============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. PHE 10 1.000 11.877 16.454 7.970 -99.200 -91.000 TYR 11 0.840 8.176 26.480 5.765 -99.200 -91.000 PHE 12 1.000 3.834 19.659 6.851 -99.200 -91.000 TRP 17 1.040 2.523 22.752 2.791 -99.200 -91.000 TRP6 17 1.020 2.324 20.841 1.408 -99.200 -91.000 PHE 18 1.000 -2.838 24.936 9.283 -99.200 -91.000 HIS 19 0.900 -9.664 21.664 3.050 -99.200 -91.000 PHE 22 1.000 -18.098 28.214 8.977 -99.200 -91.000 PHE 26 1.000 -19.346 37.371 13.099 -99.200 -91.000 HIS 28 0.900 -8.776 30.772 10.551 -99.200 -91.000 PHE 35 1.000 2.213 16.404 10.673 -99.200 -91.000 TYR 48 0.840 -0.236 11.537 16.993 -99.200 -91.000 PHE 53 1.000 -12.421 28.258 16.712 -99.200 -91.000 HIS 64 0.900 -17.579 20.684 16.855 -99.200 -91.000 HIS 65 0.900 -20.382 13.639 18.129 -99.200 -91.000 PHE 70 1.000 -10.376 17.496 18.164 -99.200 -91.000 HIS 98 0.900 -4.955 28.629 31.351 -99.200 -91.000 PHE 108 1.000 -15.420 20.564 21.132 -99.200 -91.000 PHE 109 1.000 -21.004 25.489 24.909 -99.200 -91.000 HIS 132 0.900 -3.782 7.241 7.552 -99.200 -91.000 PHE 134 1.000 -10.622 16.118 12.658 -99.200 -91.000 PHE 137 1.000 -20.323 12.338 12.831 -99.200 -91.000 PHE 138 1.000 -19.631 21.707 13.369 -99.200 -91.000 TYR 148 0.840 -25.413 14.908 15.601 -99.200 -91.000 PHE 152 1.000 -30.651 8.827 13.578 -99.200 -91.000 PHE 161 1.000 -35.849 14.658 18.870 -99.200 -91.000 PHE 173 1.000 -34.172 18.431 11.238 -99.200 -91.000 HIS 195 0.900 -23.000 29.103 33.496 -99.200 -91.000 PHE 200 1.000 -2.506 20.331 30.902 -99.200 -91.000 TYR 209 0.840 16.852 23.559 29.211 -99.200 -91.000 TRP 216 1.040 12.334 24.189 26.986 -99.200 -91.000 TRP6 216 1.020 13.796 23.514 25.251 -99.200 -91.000 PHE 217 1.000 7.623 29.543 30.983 -99.200 -91.000 PHE 233 1.000 7.926 17.351 24.677 -99.200 -91.000 HIS 248 0.900 17.417 21.772 20.826 -99.200 -91.000 TYR 249 0.840 20.628 13.841 20.389 -99.200 -91.000 TRP 276 1.040 25.897 4.807 8.952 -99.200 -91.000 TRP6 276 1.020 27.914 3.724 9.534 -99.200 -91.000 TYR 281 0.840 16.046 17.480 5.242 -99.200 -91.000 PHE 291 1.000 11.384 22.561 10.489 -99.200 -91.000 TYR 297 0.840 15.963 13.216 11.456 -99.200 -91.000 PHE 309 1.000 10.044 27.275 19.917 -99.200 -91.000 PHE 310 1.000 1.834 27.269 23.358 -99.200 -91.000 PHE 312 1.000 0.606 20.613 19.928 -99.200 -91.000 PHE 323 1.000 19.929 22.310 24.895 -99.200 -91.000 PHE 344 1.000 34.761 15.696 17.749 -99.200 -91.000 PHE 363 1.000 16.314 29.587 25.710 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2cv6A1 SER 7 HA -0.03 -0.06 0.19 -0.75 4.49 3.84 2cv6A1 SER 7 HB2 -0.05 -0.02 -0.02 -0.04 3.95 3.83 2cv6A1 SER 7 HB3 -0.03 -0.04 -0.03 -0.04 3.93 3.80 2cv6A1 VAL 8 H -0.03 0.09 0.03 -0.55 8.24 7.79 2cv6A1 VAL 8 HA -0.08 0.43 1.13 -0.75 4.13 4.85 2cv6A1 VAL 8 HB -0.00 -0.00 -0.08 -0.04 2.12 1.99 2cv6A1 VAL 8 HG13 -0.02 -0.00 -0.15 -0.04 0.97 0.75 2cv6A1 VAL 8 HG23 -0.00 -0.03 0.09 -0.04 0.95 0.97 2cv6A1 SER 9 H -0.15 0.48 0.19 -0.55 8.46 8.44 2cv6A1 SER 9 HA 0.04 -0.01 0.50 -0.75 4.49 4.26 2cv6A1 SER 9 HB2 0.13 0.01 0.21 -0.04 3.95 4.26 2cv6A1 SER 9 HB3 0.21 0.06 -0.14 -0.04 3.93 4.03 2cv6A1 ARG 10 H 0.06 0.12 0.23 -0.55 8.46 8.32 2cv6A1 ARG 10 HA 0.09 0.43 1.08 -0.75 4.34 5.19 2cv6A1 ARG 10 HB2 0.04 -0.05 0.06 -0.04 1.90 1.90 2cv6A1 ARG 10 HB3 0.02 -0.08 0.04 -0.04 1.80 1.74 2cv6A1 ARG 10 HG2 0.03 0.03 -0.29 -0.04 1.67 1.41 2cv6A1 ARG 10 HG3 0.02 0.24 -0.06 -0.04 1.67 1.83 2cv6A1 ARG 10 HD2 0.01 -0.03 -0.02 -0.04 3.22 3.14 2cv6A1 ARG 10 HD3 0.01 -0.06 -0.06 -0.04 3.22 3.07 2cv6A1 GLY 11 H 0.01 0.23 0.26 -0.55 8.43 8.38 2cv6A1 GLY 11 HA2 0.02 0.05 0.41 -0.51 4.01 3.98 2cv6A1 GLY 11 HA3 0.04 -0.07 0.43 -0.51 4.01 3.91 2cv6A1 LYS 12 H 0.12 0.02 0.17 -0.55 8.42 8.18 2cv6A1 LYS 12 HA 0.18 0.03 0.40 -0.75 4.32 4.18 2cv6A1 LYS 12 HB2 0.08 -0.04 0.17 -0.04 1.87 2.04 2cv6A1 LYS 12 HB3 0.08 0.05 0.04 -0.04 1.79 1.92 2cv6A1 LYS 12 HG2 0.10 0.02 0.11 -0.04 1.46 1.65 2cv6A1 LYS 12 HG3 0.08 -0.06 0.13 -0.04 1.46 1.56 2cv6A1 LYS 12 HD2 0.04 -0.01 0.04 -0.04 1.69 1.72 2cv6A1 LYS 12 HD3 0.04 -0.01 0.04 -0.04 1.68 1.71 2cv6A1 LYS 12 HE2 0.05 0.04 0.01 -0.04 2.99 3.05 2cv6A1 LYS 12 HE3 0.04 0.02 0.03 -0.04 2.99 3.04 2cv6A1 ASN 13 H 0.09 0.22 -0.04 -0.55 8.53 8.25 2cv6A1 ASN 13 HA 0.07 0.21 0.80 -0.75 4.76 5.08 2cv6A1 ASN 13 HB2 0.06 -0.00 0.18 -0.04 2.88 3.07 2cv6A1 ASN 13 HB3 0.05 -0.05 0.07 -0.04 2.79 2.82 2cv6A1 ASN 13 HD21 0.05 -0.07 0.10 -0.04 7.03 7.06 2cv6A1 ASN 13 HD22 0.05 -0.03 0.07 -0.04 7.74 7.78 2cv6A1 ASN 14 H 0.12 0.76 -0.36 -0.55 8.53 8.51 2cv6A1 ASN 14 HA 0.21 0.06 0.55 -0.75 4.76 4.83 2cv6A1 ASN 14 HB2 0.22 -0.04 -0.35 -0.04 2.88 2.67 2cv6A1 ASN 14 HB3 0.22 0.06 0.01 -0.04 2.79 3.03 2cv6A1 ASN 14 HD21 0.53 -0.04 -0.24 -0.04 7.03 7.24 2cv6A1 ASN 14 HD22 0.33 0.31 0.01 -0.04 7.74 8.35 2cv6A1 PRO 15 HA -0.42 0.17 0.40 -0.51 4.44 4.08 2cv6A1 PRO 15 HB2 -1.17 -0.04 -0.07 -0.04 2.28 0.96 2cv6A1 PRO 15 HB3 -0.46 0.11 -0.03 -0.04 2.02 1.60 2cv6A1 PRO 15 HG2 -0.29 0.01 0.08 -0.04 2.03 1.79 2cv6A1 PRO 15 HG3 -0.16 0.13 0.08 -0.04 2.03 2.05 2cv6A1 PRO 15 HD2 -0.36 0.00 0.19 -0.04 3.68 3.47 2cv6A1 PRO 15 HD3 0.11 0.24 0.39 -0.04 3.65 4.35 2cv6A1 PHE 16 H -0.40 0.08 -0.15 -0.55 8.34 7.31 2cv6A1 PHE 16 HA -0.21 0.15 0.54 -0.75 4.62 4.35 2cv6A1 PHE 16 HB2 -0.80 -0.05 -0.05 -0.04 3.15 2.21 2cv6A1 PHE 16 HB3 -0.73 0.15 0.20 -0.04 3.06 2.64 2cv6A1 PHE 16 HD2 -0.40 -0.03 -0.05 -0.04 7.28 6.76 2cv6A1 PHE 16 HE2 -0.83 0.01 -0.11 -0.04 7.38 6.41 2cv6A1 PHE 16 HZ -0.10 -0.02 -0.06 -0.04 7.32 7.10 2cv6A1 TYR 17 H -0.03 0.18 -0.45 -0.55 8.29 7.44 2cv6A1 TYR 17 HA 0.19 0.06 0.63 -0.75 4.56 4.68 2cv6A1 TYR 17 HB2 0.32 -0.06 -0.06 -0.04 3.06 3.22 2cv6A1 TYR 17 HB3 0.06 0.21 0.05 -0.04 2.98 3.26 2cv6A1 TYR 17 HD2 0.28 0.07 -0.15 -0.04 7.15 7.31 2cv6A1 TYR 17 HE2 0.18 -0.05 -0.09 -0.04 6.85 6.85 2cv6A1 PHE 18 H -0.04 0.61 0.25 -0.55 8.34 8.61 2cv6A1 PHE 18 HA -0.66 0.20 0.92 -0.75 4.62 4.33 2cv6A1 PHE 18 HB2 -0.15 0.22 0.19 -0.04 3.15 3.37 2cv6A1 PHE 18 HB3 -0.24 -0.10 0.08 -0.04 3.06 2.76 2cv6A1 PHE 18 HD2 -0.35 0.01 -0.17 -0.04 7.28 6.73 2cv6A1 PHE 18 HE2 -0.36 -0.02 -0.08 -0.04 7.38 6.88 2cv6A1 PHE 18 HZ -0.26 -0.01 -0.04 -0.04 7.32 6.97 2cv6A1 ASN 19 H -0.15 0.25 -0.07 -0.55 8.53 8.02 2cv6A1 ASN 19 HA -0.11 -0.02 0.43 -0.75 4.76 4.30 2cv6A1 ASN 19 HB2 0.16 0.03 0.02 -0.04 2.88 3.04 2cv6A1 ASN 19 HB3 0.25 0.05 -0.01 -0.04 2.79 3.04 2cv6A1 ASN 19 HD21 0.19 -0.00 -0.04 -0.04 7.03 7.14 2cv6A1 ASN 19 HD22 0.38 0.02 -0.01 -0.04 7.74 8.10 2cv6A1 SER 20 H 0.19 0.11 0.15 -0.55 8.46 8.36 2cv6A1 SER 20 HA 0.45 0.13 0.33 -0.75 4.49 4.64 2cv6A1 SER 20 HB2 0.17 -0.13 0.17 -0.04 3.95 4.12 2cv6A1 SER 20 HB3 0.20 0.02 0.01 -0.04 3.93 4.12 2cv6A1 ASP 21 H 0.12 0.11 -0.02 -0.55 8.40 8.07 2cv6A1 ASP 21 HA 0.08 0.10 0.42 -0.75 4.63 4.48 2cv6A1 ASP 21 HB2 0.01 0.05 0.17 -0.04 2.71 2.90 2cv6A1 ASP 21 HB3 0.03 0.01 0.07 -0.04 2.70 2.77 2cv6A1 ARG 22 H 0.06 0.53 0.32 -0.55 8.46 8.82 2cv6A1 ARG 22 HA -0.21 0.03 0.45 -0.75 4.34 3.86 2cv6A1 ARG 22 HB2 -0.21 0.06 0.11 -0.04 1.90 1.82 2cv6A1 ARG 22 HB3 -0.15 -0.11 -0.37 -0.04 1.80 1.13 2cv6A1 ARG 22 HG2 -0.54 -0.05 -0.05 -0.04 1.67 0.98 2cv6A1 ARG 22 HG3 -2.01 0.04 -0.24 -0.04 1.67 -0.58 2cv6A1 ARG 22 HD2 -0.99 0.04 -0.06 -0.04 3.22 2.18 2cv6A1 ARG 22 HD3 -0.53 -0.04 0.06 -0.04 3.22 2.67 2cv6A1 TRP 23 H 0.14 0.55 0.23 -0.55 7.97 8.35 2cv6A1 TRP 23 HA -0.01 0.20 0.91 -0.75 4.62 4.97 2cv6A1 TRP 23 HB2 -0.02 0.14 0.03 -0.04 3.23 3.35 2cv6A1 TRP 23 HB3 0.09 -0.10 0.13 -0.04 3.23 3.31 2cv6A1 TRP 23 HD1 -0.14 -0.03 0.05 -0.04 7.22 7.06 2cv6A1 TRP 23 HE1 -0.16 -0.01 0.01 -0.04 10.20 9.99 2cv6A1 TRP 23 HE3 -0.01 -0.06 0.09 -0.04 7.59 7.57 2cv6A1 TRP 23 HZ2 -0.14 0.05 0.02 -0.04 7.44 7.32 2cv6A1 TRP 23 HZ3 -0.06 -0.04 0.01 -0.04 7.13 7.00 2cv6A1 TRP 23 HH2 -0.10 -0.01 0.00 -0.04 7.19 7.04 2cv6A1 PHE 24 H 0.27 0.21 0.16 -0.55 8.34 8.42 2cv6A1 PHE 24 HA 0.14 0.18 0.59 -0.75 4.62 4.78 2cv6A1 PHE 24 HB2 0.06 0.04 0.03 -0.04 3.15 3.24 2cv6A1 PHE 24 HB3 0.04 -0.08 -0.23 -0.04 3.06 2.75 2cv6A1 PHE 24 HD2 0.09 -0.05 -0.37 -0.04 7.28 6.91 2cv6A1 PHE 24 HE2 0.10 0.09 -0.13 -0.04 7.38 7.40 2cv6A1 PHE 24 HZ 0.09 0.01 -0.14 -0.04 7.32 7.23 2cv6A1 HIS 25 H 0.36 0.63 0.23 -0.55 8.41 9.08 2cv6A1 HIS 25 HA 0.07 0.14 0.87 -0.75 4.63 4.95 2cv6A1 HIS 25 HB2 0.06 0.05 -0.02 -0.04 3.26 3.31 2cv6A1 HIS 25 HB3 0.09 0.08 0.18 -0.04 3.20 3.51 2cv6A1 HIS 25 HD2 0.02 -0.04 -0.05 -0.04 6.97 6.86 2cv6A1 HIS 25 HE1 0.00 -0.04 0.02 -0.04 7.75 7.69 2cv6A1 THR 26 H -0.06 0.17 0.07 -0.55 8.28 7.92 2cv6A1 THR 26 HA -0.10 0.03 0.67 -0.75 4.39 4.24 2cv6A1 THR 26 HB -0.10 0.02 0.08 -0.04 4.32 4.27 2cv6A1 THR 26 HG23 -0.08 -0.01 -0.20 -0.04 1.22 0.89 2cv6A1 LEU 27 H -0.03 0.92 0.65 -0.55 8.37 9.36 2cv6A1 LEU 27 HA -0.14 0.15 0.81 -0.75 4.35 4.43 2cv6A1 LEU 27 HB2 0.10 0.06 0.10 -0.04 1.64 1.86 2cv6A1 LEU 27 HB3 0.08 -0.06 0.06 -0.04 1.64 1.69 2cv6A1 LEU 27 HG -0.01 0.03 -0.03 -0.04 1.64 1.59 2cv6A1 LEU 27 HD13 0.09 -0.01 -0.05 -0.04 0.93 0.92 2cv6A1 LEU 27 HD23 0.00 0.02 -0.01 -0.04 0.89 0.86 2cv6A1 PHE 28 H 0.08 0.29 0.29 -0.55 8.34 8.45 2cv6A1 PHE 28 HA -0.04 0.15 0.52 -0.75 4.62 4.49 2cv6A1 PHE 28 HB2 -0.04 0.19 -0.16 -0.04 3.15 3.09 2cv6A1 PHE 28 HB3 0.02 -0.07 -0.05 -0.04 3.06 2.91 2cv6A1 PHE 28 HD2 -0.04 0.10 -0.10 -0.04 7.28 7.20 2cv6A1 PHE 28 HE2 -0.03 0.07 0.00 -0.04 7.38 7.39 2cv6A1 PHE 28 HZ -0.02 -0.03 0.09 -0.04 7.32 7.32 2cv6A1 ARG 29 H -1.18 0.28 0.17 -0.55 8.46 7.18 2cv6A1 ARG 29 HA -0.20 0.28 0.82 -0.75 4.34 4.48 2cv6A1 ARG 29 HB2 -0.12 0.05 -0.18 -0.04 1.90 1.61 2cv6A1 ARG 29 HB3 -0.21 -0.01 -0.04 -0.04 1.80 1.50 2cv6A1 ARG 29 HG2 -0.13 0.03 -0.14 -0.04 1.67 1.39 2cv6A1 ARG 29 HG3 -0.03 0.01 0.04 -0.04 1.67 1.64 2cv6A1 ARG 29 HD2 -0.10 -0.02 -0.07 -0.04 3.22 2.98 2cv6A1 ARG 29 HD3 -0.10 -0.01 -0.08 -0.04 3.22 2.98 2cv6A1 ASN 30 H -0.15 0.63 0.34 -0.55 8.53 8.80 2cv6A1 ASN 30 HA -0.19 0.16 0.50 -0.75 4.76 4.48 2cv6A1 ASN 30 HB2 -0.05 -0.07 0.25 -0.04 2.88 2.96 2cv6A1 ASN 30 HB3 -0.25 0.14 -0.08 -0.04 2.79 2.56 2cv6A1 ASN 30 HD21 0.47 0.12 -0.00 -0.04 7.03 7.58 2cv6A1 ASN 30 HD22 0.49 -0.04 -0.05 -0.04 7.74 8.10 2cv6A1 GLN 31 H -0.21 0.17 0.17 -0.55 8.47 8.06 2cv6A1 GLN 31 HA -0.29 0.12 0.42 -0.75 4.36 3.85 2cv6A1 GLN 31 HB2 -0.95 -0.02 0.11 -0.04 2.15 1.25 2cv6A1 GLN 31 HB3 -0.82 0.05 0.07 -0.04 2.02 1.29 2cv6A1 GLN 31 HG2 -0.20 -0.05 0.10 -0.04 2.40 2.21 2cv6A1 GLN 31 HG3 -0.23 0.03 0.06 -0.04 2.39 2.21 2cv6A1 GLN 31 HE21 -0.12 0.02 -0.02 -0.04 6.97 6.82 2cv6A1 GLN 31 HE22 -0.14 -0.03 -0.04 -0.04 7.69 7.44 2cv6A1 PHE 32 H -0.07 0.00 -0.33 -0.55 8.34 7.39 2cv6A1 PHE 32 HA -0.03 0.28 0.98 -0.75 4.62 5.10 2cv6A1 PHE 32 HB2 0.02 0.01 -0.16 -0.04 3.15 2.98 2cv6A1 PHE 32 HB3 -0.00 0.06 0.01 -0.04 3.06 3.10 2cv6A1 PHE 32 HD2 0.01 0.08 -0.08 -0.04 7.28 7.26 2cv6A1 PHE 32 HE2 0.01 0.02 -0.01 -0.04 7.38 7.35 2cv6A1 PHE 32 HZ 0.00 0.02 -0.01 -0.04 7.32 7.29 2cv6A1 GLY 33 H -0.03 0.25 -0.10 -0.55 8.43 8.00 2cv6A1 GLY 33 HA2 -0.23 0.01 0.20 -0.51 4.01 3.48 2cv6A1 GLY 33 HA3 -0.19 0.26 0.66 -0.51 4.01 4.24 2cv6A1 HIS 34 H -0.62 0.40 0.36 -0.55 8.41 8.01 2cv6A1 HIS 34 HA -0.03 0.20 0.85 -0.75 4.63 4.90 2cv6A1 HIS 34 HB2 -0.09 0.06 0.12 -0.04 3.26 3.32 2cv6A1 HIS 34 HB3 -0.11 -0.01 -0.07 -0.04 3.20 2.96 2cv6A1 HIS 34 HD2 -0.10 0.02 -0.10 -0.04 6.97 6.74 2cv6A1 HIS 34 HE1 -0.15 0.01 -0.25 -0.04 7.75 7.32 2cv6A1 LEU 35 H 0.19 0.64 0.33 -0.55 8.37 8.98 2cv6A1 LEU 35 HA 0.25 0.35 1.07 -0.75 4.35 5.26 2cv6A1 LEU 35 HB2 0.31 -0.07 -0.04 -0.04 1.64 1.80 2cv6A1 LEU 35 HB3 0.23 -0.08 0.12 -0.04 1.64 1.87 2cv6A1 LEU 35 HG 0.56 0.00 -0.06 -0.04 1.64 2.10 2cv6A1 LEU 35 HD13 0.26 -0.01 -0.12 -0.04 0.93 1.02 2cv6A1 LEU 35 HD23 0.28 0.06 -0.08 -0.04 0.89 1.11 2cv6A1 ARG 36 H 0.13 0.59 0.31 -0.55 8.46 8.93 2cv6A1 ARG 36 HA 0.05 0.18 1.16 -0.75 4.34 4.97 2cv6A1 ARG 36 HB2 0.08 0.02 -0.38 -0.04 1.90 1.58 2cv6A1 ARG 36 HB3 -0.08 -0.09 -0.21 -0.04 1.80 1.38 2cv6A1 ARG 36 HG2 -0.24 0.02 -0.04 -0.04 1.67 1.37 2cv6A1 ARG 36 HG3 -0.77 0.02 -0.18 -0.04 1.67 0.69 2cv6A1 ARG 36 HD2 -0.21 0.01 -0.23 -0.04 3.22 2.75 2cv6A1 ARG 36 HD3 -0.62 -0.03 -0.18 -0.04 3.22 2.36 2cv6A1 VAL 37 H 0.21 0.82 0.40 -0.55 8.24 9.11 2cv6A1 VAL 37 HA 0.36 0.21 1.22 -0.75 4.13 5.17 2cv6A1 VAL 37 HB 0.20 -0.01 0.17 -0.04 2.12 2.43 2cv6A1 VAL 37 HG13 0.17 0.12 -0.03 -0.04 0.97 1.18 2cv6A1 VAL 37 HG23 0.25 -0.03 -0.11 -0.04 0.95 1.02 2cv6A1 LEU 38 H 0.18 0.63 0.35 -0.55 8.37 8.99 2cv6A1 LEU 38 HA -0.53 0.04 0.47 -0.75 4.35 3.58 2cv6A1 LEU 38 HB2 -0.64 -0.06 0.08 -0.04 1.64 0.98 2cv6A1 LEU 38 HB3 -0.31 -0.14 0.19 -0.04 1.64 1.34 2cv6A1 LEU 38 HG -0.68 0.29 0.01 -0.04 1.64 1.22 2cv6A1 LEU 38 HD13 -0.55 0.00 -0.07 -0.04 0.93 0.27 2cv6A1 LEU 38 HD23 -0.75 -0.02 -0.04 -0.04 0.89 0.03 2cv6A1 GLN 39 H -0.06 0.19 0.22 -0.55 8.47 8.28 2cv6A1 GLN 39 HA 0.01 0.05 0.56 -0.75 4.36 4.22 2cv6A1 GLN 39 HB2 