2430 HB3 -0.83 -0.00 -0.33 -0.04 3.06 1.86 2cmlC1 PHE 2430 HD2 -0.66 0.08 -0.34 -0.04 7.28 6.32 2cmlC1 PHE 2430 HE2 -0.87 -0.02 -0.26 -0.04 7.38 6.19 2cmlC1 PHE 2430 HZ -0.27 -0.02 -0.21 -0.04 7.32 6.77 2cmlC1 TYR 2431 H -0.45 0.37 0.32 -0.55 8.29 7.98 2cmlC1 TYR 2431 HA -0.16 0.21 1.21 -0.75 4.56 5.06 2cmlC1 TYR 2431 HB2 -0.03 0.07 0.00 -0.04 3.06 3.07 2cmlC1 TYR 2431 HB3 0.00 -0.11 -0.08 -0.04 2.98 2.76 2cmlC1 TYR 2431 HD2 0.12 -0.05 -0.33 -0.04 7.15 6.84 2cmlC1 TYR 2431 HE2 0.14 0.00 -0.18 -0.04 6.85 6.78 2cmlC1 VAL 2432 H 0.06 0.58 0.31 -0.55 8.24 8.63 2cmlC1 VAL 2432 HA -0.06 0.33 0.86 -0.75 4.13 4.51 2cmlC1 VAL 2432 HB 0.04 -0.08 0.04 -0.04 2.12 2.08 2cmlC1 VAL 2432 HG13 0.03 0.02 -0.22 -0.04 0.97 0.76 2cmlC1 VAL 2432 HG23 -0.29 -0.01 -0.21 -0.04 0.95 0.40 2cmlC1 GLU 2433 H 0.25 0.76 0.14 -0.55 8.60 9.20 2cmlC1 GLU 2433 HA 0.18 0.10 0.69 -0.75 4.29 4.51 2cmlC1 GLU 2433 HB2 0.27 0.07 0.09 -0.04 2.09 2.47 2cmlC1 GLU 2433 HB3 0.26 -0.02 0.23 -0.04 1.99 2.41 2cmlC1 GLU 2433 HG2 0.11 0.02 -0.40 -0.04 2.34 2.03 2cmlC1 GLU 2433 HG3 0.10 0.02 -0.04 -0.04 2.34 2.37 2cmlC1 LEU 2434 H 0.14 0.56 0.19 -0.55 8.37 8.70 2cmlC1 LEU 2434 HA 0.19 0.21 0.70 -0.75 4.35 4.70 2cmlC1 LEU 2434 HB2 0.15 -0.25 0.13 -0.04 1.64 1.62 2cmlC1 LEU 2434 HB3 0.18 0.02 0.03 -0.04 1.64 1.83 2cmlC1 LEU 2434 HG 0.14 0.11 -0.27 -0.04 1.64 1.58 2cmlC1 LEU 2434 HD13 0.14 -0.05 -0.25 -0.04 0.93 0.73 2cmlC1 LEU 2434 HD23 0.18 0.01 -0.16 -0.04 0.89 0.88 2cmlC1 ILE 2435 H 0.18 0.63 0.06 -0.55 8.25 8.57 2cmlC1 ILE 2435 HA 0.09 0.11 0.55 -0.75 4.18 4.18 2cmlC1 ILE 2435 HB 0.04 0.05 0.21 -0.04 1.89 2.14 2cmlC1 ILE 2435 HG12 0.02 -0.02 0.00 -0.04 1.49 1.45 2cmlC1 ILE 2435 HG13 0.09 -0.01 -0.03 -0.04 1.21 1.22 2cmlC1 ILE 2435 HG23 -0.03 0.03 -0.02 -0.04 0.93 0.86 2cmlC1 ILE 2435 HD13 -0.01 -0.01 0.15 -0.04 0.88 0.97 2cmlC1 ARG 2436 H 0.12 0.68 0.29 -0.55 8.46 8.99 2cmlC1 ARG 2436 HA 0.02 0.14 0.91 -0.75 4.34 4.66 2cmlC1 ARG 2436 HB2 0.35 -0.03 -0.10 -0.04 1.90 2.08 2cmlC1 ARG 2436 HB3 0.22 -0.03 -0.05 -0.04 1.80 1.90 2cmlC1 ARG 2436 HG2 0.17 0.07 -0.24 -0.04 1.67 1.62 2cmlC1 