============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 31 1.000 8.817 24.519 113.833 -99.200 -91.000 TYR 39 0.840 -9.732 29.280 106.693 -99.200 -91.000 HIS 66 0.900 -6.791 8.781 97.946 -99.200 -91.000 PHE 76 1.000 -2.155 29.793 92.918 -99.200 -91.000 PHE 112 1.000 -2.106 21.231 105.728 -99.200 -91.000 HIS 117 0.900 5.589 42.083 100.523 -99.200 -91.000 TRP 129 1.040 -2.893 45.417 105.297 -99.200 -91.000 TRP6 129 1.020 -3.732 47.181 106.634 -99.200 -91.000 PHE 177 1.000 15.478 35.929 101.357 -99.200 -91.000 PHE 183 1.000 10.567 23.984 87.187 -99.200 -91.000 TYR 187 0.840 3.201 33.723 80.784 -99.200 -91.000 HIS 204 0.900 6.698 32.882 84.987 -99.200 -91.000 HIS 216 0.900 9.430 14.998 86.673 -99.200 -91.000 PHE 217 1.000 4.105 12.874 92.012 -99.200 -91.000 PHE 237 1.000 25.472 22.792 85.336 -99.200 -91.000 PHE 243 1.000 21.870 39.650 85.679 -99.200 -91.000 PHE 256 1.000 27.910 31.458 90.972 -99.200 -91.000 TYR 281 0.840 15.423 47.335 89.691 -99.200 -91.000 TYR 284 0.840 9.919 42.489 87.500 -99.200 -91.000 TYR 290 0.840 0.102 50.373 82.159 -99.200 -91.000 HIS 296 0.900 -4.728 44.307 93.356 -99.200 -91.000 HIS 303 0.900 -13.627 50.348 99.980 -99.200 -91.000 PHE 307 1.000 -4.634 47.896 97.756 -99.200 -91.000 TYR 326 0.840 1.626 47.194 79.288 -99.200 -91.000 HIS 376 0.900 14.817 43.176 101.032 -99.200 -91.000 PHE 380 1.000 18.094 40.131 99.598 -99.200 -91.000 PHE 387 1.000 17.659 34.463 84.744 -99.200 -91.000 PHE 399 1.000 25.277 28.212 96.145 -99.200 -91.000 TYR 414 0.840 8.874 30.523 76.882 -99.200 -91.000 TRP 426 1.040 24.758 15.287 87.258 -99.200 -91.000 TRP6 426 1.020 26.463 16.866 87.681 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2dc0B1 MET 1001 HA 0.01 -0.09 0.18 -0.75 4.52 3.86 2dc0B1 MET 1001 HB2 0.01 -0.14 0.02 -0.04 2.15 2.00 2dc0B1 MET 1001 HB3 0.01 0.02 0.02 -0.04 2.03 2.04 2dc0B1 MET 1001 HG2 0.02 0.05 -0.07 -0.04 2.63 2.59 2dc0B1 MET 1001 HG3 0.02 0.04 -0.42 -0.04 2.56 2.16 2dc0B1 MET 1001 HE3 0.01 0.01 -0.04 -0.04 2.10 2.04 2dc0B1 ASP 1002 H 0.01 -0.04 0.10 -0.55 8.40 7.92 2dc0B1 ASP 1002 HA 0.03 0.45 1.01 -0.75 4.63 5.37 2dc0B1 ASP 1002 HB2 0.03 -0.18 0.21 -0.04 2.71 2.74 2dc0B1 ASP 1002 HB3 0.02 0.19 -0.02 -0.04 2.70 2.85 2dc0B1 LEU 1003 H 0.05 0.16 0.17 -0.55 8.37 8.21 2dc0B1 LEU 1003 HA 0.06 0.17 0.37 -0.75 4.35 4.20 2dc0B1 LEU 1003 HB2 0.12 -0.14 0.17 -0.04 1.64 1.75 2dc0B1 LEU 1003 HB3 0.18 0.09 -0.07 -0.04 1.64 1.79 2dc0B1 LEU 1003 HG 0.09 0.11 -0.06 -0.04 1.64 1.75 2dc0B1 LEU 1003 HD13 0.16 -0.01 -0.05 -0.04 0.93 0.99 2dc0B1 LEU 1003 HD23 0.11 0.02 -0.10 -0.04 0.89 0.89 2dc0B1 LEU 1004 H -0.03 0.06 -0.04 -0.55 8.37 7.82 2dc0B1 LEU 1004 HA -0.19 0.17 0.41 -0.75 4.35 3.98 2dc0B1 LEU 1004 HB2 -0.08 -0.06 0.01 -0.04 1.64 1.47 2dc0B1 LEU 1004 HB3 -0.15 0.08 -0.01 -0.04 1.64 1.52 2dc0B1 LEU 1004 HG -0.21 -0.10 -0.03 -0.04 1.64 1.26 2dc0B1 LEU 1004 HD13 -0.12 0.01 -0.09 -0.04 0.93 0.70 2dc0B1 LEU 1004 HD23 -0.95 0.04 -0.03 -0.04 0.89 -0.09 2dc0B1 GLU 1005 H -0.02 0.01 -0.46 -0.55 8.60 7.59 2dc0B1 GLU 1005 HA -0.02 0.09 0.42 -0.75 4.29 4.02 2dc0B1 GLU 1005 HB2 -0.01 -0.12 0.08 -0.04 2.09 2.00 2dc0B1 GLU 1005 HB3 -0.00 0.14 0.07 -0.04 1.99 2.16 2dc0B1 GLU 1005 HG2 -0.00 0.05 -0.05 -0.04 2.34 2.30 2dc0B1 GLU 1005 HG3 -0.01 0.00 0.03 -0.04 2.34 2.32 2dc0B1 ALA 1006 H 0.00 0.59 -0.06 -0.55 8.40 8.38 2dc0B1 ALA 1006 HA 0.01 0.02 0.37 -0.75 4.34 3.98 2dc0B1 ALA 1006 HB3 0.02 0.04 0.02 -0.04 1.41 1.45 2dc0B1 LYS 1007 H -0.01 0.46 -0.28 -0.55 8.42 8.04 2dc0B1 LYS 1007 HA 0.03 0.09 0.37 -0.75 4.32 4.06 2dc0B1 LYS 1007 HB2 -0.00 0.08 0.08 -0.04 1.87 1.98 2dc0B1 LYS 1007 HB3 -0.07 0.05 0.11 -0.04 1.79 1.83 2dc0B1 LYS 1007 HG2 -0.00 -0.06 -0.10 -0.04 1.46 1.26 2dc0B1 LYS 1007 HG3 0.06 0.08 0.02 -0.04 1.46 1.57 2dc0B1 LYS 1007 HD2 -0.02 0.01 0.01 -0.04 1.69 1.65 2dc0B1 LYS 1007 HD3 -0.17 -0.09 -0.01 -0.04 1.68 1.37 2dc0B1 LYS 1007 HE2 0.03 -0.06 -0.00 -0.04 2.99 2.92 2dc0B1 LYS 1007 HE3 0.14 0.24 0.12 -0.04 2.99 3.44 2dc0B1 ARG 1008 H -0.03 0.42 -0.25 -0.55 8.46 8.05 2dc0B1 ARG 1008 HA -0.02 0.04 0.44 -0.75 4.34 4.05 2dc0B1 ARG 1008 HB2 -0.04 0.02 0.13 -0.04 1.90 1.97 2dc0B1 ARG 1008 HB3 -0.02 0.13 0.14 -0.04 1.80 2.01 2dc0B1 ARG 1008 HG2 -0.01 -0.02 -0.16 -0.04 1.67 1.44 2dc0B1 ARG 1008 HG3 -0.02 -0.02 0.03 -0.04 1.67 1.63 2dc0B1 ARG 1008 HD2 -0.02 -0.02 -0.01 -0.04 3.22 3.13 2dc0B1 ARG 1008 HD3 -0.02 0.01 -0.02 -0.04 3.22 3.15 2dc0B1 LEU 1009 H -0.01 0.42 -0.24 -0.55 8.37 8.00 2dc0B1 LEU 1009 HA -0.00 0.01 0.40 -0.75 4.35 4.01 2dc0B1 LEU 1009 HB2 0.00 0.15 0.06 -0.04 1.64 1.82 2dc0B1 LEU 1009 HB3 0.00 -0.08 -0.11 -0.04 1.64 1.41 2dc0B1 LEU 1009 HG -0.00 0.23 0.03 -0.04 1.64 1.85 2dc0B1 LEU 1009 HD13 0.00 -0.01 -0.09 -0.04 0.93 0.78 2dc0B1 LEU 1009 HD23 -0.00 -0.01 -0.04 -0.04 0.89 0.79 2dc0B1 LEU 1010 H 0.01 0.47 -0.34 -0.55 8.37 7.96 2dc0B1 LEU 1010 HA 0.01 0.11 0.46 -0.75 4.35 4.18 2dc0B1 LEU 1010 HB2 0.02 0.17 0.13 -0.04 1.64 1.92 2dc0B1 LEU 1010 HB3 0.03 -0.01 -0.02 -0.04 1.64 1.59 2dc0B1 LEU 1010 HG 0.03 0.15 -0.08 -0.04 1.64 1.70 2dc0B1 LEU 1010 HD13 0.07 -0.00 -0.14 -0.04 0.93 0.82 2dc0B1 LEU 1010 HD23 0.03 -0.01 -0.33 -0.04 0.89 0.55 2dc0B1 GLU 1011 H -0.00 0.41 -0.15 -0.55 8.60 8.31 2dc0B1 GLU 1011 HA -0.01 0.07 0.47 -0.75 4.29 4.07 2dc0B1 GLU 1011 HB2 -0.01 0.05 0.19 -0.04 2.09 2.29 2dc0B1 GLU 1011 HB3 -0.01 -0.06 0.02 -0.04 1.99 1.90 2dc0B1 GLU 1011 HG2 -0.01 -0.03 0.04 -0.04 2.34 2.30 2dc0B1 GLU 1011 HG3 -0.00 0.04 0.03 -0.04 2.34 2.36 2dc0B1 THR 1012 H -0.01 0.32 -0.31 -0.55 8.28 7.73 2dc0B1 THR 1012 HA -0.01 0.14 0.75 -0.75 4.39 4.53 2dc0B1 THR 1012 HB -0.01 -0.05 0.12 -0.04 4.32 4.35 2dc0B1 THR 1012 HG23 -0.01 0.03 -0.01 -0.04 1.22 1.18 2dc0B1 GLY 1013 H -0.00 0.28 -0.44 -0.55 8.43 7.72 2dc0B1 GLY 1013 HA2 -0.00 0.11 0.36 -0.51 4.01 3.97 2dc0B1 GLY 1013 HA3 -0.00 0.04 0.46 -0.51 4.01 3.99 2dc0B1 ARG 1014 H -0.00 0.47 0.00 -0.55 8.46 8.38 2dc0B1 ARG 1014 HA -0.00 0.11 0.62 -0.75 4.34 4.32 2dc0B1 ARG 1014 HB2 -0.00 -0.04 0.06 -0.04 1.90 1.88 2dc0B1 ARG 1014 HB3 -0.00 -0.05 0.11 -0.04 1.80 1.81 2dc0B1 ARG 1014 HG2 -0.00 0.00 -0.05 -0.04 1.67 1.58 2dc0B1 ARG 1014 HG3 -0.00 0.05 -0.16 -0.04 1.67 1.51 2dc0B1 ARG 1014 HD2 -0.00 -0.03 -0.02 -0.04 3.22 3.13 2dc0B1 ARG 1014 HD3 -0.00 -0.03 -0.01 -0.04 3.22 3.13 2dc0B1 THR 1015 H 0.00 0.34 -0.16 -0.55 8.28 7.92 2dc0B1 THR 1015 HA 0.00 0.10 0.45 -0.75 4.39 4.18 2dc0B1 THR 1015 HB 0.00 0.09 -0.24 -0.04 4.32 4.13 2dc0B1 THR 1015 HG23 0.01 -0.02 -0.40 -0.04 1.22 0.77 2dc0B1 THR 1016 H 0.00 0.12 0.17 -0.55 8.28 8.02 2dc0B1 THR 1016 HA 0.02 0.37 0.91 -0.75 4.39 4.95 2dc0B1 THR 1016 HB 0.02 0.06 0.16 -0.04 4.32 4.51 2dc0B1 THR 1016 HG23 0.01 0.05 -0.22 -0.04 1.22 1.02 2dc0B1 PRO 1017 HA 0.02 0.29 0.51 -0.51 4.44 4.74 2dc0B1 PRO 1017 HB2 0.03 0.05 0.12 -0.04 2.28 2.44 2dc0B1 PRO 1017 HB3 0.02 0.06 0.17 -0.04 2.02 2.23 2dc0B1 PRO 1017 HG2 0.14 0.13 -0.19 -0.04 2.03 2.06 2dc0B1 PRO 1017 HG3 0.11 0.14 0.07 -0.04 2.03 2.31 2dc0B1 PRO 1017 HD2 0.04 0.04 0.25 -0.04 3.68 3.97 2dc0B1 PRO 1017 HD3 0.05 0.25 0.24 -0.04 3.65 4.15 2dc0B1 LEU 1018 H 0.01 0.15 -0.16 -0.55 8.37 7.81 2dc0B1 LEU 1018 HA -0.02 0.07 0.41 -0.75 4.35 4.05 2dc0B1 LEU 1018 HB2 -0.00 0.07 -0.01 -0.04 1.64 1.67 2dc0B1 LEU 1018 HB3 -0.00 -0.03 0.04 -0.04 1.64 1.61 2dc0B1 LEU 1018 HG -0.01 -0.00 -0.22 -0.04 1.64 1.36 2dc0B1 LEU 1018 HD13 -0.02 0.00 0.02 -0.04 0.93 0.89 2dc0B1 LEU 1018 HD23 -0.00 0.01 -0.03 -0.04 0.89 0.82 2dc0B1 ALA 1019 H -0.01 0.08 -0.20 -0.55 8.40 7.72 2dc0B1 ALA 1019 HA -0.02 0.04 0.42 -0.75 4.34 4.03 2dc0B1 ALA 1019 HB3 -0.01 0.01 0.13 -0.04 1.41 1.50 2dc0B1 LEU 1020 H -0.02 0.58 -0.08 -0.55 8.37 8.30 2dc0B1 LEU 1020 HA -0.02 0.05 0.45 -0.75 4.35 4.07 2dc0B1 LEU 1020 HB2 -0.02 0.18 0.19 -0.04 1.64 1.95 2dc0B1 LEU 1020 HB3 -0.02 -0.02 0.07 -0.04 1.64 1.62 2dc0B1 LEU 1020 HG 0.00 0.02 -0.04 -0.04 1.64 1.58 2dc0B1 LEU 1020 HD13 0.02 0.03 -0.11 -0.04 0.93 0.83 2dc0B1 LEU 1020 HD23 0.00 -0.01 -0.03 -0.04 0.89 0.81 2dc0B1 LEU 1021 H -0.07 0.47 -0.19 -0.55 8.37 8.04 2dc0B1 LEU 1021 HA -0.28 0.02 0.47 -0.75 4.35 3.81 2dc0B1 LEU 1021 HB2 -0.12 0.06 0.11 -0.04 1.64 1.65 2dc0B1 LEU 1021 HB3 -0.09 0.12 0.19 -0.04 1.64 1.82 2dc0B1 LEU 1021 HG -0.15 -0.04 -0.27 -0.04 1.64 1.14 2dc0B1 LEU 1021 HD13 -0.42 -0.01 -0.00 -0.04 0.93 0.46 2dc0B1 LEU 1021 HD23 -0.05 -0.01 -0.19 -0.04 0.89 0.60 2dc0B1 GLU 1022 H -0.07 0.56 -0.06 -0.55 8.60 8.48 2dc0B1 GLU 1022 HA -0.06 -0.03 0.41 -0.75 4.29 3.85 2dc0B1 GLU 1022 HB2 -0.03 0.14 0.18 -0.04 2.09 2.34 2dc0B1 GLU 1022 HB3 -0.03 -0.04 0.01 -0.04 1.99 1.90 2dc0B1 GLU 1022 HG2 -0.03 0.22 0.05 -0.04 2.34 2.53 2dc0B1 GLU 1022 HG3 -0.02 -0.04 -0.00 -0.04 2.34 2.23 2dc0B1 GLU 1023 H -0.05 0.49 -0.21 -0.55 8.60 8.28 2dc0B1 GLU 1023 HA -0.01 0.00 0.47 -0.75 4.29 4.00 2dc0B1 GLU 1023 HB2 -0.01 -0.01 0.13 -0.04 2.09 2.16 2dc0B1 GLU 1023 HB3 -0.02 0.14 0.15 -0.04 1.99 2.21 2dc0B1 GLU 1023 HG2 0.01 -0.00 0.02 -0.04 2.34 2.32 2dc0B1 GLU 1023 HG3 0.01 0.10 -0.09 -0.04 2.34 2.32 2dc0B1 ALA 1024 H -0.11 0.39 -0.16 -0.55 8.40 7.98 2dc0B1 ALA 1024 HA -0.01 0.30 0.58 -0.75 4.34 4.46 2dc0B1 ALA 1024 HB3 -0.30 0.01 0.13 -0.04 1.41 1.21 2dc0B1 LEU 1025 H -0.14 0.70 -0.03 -0.55 8.37 8.36 2dc0B1 LEU 1025 HA 0.00 -0.01 0.39 -0.75 4.35 3.98 2dc0B1 LEU 1025 HB2 -0.06 0.10 0.13 -0.04 1.64 1.77 2dc0B1 LEU 1025 HB3 -0.02 -0.08 0.01 -0.04 1.64 1.51 2dc0B1 LEU 1025 HG -0.19 0.21 0.02 -0.04 1.64 1.65 2dc0B1 LEU 1025 HD13 -0.05 -0.03 -0.04 -0.04 0.93 0.77 2dc0B1 LEU 1025 HD23 0.01 -0.02 -0.05 -0.04 0.89 0.79 2dc0B1 GLU 1026 H -0.02 0.51 -0.31 -0.55 8.60 8.24 2dc0B1 GLU 1026 HA -0.01 -0.03 0.47 -0.75 4.29 3.97 2dc0B1 GLU 1026 HB2 -0.01 0.06 0.15 -0.04 2.09 2.25 2dc0B1 GLU 1026 HB3 0.00 0.20 0.19 -0.04 1.99 2.35 2dc0B1 GLU 1026 HG2 -0.01 0.01 -0.13 -0.04 2.34 2.17 2dc0B1 GLU 1026 HG3 -0.01 -0.08 0.06 -0.04 2.34 2.26 2dc0B1 ARG 1027 H 0.05 0.55 -0.13 -0.55 8.46 8.37 2dc0B1 ARG 1027 HA 0.13 0.00 0.44 -0.75 4.34 4.16 2dc0B1 ARG 1027 HB2 0.12 0.09 0.01 -0.04 1.90 2.09 2dc0B1 ARG 1027 HB3 0.25 0.08 -0.08 -0.04 1.80 2.01 2dc0B1 ARG 1027 HG2 0.07 0.18 0.16 -0.04 1.67 2.04 2dc0B1 ARG 1027 HG3 0.09 0.12 0.05 -0.04 1.67 1.89 2dc0B1 ARG 1027 HD2 0.17 -0.14 0.02 -0.04 3.22 3.22 2dc0B1 ARG 1027 HD3 0.10 -0.09 0.03 -0.04 3.22 3.22 2dc0B1 ALA 1028 H 0.09 0.50 -0.22 -0.55 8.40 8.23 2dc0B1 ALA 1028 HA 0.15 0.03 0.27 -0.75 4.34 4.04 2dc0B1 ALA 1028 HB3 0.12 0.01 0.02 -0.04 1.41 1.52 2dc0B1 LYS 1029 H 0.04 0.43 -0.33 -0.55 8.42 8.00 2dc0B1 LYS 1029 HA 0.02 0.02 0.52 -0.75 4.32 4.12 2dc0B1 LYS 1029 HB2 0.00 0.01 0.12 -0.04 1.87 1.96 2dc0B1 LYS 1029 HB3 -0.01 0.12 0.15 -0.04 1.79 2.01 2dc0B1 LYS 1029 HG2 -0.02 0.00 -0.10 -0.04 1.46 1.30 2dc0B1 LYS 1029 HG3 -0.01 -0.04 0.07 -0.04 1.46 1.44 2dc0B1 LYS 1029 HD2 -0.01 0.01 0.01 -0.04 1.69 1.65 2dc0B1 LYS 1029 HD3 -0.01 -0.05 0.00 -0.04 1.68 1.58 2dc0B1 LYS 1029 HE2 -0.00 -0.02 0.01 -0.04 2.99 2.94 2dc0B1 LYS 1029 HE3 -0.00 0.06 0.01 -0.04 2.99 3.02 2dc0B1 ALA 1030 H -0.04 0.52 -0.08 -0.55 8.40 8.24 2dc0B1 ALA 1030 HA -0.16 -0.02 0.45 -0.75 4.34 3.86 2dc0B1 ALA 1030 HB3 -0.30 0.01 0.12 -0.04 1.41 1.20 2dc0B1 PHE 1031 H 0.07 0.45 -0.43 -0.55 8.34 7.88 2dc0B1 PHE 1031 HA 0.02 0.15 0.92 -0.75 4.62 4.95 2dc0B1 PHE 1031 HB2 0.03 0.15 0.06 -0.04 3.15 3.34 2dc0B1 PHE 1031 HB3 0.03 -0.11 0.17 -0.04 3.06 3.10 2dc0B1 PHE 1031 HD2 0.02 0.04 0.01 -0.04 7.28 7.31 2dc0B1 PHE 1031 HE2 0.02 0.01 0.01 -0.04 7.38 7.37 2dc0B1 PHE 1031 HZ 0.01 -0.03 0.00 -0.04 7.32 7.26 2dc0B1 GLN 1032 H 0.03 0.39 -0.31 -0.55 8.47 8.03 2dc0B1 GLN 1032 HA 0.07 0.04 0.49 -0.75 4.36 4.21 2dc0B1 GLN 1032 HB2 0.02 0.01 0.10 -0.04 2.15 2.23 2dc0B1 GLN 1032 HB3 0.03 -0.05 0.07 -0.04 2.02 2.03 2dc0B1 GLN 1032 HG2 0.04 -0.05 0.10 -0.04 2.40 2.45 2dc0B1 GLN 1032 HG3 0.02 0.24 0.28 -0.04 2.39 2.89 2dc0B1 GLN 1032 HE21 0.00 -0.06 0.03 -0.04 6.97 6.90 2dc0B1 GLN 1032 HE22 0.01 -0.01 0.01 -0.04 7.69 7.66 2dc0B1 ASP 1033 H 0.06 0.15 -0.27 -0.55 8.40 7.79 2dc0B1 ASP 1033 HA 0.04 0.07 0.38 -0.75 4.63 4.36 2dc0B1 ASP 1033 HB2 0.06 0.03 0.03 -0.04 2.71 2.79 2dc0B1 ASP 1033 HB3 0.05 0.04 0.01 -0.04 2.70 2.75 2dc0B1 ARG 1034 H 0.12 0.40 -0.55 -0.55 8.46 7.88 2dc0B1 ARG 1034 HA 0.06 0.09 0.49 -0.75 4.34 4.24 2dc0B1 ARG 1034 HB2 0.09 -0.01 0.01 -0.04 1.90 1.95 2dc0B1 ARG 1034 HB3 0.05 0.05 0.00 -0.04 1.80 1.86 2dc0B1 ARG 1034 HG2 0.24 -0.08 0.00 -0.04 1.67 1.80 2dc0B1 ARG 1034 HG3 0.04 0.01 -0.02 -0.04 1.67 1.66 2dc0B1 ARG 1034 HD2 0.04 0.17 -0.29 -0.04 3.22 3.09 2dc0B1 ARG 1034 HD3 0.09 -0.08 -0.23 -0.04 3.22 2.96 2dc0B1 ASN 1035 H 0.06 0.35 -0.19 -0.55 8.53 8.21 2dc0B1 ASN 1035 HA 0.05 -0.00 0.33 -0.75 4.76 4.38 2dc0B1 ASN 1035 HB2 0.04 0.01 -0.18 -0.04 2.88 2.71 2dc0B1 ASN 1035 HB3 0.04 0.28 -0.01 -0.04 2.79 3.06 2dc0B1 ASN 1035 HD21 0.03 0.28 -0.11 -0.04 7.03 7.19 2dc0B1 ASN 1035 HD22 0.03 0.36 -0.36 -0.04 7.74 7.72 2dc0B1 ALA 1036 H 0.06 0.12 -0.16 -0.55 8.40 7.87 2dc0B1 ALA 1036 HA 0.04 0.10 0.55 -0.75 4.34 4.27 2dc0B1 ALA 1036 HB3 0.04 0.05 -0.00 -0.04 1.41 1.45 2dc0B1 LEU 1037 H 0.04 0.13 -0.13 -0.55 8.37 7.86 2dc0B1 LEU 1037 HA 0.02 0.12 1.07 -0.75 4.35 4.81 2dc0B1 LEU 1037 HB2 0.03 0.02 -0.01 -0.04 1.64 1.64 2dc0B1 LEU 1037 HB3 0.01 0.01 -0.12 -0.04 1.64 1.50 2dc0B1 LEU 1037 HG 0.06 -0.03 -0.13 -0.04 1.64 1.50 2dc0B1 LEU 1037 HD13 0.09 0.01 -0.12 -0.04 0.93 0.86 2dc0B1 LEU 1037 HD23 -0.01 0.03 -0.29 -0.04 0.89 0.58 2dc0B1 ALA 1038 H 0.04 0.48 0.25 -0.55 8.40 8.63 2dc0B1 ALA 1038 HA 0.06 0.18 0.59 -0.75 4.34 4.42 2dc0B1 ALA 1038 HB3 0.06 -0.04 -0.18 -0.04 1.41 1.21 2dc0B1 TYR 1039 H 0.10 0.37 0.18 -0.55 8.29 8.38 2dc0B1 TYR 1039 HA 0.01 0.16 0.67 -0.75 4.56 4.64 2dc0B1 TYR 1039 HB2 -0.00 0.10 -0.16 -0.04 3.06 2.96 2dc0B1 TYR 1039 HB3 -0.01 -0.09 0.08 -0.04 2.98 2.92 2dc0B1 TYR 1039 HD2 -0.00 0.01 -0.06 -0.04 7.15 7.06 2dc0B1 TYR 1039 HE2 0.01 0.02 -0.02 -0.04 6.85 6.82 2dc0B1 LEU 1040 H -0.57 0.25 0.07 -0.55 8.37 7.57 2dc0B1 LEU 1040 HA -0.16 0.23 0.86 -0.75 4.35 4.53 2dc0B1 LEU 1040 HB2 -0.03 0.07 -0.15 -0.04 1.64 1.49 2dc0B1 LEU 1040 HB3 -0.09 0.00 0.03 -0.04 1.64 1.55 2dc0B1 LEU 1040 HG -0.02 -0.18 -0.28 -0.04 1.64 1.12 2dc0B1 LEU 1040 HD13 0.18 0.03 -0.07 -0.04 0.93 1.03 2dc0B1 LEU 1040 HD23 0.06 0.01 -0.08 -0.04 0.89 0.84 2dc0B1 ASP 1041 H -0.13 0.37 0.07 -0.55 8.40 8.16 2dc0B1 ASP 1041 HA -0.15 0.19 0.98 -0.75 4.63 4.90 2dc0B1 ASP 1041 HB2 -0.06 0.12 0.06 -0.04 2.71 2.78 2dc0B1 ASP 1041 HB3 0.05 0.03 0.23 -0.04 2.70 2.97 2dc0B1 GLU 1042 H -0.04 0.30 0.01 -0.55 8.60 8.33 2dc0B1 GLU 1042 HA 0.02 0.12 0.37 -0.75 4.29 4.05 2dc0B1 GLU 1042 HB2 -0.01 -0.02 0.08 -0.04 2.09 2.10 2dc0B1 GLU 1042 HB3 -0.01 0.03 0.02 -0.04 1.99 1.99 2dc0B1 GLU 1042 HG2 0.01 0.04 -0.01 -0.04 2.34 2.34 2dc0B1 GLU 1042 HG3 -0.01 0.04 0.02 -0.04 2.34 2.35 2dc0B1 GLU 1043 H -0.00 0.10 -0.16 -0.55 8.60 7.99 2dc0B1 GLU 1043 HA 0.00 0.10 0.41 -0.75 4.29 4.04 2dc0B1 GLU 1043 HB2 0.00 0.03 0.10 -0.04 2.09 2.18 2dc0B1 GLU 1043 HB3 0.01 -0.03 0.09 -0.04 1.99 2.02 2dc0B1 GLU 1043 HG2 0.01 0.01 -0.19 -0.04 2.34 2.14 2dc0B1 GLU 1043 HG3 0.01 0.01 0.02 -0.04 2.34 2.33 2dc0B1 ALA 1044 H 0.03 0.10 -0.10 -0.55 8.40 7.88 2dc0B1 ALA 1044 HA 0.03 0.04 0.40 -0.75 4.34 4.05 2dc0B1 ALA 1044 HB3 0.06 0.04 0.09 -0.04 1.41 1.56 2dc0B1 ALA 1045 H 0.04 0.47 -0.24 -0.55 8.40 8.13 2dc0B1 ALA 1045 HA 0.07 0.06 0.36 -0.75 4.34 4.08 2dc0B1 ALA 1045 HB3 0.08 0.03 0.09 -0.04 1.41 1.57 2dc0B1 ARG 1046 H 0.01 0.68 -0.02 -0.55 8.46 8.58 2dc0B1 ARG 1046 HA -0.01 -0.01 0.40 -0.75 4.34 3.96 2dc0B1 ARG 1046 HB2 0.00 0.10 0.19 -0.04 1.90 2.15 2dc0B1 ARG 1046 HB3 -0.00 -0.06 0.01 -0.04 1.80 1.71 2dc0B1 ARG 1046 HG2 -0.02 -0.05 0.04 -0.04 1.67 1.59 2dc0B1 ARG 1046 HG3 -0.01 0.22 0.10 -0.04 1.67 1.94 2dc0B1 ARG 1046 HD2 -0.01 -0.03 -0.04 -0.04 3.22 3.10 2dc0B1 ARG 1046 HD3 -0.01 -0.03 -0.01 -0.04 3.22 3.13 2dc0B1 LYS 1047 H 0.01 0.55 -0.20 -0.55 8.42 8.22 2dc0B1 LYS 1047 HA 0.01 -0.01 0.41 -0.75 4.32 3.97 2dc0B1 LYS 1047 HB2 0.01 0.05 0.13 -0.04 1.87 2.02 2dc0B1 LYS 1047 HB3 0.02 0.15 0.15 -0.04 1.79 2.07 2dc0B1 LYS 1047 HG2 0.01 -0.01 -0.09 -0.04 1.46 1.34 2dc0B1 LYS 1047 HG3 0.01 -0.04 0.05 -0.04 1.46 1.44 2dc0B1 LYS 1047 HD2 0.01 -0.02 -0.01 -0.04 1.69 1.63 2dc0B1 LYS 1047 HD3 0.01 0.02 -0.01 -0.04 1.68 1.66 2dc0B1 LYS 1047 HE2 0.01 -0.01 -0.01 -0.04 2.99 2.94 2dc0B1 LYS 1047 HE3 0.01 -0.01 -0.01 -0.04 2.99 2.93 2dc0B1 GLU 1048 H 0.02 0.56 -0.12 -0.55 8.60 8.52 2dc0B1 GLU 1048 HA 0.01 -0.01 0.46 -0.75 4.29 3.99 2dc0B1 GLU 1048 HB2 0.02 0.03 0.12 -0.04 2.09 2.22 2dc0B1 GLU 1048 HB3 0.02 0.14 0.13 -0.04 1.99 2.24 2dc0B1 GLU 1048 HG2 0.01 0.03 -0.02 -0.04 2.34 2.32 2dc0B1 GLU 1048 HG3 -0.01 -0.03 -0.13 -0.04 2.34 2.13 2dc0B1 ALA 1049 H 0.00 0.66 -0.09 -0.55 8.40 8.43 2dc0B1 ALA 1049 HA -0.01 0.02 0.37 -0.75 4.34 3.97 2dc0B1 ALA 1049 HB3 -0.02 0.01 0.00 -0.04 1.41 1.37 2dc0B1 LEU 1050 H 0.00 0.59 -0.24 -0.55 8.37 8.17 2dc0B1 LEU 1050 HA 0.01 -0.04 0.48 -0.75 4.35 4.05 2dc0B1 LEU 1050 HB2 0.01 0.24 0.21 -0.04 1.64 2.05 2dc0B1 LEU 1050 HB3 0.01 -0.07 0.03 -0.04 1.64 1.57 2dc0B1 LEU 1050 HG 0.00 0.25 0.06 -0.04 1.64 1.91 2dc0B1 LEU 1050 HD13 0.00 -0.02 -0.01 -0.04 0.93 0.86 2dc0B1 LEU 1050 HD23 0.00 -0.03 0.02 -0.04 0.89 0.84 2dc0B1 ALA 1051 H 0.01 0.44 -0.11 -0.55 8.40 8.19 2dc0B1 ALA 1051 HA 0.02 0.00 0.46 -0.75 4.34 4.07 2dc0B1 ALA 1051 HB3 0.01 0.04 0.13 -0.04 1.41 1.55 2dc0B1 LEU 1052 H 0.00 0.57 -0.08 -0.55 8.37 8.31 2dc0B1 LEU 1052 HA 0.06 0.04 0.42 -0.75 4.35 4.12 2dc0B1 LEU 1052 HB2 -0.02 0.06 0.16 -0.04 1.64 1.80 2dc0B1 LEU 1052 HB3 -0.08 -0.04 0.05 -0.04 1.64 1.53 2dc0B1 LEU 1052 HG -0.09 0.07 0.06 -0.04 1.64 1.63 2dc0B1 LEU 1052 HD13 -0.09 -0.02 -0.08 -0.04 0.93 0.70 2dc0B1 LEU 1052 HD23 -0.55 -0.02 0.07 -0.04 0.89 0.35 2dc0B1 THR 1053 H 0.04 0.43 -0.29 -0.55 8.28 7.92 2dc0B1 THR 1053 HA 0.07 0.05 0.59 -0.75 4.39 4.35 2dc0B1 THR 1053 HB 0.02 0.12 0.27 -0.04 4.32 4.69 2dc0B1 THR 1053 HG23 0.02 -0.01 -0.02 -0.04 1.22 1.17 2dc0B1 GLU 1054 H 0.04 0.67 0.07 -0.55 8.60 8.82 2dc0B1 GLU 1054 HA 0.02 -0.00 0.42 -0.75 4.29 3.97 2dc0B1 GLU 1054 HB2 0.02 0.01 0.16 -0.04 2.09 2.24 2dc0B1 GLU 1054 HB3 0.03 0.10 0.16 -0.04 1.99 2.24 2dc0B1 GLU 1054 HG2 0.01 -0.03 0.02 -0.04 2.34 2.30 2dc0B1 GLU 1054 HG3 0.02 0.00 -0.09 -0.04 2.34 2.23 2dc0B1 GLU 1055 H 0.07 0.56 -0.25 -0.55 8.60 8.44 2dc0B1 GLU 1055 HA 0.04 -0.05 0.47 -0.75 4.29 3.99 2dc0B1 GLU 1055 HB2 0.21 0.06 0.19 -0.04 2.09 2.50 2dc0B1 GLU 1055 HB3 0.15 0.19 0.04 -0.04 1.99 2.34 2dc0B1 GLU 1055 HG2 0.06 -0.08 0.02 -0.04 2.34 2.31 2dc0B1 GLU 1055 HG3 0.06 0.05 0.05 -0.04 2.34 2.46 2dc0B1 LEU 1056 H 0.07 0.41 -0.20 -0.55 8.37 8.10 2dc0B1 LEU 1056 HA -0.14 0.07 0.38 -0.75 4.35 3.90 2dc0B1 LEU 1056 HB2 0.02 0.10 0.22 -0.04 1.64 1.94 2dc0B1 LEU 1056 HB3 0.01 0.05 0.17 -0.04 1.64 1.83 2dc0B1 LEU 1056 HG -0.04 0.01 0.02 -0.04 1.64 1.58 2dc0B1 LEU 1056 HD13 -0.20 -0.01 -0.01 -0.04 0.93 0.67 2dc0B1 LEU 1056 HD23 0.02 -0.00 0.05 -0.04 0.89 0.92 2dc0B1 ARG 1057 H 0.01 0.32 -0.29 -0.55 8.46 7.94 2dc0B1 ARG 1057 HA -0.01 0.10 0.57 -0.75 4.34 4.24 2dc0B1 ARG 1057 HB2 0.01 0.12 0.18 -0.04 1.90 2.17 2dc0B1 ARG 1057 HB3 0.00 -0.07 0.05 -0.04 1.80 1.74 2dc0B1 ARG 1057 HG2 0.00 0.01 0.02 -0.04 1.67 1.66 2dc0B1 ARG 1057 HG3 0.01 0.12 0.02 -0.04 1.67 1.78 2dc0B1 ARG 1057 HD2 0.01 -0.04 0.01 -0.04 3.22 3.16 2dc0B1 ARG 1057 HD3 0.00 -0.01 0.02 -0.04 3.22 3.19 2dc0B1 ARG 1058 H 0.00 0.42 -0.06 -0.55 8.46 8.28 2dc0B1 ARG 1058 HA -0.00 0.06 0.55 -0.75 4.34 4.19 2dc0B1 ARG 1058 HB2 0.00 -0.07 0.16 -0.04 1.90 1.96 2dc0B1 ARG 1058 HB3 0.01 -0.03 0.12 -0.04 1.80 1.86 2dc0B1 ARG 1058 HG2 0.01 0.32 0.25 -0.04 1.67 2.20 2dc0B1 ARG 1058 HG3 0.01 -0.08 -0.04 -0.04 1.67 1.52 2dc0B1 ARG 1058 HD2 0.02 0.06 -0.13 -0.04 3.22 3.12 2dc0B1 ARG 1058 HD3 0.03 -0.06 -0.00 -0.04 3.22 3.14 2dc0B1 GLY 1059 H -0.02 0.22 -0.83 -0.55 8.43 7.25 2dc0B1 GLY 1059 HA2 -0.03 0.07 0.22 -0.51 4.01 3.76 2dc0B1 GLY 1059 HA3 -0.02 0.03 0.49 -0.51 4.01 4.00 2dc0B1 GLN 1060 H -0.02 0.46 -0.12 -0.55 8.47 8.24 2dc0B1 GLN 1060 HA -0.01 0.10 0.77 -0.75 4.36 4.46 2dc0B1 GLN 1060 HB2 0.03 -0.05 0.09 -0.04 2.15 2.17 2dc0B1 GLN 1060 HB3 0.03 -0.02 -0.05 -0.04 2.02 1.93 2dc0B1 GLN 1060 HG2 0.00 0.05 -0.16 -0.04 2.40 2.26 2dc0B1 GLN 1060 HG3 0.01 0.01 -0.10 -0.04 2.39 2.27 2dc0B1 GLN 1060 HE21 0.02 -0.05 -0.03 -0.04 6.97 6.87 2dc0B1 GLN 1060 HE22 0.01 0.03 -0.04 -0.04 7.69 7.66 2dc0B1 VAL 1061 H -0.02 0.24 0.12 -0.55 8.24 8.03 2dc0B1 VAL 1061 HA -0.29 0.13 0.87 -0.75 4.13 4.09 2dc0B1 VAL 1061 HB -0.03 -0.01 0.05 -0.04 2.12 2.09 2dc0B1 VAL 1061 HG13 -0.05 -0.03 -0.06 -0.04 0.97 0.80 2dc0B1 VAL 1061 HG23 -0.14 0.04 -0.23 -0.04 0.95 0.57 2dc0B1 ARG 1062 H 0.68 0.13 0.11 -0.55 8.46 8.83 2dc0B1 ARG 1062 HA 0.09 0.07 0.47 -0.75 4.34 4.22 2dc0B1 ARG 1062 HB2 0.11 -0.07 0.04 -0.04 1.90 1.93 2dc0B1 ARG 1062 HB3 0.05 0.12 -0.06 -0.04 1.80 1.87 2dc0B1 ARG 1062 HG2 0.08 -0.01 -0.03 -0.04 1.67 1.67 2dc0B1 ARG 1062 HG3 0.22 -0.02 0.01 -0.04 1.67 1.84 2dc0B1 ARG 1062 HD2 -0.14 0.02 0.04 -0.04 3.22 3.10 2dc0B1 ARG 1062 HD3 -0.02 0.05 -0.01 -0.04 3.22 3.20 2dc0B1 GLY 1063 H 0.16 0.12 0.01 -0.55 8.43 8.18 2dc0B1 GLY 1063 HA2 0.05 0.08 0.34 -0.51 4.01 3.97 2dc0B1 GLY 1063 HA3 0.05 0.09 0.41 -0.51 4.01 4.05 2dc0B1 PRO 1064 HA 0.14 0.10 0.48 -0.51 4.44 4.65 2dc0B1 PRO 1064 HB2 0.31 -0.01 0.03 -0.04 2.28 2.57 2dc0B1 PRO 1064 HB3 0.16 0.01 0.10 -0.04 2.02 2.24 2dc0B1 PRO 1064 HG2 -0.05 0.03 0.03 -0.04 2.03 2.00 2dc0B1 PRO 1064 HG3 -0.02 0.03 0.05 -0.04 2.03 2.06 2dc0B1 PRO 1064 HD2 0.02 0.16 0.28 -0.04 3.68 4.09 2dc0B1 PRO 1064 HD3 0.04 0.12 0.18 -0.04 3.65 3.95 2dc0B1 LEU 1065 H 0.07 0.53 -0.26 -0.55 8.37 8.16 2dc0B1 LEU 1065 HA 0.16 0.16 0.73 -0.75 4.35 4.64 2dc0B1 LEU 1065 HB2 0.01 0.02 -0.28 -0.04 1.64 1.35 2dc0B1 LEU 1065 HB3 0.04 -0.07 -0.01 -0.04 1.64 1.56 2dc0B1 LEU 1065 HG -0.10 -0.02 -0.20 -0.04 1.64 1.28 2dc0B1 LEU 1065 HD13 -0.09 0.00 -0.08 -0.04 0.93 0.72 2dc0B1 LEU 1065 HD23 0.06 0.02 -0.15 -0.04 0.89 0.78 2dc0B1 HIS 1066 H 0.18 0.33 -0.25 -0.55 8.41 8.12 2dc0B1 HIS 1066 HA 0.03 0.09 0.34 -0.75 4.63 4.34 2dc0B1 HIS 1066 HB2 0.03 -0.08 0.23 -0.04 3.26 3.41 2dc0B1 HIS 1066 HB3 0.03 0.05 0.12 -0.04 3.20 3.36 2dc0B1 HIS 1066 HD2 0.02 -0.01 -0.49 -0.04 6.97 6.45 2dc0B1 HIS 1066 HE1 0.01 0.02 0.06 -0.04 7.75 7.79 2dc0B1 GLY 1067 H -0.23 0.46 0.21 -0.55 8.43 8.33 2dc0B1 GLY 1067 HA2 -0.05 -0.06 0.33 -0.51 4.01 3.72 2dc0B1 GLY 1067 HA3 0.11 0.05 0.44 -0.51 4.01 4.09 2dc0B1 LEU 1068 H 0.04 0.63 -0.30 -0.55 8.37 8.19 2dc0B1 LEU 1068 HA 0.05 0.13 0.61 -0.75 4.35 4.39 2dc0B1 LEU 1068 HB2 0.08 0.00 0.06 -0.04 1.64 1.74 2dc0B1 LEU 1068 HB3 0.08 -0.06 -0.08 -0.04 1.64 1.54 2dc0B1 LEU 1068 HG 0.10 0.19 -0.38 -0.04 1.64 1.51 2dc0B1 LEU 1068 HD13 0.16 -0.05 -0.04 -0.04 0.93 0.96 2dc0B1 LEU 1068 HD23 0.06 -0.01 -0.21 -0.04 0.89 0.69 2dc0B1 PRO 1069 HA 0.18 0.33 0.72 -0.51 4.44 5.17 2dc0B1 PRO 1069 HB2 -0.14 -0.01 0.03 -0.04 2.28 2.12 2dc0B1 PRO 1069 HB3 -0.12 0.02 0.05 -0.04 2.02 1.93 2dc0B1 PRO 1069 HG2 0.04 -0.10 0.16 -0.04 2.03 2.09 2dc0B1 PRO 1069 HG3 -0.07 0.09 -0.09 -0.04 2.03 1.92 2dc0B1 PRO 1069 HD2 0.04 0.05 0.21 -0.04 3.68 3.94 2dc0B1 PRO 1069 HD3 0.01 0.31 0.27 -0.04 3.65 4.19 2dc0B1 LEU 1070 H 0.26 0.65 0.38 -0.55 8.37 9.11 2dc0B1 LEU 1070 HA 0.15 0.12 0.95 -0.75 4.35 4.82 2dc0B1 LEU 1070 HB2 0.04 -0.05 -0.11 -0.04 1.64 1.48 2dc0B1 LEU 1070 HB3 0.01 0.08 -0.02 -0.04 1.64 1.67 2dc0B1 LEU 1070 HG 0.06 -0.04 -0.14 -0.04 1.64 1.48 2dc0B1 LEU 1070 HD13 0.07 -0.05 -0.58 -0.04 0.93 0.33 2dc0B1 LEU 1070 HD23 -0.00 -0.01 -0.18 -0.04 0.89 0.66 2dc0B1 THR 1071 H -0.04 0.48 0.39 -0.55 8.28 8.56 2dc0B1 THR 1071 HA -0.34 0.15 1.06 -0.75 4.39 4.51 2dc0B1 THR 1071 HB -0.18 -0.03 -0.06 -0.04 4.32 4.01 2dc0B1 THR 1071 HG23 -0.49 -0.00 -0.20 -0.04 1.22 0.49 2dc0B1 VAL 1072 H -0.09 0.59 0.39 -0.55 8.24 8.57 2dc0B1 VAL 1072 HA -0.05 0.05 1.09 -0.75 4.13 4.47 2dc0B1 VAL 1072 HB -0.01 0.03 0.07 -0.04 2.12 2.17 2dc0B1 VAL 1072 HG13 -0.00 0.06 -0.03 -0.04 0.97 0.95 2dc0B1 VAL 1072 HG23 -0.09 -0.01 -0.25 -0.04 0.95 0.57 2dc0B1 LYS 1073 H 0.11 0.71 0.38 -0.55 8.42 9.07 2dc0B1 LYS 1073 HA 0.08 0.03 0.53 -0.75 4.32 4.21 2dc0B1 LYS 1073 HB2 0.16 0.14 0.36 -0.04 1.87 2.50 2dc0B1 LYS 1073 HB3 0.35 -0.07 0.19 -0.04 1.79 2.21 2dc0B1 LYS 1073 HG2 0.08 -0.04 -0.11 -0.04 1.46 1.34 2dc0B1 LYS 1073 HG3 0.08 0.09 0.07 -0.04 1.46 1.66 2dc0B1 LYS 1073 HD2 0.11 -0.10 0.10 -0.04 1.69 1.76 2dc0B1 LYS 1073 HD3 0.11 -0.03 -0.04 -0.04 1.68 1.68 2dc0B1 LYS 1073 HE2 0.04 0.02 -0.14 -0.04 2.99 2.87 2dc0B1 LYS 1073 HE3 0.06 0.41 -0.29 -0.04 2.99 3.13 2dc0B1 ASP 1074 H 0.06 0.44 0.30 -0.55 8.40 8.66 2dc0B1 ASP 1074 HA 0.06 0.22 0.39 -0.75 4.63 4.54 2dc0B1 ASP 1074 HB2 0.04 0.17 0.17 -0.04 2.71 3.05 2dc0B1 ASP 1074 HB3 0.03 -0.09 0.20 -0.04 2.70 2.81 2dc0B1 LEU 1075 H 0.05 0.36 -0.41 -0.55 8.37 7.82 2dc0B1 LEU 1075 HA -0.05 0.17 0.84 -0.75 4.35 4.56 2dc0B1 LEU 1075 HB2 -0.15 0.07 0.09 -0.04 1.64 1.60 2dc0B1 LEU 1075 HB3 -0.06 -0.03 -0.13 -0.04 1.64 1.37 2dc0B1 LEU 1075 HG -0.20 -0.05 -0.15 -0.04 1.64 1.20 2dc0B1 LEU 1075 HD13 -0.98 0.06 -0.35 -0.04 0.93 -0.38 2dc0B1 LEU 1075 HD23 -0.10 0.01 -0.15 -0.04 0.89 0.61 2dc0B1 PHE 1076 H 0.15 0.37 0.14 -0.55 8.34 8.45 2dc0B1 PHE 1076 HA -0.01 0.14 0.76 -0.75 4.62 4.76 2dc0B1 PHE 1076 HB2 -0.01 0.07 0.11 -0.04 3.15 3.27 2dc0B1 PHE 1076 HB3 -0.01 -0.01 -0.07 -0.04 3.06 2.92 2dc0B1 PHE 1076 HD2 -0.01 0.03 -0.02 -0.04 7.28 7.25 2dc0B1 PHE 1076 HE2 -0.00 -0.03 -0.19 -0.04 7.38 7.12 2dc0B1 PHE 1076 HZ -0.00 0.06 -0.10 -0.04 7.32 7.23 2dc0B1 PRO 1077 HA 0.02 0.07 0.35 -0.51 4.44 4.37 2dc0B1 PRO 1077 HB2 0.02 -0.27 -0.38 -0.04 2.28 1.62 2dc0B1 PRO 1077 HB3 -0.00 0.17 -0.15 -0.04 2.02 1.99 2dc0B1 PRO 1077 HG2 0.00 0.17 -0.02 -0.04 2.03 2.14 2dc0B1 PRO 1077 HG3 -0.01 0.00 -0.08 -0.04 2.03 1.91 2dc0B1 PRO 1077 HD2 0.07 -0.03 0.06 -0.04 3.68 3.73 2dc0B1 PRO 1077 HD3 -0.00 0.25 0.23 -0.04 3.65 4.08 2dc0B1 VAL 1078 H -0.00 0.31 0.14 -0.55 8.24 8.14 2dc0B1 VAL 1078 HA 0.01 0.03 0.85 -0.75 4.13 4.26 2dc0B1 VAL 1078 HB 0.01 -0.00 -0.01 -0.04 2.12 2.07 2dc0B1 VAL 1078 HG13 0.01 0.03 -0.14 -0.04 0.97 0.83 2dc0B1 VAL 1078 HG23 0.02 0.05 -0.22 -0.04 0.95 0.76 2dc0B1 LYS 1079 H 0.00 0.06 0.07 -0.55 8.42 7.99 2dc0B1 LYS 1079 HA -0.01 0.07 0.38 -0.75 4.32 4.01 2dc0B1 LYS 1079 HB2 0.00 0.00 0.07 -0.04 1.87 1.91 2dc0B1 LYS 1079 HB3 0.00 -0.00 -0.03 -0.04 1.79 1.72 2dc0B1 LYS 1079 HG2 -0.00 -0.00 -0.08 -0.04 1.46 1.34 2dc0B1 LYS 1079 HG3 0.00 -0.01 -0.03 -0.04 1.46 1.37 2dc0B1 LYS 1079 HD2 0.00 0.02 -0.04 -0.04 1.69 1.63 2dc0B1 LYS 1079 HD3 0.00 -0.01 -0.04 -0.04 1.68 1.60 2dc0B1 LYS 1079 HE2 -0.00 -0.03 -0.07 -0.04 2.99 2.85 2dc0B1 LYS 1079 HE3 -0.00 0.00 -0.07 -0.04 2.99 2.88 2dc0B1 GLY 1080 H -0.01 0.11 0.17 -0.55 8.43 8.15 2dc0B1 GLY 1080 HA2 -0.00 -0.04 0.34 -0.51 4.01 3.79 2dc0B1 GLY 1080 HA3 0.02 0.07 0.46 -0.51 4.01 4.04 2dc0B1 MET 1081 H -0.05 0.52 -0.30 -0.55 8.47 8.10 2dc0B1 MET 1081 HA -0.34 0.15 0.93 -0.75 4.52 4.50 2dc0B1 MET 1081 HB2 -0.04 0.04 -0.08 -0.04 2.15 2.04 2dc0B1 MET 1081 HB3 -0.15 0.04 -0.07 -0.04 2.03 1.81 2dc0B1 MET 1081 HG2 0.33 -0.04 -0.16 -0.04 2.63 2.71 2dc0B1 MET 1081 HG3 0.09 0.07 -0.43 -0.04 2.56 2.24 2dc0B1 MET 1081 HE3 0.06 -0.00 -0.28 -0.04 2.10 1.84 2dc0B1 PRO 1082 HA -0.15 0.08 0.51 -0.51 4.44 4.38 2dc0B1 PRO 1082 HB2 -0.16 0.05 -0.07 -0.04 2.28 2.06 2dc0B1 PRO 1082 HB3 -0.20 0.01 0.04 -0.04 2.02 1.83 2dc0B1 PRO 1082 HG2 -0.45 0.01 0.01 -0.04 2.03 1.56 2dc0B1 PRO 1082 HG3 -0.46 0.04 0.03 -0.04 2.03 1.60 2dc0B1 PRO 1082 HD2 -1.65 0.05 0.20 -0.04 3.68 2.24 2dc0B1 PRO 1082 HD3 -0.69 0.15 0.12 -0.04 3.65 3.19 2dc0B1 THR 1083 H -0.09 0.22 0.11 -0.55 8.28 7.98 2dc0B1 THR 1083 HA -0.04 0.11 0.83 -0.75 4.39 4.54 2dc0B1 THR 1083 HB -0.04 0.02 0.08 -0.04 4.32 4.34 2dc0B1 THR 1083 HG23 -0.02 0.01 -0.31 -0.04 1.22 0.87 2dc0B1 ARG 1084 H -0.02 0.09 0.16 -0.55 8.46 8.13 2dc0B1 ARG 1084 HA -0.06 0.32 1.00 -0.75 4.34 4.84 2dc0B1 ARG 1084 HB2 -0.02 -0.06 0.04 -0.04 1.90 1.82 2dc0B1 ARG 1084 HB3 -0.05 0.08 0.10 -0.04 1.80 1.89 2dc0B1 ARG 1084 HG2 -0.08 0.09 -0.08 -0.04 1.67 1.56 2dc0B1 ARG 1084 HG3 -0.06 -0.08 -0.31 -0.04 1.67 1.17 2dc0B1 ARG 1084 HD2 -0.05 -0.01 -0.05 -0.04 3.22 3.06 2dc0B1 ARG 1084 HD3 -0.02 0.01 -0.06 -0.04 3.22 3.11 2dc0B1 ALA 1085 H -0.00 0.31 0.20 -0.55 8.40 8.36 2dc0B1 ALA 1085 HA 0.02 0.06 0.24 -0.75 4.34 3.90 2dc0B1 ALA 1085 HB3 0.03 0.04 -0.01 -0.04 1.41 1.43 2dc0B1 GLY 1086 H 0.02 0.05 -0.38 -0.55 8.43 7.57 2dc0B1 GLY 1086 HA2 0.06 0.04 0.22 -0.51 4.01 3.82 2dc0B1 GLY 1086 HA3 0.07 -0.00 0.29 -0.51 4.01 3.85 2dc0B1 THR 1087 H -0.03 0.60 -0.17 -0.55 8.28 8.14 2dc0B1 THR 1087 HA 0.10 0.07 0.98 -0.75 4.39 4.78 2dc0B1 THR 1087 HB 0.09 -0.08 -0.10 -0.04 4.32 4.19 2dc0B1 THR 1087 HG23 -0.09 0.11 -0.12 -0.04 1.22 1.07 2dc0B1 LYS 1088 H -0.84 0.40 0.30 -0.55 8.42 7.73 2dc0B1 LYS 1088 HA -0.48 0.17 0.83 -0.75 4.32 4.08 2dc0B1 LYS 1088 HB2 -1.54 0.12 0.15 -0.04 1.87 0.56 2dc0B1 LYS 1088 HB3 -0.75 -0.04 0.13 -0.04 1.79 1.09 2dc0B1 LYS 1088 HG2 -1.56 -0.10 -0.11 -0.04 1.46 -0.35 2dc0B1 LYS 1088 HG3 -1.50 -0.00 -0.00 -0.04 1.46 -0.09 2dc0B1 LYS 1088 HD2 -0.38 -0.03 0.03 -0.04 1.69 1.26 2dc0B1 LYS 1088 HD3 -0.38 0.10 -0.03 -0.04 1.68 1.33 2dc0B1 LYS 1088 HE2 -0.07 -0.02 -0.12 -0.04 2.99 2.74 2dc0B1 LYS 1088 HE3 -0.09 -0.00 -0.01 -0.04 2.99 2.84 2dc0B1 ALA 1089 H -0.53 -0.02 -0.01 -0.55 8.40 7.29 2dc0B1 ALA 1089 HA -0.40 0.10 0.61 -0.75 4.34 3.90 2dc0B1 ALA 1089 HB3 -1.00 -0.03 -0.07 -0.04 1.41 0.26 2dc0B1 PRO 1090 HA -0.15 0.08 0.48 -0.51 4.44 4.34 2dc0B1 PRO 1090 HB2 -0.11 0.06 -0.03 -0.04 2.28 2.16 2dc0B1 PRO 1090 HB3 -0.24 0.01 0.08 -0.04 2.02 1.84 2dc0B1 PRO 1090 HG2 -0.06 -0.05 0.04 -0.04 2.03 1.92 2dc0B1 PRO 1090 HG3 -0.25 0.01 0.04 -0.04 2.03 1.79 2dc0B1 PRO 1090 HD2 -0.21 0.10 0.25 -0.04 3.68 3.78 2dc0B1 PRO 1090 HD3 -0.37 0.15 0.19 -0.04 3.65 3.58 2dc0B1 LEU 1091 H -0.06 0.12 0.15 -0.55 8.37 8.03 2dc0B1 LEU 1091 HA 0.07 0.18 0.86 -0.75 4.35 4.70 2dc0B1 LEU 1091 HB2 -0.03 -0.03 0.04 -0.04 1.64 1.58 2dc0B1 LEU 1091 HB3 0.01 0.08 0.02 -0.04 1.64 1.71 2dc0B1 LEU 1091 HG -0.04 0.05 -0.14 -0.04 1.64 1.47 2dc0B1 LEU 1091 HD13 -0.01 -0.01 -0.21 -0.04 0.93 0.66 2dc0B1 LEU 1091 HD23 0.11 0.01 -0.15 -0.04 0.89 0.82 2dc0B1 PRO 1092 HA -0.03 0.02 0.45 -0.51 4.44 4.38 2dc0B1 PRO 1092 HB2 -0.05 0.06 0.09 -0.04 2.28 2.33 2dc0B1 PRO 1092 HB3 -0.06 0.01 0.16 -0.04 2.02 2.09 2dc0B1 PRO 1092 HG2 -0.06 0.05 -0.01 -0.04 2.03 1.97 2dc0B1 PRO 1092 HG3 -0.14 0.06 0.08 -0.04 2.03 1.99 2dc0B1 PRO 1092 HD2 0.01 0.06 0.18 -0.04 3.68 3.90 2dc0B1 PRO 1092 HD3 -0.02 0.14 0.17 -0.04 3.65 3.89 2dc0B1 PRO 1093 HA -0.03 0.03 0.43 -0.51 4.44 4.36 2dc0B1 PRO 1093 HB2 -0.02 0.00 -0.03 -0.04 2.28 2.18 2dc0B1 PRO 1093 HB3 -0.02 -0.01 0.11 -0.04 2.02 2.06 2dc0B1 PRO 1093 HG2 -0.03 0.03 0.08 -0.04 2.03 2.08 2dc0B1 PRO 1093 HG3 -0.02 -0.01 0.08 -0.04 2.03 2.04 2dc0B1 PRO 1093 HD2 -0.03 0.07 0.23 -0.04 3.68 3.91 2dc0B1 PRO 1093 HD3 -0.03 0.10 0.20 -0.04 3.65 3.88 2dc0B1 LEU 1094 H -0.03 0.21 0.20 -0.55 8.37 8.21 2dc0B1 LEU 1094 HA -0.02 0.10 0.67 -0.75 4.35 4.34 2dc0B1 LEU 1094 HB2 -0.03 -0.06 0.00 -0.04 1.64 1.51 2dc0B1 LEU 1094 HB3 -0.02 0.13 0.01 -0.04 1.64 1.73 2dc0B1 LEU 1094 HG -0.03 0.21 -0.53 -0.04 1.64 1.24 2dc0B1 LEU 1094 HD13 -0.03 -0.03 -0.09 -0.04 0.93 0.74 2dc0B1 LEU 1094 HD23 -0.04 0.02 -0.20 -0.04 0.89 0.64 2dc0B1 PRO 1095 HA -0.01 0.05 0.44 -0.51 4.44 4.42 2dc0B1 PRO 1095 HB2 -0.00 -0.07 0.08 -0.04 2.28 2.24 2dc0B1 PRO 1095 HB3 -0.00 0.01 0.10 -0.04 2.02 2.09 2dc0B1 PRO 1095 HG2 0.01 0.08 -0.16 -0.04 2.03 1.91 2dc0B1 PRO 1095 HG3 0.00 -0.04 0.06 -0.04 2.03 2.00 2dc0B1 PRO 1095 HD2 -0.01 0.30 0.22 -0.04 3.68 4.15 2dc0B1 PRO 1095 HD3 -0.01 0.08 0.14 -0.04 3.65 3.81 2dc0B1 GLU 1096 H -0.01 0.09 0.12 -0.55 8.60 8.26 2dc0B1 GLU 1096 HA -0.01 0.15 0.39 -0.75 4.29 4.06 2dc0B1 GLU 1096 HB2 -0.01 0.01 0.09 -0.04 2.09 2.14 2dc0B1 GLU 1096 HB3 -0.01 -0.02 0.07 -0.04 1.99 1.99 2dc0B1 GLU 1096 HG2 -0.01 -0.01 -0.25 -0.04 2.34 2.03 2dc0B1 GLU 1096 HG3 -0.01 0.00 0.03 -0.04 2.34 2.32 2dc0B1 GLU 1097 H 0.00 0.08 -0.28 -0.55 8.60 7.86 2dc0B1 GLU 1097 HA 0.02 0.29 0.40 -0.75 4.29 4.25 2dc0B1 GLU 1097 HB2 0.00 -0.03 -0.29 -0.04 2.09 1.73 2dc0B1 GLU 1097 HB3 0.00 -0.07 -0.09 -0.04 1.99 1.80 2dc0B1 GLU 1097 HG2 0.01 0.18 -0.35 -0.04 2.34 2.13 2dc0B1 GLU 1097 HG3 0.01 0.03 -0.02 -0.04 2.34 2.31 2dc0B1 ALA 1098 H 0.06 0.56 0.11 -0.55 8.40 8.58 2dc0B1 ALA 1098 HA 0.06 0.10 0.50 -0.75 4.34 4.24 2dc0B1 ALA 1098 HB3 0.21 0.02 -0.01 -0.04 1.41 1.59 2dc0B1 ARG 1099 H 0.04 0.58 0.18 -0.55 8.46 8.71 2dc0B1 ARG 1099 HA 0.01 0.06 0.34 -0.75 4.34 3.99 2dc0B1 ARG 1099 HB2 0.01 -0.01 0.11 -0.04 1.90 1.97 2dc0B1 ARG 1099 HB3 0.02 -0.03 0.08 -0.04 1.80 1.83 2dc0B1 ARG 1099 HG2 -0.00 -0.01 0.01 -0.04 1.67 1.62 2dc0B1 ARG 1099 HG3 -0.01 0.05 -0.11 -0.04 1.67 1.57 2dc0B1 ARG 1099 HD2 -0.00 -0.02 0.05 -0.04 