0.37 0.13 0.26 -0.04 2.15 2.87 2cv6A1 GLN 39 HB3 0.18 0.05 -0.01 -0.04 2.02 2.21 2cv6A1 GLN 39 HG2 0.22 -0.03 0.08 -0.04 2.40 2.63 2cv6A1 GLN 39 HG3 0.09 -0.07 0.13 -0.04 2.39 2.50 2cv6A1 GLN 39 HE21 0.04 0.00 -0.08 -0.04 6.97 6.89 2cv6A1 GLN 39 HE22 0.05 -0.05 -0.02 -0.04 7.69 7.63 2cv6A1 ARG 40 H -0.03 0.07 0.17 -0.55 8.46 8.12 2cv6A1 ARG 40 HA -0.18 0.15 0.47 -0.75 4.34 4.04 2cv6A1 ARG 40 HB2 -0.03 -0.05 0.13 -0.04 1.90 1.92 2cv6A1 ARG 40 HB3 -0.02 -0.09 0.00 -0.04 1.80 1.65 2cv6A1 ARG 40 HG2 0.03 0.20 0.12 -0.04 1.67 1.98 2cv6A1 ARG 40 HG3 -0.01 -0.01 0.13 -0.04 1.67 1.74 2cv6A1 ARG 40 HD2 0.02 0.03 0.01 -0.04 3.22 3.24 2cv6A1 ARG 40 HD3 -0.04 -0.04 0.03 -0.04 3.22 3.13 2cv6A1 PHE 41 H -0.07 0.25 0.17 -0.55 8.34 8.14 2cv6A1 PHE 41 HA 0.01 0.16 0.43 -0.75 4.62 4.47 2cv6A1 PHE 41 HB2 -0.02 -0.06 0.05 -0.04 3.15 3.08 2cv6A1 PHE 41 HB3 -0.04 0.01 -0.04 -0.04 3.06 2.95 2cv6A1 PHE 41 HD2 -0.20 0.13 -0.01 -0.04 7.28 7.16 2cv6A1 PHE 41 HE2 -0.51 -0.01 -0.14 -0.04 7.38 6.67 2cv6A1 PHE 41 HZ -0.29 -0.06 -0.11 -0.04 7.32 6.82 2cv6A1 ASP 42 H 0.17 0.13 -0.01 -0.55 8.40 8.14 2cv6A1 ASP 42 HA 0.05 0.09 0.08 -0.75 4.63 4.09 2cv6A1 ASP 42 HB2 0.01 -0.01 -0.00 -0.04 2.71 2.68 2cv6A1 ASP 42 HB3 0.07 0.08 0.16 -0.04 2.70 2.98 2cv6A1 GLN 43 H 0.01 0.07 -0.87 -0.55 8.47 7.13 2cv6A1 GLN 43 HA -0.03 -0.01 0.33 -0.75 4.36 3.90 2cv6A1 GLN 43 HB2 -0.00 0.23 0.04 -0.04 2.15 2.37 2cv6A1 GLN 43 HB3 0.00 -0.02 -0.02 -0.04 2.02 1.94 2cv6A1 GLN 43 HG2 -0.04 -0.12 -0.08 -0.04 2.40 2.11 2cv6A1 GLN 43 HG3 -0.01 -0.00 0.02 -0.04 2.39 2.36 2cv6A1 GLN 43 HE21 -0.06 -0.02 -0.01 -0.04 6.97 6.84 2cv6A1 GLN 43 HE22 -0.08 -0.02 -0.06 -0.04 7.69 7.49 2cv6A1 ARG 44 H -0.03 0.47 -0.05 -0.55 8.46 8.30 2cv6A1 ARG 44 HA -0.08 0.05 0.51 -0.75 4.34 4.07 2cv6A1 ARG 44 HB2 -0.18 0.08 0.07 -0.04 1.90 1.83 2cv6A1 ARG 44 HB3 -0.31 -0.03 0.07 -0.04 1.80 1.49 2cv6A1 ARG 44 HG2 -0.26 -0.07 0.01 -0.04 1.67 1.31 2cv6A1 ARG 44 HG3 -0.20 0.07 0.08 -0.04 1.67 1.59 2cv6A1 ARG 44 HD2 -1.64 -0.07 0.01 -0.04 3.22 1.48 2cv6A1 ARG 44 HD3 -1.02 0.10 0.03 -0.04 3.22 2.29 2cv6A1 SER 45 H -0.05 0.25 -0.29 -0.55 8.46 7.81 2cv6A1 SER 45 HA -0.06 0.10 0.43 -0.75 4.49 4.20 2cv6A1 SER 45 HB2 -0.21 0.29 0.04 -0.04 3.95 4.03 2cv6A1 SER 45 HB3 -0.27 -0.02 -0.21 -0.04 3.93 3.39 2cv6A1 LYS 46 H -0.01 0.27 0.12 -0.55 8.42 8.24 2cv6A1 LYS 46 HA 0.01 0.08 0.41 -0.75 4.32 4.06 2cv6A1 LYS 46 HB2 0.02 0.05 0.13 -0.04 1.87 2.03 2cv6A1 LYS 46 HB3 0.02 0.00 0.12 -0.04 1.79 1.90 2cv6A1 LYS 46 HG2 0.01 0.02 0.06 -0.04 1.46 1.51 2cv6A1 LYS 46 HG3 0.01 -0.01 0.07 -0.04 1.46 1.49 2cv6A1 LYS 46 HD2 -0.01 -0.15 0.06 -0.04 1.69 1.55 2cv6A1 LYS 46 HD3 -0.00 0.03 0.03 -0.04 1.68 1.70 2cv6A1 LYS 46 HE2 -0.00 0.01 -0.07 -0.04 2.99 2.89 2cv6A1 LYS 46 HE3 -0.01 0.13 -0.05 -0.04 2.99 3.02 2cv6A1 GLN 47 H -0.00 0.11 -0.65 -0.55 8.47 7.38 2cv6A1 GLN 47 HA 0.07 0.12 0.49 -0.75 4.36 4.29 2cv6A1 GLN 47 HB2 0.10 0.03 -0.07 -0.04 2.15 2.17 2cv6A1 GLN 47 HB3 0.24 0.01 0.07 -0.04 2.02 2.30 2cv6A1 GLN 47 HG2 0.14 0.00 -0.08 -0.04 2.40 2.42 2cv6A1 GLN 47 HG3 0.09 0.05 -0.05 -0.04 2.39 2.43 2cv6A1 GLN 47 HE21 0.53 -0.02 0.02 -0.04 6.97 7.45 2cv6A1 GLN 47 HE22 0.61 0.00 -0.02 -0.04 7.69 8.24 2cv6A1 MET 48 H 0.00 0.55 -0.47 -0.55 8.47 7.99 2cv6A1 MET 48 HA -0.03 0.17 0.71 -0.75 4.52 4.62 2cv6A1 MET 48 HB2 0.01 0.13 -0.14 -0.04 2.15 2.11 2cv6A1 MET 48 HB3 -0.05 -0.10 0.02 -0.04 2.03 1.87 2cv6A1 MET 48 HG2 0.07 0.06 -0.25 -0.04 2.63 2.47 2cv6A1 MET 48 HG3 -0.02 -0.06 -0.40 -0.04 2.56 2.04 2cv6A1 MET 48 HE3 -0.15 0.04 -0.18 -0.04 2.10 1.77 2cv6A1 GLN 49 H 0.02 0.43 -0.21 -0.55 8.47 8.16 2cv6A1 GLN 49 HA 0.04 0.04 0.41 -0.75 4.36 4.10 2cv6A1 GLN 49 HB2 0.02 0.11 0.21 -0.04 2.15 2.44 2cv6A1 GLN 49 HB3 0.02 -0.01 0.13 -0.04 2.02 2.12 2cv6A1 GLN 49 HG2 0.03 0.02 -0.00 -0.04 2.40 2.41 2cv6A1 GLN 49 HG3 0.04 -0.02 -0.22 -0.04 2.39 2.15 2cv6A1 GLN 49 HE21 0.03 0.01 0.02 -0.04 6.97 6.99 2cv6A1 GLN 49 HE22 0.06 -0.04 0.04 -0.04 7.69 7.71 2cv6A1 ASN 50 H 0.02 0.17 -0.18 -0.55 8.53 7.98 2cv6A1 ASN 50 HA 0.05 0.11 0.44 -0.75 4.76 4.61 2cv6A1 ASN 50 HB2 0.01 0.03 0.02 -0.04 2.88 2.89 2cv6A1 ASN 50 HB3 0.04 0.04 0.12 -0.04 2.79 2.95 2cv6A1 ASN 50 HD21 0.02 0.01 0.00 -0.04 7.03 7.02 2cv6A1 ASN 50 HD22 0.01 0.04 0.01 -0.04 7.74 7.77 2cv6A1 LEU 51 H 0.04 0.46 -0.67 -0.55 8.37 7.65 2cv6A1 LEU 51 HA 0.22 0.18 0.78 -0.75 4.35 4.77 2cv6A1 LEU 51 HB2 -0.07 0.16 0.05 -0.04 1.64 1.74 2cv6A1 LEU 51 HB3 -0.18 -0.01 0.08 -0.04 1.64 1.50 2cv6A1 LEU 51 HG -0.19 -0.04 -0.14 -0.04 1.64 1.23 2cv6A1 LEU 51 HD13 -0.78 0.00 -0.12 -0.04 0.93 -0.01 2cv6A1 LEU 51 HD23 -0.18 0.02 -0.13 -0.04 0.89 0.56 2cv6A1 GLU 52 H 0.12 0.51 -0.01 -0.55 8.60 8.68 2cv6A1 GLU 52 HA 0.21 -0.11 0.42 -0.75 4.29 4.06 2cv6A1 GLU 52 HB2 0.30 -0.07 0.09 -0.04 2.09 2.37 2cv6A1 GLU 52 HB3 0.13 0.15 0.25 -0.04 1.99 2.48 2cv6A1 GLU 52 HG2 0.07 -0.01 -0.02 -0.04 2.34 2.34 2cv6A1 GLU 52 HG3 0.08 0.04 -0.44 -0.04 2.34 1.98 2cv6A1 ASN 53 H -0.01 0.07 -0.54 -0.55 8.53 7.51 2cv6A1 ASN 53 HA -0.18 0.32 0.61 -0.75 4.76 4.76 2cv6A1 ASN 53 HB2 -0.29 -0.04 0.03 -0.04 2.88 2.54 2cv6A1 ASN 53 HB3 -0.71 0.01 0.07 -0.04 2.79 2.11 2cv6A1 ASN 53 HD21 -0.18 -0.04 0.05 -0.04 7.03 6.83 2cv6A1 ASN 53 HD22 -0.26 0.08 0.17 -0.04 7.74 7.69 2cv6A1 TYR 54 H 0.18 0.53 -0.24 -0.55 8.29 8.21 2cv6A1 TYR 54 HA 0.05 0.42 1.25 -0.75 4.56 5.53 2cv6A1 TYR 54 HB2 0.11 -0.00 0.09 -0.04 3.06 3.21 2cv6A1 TYR 54 HB3 0.04 -0.06 0.03 -0.04 2.98 2.95 2cv6A1 TYR 54 HD2 -0.01 0.04 -0.02 -0.04 7.15 7.11 2cv6A1 TYR 54 HE2 -0.03 0.02 -0.02 -0.04 6.85 6.78 2cv6A1 ARG 55 H 0.20 0.43 0.32 -0.55 8.46 8.85 2cv6A1 ARG 55 HA 0.04 0.18 0.87 -0.75 4.34 4.68 2cv6A1 ARG 55 HB2 0.31 -0.11 -0.02 -0.04 1.90 2.04 2cv6A1 ARG 55 HB3 0.23 0.04 0.03 -0.04 1.80 2.05 2cv6A1 ARG 55 HG2 0.16 0.03 -0.51 -0.04 1.67 1.31 2cv6A1 ARG 55 HG3 0.23 -0.08 -0.11 -0.04 1.67 1.68 2cv6A1 ARG 55 HD2 -0.02 -0.01 0.05 -0.04 3.22 3.20 2cv6A1 ARG 55 HD3 0.06 0.10 -0.04 -0.04 3.22 3.30 2cv6A1 VAL 56 H -0.04 0.22 0.19 -0.55 8.24 8.06 2cv6A1 VAL 56 HA 0.04 0.29 1.04 -0.75 4.13 4.75 2cv6A1 VAL 56 HB -0.07 -0.04 0.14 -0.04 2.12 2.11 2cv6A1 VAL 56 HG13 0.23 -0.01 -0.16 -0.04 0.97 0.99 2cv6A1 VAL 56 HG23 0.05 0.01 -0.11 -0.04 0.95 0.86 2cv6A1 VAL 57 H 0.12 0.63 0.42 -0.55 8.24 8.86 2cv6A1 VAL 57 HA 0.30 0.24 1.12 -0.75 4.13 5.03 2cv6A1 VAL 57 HB 0.03 -0.07 0.04 -0.04 2.12 2.08 2cv6A1 VAL 57 HG13 0.21 0.00 -0.13 -0.04 0.97 1.01 2cv6A1 VAL 57 