ARG 2436 HG3 0.19 -0.11 -0.13 -0.04 1.67 1.58 2cmlC1 ARG 2436 HD2 0.25 0.38 -0.22 -0.04 3.22 3.58 2cmlC1 ARG 2436 HD3 0.22 -0.18 -0.08 -0.04 3.22 3.13 2cmlC1 GLY 2437 H -0.28 0.04 0.15 -0.55 8.43 7.81 2cmlC1 GLY 2437 HA2 -0.74 0.07 0.43 -0.51 4.01 3.26 2cmlC1 GLY 2437 HA3 -0.60 0.29 1.00 -0.51 4.01 4.18 2cmlC1 ARG 2438 H -0.29 0.54 0.21 -0.55 8.46 8.37 2cmlC1 ARG 2438 HA -0.23 -0.13 0.05 -0.75 4.34 3.28 2cmlC1 ARG 2438 HB2 -0.11 -0.01 -0.09 -0.04 1.90 1.65 2cmlC1 ARG 2438 HB3 -0.12 -0.00 -0.02 -0.04 1.80 1.62 2cmlC1 ARG 2438 HG2 -0.20 -0.05 -0.11 -0.04 1.67 1.27 2cmlC1 ARG 2438 HG3 -0.27 0.13 -0.06 -0.04 1.67 1.43 2cmlC1 ARG 2438 HD2 -0.09 -0.03 -0.19 -0.04 3.22 2.88 2cmlC1 ARG 2438 HD3 -0.09 -0.05 -0.04 -0.04 3.22 3.00 2cmlC1 PRO 2439 HA -0.14 0.05 0.29 -0.51 4.44 4.12 2cmlC1 PRO 2439 HB2 -0.11 0.02 -0.03 -0.04 2.28 2.12 2cmlC1 PRO 2439 HB3 -0.09 0.04 0.07 -0.04 2.02 2.01 2cmlC1 PRO 2439 HG2 -0.18 -0.00 0.05 -0.04 2.03 1.86 2cmlC1 PRO 2439 HG3 -0.09 0.07 0.08 -0.04 2.03 2.05 2cmlC1 PRO 2439 HD2 -0.18 0.10 0.26 -0.04 3.68 3.81 2cmlC1 PRO 2439 HD3 -0.10 0.16 0.28 -0.04 3.65 3.94 2cmlC1 LYS 2440 H -0.40 0.28 -0.06 -0.55 8.42 7.69 2cmlC1 LYS 2440 HA -0.33 0.07 0.12 -0.75 4.32 3.43 2cmlC1 LYS 2440 HB2 -1.38 0.09 0.06 -0.04 1.87 0.61 2cmlC1 LYS 2440 HB3 -1.60 -0.04 0.07 -0.04 1.79 0.18 2cmlC1 LYS 2440 HG2 -0.50 0.00 0.03 -0.04 1.46 0.95 2cmlC1 LYS 2440 HG3 -1.16 0.01 0.00 -0.04 1.46 0.27 2cmlC1 LYS 2440 HD2 -0.29 -0.02 -0.00 -0.04 1.69 1.33 2cmlC1 LYS 2440 HD3 -0.24 0.02 -0.06 -0.04 1.68 1.36 2cmlC1 LYS 2440 HE2 -0.06 -0.08 -0.00 -0.04 2.99 2.81 2cmlC1 LYS 2440 HE3 0.05 -0.00 -0.03 -0.04 2.99 2.97 2cmlC1 GLU 2441 H -0.32 0.31 -0.61 -0.55 8.60 7.43 2cmlC1 GLU 2441 HA -0.10 0.11 0.76 -0.75 4.29 4.31 2cmlC1 GLU 2441 HB2 -0.30 0.05 0.19 -0.04 2.09 1.99 2cmlC1 GLU 2441 HB3 -0.18 -0.08 0.09 -0.04 1.99 1.78 2cmlC1 GLU 2441 HG2 0.10 0.04 -0.03 -0.04 2.34 2.41 2cmlC1 GLU 2441 HG3 -0.25 0.04 -0.26 -0.04 2.34 1.84 2cmlC1 SER 2442 H -0.11 0.23 -0.00 -0.55 8.46 8.03 2cmlC1 SER 2442 HA -0.20 0.27 0.52 -0.75 4.49 4.32 2cmlC1 SER 2442 HB2 -0.10 