3.22 3.20 2dc0B1 ARG 1099 HD3 0.00 -0.02 0.02 -0.04 3.22 3.18 2dc0B1 ALA 1100 H 0.04 0.18 -0.17 -0.55 8.40 7.91 2dc0B1 ALA 1100 HA -0.05 0.16 0.43 -0.75 4.34 4.12 2dc0B1 ALA 1100 HB3 -0.12 0.07 0.03 -0.04 1.41 1.35 2dc0B1 VAL 1101 H -0.04 0.12 -0.36 -0.55 8.24 7.41 2dc0B1 VAL 1101 HA -0.11 0.03 0.38 -0.75 4.13 3.67 2dc0B1 VAL 1101 HB 0.00 0.16 0.10 -0.04 2.12 2.34 2dc0B1 VAL 1101 HG13 -0.02 -0.01 -0.10 -0.04 0.97 0.79 2dc0B1 VAL 1101 HG23 -0.05 0.02 -0.10 -0.04 0.95 0.78 2dc0B1 ARG 1102 H -0.02 0.54 -0.21 -0.55 8.46 8.22 2dc0B1 ARG 1102 HA -0.02 -0.04 0.32 -0.75 4.34 3.85 2dc0B1 ARG 1102 HB2 -0.01 -0.01 -0.01 -0.04 1.90 1.83 2dc0B1 ARG 1102 HB3 -0.01 0.23 0.12 -0.04 1.80 2.10 2dc0B1 ARG 1102 HG2 -0.01 0.04 -0.23 -0.04 1.67 1.43 2dc0B1 ARG 1102 HG3 -0.01 -0.07 0.00 -0.04 1.67 1.56 2dc0B1 ARG 1102 HD2 -0.00 0.01 -0.03 -0.04 3.22 3.16 2dc0B1 ARG 1102 HD3 -0.00 -0.01 -0.04 -0.04 3.22 3.12 2dc0B1 ARG 1103 H -0.04 0.44 -0.31 -0.55 8.46 8.00 2dc0B1 ARG 1103 HA -0.03 0.01 0.35 -0.75 4.34 3.91 2dc0B1 ARG 1103 HB2 -0.06 0.19 0.16 -0.04 1.90 2.15 2dc0B1 ARG 1103 HB3 -0.06 0.10 -0.05 -0.04 1.80 1.74 2dc0B1 ARG 1103 HG2 -0.03 0.03 0.07 -0.04 1.67 1.70 2dc0B1 ARG 1103 HG3 -0.04 0.11 0.08 -0.04 1.67 1.78 2dc0B1 ARG 1103 HD2 -0.04 0.19 0.03 -0.04 3.22 3.36 2dc0B1 ARG 1103 HD3 -0.03 -0.11 0.02 -0.04 3.22 3.06 2dc0B1 LEU 1104 H -0.07 0.38 -0.23 -0.55 8.37 7.91 2dc0B1 LEU 1104 HA -0.06 0.01 0.34 -0.75 4.35 3.89 2dc0B1 LEU 1104 HB2 -0.06 0.12 0.09 -0.04 1.64 1.75 2dc0B1 LEU 1104 HB3 -0.05 -0.08 -0.10 -0.04 1.64 1.37 2dc0B1 LEU 1104 HG -0.11 0.22 0.02 -0.04 1.64 1.73 2dc0B1 LEU 1104 HD13 -0.12 -0.03 -0.11 -0.04 0.93 0.63 2dc0B1 LEU 1104 HD23 -0.09 -0.02 -0.12 -0.04 0.89 0.62 2dc0B1 ARG 1105 H -0.03 0.63 -0.08 -0.55 8.46 8.42 2dc0B1 ARG 1105 HA -0.02 0.11 0.37 -0.75 4.34 4.05 2dc0B1 ARG 1105 HB2 -0.02 -0.03 0.04 -0.04 1.90 1.85 2dc0B1 ARG 1105 HB3 -0.02 0.05 0.11 -0.04 1.80 1.91 2dc0B1 ARG 1105 HG2 -0.01 0.02 -0.24 -0.04 1.67 1.39 2dc0B1 ARG 1105 HG3 -0.01 0.02 -0.01 -0.04 1.67 1.63 2dc0B1 ARG 1105 HD2 -0.00 -0.02 -0.05 -0.04 3.22 3.10 2dc0B1 ARG 1105 HD3 -0.00 -0.03 -0.03 -0.04 3.22 3.11 2dc0B1 GLU 1106 H -0.02 0.77 -0.08 -0.55 8.60 8.72 2dc0B1 GLU 1106 HA -0.00 0.00 0.37 -0.75 4.29 3.90 2dc0B1 GLU 1106 HB2 -0.02 0.11 0.06 -0.04 2.09 2.20 2dc0B1 GLU 1106 HB3 -0.00 -0.04 0.07 -0.04 1.99 1.98 2dc0B1 GLU 1106 HG2 -0.01 -0.10 0.02 -0.04 2.34 2.22 2dc0B1 GLU 1106 HG3 -0.01 0.34 0.09 -0.04 2.34 2.71 2dc0B1 ALA 1107 H -0.02 0.30 -0.67 -0.55 8.40 7.46 2dc0B1 ALA 1107 HA 0.00 0.10 0.49 -0.75 4.34 4.18 2dc0B1 ALA 1107 HB3 -0.04 0.01 0.08 -0.04 1.41 1.41 2dc0B1 GLY 1108 H -0.01 0.60 -0.58 -0.55 8.43 7.90 2dc0B1 GLY 1108 HA2 -0.06 0.06 0.22 -0.51 4.01 3.72 2dc0B1 GLY 1108 HA3 -0.01 -0.08 0.48 -0.51 4.01 3.90 2dc0B1 ALA 1109 H -0.02 0.33 -0.24 -0.55 8.40 7.93 2dc0B1 ALA 1109 HA 0.01 0.21 0.34 -0.75 4.34 4.15 2dc0B1 ALA 1109 HB3 -0.00 -0.03 -0.13 -0.04 1.41 1.21 2dc0B1 LEU 1110 H 0.04 0.83 0.09 -0.55 8.37 8.79 2dc0B1 LEU 1110 HA 0.02 0.16 0.76 -0.75 4.35 4.54 2dc0B1 LEU 1110 HB2 0.00 0.01 -0.17 -0.04 1.64 1.44 2dc0B1 LEU 1110 HB3 0.06 -0.01 -0.25 -0.04 1.64 1.39 2dc0B1 LEU 1110 HG 0.14 -0.08 -0.26 -0.04 1.64 1.40 2dc0B1 LEU 1110 HD13 0.05 0.02 -0.15 -0.04 0.93 0.80 2dc0B1 LEU 1110 HD23 -0.01 -0.01 -0.10 -0.04 0.89 0.73 2dc0B1 LEU 1111 H 0.04 0.24 -0.05 -0.55 8.37 8.05 2dc0B1 LEU 1111 HA 0.03 0.27 0.66 -0.75 4.35 4.55 2dc0B1 LEU 1111 HB2 0.01 0.00 0.10 -0.04 1.64 1.71 2dc0B1 LEU 1111 HB3 -0.02 0.01 -0.04 -0.04 1.64 1.54 2dc0B1 LEU 1111 HG 0.00 0.06 -0.18 -0.04 1.64 1.48 2dc0B1 LEU 1111 HD13 -0.03 -0.00 -0.07 -0.04 0.93 0.79 2dc0B1 LEU 1111 HD23 -0.02 -0.00 -0.29 -0.04 0.89 0.53 2dc0B1 PHE 1112 H -0.06 0.45 0.30 -0.55 8.34 8.48 2dc0B1 PHE 1112 HA 0.03 0.20 0.92 -0.75 4.62 5.01 2dc0B1 PHE 1112 HB2 0.01 -0.09 0.06 -0.04 3.15 3.09 2dc0B1 PHE 1112 HB3 0.01 0.01 -0.13 -0.04 3.06 2.91 2dc0B1 PHE 1112 HD2 0.01 0.02 -0.05 -0.04 7.28 7.22 2dc0B1 PHE 1112 HE2 0.02 -0.03 -0.34 -0.04 7.38 6.98 2dc0B1 PHE 1112 HZ 0.02 0.08 -0.63 -0.04 7.32 6.75 2dc0B1 ALA 1113 H -0.40 0.21 0.15 -0.55 8.40 7.82 2dc0B1 ALA 1113 HA -0.03 0.12 0.55 -0.75 4.34 4.22 2dc0B1 ALA 1113 HB3 -0.28 0.04 -0.04 -0.04 1.41 1.09 2dc0B1 LYS 1114 H 0.06 0.50 0.36 -0.55 8.42 8.79 2dc0B1 LYS 1114 HA -0.00 0.35 0.97 -0.75 4.32 4.88 2dc0B1 LYS 1114 HB2 0.10 -0.14 0.13 -0.04 1.87 1.93 2dc0B1 LYS 1114 HB3 0.05 0.00 0.10 -0.04 1.79 1.90 2dc0B1 LYS 1114 HG2 0.13 -0.07 -0.05 -0.04 1.46 1.43 2dc0B1 LYS 1114 HG3 0.02 0.19 -0.02 -0.04 1.46 1.61 2dc0B1 LYS 1114 HD2 0.01 -0.02 -0.22 -0.04 1.69 1.43 2dc0B1 LYS 1114 HD3 0.02 -0.01 -0.15 -0.04 1.68 1.51 2dc0B1 LYS 1114 HE2 0.06 0.04 -0.19 -0.04 2.99 2.86 2dc0B1 LYS 1114 HE3 0.06 0.04 -0.10 -0.04 2.99 2.95 2dc0B1 THR 1115 H 0.02 0.49 0.20 -0.55 8.28 8.44 2dc0B1 THR 1115 HA 0.01 0.19 1.06 -0.75 4.39 4.90 2dc0B1 THR 1115 HB 0.02 0.02 -0.19 -0.04 4.32 4.13 2dc0B1 THR 1115 HG23 -0.03 0.01 -0.30 -0.04 1.22 0.86 2dc0B1 ASN 1116 H 0.03 0.77 0.16 -0.55 8.53 8.95 2dc0B1 ASN 1116 HA 0.04 0.04 -0.05 -0.75 4.76 4.04 2dc0B1 ASN 1116 HB2 0.04 0.03 0.08 -0.04 2.88 2.99 2dc0B1 ASN 1116 HB3 0.04 0.00 0.02 -0.04 2.79 2.81 2dc0B1 ASN 1116 HD21 0.04 -0.02 -0.19 -0.04 7.03 6.81 2dc0B1 ASN 1116 HD22 0.04 0.69 0.12 -0.04 7.74 8.54 2dc0B1 HIS 1118 HA 0.02 -0.05 0.09 -0.75 4.63 3.94 2dc0B1 HIS 1118 HB2 -0.00 -0.08 -0.04 -0.04 3.26 3.10 2dc0B1 HIS 1118 HB3 0.01 0.01 -0.13 -0.04 3.20 3.05 2dc0B1 HIS 1118 HD2 0.02 0.21 -0.51 -0.04 6.97 6.64 2dc0B1 HIS 1118 HE1 -0.05 -0.01 0.05 -0.04 7.75 7.70 2dc0B1 GLU 1119 H -0.24 0.04 0.06 -0.55 8.60 7.92 2dc0B1 GLU 1119 HA 0.09 0.17 0.42 -0.75 4.29 4.22 2dc0B1 GLU 1119 HB2 0.09 0.05 0.24 -0.04 2.09 2.43 2dc0B1 GLU 1119 HB3 0.06 -0.12 0.17 -0.04 1.99 2.05 2dc0B1 GLU 1119 HG2 0.22 -0.00 -0.21 -0.04 2.34 2.31 2dc0B1 GLU 1119 HG3 0.22 0.14 -0.08 -0.04 2.34 2.58 2dc0B1 ILE 1120 H 0.08 0.76 0.30 -0.55 8.25 8.85 2dc0B1 ILE 1120 HA 0.07 0.09 0.36 -0.75 4.18 3.95 2dc0B1 ILE 1120 HB -0.01 0.05 0.19 -0.04 1.89 2.07 2dc0B1 ILE 1120 HG12 0.05 -0.10 -0.46 -0.04 1.49 0.94 2dc0B1 ILE 1120 HG13 0.01 -0.04 0.01 -0.04 1.21 1.16 2dc0B1 ILE 1120 HG23 0.02 -0.00 -0.02 -0.04 0.93 0.88 2dc0B1 ILE 1120 HD13 -0.34 -0.00 -0.04 -0.04 0.88 0.46 2dc0B1 ALA 1121 H 0.10 0.65 -0.45 -0.55 8.40 8.15 2dc0B1 ALA 1121 HA 0.09 0.07 0.23 -0.75 4.34 3.97 2dc0B1 ALA 1121 HB3 0.04 0.02 -0.04 -0.04 1.41 1.38 2dc0B1 LEU 1122 H 0.12 0.60 -0.53 -0.55 8.37 8.01 2dc0B1 LEU 1122 HA 0.01 0.07 0.69 -0.75 4.35 4.37 2dc0B1 LEU 1122 HB2 0.01 0.12 -0.03 -0.04 1.64 1.71 2dc0B1 LEU 1122 HB3 0.05 0.01 0.15 -0.04 1.64 1.80 2dc0B1 LEU 1122 HG -0.00 -0.09 -0.02 -0.04 1.64 1.49 2dc0B1 LEU 1122 HD13 -0.01 -0.00 -0.09 -0.04 0.93 0.79 2dc0B1 LEU 1122 HD23 -0.06 -0.00 -0.04 -0.04 0.89 0.75 2dc0B1 GLY 1123 H -0.14 0.40 -0.19 -0.55 8.43 7.96 2dc0B1 GLY 1123 HA2 -0.29 -0.00 0.27 -0.51 4.01 3.47 2dc0B1 GLY 1123 HA3 -1.31 0.08 0.44 -0.51 4.01 2.71 2dc0B1 ILE 1124 H -0.25 0.11 0.06 -0.55 8.25 7.61 2dc0B1 ILE 1124 HA -0.15 0.21 0.80 -0.75 4.18 4.29 2dc0B1 ILE 1124 HB -0.10 0.07 0.07 -0.04 1.89 1.88 2dc0B1 ILE 1124 HG12 0.02 -0.12 -0.06 -0.04 1.49 1.30 2dc0B1 ILE 1124 HG13 0.13 0.03 -0.29 -0.04 1.21 1.05 2dc0B1 ILE 1124 HG23 -0.04 0.03 -0.32 -0.04 0.93 0.55 2dc0B1 ILE 1124 HD13 0.19 0.03 -0.17 -0.04 0.88 0.88 2dc0B1 THR 1125 H -0.12 0.02 -0.01 -0.55 8.28 7.63 2dc0B1 THR 1125 HA -0.02 0.22 0.54 -0.75 4.39 4.38 2dc0B1 THR 1125 HB -0.08 0.08 0.02 -0.04 4.32 4.30 2dc0B1 THR 1125 HG23 -0.43 0.00 0.01 -0.04 1.22 0.76 2dc0B1 GLY 1126 H 0.48 0.02 -0.17 -0.55 8.43 8.22 2dc0B1 GLY 1126 HA2 0.12 0.08 0.18 -0.51 4.01 3.88 2dc0B1 GLY 1126 HA3 0.06 0.28 0.56 -0.51 4.01 4.39 2dc0B1 GLU 1127 H 0.05 -0.07 -0.26 -0.55 8.60 7.78 2dc0B1 GLU 1127 HA -0.03 0.15 0.67 -0.75 4.29 4.32 2dc0B1 GLU 1127 HB2 -0.03 -0.10 0.06 -0.04 2.09 1.98 2dc0B1 GLU 1127 HB3 -0.05 0.05 -0.04 -0.04 1.99 1.90 2dc0B1 GLU 1127 HG2 -0.01 0.14 -0.07 -0.04 2.34 2.37 2dc0B1 GLU 1127 HG3 0.00 0.01 -0.18 -0.04 2.34 2.14 2dc0B1 ASN 1128 H -0.07 0.30 -0.17 -0.55 8.53 8.04 2dc0B1 ASN 1128 HA -0.22 0.13 0.85 -0.75 4.76 4.77 2dc0B1 ASN 1128 HB2 -0.12 0.02 -0.26 -0.04 2.88 2.48 2dc0B1 ASN 1128 HB3 -0.03 0.30 0.01 -0.04 2.79 3.02 2dc0B1 ASN 1128 HD21 0.11 0.62 0.24 -0.04 7.03 7.97 2dc0B1 ASN 1128 HD22 -0.03 -0.05 0.02 -0.04 7.74 7.64 2dc0B1 PRO 1129 HA -0.15 0.14 0.42 -0.51 4.44 4.34 2dc0B1 PRO 1129 HB2 -0.54 0.10 0.04 -0.04 2.28 1.84 2dc0B1 PRO 1129 HB3 -0.29 0.01 0.10 -0.04 2.02 1.80 2dc0B1 PRO 1129 HG2 -1.11 0.07 0.09 -0.04 2.03 1.04 2dc0B1 PRO 1129 HG3 -0.53 -0.03 0.12 -0.04 2.03 1.55 2dc0B1 PRO 1129 HD2 -0.32 0.09 0.27 -0.04 3.68 3.68 2dc0B1 PRO 1129 HD3 -0.25 0.13 0.10 -0.04 3.65 3.59 2dc0B1 TRP 1130 H -0.13 0.01 -0.25 -0.55 7.97 7.05 2dc0B1 TRP 1130 HA -0.02 0.16 0.54 -0.75 4.62 4.54 2dc0B1 TRP 1130 HB2 -0.04 0.02 -0.00 -0.04 3.23 3.17 2dc0B1 TRP 1130 HB3 -0.03 0.07 -0.15 -0.04 3.23 3.08 2dc0B1 TRP 1130 HD1 -0.03 0.17 0.23 -0.04 7.22 7.55 2dc0B1 TRP 1130 HE1 -0.01 -0.15 0.05 -0.04 10.20 10.05 2dc0B1 TRP 1130 HE3 -0.02 0.07 -0.04 -0.04 7.59 7.56 2dc0B1 TRP 1130 HZ2 -0.01 0.19 -0.58 -0.04 7.44 7.00 2dc0B1 TRP 1130 HZ3 -0.02 -0.01 -0.04 -0.04 7.13 7.02 2dc0B1 TRP 1130 HH2 -0.01 0.06 -0.03 -0.04 7.19 7.17 2dc0B1 THR 1131 H 0.14 -0.04 -0.10 -0.55 8.28 7.73 2dc0B1 THR 1131 HA 0.10 0.20 0.81 -0.75 4.39 4.75 2dc0B1 THR 1131 HB 0.06 0.04 0.07 -0.04 4.32 4.45 2dc0B1 THR 1131 HG23 0.10 -0.04 -0.10 -0.04 1.22 1.14 2dc0B1 GLY 1132 H 0.02 0.26 -0.06 -0.55 8.43 8.10 2dc0B1 GLY 1132 HA2 -0.00 -0.06 0.35 -0.51 4.01 3.78 2dc0B1 GLY 1132 HA3 0.02 0.20 0.73 -0.51 4.01 4.45 2dc0B1 PRO 1133 HA -0.01 0.06 0.70 -0.51 4.44 4.68 2dc0B1 PRO 1133 HB2 0.01 0.18 -0.07 -0.04 2.28 2.35 2dc0B1 PRO 1133 HB3 -0.02 -0.24 0.12 -0.04 2.02 1.84 2dc0B1 PRO 1133 HG2 0.01 0.16 -0.07 -0.04 2.03 2.09 2dc0B1 PRO 1133 HG3 -0.00 -0.02 -0.00 -0.04 2.03 1.96 2dc0B1 PRO 1133 HD2 0.00 0.16 0.17 -0.04 3.68 3.97 2dc0B1 PRO 1133 HD3 -0.02 0.01 0.13 -0.04 3.65 3.73 2dc0B1 VAL 1134 H 0.02 0.42 0.27 -0.55 8.24 8.41 2dc0B1 VAL 1134 HA 0.03 0.40 0.72 -0.75 4.13 4.52 2dc0B1 VAL 1134 HB 0.03 -0.13 0.04 -0.04 2.12 2.02 2dc0B1 VAL 1134 HG13 0.03 0.00 -0.36 -0.04 0.97 0.60 2dc0B1 VAL 1134 HG23 0.03 0.03 -0.04 -0.04 0.95 0.93 2dc0B1 ARG 1135 H 0.04 0.66 0.16 -0.55 8.46 8.77 2dc0B1 ARG 1135 HA 0.04 0.08 0.85 -0.75 4.34 4.55 2dc0B1 ARG 1135 HB2 0.04 -0.04 0.08 -0.04 1.90 1.94 2dc0B1 ARG 1135 HB3 0.03 0.04 0.04 -0.04 1.80 1.87 2dc0B1 ARG 1135 HG2 0.03 -0.11 -0.22 -0.04 1.67 1.33 2dc0B1 ARG 1135 HG3 0.03 0.09 -0.21 -0.04 1.67 1.54 2dc0B1 ARG 1135 HD2 0.04 0.26 0.07 -0.04 3.22 3.55 2dc0B1 ARG 1135 HD3 0.03 0.26 0.10 -0.04 3.22 3.57 2dc0B1 ASN 1136 H 0.04 0.58 -0.01 -0.55 8.53 8.60 2dc0B1 ASN 1136 HA 0.05 -0.06 0.22 -0.75 4.76 4.21 2dc0B1 ASN 1136 HB2 0.04 0.16 -0.50 -0.04 2.88 2.53 2dc0B1 ASN 1136 HB3 0.02 0.23 0.04 -0.04 2.79 3.03 2dc0B1 ASN 1136 HD21 0.03 0.42 -0.01 -0.04 7.03 7.42 2dc0B1 ASN 1136 HD22 0.08 0.37 0.04 -0.04 7.74 8.18 2dc0B1 ALA 1137 H 0.01 0.11 0.11 -0.55 8.40 8.09 2dc0B1 ALA 1137 HA -0.07 0.08 0.32 -0.75 4.34 3.91 2dc0B1 ALA 1137 HB3 -0.06 0.02 0.08 -0.04 1.41 1.41 2dc0B1 VAL 1138 H -0.01 0.01 -0.28 -0.55 8.24 7.41 2dc0B1 VAL 1138 HA -0.01 0.17 0.66 -0.75 4.13 4.19 2dc0B1 VAL 1138 HB -0.01 -0.04 0.02 -0.04 2.12 2.05 2dc0B1 VAL 1138 HG13 -0.01 0.02 -0.05 -0.04 0.97 0.89 2dc0B1 VAL 1138 HG23 -0.01 0.01 0.00 -0.04 0.95 0.91 2dc0B1 ASP 1139 H 0.00 0.09 -0.18 -0.55 8.40 7.77 2dc0B1 ASP 1139 HA 0.02 0.21 0.81 -0.75 4.63 4.92 2dc0B1 ASP 1139 HB2 -0.00 0.08 -0.12 -0.04 2.71 2.63 2dc0B1 ASP 1139 HB3 -0.01 -0.02 0.10 -0.04 2.70 2.73 2dc0B1 PRO 1140 HA 0.03 0.18 0.31 -0.51 4.44 4.45 2dc0B1 PRO 1140 HB2 0.04 -0.00 0.01 -0.04 2.28 2.29 2dc0B1 PRO 1140 HB3 0.06 0.08 -0.02 -0.04 2.02 2.11 2dc0B1 PRO 1140 HG2 0.03 -0.04 -0.04 -0.04 2.03 1.94 2dc0B1 PRO 1140 HG3 0.05 0.03 0.01 -0.04 2.03 2.08 2dc0B1 PRO 1140 HD2 0.03 0.04 0.18 -0.04 3.68 3.89 2dc0B1 PRO 1140 HD3 0.05 0.28 0.00 -0.04 3.65 3.94 2dc0B1 SER 1141 H 0.02 0.04 -0.58 -0.55 8.46 7.40 2dc0B1 SER 1141 HA 0.02 0.21 0.85 -0.75 4.49 4.82 2dc0B1 SER 1141 HB2 0.01 0.00 0.00 -0.04 3.95 3.92 2dc0B1 SER 1141 HB3 0.01 -0.05 0.13 -0.04 3.93 3.98 2dc0B1 ARG 1142 H 0.01 0.51 -0.08 -0.55 8.46 8.35 2dc0B1 ARG 1142 HA 0.00 0.01 0.95 -0.75 4.34 4.56 2dc0B1 ARG 1142 HB2 -0.01 0.04 0.04 -0.04 1.90 1.93 2dc0B1 ARG 1142 HB3 -0.05 0.14 -0.12 -0.04 1.80 1.73 2dc0B1 ARG 1142 HG2 -0.02 -0.05 -0.29 -0.04 1.67 1.26 2dc0B1 ARG 1142 HG3 -0.01 -0.19 -0.26 -0.04 1.67 1.17 2dc0B1 ARG 1142 HD2 -0.03 -0.06 -0.05 -0.04 3.22 3.04 2dc0B1 ARG 1142 HD3 -0.07 0.37 -0.02 -0.04 3.22 3.46 2dc0B1 GLN 1143 H 0.02 0.70 0.09 -0.55 8.47 8.72 2dc0B1 GLN 1143 HA 0.06 0.08 0.48 -0.75 4.36 4.23 2dc0B1 GLN 1143 HB2 0.19 -0.00 0.07 -0.04 2.15 2.37 2dc0B1 GLN 1143 HB3 0.14 0.10 0.14 -0.04 2.02 2.36 2dc0B1 GLN 1143 HG2 0.05 -0.13 -0.02 -0.04 2.40 2.26 2dc0B1 GLN 1143 HG3 0.05 0.24 -0.23 -0.04 2.39 2.41 2dc0B1 GLN 1143 HE21 -0.14 0.04 0.02 -0.04 6.97 6.86 2dc0B1 GLN 1143 HE22 -0.01 -0.20 0.03 -0.04 7.69 7.47 2dc0B1 ALA 1144 H 0.08 0.36 0.18 -0.55 8.40 8.48 2dc0B1 ALA 1144 HA 0.13 0.05 0.46 -0.75 4.34 4.23 2dc0B1 ALA 1144 HB3 0.05 0.01 -0.39 -0.04 1.41 1.04 2dc0B1 GLY 1145 H 0.11 0.09 -0.07 -0.55 8.43 8.01 2dc0B1 GLY 1145 HA2 -0.08 0.10 0.07 -0.51 4.01 3.59 2dc0B1 GLY 1145 HA3 -0.50 0.10 0.22 -0.51 4.01 3.32 2dc0B1 GLY 1146 H -0.25 0.37 0.08 -0.55 8.43 8.08 2dc0B1 GLY 1146 HA2 -0.04 0.03 -0.17 -0.51 4.01 3.32 2dc0B1 GLY 1146 HA3 -0.02 -0.04 0.39 -0.51 4.01 3.82 2dc0B1 SER 1147 H -0.00 0.09 0.27 -0.55 8.46 8.28 2dc0B1 SER 1147 HA 0.08 0.03 0.32 -0.75 4.49 4.16 2dc0B1 SER 1147 HB2 0.12 0.16 0.17 -0.04 3.95 4.36 2dc0B1 SER 1147 HB3 0.02 0.16 0.11 -0.04 3.93 4.18 2dc0B1 SER 1148 H 0.00 0.34 -0.12 -0.55 8.46 8.14 2dc0B1 SER 1148 HA 0.05 0.09 0.65 -0.75 4.49 4.52 2dc0B1 SER 1148 HB2 0.02 0.18 0.16 -0.04 3.95 4.28 2dc0B1 SER 1148 HB3 0.05 -0.11 0.14 -0.04 3.93 3.97 2dc0B1 GLY 1149 H 0.03 0.19 -0.58 -0.55 8.43 7.52 2dc0B1 GLY 1149 HA2 0.00 0.10 0.16 -0.51 4.01 3.76 2dc0B1 GLY 1149 HA3 0.02 0.21 0.11 -0.51 4.01 3.85 2dc0B1 GLY 1150 H 0.03 0.35 -0.12 -0.55 8.43 8.14 2dc0B1 GLY 1150 HA2 0.03 0.07 0.38 -0.51 4.01 3.98 2dc0B1 GLY 1150 HA3 0.03 0.11 0.33 -0.51 4.01 3.97 2dc0B1 SER 1151 H 0.03 0.11 -0.41 -0.55 8.46 7.65 2dc0B1 SER 1151 HA 0.02 0.04 0.29 -0.75 4.49 4.07 2dc0B1 SER 1151 HB2 0.04 0.14 -0.01 -0.04 3.95 4.08 2dc0B1 SER 1151 HB3 0.03 -0.02 -0.21 -0.04 3.93 3.69 2dc0B1 ALA 1152 H 0.02 0.49 -0.25 -0.55 8.40 8.11 2dc0B1 ALA 1152 HA 0.03 -0.01 0.22 -0.75 4.34 3.83 2dc0B1 ALA 1152 HB3 0.03 0.04 -0.16 -0.04 1.41 1.28 2dc0B1 VAL 1153 H 0.02 0.56 -0.15 -0.55 8.24 8.12 2dc0B1 VAL 1153 HA -0.01 0.03 0.41 -0.75 4.13 3.80 2dc0B1 VAL 1153 HB 0.01 0.01 0.06 -0.04 2.12 2.16 2dc0B1 VAL 1153 HG13 -0.03 -0.00 -0.14 -0.04 0.97 0.76 2dc0B1 VAL 1153 HG23 0.02 0.02 -0.06 -0.04 0.95 0.89 2dc0B1 ALA 1154 H 0.02 0.63 -0.20 -0.55 8.40 8.30 2dc0B1 ALA 1154 HA 0.02 -0.04 0.31 -0.75 4.34 3.88 2dc0B1 ALA 1154 HB3 0.03 0.06 0.02 -0.04 1.41 1.49 2dc0B1 VAL 1155 H 0.02 0.47 -0.34 -0.55 8.24 7.84 2dc0B1 VAL 1155 HA 0.04 0.11 0.12 -0.75 4.13 3.65 2dc0B1 VAL 1155 HB 0.03 0.12 -0.07 -0.04 2.12 2.16 2dc0B1 VAL 1155 HG13 0.04 -0.01 -0.39 -0.04 0.97 0.56 2dc0B1 VAL 1155 HG23 0.04 0.01 -0.25 -0.04 0.95 0.71 2dc0B1 ALA 1156 H -0.00 0.43 -0.28 -0.55 8.40 7.99 2dc0B1 ALA 1156 HA -0.01 0.03 0.39 -0.75 4.34 3.99 2dc0B1 ALA 1156 HB3 -0.03 0.01 0.07 -0.04 1.41 1.41 2dc0B1 LEU 1157 H -0.08 0.51 -0.20 -0.55 8.37 8.05 2dc0B1 LEU 1157 HA -0.22 0.14 0.65 -0.75 4.35 4.16 2dc0B1 LEU 1157 HB2 -0.17 0.00 0.01 -0.04 1.64 1.44 2dc0B1 LEU 1157 HB3 -0.59 -0.07 0.08 -0.04 1.64 1.02 2dc0B1 LEU 1157 HG -0.26 0.03 0.01 -0.04 1.64 1.39 2dc0B1 LEU 1157 HD13 -0.45 -0.03 -0.04 -0.04 0.93 0.37 2dc0B1 LEU 1157 HD23 -0.84 0.05 -0.02 -0.04 0.89 0.04 2dc0B1 GLY 1158 H -0.00 0.31 -0.44 -0.55 8.43 7.76 2dc0B1 GLY 1158 HA2 0.04 0.11 0.25 -0.51 4.01 3.89 2dc0B1 GLY 1158 HA3 0.04 0.03 0.52 -0.51 4.01 4.09 2dc0B1 ILE 1159 H 0.06 0.66 -0.08 -0.55 8.25 8.33 2dc0B1 ILE 1159 HA 0.15 0.08 0.65 -0.75 4.18 4.30 2dc0B1 ILE 1159 HB 0.10 -0.07 0.14 -0.04 1.89 2.02 2dc0B1 ILE 1159 HG12 0.16 -0.05 -0.31 -0.04 1.49 1.25 2dc0B1 ILE 1159 HG13 0.10 0.09 -0.32 -0.04 1.21 1.04 2dc0B1 ILE 1159 HG23 0.23 -0.03 -0.12 -0.04 0.93 0.96 2dc0B1 ILE 1159 HD13 0.11 -0.01 -0.14 -0.04 0.88 0.80 2dc0B1 GLY 1160 H 0.12 0.27 -0.15 -0.55 8.43 8.13 2dc0B1 GLY 1160 HA2 0.26 -0.01 0.20 -0.51 4.01 3.95 2dc0B1 GLY 1160 HA3 0.36 0.06 0.53 -0.51 4.01 4.46 2dc0B1 LEU 1161 H 0.13 0.68 0.30 -0.55 8.37 8.93 2dc0B1 LEU 1161 HA 0.06 0.24 0.62 -0.75 4.35 4.53 2dc0B1 LEU 1161 HB2 0.08 0.03 0.04 -0.04 1.64 1.75 2dc0B1 LEU 1161 HB3 0.06 -0.21 -0.01 -0.04 1.64 1.45 2dc0B1 LEU 1161 HG 0.06 0.03 0.01 -0.04 1.64 1.69 2dc0B1 LEU 1161 HD13 0.05 -0.03 -0.07 -0.04 0.93 0.83 2dc0B1 LEU 1161 HD23 0.04 0.02 -0.16 -0.04 0.89 0.75 2dc0B1 ALA 1162 H 0.09 0.27 0.14 -0.55 8.40 8.35 2dc0B1 ALA 1162 HA 0.05 0.20 0.58 -0.75 4.34 4.41 2dc0B1 ALA 1162 HB3 0.05 -0.01 0.01 -0.04 1.41 1.42 2dc0B1 SER 1163 H 0.03 0.55 0.38 -0.55 8.46 8.87 2dc0B1 SER 1163 HA -0.02 0.27 0.87 -0.75 4.49 4.85 2dc0B1 SER 1163 HB2 0.01 0.11 -0.25 -0.04 3.95 3.78 2dc0B1 SER 1163 HB3 0.02 -0.02 -0.09 -0.04 3.93 3.80 2dc0B1 LEU 1164 H -0.05 0.37 0.33 -0.55 8.37 8.47 2dc0B1 LEU 1164 HA -0.06 0.23 1.01 -0.75 4.35 4.78 2dc0B1 LEU 1164 HB2 -0.19 0.03 -0.01 -0.04 1.64 1.43 2dc0B1 LEU 1164 HB3 -0.25 -0.05 0.23 -0.04 1.64 1.53 2dc0B1 LEU 1164 HG -0.76 0.00 -0.24 -0.04 1.64 0.61 2dc0B1 LEU 1164 HD13 -0.21 0.04 -0.07 -0.04 0.93 0.66 2dc0B1 LEU 1164 HD23 -0.86 -0.01 -0.12 -0.04 0.89 -0.14 2dc0B1 GLY 1165 H 0.05 0.75 0.32 -0.55 8.43 9.01 2dc0B1 GLY 1165 HA2 0.26 0.08 0.88 -0.51 4.01 4.72 2dc0B1 GLY 1165 HA3 0.11 0.03 0.32 -0.51 4.01 3.96 2dc0B1 THR 1166 H 0.12 0.19 0.13 -0.55 8.28 8.16 2dc0B1 THR 1166 HA 0.15 0.38 1.06 -0.75 4.39 5.23 2dc0B1 THR 1166 HB 0.06 0.01 0.03 -0.04 4.32 4.38 2dc0B1 THR 1166 HG23 0.01 0.01 -0.25 -0.04 1.22 0.95 2dc0B1 ASP 1167 H 0.11 0.71 0.25 -0.55 8.40 8.92 2dc0B1 ASP 1167 HA 0.04 -0.17 0.83 -0.75 4.63 4.58 2dc0B1 ASP 1167 HB2 0.00 0.07 -0.33 -0.04 2.71 2.41 2dc0B1 ASP 1167 HB3 -0.03 0.21 0.01 -0.04 2.70 2.85 2dc0B1 THR 1168 H 0.08 -0.15 0.23 -0.55 8.28 7.89 2dc0B1 THR 1168 HA 0.23 0.53 0.92 -0.75 4.39 5.31 2dc0B1 THR 1168 HB 0.14 -0.03 0.06 -0.04 4.32 4.45 2dc0B1 THR 1168 HG23 0.15 0.02 -0.16 -0.04 1.22 1.19 2dc0B1 GLY 1169 H 0.08 -0.21 0.23 -0.55 8.43 7.99 2dc0B1 GLY 1169 HA2 -0.15 0.29 0.81 -0.51 4.01 4.45 2dc0B1 GLY 1169 HA3 -0.03 0.04 0.29 -0.51 4.01 3.80 2dc0B1 GLY 1170 H 0.01 -0.30 0.14 -0.55 8.43 7.73 2dc0B1 GLY 1170 HA2 -0.02 0.09 0.23 -0.51 4.01 3.80 2dc0B1 GLY 1170 HA3 -0.02 0.34 0.86 -0.51 4.01 4.69 2dc0B1 SER 1171 H 0.01 -0.32 0.29 -0.55 8.46 7.90 2dc0B1 SER 1171 HA -0.04 0.59 0.58 -0.75 4.49 4.87 2dc0B1 SER 1171 HB2 0.03 -0.13 0.28 -0.04 3.95 4.09 2dc0B1 SER 1171 HB3 0.02 -0.03 0.31 -0.04 3.93 4.18 2dc0B1 ILE 1172 H -0.00 -0.17 -0.59 -0.55 8.25 6.93 2dc0B1 ILE 1172 HA 0.02 0.19 0.73 -0.75 4.18 4.37 2dc0B1 ILE 1172 HB -0.00 -0.09 -0.23 -0.04 1.89 1.53 2dc0B1 ILE 1172 HG12 0.04 0.06 -0.97 -0.04 1.49 0.58 2dc0B1 ILE 1172 HG13 0.04 0.09 -0.49 -0.04 1.21 0.80 2dc0B1 ILE 1172 HG23 0.03 0.06 -0.50 -0.04 0.93 0.48 2dc0B1 ILE 1172 HD13 0.06 -0.05 -0.24 -0.04 0.88 0.61 2dc0B1 ARG 1173 H -0.00 -0.09 -0.10 -0.55 8.46 7.71 2dc0B1 ARG 1173 HA 0.04 0.10 0.34 -0.75 4.34 4.06 2dc0B1 ARG 1173 HB2 0.02 -0.05 0.10 -0.04 1.90 1.92 2dc0B1 ARG 1173 HB3 0.04 0.06 -0.07 -0.04 1.80 1.79 2dc0B1 ARG 1173 HG2 0.03 0.09 -0.16 -0.04 1.67 1.59 2dc0B1 ARG 1173 HG3 -0.01 -0.12 -0.14 -0.04 1.67 1.37 2dc0B1 ARG 1173 HD2 0.03 0.05 -0.14 -0.04 3.22 3.11 2dc0B1 ARG 1173 HD3 -0.02 0.12 -0.17 -0.04 3.22 3.11 2dc0B1 ILE 1174 H -0.03 0.64 0.05 -0.55 8.25 8.36 2dc0B1 ILE 1174 HA -0.02 0.07 0.37 -0.75 4.18 3.85 2dc0B1 ILE 1174 HB -0.17 0.14 0.11 -0.04 1.89 1.92 2dc0B1 ILE 1174 HG12 0.03 0.15 0.13 -0.04 1.49 1.76 2dc0B1 ILE 1174 HG13 -0.01 -0.10 0.18 -0.04 1.21 1.23 2dc0B1 ILE 1174 HG23 -0.60 -0.02 -0.08 -0.04 0.93 0.19 2dc0B1 ILE 1174 HD13 -0.02 -0.05 -0.06 -0.04 0.88 0.72 2dc0B1 PRO 1175 HA -0.17 0.20 0.40 -0.51 4.44 4.36 2dc0B1 PRO 1175 HB2 -0.02 0.06 -0.24 -0.04 2.28 2.04 2dc0B1 PRO 1175 HB3 -0.09 -0.05 -0.31 -0.04 2.02 1.53 2dc0B1 PRO 1175 HG2 -0.02 0.23 -0.25 -0.04 2.03 1.95 2dc0B1 PRO 1175 HG3 -0.03 -0.08 -0.35 -0.04 2.03 1.53 2dc0B1 PRO 1175 HD2 -0.07 -0.06 -0.56 -0.04 3.68 2.95 2dc0B1 PRO 1175 HD3 -0.16 0.21 -0.09 -0.04 3.65 3.58 2dc0B1 ALA 1176 H 0.01 0.34 -0.60 -0.55 8.40 7.60 2dc0B1 ALA 1176 HA 0.05 -0.00 0.21 -0.75 4.34 3.84 2dc0B1 ALA 1176 HB3 0.06 0.08 -0.15 -0.04 1.41 1.36 2dc0B1 GLY 1177 H 0.09 0.54 -0.14 -0.55 8.43 8.38 2dc0B1 GLY 1177 HA2 0.14 -0.02 0.25 -0.51 4.01 3.86 2dc0B1 GLY 1177 HA3 0.19 -0.04 0.23 -0.51 4.01 3.89 2dc0B1 PHE 1178 H 0.35 0.62 -0.10 -0.55 8.34 8.65 2dc0B1 PHE 1178 HA 0.01 -0.03 0.39 -0.75 4.62 4.24 2dc0B1 PHE 1178 HB2 -0.00 0.07 0.08 -0.04 3.15 3.26 2dc0B1 PHE 1178 HB3 -0.01 0.04 -0.09 -0.04 3.06 2.95 2dc0B1 PHE 1178 HD2 -0.02 0.02 -0.28 -0.04 7.28 6.96 2dc0B1 PHE 1178 HE2 -0.09 -0.05 -0.05 -0.04 7.38 7.15 2dc0B1 PHE 1178 HZ -1.41 -0.08 -0.05 -0.04 7.32 5.74 2dc0B1 ASN 1179 H 0.15 0.46 -0.39 -0.55 8.53 8.20 2dc0B1 ASN 1179 HA 0.06 0.11 0.87 -0.75 4.76 5.04 2dc0B1 ASN 1179 HB2 0.06 0.11 -0.06 -0.04 2.88 2.94 2dc0B1 ASN 1179 HB3 0.03 -0.03 0.05 -0.04 2.79 2.79 2dc0B1 ASN 1179 HD21 0.09 0.08 0.10 -0.04 7.03 7.26 2dc0B1 ASN 1179 HD22 0.07 0.32 0.05 -0.04 7.74 8.13 2dc0B1 GLY 1180 H 0.08 0.32 -0.27 -0.55 8.43 8.01 2dc0B1 GLY 1180 HA2 0.05 -0.08 0.27 -0.51 4.01 3.74 2dc0B1 GLY 1180 HA3 0.02 0.04 0.45 -0.51 4.01 4.01 2dc0B1 VAL 1181 H 0.06 0.45 0.01 -0.55 8.24 8.21 2dc0B1 VAL 1181 HA 0.04 0.22 0.90 -0.75 4.13 4.53 2dc0B1 VAL 1181 HB 0.04 0.13 0.11 -0.04 2.12 2.35 2dc0B1 VAL 1181 HG13 0.02 0.04 -0.30 -0.04 0.97 0.69 2dc0B1 VAL 1181 HG23 0.04 -0.02 -0.20 -0.04 0.95 0.73 2dc0B1 VAL 1182 H 0.05 0.70 0.28 -0.55 8.24 8.72 2dc0B1 VAL 1182 HA 0.07 0.32 0.85 -0.75 4.13 4.63 2dc0B1 VAL 1182 HB 0.06 -0.13 -0.15 -0.04 2.12 1.86 2dc0B1 VAL 1182 HG13 0.08 -0.01 -0.26 -0.04 0.97 0.74 2dc0B1 VAL 1182 HG23 0.05 -0.03 -0.27 -0.04 0.95 0.66 2dc0B1 GLY 1183 H 0.09 0.65 0.28 -0.55 8.43 8.91 2dc0B1 GLY 1183 HA2 0.09 0.29 0.97 -0.51 4.01 4.85 2dc0B1 GLY 1183 HA3 0.07 0.01 0.17 -0.51 4.01 3.76 2dc0B1 PHE 1184 H 0.19 0.57 0.16 -0.55 8.34 8.71 2dc0B1 PHE 1184 HA 0.02 0.21 1.14 -0.75 4.62 5.23 2dc0B1 PHE 1184 HB2 0.04 -0.07 -0.11 -0.04 3.15 2.97 2dc0B1 PHE 1184 HB3 0.03 0.02 0.08 -0.04 3.06 3.14 2dc0B1 PHE 1184 HD2 0.02 0.01 -0.19 -0.04 7.28 7.08 2dc0B1 PHE 1184 HE2 0.02 -0.01 -0.22 -0.04 7.38 7.13 2dc0B1 PHE 1184 HZ 0.03 -0.12 -0.07 -0.04 7.32 7.12 2dc0B1 LYS 1185 H -0.35 0.75 0.19 -0.55 8.42 8.46 2dc0B1 LYS 1185 HA -0.25 0.14 0.71 -0.75 4.32 4.17 2dc0B1 LYS 1185 HB2 -0.16 -0.18 -0.08 -0.04 1.87 1.40 2dc0B1 LYS 1185 HB3 -0.25 0.05 0.19 -0.04 1.79 1.74 2dc0B1 LYS 1185 HG2 -0.37 0.28 -0.22 -0.04 1.46 1.11 2dc0B1 LYS 1185 HG3 -0.24 -0.11 -0.09 -0.04 1.46 0.97 2dc0B1 LYS 1185 HD2 -1.09 0.07 -0.12 -0.04 1.69 0.51 2dc0B1 LYS 1185 HD3 -0.29 -0.20 -0.16 -0.04 1.68 0.99 2dc0B1 LYS 1185 HE2 -0.23 -0.08 -0.47 -0.04 2.99 2.18 2dc0B1 LYS 1185 HE3 -0.22 -0.09 -0.08 -0.04 2.99 2.56 2dc0B1 PRO 1186 HA -0.64 -0.04 0.38 -0.51 4.44 3.62 2dc0B1 PRO 1186 HB2 -0.06 0.11 0.02 -0.04 2.28 2.30 2dc0B1 PRO 1186 HB3 0.03 -0.06 0.11 -0.04 2.02 2.06 2dc0B1 PRO 1186 HG2 -0.02 0.08 0.08 -0.04 2.03 2.13 2dc0B1 PRO 1186 HG3 -0.06 -0.03 -0.02 -0.04 2.03 1.88 2dc0B1 PRO 1186 HD2 -0.12 0.20 0.13 -0.04 3.68 3.85 2dc0B1 PRO 1186 HD3 -0.27 0.31 0.11 -0.04 3.65 3.76 2dc0B1 SER 1187 H -0.04 -0.03 0.15 -0.55 8.46 8.00 2dc0B1 SER 1187 HA -0.20 0.28 0.43 -0.75 4.49 4.24 2dc0B1 SER 1187 HB2 -0.04 -0.01 0.13 -0.04 3.95 3.99 2dc0B1 SER 1187 HB3 -0.41 0.13 0.20 -0.04 3.93 3.80 2dc0B1 TYR 1188 H -0.07 0.51 0.31 -0.55 8.29 8.49 2dc0B1 TYR 1188 HA -0.28 0.04 0.40 -0.75 4.56 3.98 2dc0B1 TYR 1188 HB2 -0.07 0.08 0.17 -0.04 3.06 3.20 2dc0B1 TYR 1188 HB3 0.09 -0.05 0.15 -0.04 2.98 3.13 2dc0B1 TYR 1188 HD2 -0.33 0.02 -0.19 -0.04 7.15 6.61 2dc0B1 TYR 1188 HE2 -0.06 -0.05 -0.12 -0.04 6.85 6.57 2dc0B1 GLY 1189 H -0.79 0.17 0.18 -0.55 8.43 7.44 2dc0B1 GLY 1189 HA2 -0.40 -0.02 0.31 -0.51 4.01 3.39 2dc0B1 GLY 1189 HA3 -0.15 0.09 0.43 -0.51 4.01 3.87 2dc0B1 ARG 1190 H -0.08 0.48 -0.51 -0.55 8.46 7.80 2dc0B1 ARG 1190 HA 0.00 0.03 0.36 -0.75 4.34 3.98 2dc0B1 ARG 1190 HB2 0.01 -0.06 0.07 -0.04 1.90 1.88 2dc0B1 ARG 1190 HB3 -0.02 0.03 0.10 -0.04 1.80 1.87 2dc0B1 ARG 1190 HG2 0.07 -0.10 -0.02 -0.04 1.67 1.57 2dc0B1 ARG 1190 HG3 0.02 0.06 -0.25 -0.04 1.67 1.46 2dc0B1 ARG 1190 HD2 0.05 0.02 -0.04 -0.04 3.22 3.20 2dc0B1 ARG 1190 HD3 0.04 0.06 0.04 -0.04 3.22 3.32 2dc0B1 VAL 1191 H -0.06 0.10 -0.07 -0.55 8.24 7.65 2dc0B1 VAL 1191 HA -0.03 0.25 0.73 -0.75 4.13 4.33 2dc0B1 VAL 1191 HB -0.02 -0.00 0.05 -0.04 2.12 2.11 2dc0B1 VAL 1191 HG13 -0.02 0.05 -0.19 -0.04 0.97 0.76 2dc0B1 VAL 1191 HG23 -0.00 -0.01 -0.16 -0.04 0.95 0.73 2dc0B1 SER 1192 H -0.02 0.27 0.12 -0.55 8.46 8.28 2dc0B1 SER 1192 HA -0.05 0.08 0.45 -0.75 4.49 4.22 2dc0B1 SER 1192 HB2 -0.02 0.15 0.11 -0.04 3.95 4.15 2dc0B1 SER 1192 HB3 -0.01 0.04 0.12 -0.04 3.93 4.04 2dc0B1 LEU 1193 H -0.04 0.19 0.17 -0.55 8.37 8.15 2dc0B1 LEU 1193 HA 0.12 0.18 0.74 -0.75 4.35 4.63 2dc0B1 LEU 1193 HB2 -0.05 0.04 0.06 -0.04 1.64 1.64 2dc0B1 LEU 1193 HB3 -0.02 0.00 0.07 -0.04 1.64 1.65 2dc0B1 LEU 1193 HG 0.01 0.07 -0.22 -0.04 1.64 1.45 2dc0B1 LEU 1193 HD13 -0.06 -0.02 -0.31 -0.04 0.93 0.50 2dc0B1 LEU 1193 HD23 0.08 0.01 -0.16 -0.04 0.89 0.77 2dc0B1 GLU 1194 H 0.01 0.03 -0.19 -0.55 8.60 7.91 2dc0B1 GLU 1194 HA 0.00 0.10 0.48 -0.75 4.29 4.13 2dc0B1 GLU 1194 HB2 -0.00 0.04 0.13 -0.04 2.09 2.22 2dc0B1 GLU 1194 HB3 0.01 -0.06 0.12 -0.04 1.99 2.02 2dc0B1 GLU 1194 HG2 0.01 0.03 -0.13 -0.04 2.34 2.21 2dc0B1 GLU 1194 HG3 0.00 0.03 0.07 -0.04 2.34 2.40 2dc0B1 GLY 1195 H -0.00 0.20 0.21 -0.55 8.43 8.29 2dc0B1 GLY 1195 HA2 0.00 0.04 0.38 -0.51 4.01 3.92 2dc0B1 GLY 1195 HA3 0.02 0.01 0.55 -0.51 4.01 4.08 2dc0B1 ALA 1196 H -0.00 0.33 -0.42 -0.55 8.40 7.76 2dc0B1 ALA 1196 HA -0.08 0.20 0.83 -0.75 4.34 4.54 2dc0B1 ALA 1196 HB3 -0.25 -0.00 -0.07 -0.04 1.41 1.04 2dc0B1 LEU 1197 H -0.16 0.54 0.23 -0.55 8.37 8.44 2dc0B1 LEU 1197 HA -0.06 0.11 0.45 -0.75 4.35 4.09 2dc0B1 LEU 1197 HB2 -0.04 0.03 0.13 -0.04 1.64 1.71 2dc0B1 LEU 1197 HB3 -0.08 -0.13 0.16 -0.04 1.64 1.55 2dc0B1 LEU 1197 HG 0.03 0.19 -0.19 -0.04 1.64 1.63 2dc0B1 LEU 1197 HD13 -0.01 0.00 0.04 -0.04 0.93 0.92 2dc0B1 LEU 1197 HD23 0.12 -0.04 -0.03 -0.04 0.89 0.90 2dc0B1 PRO 1198 HA -0.04 0.03 0.48 -0.51 4.44 4.40 2dc0B1 PRO 1198 HB2 -0.06 0.04 -0.07 -0.04 2.28 2.14 2dc0B1 PRO 1198 HB3 -0.03 -0.11 -0.00 -0.04 2.02 1.85 2dc0B1 PRO 1198 HG2 -0.05 -0.01 0.06 -0.04 2.03 1.99 2dc0B1 PRO 1198 HG3 -0.04 0.12 0.03 -0.04 2.03 2.09 2dc0B1 PRO 1198 HD2 -0.09 0.07 0.20 -0.04 3.68 3.83 2dc0B1 PRO 1198 HD3 -0.06 0.28 0.33 -0.04 3.65 4.16 2dc0B1 LEU 1199 H 0.00 -0.04 -0.07 -0.55 8.37 7.71 2dc0B1 LEU 1199 HA 0.06 0.27 0.73 -0.75 4.35 4.64 2dc0B1 LEU 1199 HB2 0.04 0.16 -0.08 -0.04 1.64 1.72 2dc0B1 LEU 1199 HB3 0.03 -0.22 0.10 -0.04 1.64 1.52 2dc0B1 LEU 1199 HG 0.02 -0.05 -0.22 -0.04 1.64 1.35 2dc0B1 LEU 1199 HD13 0.05 0.07 -0.01 -0.04 0.93 1.00 2dc0B1 LEU 1199 HD23 0.04 -0.02 -0.09 -0.04 0.89 0.78 2dc0B1 SER 1200 H 0.03 0.17 0.03 -0.55 8.46 8.15 2dc0B1 SER 1200 HA 0.01 0.21 0.82 -0.75 4.49 4.78 2dc0B1 SER 1200 HB2 -0.02 0.09 -0.01 -0.04 3.95 3.97 2dc0B1 SER 1200 HB3 0.04 -0.02 0.13 -0.04 3.93 4.04 2dc0B1 ARG 1201 H 0.02 0.29 -0.01 -0.55 8.46 8.21 2dc0B1 ARG 1201 HA 0.06 0.06 0.36 -0.75 4.34 4.06 2dc0B1 ARG 1201 HB2 0.04 -0.01 0.11 -0.04 1.90 2.00 2dc0B1 ARG 1201 HB3 0.07 0.07 -0.03 -0.04 1.80 1.86 2dc0B1 ARG 1201 HG2 0.01 0.02 0.03 -0.04 1.67 1.69 2dc0B1 ARG 1201 HG3 -0.00 0.02 0.01 -0.04 1.67 1.66 2dc0B1 ARG 1201 HD2 -0.01 0.05 0.01 -0.04 3.22 3.23 2dc0B1 ARG 1201 HD3 0.01 0.00 0.01 -0.04 3.22 3.20 2dc0B1 SER 1202 H 0.06 0.06 -0.20 -0.55 8.46 7.84 2dc0B1 SER 1202 HA 0.01 0.18 0.59 -0.75 4.49 4.52 2dc0B1 SER 1202 HB2 -0.09 0.06 0.15 -0.04 3.95 4.03 2dc0B1 SER 1202 HB3 0.03 -0.06 0.06 -0.04 3.93 3.93 2dc0B1 THR 1203 H 0.10 0.25 -0.39 -0.55 8.28 7.69 2dc0B1 THR 1203 HA 0.06 0.32 0.91 -0.75 4.39 4.93 2dc0B1 THR 1203 HB 0.10 -0.12 -0.01 -0.04 4.32 4.24 2dc0B1 THR 1203 HG23 0.23 0.03 -0.00 -0.04 1.22 1.44 2dc0B1 ASP 1204 H 0.16 0.30 0.18 -0.55 8.40 8.48 2dc0B1 ASP 1204 HA 0.18 -0.04 0.45 -0.75 4.63 4.46 2dc0B1 ASP 1204 HB2 0.05 0.05 0.04 -0.04 2.71 2.82 2dc0B1 ASP 1204 HB3 0.04 0.02 -0.09 -0.04 2.70 2.62 2dc0B1 HIS 1205 H 0.21 0.10 0.22 -0.55 8.41 8.39 2dc0B1 HIS 1205 HA -0.04 0.13 0.84 -0.75 4.63 4.80 2dc0B1 HIS 1205 HB2 0.01 -0.10 0.14 -0.04 3.26 3.27 2dc0B1 HIS 1205 HB3 -0.04 0.07 -0.06 -0.04 3.20 3.12 2dc0B1 HIS 1205 HD2 -0.04 0.25 -0.31 -0.04 6.97 6.82 2dc0B1 HIS 1205 HE1 0.14 0.37 0.15 -0.04 7.75 8.37 2dc0B1 ALA 1206 H 0.03 0.22 0.13 -0.55 8.40 8.23 2dc0B1 ALA 1206 HA 0.21 0.20 0.90 -0.75 4.34 4.90 2dc0B1 ALA 1206 HB3 0.13 -0.01 -0.06 -0.04 1.41 1.43 2dc0B1 GLY 1207 H 0.08 0.56 0.27 -0.55 8.43 8.79 2dc0B1 GLY 1207 HA2 0.02 0.08 0.58 -0.51 4.01 4.18 2dc0B1 GLY 1207 HA3 0.01 0.22 0.33 -0.51 4.01 4.05 2dc0B1 PRO 1208 HA 0.02 0.26 0.97 -0.51 4.44 5.18 2dc0B1 PRO 1208 HB2 0.06 0.01 -0.07 -0.04 2.28 2.24 2dc0B1 PRO 1208 HB3 0.02 0.01 0.00 -0.04 2.02 2.01 2dc0B1 PRO 1208 HG2 0.16 -0.09 0.08 -0.04 2.03 2.14 2dc0B1 PRO 1208 HG3 0.12 0.08 0.06 -0.04 2.03 2.25 2dc0B1 PRO 1208 HD2 0.15 0.28 0.29 -0.04 3.68 4.36 2dc0B1 PRO 1208 HD3 0.08 0.11 0.13 -0.04 3.65 3.92 2dc0B1 LEU 1209 H 0.04 0.62 0.37 -0.55 8.37 8.85 2dc0B1 LEU 1209 HA 0.06 0.31 0.93 -0.75 4.35 4.90 2dc0B1 LEU 1209 HB2 0.04 -0.09 0.01 -0.04 1.64 1.55 2dc0B1 LEU 1209 HB3 0.04 0.10 -0.12 -0.04 1.64 1.62 2dc0B1 LEU 1209 HG 0.05 -0.06 -0.32 -0.04 1.64 1.27 2dc0B1 LEU 1209 HD13 0.03 -0.02 -0.26 -0.04 0.93 0.64 2dc0B1 LEU 1209 HD23 0.04 0.06 -0.10 -0.04 0.89 0.85 2dc0B1 THR 1210 H 0.06 0.79 0.30 -0.55 8.28 8.88 2dc0B1 THR 1210 HA 0.05 0.25 0.93 -0.75 4.39 4.87 2dc0B1 THR 1210 HB 0.06 -0.24 0.20 -0.04 4.32 4.31 2dc0B1 THR 1210 HG23 0.07 -0.01 -0.41 -0.04 1.22 0.83 2dc0B1 ARG 1211 H 0.05 0.11 0.26 -0.55 8.46 8.32 2dc0B1 ARG 1211 HA 0.03 0.24 0.80 -0.75 4.34 4.66 2dc0B1 ARG 1211 HB2 0.03 -0.17 0.12 -0.04 1.90 1.84 2dc0B1 ARG 1211 HB3 0.02 0.06 0.14 -0.04 1.80 1.99 2dc0B1 ARG 1211 HG2 0.02 0.14 -0.02 -0.04 1.67 1.77 2dc0B1 ARG 1211 HG3 0.04 -0.08 -0.00 -0.04 1.67 1.58 2dc0B1 ARG 1211 HD2 0.03 0.15 0.09 -0.04 3.22 3.45 2dc0B1 ARG 1211 HD3 0.03 -0.07 0.12 -0.04 3.22 3.26 2dc0B1 SER 1212 H 0.05 0.08 0.01 -0.55 8.46 8.05 2dc0B1 SER 1212 HA 0.03 0.31 0.61 -0.75 4.49 4.69 2dc0B1 SER 1212 HB2 0.02 -0.01 0.12 -0.04 3.95 4.04 2dc0B1 SER 1212 HB3 0.02 0.26 -0.16 -0.04 3.93 4.01 2dc0B1 VAL 1213 H 0.03 0.31 0.11 -0.55 8.24 8.14 2dc0B1 VAL 1213 HA 0.02 0.12 0.41 -0.75 4.13 3.94 2dc0B1 VAL 1213 HB 0.02 0.01 0.06 -0.04 2.12 2.17 2dc0B1 VAL 1213 HG13 -0.02 0.01 -0.12 -0.04 0.97 0.81 2dc0B1 VAL 1213 HG23 0.03 0.05 -0.17 -0.04 0.95 0.83 2dc0B1 ARG 1214 H 0.03 0.16 -0.08 -0.55 8.46 8.02 2dc0B1 ARG 1214 HA 0.08 0.14 0.38 -0.75 4.34 4.18 2dc0B1 ARG 1214 HB2 0.03 0.06 0.04 -0.04 1.90 1.99 2dc0B1 ARG 1214 HB3 0.02 0.09 0.08 -0.04 1.80 1.95 2dc0B1 ARG 1214 HG2 0.02 -0.08 0.01 -0.04 1.67 1.58 2dc0B1 ARG 1214 HG3 0.01 -0.05 -0.17 -0.04 1.67 1.43 2dc0B1 ARG 1214 HD2 -0.02 0.05 -0.04 -0.04 3.22 3.18 2dc0B1 ARG 1214 HD3 -0.00 0.09 -0.01 -0.04 3.22 3.25 2dc0B1 ASP 1215 H 0.06 0.10 -0.42 -0.55 8.40 7.60 2dc0B1 ASP 1215 HA 0.18 0.05 0.45 -0.75 4.63 4.56 2dc0B1 ASP 1215 HB2 0.07 0.09 0.15 -0.04 2.71 2.98 2dc0B1 ASP 1215 HB3 0.11 0.10 0.02 -0.04 2.70 2.89 2dc0B1 ALA 1216 H 0.07 0.33 -0.24 -0.55 8.40 8.02 2dc0B1 ALA 1216 HA 0.08 0.04 0.35 -0.75 4.34 4.05 2dc0B1 ALA 1216 HB3 0.04 0.04 0.01 -0.04 1.41 1.46 2dc0B1 HIS 1217 H 0.11 0.49 -0.17 -0.55 8.41 8.30 2dc0B1 HIS 1217 HA -0.08 0.05 0.41 -0.75 4.63 4.25 2dc0B1 HIS 1217 HB2 -0.07 -0.00 0.04 -0.04 3.26 3.19 2dc0B1 HIS 1217 HB3 0.02 0.04 0.15 -0.04 3.20 3.37 2dc0B1 HIS 1217 HD2 -0.03 -0.03 -0.02 -0.04 6.97 6.84 2dc0B1 HIS 1217 HE1 0.06 -0.05 -0.08 -0.04 7.75 7.64 2dc0B1 PHE 1218 H 0.24 0.59 -0.07 -0.55 8.34 8.54 2dc0B1 PHE 1218 HA -0.19 0.02 0.38 -0.75 4.62 4.08 2dc0B1 PHE 1218 HB2 0.04 0.03 0.12 -0.04 3.15 3.30 2dc0B1 PHE 1218 HB3 0.01 -0.01 0.19 -0.04 3.06 3.21 2dc0B1 PHE 1218 HD2 -0.00 -0.04 -0.03 -0.04 7.28 7.17 2dc0B1 PHE 1218 HE2 0.01 0.02 -0.09 -0.04 7.38 7.28 2dc0B1 PHE 1218 HZ 0.01 0.20 -0.08 -0.04 7.32 7.41 2dc0B1 LEU 1219 H 0.06 0.68 -0.14 -0.55 8.37 8.42 2dc0B1 LEU 1219 HA -0.31 0.02 0.39 -0.75 4.35 3.69 2dc0B1 LEU 1219 HB2 0.03 0.16 0.12 -0.04 1.64 1.91 2dc0B1 LEU 1219 HB3 -0.00 0.03 -0.01 -0.04 1.64 1.63 2dc0B1 LEU 1219 HG -0.06 -0.02 -0.08 -0.04 1.64 1.44 2dc0B1 LEU 1219 HD13 -0.09 -0.01 -0.06 -0.04 0.93 0.72 2dc0B1 