HG23 0.27 0.02 -0.30 -0.04 0.95 0.90 2cv6A1 GLU 58 H 0.15 0.71 0.39 -0.55 8.60 9.30 2cv6A1 GLU 58 HA 0.10 0.33 1.16 -0.75 4.29 5.13 2cv6A1 GLU 58 HB2 -0.40 -0.06 0.09 -0.04 2.09 1.68 2cv6A1 GLU 58 HB3 -0.06 -0.00 -0.01 -0.04 1.99 1.88 2cv6A1 GLU 58 HG2 0.10 0.05 -0.01 -0.04 2.34 2.44 2cv6A1 GLU 58 HG3 -0.03 -0.03 -0.18 -0.04 2.34 2.06 2cv6A1 PHE 59 H 0.16 0.56 0.36 -0.55 8.34 8.86 2cv6A1 PHE 59 HA 0.01 0.29 1.08 -0.75 4.62 5.24 2cv6A1 PHE 59 HB2 0.03 0.01 -0.21 -0.04 3.15 2.94 2cv6A1 PHE 59 HB3 0.00 -0.06 0.03 -0.04 3.06 2.99 2cv6A1 PHE 59 HD2 0.04 -0.04 -0.20 -0.04 7.28 7.04 2cv6A1 PHE 59 HE2 0.06 -0.04 -0.23 -0.04 7.38 7.12 2cv6A1 PHE 59 HZ 0.06 -0.03 -0.21 -0.04 7.32 7.10 2cv6A1 ASN 60 H -0.92 0.54 0.37 -0.55 8.53 7.97 2cv6A1 ASN 60 HA -0.32 0.34 1.02 -0.75 4.76 5.06 2cv6A1 ASN 60 HB2 -0.66 0.02 -0.03 -0.04 2.88 2.17 2cv6A1 ASN 60 HB3 -1.50 -0.16 0.17 -0.04 2.79 1.26 2cv6A1 ASN 60 HD21 -0.07 -0.04 -0.08 -0.04 7.03 6.80 2cv6A1 ASN 60 HD22 -0.10 0.04 0.02 -0.04 7.74 7.66 2cv6A1 SER 61 H -0.19 0.50 0.26 -0.55 8.46 8.48 2cv6A1 SER 61 HA -0.21 0.30 1.06 -0.75 4.49 4.89 2cv6A1 SER 61 HB2 -0.13 -0.04 -0.32 -0.04 3.95 3.43 2cv6A1 SER 61 HB3 0.11 -0.08 0.01 -0.04 3.93 3.93 2cv6A1 LYS 62 H 0.03 0.75 0.22 -0.55 8.42 8.86 2cv6A1 LYS 62 HA 0.02 -0.02 0.44 -0.75 4.32 4.01 2cv6A1 LYS 62 HB2 0.21 -0.04 0.14 -0.04 1.87 2.14 2cv6A1 LYS 62 HB3 0.11 0.07 0.04 -0.04 1.79 1.98 2cv6A1 LYS 62 HG2 -0.01 -0.06 -0.02 -0.04 1.46 1.33 2cv6A1 LYS 62 HG3 -0.02 -0.08 -0.08 -0.04 1.46 1.24 2cv6A1 LYS 62 HD2 -0.08 0.12 0.16 -0.04 1.69 1.85 2cv6A1 LYS 62 HD3 0.01 -0.04 0.03 -0.04 1.68 1.64 2cv6A1 LYS 62 HE2 -0.05 -0.09 -0.01 -0.04 2.99 2.81 2cv6A1 LYS 62 HE3 -0.10 0.02 0.02 -0.04 2.99 2.88 2cv6A1 PRO 63 HA 0.04 0.05 0.36 -0.51 4.44 4.38 2cv6A1 PRO 63 HB2 0.03 0.10 -0.18 -0.04 2.28 2.19 2cv6A1 PRO 63 HB3 0.03 -0.15 -0.26 -0.04 2.02 1.60 2cv6A1 PRO 63 HG2 0.05 0.05 -0.10 -0.04 2.03 1.99 2cv6A1 PRO 63 HG3 0.03 -0.00 -0.22 -0.04 2.03 1.80 2cv6A1 PRO 63 HD2 0.05 0.05 0.09 -0.04 3.68 3.83 2cv6A1 PRO 63 HD3 0.03 0.07 -0.15 -0.04 3.65 3.55 2cv6A1 ASN 64 H 0.03 0.50 0.22 -0.55 8.53 8.73 2cv6A1 ASN 64 HA 0.01 0.16 0.42 -0.75 4.76 4.59 2cv6A1 ASN 64 HB2 0.01 0.06 -0.17 -0.04 2.88 2.73 2cv6A1 ASN 64 HB3 -0.02 -0.04 0.22 -0.04 2.79 2.91 2cv6A1 ASN 64 HD21 0.00 -0.05 0.01 -0.04 7.03 6.94 2cv6A1 ASN 64 HD22 -0.01 -0.10 -0.07 -0.04 7.74 7.53 2cv6A1 THR 65 H 0.03 0.11 -0.02 -0.55 8.28 7.85 2cv6A1 THR 65 HA -0.10 0.16 1.10 -0.75 4.39 4.79 2cv6A1 THR 65 HB -0.04 -0.10 -0.12 -0.04 4.32 4.01 2cv6A1 THR 65 HG23 0.02 0.06 -0.29 -0.04 1.22 0.97 2cv6A1 LEU 66 H -0.02 0.53 0.31 -0.55 8.37 8.64 2cv6A1 LEU 66 HA 0.08 0.24 1.04 -0.75 4.35 4.95 2cv6A1 LEU 66 HB2 -0.04 0.02 -0.10 -0.04 1.64 1.48 2cv6A1 LEU 66 HB3 -0.06 0.00 -0.07 -0.04 1.64 1.48 2cv6A1 LEU 66 HG -0.04 -0.04 -0.75 -0.04 1.64 0.77 2cv6A1 LEU 66 HD13 -0.22 0.04 -0.15 -0.04 0.93 0.55 2cv6A1 LEU 66 HD23 -0.14 -0.02 -0.15 -0.04 0.89 0.53 2cv6A1 LEU 67 H 0.12 0.74 0.32 -0.55 8.37 9.01 2cv6A1 LEU 67 HA 0.13 0.12 0.78 -0.75 4.35 4.63 2cv6A1 LEU 67 HB2 0.18 -0.05 0.02 -0.04 1.64 1.75 2cv6A1 LEU 67 HB3 0.05 -0.20 0.26 -0.04 1.64 1.71 2cv6A1 LEU 67 HG 0.09 0.19 -0.14 -0.04 1.64 1.75 2cv6A1 LEU 67 HD13 0.24 0.01 -0.11 -0.04 0.93 1.02 2cv6A1 LEU 67 HD23 -0.24 -0.02 -0.12 -0.04 0.89 0.46 2cv6A1 LEU 68 H 0.05 0.67 0.31 -0.55 8.37 8.84 2cv6A1 LEU 68 HA 0.01 0.04 0.34 -0.75 4.35 3.99 2cv6A1 LEU 68 HB2 0.11 -0.09 0.09 -0.04 1.64 1.71 2cv6A1 LEU 68 HB3 0.07 -0.02 0.11 -0.04 1.64 1.75 2cv6A1 LEU 68 HG -0.03 0.30 0.10 -0.04 1.64 1.96 2cv6A1 LEU 68 HD13 -0.05 -0.03 -0.04 -0.04 0.93 0.77 2cv6A1 LEU 68 HD23 -0.04 -0.02 -0.07 -0.04 0.89 0.72 2cv6A1 PRO 69 HA 0.09 0.40 0.60 -0.51 4.44 5.03 2cv6A1 PRO 69 HB2 0.12 -0.11 0.08 -0.04 2.28 2.34 2cv6A1 PRO 69 HB3 0.16 0.06 0.06 -0.04 2.02 2.26 2cv6A1 PRO 69 HG2 0.05 0.02 0.05 -0.04 2.03 2.11 2cv6A1 PRO 69 HG3 0.09 0.08 0.05 -0.04 2.03 2.20 2cv6A1 PRO 69 HD2 0.06 0.00 0.18 -0.04 3.68 3.89 2cv6A1 PRO 69 HD3 -0.02 0.11 0.21 -0.04 3.65 3.90 2cv6A1 HIS 70 H -0.21 0.51 0.49 -0.55 8.41 8.66 2cv6A1 HIS 70 HA 0.09 0.05 0.64 -0.75 4.63 4.67 2cv6A1 HIS 70 HB2 -0.70 0.08 -0.10 -0.04 3.26 2.50 2cv6A1 HIS 70 HB3 -0.82 0.05 -0.22 -0.04 3.20 2.17 2cv6A1 HIS 70 HD2 -0.34 -0.11 -0.28 -0.04 6.97 6.20 2cv6A1 HIS 70 HE1 -0.43 -0.03 -0.15 -0.04 7.75 7.10 2cv6A1 HIS 71 H 0.08 0.53 0.37 -0.55 8.41 8.85 2cv6A1 HIS 71 HA -0.03 0.21 0.62 -0.75 4.63 4.67 2cv6A1 HIS 71 HB2 0.02 -0.03 -0.27 -0.04 3.26 2.94 2cv6A1 HIS 71 HB3 0.02 -0.00 -0.33 -0.04 3.20 2.85 2cv6A1 HIS 71 HD2 0.11 -0.03 0.05 -0.04 6.97 7.06 2cv6A1 HIS 71 HE1 -0.54 -0.02 -0.05 -0.04 7.75 7.09 2cv6A1 ALA 72 H 0.13 0.22 0.17 -0.55 8.40 8.37 2cv6A1 ALA 72 HA 0.16 0.51 1.01 -0.75 4.34 5.27 2cv6A1 ALA 72 HB3 0.14 -0.01 -0.10 -0.04 1.41 1.40 2cv6A1 ASP 73 H 0.15 0.10 0.14 -0.55 8.40 8.24 2cv6A1 ASP 73 HA -0.02 0.24 0.87 -0.75 4.63 4.96 2cv6A1 ASP 73 HB2 0.01 -0.04 0.28 -0.04 2.71 2.92 2cv6A1 ASP 73 HB3 0.05 0.10 0.11 -0.04 2.70 2.91 2cv6A1 ALA 74 H -0.28 0.29 -0.46 -0.55 8.40 7.41 2cv6A1 ALA 74 HA -0.20 0.25 0.73 -0.75 4.34 4.36 2cv6A1 ALA 74 HB3 -0.53 -0.05 -0.31 -0.04 1.41 0.48 2cv6A1 ASP 75 H -0.20 0.54 0.26 -0.55 8.40 8.45 2cv6A1 ASP 75 HA -0.16 0.11 0.55 -0.75 4.63 4.38 2cv6A1 ASP 75 HB2 -0.07 0.08 0.14 -0.04 2.71 2.81 2cv6A1 ASP 75 HB3 -0.03 -0.03 -0.04 -0.04 2.70 2.56 2cv6A1 PHE 76 H 0.01 0.15 0.10 -0.55 8.34 8.05 2cv6A1 PHE 76 HA -0.09 0.33 0.93 -0.75 4.62 5.03 2cv6A1 PHE 76 HB2 -0.21 0.09 0.07 -0.04 3.15 3.05 2cv6A1 PHE 76 HB3 -0.17 -0.03 -0.17 -0.04 3.06 2.64 2cv6A1 PHE 76 HD2 -0.21 0.10 -0.10 -0.04 7.28 7.02 2cv6A1 PHE 76 HE2 -0.23 -0.05 -0.18 -0.04 7.38 6.88 2cv6A1 PHE 76 HZ -0.58 -0.06 -0.20 -0.04 7.32 6.45 2cv6A1 LEU 77 H 0.14 0.70 0.23 -0.55 8.37 8.90 2cv6A1 LEU 77 HA 0.10 0.07 0.72 -0.75 4.35 4.48 2cv6A1 LEU 77 HB2 0.14 0.03 0.01 -0.04 1.64 1.78 2cv6A1 LEU 77 HB3 0.17 -0.08 0.18 -0.04 1.64 1.87 2cv6A1 LEU 77 HG 0.23 -0.01 -0.25 -0.04 1.64 1.57 2cv6A1 LEU 77 HD13 0.19 0.00 -0.17 -0.04 0.93 0.91 2cv6A1 LEU 77 HD23 0.29 0.00 -0.14 -0.04 0.89 1.00 2cv6A1 LEU 78 H 0.00 0.69 0.17 -0.55 8.37 8.68 2cv6A1 LEU 78 HA -0.05 0.21 1.02 -0.75 4.35 4.78 2cv6A1 LEU 78 HB2 -0.14 0.03 -0.07 -0.04 1.64 1.41 2cv6A1 LEU 78 HB3 -0.10 -0.01 0.06 -0.04 1.64 1.55 2cv6A1 LEU 78 HG -0.12 0.06 -0.06 -0.04 1.64 1.48 2cv6A1 LEU 78 HD13 -0.25 -0.01 -0.17 -0.04 0.93 0.46 2cv6A1 LEU 78 HD23 -0.09 -0.02 -0.28 -0.04 0.89 0.46 2cv6A1 