0.04 0.14 -0.04 3.95 3.99 2cmlC1 SER 2442 HB3 -0.13 0.07 -0.04 -0.04 3.93 3.79 2cmlC1 SER 2443 H -0.11 0.02 -0.25 -0.55 8.46 7.57 2cmlC1 SER 2443 HA -0.06 0.16 0.72 -0.75 4.49 4.55 2cmlC1 SER 2443 HB2 -0.02 0.04 0.07 -0.04 3.95 3.99 2cmlC1 SER 2443 HB3 -0.04 -0.03 0.05 -0.04 3.93 3.87 2cmlC1 VAL 2444 H -0.28 0.16 -0.16 -0.55 8.24 7.41 2cmlC1 VAL 2444 HA -0.17 0.28 0.79 -0.75 4.13 4.27 2cmlC1 VAL 2444 HB -1.11 -0.07 0.12 -0.04 2.12 1.02 2cmlC1 VAL 2444 HG13 -0.10 0.02 -0.19 -0.04 0.97 0.66 2cmlC1 VAL 2444 HG23 -1.32 0.02 0.03 -0.04 0.95 -0.36 2cmlC1 LEU 2445 H -0.15 0.19 0.13 -0.55 8.37 8.00 2cmlC1 LEU 2445 HA -0.09 0.18 0.60 -0.75 4.35 4.28 2cmlC1 LEU 2445 HB2 0.06 0.04 0.13 -0.04 1.64 1.83 2cmlC1 LEU 2445 HB3 0.06 -0.09 0.13 -0.04 1.64 1.69 2cmlC1 LEU 2445 HG 0.01 -0.03 0.06 -0.04 1.64 1.63 2cmlC1 LEU 2445 HD13 -0.03 0.01 -0.08 -0.04 0.93 0.79 2cmlC1 LEU 2445 HD23 0.03 0.01 0.02 -0.04 0.89 0.92 2cmlC1 TRP 2446 H -0.55 0.04 -0.13 -0.55 7.97 6.78 2cmlC1 TRP 2446 HA -0.03 0.11 0.84 -0.75 4.62 4.78 2cmlC1 TRP 2446 HB2 -0.05 0.06 0.03 -0.04 3.23 3.23 2cmlC1 TRP 2446 HB3 -0.03 0.09 -0.17 -0.04 3.23 3.08 2cmlC1 TRP 2446 HD1 -0.00 0.00 -0.02 -0.04 7.22 7.16 2cmlC1 TRP 2446 HE1 0.00 0.07 0.01 -0.04 10.20 10.24 2cmlC1 TRP 2446 HE3 -0.12 0.04 -0.54 -0.04 7.59 6.92 2cmlC1 TRP 2446 HZ2 -1.53 0.00 -0.10 -0.04 7.44 5.77 2cmlC1 TRP 2446 HZ3 -0.18 -0.02 -0.34 -0.04 7.13 6.55 2cmlC1 TRP 2446 HH2 -0.51 -0.10 -0.20 -0.04 7.19 6.34 2cmlC1 THR 2447 H 0.27 0.34 0.12 -0.55 8.28 8.46 2cmlC1 THR 2447 HA 0.12 0.18 0.85 -0.75 4.39 4.79 2cmlC1 THR 2447 HB 0.07 0.13 -0.22 -0.04 4.32 4.25 2cmlC1 THR 2447 HG23 0.01 0.02 -0.09 -0.04 1.22 1.12 2cmlC1 SER 2448 H 0.33 0.64 0.32 -0.55 8.46 9.20 2cmlC1 SER 2448 HA 0.06 0.47 0.73 -0.75 4.49 5.00 2cmlC1 SER 2448 HB2 -0.09 0.04 -0.13 -0.04 3.95 3.73 2cmlC1 SER 2448 HB3 -0.09 -0.07 0.03 -0.04 3.93 3.76 2cmlC1 ASN 2449 H 0.01 0.28 0.24 -0.55 8.53 8.51 2cmlC1 ASN 2449 HA 0.10 0.18 0.65 -0.75 4.76 4.93 2cmlC1 ASN 2449 HB2 0.09 -0.01 -0.06 -0.04 2.88 2.86 2cmlC1 ASN 2449 HB3 0.06 0.08 -0.30 -0.04 2.79 2.59 2cmlC1 ASN 2449 