LEU 1219 HD23 0.02 -0.02 -0.09 -0.04 0.89 0.76 2dc0B1 THR 1220 H -0.04 0.54 -0.26 -0.55 8.28 7.97 2dc0B1 THR 1220 HA 0.01 0.00 0.44 -0.75 4.39 4.08 2dc0B1 THR 1220 HB 0.02 0.09 0.13 -0.04 4.32 4.52 2dc0B1 THR 1220 HG23 0.19 -0.02 -0.08 -0.04 1.22 1.26 2dc0B1 GLU 1221 H -0.20 0.47 -0.23 -0.55 8.60 8.10 2dc0B1 GLU 1221 HA -0.07 0.14 0.44 -0.75 4.29 4.04 2dc0B1 GLU 1221 HB2 -0.20 0.12 0.12 -0.04 2.09 2.09 2dc0B1 GLU 1221 HB3 -0.09 -0.02 -0.02 -0.04 1.99 1.82 2dc0B1 GLU 1221 HG2 -0.14 -0.07 0.12 -0.04 2.34 2.21 2dc0B1 GLU 1221 HG3 -0.51 0.32 0.10 -0.04 2.34 2.21 2dc0B1 ILE 1222 H -0.24 0.34 -0.21 -0.55 8.25 7.59 2dc0B1 ILE 1222 HA -0.12 0.04 0.41 -0.75 4.18 3.75 2dc0B1 ILE 1222 HB -0.25 0.07 0.09 -0.04 1.89 1.76 2dc0B1 ILE 1222 HG12 -0.24 -0.02 -0.02 -0.04 1.49 1.17 2dc0B1 ILE 1222 HG13 -0.42 0.07 0.04 -0.04 1.21 0.85 2dc0B1 ILE 1222 HG23 -0.13 -0.02 -0.17 -0.04 0.93 0.57 2dc0B1 ILE 1222 HD13 -0.78 -0.03 -0.13 -0.04 0.88 -0.09 2dc0B1 LEU 1223 H -0.11 0.59 -0.12 -0.55 8.37 8.19 2dc0B1 LEU 1223 HA -0.08 0.01 0.40 -0.75 4.35 3.93 2dc0B1 LEU 1223 HB2 -0.05 0.07 0.13 -0.04 1.64 1.76 2dc0B1 LEU 1223 HB3 -0.05 -0.09 -0.03 -0.04 1.64 1.43 2dc0B1 LEU 1223 HG -0.09 0.07 -0.01 -0.04 1.64 1.56 2dc0B1 LEU 1223 HD13 -0.05 -0.03 -0.19 -0.04 0.93 0.62 2dc0B1 LEU 1223 HD23 -0.12 -0.02 -0.05 -0.04 0.89 0.65 2dc0B1 ALA 1224 H -0.05 0.51 -0.27 -0.55 8.40 8.05 2dc0B1 ALA 1224 HA -0.02 0.09 0.69 -0.75 4.34 4.35 2dc0B1 ALA 1224 HB3 -0.00 -0.03 0.04 -0.04 1.41 1.38 2dc0B1 GLY 1225 H -0.05 0.29 -0.32 -0.55 8.43 7.81 2dc0B1 GLY 1225 HA2 -0.03 0.00 0.32 -0.51 4.01 3.79 2dc0B1 GLY 1225 HA3 -0.02 0.00 0.46 -0.51 4.01 3.94 2dc0B1 GLU 1226 H -0.02 0.43 -0.02 -0.55 8.60 8.44 2dc0B1 GLU 1226 HA 0.00 0.05 0.62 -0.75 4.29 4.21 2dc0B1 GLU 1226 HB2 0.02 -0.05 0.07 -0.04 2.09 2.08 2dc0B1 GLU 1226 HB3 0.01 0.12 -0.24 -0.04 1.99 1.84 2dc0B1 GLU 1226 HG2 0.01 -0.01 -0.20 -0.04 2.34 2.09 2dc0B1 GLU 1226 HG3 0.02 -0.00 -0.37 -0.04 2.34 1.95 2dc0B1 SER 1227 H 0.02 0.11 0.13 -0.55 8.46 8.17 2dc0B1 SER 1227 HA 0.01 0.08 0.57 -0.75 4.49 4.39 2dc0B1 SER 1227 HB2 0.06 -0.02 -0.00 -0.04 3.95 3.94 2dc0B1 SER 1227 HB3 0.03 0.02 0.06 -0.04 3.93 4.00 2dc0B1 ILE 1228 H 0.08 0.16 0.03 -0.55 8.25 7.96 2dc0B1 ILE 1228 HA 0.08 0.20 0.83 -0.75 4.18 4.54 2dc0B1 ILE 1228 HB 0.13 -0.01 0.13 -0.04 1.89 2.09 2dc0B1 ILE 1228 HG12 0.07 0.03 -0.16 -0.04 1.49 1.38 2dc0B1 ILE 1228 HG13 0.03 0.07 -0.48 -0.04 1.21 0.79 2dc0B1 ILE 1228 HG23 0.12 -0.00 -0.09 -0.04 0.93 0.92 2dc0B1 ILE 1228 HD13 0.05 -0.01 -0.17 -0.04 0.88 0.71 2dc0B1 PRO 1229 HA 0.07 -0.01 0.38 -0.51 4.44 4.36 2dc0B1 PRO 1229 HB2 0.03 -0.01 -0.02 -0.04 2.28 2.24 2dc0B1 PRO 1229 HB3 0.03 0.05 0.00 -0.04 2.02 2.06 2dc0B1 PRO 1229 HG2 0.04 0.05 0.01 -0.04 2.03 2.08 2dc0B1 PRO 1229 HG3 0.05 0.02 -0.02 -0.04 2.03 2.04 2dc0B1 PRO 1229 HD2 0.06 0.10 0.12 -0.04 3.68 3.91 2dc0B1 PRO 1229 HD3 0.06 0.25 -0.39 -0.04 3.65 3.53 2dc0B1 LEU 1230 H -0.02 0.14 0.17 -0.55 8.37 8.12 2dc0B1 LEU 1230 HA -0.06 0.15 0.83 -0.75 4.35 4.52 2dc0B1 LEU 1230 HB2 -0.13 -0.05 0.12 -0.04 1.64 1.53 2dc0B1 LEU 1230 HB3 -0.12 0.08 0.00 -0.04 1.64 1.56 2dc0B1 LEU 1230 HG -0.63 0.06 -0.05 -0.04 1.64 0.98 2dc0B1 LEU 1230 HD13 -0.53 -0.02 -0.04 -0.04 0.93 0.30 2dc0B1 LEU 1230 HD23 -0.24 0.00 -0.02 -0.04 0.89 0.60 2dc0B1 GLU 1231 H -0.03 0.14 0.05 -0.55 8.60 8.22 2dc0B1 GLU 1231 HA -0.01 0.16 0.82 -0.75 4.29 4.50 2dc0B1 GLU 1231 HB2 -0.03 0.02 0.01 -0.04 2.09 2.05 2dc0B1 GLU 1231 HB3 -0.02 0.01 0.10 -0.04 1.99 2.04 2dc0B1 GLU 1231 HG2 -0.01 -0.04 -0.26 -0.04 2.34 1.99 2dc0B1 GLU 1231 HG3 -0.01 0.02 -0.06 -0.04 2.34 2.25 2dc0B1 GLY 1232 H -0.01 0.07 0.12 -0.55 8.43 8.06 2dc0B1 GLY 1232 HA2 0.01 0.09 0.48 -0.51 4.01 4.09 2dc0B1 GLY 1232 HA3 -0.00 0.01 0.28 -0.51 4.01 3.80 2dc0B1 VAL 1233 H 0.04 0.19 0.13 -0.55 8.24 8.05 2dc0B1 VAL 1233 HA -0.14 0.19 0.96 -0.75 4.13 4.38 2dc0B1 VAL 1233 HB 0.01 -0.01 0.08 -0.04 2.12 2.17 2dc0B1 VAL 1233 HG13 -0.73 0.00 -0.20 -0.04 0.97 0.01 2dc0B1 VAL 1233 HG23 -0.05 0.03 -0.34 -0.04 0.95 0.55 2dc0B1 GLN 1234 H -0.18 0.31 0.07 -0.55 8.47 8.11 2dc0B1 GLN 1234 HA -0.03 0.16 0.71 -0.75 4.36 4.44 2dc0B1 GLN 1234 HB2 0.01 0.02 0.06 -0.04 2.15 2.20 2dc0B1 GLN 1234 HB3 -0.00 -0.02 -0.23 -0.04 2.02 1.73 2dc0B1 GLN 1234 HG2 -0.06 -0.05 -0.05 -0.04 2.40 2.20 2dc0B1 GLN 1234 HG3 -0.06 0.08 -0.22 -0.04 2.39 2.14 2dc0B1 GLN 1234 HE21 -0.02 -0.03 -0.04 -0.04 6.97 6.84 2dc0B1 GLN 1234 HE22 -0.03 0.02 -0.06 -0.04 7.69 7.57 2dc0B1 ASN 1235 H -0.05 0.19 0.14 -0.55 8.53 8.26 2dc0B1 ASN 1235 HA -0.10 0.50 0.49 -0.75 4.76 4.90 2dc0B1 ASN 1235 HB2 -0.09 0.01 -0.09 -0.04 2.88 2.68 2dc0B1 ASN 1235 HB3 -0.08 -0.02 0.16 -0.04 2.79 2.81 2dc0B1 ASN 1235 HD21 0.03 -0.09 0.09 -0.04 7.03 7.01 2dc0B1 ASN 1235 HD22 0.02 0.57 0.25 -0.04 7.74 8.53 2dc0B1 PRO 1236 HA -0.47 0.04 0.46 -0.51 4.44 3.97 2dc0B1 PRO 1236 HB2 -1.28 0.02 -0.12 -0.04 2.28 0.87 2dc0B1 PRO 1236 HB3 -0.77 -0.02 -0.03 -0.04 2.02 1.16 2dc0B1 PRO 1236 HG2 -0.78 -0.01 -0.01 -0.04 2.03 1.19 2dc0B1 PRO 1236 HG3 -2.02 0.06 -0.09 -0.04 2.03 -0.06 2dc0B1 PRO 1236 HD2 -0.57 0.21 0.04 -0.04 3.68 3.32 2dc0B1 PRO 1236 HD3 -0.89 -0.00 -0.29 -0.04 3.65 2.42 2dc0B1 VAL 1237 H -0.44 0.10 0.23 -0.55 8.24 7.58 2dc0B1 VAL 1237 HA -0.23 0.20 0.98 -0.75 4.13 4.33 2dc0B1 VAL 1237 HB -0.18 -0.15 0.27 -0.04 2.12 2.03 2dc0B1 VAL 1237 HG13 -0.07 0.02 -0.12 -0.04 0.97 0.75 2dc0B1 VAL 1237 HG23 -0.14 0.04 0.00 -0.04 0.95 0.81 2dc0B1 PHE 1238 H -0.02 0.82 0.33 -0.55 8.34 8.92 2dc0B1 PHE 1238 HA -0.05 0.23 1.08 -0.75 4.62 5.13 2dc0B1 PHE 1238 HB2 -0.03 0.01 0.12 -0.04 3.15 3.21 2dc0B1 PHE 1238 HB3 -0.02 0.03 -0.07 -0.04 3.06 2.96 2dc0B1 PHE 1238 HD2 -0.04 0.07 -0.17 -0.04 7.28 7.10 2dc0B1 PHE 1238 HE2 -0.07 0.00 -0.17 -0.04 7.38 7.11 2dc0B1 PHE 1238 HZ -0.08 0.01 -0.13 -0.04 7.32 7.08 2dc0B1 GLY 1239 H 0.11 0.64 0.40 -0.55 8.43 9.04 2dc0B1 GLY 1239 HA2 0.06 0.38 0.88 -0.51 4.01 4.82 2dc0B1 GLY 1239 HA3 0.05 0.04 0.29 -0.51 4.01 3.88 2dc0B1 VAL 1240 H 0.07 0.51 0.38 -0.55 8.24 8.66 2dc0B1 VAL 1240 HA 0.14 0.35 1.03 -0.75 4.13 4.90 2dc0B1 VAL 1240 HB 0.09 -0.11 0.12 -0.04 2.12 2.18 2dc0B1 VAL 1240 HG13 0.28 0.00 -0.13 -0.04 0.97 1.08 2dc0B1 VAL 1240 HG23 0.07 0.05 -0.18 -0.04 0.95 0.84 2dc0B1 PRO 1241 HA 0.10 0.33 0.58 -0.51 4.44 4.94 2dc0B1 PRO 1241 HB2 0.19 -0.08 0.14 -0.04 2.28 2.49 2dc0B1 PRO 1241 HB3 0.08 0.07 -0.06 -0.04 2.02 2.07 2dc0B1 PRO 1241 HG2 0.22 -0.01 0.05 -0.04 2.03 2.25 2dc0B1 PRO 1241 HG3 0.13 0.10 -0.02 -0.04 2.03 2.19 2dc0B1 PRO 1241 HD2 0.14 0.36 0.20 -0.04 3.68 4.34 2dc0B1 PRO 1241 HD3 0.08 0.15 0.00 -0.04 3.65 3.85 2dc0B1 LEU 1242 H 0.10 0.50 0.16 -0.55 8.37 8.58 2dc0B1 LEU 1242 HA 0.12 0.07 0.30 -0.75 4.35 4.09 2dc0B1 LEU 1242 HB2 0.07 -0.01 0.14 -0.04 1.64 1.80 2dc0B1 LEU 1242 HB3 0.07 -0.01 0.01 -0.04 1.64 1.67 2dc0B1 LEU 1242 HG 0.09 0.12 0.08 -0.04 1.64 1.90 2dc0B1 LEU 1242 HD13 0.05 0.00 0.02 -0.04 0.93 0.96 2dc0B1 LEU 1242 HD23 0.14 0.00 -0.05 -0.04 0.89 0.94 2dc0B1 ASP 1243 H 0.09 0.15 -0.12 -0.55 8.40 7.97 2dc0B1 ASP 1243 HA 0.04 0.08 0.42 -0.75 4.63 4.41 2dc0B1 ASP 1243 HB2 0.05 0.04 0.02 -0.04 2.71 2.79 2dc0B1 ASP 1243 HB3 0.05 0.02 0.08 -0.04 2.70 2.81 2dc0B1 PHE 1244 H 0.22 0.08 -0.28 -0.55 8.34 7.81 2dc0B1 PHE 1244 HA 0.00 0.09 0.41 -0.75 4.62 4.36 2dc0B1 PHE 1244 HB2 0.03 0.21 0.11 -0.04 3.15 3.46 2dc0B1 PHE 1244 HB3 0.04 0.09 0.11 -0.04 3.06 3.26 2dc0B1 PHE 1244 HD2 0.02 0.07 -0.07 -0.04 7.28 7.26 2dc0B1 PHE 1244 HE2 -0.01 -0.02 -0.03 -0.04 7.38 7.28 2dc0B1 PHE 1244 HZ -0.08 0.27 -0.01 -0.04 7.32 7.46 2dc0B1 LEU 1245 H 0.10 0.32 -0.24 -0.55 8.37 8.00 2dc0B1 LEU 1245 HA -0.22 0.11 0.44 -0.75 4.35 3.93 2dc0B1 LEU 1245 HB2 0.05 0.04 0.02 -0.04 1.64 1.71 2dc0B1 LEU 1245 HB3 -0.04 -0.12 -0.01 -0.04 1.64 1.43 2dc0B1 LEU 1245 HG 0.18 0.11 -0.06 -0.04 1.64 1.82 2dc0B1 LEU 1245 HD13 -0.05 -0.02 -0.07 -0.04 0.93 0.75 2dc0B1 LEU 1245 HD23 -0.03 0.01 -0.09 -0.04 0.89 0.74 2dc0B1 GLU 1246 H -0.03 0.34 -0.31 -0.55 8.60 8.06 2dc0B1 GLU 1246 HA -0.02 -0.11 0.37 -0.75 4.29 3.77 2dc0B1 GLU 1246 HB2 -0.00 0.05 0.16 -0.04 2.09 2.26 2dc0B1 GLU 1246 HB3 -0.04 0.09 0.12 -0.04 1.99 2.12 2dc0B1 GLU 1246 HG2 -0.03 -0.01 -0.15 -0.04 2.34 2.11 2dc0B1 GLU 1246 HG3 -0.01 -0.06 0.03 -0.04 2.34 2.26 2dc0B1 GLY 1247 H -0.04 0.07 0.21 -0.55 8.43 8.12 2dc0B1 GLY 1247 HA2 -0.06 -0.07 0.32 -0.51 4.01 3.69 2dc0B1 GLY 1247 HA3 -0.07 0.09 0.38 -0.51 4.01 3.90 2dc0B1 ARG 1248 H -0.12 0.72 -0.25 -0.55 8.46 8.26 2dc0B1 ARG 1248 HA -0.16 0.13 0.85 -0.75 4.34 4.41 2dc0B1 ARG 1248 HB2 -0.24 0.08 0.00 -0.04 1.90 1.71 2dc0B1 ARG 1248 HB3 -0.23 -0.07 0.09 -0.04 1.80 1.55 2dc0B1 ARG 1248 HG2 -0.23 -0.10 -0.11 -0.04 1.67 1.18 2dc0B1 ARG 1248 HG3 -0.24 0.22 -0.27 -0.04 1.67 1.34 2dc0B1 ARG 1248 HD2 -0.76 0.19 0.02 -0.04 3.22 2.63 2dc0B1 ARG 1248 HD3 -0.44 -0.15 -0.06 -0.04 3.22 2.53 2dc0B1 LEU 1249 H -0.09 0.03 -0.03 -0.55 8.37 7.73 2dc0B1 LEU 1249 HA -0.11 0.24 1.03 -0.75 4.35 4.75 2dc0B1 LEU 1249 HB2 -0.03 -0.07 0.02 -0.04 1.64 1.52 2dc0B1 LEU 1249 HB3 -0.03 0.01 0.08 -0.04 1.64 1.66 2dc0B1 LEU 1249 HG -0.10 0.02 -0.13 -0.04 1.64 1.39 2dc0B1 LEU 1249 HD13 -0.09 -0.00 -0.08 -0.04 0.93 0.71 2dc0B1 LEU 1249 HD23 -0.12 0.06 -0.12 -0.04 0.89 0.67 2dc0B1 GLY 1250 H -0.06 0.49 0.37 -0.55 8.43 8.68 2dc0B1 GLY 1250 HA2 -0.05 0.03 0.76 -0.51 4.01 4.24 2dc0B1 GLY 1250 HA3 -0.05 0.18 0.46 -0.51 4.01 4.10 2dc0B1 VAL 1251 H -0.02 0.23 0.12 -0.55 8.24 8.02 2dc0B1 VAL 1251 HA 0.00 0.10 0.36 -0.75 4.13 3.83 2dc0B1 VAL 1251 HB -0.01 -0.02 0.11 -0.04 2.12 2.17 2dc0B1 VAL 1251 HG13 0.00 0.02 -0.08 -0.04 0.97 0.87 2dc0B1 VAL 1251 HG23 -0.01 0.03 0.04 -0.04 0.95 0.96 2dc0B1 GLU 1252 H -0.00 0.13 -0.09 -0.55 8.60 8.08 2dc0B1 GLU 1252 HA 0.01 0.11 0.51 -0.75 4.29 4.17 2dc0B1 GLU 1252 HB2 -0.01 0.02 0.08 -0.04 2.09 2.14 2dc0B1 GLU 1252 HB3 -0.01 0.05 -0.01 -0.04 1.99 1.98 2dc0B1 GLU 1252 HG2 -0.01 -0.04 0.04 -0.04 2.34 2.29 2dc0B1 GLU 1252 HG3 -0.01 0.06 0.01 -0.04 2.34 2.36 2dc0B1 VAL 1253 H 0.01 0.15 -0.15 -0.55 8.24 7.71 2dc0B1 VAL 1253 HA 0.08 0.06 0.38 -0.75 4.13 3.90 2dc0B1 VAL 1253 HB 0.02 0.05 0.15 -0.04 2.12 2.29 2dc0B1 VAL 1253 HG13 0.11 0.06 -0.05 -0.04 0.97 1.05 2dc0B1 VAL 1253 HG23 0.03 -0.04 -0.33 -0.04 0.95 0.58 2dc0B1 ARG 1254 H 0.04 0.52 -0.28 -0.55 8.46 8.19 2dc0B1 ARG 1254 HA 0.14 0.02 0.32 -0.75 4.34 4.07 2dc0B1 ARG 1254 HB2 0.03 0.06 -0.02 -0.04 1.90 1.93 2dc0B1 ARG 1254 HB3 0.04 0.17 0.10 -0.04 1.80 2.07 2dc0B1 ARG 1254 HG2 0.04 -0.01 -0.06 -0.04 1.67 1.61 2dc0B1 ARG 1254 HG3 0.09 -0.04 -0.08 -0.04 1.67 1.61 2dc0B1 ARG 1254 HD2 0.04 -0.01 -0.03 -0.04 3.22 3.19 2dc0B1 ARG 1254 HD3 0.03 -0.04 -0.03 -0.04 3.22 3.14 2dc0B1 LYS 1255 H 0.06 0.37 -0.21 -0.55 8.42 8.09 2dc0B1 LYS 1255 HA 0.06 0.03 0.44 -0.75 4.32 4.09 2dc0B1 LYS 1255 HB2 0.03 0.10 0.16 -0.04 1.87 2.13 2dc0B1 LYS 1255 HB3 0.03 -0.02 0.01 -0.04 1.79 1.77 2dc0B1 LYS 1255 HG2 0.03 -0.04 0.04 -0.04 1.46 1.44 2dc0B1 LYS 1255 HG3 0.03 0.25 0.13 -0.04 1.46 1.82 2dc0B1 LYS 1255 HD2 0.01 -0.03 -0.01 -0.04 1.69 1.62 2dc0B1 LYS 1255 HD3 0.01 -0.02 0.01 -0.04 1.68 1.64 2dc0B1 LYS 1255 HE2 0.01 0.02 -0.01 -0.04 2.99 2.98 2dc0B1 LYS 1255 HE3 0.01 -0.01 0.01 -0.04 2.99 2.96 2dc0B1 ALA 1256 H 0.09 0.49 -0.12 -0.55 8.40 8.32 2dc0B1 ALA 1256 HA 0.08 0.04 0.45 -0.75 4.34 4.16 2dc0B1 ALA 1256 HB3 0.01 0.02 0.05 -0.04 1.41 1.44 2dc0B1 PHE 1257 H 0.37 0.70 -0.13 -0.55 8.34 8.72 2dc0B1 PHE 1257 HA 0.17 0.04 0.37 -0.75 4.62 4.44 2dc0B1 PHE 1257 HB2 0.14 0.04 0.07 -0.04 3.15 3.35 2dc0B1 PHE 1257 HB3 0.06 0.06 0.10 -0.04 3.06 3.24 2dc0B1 PHE 1257 HD2 -0.18 -0.00 -0.09 -0.04 7.28 6.98 2dc0B1 PHE 1257 HE2 -0.11 -0.02 -0.17 -0.04 7.38 7.03 2dc0B1 PHE 1257 HZ -0.05 0.22 -0.15 -0.04 7.32 7.30 2dc0B1 THR 1258 H 0.15 0.60 -0.14 -0.55 8.28 8.34 2dc0B1 THR 1258 HA -0.13 -0.00 0.39 -0.75 4.39 3.90 2dc0B1 THR 1258 HB 0.04 0.08 0.15 -0.04 4.32 4.55 2dc0B1 THR 1258 HG23 -0.00 -0.02 -0.08 -0.04 1.22 1.07 2dc0B1 ARG 1259 H 0.05 0.58 -0.23 -0.55 8.46 8.31 2dc0B1 ARG 1259 HA 0.00 -0.02 0.39 -0.75 4.34 3.96 2dc0B1 ARG 1259 HB2 0.03 0.04 0.14 -0.04 1.90 2.07 2dc0B1 ARG 1259 HB3 0.06 0.15 0.16 -0.04 1.80 2.13 2dc0B1 ARG 1259 HG2 0.02 -0.01 -0.10 -0.04 1.67 1.54 2dc0B1 ARG 1259 HG3 0.01 -0.06 0.03 -0.04 1.67 1.62 2dc0B1 ARG 1259 HD2 0.02 -0.04 0.00 -0.04 3.22 3.15 2dc0B1 ARG 1259 HD3 0.03 0.05 -0.02 -0.04 3.22 3.24 2dc0B1 LEU 1260 H 0.05 0.50 -0.24 -0.55 8.37 8.13 2dc0B1 LEU 1260 HA 0.03 0.03 0.39 -0.75 4.35 4.05 2dc0B1 LEU 1260 HB2 0.22 0.03 0.07 -0.04 1.64 1.91 2dc0B1 LEU 1260 HB3 -0.11 0.15 0.17 -0.04 1.64 1.81 2dc0B1 LEU 1260 HG -0.16 -0.02 -0.34 -0.04 1.64 1.08 2dc0B1 LEU 1260 HD13 0.03 -0.00 -0.04 -0.04 0.93 0.88 2dc0B1 LEU 1260 HD23 -0.25 -0.01 -0.11 -0.04 0.89 0.48 2dc0B1 LEU 1261 H -0.26 0.52 -0.13 -0.55 8.37 7.95 2dc0B1 LEU 1261 HA -0.15 0.01 0.34 -0.75 4.35 3.80 2dc0B1 LEU 1261 HB2 -0.19 0.11 0.10 -0.04 1.64 1.62 2dc0B1 LEU 1261 HB3 -0.15 -0.07 0.02 -0.04 1.64 1.40 2dc0B1 LEU 1261 HG -0.88 0.31 0.05 -0.04 1.64 1.08 2dc0B1 LEU 1261 HD13 -0.37 -0.04 -0.06 -0.04 0.93 0.42 2dc0B1 LEU 1261 HD23 -0.41 -0.02 -0.09 -0.04 0.89 0.33 2dc0B1 GLU 1262 H -0.06 0.42 -0.34 -0.55 8.60 8.08 2dc0B1 GLU 1262 HA -0.02 0.01 0.49 -0.75 4.29 4.02 2dc0B1 GLU 1262 HB2 -0.01 0.13 0.12 -0.04 2.09 2.29 2dc0B1 GLU 1262 HB3 -0.01 -0.09 0.07 -0.04 1.99 1.92 2dc0B1 GLU 1262 HG2 -0.02 -0.09 0.01 -0.04 2.34 2.20 2dc0B1 GLU 1262 HG3 -0.03 0.53 0.10 -0.04 2.34 2.89 2dc0B1 ASP 1263 H -0.01 0.46 -0.18 -0.55 8.40 8.12 2dc0B1 ASP 1263 HA 0.02 0.03 0.67 -0.75 4.63 4.59 2dc0B1 ASP 1263 HB2 0.02 0.11 0.10 -0.04 2.71 2.89 2dc0B1 ASP 1263 HB3 0.02 -0.06 0.08 -0.04 2.70 2.69 2dc0B1 LEU 1264 H 0.02 0.36 -0.25 -0.55 8.37 7.96 2dc0B1 LEU 1264 HA 0.13 0.02 0.33 -0.75 4.35 4.08 2dc0B1 LEU 1264 HB2 0.05 0.18 0.03 -0.04 1.64 1.85 2dc0B1 LEU 1264 HB3 0.16 -0.09 -0.22 -0.04 1.64 1.46 2dc0B1 LEU 1264 HG 0.00 0.25 -0.06 -0.04 1.64 1.80 2dc0B1 LEU 1264 HD13 -0.04 -0.03 -0.15 -0.04 0.93 0.68 2dc0B1 LEU 1264 HD23 0.20 -0.02 -0.09 -0.04 0.89 0.94 2dc0B1 PRO 1265 HA 0.07 0.33 0.51 -0.51 4.44 4.83 2dc0B1 PRO 1265 HB2 0.03 0.00 0.08 -0.04 2.28 2.35 2dc0B1 PRO 1265 HB3 0.03 -0.02 0.10 -0.04 2.02 2.09 2dc0B1 PRO 1265 HG2 0.02 0.02 0.09 -0.04 2.03 2.12 2dc0B1 PRO 1265 HG3 0.03 -0.03 0.07 -0.04 2.03 2.07 2dc0B1 PRO 1265 HD2 0.03 0.32 -0.37 -0.04 3.68 3.62 2dc0B1 PRO 1265 HD3 0.03 0.27 0.03 -0.04 3.65 3.93 2dc0B1 ALA 1266 H 0.04 0.26 -0.22 -0.55 8.40 7.94 2dc0B1 ALA 1266 HA 0.04 -0.00 0.42 -0.75 4.34 4.05 2dc0B1 ALA 1266 HB3 0.02 0.03 0.11 -0.04 1.41 1.53 2dc0B1 LEU 1267 H 0.09 0.33 -0.39 -0.55 8.37 7.85 2dc0B1 LEU 1267 HA 0.04 0.05 0.57 -0.75 4.35 4.25 2dc0B1 LEU 1267 HB2 0.21 0.08 0.11 -0.04 1.64 2.00 2dc0B1 LEU 1267 HB3 0.04 -0.05 0.13 -0.04 1.64 1.72 2dc0B1 LEU 1267 HG 0.03 0.12 -0.01 -0.04 1.64 1.73 2dc0B1 LEU 1267 HD13 -0.00 -0.02 -0.07 -0.04 0.93 0.80 2dc0B1 LEU 1267 HD23 -0.09 -0.01 0.01 -0.04 0.89 0.77 2dc0B1 ARG 1268 H 0.12 0.45 -0.58 -0.55 8.46 7.89 2dc0B1 ARG 1268 HA 0.10 0.08 0.34 -0.75 4.34 4.09 2dc0B1 ARG 1268 HB2 0.26 0.13 0.34 -0.04 1.90 2.59 2dc0B1 ARG 1268 HB3 0.11 -0.14 0.23 -0.04 1.80 1.97 2dc0B1 ARG 1268 HG2 0.11 0.06 -0.51 -0.04 1.67 1.29 2dc0B1 ARG 1268 HG3 0.10 -0.11 -0.03 -0.04 1.67 1.58 2dc0B1 ARG 1268 HD2 0.07 0.18 -0.02 -0.04 3.22 3.41 2dc0B1 ARG 1268 HD3 0.05 -0.04 -0.00 -0.04 3.22 3.19 2dc0B1 ALA 1269 H 0.20 0.49 -0.03 -0.55 8.40 8.51 2dc0B1 ALA 1269 HA -0.04 0.15 0.77 -0.75 4.34 4.46 2dc0B1 ALA 1269 HB3 0.28 -0.01 -0.08 -0.04 1.41 1.55 2dc0B1 GLU 1270 H -0.06 0.64 0.28 -0.55 8.60 8.91 2dc0B1 GLU 1270 HA 0.02 0.15 0.92 -0.75 4.29 4.62 2dc0B1 GLU 1270 HB2 -0.04 0.04 -0.13 -0.04 2.09 1.92 2dc0B1 GLU 1270 HB3 -0.07 -0.06 0.07 -0.04 1.99 1.90 2dc0B1 GLU 1270 HG2 -0.01 0.02 -0.19 -0.04 2.34 2.13 2dc0B1 GLU 1270 HG3 -0.01 -0.00 0.04 -0.04 2.34 2.33 2dc0B1 VAL 1271 H 0.03 0.20 0.15 -0.55 8.24 8.07 2dc0B1 VAL 1271 HA 0.08 0.31 1.05 -0.75 4.13 4.81 2dc0B1 VAL 1271 HB 0.01 -0.03 0.14 -0.04 2.12 2.20 2dc0B1 VAL 1271 HG13 -0.00 -0.02 -0.14 -0.04 0.97 0.76 2dc0B1 VAL 1271 HG23 0.04 0.03 -0.11 -0.04 0.95 0.86 2dc0B1 ARG 1272 H 0.05 0.77 0.32 -0.55 8.46 9.04 2dc0B1 ARG 1272 HA 0.02 0.11 0.96 -0.75 4.34 4.67 2dc0B1 ARG 1272 HB2 0.01 0.01 -0.03 -0.04 1.90 1.85 2dc0B1 ARG 1272 HB3 0.01 0.07 -0.02 -0.04 1.80 1.82 2dc0B1 ARG 1272 HG2 -0.00 0.01 -0.09 -0.04 1.67 1.55 2dc0B1 ARG 1272 HG3 -0.01 -0.06 -0.35 -0.04 1.67 1.21 2dc0B1 ARG 1272 HD2 -0.01 0.05 -0.13 -0.04 3.22 3.09 2dc0B1 ARG 1272 