VAL 79 H -0.04 0.62 0.34 -0.55 8.24 8.62 2cv6A1 VAL 79 HA -0.16 0.40 1.06 -0.75 4.13 4.67 2cv6A1 VAL 79 HB -0.17 -0.01 0.05 -0.04 2.12 1.95 2cv6A1 VAL 79 HG13 -0.84 -0.02 -0.26 -0.04 0.97 -0.19 2cv6A1 VAL 79 HG23 -0.14 -0.01 -0.28 -0.04 0.95 0.47 2cv6A1 VAL 80 H -0.14 0.59 0.21 -0.55 8.24 8.34 2cv6A1 VAL 80 HA -0.06 0.16 0.91 -0.75 4.13 4.39 2cv6A1 VAL 80 HB -0.02 -0.05 0.13 -0.04 2.12 2.13 2cv6A1 VAL 80 HG13 -0.01 -0.01 -0.44 -0.04 0.97 0.48 2cv6A1 VAL 80 HG23 -0.05 0.02 -0.20 -0.04 0.95 0.69 2cv6A1 LEU 81 H -0.06 0.37 0.28 -0.55 8.37 8.41 2cv6A1 LEU 81 HA -0.03 0.01 0.40 -0.75 4.35 3.98 2cv6A1 LEU 81 HB2 0.04 0.02 0.03 -0.04 1.64 1.68 2cv6A1 LEU 81 HB3 0.11 -0.03 -0.05 -0.04 1.64 1.62 2cv6A1 LEU 81 HG -0.04 -0.01 -0.10 -0.04 1.64 1.45 2cv6A1 LEU 81 HD13 0.12 -0.00 -0.11 -0.04 0.93 0.90 2cv6A1 LEU 81 HD23 -0.16 -0.02 -0.10 -0.04 0.89 0.58 2cv6A1 ASN 82 H 0.03 0.37 0.15 -0.55 8.53 8.53 2cv6A1 ASN 82 HA 0.05 0.12 0.78 -0.75 4.76 4.96 2cv6A1 ASN 82 HB2 0.07 0.05 -0.19 -0.04 2.88 2.76 2cv6A1 ASN 82 HB3 0.04 -0.05 0.01 -0.04 2.79 2.75 2cv6A1 ASN 82 HD21 0.03 -0.03 0.03 -0.04 7.03 7.03 2cv6A1 ASN 82 HD22 0.05 0.07 0.08 -0.04 7.74 7.90 2cv6A1 GLY 83 H 0.03 0.10 0.18 -0.55 8.43 8.19 2cv6A1 GLY 83 HA2 0.02 -0.02 0.34 -0.51 4.01 3.83 2cv6A1 GLY 83 HA3 0.02 0.33 0.86 -0.51 4.01 4.72 2cv6A1 ARG 84 H 0.01 0.28 0.17 -0.55 8.46 8.36 2cv6A1 ARG 84 HA -0.04 0.31 0.76 -0.75 4.34 4.62 2cv6A1 ARG 84 HB2 -0.06 0.10 0.02 -0.04 1.90 1.93 2cv6A1 ARG 84 HB3 -0.04 -0.05 -0.04 -0.04 1.80 1.64 2cv6A1 ARG 84 HG2 -0.00 -0.11 0.09 -0.04 1.67 1.61 2cv6A1 ARG 84 HG3 -0.01 -0.01 -0.03 -0.04 1.67 1.58 2cv6A1 ARG 84 HD2 -0.02 0.06 -0.06 -0.04 3.22 3.15 2cv6A1 ARG 84 HD3 -0.02 0.00 -0.05 -0.04 3.22 3.11 2cv6A1 ALA 85 H -0.04 0.43 0.29 -0.55 8.40 8.53 2cv6A1 ALA 85 HA 0.03 0.25 1.13 -0.75 4.34 5.00 2cv6A1 ALA 85 HB3 0.04 -0.01 -0.11 -0.04 1.41 1.29 2cv6A1 VAL 86 H 0.06 0.69 0.39 -0.55 8.24 8.83 2cv6A1 VAL 86 HA 0.01 0.21 1.12 -0.75 4.13 4.72 2cv6A1 VAL 86 HB 0.04 -0.05 0.08 -0.04 2.12 2.15 2cv6A1 VAL 86 HG13 0.10 0.06 0.18 -0.04 0.97 1.28 2cv6A1 VAL 86 HG23 0.09 0.01 -0.17 -0.04 0.95 0.84 2cv6A1 LEU 87 H -0.01 0.40 0.26 -0.55 8.37 8.48 2cv6A1 LEU 87 HA 0.01 0.19 0.88 -0.75 4.35 4.67 2cv6A1 LEU 87 HB2 -0.03 -0.06 -0.03 -0.04 1.64 1.47 2cv6A1 LEU 87 HB3 -0.04 0.01 0.11 -0.04 1.64 1.67 2cv6A1 LEU 87 HG -0.08 0.02 -0.30 -0.04 1.64 1.23 2cv6A1 LEU 87 HD13 -0.02 0.01 -0.06 -0.04 0.93 0.82 2cv6A1 LEU 87 HD23 -0.11 -0.00 -0.15 -0.04 0.89 0.59 2cv6A1 THR 88 H -0.23 0.57 0.39 -0.55 8.28 8.46 2cv6A1 THR 88 HA -0.20 0.29 1.27 -0.75 4.39 5.00 2cv6A1 THR 88 HB -2.09 -0.03 0.11 -0.04 4.32 2.26 2cv6A1 THR 88 HG23 -0.34 -0.02 -0.28 -0.04 1.22 0.54 2cv6A1 LEU 89 H -0.13 0.75 0.41 -0.55 8.37 8.85 2cv6A1 LEU 89 HA -0.04 0.27 1.07 -0.75 4.35 4.90 2cv6A1 LEU 89 HB2 -0.05 -0.04 0.13 -0.04 1.64 1.63 2cv6A1 LEU 89 HB3 -0.04 0.05 0.04 -0.04 1.64 1.66 2cv6A1 LEU 89 HG -0.08 -0.01 -0.04 -0.04 1.64 1.47 2cv6A1 LEU 89 HD13 -0.06 0.02 0.01 -0.04 0.93 0.85 2cv6A1 LEU 89 HD23 -0.12 -0.00 -0.25 -0.04 0.89 0.47 2cv6A1 VAL 90 H -0.01 0.69 0.30 -0.55 8.24 8.67 2cv6A1 VAL 90 HA -0.02 0.13 1.02 -0.75 4.13 4.50 2cv6A1 VAL 90 HB 0.02 -0.00 -0.03 -0.04 2.12 2.06 2cv6A1 VAL 90 HG13 0.01 -0.00 -0.25 -0.04 0.97 0.69 2cv6A1 VAL 90 HG23 0.03 0.02 -0.13 -0.04 0.95 0.84 2cv6A1 ASN 91 H -0.01 0.62 0.28 -0.55 8.53 8.87 2cv6A1 ASN 91 HA -0.02 0.21 0.90 -0.75 4.76 5.09 2cv6A1 ASN 91 HB2 -0.02 -0.04 0.09 -0.04 2.88 2.87 2cv6A1 ASN 91 HB3 -0.02 -0.03 0.12 -0.04 2.79 2.82 2cv6A1 ASN 91 HD21 -0.02 0.01 -0.23 -0.04 7.03 6.75 2cv6A1 ASN 91 HD22 -0.02 0.18 -0.13 -0.04 7.74 7.73 2cv6A1 PRO 92 HA -0.01 0.09 0.37 -0.51 4.44 4.38 2cv6A1 PRO 92 HB2 -0.02 0.04 0.02 -0.04 2.28 2.28 2cv6A1 PRO 92 HB3 -0.02 0.03 0.13 -0.04 2.02 2.11 2cv6A1 PRO 92 HG2 -0.02 0.00 0.06 -0.04 2.03 2.03 2cv6A1 PRO 92 HG3 -0.03 0.06 0.08 -0.04 2.03 2.10 2cv6A1 PRO 92 HD2 -0.02 0.11 0.24 -0.04 3.68 3.97 2cv6A1 PRO 92 HD3 -0.03 0.16 0.19 -0.04 3.65 3.93 2cv6A1 ASP 93 H -0.01 0.01 -0.50 -0.55 8.40 7.35 2cv6A1 ASP 93 HA -0.01 0.23 0.94 -0.75 4.63 5.03 2cv6A1 ASP 93 HB2 -0.01 0.00 0.11 -0.04 2.71 2.76 2cv6A1 ASP 93 HB3 -0.01 -0.04 -0.05 -0.04 2.70 2.56 2cv6A1 GLY 94 H -0.01 0.36 -0.03 -0.55 8.43 8.20 2cv6A1 GLY 94 HA2 -0.01 0.02 0.39 -0.51 4.01 3.90 2cv6A1 GLY 94 HA3 -0.01 0.12 0.43 -0.51 4.01 4.04 2cv6A1 ARG 95 H -0.02 0.14 0.19 -0.55 8.46 8.22 2cv6A1 ARG 95 HA -0.03 0.23 0.91 -0.75 4.34 4.69 2cv6A1 ARG 95 HB2 -0.02 -0.02 0.03 -0.04 1.90 1.85 2cv6A1 ARG 95 HB3 -0.03 -0.02 0.08 -0.04 1.80 1.78 2cv6A1 ARG 95 HG2 -0.05 0.00 -0.17 -0.04 1.67 1.41 2cv6A1 ARG 95 HG3 -0.03 0.03 -0.07 -0.04 1.67 1.56 2cv6A1 ARG 95 HD2 -0.10 -0.02 -0.11 -0.04 3.22 2.95 2cv6A1 ARG 95 HD3 -0.04 -0.01 -0.12 -0.04 3.22 3.01 2cv6A1 ASP 96 H -0.06 0.55 0.29 -0.55 8.40 8.64 2cv6A1 ASP 96 HA -0.02 0.07 0.73 -0.75 4.63 4.66 2cv6A1 ASP 96 HB2 -0.02 0.04 -0.23 -0.04 2.71 2.46 2cv6A1 ASP 96 HB3 -0.04 -0.02 0.13 -0.04 2.70 2.73 2cv6A1 SER 97 H 0.00 0.23 0.15 -0.55 8.46 8.30 2cv6A1 SER 97 HA -0.05 0.40 1.19 -0.75 4.49 5.29 2cv6A1 SER 97 HB2 0.07 -0.08 -0.13 -0.04 3.95 3.76 2cv6A1 SER 97 HB3 0.04 0.00 -0.09 -0.04 3.93 3.85 2cv6A1 ASN 98 H -0.01 0.63 0.34 -0.55 8.53 8.94 2cv6A1 ASN 98 HA 0.01 -0.02 0.74 -0.75 4.76 4.74 2cv6A1 ASN 98 HB2 -0.00 -0.01 -0.00 -0.04 2.88 2.82 2cv6A1 ASN 98 HB3 0.01 0.09 0.10 -0.04 2.79 2.95 2cv6A1 ASN 98 HD21 0.00 0.02 0.06 -0.04 7.03 7.08 2cv6A1 ASN 98 HD22 -0.01 0.02 -0.14 -0.04 7.74 7.57 2cv6A1 ILE 99 H -0.01 0.21 0.22 -0.55 8.25 8.11 2cv6A1 ILE 99 HA -0.03 0.16 0.93 -0.75 4.18 4.49 2cv6A1 ILE 99 HB -0.02 0.01 0.04 -0.04 1.89 1.88 2cv6A1 ILE 99 HG12 -0.11 -0.04 -0.42 -0.04 1.49 0.89 2cv6A1 ILE 99 HG13 -0.09 0.03 -0.23 -0.04 1.21 0.88 2cv6A1 ILE 99 HG23 -0.01 -0.01 0.08 -0.04 0.93 0.95 2cv6A1 ILE 99 HD13 -0.04 -0.01 -0.10 -0.04 0.88 0.70 2cv6A1 LEU 100 H -0.10 0.65 0.34 -0.55 8.37 8.71 2cv6A1 LEU 100 HA -0.48 0.15 0.93 -0.75 4.35 4.19 2cv6A1 LEU 100 HB2 -0.09 -0.03 0.13 -0.04 1.64 1.60 2cv6A1 LEU 100 HB3 -0.12 0.03 -0.05 -0.04 1.64 1.46 2cv6A1 LEU 100 HG -0.06 -0.02 -0.46 -0.04 1.64 1.07 2cv6A1 LEU 100 HD13 -0.05 -0.00 -0.17 -0.04 0.93 0.66 2cv6A1 LEU 100 HD23 0.03 0.01 -0.11 -0.04 0.89 0.77 2cv6A1 GLU 101 H -1.62 0.14 0.09 -0.55 8.60 6.66 2cv6A1 GLU 101 HA -0.14 0.12 0.76 -0.75 4.29 4.28 2cv6A1 GLU 101 HB2 -0.02 0.02 0.01 -0.04 2.09 2.06 2cv6A1 GLU 101 HB3 -0.01 0.01 0.11 -0.04 1.99 2.06 2cv6A1 GLU 