HD21 0.10 -0.05 -0.29 -0.04 7.03 6.76 2cmlC1 ASN 2449 HD22 0.10 0.33 -0.22 -0.04 7.74 7.91 2cmlC1 SER 2450 H 0.10 0.51 0.31 -0.55 8.46 8.84 2cmlC1 SER 2450 HA 0.07 0.14 0.62 -0.75 4.49 4.56 2cmlC1 SER 2450 HB2 0.07 -0.37 0.25 -0.04 3.95 3.87 2cmlC1 SER 2450 HB3 0.08 -0.05 0.04 -0.04 3.93 3.96 2cmlC1 ILE 2451 H 0.10 0.02 0.24 -0.55 8.25 8.06 2cmlC1 ILE 2451 HA 0.11 0.35 1.06 -0.75 4.18 4.94 2cmlC1 ILE 2451 HB 0.08 -0.12 0.03 -0.04 1.89 1.84 2cmlC1 ILE 2451 HG12 0.04 0.10 -0.13 -0.04 1.49 1.46 2cmlC1 ILE 2451 HG13 0.14 -0.13 -0.48 -0.04 1.21 0.69 2cmlC1 ILE 2451 HG23 -0.01 0.02 -0.22 -0.04 0.93 0.67 2cmlC1 ILE 2451 HD13 0.09 0.02 -0.10 -0.04 0.88 0.85 2cmlC1 VAL 2452 H 0.08 0.65 0.33 -0.55 8.24 8.75 2cmlC1 VAL 2452 HA -0.06 0.17 0.54 -0.75 4.13 4.03 2cmlC1 VAL 2452 HB 0.05 0.04 0.21 -0.04 2.12 2.38 2cmlC1 VAL 2452 HG13 0.08 0.00 0.01 -0.04 0.97 1.03 2cmlC1 VAL 2452 HG23 -0.35 0.02 0.10 -0.04 0.95 0.69 2cmlC1 ALA 2453 H -0.19 0.60 0.36 -0.55 8.40 8.63 2cmlC1 ALA 2453 HA -0.17 0.29 1.15 -0.75 4.34 4.85 2cmlC1 ALA 2453 HB3 0.07 -0.03 -0.06 -0.04 1.41 1.34 2cmlC1 LEU 2454 H -0.74 0.76 0.41 -0.55 8.37 8.25 2cmlC1 LEU 2454 HA -0.36 0.10 0.95 -0.75 4.35 4.28 2cmlC1 LEU 2454 HB2 -0.86 -0.04 -0.07 -0.04 1.64 0.62 2cmlC1 LEU 2454 HB3 -0.12 0.10 -0.14 -0.04 1.64 1.44 2cmlC1 LEU 2454 HG -0.42 -0.02 -0.14 -0.04 1.64 1.03 2cmlC1 LEU 2454 HD13 -0.40 -0.05 -0.34 -0.04 0.93 0.10 2cmlC1 LEU 2454 HD23 0.11 -0.01 -0.32 -0.04 0.89 0.63 2cmlC1 CYS 2455 H -0.57 0.59 0.28 -0.55 8.50 8.25 2cmlC1 CYS 2455 HA 0.07 0.22 1.07 -0.75 4.58 5.19 2cmlC1 CYS 2455 HB2 -0.26 -0.01 0.03 -0.04 2.97 2.69 2cmlC1 CYS 2455 HB3 -0.14 0.08 0.10 -0.04 2.97 2.97 2cmlC1 GLY 2456 H -0.25 0.49 0.22 -0.55 8.43 8.34 2cmlC1 GLY 2456 HA2 -1.10 0.15 0.49 -0.51 4.01 3.04 2cmlC1 GLY 2456 HA3 -0.85 0.01 0.34 -0.51 4.01 3.00 2cmlC1 SER 2457 H -0.48 0.58 0.37 -0.55 8.46 8.38 2cmlC1 SER 2457 HA -0.09 0.14 0.70 -0.75 4.49 4.49 2cmlC1 SER 2457 HB2 0.01 0.09 -0.08 -0.04 3.95 3.93 2cmlC1 SER 2457 HB3 -0.08 0.04 -0.09 -0.04 3.93 3.75 2cmlC1 LYS 2458 H -0.08 0.16 0.11 -0.55 8.42 8.06 2cmlC1 LYS 2458 