HD3 -0.01 -0.02 -0.05 -0.04 3.22 3.11 2dc0B1 GLU 1273 H 0.02 0.11 0.18 -0.55 8.60 8.37 2dc0B1 GLU 1273 HA 0.05 0.15 0.79 -0.75 4.29 4.52 2dc0B1 GLU 1273 HB2 0.04 -0.01 0.17 -0.04 2.09 2.25 2dc0B1 GLU 1273 HB3 0.03 -0.02 0.19 -0.04 1.99 2.15 2dc0B1 GLU 1273 HG2 0.04 -0.02 -0.28 -0.04 2.34 2.04 2dc0B1 GLU 1273 HG3 0.05 0.03 0.21 -0.04 2.34 2.59 2dc0B1 VAL 1274 H 0.06 0.56 0.30 -0.55 8.24 8.61 2dc0B1 VAL 1274 HA 0.03 0.21 0.80 -0.75 4.13 4.42 2dc0B1 VAL 1274 HB 0.03 0.04 0.07 -0.04 2.12 2.22 2dc0B1 VAL 1274 HG13 0.03 0.07 -0.17 -0.04 0.97 0.86 2dc0B1 VAL 1274 HG23 0.06 -0.05 -0.43 -0.04 0.95 0.48 2dc0B1 SER 1275 H 0.03 0.29 0.13 -0.55 8.46 8.37 2dc0B1 SER 1275 HA 0.06 0.02 0.94 -0.75 4.49 4.75 2dc0B1 SER 1275 HB2 0.03 0.02 -0.00 -0.04 3.95 3.96 2dc0B1 SER 1275 HB3 0.03 0.06 0.13 -0.04 3.93 4.11 2dc0B1 LEU 1276 H 0.08 0.05 -0.04 -0.55 8.37 7.92 2dc0B1 LEU 1276 HA 0.02 0.14 0.56 -0.75 4.35 4.31 2dc0B1 LEU 1276 HB2 0.02 0.15 -0.22 -0.04 1.64 1.54 2dc0B1 LEU 1276 HB3 0.02 -0.05 -0.04 -0.04 1.64 1.54 2dc0B1 LEU 1276 HG -0.17 -0.04 -0.10 -0.04 1.64 1.28 2dc0B1 LEU 1276 HD13 -0.03 0.01 -0.12 -0.04 0.93 0.76 2dc0B1 LEU 1276 HD23 -0.18 0.01 -0.07 -0.04 0.89 0.61 2dc0B1 PRO 1277 HA 0.12 0.11 0.37 -0.51 4.44 4.53 2dc0B1 PRO 1277 HB2 0.04 -0.08 0.10 -0.04 2.28 2.30 2dc0B1 PRO 1277 HB3 0.05 0.05 0.05 -0.04 2.02 2.13 2dc0B1 PRO 1277 HG2 0.03 0.08 0.03 -0.04 2.03 2.13 2dc0B1 PRO 1277 HG3 0.05 0.03 0.02 -0.04 2.03 2.08 2dc0B1 PRO 1277 HD2 0.03 0.14 0.06 -0.04 3.68 3.86 2dc0B1 PRO 1277 HD3 0.04 0.08 -0.28 -0.04 3.65 3.45 2dc0B1 LEU 1278 H 0.03 0.11 -0.09 -0.55 8.37 7.88 2dc0B1 LEU 1278 HA 0.01 0.05 0.26 -0.75 4.35 3.91 2dc0B1 LEU 1278 HB2 0.11 0.25 -0.11 -0.04 1.64 1.86 2dc0B1 LEU 1278 HB3 -0.00 -0.09 0.16 -0.04 1.64 1.66 2dc0B1 LEU 1278 HG -0.11 -0.05 -0.37 -0.04 1.64 1.07 2dc0B1 LEU 1278 HD13 -0.54 0.02 -0.08 -0.04 0.93 0.29 2dc0B1 LEU 1278 HD23 -0.08 -0.01 -0.03 -0.04 0.89 0.74 2dc0B1 GLU 1279 H 0.04 0.01 -0.21 -0.55 8.60 7.90 2dc0B1 GLU 1279 HA 0.05 0.07 0.38 -0.75 4.29 4.04 2dc0B1 GLU 1279 HB2 0.03 -0.01 0.08 -0.04 2.09 2.15 2dc0B1 GLU 1279 HB3 0.03 0.02 -0.04 -0.04 1.99 1.95 2dc0B1 GLU 1279 HG2 0.03 0.07 0.00 -0.04 2.34 2.40 2dc0B1 GLU 1279 HG3 0.03 -0.06 -0.03 -0.04 2.34 2.25 2dc0B1 GLY 1280 H 0.06 0.16 0.22 -0.55 8.43 8.32 2dc0B1 GLY 1280 HA2 0.07 -0.04 0.37 -0.51 4.01 3.90 2dc0B1 GLY 1280 HA3 0.04 0.16 0.48 -0.51 4.01 4.18 2dc0B1 VAL 1281 H 0.08 0.61 -0.23 -0.55 8.24 8.15 2dc0B1 VAL 1281 HA 0.05 0.06 0.26 -0.75 4.13 3.74 2dc0B1 VAL 1281 HB 0.03 0.12 0.09 -0.04 2.12 2.32 2dc0B1 VAL 1281 HG13 0.14 0.02 0.01 -0.04 0.97 1.10 2dc0B1 VAL 1281 HG23 -0.03 -0.01 -0.03 -0.04 0.95 0.84 2dc0B1 TYR 1282 H 0.21 0.10 -0.21 -0.55 8.29 7.84 2dc0B1 TYR 1282 HA 0.06 0.11 0.35 -0.75 4.56 4.33 2dc0B1 TYR 1282 HB2 0.02 0.10 0.10 -0.04 3.06 3.23 2dc0B1 TYR 1282 HB3 0.03 -0.07 0.07 -0.04 2.98 2.97 2dc0B1 TYR 1282 HD2 0.02 0.02 -0.08 -0.04 7.15 7.07 2dc0B1 TYR 1282 HE2 0.03 0.01 -0.06 -0.04 6.85 6.79 2dc0B1 GLU 1283 H 0.18 0.14 -0.13 -0.55 8.60 8.24 2dc0B1 GLU 1283 HA -0.02 0.05 0.53 -0.75 4.29 4.10 2dc0B1 GLU 1283 HB2 0.05 0.01 0.04 -0.04 2.09 2.16 2dc0B1 GLU 1283 HB3 0.13 -0.01 0.07 -0.04 1.99 2.14 2dc0B1 GLU 1283 HG2 0.09 -0.06 0.12 -0.04 2.34 2.46 2dc0B1 GLU 1283 HG3 0.05 0.10 -0.04 -0.04 2.34 2.40 2dc0B1 VAL 1284 H 0.05 0.49 -0.19 -0.55 8.24 8.04 2dc0B1 VAL 1284 HA -0.01 0.00 0.40 -0.75 4.13 3.77 2dc0B1 VAL 1284 HB 0.03 0.08 0.11 -0.04 2.12 2.30 2dc0B1 VAL 1284 HG13 -0.02 -0.00 -0.15 -0.04 0.97 0.75 2dc0B1 VAL 1284 HG23 0.01 0.07 -0.07 -0.04 0.95 0.93 2dc0B1 TYR 1285 H 0.11 0.64 -0.09 -0.55 8.29 8.39 2dc0B1 TYR 1285 HA -0.04 0.04 0.37 -0.75 4.56 4.18 2dc0B1 TYR 1285 HB2 -0.06 0.04 0.08 -0.04 3.06 3.08 2dc0B1 TYR 1285 HB3 -0.12 0.12 0.17 -0.04 2.98 3.11 2dc0B1 TYR 1285 HD2 -0.12 0.05 -0.05 -0.04 7.15 6.99 2dc0B1 TYR 1285 HE2 -0.03 0.13 -0.08 -0.04 6.85 6.82 2dc0B1 THR 1286 H -0.04 0.54 -0.10 -0.55 8.28 8.13 2dc0B1 THR 1286 HA -0.23 -0.02 0.33 -0.75 4.39 3.71 2dc0B1 THR 1286 HB -0.11 0.02 0.14 -0.04 4.32 4.33 2dc0B1 THR 1286 HG23 -0.06 -0.02 -0.11 -0.04 1.22 0.99 2dc0B1 ARG 1287 H -0.06 0.64 -0.16 -0.55 8.46 8.33 2dc0B1 ARG 1287 HA 0.00 0.02 0.41 -0.75 4.34 4.02 2dc0B1 ARG 1287 HB2 -0.01 0.12 0.15 -0.04 1.90 2.12 2dc0B1 ARG 1287 HB3 0.02 -0.06 -0.02 -0.04 1.80 1.70 2dc0B1 ARG 1287 HG2 0.02 -0.05 0.02 -0.04 1.67 1.62 2dc0B1 ARG 1287 HG3 -0.00 0.11 0.11 -0.04 1.67 1.84 2dc0B1 ARG 1287 HD2 0.00 0.03 -0.05 -0.04 3.22 3.15 2dc0B1 ARG 1287 HD3 0.01 -0.05 -0.00 -0.04 3.22 3.13 2dc0B1 LEU 1288 H -0.07 0.58 -0.11 -0.55 8.37 8.23 2dc0B1 LEU 1288 HA 0.16 -0.01 0.42 -0.75 4.35 4.16 2dc0B1 LEU 1288 HB2 -0.06 0.15 0.12 -0.04 1.64 1.82 2dc0B1 LEU 1288 HB3 -0.10 0.05 0.12 -0.04 1.64 1.67 2dc0B1 LEU 1288 HG -0.02 -0.06 0.00 -0.04 1.64 1.52 2dc0B1 LEU 1288 HD13 -0.08 0.02 -0.12 -0.04 0.93 0.70 2dc0B1 LEU 1288 HD23 0.05 -0.02 -0.18 -0.04 0.89 0.71 2dc0B1 VAL 1289 H -0.28 0.71 -0.04 -0.55 8.24 8.07 2dc0B1 VAL 1289 HA -0.09 -0.03 0.43 -0.75 4.13 3.69 2dc0B1 VAL 1289 HB -0.51 0.08 0.08 -0.04 2.12 1.73 2dc0B1 VAL 1289 HG13 -0.11 -0.03 -0.21 -0.04 0.97 0.57 2dc0B1 VAL 1289 HG23 -0.69 0.01 -0.02 -0.04 0.95 0.21 2dc0B1 ARG 1290 H -0.11 0.67 -0.02 -0.55 8.46 8.45 2dc0B1 ARG 1290 HA -0.06 -0.01 0.40 -0.75 4.34 3.92 2dc0B1 ARG 1290 HB2 -0.02 0.14 0.13 -0.04 1.90 2.11 2dc0B1 ARG 1290 HB3 -0.03 -0.02 0.00 -0.04 1.80 1.71 2dc0B1 ARG 1290 HG2 -0.05 -0.06 -0.00 -0.04 1.67 1.52 2dc0B1 ARG 1290 HG3 -0.08 0.05 0.08 -0.04 1.67 1.68 2dc0B1 ARG 1290 HD2 -0.02 -0.00 -0.09 -0.04 3.22 3.07 2dc0B1 ARG 1290 HD3 -0.02 0.07 -0.01 -0.04 3.22 3.22 2dc0B1 TYR 1291 H 0.11 0.53 -0.26 -0.55 8.29 8.12 2dc0B1 TYR 1291 HA -0.07 0.15 0.44 -0.75 4.56 4.32 2dc0B1 TYR 1291 HB2 0.01 0.06 0.13 -0.04 3.06 3.22 2dc0B1 TYR 1291 HB3 -0.00 0.06 0.18 -0.04 2.98 3.17 2dc0B1 TYR 1291 HD2 -0.37 0.02 -0.19 -0.04 7.15 6.57 2dc0B1 TYR 1291 HE2 -0.31 -0.02 -0.23 -0.04 6.85 6.25 2dc0B1 GLU 1292 H 0.08 0.47 -0.08 -0.55 8.60 8.51 2dc0B1 GLU 1292 HA -0.12 -0.00 0.45 -0.75 4.29 3.86 2dc0B1 GLU 1292 HB2 0.01 0.08 0.27 -0.04 2.09 2.40 2dc0B1 GLU 1292 HB3 -0.01 -0.13 0.15 -0.04 1.99 1.95 2dc0B1 GLU 1292 HG2 -0.04 -0.04 0.07 -0.04 2.34 2.29 2dc0B1 GLU 1292 HG3 0.17 0.43 0.19 -0.04 2.34 3.09 2dc0B1 ALA 1293 H -0.05 0.68 -0.02 -0.55 8.40 8.47 2dc0B1 ALA 1293 HA -0.01 0.18 0.48 -0.75 4.34 4.24 2dc0B1 ALA 1293 HB3 -0.01 -0.03 0.03 -0.04 1.41 1.37 2dc0B1 ALA 1294 H -0.11 0.62 -0.16 -0.55 8.40 8.20 2dc0B1 ALA 1294 HA -0.09 -0.04 0.41 -0.75 4.34 3.88 2dc0B1 ALA 1294 HB3 -0.16 0.04 0.07 -0.04 1.41 1.32 2dc0B1 ARG 1295 H -0.23 0.42 -0.28 -0.55 8.46 7.81 2dc0B1 ARG 1295 HA -0.16 0.00 0.48 -0.75 4.34 3.91 2dc0B1 ARG 1295 HB2 -0.20 0.13 0.15 -0.04 1.90 1.93 2dc0B1 ARG 1295 HB3 -0.17 -0.09 0.07 -0.04 1.80 1.58 2dc0B1 ARG 1295 HG2 -0.67 0.44 0.11 -0.04 1.67 1.51 2dc0B1 ARG 1295 HG3 -0.44 -0.11 0.02 -0.04 1.67 1.09 2dc0B1 ARG 1295 HD2 -0.22 -0.07 0.03 -0.04 3.22 2.92 2dc0B1 ARG 1295 HD3 -0.28 -0.02 -0.12 -0.04 3.22 2.75 2dc0B1 ILE 1296 H -0.12 0.45 -0.18 -0.55 8.25 7.84 2dc0B1 ILE 1296 HA -0.15 -0.01 0.46 -0.75 4.18 3.73 2dc0B1 ILE 1296 HB -0.22 0.18 0.18 -0.04 1.89 1.99 2dc0B1 ILE 1296 HG12 -0.11 -0.11 0.01 -0.04 1.49 1.23 2dc0B1 ILE 1296 HG13 -0.10 0.30 0.07 -0.04 1.21 1.44 2dc0B1 ILE 1296 HG23 -0.47 0.02 -0.09 -0.04 0.93 0.35 2dc0B1 ILE 1296 HD13 -0.06 -0.01 -0.31 -0.04 0.88 0.45 2dc0B1 HIS 1297 H -0.04 0.45 -0.19 -0.55 8.41 8.09 2dc0B1 HIS 1297 HA 0.05 0.15 0.82 -0.75 4.63 4.89 2dc0B1 HIS 1297 HB2 -0.12 0.07 0.06 -0.04 3.26 3.23 2dc0B1 HIS 1297 HB3 0.13 -0.10 0.14 -0.04 3.20 3.32 2dc0B1 HIS 1297 HD2 -0.05 0.12 0.05 -0.04 6.97 7.04 2dc0B1 HIS 1297 HE1 0.07 -0.00 -0.01 -0.04 7.75 7.76 2dc0B1 GLU 1298 H -0.03 0.33 -0.47 -0.55 8.60 7.88 2dc0B1 GLU 1298 HA -0.01 0.06 0.37 -0.75 4.29 3.96 2dc0B1 GLU 1298 HB2 -0.07 0.15 0.19 -0.04 2.09 2.31 2dc0B1 GLU 1298 HB3 -0.04 0.01 0.12 -0.04 1.99 2.03 2dc0B1 GLU 1298 HG2 -0.02 -0.06 -0.19 -0.04 2.34 2.03 2dc0B1 GLU 1298 HG3 -0.04 -0.02 0.02 -0.04 2.34 2.26 2dc0B1 LYS 1299 H 0.02 0.21 -0.16 -0.55 8.42 7.94 2dc0B1 LYS 1299 HA 0.03 0.06 0.42 -0.75 4.32 4.07 2dc0B1 LYS 1299 HB2 0.01 0.02 0.08 -0.04 1.87 1.94 2dc0B1 LYS 1299 HB3 0.03 0.04 0.07 -0.04 1.79 1.89 2dc0B1 LYS 1299 HG2 0.05 0.01 -0.28 -0.04 1.46 1.19 2dc0B1 LYS 1299 HG3 0.03 -0.03 0.00 -0.04 1.46 1.42 2dc0B1 LYS 1299 HD2 0.00 -0.01 -0.01 -0.04 1.69 1.63 2dc0B1 LYS 1299 HD3 0.01 0.05 -0.04 -0.04 1.68 1.66 2dc0B1 LYS 1299 HE2 0.00 0.01 -0.03 -0.04 2.99 2.93 2dc0B1 LYS 1299 HE3 0.02 0.02 -0.08 -0.04 2.99 2.90 2dc0B1 ALA 1300 H 0.13 0.18 -0.21 -0.55 8.40 7.96 2dc0B1 ALA 1300 HA 0.14 -0.01 0.38 -0.75 4.34 4.10 2dc0B1 ALA 1300 HB3 0.20 0.05 0.04 -0.04 1.41 1.66 2dc0B1 LEU 1301 H 0.20 0.58 -0.25 -0.55 8.37 8.36 2dc0B1 LEU 1301 HA 0.34 -0.02 0.31 -0.75 4.35 4.23 2dc0B1 LEU 1301 HB2 0.00 0.04 0.03 -0.04 1.64 1.67 2dc0B1 LEU 1301 HB3 0.04 0.12 0.06 -0.04 1.64 1.82 2dc0B1 LEU 1301 HG 0.02 -0.00 -0.10 -0.04 1.64 1.52 2dc0B1 LEU 1301 HD13 -0.04 -0.02 0.06 -0.04 0.93 0.89 2dc0B1 LEU 1301 HD23 -0.07 -0.02 -0.14 -0.04 0.89 0.62 2dc0B1 LYS 1302 H 0.08 0.31 -0.44 -0.55 8.42 7.82 2dc0B1 LYS 1302 HA 0.03 0.07 0.65 -0.75 4.32 4.32 2dc0B1 LYS 1302 HB2 0.02 0.01 0.09 -0.04 1.87 1.94 2dc0B1 LYS 1302 HB3 0.03 0.08 0.21 -0.04 1.79 2.07 2dc0B1 LYS 1302 HG2 0.00 -0.06 -0.02 -0.04 1.46 1.35 2dc0B1 LYS 1302 HG3 0.00 0.00 -0.23 -0.04 1.46 1.19 2dc0B1 LYS 1302 HD2 0.00 0.03 0.08 -0.04 1.69 1.76 2dc0B1 LYS 1302 HD3 0.00 -0.01 0.01 -0.04 1.68 1.65 2dc0B1 LYS 1302 HE2 -0.00 -0.03 -0.01 -0.04 2.99 2.91 2dc0B1 LYS 1302 HE3 -0.01 -0.01 -0.01 -0.04 2.99 2.93 2dc0B1 GLU 1303 H 0.07 0.57 0.13 -0.55 8.60 8.82 2dc0B1 GLU 1303 HA -0.07 0.07 0.60 -0.75 4.29 4.13 2dc0B1 GLU 1303 HB2 0.23 0.01 0.06 -0.04 2.09 2.34 2dc0B1 GLU 1303 HB3 0.02 -0.05 0.06 -0.04 1.99 1.98 2dc0B1 GLU 1303 HG2 0.01 -0.05 0.00 -0.04 2.34 2.27 2dc0B1 GLU 1303 HG3 0.05 0.21 0.14 -0.04 2.34 2.70 2dc0B1 HIS 1304 H 0.14 0.60 -0.07 -0.55 8.41 8.54 2dc0B1 HIS 1304 HA -0.01 0.12 0.79 -0.75 4.63 4.78 2dc0B1 HIS 1304 HB2 -0.08 0.02 0.20 -0.04 3.26 3.36 2dc0B1 HIS 1304 HB3 -0.11 -0.09 0.18 -0.04 3.20 3.13 2dc0B1 HIS 1304 HD2 -0.07 -0.04 0.03 -0.04 6.97 6.85 2dc0B1 HIS 1304 HE1 -0.03 -0.04 -0.05 -0.04 7.75 7.58 2dc0B1 PRO 1305 HA 0.34 0.06 0.50 -0.51 4.44 4.83 2dc0B1 PRO 1305 HB2 0.12 -0.07 0.03 -0.04 2.28 2.32 2dc0B1 PRO 1305 HB3 0.12 0.41 0.20 -0.04 2.02 2.70 2dc0B1 PRO 1305 HG2 0.05 -0.09 0.02 -0.04 2.03 1.97 2dc0B1 PRO 1305 HG3 0.04 0.07 0.03 -0.04 2.03 2.13 2dc0B1 PRO 1305 HD2 -0.02 0.12 -0.17 -0.04 3.68 3.57 2dc0B1 PRO 1305 HD3 0.04 0.28 -0.47 -0.04 3.65 3.46 2dc0B1 GLU 1306 H 0.06 0.15 -0.25 -0.55 8.60 8.01 2dc0B1 GLU 1306 HA 0.15 0.10 0.38 -0.75 4.29 4.17 2dc0B1 GLU 1306 HB2 0.10 -0.00 0.08 -0.04 2.09 2.23 2dc0B1 GLU 1306 HB3 0.06 -0.01 0.06 -0.04 1.99 2.06 2dc0B1 GLU 1306 HG2 0.00 0.06 -0.30 -0.04 2.34 2.06 2dc0B1 GLU 1306 HG3 0.03 -0.01 -0.05 -0.04 2.34 2.27 2dc0B1 GLY 1307 H -0.05 0.37 -0.64 -0.55 8.43 7.57 2dc0B1 GLY 1307 HA2 -0.40 0.07 0.28 -0.51 4.01 3.44 2dc0B1 GLY 1307 HA3 -0.40 0.06 0.06 -0.51 4.01 3.22 2dc0B1 PHE 1308 H 0.19 0.50 -0.33 -0.55 8.34 8.16 2dc0B1 PHE 1308 HA 0.36 0.03 0.85 -0.75 4.62 5.10 2dc0B1 PHE 1308 HB2 0.10 0.16 0.09 -0.04 3.15 3.46 2dc0B1 PHE 1308 HB3 0.10 -0.12 0.01 -0.04 3.06 3.00 2dc0B1 PHE 1308 HD2 0.03 -0.00 0.00 -0.04 7.28 7.27 2dc0B1 PHE 1308 HE2 -0.13 0.01 -0.24 -0.04 7.38 6.98 2dc0B1 PHE 1308 HZ -0.01 0.05 -0.06 -0.04 7.32 7.26 2dc0B1 SER 1309 H 0.41 0.05 0.19 -0.55 8.46 8.57 2dc0B1 SER 1309 HA -0.20 0.23 0.53 -0.75 4.49 4.30 2dc0B1 SER 1309 HB2 -0.30 0.03 0.18 -0.04 3.95 3.82 2dc0B1 SER 1309 HB3 -0.51 0.06 0.19 -0.04 3.93 3.63 2dc0B1 PRO 1310 HA 0.02 0.14 0.40 -0.51 4.44 4.49 2dc0B1 PRO 1310 HB2 -0.04 -0.03 0.10 -0.04 2.28 2.27 2dc0B1 PRO 1310 HB3 -0.02 0.07 0.08 -0.04 2.02 2.11 2dc0B1 PRO 1310 HG2 -0.08 0.06 0.11 -0.04 2.03 2.08 2dc0B1 PRO 1310 HG3 -0.03 0.12 0.11 -0.04 2.03 2.18 2dc0B1 PRO 1310 HD2 -0.18 0.05 0.24 -0.04 3.68 3.74 2dc0B1 PRO 1310 HD3 -0.19 0.24 0.26 -0.04 3.65 3.92 2dc0B1 GLN 1311 H -0.04 0.13 -0.11 -0.55 8.47 7.90 2dc0B1 GLN 1311 HA 0.00 0.09 0.43 -0.75 4.36 4.14 2dc0B1 GLN 1311 HB2 0.02 -0.02 0.10 -0.04 2.15 2.21 2dc0B1 GLN 1311 HB3 0.04 0.04 0.03 -0.04 2.02 2.09 2dc0B1 GLN 1311 HG2 0.00 0.02 0.04 -0.04 2.40 2.42 2dc0B1 GLN 1311 HG3 -0.01 0.02 0.03 -0.04 2.39 2.39 2dc0B1 GLN 1311 HE21 -0.08 0.04 0.01 -0.04 6.97 6.90 2dc0B1 GLN 1311 HE22 -0.03 0.00 0.02 -0.04 7.69 7.63 2dc0B1 VAL 1312 H 0.03 0.07 -0.17 -0.55 8.24 7.62 2dc0B1 VAL 1312 HA 0.00 0.11 0.50 -0.75 4.13 3.99 2dc0B1 VAL 1312 HB 0.13 -0.03 0.14 -0.04 2.12 2.32 2dc0B1 VAL 1312 HG13 -0.11 0.03 -0.13 -0.04 0.97 0.71 2dc0B1 VAL 1312 HG23 0.11 0.02 0.06 -0.04 0.95 1.10 2dc0B1 ARG 1313 H 0.05 0.68 -0.12 -0.55 8.46 8.52 2dc0B1 ARG 1313 HA -0.11 0.04 0.38 -0.75 4.34 3.89 2dc0B1 ARG 1313 HB2 0.15 0.14 -0.08 -0.04 1.90 2.07 2dc0B1 ARG 1313 HB3 0.05 0.01 0.02 -0.04 1.80 1.84 2dc0B1 ARG 1313 HG2 0.05 -0.06 -0.09 -0.04 1.67 1.53 2dc0B1 ARG 1313 HG3 0.08 -0.01 0.07 -0.04 1.67 1.77 2dc0B1 ARG 1313 HD2 0.11 -0.07 -0.07 -0.04 3.22 3.16 2dc0B1 ARG 1313 HD3 0.21 0.33 -0.00 -0.04 3.22 3.72 2dc0B1 GLU 1314 H -0.00 0.50 -0.25 -0.55 8.60 8.30 2dc0B1 GLU 1314 HA -0.01 0.04 0.46 -0.75 4.29 4.03 2dc0B1 GLU 1314 HB2 0.00 0.01 0.11 -0.04 2.09 2.17 2dc0B1 GLU 1314 HB3 0.00 0.11 0.17 -0.04 1.99 2.23 2dc0B1 GLU 1314 HG2 0.00 -0.01 -0.27 -0.04 2.34 2.03 2dc0B1 GLU 1314 HG3 0.00 -0.03 0.02 -0.04 2.34 2.29 2dc0B1 ALA 1315 H -0.03 0.42 -0.17 -0.55 8.40 8.08 2dc0B1 ALA 1315 HA -0.02 -0.01 0.43 -0.75 4.34 3.99 2dc0B1 ALA 1315 HB3 -0.03 0.02 0.13 -0.04 1.41 1.49 2dc0B1 LEU 1316 H -0.11 0.67 -0.08 -0.55 8.37 8.30 2dc0B1 LEU 1316 HA -0.11 0.03 0.44 -0.75 4.35 3.96 2dc0B1 LEU 1316 HB2 -0.23 0.09 0.13 -0.04 1.64 1.59 2dc0B1 LEU 1316 HB3 -0.20 -0.00 -0.01 -0.04 1.64 1.39 2dc0B1 LEU 1316 HG -0.30 0.15 0.02 -0.04 1.64 1.47 2dc0B1 LEU 1316 HD13 -0.93 -0.00 -0.08 -0.04 0.93 -0.13 2dc0B1 LEU 1316 HD23 -0.14 -0.01 -0.14 -0.04 0.89 0.56 2dc0B1 LEU 1317 H -0.07 0.54 -0.14 -0.55 8.37 8.16 2dc0B1 LEU 1317 HA -0.05 0.04 0.44 -0.75 4.35 4.03 2dc0B1 LEU 1317 HB2 -0.02 0.08 0.16 -0.04 1.64 1.82 2dc0B1 LEU 1317 HB3 -0.02 -0.07 0.02 -0.04 1.64 1.54 2dc0B1 LEU 1317 HG -0.03 0.21 0.13 -0.04 1.64 1.91 2dc0B1 LEU 1317 HD13 0.00 -0.03 -0.03 -0.04 0.93 0.83 2dc0B1 LEU 1317 HD23 -0.01 -0.01 0.01 -0.04 0.89 0.84 2dc0B1 ALA 1318 H -0.03 0.46 -0.34 -0.55 8.40 7.94 2dc0B1 ALA 1318 HA -0.01 -0.00 0.42 -0.75 4.34 4.00 2dc0B1 ALA 1318 HB3 -0.01 0.03 0.10 -0.04 1.41 1.49 2dc0B1 GLY 1319 H -0.05 0.38 -0.30 -0.55 8.43 7.91 2dc0B1 GLY 1319 HA2 -0.01 -0.06 0.31 -0.51 4.01 3.73 2dc0B1 GLY 1319 HA3 -0.07 0.19 0.22 -0.51 4.01 3.84 2dc0B1 LEU 1320 H -0.07 0.49 -0.11 -0.55 8.37 8.13 2dc0B1 LEU 1320 HA -0.14 0.04 0.42 -0.75 4.35 3.92 2dc0B1 LEU 1320 HB2 -0.05 0.10 0.15 -0.04 1.64 1.79 2dc0B1 LEU 1320 HB3 -0.05 -0.07 -0.01 -0.04 1.64 1.47 2dc0B1 LEU 1320 HG -0.09 0.10 -0.00 -0.04 1.64 1.61 2dc0B1 LEU 1320 HD13 -0.04 -0.02 -0.03 -0.04 0.93 0.80 2dc0B1 LEU 1320 HD23 -0.13 -0.00 -0.07 -0.04 0.89 0.65 2dc0B1 ALA 1321 H -0.02 0.30 -0.48 -0.55 8.40 7.65 2dc0B1 ALA 1321 HA 0.00 -0.01 0.42 -0.75 4.34 4.01 2dc0B1 ALA 1321 HB3 0.01 0.02 0.08 -0.04 1.41 1.48 2dc0B1 LEU 1322 H 0.03 0.37 -0.49 -0.55 8.37 7.74 2dc0B1 LEU 1322 HA 0.08 -0.09 0.56 -0.75 4.35 4.15 2dc0B1 LEU 1322 HB2 0.25 0.25 0.16 -0.04 1.64 2.27 2dc0B1 LEU 1322 HB3 0.20 -0.14 0.03 -0.04 1.64 1.69 2dc0B1 LEU 1322 HG 0.05 0.29 0.11 -0.04 1.64 2.05 2dc0B1 LEU 1322 HD13 0.09 -0.04 0.03 -0.04 0.93 0.97 2dc0B1 LEU 1322 HD23 0.05 -0.04 -0.01 -0.04 0.89 0.84 2dc0B1 THR 1323 H 0.08 0.00 0.22 -0.55 8.28 8.04 2dc0B1 THR 1323 HA 0.13 0.31 0.63 -0.75 4.39 4.71 2dc0B1 THR 1323 HB 0.05 -0.06 0.19 -0.04 4.32 4.46 2dc0B1 THR 1323 HG23 0.04 0.07 0.08 -0.04 1.22 1.37 2dc0B1 GLU 1324 H 0.10 0.24 0.19 -0.55 8.60 8.58 2dc0B1 GLU 1324 HA -0.09 0.15 0.42 -0.75 4.29 4.01 2dc0B1 GLU 1324 HB2 0.05 0.03 0.10 -0.04 2.09 2.22 2dc0B1 GLU 1324 HB3 0.11 0.11 0.15 -0.04 1.99 2.31 2dc0B1 GLU 1324 HG2 0.04 0.08 0.05 -0.04 2.34 2.47 2dc0B1 GLU 1324 HG3 0.04 -0.10 0.15 -0.04 2.34 2.39 2dc0B1 LYS 1325 H 0.02 0.07 -0.26 -0.55 8.42 7.69 2dc0B1 LYS 1325 HA -0.02 0.10 0.41 -0.75 4.32 4.05 2dc0B1 LYS 1325 HB2 0.00 0.04 0.08 -0.04 1.87 1.95 2dc0B1 LYS 1325 HB3 0.00 -0.03 0.06 -0.04 1.79 1.79 2dc0B1 LYS 1325 HG2 -0.00 0.04 -0.03 -0.04 1.46 1.42 2dc0B1 LYS 1325 HG3 -0.01 0.01 -0.25 -0.04 1.46 1.16 