101 HG2 -0.23 -0.03 -0.13 -0.04 2.34 1.92 2cv6A1 GLU 101 HG3 -0.02 0.03 -0.03 -0.04 2.34 2.28 2cv6A1 GLN 102 H 0.01 0.08 0.19 -0.55 8.47 8.21 2cv6A1 GLN 102 HA 0.04 0.10 0.35 -0.75 4.36 4.10 2cv6A1 GLN 102 HB2 0.06 0.16 -0.10 -0.04 2.15 2.23 2cv6A1 GLN 102 HB3 0.03 -0.07 0.21 -0.04 2.02 2.15 2cv6A1 GLN 102 HG2 0.04 -0.07 0.10 -0.04 2.40 2.42 2cv6A1 GLN 102 HG3 0.06 0.03 -0.26 -0.04 2.39 2.18 2cv6A1 GLN 102 HE21 0.03 -0.03 0.02 -0.04 6.97 6.96 2cv6A1 GLN 102 HE22 0.02 -0.02 0.00 -0.04 7.69 7.65 2cv6A1 GLY 103 H 0.07 0.63 0.36 -0.55 8.43 8.94 2cv6A1 GLY 103 HA2 0.35 -0.02 0.35 -0.51 4.01 4.18 2cv6A1 GLY 103 HA3 0.09 0.10 0.79 -0.51 4.01 4.48 2cv6A1 HIS 104 H 0.16 0.41 0.07 -0.55 8.41 8.51 2cv6A1 HIS 104 HA -0.17 0.13 0.82 -0.75 4.63 4.65 2cv6A1 HIS 104 HB2 -0.09 0.10 0.10 -0.04 3.26 3.33 2cv6A1 HIS 104 HB3 -0.14 0.06 -0.00 -0.04 3.20 3.08 2cv6A1 HIS 104 HD2 -0.05 0.11 -0.09 -0.04 6.97 6.89 2cv6A1 HIS 104 HE1 -0.03 0.03 -0.09 -0.04 7.75 7.62 2cv6A1 ALA 105 H -0.47 0.66 0.44 -0.55 8.40 8.48 2cv6A1 ALA 105 HA -0.20 0.50 1.09 -0.75 4.34 4.97 2cv6A1 ALA 105 HB3 -0.54 -0.05 -0.07 -0.04 1.41 0.71 2cv6A1 GLN 106 H -0.09 0.44 0.25 -0.55 8.47 8.53 2cv6A1 GLN 106 HA 0.16 -0.03 0.37 -0.75 4.36 4.10 2cv6A1 GLN 106 HB2 -0.01 0.11 0.06 -0.04 2.15 2.26 2cv6A1 GLN 106 HB3 -0.05 -0.04 -0.12 -0.04 2.02 1.77 2cv6A1 GLN 106 HG2 0.01 0.31 -0.22 -0.04 2.40 2.45 2cv6A1 GLN 106 HG3 0.08 -0.06 -0.06 -0.04 2.39 2.31 2cv6A1 GLN 106 HE21 -0.01 -0.04 0.03 -0.04 6.97 6.91 2cv6A1 GLN 106 HE22 0.02 0.16 0.03 -0.04 7.69 7.85 2cv6A1 LYS 107 H 0.14 0.10 0.09 -0.55 8.42 8.21 2cv6A1 LYS 107 HA 0.06 0.22 0.73 -0.75 4.32 4.58 2cv6A1 LYS 107 HB2 0.09 -0.06 0.05 -0.04 1.87 1.91 2cv6A1 LYS 107 HB3 0.06 0.03 0.09 -0.04 1.79 1.92 2cv6A1 LYS 107 HG2 0.01 0.01 -0.29 -0.04 1.46 1.15 2cv6A1 LYS 107 HG3 0.03 -0.04 -0.08 -0.04 1.46 1.34 2cv6A1 LYS 107 HD2 0.04 0.05 0.02 -0.04 1.69 1.75 2cv6A1 LYS 107 HD3 0.01 0.02 -0.03 -0.04 1.68 1.65 2cv6A1 LYS 107 HE2 0.01 -0.01 -0.08 -0.04 2.99 2.87 2cv6A1 LYS 107 HE3 0.01 0.01 -0.04 -0.04 2.99 2.93 2cv6A1 ILE 108 H 0.01 0.44 0.29 -0.55 8.25 8.45 2cv6A1 ILE 108 HA -0.10 0.23 0.92 -0.75 4.18 4.48 2cv6A1 ILE 108 HB -0.02 -0.09 0.18 -0.04 1.89 1.92 2cv6A1 ILE 108 HG12 -0.25 0.08 -0.16 -0.04 1.49 1.11 2cv6A1 ILE 108 HG13 -0.16 0.05 -0.31 -0.04 1.21 0.75 2cv6A1 ILE 108 HG23 -0.38 0.02 -0.06 -0.04 0.93 0.47 2cv6A1 ILE 108 HD13 -0.74 -0.02 -0.13 -0.04 0.88 -0.06 2cv6A1 PRO 109 HA -0.05 -0.06 0.39 -0.51 4.44 4.21 2cv6A1 PRO 109 HB2 -0.04 0.02 -0.03 -0.04 2.28 2.19 2cv6A1 PRO 109 HB3 -0.03 0.03 0.05 -0.04 2.02 2.03 2cv6A1 PRO 109 HG2 -0.03 0.07 0.03 -0.04 2.03 2.06 2cv6A1 PRO 109 HG3 -0.02 0.01 0.02 -0.04 2.03 2.00 2cv6A1 PRO 109 HD2 -0.05 0.12 0.13 -0.04 3.68 3.83 2cv6A1 PRO 109 HD3 -0.04 0.29 -0.06 -0.04 3.65 3.80 2cv6A1 ALA 110 H -0.08 0.04 0.11 -0.55 8.40 7.92 2cv6A1 ALA 110 HA -0.14 0.29 0.37 -0.75 4.34 4.10 2cv6A1 ALA 110 HB3 -0.10 -0.04 -0.17 -0.04 1.41 1.06 2cv6A1 GLY 111 H -0.00 0.27 0.30 -0.55 8.43 8.45 2cv6A1 GLY 111 HA2 0.18 -0.00 0.33 -0.51 4.01 4.01 2cv6A1 GLY 111 HA3 0.01 0.11 0.68 -0.51 4.01 4.30 2cv6A1 THR 112 H 0.01 0.44 -0.20 -0.55 8.28 7.98 2cv6A1 THR 112 HA -0.00 0.04 0.53 -0.75 4.39 4.20 2cv6A1 THR 112 HB -0.02 0.01 0.10 -0.04 4.32 4.37 2cv6A1 THR 112 HG23 0.00 0.06 -0.09 -0.04 1.22 1.15 2cv6A1 THR 113 H -0.00 0.14 0.29 -0.55 8.28 8.17 2cv6A1 THR 113 HA 0.11 0.15 0.45 -0.75 4.39 4.35 2cv6A1 THR 113 HB 0.03 -0.00 0.13 -0.04 4.32 4.43 2cv6A1 THR 113 HG23 0.08 -0.02 -0.06 -0.04 1.22 1.19 2cv6A1 PHE 114 H -0.18 0.45 0.50 -0.55 8.34 8.56 2cv6A1 PHE 114 HA -0.17 0.15 0.80 -0.75 4.62 4.65 2cv6A1 PHE 114 HB2 -0.18 0.03 0.20 -0.04 3.15 3.17 2cv6A1 PHE 114 HB3 -0.11 0.05 -0.18 -0.04 3.06 2.78 2cv6A1 PHE 114 HD2 -0.12 0.16 -0.03 -0.04 7.28 7.25 2cv6A1 PHE 114 HE2 -0.16 -0.11 -0.13 -0.04 7.38 6.94 2cv6A1 PHE 114 HZ -0.09 -0.07 -0.16 -0.04 7.32 6.96 2cv6A1 PHE 115 H -0.14 0.46 0.40 -0.55 8.34 8.50 2cv6A1 PHE 115 HA -0.20 0.14 0.53 -0.75 4.62 4.33 2cv6A1 PHE 115 HB2 -0.01 0.21 0.13 -0.04 3.15 3.44 2cv6A1 PHE 115 HB3 -0.05 0.01 -0.12 -0.04 3.06 2.85 2cv6A1 PHE 115 HD2 0.02 0.02 -0.37 -0.04 7.28 6.91 2cv6A1 PHE 115 HE2 0.03 -0.00 -0.14 -0.04 7.38 7.23 2cv6A1 PHE 115 HZ 0.02 -0.03 -0.11 -0.04 7.32 7.15 2cv6A1 LEU 116 H 0.18 0.29 0.29 -0.55 8.37 8.58 2cv6A1 LEU 116 HA 0.18 0.41 1.10 -0.75 4.35 5.29 2cv6A1 LEU 116 HB2 -0.03 -0.07 -0.04 -0.04 1.64 1.45 2cv6A1 LEU 116 HB3 0.05 -0.02 -0.07 -0.04 1.64 1.57 2cv6A1 LEU 116 HG 0.06 0.05 -0.18 -0.04 1.64 1.54 2cv6A1 LEU 116 HD13 0.12 -0.04 -0.25 -0.04 0.93 0.71 2cv6A1 LEU 116 HD23 -0.19 -0.01 -0.20 -0.04 0.89 0.46 2cv6A1 VAL 117 H 0.13 0.37 0.30 -0.55 8.24 8.50 2cv6A1 VAL 117 HA 0.11 0.27 0.93 -0.75 4.13 4.68 2cv6A1 VAL 117 HB 0.05 0.07 0.06 -0.04 2.12 2.25 2cv6A1 VAL 117 HG13 0.19 0.04 -0.21 -0.04 0.97 0.95 2cv6A1 VAL 117 HG23 0.06 -0.02 -0.28 -0.04 0.95 0.67 2cv6A1 ASN 118 H 0.08 0.51 0.19 -0.55 8.53 8.76 2cv6A1 ASN 118 HA 0.06 0.19 0.90 -0.75 4.76 5.15 2cv6A1 ASN 118 HB2 0.10 -0.01 -0.01 -0.04 2.88 2.92 2cv6A1 ASN 118 HB3 0.06 -0.07 0.19 -0.04 2.79 2.93 2cv6A1 ASN 118 HD21 0.03 0.34 0.02 -0.04 7.03 7.38 2cv6A1 ASN 118 HD22 0.04 0.13 -0.74 -0.04 7.74 7.13 2cv6A1 PRO 119 HA 0.02 0.07 0.41 -0.51 4.44 4.43 2cv6A1 PRO 119 HB2 0.01 0.00 -0.06 -0.04 2.28 2.19 2cv6A1 PRO 119 HB3 0.02 0.09 0.03 -0.04 2.02 2.12 2cv6A1 PRO 119 HG2 0.01 -0.09 0.07 -0.04 2.03 1.98 2cv6A1 PRO 119 HG3 0.01 0.03 -0.05 -0.04 2.03 1.97 2cv6A1 PRO 119 HD2 0.03 0.35 0.47 -0.04 3.68 4.50 2cv6A1 PRO 119 HD3 0.04 0.19 0.19 -0.04 3.65 4.02 2cv6A1 ASP 120 H 0.02 0.14 -0.08 -0.55 8.40 7.92 2cv6A1 ASP 120 HA 0.01 0.03 0.35 -0.75 4.63 4.26 2cv6A1 ASP 120 HB2 0.01 0.06 0.16 -0.04 2.71 2.90 2cv6A1 ASP 120 HB3 0.02 0.17 0.08 -0.04 2.70 2.92 2cv6A1 ASP 121 H 0.01 0.07 0.19 -0.55 8.40 8.13 2cv6A1 ASP 121 HA 0.02 0.30 0.90 -0.75 4.63 5.09 2cv6A1 ASP 121 HB2 0.01 0.02 0.10 -0.04 2.71 2.79 2cv6A1 ASP 121 HB3 0.01 -0.02 0.06 -0.04 2.70 2.71 2cv6A1 GLU 122 H 0.02 -0.24 0.04 -0.55 8.60 7.88 2cv6A1 GLU 122 HA 0.02 0.16 0.42 -0.75 4.29 4.14 2cv6A1 GLU 122 HB2 0.01 -0.01 0.13 -0.04 2.09 2.19 2cv6A1 GLU 122 HB3 0.01 0.17 -0.02 -0.04 1.99 2.12 2cv6A1 GLU 122 HG2 0.01 -0.05 -0.11 -0.04 2.34 2.15 2cv6A1 GLU 122 HG3 0.01 0.02 -0.09 -0.04 2.34 2.24 2cv6A1 GLU 123 H 0.02 -0.18 0.13 -0.55 8.60 8.02 2cv6A1 GLU 123 HA 0.02 0.15 0.81 -0.75 4.29 4.50 2cv6A1 GLU 123 HB2 0.01 -0.02 0.08 -0.04 2.09 2.12 2cv6A1 