HA -0.06 0.11 0.66 -0.75 4.32 4.28 2cmlC1 LYS 2458 HB2 -0.04 -0.04 0.08 -0.04 1.87 1.83 2cmlC1 LYS 2458 HB3 -0.03 0.01 0.03 -0.04 1.79 1.76 2cmlC1 LYS 2458 HG2 -0.04 0.01 -0.01 -0.04 1.46 1.38 2cmlC1 LYS 2458 HG3 -0.06 0.04 0.03 -0.04 1.46 1.42 2cmlC1 LYS 2458 HD2 -0.03 -0.01 0.01 -0.04 1.69 1.62 2cmlC1 LYS 2458 HD3 -0.03 -0.01 0.00 -0.04 1.68 1.61 2cmlC1 LYS 2458 HE2 -0.02 0.00 -0.00 -0.04 2.99 2.93 2cmlC1 LYS 2458 HE3 -0.02 -0.02 0.01 -0.04 2.99 2.92 2cmlC1 LYS 2459 H -0.04 -0.04 -0.19 -0.55 8.42 7.59 2cmlC1 LYS 2459 HA -0.01 0.15 0.41 -0.75 4.32 4.11 2cmlC1 LYS 2459 HB2 -0.01 -0.01 -0.14 -0.04 1.87 1.67 2cmlC1 LYS 2459 HB3 -0.01 0.04 -0.04 -0.04 1.79 1.75 2cmlC1 LYS 2459 HG2 -0.03 -0.14 -0.01 -0.04 1.46 1.24 2cmlC1 LYS 2459 HG3 -0.03 0.04 -0.02 -0.04 1.46 1.41 2cmlC1 LYS 2459 HD2 -0.01 0.03 -0.03 -0.04 1.69 1.63 2cmlC1 LYS 2459 HD3 -0.01 0.03 -0.06 -0.04 1.68 1.60 2cmlC1 LYS 2459 HE2 -0.02 0.03 -0.04 -0.04 2.99 2.92 2cmlC1 LYS 2459 HE3 -0.02 -0.05 -0.05 -0.04 2.99 2.83 2cmlC1 ARG 2460 H 0.01 0.15 0.03 -0.55 8.46 8.10 2cmlC1 ARG 2460 HA 0.05 0.23 0.76 -0.75 4.34 4.63 2cmlC1 ARG 2460 HB2 0.03 -0.05 0.20 -0.04 1.90 2.04 2cmlC1 ARG 2460 HB3 0.05 0.06 0.05 -0.04 1.80 1.92 2cmlC1 ARG 2460 HG2 0.02 -0.07 -0.02 -0.04 1.67 1.56 2cmlC1 ARG 2460 HG3 0.03 -0.01 0.02 -0.04 1.67 1.67 2cmlC1 ARG 2460 HD2 0.06 0.02 -0.01 -0.04 3.22 3.25 2cmlC1 ARG 2460 HD3 0.06 0.11 -0.19 -0.04 3.22 3.16 2cmlC1 LEU 2461 H 0.05 0.23 -0.11 -0.55 8.37 8.00 2cmlC1 LEU 2461 HA 0.03 0.09 0.75 -0.75 4.35 4.47 2cmlC1 LEU 2461 HB2 0.09 0.07 -0.08 -0.04 1.64 1.68 2cmlC1 LEU 2461 HB3 0.07 0.04 0.01 -0.04 1.64 1.72 2cmlC1 LEU 2461 HG 0.02 -0.07 -0.30 -0.04 1.64 1.25 2cmlC1 LEU 2461 HD13 0.08 0.00 -0.20 -0.04 0.93 0.77 2cmlC1 LEU 2461 HD23 0.01 0.00 -0.13 -0.04 0.89 0.73 2cmlC1 GLY 2462 H 0.03 0.05 0.14 -0.55 8.43 8.11 2cmlC1 GLY 2462 HA2 0.07 0.09 0.48 -0.51 4.01 4.14 2cmlC1 GLY 2462 HA3 0.02 0.00 0.33 -0.51 4.01 3.86 2cmlC1 SER 2463 H 0.08 0.21 0.25 -0.55 8.46 8.45 2cmlC1 SER 2463 HA 0.18 0.12 0.76 -0.75 4.49 4.79 2cmlC1 SER 2463 HB2 0.31 0.15 0.15 -0.04 3.95 4.52 