2dc0B1 LYS 1325 HD2 -0.02 -0.04 0.06 -0.04 1.69 1.65 2dc0B1 LYS 1325 HD3 -0.01 0.01 0.02 -0.04 1.68 1.66 2dc0B1 LYS 1325 HE2 -0.02 0.02 -0.01 -0.04 2.99 2.95 2dc0B1 LYS 1325 HE3 -0.01 0.02 -0.01 -0.04 2.99 2.95 2dc0B1 ASP 1326 H 0.00 0.10 -0.20 -0.55 8.40 7.76 2dc0B1 ASP 1326 HA -0.02 0.03 0.39 -0.75 4.63 4.27 2dc0B1 ASP 1326 HB2 0.04 0.25 0.12 -0.04 2.71 3.07 2dc0B1 ASP 1326 HB3 0.02 0.03 0.01 -0.04 2.70 2.72 2dc0B1 TYR 1327 H -0.13 0.38 -0.33 -0.55 8.29 7.66 2dc0B1 TYR 1327 HA -0.31 0.05 0.39 -0.75 4.56 3.94 2dc0B1 TYR 1327 HB2 -1.61 0.07 0.04 -0.04 3.06 1.52 2dc0B1 TYR 1327 HB3 -0.58 0.12 0.17 -0.04 2.98 2.65 2dc0B1 TYR 1327 HD2 -0.27 0.02 0.00 -0.04 7.15 6.86 2dc0B1 TYR 1327 HE2 -0.04 0.02 0.01 -0.04 6.85 6.81 2dc0B1 ARG 1328 H -0.10 0.62 0.01 -0.55 8.46 8.43 2dc0B1 ARG 1328 HA -0.25 0.01 0.41 -0.75 4.34 3.75 2dc0B1 ARG 1328 HB2 -0.07 0.07 0.21 -0.04 1.90 2.07 2dc0B1 ARG 1328 HB3 -0.08 -0.04 0.02 -0.04 1.80 1.66 2dc0B1 ARG 1328 HG2 -0.06 -0.02 0.06 -0.04 1.67 1.60 2dc0B1 ARG 1328 HG3 -0.02 0.12 0.08 -0.04 1.67 1.81 2dc0B1 ARG 1328 HD2 -0.03 -0.01 0.01 -0.04 3.22 3.14 2dc0B1 ARG 1328 HD3 -0.01 -0.00 -0.00 -0.04 3.22 3.16 2dc0B1 ASP 1329 H -0.10 0.59 -0.21 -0.55 8.40 8.13 2dc0B1 ASP 1329 HA -0.07 -0.00 0.41 -0.75 4.63 4.21 2dc0B1 ASP 1329 HB2 -0.06 0.15 0.15 -0.04 2.71 2.92 2dc0B1 ASP 1329 HB3 -0.04 -0.05 -0.00 -0.04 2.70 2.56 2dc0B1 ALA 1330 H -0.14 0.54 -0.13 -0.55 8.40 8.12 2dc0B1 ALA 1330 HA -0.08 -0.03 0.43 -0.75 4.34 3.90 2dc0B1 ALA 1330 HB3 -0.12 0.05 0.13 -0.04 1.41 1.43 2dc0B1 VAL 1331 H -0.34 0.65 -0.07 -0.55 8.24 7.92 2dc0B1 VAL 1331 HA -0.22 0.03 0.43 -0.75 4.13 3.62 2dc0B1 VAL 1331 HB -0.30 0.11 0.19 -0.04 2.12 2.08 2dc0B1 VAL 1331 HG13 -0.17 -0.01 -0.09 -0.04 0.97 0.66 2dc0B1 VAL 1331 HG23 -0.76 0.05 0.02 -0.04 0.95 0.22 2dc0B1 ALA 1332 H -0.14 0.59 -0.09 -0.55 8.40 8.22 2dc0B1 ALA 1332 HA -0.08 0.01 0.47 -0.75 4.34 3.99 2dc0B1 ALA 1332 HB3 -0.07 0.01 0.12 -0.04 1.41 1.43 2dc0B1 GLU 1333 H -0.08 0.68 -0.08 -0.55 8.60 8.57 2dc0B1 GLU 1333 HA -0.03 -0.02 0.41 -0.75 4.29 3.88 2dc0B1 GLU 1333 HB2 -0.05 0.09 0.14 -0.04 2.09 2.23 2dc0B1 GLU 1333 HB3 -0.02 -0.07 0.02 -0.04 1.99 1.87 2dc0B1 GLU 1333 HG2 -0.03 -0.08 0.02 -0.04 2.34 2.21 2dc0B1 GLU 1333 HG3 -0.05 0.38 0.11 -0.04 2.34 2.75 2dc0B1 ARG 1334 H -0.07 0.55 -0.27 -0.55 8.46 8.12 2dc0B1 ARG 1334 HA -0.03 -0.01 0.46 -0.75 4.34 4.01 2dc0B1 ARG 1334 HB2 -0.05 -0.02 0.07 -0.04 1.90 1.86 2dc0B1 ARG 1334 HB3 -0.07 0.14 0.19 -0.04 1.80 2.01 2dc0B1 ARG 1334 HG2 -0.04 -0.03 -0.27 -0.04 1.67 1.29 2dc0B1 ARG 1334 HG3 -0.02 -0.08 -0.05 -0.04 1.67 1.48 2dc0B1 ARG 1334 HD2 -0.03 0.30 0.05 -0.04 3.22 3.51 2dc0B1 ARG 1334 HD3 -0.02 -0.08 0.00 -0.04 3.22 3.07 2dc0B1 GLU 1335 H -0.06 0.47 -0.05 -0.55 8.60 8.42 2dc0B1 GLU 1335 HA -0.04 0.03 0.46 -0.75 4.29 3.98 2dc0B1 GLU 1335 HB2 -0.05 0.14 0.19 -0.04 2.09 2.33 2dc0B1 GLU 1335 HB3 -0.04 -0.07 0.06 -0.04 1.99 1.90 2dc0B1 GLU 1335 HG2 -0.07 0.21 0.12 -0.04 2.34 2.56 2dc0B1 GLU 1335 HG3 -0.06 -0.06 0.05 -0.04 2.34 2.23 2dc0B1 ALA 1336 H -0.03 0.39 -0.37 -0.55 8.40 7.84 2dc0B1 ALA 1336 HA -0.02 0.01 0.43 -0.75 4.34 4.01 2dc0B1 ALA 1336 HB3 -0.02 0.03 0.09 -0.04 1.41 1.47 2dc0B1 LEU 1337 H -0.02 0.46 -0.35 -0.55 8.37 7.92 2dc0B1 LEU 1337 HA -0.01 0.01 0.59 -0.75 4.35 4.18 2dc0B1 LEU 1337 HB2 -0.02 0.22 0.13 -0.04 1.64 1.93 2dc0B1 LEU 1337 HB3 -0.03 -0.10 0.06 -0.04 1.64 1.53 2dc0B1 LEU 1337 HG -0.01 0.26 0.05 -0.04 1.64 1.91 2dc0B1 LEU 1337 HD13 -0.01 -0.02 -0.06 -0.04 0.93 0.80 2dc0B1 LEU 1337 HD23 -0.00 -0.02 -0.06 -0.04 0.89 0.77 2dc0B1 ARG 1338 H -0.01 0.41 -0.20 -0.55 8.46 8.10 2dc0B1 ARG 1338 HA 0.01 0.04 0.37 -0.75 4.34 4.01 2dc0B1 ARG 1338 HB2 -0.01 0.08 0.17 -0.04 1.90 2.09 2dc0B1 ARG 1338 HB3 -0.00 -0.05 0.04 -0.04 1.80 1.75 2dc0B1 ARG 1338 HG2 0.01 0.01 0.09 -0.04 1.67 1.74 2dc0B1 ARG 1338 HG3 -0.02 0.13 0.16 -0.04 1.67 1.90 2dc0B1 ARG 1338 HD2 -0.04 -0.02 0.08 -0.04 3.22 3.20 2dc0B1 ARG 1338 HD3 -0.03 -0.02 0.05 -0.04 3.22 3.19 2dc0B1 LEU 1339 H -0.01 0.26 -0.14 -0.55 8.37 7.94 2dc0B1 LEU 1339 HA 0.00 0.03 0.38 -0.75 4.35 4.01 2dc0B1 LEU 1339 HB2 -0.01 0.04 0.12 -0.04 1.64 1.75 2dc0B1 LEU 1339 HB3 -0.00 0.05 0.06 -0.04 1.64 1.71 2dc0B1 LEU 1339 HG 0.00 -0.02 -0.09 -0.04 1.64 1.50 2dc0B1 LEU 1339 HD13 -0.00 -0.01 0.06 -0.04 0.93 0.94 2dc0B1 LEU 1339 HD23 -0.00 0.00 0.01 -0.04 0.89 0.86 2dc0B1 GLU 1340 H -0.00 0.26 -0.29 -0.55 8.60 8.02 2dc0B1 GLU 1340 HA 0.01 0.01 0.39 -0.75 4.29 3.94 2dc0B1 GLU 1340 HB2 -0.01 0.31 0.17 -0.04 2.09 2.52 2dc0B1 GLU 1340 HB3 -0.00 -0.06 -0.02 -0.04 1.99 1.86 2dc0B1 GLU 1340 HG2 0.01 -0.02 0.07 -0.04 2.34 2.35 2dc0B1 GLU 1340 HG3 0.00 0.06 0.09 -0.04 2.34 2.45 2dc0B1 LEU 1341 H 0.01 0.40 -0.13 -0.55 8.37 8.10 2dc0B1 LEU 1341 HA 0.03 0.04 0.50 -0.75 4.35 4.16 2dc0B1 LEU 1341 HB2 0.02 -0.01 0.07 -0.04 1.64 1.68 2dc0B1 LEU 1341 HB3 0.04 0.14 0.16 -0.04 1.64 1.93 2dc0B1 LEU 1341 HG 0.08 -0.03 -0.22 -0.04 1.64 1.44 2dc0B1 LEU 1341 HD13 0.14 -0.01 -0.06 -0.04 0.93 0.96 2dc0B1 LEU 1341 HD23 0.12 0.02 -0.06 -0.04 0.89 0.93 2dc0B1 VAL 1342 H 0.02 0.49 -0.03 -0.55 8.24 8.18 2dc0B1 VAL 1342 HA 0.03 -0.01 0.36 -0.75 4.13 3.76 2dc0B1 VAL 1342 HB 0.01 0.12 0.20 -0.04 2.12 2.41 2dc0B1 VAL 1342 HG13 0.01 -0.02 -0.10 -0.04 0.97 0.82 2dc0B1 VAL 1342 HG23 0.02 0.03 0.03 -0.04 0.95 0.99 2dc0B1 LYS 1343 H 0.01 0.53 -0.15 -0.55 8.42 8.26 2dc0B1 LYS 1343 HA 0.01 0.01 0.45 -0.75 4.32 4.03 2dc0B1 LYS 1343 HB2 0.01 0.11 0.15 -0.04 1.87 2.10 2dc0B1 LYS 1343 HB3 0.01 -0.04 0.04 -0.04 1.79 1.76 2dc0B1 LYS 1343 HG2 0.01 -0.05 0.04 -0.04 1.46 1.41 2dc0B1 LYS 1343 HG3 0.01 0.17 0.08 -0.04 1.46 1.68 2dc0B1 LYS 1343 HD2 0.00 -0.06 -0.03 -0.04 1.69 1.57 2dc0B1 LYS 1343 HD3 0.01 -0.02 -0.03 -0.04 1.68 1.60 2dc0B1 LYS 1343 HE2 0.01 0.04 0.01 -0.04 2.99 3.00 2dc0B1 LYS 1343 HE3 0.01 -0.01 0.01 -0.04 2.99 2.95 2dc0B1 ALA 1344 H 0.02 0.38 -0.16 -0.55 8.40 8.09 2dc0B1 ALA 1344 HA 0.02 -0.04 0.45 -0.75 4.34 4.01 2dc0B1 ALA 1344 HB3 0.03 0.03 0.06 -0.04 1.41 1.49 2dc0B1 LEU 1345 H 0.02 0.49 -0.21 -0.55 8.37 8.12 2dc0B1 LEU 1345 HA 0.01 0.03 0.39 -0.75 4.35 4.03 2dc0B1 LEU 1345 HB2 0.03 0.09 0.05 -0.04 1.64 1.77 2dc0B1 LEU 1345 HB3 0.02 -0.07 -0.05 -0.04 1.64 1.50 2dc0B1 LEU 1345 HG 0.03 -0.01 -0.15 -0.04 1.64 1.47 2dc0B1 LEU 1345 HD13 0.05 -0.03 -0.27 -0.04 0.93 0.64 2dc0B1 LEU 1345 HD23 0.00 -0.01 -0.18 -0.04 0.89 0.66 2dc0B1 ARG 1346 H 0.01 0.30 -0.33 -0.55 8.46 7.89 2dc0B1 ARG 1346 HA -0.00 -0.06 0.48 -0.75 4.34 4.00 2dc0B1 ARG 1346 HB2 0.01 0.07 0.14 -0.04 1.90 2.08 2dc0B1 ARG 1346 HB3 0.00 0.15 0.21 -0.04 1.80 2.12 2dc0B1 ARG 1346 HG2 -0.00 0.00 -0.18 -0.04 1.67 1.45 2dc0B1 ARG 1346 HG3 -0.00 -0.06 0.03 -0.04 1.67 1.60 2dc0B1 ARG 1346 HD2 0.00 -0.03 -0.01 -0.04 3.22 3.14 2dc0B1 ARG 1346 HD3 0.00 0.01 0.01 -0.04 3.22 3.20 2dc0B1 GLY 1347 H -0.02 0.11 0.21 -0.55 8.43 8.19 2dc0B1 GLY 1347 HA2 -0.02 -0.08 0.36 -0.51 4.01 3.76 2dc0B1 GLY 1347 HA3 -0.02 0.16 0.72 -0.51 4.01 4.37 2dc0B1 VAL 1348 H -0.02 0.50 -0.24 -0.55 8.24 7.93 2dc0B1 VAL 1348 HA -0.08 0.13 0.87 -0.75 4.13 4.30 2dc0B1 VAL 1348 HB -0.04 0.01 0.00 -0.04 2.12 2.06 2dc0B1 VAL 1348 HG13 -0.01 -0.00 -0.32 -0.04 0.97 0.60 2dc0B1 VAL 1348 HG23 0.00 -0.00 -0.19 -0.04 0.95 0.71 2dc0B1 ASP 1349 H -0.19 0.66 0.39 -0.55 8.40 8.71 2dc0B1 ASP 1349 HA -0.10 0.06 0.67 -0.75 4.63 4.51 2dc0B1 ASP 1349 HB2 -0.40 0.08 0.17 -0.04 2.71 2.52 2dc0B1 ASP 1349 HB3 -0.20 -0.04 0.07 -0.04 2.70 2.49 2dc0B1 ALA 1350 H -0.04 0.31 0.20 -0.55 8.40 8.32 2dc0B1 ALA 1350 HA 0.02 0.15 0.53 -0.75 4.34 4.28 2dc0B1 ALA 1350 HB3 0.12 0.01 -0.10 -0.04 1.41 1.41 2dc0B1 LEU 1351 H -0.01 0.55 0.34 -0.55 8.37 8.70 2dc0B1 LEU 1351 HA 0.06 0.25 0.92 -0.75 4.35 4.84 2dc0B1 LEU 1351 HB2 -0.15 -0.08 0.04 -0.04 1.64 1.41 2dc0B1 LEU 1351 HB3 -0.03 0.03 -0.01 -0.04 1.64 1.60 2dc0B1 LEU 1351 HG -0.02 0.02 -0.13 -0.04 1.64 1.47 2dc0B1 LEU 1351 HD13 0.01 -0.02 -0.15 -0.04 0.93 0.74 2dc0B1 LEU 1351 HD23 0.03 -0.00 -0.31 -0.04 0.89 0.57 2dc0B1 LEU 1352 H 0.07 0.65 0.36 -0.55 8.37 8.90 2dc0B1 LEU 1352 HA -0.06 0.44 1.04 -0.75 4.35 5.01 2dc0B1 LEU 1352 HB2 0.03 -0.03 0.01 -0.04 1.64 1.62 2dc0B1 LEU 1352 HB3 -0.00 -0.03 -0.06 -0.04 1.64 1.51 2dc0B1 LEU 1352 HG -0.17 -0.04 -0.29 -0.04 1.64 1.09 2dc0B1 LEU 1352 HD13 -0.79 -0.01 -0.14 -0.04 0.93 -0.05 2dc0B1 LEU 1352 HD23 -0.29 0.04 -0.04 -0.04 0.89 0.56 2dc0B1 LEU 1353 H -0.09 0.52 0.26 -0.55 8.37 8.52 2dc0B1 LEU 1353 HA -0.53 0.05 0.44 -0.75 4.35 3.55 2dc0B1 LEU 1353 HB2 -0.13 0.01 0.07 -0.04 1.64 1.56 2dc0B1 LEU 1353 HB3 -0.01 0.06 -0.07 -0.04 1.64 1.58 2dc0B1 LEU 1353 HG -0.02 0.05 -0.21 -0.04 1.64 1.42 2dc0B1 LEU 1353 HD13 0.32 0.02 -0.07 -0.04 0.93 1.16 2dc0B1 LEU 1353 HD23 -0.19 -0.02 -0.29 -0.04 0.89 0.34 2dc0B1 PRO 1354 HA -0.14 0.13 0.62 -0.51 4.44 4.54 2dc0B1 PRO 1354 HB2 -0.10 0.04 -0.06 -0.04 2.28 2.12 2dc0B1 PRO 1354 HB3 0.04 0.08 0.14 -0.04 2.02 2.25 2dc0B1 PRO 1354 HG2 -0.38 -0.01 -0.00 -0.04 2.03 1.60 2dc0B1 PRO 1354 HG3 -0.54 0.03 0.03 -0.04 2.03 1.52 2dc0B1 PRO 1354 HD2 -0.50 0.11 0.12 -0.04 3.68 3.37 2dc0B1 PRO 1354 HD3 -1.83 0.11 0.15 -0.04 3.65 2.03 2dc0B1 VAL 1355 H 0.09 0.59 0.17 -0.55 8.24 8.54 2dc0B1 VAL 1355 HA 0.07 0.17 0.50 -0.75 4.13 4.11 2dc0B1 VAL 1355 HB 0.08 -0.01 -0.33 -0.04 2.12 1.81 2dc0B1 VAL 1355 HG13 0.16 0.04 -0.16 -0.04 0.97 0.97 2dc0B1 VAL 1355 HG23 0.08 0.01 -0.17 -0.04 0.95 0.83 2dc0B1 GLN 1356 H 0.11 0.16 -0.03 -0.55 8.47 8.17 2dc0B1 GLN 1356 HA 0.19 0.22 0.71 -0.75 4.36 4.73 2dc0B1 GLN 1356 HB2 0.47 0.10 0.08 -0.04 2.15 2.75 2dc0B1 GLN 1356 HB3 0.43 0.05 -0.14 -0.04 2.02 2.32 2dc0B1 GLN 1356 HG2 0.20 -0.14 0.06 -0.04 2.40 2.47 2dc0B1 GLN 1356 HG3 0.16 -0.02 -0.20 -0.04 2.39 2.28 2dc0B1 GLN 1356 HE21 0.01 0.13 -0.07 -0.04 6.97 7.00 2dc0B1 GLN 1356 HE22 0.03 0.50 0.09 -0.04 7.69 8.28 2dc0B1 PRO 1357 HA -0.07 0.04 0.71 -0.51 4.44 4.62 2dc0B1 PRO 1357 HB2 -0.22 -0.16 0.03 -0.04 2.28 1.89 2dc0B1 PRO 1357 HB3 -0.20 0.39 0.25 -0.04 2.02 2.43 2dc0B1 PRO 1357 HG2 -0.74 -0.04 -0.07 -0.04 2.03 1.14 2dc0B1 PRO 1357 HG3 -0.64 0.22 -0.07 -0.04 2.03 1.50 2dc0B1 PRO 1357 HD2 -0.16 0.10 0.22 -0.04 3.68 3.79 2dc0B1 PRO 1357 HD3 -0.15 0.23 0.18 -0.04 3.65 3.87 2dc0B1 LEU 1358 H 0.06 0.31 -0.07 -0.55 8.37 8.12 2dc0B1 LEU 1358 HA 0.00 -0.00 0.59 -0.75 4.35 4.19 2dc0B1 LEU 1358 HB2 0.10 0.02 -0.09 -0.04 1.64 1.63 2dc0B1 LEU 1358 HB3 0.03 0.12 0.07 -0.04 1.64 1.81 2dc0B1 LEU 1358 HG -0.10 0.01 -0.52 -0.04 1.64 0.99 2dc0B1 LEU 1358 HD13 -0.12 0.02 -0.16 -0.04 0.93 0.62 2dc0B1 LEU 1358 HD23 -0.02 0.01 0.10 -0.04 0.89 0.94 2dc0B1 PRO 1359 HA -0.12 0.21 0.51 -0.51 4.44 4.54 2dc0B1 PRO 1359 HB2 -0.10 0.16 0.03 -0.04 2.28 2.33 2dc0B1 PRO 1359 HB3 -0.06 -0.04 0.07 -0.04 2.02 1.95 2dc0B1 PRO 1359 HG2 -0.05 0.06 -0.07 -0.04 2.03 1.93 2dc0B1 PRO 1359 HG3 -0.04 0.04 0.01 -0.04 2.03 2.00 2dc0B1 PRO 1359 HD2 -0.01 -0.00 0.18 -0.04 3.68 3.81 2dc0B1 PRO 1359 HD3 -0.02 0.03 0.07 -0.04 3.65 3.69 2dc0B1 ALA 1360 H -0.41 0.25 0.18 -0.55 8.40 7.87 2dc0B1 ALA 1360 HA -1.38 -0.01 0.37 -0.75 4.34 2.57 2dc0B1 ALA 1360 HB3 -0.33 0.05 0.14 -0.04 1.41 1.22 2dc0B1 PRO 1361 HA -0.02 0.11 0.48 -0.51 4.44 4.50 2dc0B1 PRO 1361 HB2 0.10 -0.00 0.03 -0.04 2.28 2.36 2dc0B1 PRO 1361 HB3 0.09 -0.03 0.11 -0.04 2.02 2.15 2dc0B1 PRO 1361 HG2 -0.02 -0.06 0.00 -0.04 2.03 1.91 2dc0B1 PRO 1361 HG3 0.18 0.10 0.01 -0.04 2.03 2.28 2dc0B1 PRO 1361 HD2 -0.18 0.00 0.17 -0.04 3.68 3.63 2dc0B1 PRO 1361 HD3 -0.74 0.16 0.13 -0.04 3.65 3.16 2dc0B1 PRO 1362 HA 0.00 0.18 0.58 -0.51 4.44 4.70 2dc0B1 PRO 1362 HB2 0.02 -0.03 0.01 -0.04 2.28 2.24 2dc0B1 PRO 1362 HB3 0.01 0.08 0.13 -0.04 2.02 2.19 2dc0B1 PRO 1362 HG2 0.01 -0.01 0.08 -0.04 2.03 2.07 2dc0B1 PRO 1362 HG3 0.00 0.08 0.07 -0.04 2.03 2.14 2dc0B1 PRO 1362 HD2 0.03 0.02 0.21 -0.04 3.68 3.90 2dc0B1 PRO 1362 HD3 0.00 0.15 0.21 -0.04 3.65 3.98 2dc0B1 LEU 1363 H 0.01 0.72 0.31 -0.55 8.37 8.87 2dc0B1 LEU 1363 HA 0.02 -0.05 0.37 -0.75 4.35 3.94 2dc0B1 LEU 1363 HB2 0.01 0.05 0.10 -0.04 1.64 1.76 2dc0B1 LEU 1363 HB3 0.01 -0.06 -0.06 -0.04 1.64 1.49 2dc0B1 LEU 1363 HG 0.02 -0.01 -0.56 -0.04 1.64 1.04 2dc0B1 LEU 1363 HD13 0.02 0.02 -0.08 -0.04 0.93 0.85 2dc0B1 LEU 1363 HD23 0.02 -0.01 -0.13 -0.04 0.89 0.73 2dc0B1 GLY 1364 H 0.00 0.09 0.14 -0.55 8.43 8.12 2dc0B1 GLY 1364 HA2 -0.01 -0.05 0.29 -0.51 4.01 3.73 2dc0B1 GLY 1364 HA3 0.01 0.17 0.63 -0.51 4.01 4.31 2dc0B1 THR 1365 H 0.05 0.46 -0.14 -0.55 8.28 8.09 2dc0B1 THR 1365 HA 0.06 0.01 0.48 -0.75 4.39 4.18 2dc0B1 THR 1365 HB 0.17 -0.03 0.08 -0.04 4.32 4.50 2dc0B1 THR 1365 HG23 0.13 -0.05 -0.11 -0.04 1.22 1.14 2dc0B1 GLU 1366 H 0.07 0.13 0.28 -0.55 8.60 8.53 2dc0B1 GLU 1366 HA 0.09 0.13 0.88 -0.75 4.29 4.63 2dc0B1 GLU 1366 HB2 0.04 0.02 0.11 -0.04 2.09 2.22 2dc0B1 GLU 1366 HB3 0.05 -0.08 0.11 -0.04 1.99 2.03 2dc0B1 GLU 1366 HG2 0.01 -0.03 -0.09 -0.04 2.34 2.19 2dc0B1 GLU 1366 HG3 0.02 0.26 0.01 -0.04 2.34 2.60 2dc0B1 GLU 1367 H 0.08 0.16 0.17 -0.55 8.60 8.47 2dc0B1 GLU 1367 HA 0.08 0.20 0.97 -0.75 4.29 4.79 2dc0B1 GLU 1367 HB2 0.04 -0.05 0.06 -0.04 2.09 2.10 2dc0B1 GLU 1367 HB3 0.03 0.05 -0.08 -0.04 1.99 1.95 2dc0B1 GLU 1367 HG2 0.04 0.04 -0.14 -0.04 2.34 2.23 2dc0B1 GLU 1367 HG3 0.04 -0.04 -0.19 -0.04 2.34 2.11 2dc0B1 VAL 1368 H 0.03 0.57 0.25 -0.55 8.24 8.55 2dc0B1 VAL 1368 HA 0.04 0.21 0.92 -0.75 4.13 4.54 2dc0B1 VAL 1368 HB -0.01 0.03 -0.02 -0.04 2.12 2.07 2dc0B1 VAL 1368 HG13 0.21 0.00 -0.27 -0.04 0.97 0.87 2dc0B1 VAL 1368 HG23 -0.14 0.01 -0.23 -0.04 0.95 0.55 2dc0B1 GLU 1369 H -0.01 0.19 0.11 -0.55 8.60 8.34 2dc0B1 GLU 1369 HA -0.03 0.11 0.81 -0.75 4.29 4.43 2dc0B1 GLU 1369 HB2 -0.01 -0.02 0.17 -0.04 2.09 2.19 2dc0B1 GLU 1369 HB3 -0.02 0.06 -0.03 -0.04 1.99 1.96 2dc0B1 GLU 1369 HG2 -0.00 -0.04 -0.13 -0.04 2.34 2.12 2dc0B1 GLU 1369 HG3 -0.01 0.02 -0.01 -0.04 2.34 2.31 2dc0B1 LEU 1370 H -0.06 0.55 0.12 -0.55 8.37 8.43 2dc0B1 LEU 1370 HA -0.08 0.12 0.68 -0.75 4.35 4.32 2dc0B1 LEU 1370 HB2 -0.08 0.20 0.05 -0.04 1.64 1.77 2dc0B1 LEU 1370 HB3 -0.10 0.05 -0.04 -0.04 1.64 1.52 2dc0B1 LEU 1370 HG -0.12 -0.08 -0.22 -0.04 1.64 1.18 2dc0B1 LEU 1370 HD13 -0.15 0.02 -0.07 -0.04 0.93 0.69 2dc0B1 LEU 1370 HD23 -0.20 0.02 -0.33 -0.04 0.89 0.34 2dc0B1 GLU 1371 H -0.06 0.74 0.24 -0.55 8.60 8.98 2dc0B1 GLU 1371 HA -0.03 0.01 0.42 -0.75 4.29 3.94 2dc0B1 GLU 1371 HB2 -0.02 -0.02 0.10 -0.04 2.09 2.10 2dc0B1 GLU 1371 HB3 -0.02 0.01 0.01 -0.04 1.99 1.94 2dc0B1 GLU 1371 HG2 -0.05 0.04 0.03 -0.04 2.34 2.31 2dc0B1 GLU 1371 HG3 -0.03 -0.02 -0.14 -0.04 2.34 2.11 2dc0B1 SER 1372 H -0.05 0.13 -0.39 -0.55 8.46 7.60 2dc0B1 SER 1372 HA -0.03 0.17 0.86 -0.75 4.49 4.74 2dc0B1 SER 1372 HB2 -0.05 -0.03 0.17 -0.04 3.95 4.00 2dc0B1 SER 1372 HB3 -0.05 -0.12 0.09 -0.04 3.93 3.81 2dc0B1 GLY 1373 H -0.04 0.40 -0.26 -0.55 8.43 7.98 2dc0B1 GLY 1373 HA2 -0.03 -0.02 0.29 -0.51 4.01 3.75 2dc0B1 GLY 1373 HA3 -0.03 0.24 0.91 -0.51 4.01 4.61 2dc0B1 ARG 1374 H -0.02 0.09 0.17 -0.55 8.46 8.14 2dc0B1 ARG 1374 HA -0.03 0.22 0.72 -0.75 4.34 4.50 2dc0B1 ARG 1374 HB2 -0.01 -0.03 0.10 -0.04 1.90 1.92 2dc0B1 ARG 1374 HB3 -0.01 0.01 0.01 -0.04 1.80 1.78 2dc0B1 ARG 1374 HG2 -0.01 0.02 -0.06 -0.04 1.67 1.58 2dc0B1 ARG 1374 HG3 -0.01 -0.05 0.07 -0.04 1.67 1.64 2dc0B1 ARG 1374 HD2 -0.00 0.00 -0.02 -0.04 3.22 3.16 2dc0B1 ARG 1374 HD3 -0.00 -0.01 -0.01 -0.04 3.22 3.16 2dc0B1 LYS 1375 H -0.03 0.54 0.39 -0.55 8.42 8.77 2dc0B1 LYS 1375 HA -0.03 0.12 0.77 -0.75 4.32 4.42 2dc0B1 LYS 1375 HB2 -0.08 0.11 -0.27 -0.04 1.87 1.58 2dc0B1 LYS 1375 HB3 -0.09 -0.01 -0.08 -0.04 1.79 1.57 2dc0B1 LYS 1375 HG2 -0.12 0.05 -0.09 -0.04 1.46 1.25 2dc0B1 LYS 1375 HG3 -0.08 -0.19 0.09 -0.04 1.46 1.24 2dc0B1 LYS 1375 HD2 -0.06 0.03 0.12 -0.04 1.69 1.74 2dc0B1 LYS 1375 HD3 -0.08 0.09 -0.09 -0.04 1.68 1.55 2dc0B1 LYS 1375 HE2 -0.12 -0.10 0.02 -0.04 2.99 2.75 2dc0B1 LYS 1375 HE3 -0.09 0.02 -0.01 -0.04 2.99 2.87 2dc0B1 GLY 1376 H -0.01 0.12 0.16 -0.55 8.43 8.15 2dc0B1 GLY 1376 HA2 0.07 0.22 0.67 -0.51 4.01 4.45 2dc0B1 GLY 1376 HA3 0.05 -0.01 0.39 -0.51 4.01 3.93 2dc0B1 HIS 1377 H 0.21 0.63 0.28 -0.55 8.41 8.99 2dc0B1 HIS 1377 HA 0.24 0.08 0.25 -0.75 4.63 4.45 2dc0B1 HIS 1377 HB2 0.13 0.13 -0.00 -0.04 3.26 3.48 2dc0B1 HIS 1377 HB3 0.12 -0.14 0.16 -0.04 3.20 3.30 2dc0B1 HIS 1377 HD2 0.13 0.14 -0.07 -0.04 6.97 7.12 2dc0B1 HIS 1377 HE1 -0.10 0.03 -0.24 -0.04 7.75 7.40 2dc0B1 ARG 1378 H 0.26 0.12 -0.06 -0.55 8.46 8.24 2dc0B1 ARG 1378 HA 0.32 0.06 0.29 -0.75 4.34 4.26 2dc0B1 ARG 1378 HB2 0.16 0.01 0.08 -0.04 1.90 2.11 