GLU 123 HB3 0.01 -0.07 0.16 -0.04 1.99 2.05 2cv6A1 GLU 123 HG2 0.02 -0.07 0.03 -0.04 2.34 2.27 2cv6A1 GLU 123 HG3 0.02 0.27 -0.06 -0.04 2.34 2.53 2cv6A1 ASN 124 H 0.01 0.09 0.11 -0.55 8.53 8.20 2cv6A1 ASN 124 HA 0.01 0.19 0.55 -0.75 4.76 4.76 2cv6A1 ASN 124 HB2 0.01 -0.06 0.03 -0.04 2.88 2.82 2cv6A1 ASN 124 HB3 -0.01 0.04 -0.07 -0.04 2.79 2.70 2cv6A1 ASN 124 HD21 -0.01 0.01 -0.05 -0.04 7.03 6.95 2cv6A1 ASN 124 HD22 -0.01 -0.02 -0.05 -0.04 7.74 7.63 2cv6A1 LEU 125 H 0.00 0.55 0.26 -0.55 8.37 8.63 2cv6A1 LEU 125 HA 0.04 0.27 0.97 -0.75 4.35 4.87 2cv6A1 LEU 125 HB2 0.07 0.02 -0.04 -0.04 1.64 1.65 2cv6A1 LEU 125 HB3 0.09 -0.00 0.13 -0.04 1.64 1.82 2cv6A1 LEU 125 HG 0.18 -0.02 -0.42 -0.04 1.64 1.33 2cv6A1 LEU 125 HD13 0.05 0.03 -0.26 -0.04 0.93 0.71 2cv6A1 LEU 125 HD23 0.19 -0.00 -0.24 -0.04 0.89 0.80 2cv6A1 ARG 126 H 0.04 0.65 0.28 -0.55 8.46 8.88 2cv6A1 ARG 126 HA 0.02 0.33 1.10 -0.75 4.34 5.04 2cv6A1 ARG 126 HB2 0.04 -0.14 0.18 -0.04 1.90 1.94 2cv6A1 ARG 126 HB3 0.05 0.03 0.03 -0.04 1.80 1.86 2cv6A1 ARG 126 HG2 0.00 0.07 -0.06 -0.04 1.67 1.64 2cv6A1 ARG 126 HG3 0.02 -0.04 -0.35 -0.04 1.67 1.26 2cv6A1 ARG 126 HD2 0.04 -0.01 -0.07 -0.04 3.22 3.13 2cv6A1 ARG 126 HD3 0.05 -0.03 -0.08 -0.04 3.22 3.11 2cv6A1 ILE 127 H 0.11 0.64 0.35 -0.55 8.25 8.80 2cv6A1 ILE 127 HA 0.01 0.10 1.22 -0.75 4.18 4.76 2cv6A1 ILE 127 HB 0.23 -0.04 -0.00 -0.04 1.89 2.04 2cv6A1 ILE 127 HG12 0.01 0.07 -0.15 -0.04 1.49 1.37 2cv6A1 ILE 127 HG13 0.10 -0.11 -0.57 -0.04 1.21 0.59 2cv6A1 ILE 127 HG23 -0.02 0.03 -0.28 -0.04 0.93 0.62 2cv6A1 ILE 127 HD13 0.02 -0.00 -0.24 -0.04 0.88 0.62 2cv6A1 ILE 128 H -0.01 0.56 0.40 -0.55 8.25 8.64 2cv6A1 ILE 128 HA 0.11 0.24 1.03 -0.75 4.18 4.81 2cv6A1 ILE 128 HB 0.10 -0.06 0.01 -0.04 1.89 1.89 2cv6A1 ILE 128 HG12 0.45 -0.03 -0.09 -0.04 1.49 1.78 2cv6A1 ILE 128 HG13 0.22 0.02 -0.04 -0.04 1.21 1.36 2cv6A1 ILE 128 HG23 0.10 0.01 -0.07 -0.04 0.93 0.93 2cv6A1 ILE 128 HD13 0.23 0.03 -0.01 -0.04 0.88 1.08 2cv6A1 LYS 129 H 0.08 0.51 0.35 -0.55 8.42 8.80 2cv6A1 LYS 129 HA -0.01 0.30 0.99 -0.75 4.32 4.85 2cv6A1 LYS 129 HB2 -0.10 0.01 -0.07 -0.04 1.87 1.67 2cv6A1 LYS 129 HB3 -0.26 -0.01 -0.17 -0.04 1.79 1.32 2cv6A1 LYS 129 HG2 -0.25 0.08 -0.11 -0.04 1.46 1.15 2cv6A1 LYS 129 HG3 -0.17 -0.02 -0.27 -0.04 1.46 0.95 2cv6A1 LYS 129 HD2 -1.38 -0.00 -0.21 -0.04 1.69 0.06 2cv6A1 LYS 129 HD3 -0.66 0.01 -0.20 -0.04 1.68 0.80 2cv6A1 LYS 129 HE2 -0.22 -0.02 -0.24 -0.04 2.99 2.47 2cv6A1 LYS 129 HE3 -0.22 -0.02 -0.24 -0.04 2.99 2.46 2cv6A1 LEU 130 H -0.01 0.51 0.27 -0.55 8.37 8.59 2cv6A1 LEU 130 HA -0.15 0.22 0.90 -0.75 4.35 4.56 2cv6A1 LEU 130 HB2 -0.80 -0.04 0.06 -0.04 1.64 0.82 2cv6A1 LEU 130 HB3 -0.08 -0.10 0.16 -0.04 1.64 1.58 2cv6A1 LEU 130 HG -0.08 0.09 -0.11 -0.04 1.64 1.49 2cv6A1 LEU 130 HD13 -0.39 0.04 -0.02 -0.04 0.93 0.51 2cv6A1 LEU 130 HD23 -0.41 -0.02 -0.08 -0.04 0.89 0.35 2cv6A1 ALA 131 H 0.11 0.76 0.37 -0.55 8.40 9.09 2cv6A1 ALA 131 HA 0.13 0.28 0.99 -0.75 4.34 4.99 2cv6A1 ALA 131 HB3 0.05 -0.03 -0.08 -0.04 1.41 1.31 2cv6A1 VAL 132 H -0.17 0.43 0.10 -0.55 8.24 8.04 2cv6A1 VAL 132 HA -0.11 0.48 1.00 -0.75 4.13 4.75 2cv6A1 VAL 132 HB -0.06 -0.21 0.18 -0.04 2.12 1.99 2cv6A1 VAL 132 HG13 -0.17 0.05 -0.00 -0.04 0.97 0.81 2cv6A1 VAL 132 HG23 0.17 0.00 -0.25 -0.04 0.95 0.84 2cv6A1 PRO 133 HA -0.05 0.01 0.57 -0.51 4.44 4.46 2cv6A1 PRO 133 HB2 -0.03 0.34 -0.08 -0.04 2.28 2.47 2cv6A1 PRO 133 HB3 0.08 0.03 -0.15 -0.04 2.02 1.94 2cv6A1 PRO 133 HG2 0.11 0.07 -0.46 -0.04 2.03 1.70 2cv6A1 PRO 133 HG3 0.22 -0.17 -0.32 -0.04 2.03 1.72 2cv6A1 PRO 133 HD2 -0.09 0.43 0.15 -0.04 3.68 4.13 2cv6A1 PRO 133 HD3 -0.00 0.11 -0.19 -0.04 3.65 3.52 2cv6A1 VAL 134 H -0.03 0.35 0.37 -0.55 8.24 8.38 2cv6A1 VAL 134 HA -0.06 0.21 0.78 -0.75 4.13 4.31 2cv6A1 VAL 134 HB -0.03 -0.11 0.23 -0.04 2.12 2.18 2cv6A1 VAL 134 HG13 -0.03 -0.00 -0.16 -0.04 0.97 0.73 2cv6A1 VAL 134 HG23 -0.07 0.03 -0.09 -0.04 0.95 0.79 2cv6A1 ASN 135 H -0.01 0.07 0.20 -0.55 8.53 8.25 2cv6A1 ASN 135 HA -0.02 0.09 0.49 -0.75 4.76 4.57 2cv6A1 ASN 135 HB2 0.02 -0.01 0.13 -0.04 2.88 2.98 2cv6A1 ASN 135 HB3 0.01 0.01 0.07 -0.04 2.79 2.84 2cv6A1 ASN 135 HD21 0.01 0.01 0.06 -0.04 7.03 7.07 2cv6A1 ASN 135 HD22 0.05 -0.01 0.09 -0.04 7.74 7.84 2cv6A1 ASN 136 H -0.01 0.16 -0.12 -0.55 8.53 8.02 2cv6A1 ASN 136 HA -0.05 0.26 0.89 -0.75 4.76 5.10 2cv6A1 ASN 136 HB2 0.00 -0.00 -0.11 -0.04 2.88 2.73 2cv6A1 ASN 136 HB3 0.00 0.08 0.11 -0.04 2.79 2.94 2cv6A1 ASN 136 HD21 0.07 -0.01 0.00 -0.04 7.03 7.05 2cv6A1 ASN 136 HD22 0.02 0.02 -0.01 -0.04 7.74 7.73 2cv6A1 PRO 137 HA -0.20 0.20 0.34 -0.51 4.44 4.27 2cv6A1 PRO 137 HB2 -0.56 0.04 -0.11 -0.04 2.28 1.61 2cv6A1 PRO 137 HB3 -0.24 0.04 0.06 -0.04 2.02 1.84 2cv6A1 PRO 137 HG2 -0.92 -0.05 0.06 -0.04 2.03 1.07 2cv6A1 PRO 137 HG3 -0.26 0.03 0.04 -0.04 2.03 1.81 2cv6A1 PRO 137 HD2 -0.13 0.06 0.22 -0.04 3.68 3.80 2cv6A1 PRO 137 HD3 -0.13 0.21 0.07 -0.04 3.65 3.75 2cv6A1 HIS 138 H -0.35 -0.03 -0.29 -0.55 8.41 7.19 2cv6A1 HIS 138 HA 0.01 0.45 0.79 -0.75 4.63 5.13 2cv6A1 HIS 138 HB2 0.00 -0.05 -0.03 -0.04 3.26 3.14 2cv6A1 HIS 138 HB3 0.01 -0.03 0.10 -0.04 3.20 3.24 2cv6A1 HIS 138 HD2 0.01 0.18 -0.05 -0.04 6.97 7.07 2cv6A1 HIS 138 HE1 -0.00 -0.00 -0.02 -0.04 7.75 7.68 2cv6A1 ARG 139 H 0.03 0.22 -0.18 -0.55 8.46 7.97 2cv6A1 ARG 139 HA 0.06 0.17 0.76 -0.75 4.34 4.58 2cv6A1 ARG 139 HB2 0.02 0.07 -0.26 -0.04 1.90 1.68 2cv6A1 ARG 139 HB3 0.02 -0.08 -0.08 -0.04 1.80 1.62 2cv6A1 ARG 139 HG2 -0.11 0.08 -0.21 -0.04 1.67 1.39 2cv6A1 ARG 139 HG3 -0.13 0.02 0.05 -0.04 1.67 1.57 2cv6A1 ARG 139 HD2 -0.03 -0.01 -0.06 -0.04 3.22 3.08 2cv6A1 ARG 139 HD3 -0.02 -0.06 -0.11 -0.04 3.22 2.99 2cv6A1 PHE 140 H -0.26 0.22 0.12 -0.55 8.34 7.87 2cv6A1 PHE 140 HA 0.01 0.18 0.95 -0.75 4.62 5.00 2cv6A1 PHE 140 HB2 -0.02 -0.17 -0.11 -0.04 3.15 2.81 2cv6A1 PHE 140 HB3 -0.03 0.10 -0.22 -0.04 3.06 2.87 2cv6A1 PHE 140 HD2 0.09 -0.01 -0.33 -0.04 7.28 6.99 2cv6A1 PHE 140 HE2 0.22 0.02 -0.17 -0.04 7.38 7.41 2cv6A1 PHE 140 HZ 0.24 0.01 -0.15 -0.04 7.32 7.38 2cv6A1 GLN 141 H 0.25 0.04 0.15 -0.55 8.47 8.36 2cv6A1 GLN 141 HA -0.06 0.21 0.98 -0.75 4.36 4.74 2cv6A1 GLN 141 HB2 0.18 -0.08 0.10 -0.04 2.15 2.31 2cv6A1 GLN 141 HB3 -0.16 0.08 -0.08 -0.04 2.02 1.82 2cv6A1 GLN 141 HG2 -0.04 0.01 -0.19 -0.04 2.40 2.13 2cv6A1 GLN 141 HG3 -0.04 -0.01 -0.05 -0.04 2.39 2.26 2cv6A1 GLN 141 HE21 -0.11 0.01 0.03 -0.04 6.97 6.86 2cv6A1 GLN 141 HE22 -0.09 -0.00 -0.03 -0.04 7.69 7.52 