2cmlC1 SER 2463 HB3 0.25 0.11 -0.16 -0.04 3.93 4.09 2cmlC1 TRP 2464 H 0.29 0.24 0.18 -0.55 7.97 8.13 2cmlC1 TRP 2464 HA -0.08 0.10 0.26 -0.75 4.62 4.14 2cmlC1 TRP 2464 HB2 -0.19 -0.11 0.23 -0.04 3.23 3.12 2cmlC1 TRP 2464 HB3 -0.14 0.08 0.13 -0.04 3.23 3.26 2cmlC1 TRP 2464 HD1 -1.25 -0.03 -0.16 -0.04 7.22 5.74 2cmlC1 TRP 2464 HE1 -1.77 -0.01 -0.07 -0.04 10.20 8.31 2cmlC1 TRP 2464 HE3 -0.12 -0.02 0.03 -0.04 7.59 7.44 2cmlC1 TRP 2464 HZ2 -0.14 0.00 -0.02 -0.04 7.44 7.24 2cmlC1 TRP 2464 HZ3 -0.06 -0.01 0.00 -0.04 7.13 7.01 2cmlC1 TRP 2464 HH2 -0.06 -0.01 -0.01 -0.04 7.19 7.07 2cmlC1 SER 2465 H -0.14 0.11 0.13 -0.55 8.46 8.02 2cmlC1 SER 2465 HA 0.02 0.31 0.50 -0.75 4.49 4.57 2cmlC1 SER 2465 HB2 0.07 0.01 -0.00 -0.04 3.95 3.99 2cmlC1 SER 2465 HB3 0.03 0.04 0.17 -0.04 3.93 4.13 2cmlC1 TRP 2466 H 0.19 0.65 0.27 -0.55 7.97 8.53 2cmlC1 TRP 2466 HA -0.29 0.15 0.74 -0.75 4.62 4.47 2cmlC1 TRP 2466 HB2 0.04 0.06 0.18 -0.04 3.23 3.47 2cmlC1 TRP 2466 HB3 -0.01 -0.02 0.19 -0.04 3.23 3.35 2cmlC1 TRP 2466 HD1 0.15 0.12 0.10 -0.04 7.22 7.55 2cmlC1 TRP 2466 HE1 0.26 -0.00 0.02 -0.04 10.20 10.44 2cmlC1 TRP 2466 HE3 -0.01 0.03 0.01 -0.04 7.59 7.59 2cmlC1 TRP 2466 HZ2 0.26 -0.02 -0.00 -0.04 7.44 7.64 2cmlC1 TRP 2466 HZ3 0.23 0.00 -0.03 -0.04 7.13 7.29 2cmlC1 TRP 2466 HH2 0.34 0.00 -0.04 -0.04 7.19 7.45 2cmlC1 HIS 2467 H -0.52 0.10 -0.39 -0.55 8.41 7.05 2cmlC1 HIS 2467 HA 0.10 0.16 0.46 -0.75 4.63 4.60 2cmlC1 HIS 2467 HB2 0.01 -0.09 0.13 -0.04 3.26 3.27 2cmlC1 HIS 2467 HB3 0.00 -0.01 0.07 -0.04 3.20 3.22 2cmlC1 HIS 2467 HD2 -0.05 -0.08 -0.13 -0.04 6.97 6.66 2cmlC1 HIS 2467 HE1 -0.31 0.01 0.03 -0.04 7.75 7.43 2cmlC1 ASP 2468 H 0.21 0.13 0.13 -0.55 8.40 8.33 2cmlC1 ASP 2468 HA 0.13 0.08 0.38 -0.75 4.63 4.47 2cmlC1 ASP 2468 HB2 0.17 0.14 0.07 -0.04 2.71 3.04 2cmlC1 ASP 2468 HB3 0.18 -0.01 0.14 -0.04 2.70 2.97 2cmlC1 GLY 2469 H 0.18 0.09 0.01 -0.55 8.43 8.17 2cmlC1 GLY 2469 HA2 0.17 0.02 0.15 -0.51 4.01 3.84 2cmlC1 GLY 2469 HA3 0.09 0.21 0.32 -0.51 4.01 4.12 2cmlC1 ALA 2470 H 0.16 -0.04 -0.18 -0.55 8.40 7.80 2cmlC1 ALA 2470 HA 0.19 0.19 0.61 -0.75 4.34 4.58 