2dc0B1 ARG 1378 HB3 0.18 -0.04 0.07 -0.04 1.80 1.96 2dc0B1 ARG 1378 HG2 0.25 0.03 -0.31 -0.04 1.67 1.60 2dc0B1 ARG 1378 HG3 0.15 -0.02 -0.05 -0.04 1.67 1.71 2dc0B1 ARG 1378 HD2 0.09 -0.01 -0.03 -0.04 3.22 3.23 2dc0B1 ARG 1378 HD3 0.14 0.01 -0.05 -0.04 3.22 3.28 2dc0B1 GLU 1379 H 0.12 0.07 -0.21 -0.55 8.60 8.03 2dc0B1 GLU 1379 HA 0.14 0.03 0.38 -0.75 4.29 4.09 2dc0B1 GLU 1379 HB2 -0.06 -0.07 0.09 -0.04 2.09 2.01 2dc0B1 GLU 1379 HB3 -0.12 0.08 0.03 -0.04 1.99 1.93 2dc0B1 GLU 1379 HG2 -0.42 0.08 -0.03 -0.04 2.34 1.92 2dc0B1 GLU 1379 HG3 -1.30 -0.04 0.06 -0.04 2.34 1.02 2dc0B1 ALA 1380 H -0.03 0.48 -0.25 -0.55 8.40 8.05 2dc0B1 ALA 1380 HA -0.20 0.09 0.44 -0.75 4.34 3.92 2dc0B1 ALA 1380 HB3 -0.30 -0.00 -0.05 -0.04 1.41 1.01 2dc0B1 PHE 1381 H 0.08 0.48 -0.10 -0.55 8.34 8.26 2dc0B1 PHE 1381 HA 0.01 0.20 0.88 -0.75 4.62 4.95 2dc0B1 PHE 1381 HB2 -0.04 0.01 0.02 -0.04 3.15 3.10 2dc0B1 PHE 1381 HB3 0.03 -0.01 0.07 -0.04 3.06 3.10 2dc0B1 PHE 1381 HD2 -0.29 0.05 0.03 -0.04 7.28 7.03 2dc0B1 PHE 1381 HE2 -0.15 0.06 -0.07 -0.04 7.38 7.18 2dc0B1 PHE 1381 HZ -0.12 0.08 -0.12 -0.04 7.32 7.12 2dc0B1 ILE 1382 H 0.12 0.34 -0.03 -0.55 8.25 8.13 2dc0B1 ILE 1382 HA 0.06 0.25 1.04 -0.75 4.18 4.77 2dc0B1 ILE 1382 HB 0.12 -0.02 0.02 -0.04 1.89 1.97 2dc0B1 ILE 1382 HG12 -0.03 -0.08 -0.03 -0.04 1.49 1.32 2dc0B1 ILE 1382 HG13 -0.14 0.04 0.16 -0.04 1.21 1.22 2dc0B1 ILE 1382 HG23 0.18 0.00 -0.13 -0.04 0.93 0.94 2dc0B1 ILE 1382 HD13 0.00 -0.05 -0.14 -0.04 0.88 0.65 2dc0B1 THR 1383 H 0.06 0.32 0.01 -0.55 8.28 8.12 2dc0B1 THR 1383 HA 0.12 -0.03 0.37 -0.75 4.39 4.09 2dc0B1 THR 1383 HB -0.08 0.11 0.08 -0.04 4.32 4.39 2dc0B1 THR 1383 HG23 -0.07 -0.01 -0.06 -0.04 1.22 1.04 2dc0B1 LEU 1384 H 0.03 0.15 -0.37 -0.55 8.37 7.63 2dc0B1 LEU 1384 HA 0.30 0.09 0.36 -0.75 4.35 4.34 2dc0B1 LEU 1384 HB2 0.08 0.07 -0.18 -0.04 1.64 1.56 2dc0B1 LEU 1384 HB3 0.12 0.14 -0.11 -0.04 1.64 1.74 2dc0B1 LEU 1384 HG -0.06 0.01 -0.07 -0.04 1.64 1.48 2dc0B1 LEU 1384 HD13 -0.04 0.02 -0.37 -0.04 0.93 0.50 2dc0B1 LEU 1384 HD23 -0.05 -0.00 -0.14 -0.04 0.89 0.66 2dc0B1 THR 1385 H 0.05 0.18 -0.36 -0.55 8.28 7.60 2dc0B1 THR 1385 HA 0.21 0.23 0.96 -0.75 4.39 5.04 2dc0B1 THR 1385 HB 0.03 -0.19 -0.03 -0.04 4.32 4.09 2dc0B1 THR 1385 HG23 0.08 0.00 -0.07 -0.04 1.22 1.20 2dc0B1 LEU 1386 H -0.13 0.57 0.14 -0.55 8.37 8.41 2dc0B1 LEU 1386 HA -0.28 -0.07 0.35 -0.75 4.35 3.60 2dc0B1 LEU 1386 HB2 -1.13 -0.09 0.09 -0.04 1.64 0.47 2dc0B1 LEU 1386 HB3 -0.66 0.04 0.18 -0.04 1.64 1.16 2dc0B1 LEU 1386 HG -0.12 0.20 0.07 -0.04 1.64 1.76 2dc0B1 LEU 1386 HD13 -0.12 -0.02 -0.28 -0.04 0.93 0.48 2dc0B1 LEU 1386 HD23 -0.18 -0.05 -0.13 -0.04 0.89 0.49 2dc0B1 PRO 1387 HA -0.26 0.03 0.41 -0.51 4.44 4.11 2dc0B1 PRO 1387 HB2 -1.51 0.07 -0.07 -0.04 2.28 0.73 2dc0B1 PRO 1387 HB3 -0.54 -0.02 0.01 -0.04 2.02 1.43 2dc0B1 PRO 1387 HG2 -0.42 0.14 -0.03 -0.04 2.03 1.68 2dc0B1 PRO 1387 HG3 -0.16 -0.08 -0.02 -0.04 2.03 1.73 2dc0B1 PRO 1387 HD2 -0.43 0.20 -0.51 -0.04 3.68 2.90 2dc0B1 PRO 1387 HD3 -0.13 0.15 -0.10 -0.04 3.65 3.52 2dc0B1 PHE 1388 H -0.66 0.39 -0.28 -0.55 8.34 7.24 2dc0B1 PHE 1388 HA -0.05 0.03 0.44 -0.75 4.62 4.29 2dc0B1 PHE 1388 HB2 -0.08 0.08 -0.03 -0.04 3.15 3.07 2dc0B1 PHE 1388 HB3 -0.07 0.07 -0.04 -0.04 3.06 2.98 2dc0B1 PHE 1388 HD2 -0.06 0.03 -0.07 -0.04 7.28 7.14 2dc0B1 PHE 1388 HE2 -0.10 0.14 -0.06 -0.04 7.38 7.32 2dc0B1 PHE 1388 HZ -0.26 -0.01 -0.10 -0.04 7.32 6.91 2dc0B1 SER 1389 H -0.05 0.23 -0.23 -0.55 8.46 7.87 2dc0B1 SER 1389 HA -0.20 0.15 0.54 -0.75 4.49 4.23 2dc0B1 SER 1389 HB2 0.06 0.21 -0.10 -0.04 3.95 4.08 2dc0B1 SER 1389 HB3 -0.15 -0.14 -0.21 -0.04 3.93 3.38 2dc0B1 LEU 1390 H -0.00 0.52 -0.05 -0.55 8.37 8.28 2dc0B1 LEU 1390 HA 0.14 0.03 0.43 -0.75 4.35 4.20 2dc0B1 LEU 1390 HB2 0.17 -0.03 0.14 -0.04 1.64 1.88 2dc0B1 LEU 1390 HB3 -0.01 0.09 0.17 -0.04 1.64 1.84 2dc0B1 LEU 1390 HG 0.03 0.04 -0.21 -0.04 1.64 1.45 2dc0B1 LEU 1390 HD13 0.10 -0.02 0.01 -0.04 0.93 0.97 2dc0B1 LEU 1390 HD23 0.03 -0.03 -0.04 -0.04 0.89 0.82 2dc0B1 LEU 1391 H 0.02 0.37 -0.27 -0.55 8.37 7.94 2dc0B1 LEU 1391 HA 0.06 0.13 0.68 -0.75 4.35 4.46 2dc0B1 LEU 1391 HB2 0.06 0.02 0.05 -0.04 1.64 1.73 2dc0B1 LEU 1391 HB3 0.08 -0.08 0.13 -0.04 1.64 1.73 2dc0B1 LEU 1391 HG -0.05 0.20 0.05 -0.04 1.64 1.80 2dc0B1 LEU 1391 HD13 -0.03 -0.04 -0.07 -0.04 0.93 0.75 2dc0B1 LEU 1391 HD23 -0.00 -0.01 -0.13 -0.04 0.89 0.71 2dc0B1 GLY 1392 H 0.14 0.24 -0.66 -0.55 8.43 7.61 2dc0B1 GLY 1392 HA2 0.41 0.11 0.33 -0.51 4.01 4.36 2dc0B1 GLY 1392 HA3 0.19 -0.03 0.37 -0.51 4.01 4.02 2dc0B1 VAL 1393 H 0.07 0.16 -0.20 -0.55 8.24 7.72 2dc0B1 VAL 1393 HA -0.23 -0.04 0.58 -0.75 4.13 3.70 2dc0B1 VAL 1393 HB 0.03 0.43 0.01 -0.04 2.12 2.55 2dc0B1 VAL 1393 HG13 0.15 -0.04 -0.03 -0.04 0.97 1.00 2dc0B1 VAL 1393 HG23 0.16 -0.03 -0.05 -0.04 0.95 1.00 2dc0B1 PRO 1394 HA -0.17 0.33 0.30 -0.51 4.44 4.39 2dc0B1 PRO 1394 HB2 0.23 0.02 -0.11 -0.04 2.28 2.38 2dc0B1 PRO 1394 HB3 0.06 -0.17 0.04 -0.04 2.02 1.91 2dc0B1 PRO 1394 HG2 0.05 0.01 -0.09 -0.04 2.03 1.95 2dc0B1 PRO 1394 HG3 0.06 -0.20 -0.17 -0.04 2.03 1.68 2dc0B1 PRO 1394 HD2 -0.03 0.20 -0.22 -0.04 3.68 3.59 2dc0B1 PRO 1394 HD3 -0.14 -0.12 0.23 -0.04 3.65 3.58 2dc0B1 THR 1395 H -0.23 0.69 0.28 -0.55 8.28 8.47 2dc0B1 THR 1395 HA 0.01 0.32 1.03 -0.75 4.39 5.00 2dc0B1 THR 1395 HB -0.07 -0.09 0.03 -0.04 4.32 4.15 2dc0B1 THR 1395 HG23 -0.10 -0.01 -0.24 -0.04 1.22 0.83 2dc0B1 LEU 1396 H 0.11 0.58 0.30 -0.55 8.37 8.82 2dc0B1 LEU 1396 HA 0.32 0.14 0.95 -0.75 4.35 5.01 2dc0B1 LEU 1396 HB2 0.26 -0.06 -0.10 -0.04 1.64 1.70 2dc0B1 LEU 1396 HB3 0.12 0.03 0.09 -0.04 1.64 1.84 2dc0B1 LEU 1396 HG 0.09 0.07 -0.44 -0.04 1.64 1.32 2dc0B1 LEU 1396 HD13 0.09 -0.00 -0.17 -0.04 0.93 0.80 2dc0B1 LEU 1396 HD23 0.02 -0.01 -0.12 -0.04 0.89 0.74 2dc0B1 ALA 1397 H 0.13 0.64 0.33 -0.55 8.40 8.95 2dc0B1 ALA 1397 HA 0.06 0.39 0.98 -0.75 4.34 5.01 2dc0B1 ALA 1397 HB3 0.07 -0.04 0.07 -0.04 1.41 1.47 2dc0B1 LEU 1398 H 0.08 0.53 0.27 -0.55 8.37 8.71 2dc0B1 LEU 1398 HA 0.08 0.22 0.59 -0.75 4.35 4.49 2dc0B1 LEU 1398 HB2 0.07 0.13 -0.03 -0.04 1.64 1.77 2dc0B1 LEU 1398 HB3 0.07 -0.07 -0.11 -0.04 1.64 1.49 2dc0B1 LEU 1398 HG 0.06 -0.07 -0.24 -0.04 1.64 1.35 2dc0B1 LEU 1398 HD13 0.06 0.05 -0.15 -0.04 0.93 0.86 2dc0B1 LEU 1398 HD23 0.06 0.00 -0.08 -0.04 0.89 0.83 2dc0B1 PRO 1399 HA 0.13 0.04 0.48 -0.51 4.44 4.58 2dc0B1 PRO 1399 HB2 0.05 0.04 -0.02 -0.04 2.28 2.31 2dc0B1 PRO 1399 HB3 0.04 0.04 0.02 -0.04 2.02 2.07 2dc0B1 PRO 1399 HG2 0.04 0.23 -0.24 -0.04 2.03 2.03 2dc0B1 PRO 1399 HG3 0.06 0.00 -0.26 -0.04 2.03 1.80 2dc0B1 PRO 1399 HD2 0.06 0.07 0.01 -0.04 3.68 3.78 2dc0B1 PRO 1399 HD3 0.07 0.22 -0.19 -0.04 3.65 3.72 2dc0B1 PHE 1400 H 0.12 0.38 0.42 -0.55 8.34 8.71 2dc0B1 PHE 1400 HA 0.02 0.17 0.83 -0.75 4.62 4.88 2dc0B1 PHE 1400 HB2 0.03 0.00 0.03 -0.04 3.15 3.17 2dc0B1 PHE 1400 HB3 0.04 0.02 -0.21 -0.04 3.06 2.87 2dc0B1 PHE 1400 HD2 0.05 -0.01 -0.29 -0.04 7.28 6.99 2dc0B1 PHE 1400 HE2 0.09 0.05 -0.36 -0.04 7.38 7.11 2dc0B1 PHE 1400 HZ 0.15 -0.05 -0.17 -0.04 7.32 7.21 2dc0B1 ALA 1401 H -0.36 0.30 0.34 -0.55 8.40 8.13 2dc0B1 ALA 1401 HA -0.24 0.14 0.52 -0.75 4.34 4.00 2dc0B1 ALA 1401 HB3 -0.75 0.02 -0.08 -0.04 1.41 0.56 2dc0B1 LYS 1402 H -0.16 0.26 0.17 -0.55 8.42 8.13 2dc0B1 LYS 1402 HA -0.10 0.19 0.76 -0.75 4.32 4.42 2dc0B1 LYS 1402 HB2 -0.06 -0.01 0.00 -0.04 1.87 1.75 2dc0B1 LYS 1402 HB3 -0.05 -0.14 -0.09 -0.04 1.79 1.47 2dc0B1 LYS 1402 HG2 -0.05 0.12 -0.20 -0.04 1.46 1.29 2dc0B1 LYS 1402 HG3 -0.07 -0.02 -0.45 -0.04 1.46 0.88 2dc0B1 LYS 1402 HD2 -0.04 -0.05 -0.10 -0.04 1.69 1.46 2dc0B1 LYS 1402 HD3 -0.03 -0.01 -0.12 -0.04 1.68 1.48 2dc0B1 LYS 1402 HE2 -0.03 0.05 -0.11 -0.04 2.99 2.86 2dc0B1 LYS 1402 HE3 -0.02 -0.00 -0.06 -0.04 2.99 2.87 2dc0B1 VAL 1403 H -0.06 0.36 -0.01 -0.55 8.24 7.98 2dc0B1 VAL 1403 HA -0.05 0.15 0.88 -0.75 4.13 4.36 2dc0B1 VAL 1403 HB -0.04 0.08 0.07 -0.04 2.12 2.18 2dc0B1 VAL 1403 HG13 -0.02 -0.01 -0.12 -0.04 0.97 0.78 2dc0B1 VAL 1403 HG23 -0.05 -0.01 -0.30 -0.04 0.95 0.55 2dc0B1 GLU 1404 H -0.03 0.17 0.03 -0.55 8.60 8.23 2dc0B1 GLU 1404 HA -0.02 0.02 0.35 -0.75 4.29 3.89 2dc0B1 GLU 1404 HB2 -0.02 0.29 -0.04 -0.04 2.09 2.28 2dc0B1 GLU 1404 HB3 -0.02 0.02 0.20 -0.04 1.99 2.16 2dc0B1 GLU 1404 HG2 -0.01 0.01 0.01 -0.04 2.34 2.31 2dc0B1 GLU 1404 HG3 -0.02 -0.11 -0.13 -0.04 2.34 2.05 2dc0B1 GLY 1405 H -0.03 -0.02 -0.41 -0.55 8.43 7.42 2dc0B1 GLY 1405 HA2 -0.02 0.04 0.07 -0.51 4.01 3.58 2dc0B1 GLY 1405 HA3 -0.02 0.18 0.07 -0.51 4.01 3.73 2dc0B1 PRO 1407 HA -0.04 -0.03 0.33 -0.51 4.44 4.19 2dc0B1 PRO 1407 HB2 0.03 0.16 -0.09 -0.04 2.28 2.34 2dc0B1 PRO 1407 HB3 0.01 -0.05 0.03 -0.04 2.02 1.97 2dc0B1 PRO 1407 HG2 0.01 0.05 -0.16 -0.04 2.03 1.88 2dc0B1 PRO 1407 HG3 -0.01 -0.01 0.09 -0.04 2.03 2.07 2dc0B1 PRO 1407 HD2 -0.02 0.12 0.11 -0.04 3.68 3.84 2dc0B1 PRO 1407 HD3 -0.02 0.05 -0.11 -0.04 3.65 3.52 2dc0B1 VAL 1408 H -0.07 0.52 0.27 -0.55 8.24 8.42 2dc0B1 VAL 1408 HA 0.06 0.16 0.74 -0.75 4.13 4.34 2dc0B1 VAL 1408 HB -0.26 -0.07 -0.14 -0.04 2.12 1.61 2dc0B1 VAL 1408 HG13 0.18 -0.00 -0.19 -0.04 0.97 0.92 2dc0B1 VAL 1408 HG23 -0.04 -0.02 -0.34 -0.04 0.95 0.51 2dc0B1 GLY 1409 H 0.19 0.11 0.07 -0.55 8.43 8.25 2dc0B1 GLY 1409 HA2 0.25 0.19 0.73 -0.51 4.01 4.67 2dc0B1 GLY 1409 HA3 0.18 0.03 0.21 -0.51 4.01 3.92 2dc0B1 LEU 1410 H 0.17 0.80 0.33 -0.55 8.37 9.13 2dc0B1 LEU 1410 HA -0.10 0.05 0.92 -0.75 4.35 4.46 2dc0B1 LEU 1410 HB2 -0.47 -0.05 -0.12 -0.04 1.64 0.96 2dc0B1 LEU 1410 HB3 -0.01 0.08 -0.00 -0.04 1.64 1.66 2dc0B1 LEU 1410 HG -0.14 0.14 -0.33 -0.04 1.64 1.27 2dc0B1 LEU 1410 HD13 -0.37 -0.02 -0.20 -0.04 0.93 0.30 2dc0B1 LEU 1410 HD23 -0.19 -0.01 -0.17 -0.04 0.89 0.48 2dc0B1 GLN 1411 H -0.10 0.84 0.29 -0.55 8.47 8.96 2dc0B1 GLN 1411 HA -0.02 0.34 1.00 -0.75 4.36 4.93 2dc0B1 GLN 1411 HB2 -0.09 0.15 0.02 -0.04 2.15 2.19 2dc0B1 GLN 1411 HB3 -0.15 -0.04 -0.14 -0.04 2.02 1.64 2dc0B1 GLN 1411 HG2 0.01 -0.02 -0.17 -0.04 2.40 2.18 2dc0B1 GLN 1411 HG3 0.02 -0.11 -0.33 -0.04 2.39 1.93 2dc0B1 GLN 1411 HE21 0.27 0.40 -0.15 -0.04 6.97 7.45 2dc0B1 GLN 1411 HE22 0.08 0.24 -0.20 -0.04 7.69 7.77 2dc0B1 VAL 1412 H -0.02 0.55 0.28 -0.55 8.24 8.50 2dc0B1 VAL 1412 HA -0.04 0.30 0.89 -0.75 4.13 4.53 2dc0B1 VAL 1412 HB 0.05 -0.13 0.16 -0.04 2.12 2.16 2dc0B1 VAL 1412 HG13 0.09 0.00 -0.15 -0.04 0.97 0.87 2dc0B1 VAL 1412 HG23 -0.01 0.01 -0.22 -0.04 0.95 0.69 2dc0B1 VAL 1413 H -0.11 0.65 0.23 -0.55 8.24 8.47 2dc0B1 VAL 1413 HA -0.13 0.27 1.03 -0.75 4.13 4.55 2dc0B1 VAL 1413 HB -0.30 -0.12 0.08 -0.04 2.12 1.74 2dc0B1 VAL 1413 HG13 -0.24 0.02 -0.20 -0.04 0.97 0.51 2dc0B1 VAL 1413 HG23 -0.99 0.01 -0.22 -0.04 0.95 -0.29 2dc0B1 GLY 1414 H -0.01 0.64 0.24 -0.55 8.43 8.75 2dc0B1 GLY 1414 HA2 0.01 0.21 0.98 -0.51 4.01 4.70 2dc0B1 GLY 1414 HA3 0.03 -0.01 0.33 -0.51 4.01 3.85 2dc0B1 ALA 1415 H 0.03 0.15 0.15 -0.55 8.40 8.19 2dc0B1 ALA 1415 HA 0.08 0.08 0.45 -0.75 4.34 4.20 2dc0B1 ALA 1415 HB3 0.06 0.02 0.09 -0.04 1.41 1.53 2dc0B1 TYR 1416 H 0.22 0.11 0.16 -0.55 8.29 8.23 2dc0B1 TYR 1416 HA 0.07 0.06 0.47 -0.75 4.56 4.40 2dc0B1 TYR 1416 HB2 0.04 0.00 0.18 -0.04 3.06 3.25 2dc0B1 TYR 1416 HB3 0.04 -0.02 0.07 -0.04 2.98 3.04 2dc0B1 TYR 1416 HD2 0.06 -0.00 -0.03 -0.04 7.15 7.13 2dc0B1 TYR 1416 HE2 0.07 0.10 0.03 -0.04 6.85 7.01 2dc0B1 GLY 1417 H -0.00 0.13 0.27 -0.55 8.43 8.28 2dc0B1 GLY 1417 HA2 0.12 0.01 0.44 -0.51 4.01 4.07 2dc0B1 GLY 1417 HA3 0.16 0.17 0.58 -0.51 4.01 4.41 2dc0B1 GLU 1418 H 0.08 0.70 -0.33 -0.55 8.60 8.50 2dc0B1 GLU 1418 HA 0.06 0.13 0.66 -0.75 4.29 4.38 2dc0B1 GLU 1418 HB2 0.05 0.14 0.12 -0.04 2.09 2.37 2dc0B1 GLU 1418 HB3 0.04 -0.12 0.24 -0.04 1.99 2.10 2dc0B1 GLU 1418 HG2 0.04 -0.00 -0.02 -0.04 2.34 2.31 2dc0B1 GLU 1418 HG3 0.06 0.13 -0.14 -0.04 2.34 2.35 2dc0B1 ASP 1419 H 0.11 0.28 -0.58 -0.55 8.40 7.65 2dc0B1 ASP 1419 HA 0.28 0.06 0.30 -0.75 4.63 4.52 2dc0B1 ASP 1419 HB2 0.15 0.06 0.06 -0.04 2.71 2.95 2dc0B1 ASP 1419 HB3 0.33 0.04 -0.02 -0.04 2.70 3.01 2dc0B1 GLY 1420 H 0.08 0.18 -0.15 -0.55 8.43 7.99 2dc0B1 GLY 1420 HA2 0.04 0.07 0.34 -0.51 4.01 3.95 2dc0B1 GLY 1420 HA3 0.04 0.29 0.25 -0.51 4.01 4.09 2dc0B1 LYS 1421 H 0.03 0.14 -0.23 -0.55 8.42 7.80 2dc0B1 LYS 1421 HA -0.02 0.03 0.48 -0.75 4.32 4.06 2dc0B1 LYS 1421 HB2 -0.00 -0.03 0.11 -0.04 1.87 1.91 2dc0B1 LYS 1421 HB3 0.02 0.11 0.15 -0.04 1.79 2.03 2dc0B1 LYS 1421 HG2 -0.02 0.06 -0.13 -0.04 1.46 1.33 2dc0B1 LYS 1421 HG3 -0.04 -0.04 0.05 -0.04 1.46 1.38 2dc0B1 LYS 1421 HD2 -0.03 -0.05 0.05 -0.04 1.69 1.62 2dc0B1 LYS 1421 HD3 -0.02 0.04 0.09 -0.04 1.68 1.75 2dc0B1 LYS 1421 HE2 -0.08 0.11 0.12 -0.04 2.99 3.10 2dc0B1 LYS 1421 HE3 -0.09 -0.04 0.04 -0.04 2.99 2.85 2dc0B1 VAL 1422 H 0.05 0.57 -0.09 -0.55 8.24 8.22 2dc0B1 VAL 1422 HA 0.05 0.07 0.31 -0.75 4.13 3.81 2dc0B1 VAL 1422 HB 0.14 0.06 0.03 -0.04 2.12 2.31 2dc0B1 VAL 1422 HG13 0.15 -0.02 -0.26 -0.04 0.97 0.80 2dc0B1 VAL 1422 HG23 0.08 0.06 -0.10 -0.04 0.95 0.95 2dc0B1 LEU 1423 H -0.07 0.54 -0.23 -0.55 8.37 8.06 2dc0B1 LEU 1423 HA -0.14 -0.00 0.38 -0.75 4.35 3.84 2dc0B1 LEU 1423 HB2 -0.10 0.15 0.10 -0.04 1.64 1.75 2dc0B1 LEU 1423 HB3 -0.12 -0.09 -0.03 -0.04 1.64 1.35 2dc0B1 LEU 1423 HG -0.67 0.08 -0.03 -0.04 1.64 0.98 2dc0B1 LEU 1423 HD13 -0.18 -0.02 -0.12 -0.04 0.93 0.56 2dc0B1 LEU 1423 HD23 -0.71 -0.02 -0.12 -0.04 0.89 -0.01 2dc0B1 ALA 1424 H -0.04 0.51 -0.20 -0.55 8.40 8.13 2dc0B1 ALA 1424 HA -0.01 -0.02 0.43 -0.75 4.34 3.99 2dc0B1 ALA 1424 HB3 -0.02 0.04 0.13 -0.04 1.41 1.51 2dc0B1 LEU 1425 H 0.02 0.73 -0.10 -0.55 8.37 8.48 2dc0B1 LEU 1425 HA 0.10 0.01 0.38 -0.75 4.35 4.09 2dc0B1 LEU 1425 HB2 0.10 0.11 0.07 -0.04 1.64 1.89 2dc0B1 LEU 1425 HB3 0.26 -0.04 -0.09 -0.04 1.64 1.73 2dc0B1 LEU 1425 HG -0.04 0.08 0.02 -0.04 1.64 1.65 2dc0B1 LEU 1425 HD13 -0.00 -0.02 -0.21 -0.04 0.93 0.65 2dc0B1 LEU 1425 HD23 -0.26 -0.02 -0.06 -0.04 0.89 0.50 2dc0B1 GLY 1426 H 0.06 0.53 -0.32 -0.55 8.43 8.16 2dc0B1 GLY 1426 HA2 0.10 0.04 0.33 -0.51 4.01 3.97 2dc0B1 GLY 1426 HA3 0.05 0.04 0.24 -0.51 4.01 3.83 2dc0B1 GLY 1427 H 0.07 0.56 -0.22 -0.55 8.43 8.29 2dc0B1 GLY 1427 HA2 0.05 -0.08 0.41 -0.51 4.01 3.88 2dc0B1 GLY 1427 HA3 0.06 0.04 0.28 -0.51 4.01 3.88 2dc0B1 TRP 1428 H 0.30 0.45 -0.26 -0.55 7.97 7.92 2dc0B1 TRP 1428 HA 0.02 0.01 0.39 -0.75 4.62 4.29 2dc0B1 TRP 1428 HB2 0.03 0.03 0.11 -0.04 3.23 3.36 2dc0B1 TRP 1428 HB3 0.09 0.13 0.12 -0.04 3.23 3.53 2dc0B1 TRP 1428 HD1 0.01 -0.04 0.04 -0.04 7.22 7.19 2dc0B1 TRP 1428 HE1 0.01 0.00 0.01 -0.04 10.20 10.18 2dc0B1 TRP 1428 HE3 0.16 0.04 -0.32 -0.04 7.59 7.42 2dc0B1 TRP 1428 HZ2 0.03 0.11 -0.02 -0.04 7.44 7.53 2dc0B1 TRP 1428 HZ3 0.18 -0.03 -0.13 -0.04 7.13 7.11 2dc0B1 TRP 1428 HH2 0.09 0.03 -0.20 -0.04 7.19 7.07 2dc0B1 LEU 1429 H 0.38 0.49 -0.20 -0.55 8.37 8.49 2dc0B1 LEU 1429 HA 0.13 0.07 0.40 -0.75 4.35 4.19 2dc0B1 LEU 1429 HB2 0.14 0.06 0.09 -0.04 1.64 1.88 2dc0B1 LEU 1429 HB3 0.08 -0.02 -0.11 -0.04 1.64 1.55 2dc0B1 LEU 1429 HG 0.53 0.04 -0.04 -0.04 1.64 2.13 2dc0B1 LEU 1429 HD13 -0.16 -0.02 -0.17 -0.04 0.93 0.54 2dc0B1 LEU 1429 HD23 0.05 -0.01 -0.10 -0.04 0.89 0.78 2dc0B1 GLU 1430 H 0.08 0.68 -0.05 -0.55 8.60 8.76 2dc0B1 GLU 1430 HA 0.03 0.04 0.31 -0.75 4.29 3.92 2dc0B1 GLU 1430 HB2 0.04 -0.00 0.09 -0.04 2.09 2.18 2dc0B1 GLU 1430 HB3 0.03 0.03 0.17 -0.04 1.99 2.18 2dc0B1 GLU 1430 HG2 0.01 0.08 -0.27 -0.04 2.34 2.12 2dc0B1 GLU 1430 HG3 0.03 0.05 0.01 -0.04 2.34 2.39 2dc0B1 ALA 1431 H -0.05 0.45 -0.37 -0.55 8.40 7.88 2dc0B1 ALA 1431 HA -0.06 -0.00 0.46 -0.75 4.34 3.99 2dc0B1 ALA 1431 HB3 -0.13 0.00 0.09 -0.04 1.41 1.34 2dc0B1 ARG 1432 H -0.18 0.35 -0.30 -0.55 8.46 7.78 2dc0B1 ARG 1432 HA -0.15 0.10 0.78 -0.75 4.34 4.32 2dc0B1 ARG 1432 HB2 -0.32 0.05 0.11 -0.04 1.90 1.70 2dc0B1 ARG 1432 HB3 -0.23 -0.08 0.16 -0.04 1.80 1.61 2dc0B1 ARG 1432 HG2 -0.35 -0.06 -0.01 -0.04 1.67 1.21 2dc0B1 ARG 1432 HG3 -0.52 -0.01 -0.06 -0.04 1.67 1.05 2dc0B1 ARG 1432 HD2 -1.89 0.05 -0.01 -0.04 3.22 1.33 2dc0B1 ARG 1432 HD3 -0.70 -0.03 0.04 -0.04 3.22 2.48 2dc0B1 LEU 1433 H -0.04 0.28 -0.35 -0.55 8.37 7.71 2dc0B1 LEU 1433 HA 0.00 0.12 0.80 -0.75 4.35 4.53 2dc0B1 LEU 1433 HB2 0.03 0.06 0.01 -0.04 1.64 1.70 2dc0B1 LEU 1433 HB3 0.07 -0.12 0.12 -0.04 1.64 1.66 2dc0B1 LEU 1433 HG 0.02 0.15 -0.18 -0.04 1.64 1.59 2dc0B1 LEU 1433 HD13 0.10 -0.03 -0.18 -0.04 0.93 0.78 2dc0B1 LEU 1433 HD23 0.11 0.01 -0.01 -0.04 0.89 0.96 2dc0B1 GLY 1434 H 0.02 0.17 -0.02 -0.55 8.43 8.05 2dc0B1 GLY 1434 HA2 -0.01 0.15 0.31 -0.51 4.01 3.96 2dc0B1 GLY 1434 HA3 -0.01 -0.03 0.10 -0.51 4.01 3.57