2cmlC1 ALA 2470 HB3 0.29 0.00 -0.16 -0.04 1.41 1.50 2cmlC1 GLU 2471 H 0.17 0.23 0.11 -0.55 8.60 8.56 2cmlC1 GLU 2471 HA -0.01 0.16 0.83 -0.75 4.29 4.52 2cmlC1 GLU 2471 HB2 -0.74 0.03 0.17 -0.04 2.09 1.50 2cmlC1 GLU 2471 HB3 -0.48 -0.10 0.01 -0.04 1.99 1.37 2cmlC1 GLU 2471 HG2 -0.10 0.07 -0.00 -0.04 2.34 2.26 2cmlC1 GLU 2471 HG3 -0.47 0.03 0.02 -0.04 2.34 1.88 2cmlC1 ILE 2472 H 0.07 0.22 0.08 -0.55 8.25 8.08 2cmlC1 ILE 2472 HA 0.35 0.12 0.27 -0.75 4.18 4.17 2cmlC1 ILE 2472 HB 0.09 0.02 0.06 -0.04 1.89 2.03 2cmlC1 ILE 2472 HG12 -0.06 -0.01 -0.07 -0.04 1.49 1.32 2cmlC1 ILE 2472 HG13 0.04 0.02 -0.08 -0.04 1.21 1.15 2cmlC1 ILE 2472 HG23 0.04 0.01 -0.05 -0.04 0.93 0.89 2cmlC1 ILE 2472 HD13 -0.16 0.01 -0.04 -0.04 0.88 0.65 2cmlC1 ILE 2473 H -0.03 0.06 -0.22 -0.55 8.25 7.52 2cmlC1 ILE 2473 HA 0.05 0.10 0.35 -0.75 4.18 3.93 2cmlC1 ILE 2473 HB -0.12 0.01 0.01 -0.04 1.89 1.75 2cmlC1 ILE 2473 HG12 -0.05 -0.12 0.06 -0.04 1.49 1.34 2cmlC1 ILE 2473 HG13 -0.04 0.06 0.02 -0.04 1.21 1.21 2cmlC1 ILE 2473 HG23 0.02 0.02 0.02 -0.04 0.93 0.95 2cmlC1 ILE 2473 HD13 0.01 0.02 -0.02 -0.04 0.88 0.84 2cmlC1 TYR 2474 H -0.01 0.17 -0.35 -0.55 8.29 7.55 2cmlC1 TYR 2474 HA -0.04 0.06 0.41 -0.75 4.56 4.23 2cmlC1 TYR 2474 HB2 -0.09 0.18 0.07 -0.04 3.06 3.17 2cmlC1 TYR 2474 HB3 -0.26 0.05 0.03 -0.04 2.98 2.77 2cmlC1 TYR 2474 HD2 -0.02 0.00 -0.00 -0.04 7.15 7.09 2cmlC1 TYR 2474 HE2 0.00 0.01 0.00 -0.04 6.85 6.82 2cmlC1 PHE 2475 H 0.35 0.43 -0.33 -0.55 8.34 8.25 2cmlC1 PHE 2475 HA 0.19 0.16 0.63 -0.75 4.62 4.85 2cmlC1 PHE 2475 HB2 0.26 0.07 0.04 -0.04 3.15 3.48 2cmlC1 PHE 2475 HB3 0.47 -0.03 0.08 -0.04 3.06 3.54 2cmlC1 PHE 2475 HD2 0.27 0.04 -0.05 -0.04 7.28 7.50 2cmlC1 PHE 2475 HE2 0.04 -0.02 -0.20 -0.04 7.38 7.15 2cmlC1 PHE 2475 HZ -0.00 0.18 -0.14 -0.04 7.32 7.32 2cmlC1 GLU 2476 H 0.17 0.28 -0.35 -0.55 8.60 8.16 2cmlC1 GLU 2476 HA 0.10 0.22 0.59 -0.75 4.29 4.46 2cmlC1 GLU 2476 HB2 0.07 0.08 0.13 -0.04 2.09 2.33 2cmlC1 GLU 2476 HB3 0.05 -0.02 0.08 -0.04 1.99 2.06 2cmlC1 GLU 2476 HG2 0.04 0.14 -0.14 -0.04 2.34 2.33 2cmlC1 GLU 2476 HG3 0.11 0.09 -0.16 -0.04 2.34 2.33