2cv6A1 ASP 142 H 0.05 0.18 0.12 -0.55 8.40 8.21 2cv6A1 ASP 142 HA 0.23 0.09 0.49 -0.75 4.63 4.68 2cv6A1 ASP 142 HB2 0.19 0.00 0.05 -0.04 2.71 2.91 2cv6A1 ASP 142 HB3 -0.08 0.02 -0.13 -0.04 2.70 2.47 2cv6A1 PHE 143 H 0.05 0.62 0.27 -0.55 8.34 8.73 2cv6A1 PHE 143 HA 0.07 0.14 0.88 -0.75 4.62 4.96 2cv6A1 PHE 143 HB2 -0.84 0.07 0.24 -0.04 3.15 2.57 2cv6A1 PHE 143 HB3 -0.33 -0.03 0.01 -0.04 3.06 2.67 2cv6A1 PHE 143 HD2 -0.25 0.09 -0.06 -0.04 7.28 7.02 2cv6A1 PHE 143 HE2 -0.07 -0.04 -0.03 -0.04 7.38 7.19 2cv6A1 PHE 143 HZ -0.05 -0.03 -0.04 -0.04 7.32 7.17 2cv6A1 PHE 144 H 0.43 0.22 0.06 -0.55 8.34 8.49 2cv6A1 PHE 144 HA 0.30 0.18 0.96 -0.75 4.62 5.30 2cv6A1 PHE 144 HB2 0.04 0.02 0.02 -0.04 3.15 3.19 2cv6A1 PHE 144 HB3 0.03 -0.01 -0.12 -0.04 3.06 2.92 2cv6A1 PHE 144 HD2 -0.05 0.05 -0.17 -0.04 7.28 7.07 2cv6A1 PHE 144 HE2 -0.25 0.05 -0.13 -0.04 7.38 7.01 2cv6A1 PHE 144 HZ -0.46 -0.02 -0.14 -0.04 7.32 6.67 2cv6A1 LEU 145 H 0.30 0.58 0.31 -0.55 8.37 9.01 2cv6A1 LEU 145 HA -0.35 -0.06 0.55 -0.75 4.35 3.74 2cv6A1 LEU 145 HB2 0.19 -0.01 0.03 -0.04 1.64 1.81 2cv6A1 LEU 145 HB3 0.11 0.06 0.09 -0.04 1.64 1.87 2cv6A1 LEU 145 HG -0.00 0.02 -0.11 -0.04 1.64 1.50 2cv6A1 LEU 145 HD13 -0.18 -0.02 0.03 -0.04 0.93 0.72 2cv6A1 LEU 145 HD23 0.08 0.00 -0.05 -0.04 0.89 0.89 2cv6A1 SER 146 H 0.18 0.09 -0.05 -0.55 8.46 8.14 2cv6A1 SER 146 HA 0.04 0.13 0.34 -0.75 4.49 4.24 2cv6A1 SER 146 HB2 0.01 0.01 0.01 -0.04 3.95 3.94 2cv6A1 SER 146 HB3 0.07 0.01 0.06 -0.04 3.93 4.03 2cv6A1 SER 147 H 0.02 0.24 0.10 -0.55 8.46 8.28 2cv6A1 SER 147 HA 0.01 0.07 0.82 -0.75 4.49 4.64 2cv6A1 SER 147 HB2 0.12 0.16 0.10 -0.04 3.95 4.28 2cv6A1 SER 147 HB3 0.07 0.06 0.14 -0.04 3.93 4.15 2cv6A1 THR 148 H -0.03 0.60 0.18 -0.55 8.28 8.48 2cv6A1 THR 148 HA -0.01 0.23 0.89 -0.75 4.39 4.75 2cv6A1 THR 148 HB -0.02 -0.05 -0.40 -0.04 4.32 3.80 2cv6A1 THR 148 HG23 -0.06 0.02 -0.46 -0.04 1.22 0.68 2cv6A1 GLU 149 H 0.01 0.43 0.33 -0.55 8.60 8.82 2cv6A1 GLU 149 HA 0.00 0.06 0.37 -0.75 4.29 3.97 2cv6A1 GLU 149 HB2 0.03 0.01 0.24 -0.04 2.09 2.32 2cv6A1 GLU 149 HB3 0.01 -0.00 0.16 -0.04 1.99 2.11 2cv6A1 GLU 149 HG2 0.01 -0.00 0.06 -0.04 2.34 2.37 2cv6A1 GLU 149 HG3 0.01 0.08 0.12 -0.04 2.34 2.51 2cv6A1 ALA 150 H -0.00 -0.13 -0.63 -0.55 8.40 7.10 2cv6A1 ALA 150 HA 0.04 0.14 0.73 -0.75 4.34 4.50 2cv6A1 ALA 150 HB3 0.13 -0.01 0.09 -0.04 1.41 1.58 2cv6A1 GLN 151 H -0.11 -0.03 -0.02 -0.55 8.47 7.76 2cv6A1 GLN 151 HA -0.05 0.23 0.88 -0.75 4.36 4.66 2cv6A1 GLN 151 HB2 -0.08 0.08 0.03 -0.04 2.15 2.14 2cv6A1 GLN 151 HB3 -0.16 0.04 -0.03 -0.04 2.02 1.82 2cv6A1 GLN 151 HG2 -0.74 0.01 -0.12 -0.04 2.40 1.51 2cv6A1 GLN 151 HG3 -0.37 -0.16 -0.07 -0.04 2.39 1.74 2cv6A1 GLN 151 HE21 0.03 0.45 -0.60 -0.04 6.97 6.81 2cv6A1 GLN 151 HE22 0.02 0.08 -0.39 -0.04 7.69 7.37 2cv6A1 GLN 152 H -0.02 0.17 0.14 -0.55 8.47 8.21 2cv6A1 GLN 152 HA -0.04 0.12 0.96 -0.75 4.36 4.64 2cv6A1 GLN 152 HB2 -0.05 0.01 -0.04 -0.04 2.15 2.04 2cv6A1 GLN 152 HB3 -0.03 -0.01 0.05 -0.04 2.02 1.99 2cv6A1 GLN 152 HG2 -0.14 0.08 -0.01 -0.04 2.40 2.30 2cv6A1 GLN 152 HG3 -0.12 -0.03 0.03 -0.04 2.39 2.23 2cv6A1 GLN 152 HE21 -0.05 -0.02 -0.07 -0.04 6.97 6.80 2cv6A1 GLN 152 HE22 -0.04 -0.03 -0.05 -0.04 7.69 7.53 2cv6A1 SER 153 H -0.05 0.03 0.20 -0.55 8.46 8.10 2cv6A1 SER 153 HA 0.05 0.39 0.39 -0.75 4.49 4.57 2cv6A1 SER 153 HB2 0.06 0.18 -0.11 -0.04 3.95 4.04 2cv6A1 SER 153 HB3 -0.02 -0.15 0.08 -0.04 3.93 3.80 2cv6A1 TYR 154 H 0.01 0.41 0.26 -0.55 8.29 8.41 2cv6A1 TYR 154 HA 0.10 0.15 0.48 -0.75 4.56 4.54 2cv6A1 TYR 154 HB2 0.27 -0.03 0.09 -0.04 3.06 3.36 2cv6A1 TYR 154 HB3 0.28 0.04 0.10 -0.04 2.98 3.36 2cv6A1 TYR 154 HD2 0.31 -0.00 -0.37 -0.04 7.15 7.04 2cv6A1 TYR 154 HE2 0.26 0.01 -0.20 -0.04 6.85 6.87 2cv6A1 LEU 155 H -0.01 0.18 -0.21 -0.55 8.37 7.79 2cv6A1 LEU 155 HA 0.52 0.09 0.45 -0.75 4.35 4.65 2cv6A1 LEU 155 HB2 0.31 0.06 -0.01 -0.04 1.64 1.96 2cv6A1 LEU 155 HB3 0.39 -0.01 0.00 -0.04 1.64 1.99 2cv6A1 LEU 155 HG -0.11 -0.04 0.00 -0.04 1.64 1.46 2cv6A1 LEU 155 HD13 0.12 0.03 -0.02 -0.04 0.93 1.02 2cv6A1 LEU 155 HD23 0.34 0.00 -0.03 -0.04 0.89 1.16 2cv6A1 GLN 156 H 0.01 0.28 -0.56 -0.55 8.47 7.65 2cv6A1 GLN 156 HA -0.14 0.05 0.36 -0.75 4.36 3.89 2cv6A1 GLN 156 HB2 -0.84 -0.07 0.04 -0.04 2.15 1.24 2cv6A1 GLN 156 HB3 -0.27 0.18 -0.02 -0.04 2.02 1.87 2cv6A1 GLN 156 HG2 -0.31 0.00 0.08 -0.04 2.40 2.13 2cv6A1 GLN 156 HG3 -0.76 -0.03 0.08 -0.04 2.39 1.63 2cv6A1 GLN 156 HE21 -0.23 -0.03 0.03 -0.04 6.97 6.70 2cv6A1 GLN 156 HE22 -0.26 -0.01 0.02 -0.04 7.69 7.40 2cv6A1 GLY 157 H 0.11 0.28 -0.94 -0.55 8.43 7.34 2cv6A1 GLY 157 HA2 -0.04 0.10 0.64 -0.51 4.01 4.20 2cv6A1 GLY 157 HA3 -0.08 0.03 0.25 -0.51 4.01 3.70 2cv6A1 PHE 158 H 0.27 0.39 -0.15 -0.55 8.34 8.31 2cv6A1 PHE 158 HA 0.08 0.11 0.78 -0.75 4.62 4.84 2cv6A1 PHE 158 HB2 0.16 0.14 0.11 -0.04 3.15 3.52 2cv6A1 PHE 158 HB3 0.10 -0.14 0.07 -0.04 3.06 3.06 2cv6A1 PHE 158 HD2 0.13 -0.00 0.06 -0.04 7.28 7.43 2cv6A1 PHE 158 HE2 0.13 0.00 -0.04 -0.04 7.38 7.43 2cv6A1 PHE 158 HZ 0.07 0.01 -0.04 -0.04 7.32 7.32 2cv6A1 SER 159 H 0.23 0.08 0.16 -0.55 8.46 8.39 2cv6A1 SER 159 HA 0.11 0.21 0.47 -0.75 4.49 4.53 2cv6A1 SER 159 HB2 0.08 0.01 0.15 -0.04 3.95 4.15 2cv6A1 SER 159 HB3 0.10 0.13 0.15 -0.04 3.93 4.27 2cv6A1 LYS 160 H 0.09 0.20 0.17 -0.55 8.42 8.33 2cv6A1 LYS 160 HA 0.11 0.14 0.37 -0.75 4.32 4.19 2cv6A1 LYS 160 HB2 0.07 0.09 0.16 -0.04 1.87 2.15 2cv6A1 LYS 160 HB3 0.06 -0.03 0.14 -0.04 1.79 1.92 2cv6A1 LYS 160 HG2 0.06 -0.02 0.07 -0.04 1.46 1.54 2cv6A1 LYS 160 HG3 0.05 0.03 0.04 -0.04 1.46 1.54 2cv6A1 LYS 160 HD2 0.05 0.03 -0.37 -0.04 1.69 1.36 2cv6A1 LYS 160 HD3 0.04 -0.07 -0.04 -0.04 1.68 1.57 2cv6A1 LYS 160 HE2 0.03 0.00 0.01 -0.04 2.99 2.99 2cv6A1 LYS 160 HE3 0.04 0.01 0.00 -0.04 2.99 3.00 2cv6A1 ASN 161 H 0.07 0.09 -0.10 -0.55 8.53 8.04 2cv6A1 ASN 161 HA 0.05 0.08 0.37 -0.75 4.76 4.50 2cv6A1 ASN 161 HB2 0.05 0.01 0.01 -0.04 2.88 2.91 2cv6A1 ASN 161 HB3 0.04 0.07 0.05 -0.04 2.79 2.91 2cv6A1 ASN 161 HD21 0.04 0.05 0.04 -0.04 7.03 7.12 2cv6A1 ASN 161 HD22 0.05 0.02 0.03 -0.04 7.74 7.80 2cv6A1 ILE 162 H 0.10 0.07 -0.41 -0.55 8.25 7.46 2cv6A1 ILE 162 HA 0.02 0.10 0.51 -0.75 4.18 4.06 2cv6A1 ILE 162 HB 0.17 0.06 0.13 -0.04 1.89 2.20 2cv6A1 ILE 162 HG12 0.11 -0.12 0.03 -0.04 1.49 1.47 2cv6A1 ILE 162 HG13 0.18 0.04 0.05 -0.04 1.21 1.45 2cv6A1 ILE 162 HG23 -0.13 0.03 -0.12 -0.04 0.93 0.67 2cv6A1 ILE 162 HD13 0.04 0.02 -0.05 -0.04 0.88 0.85 2cv6A1 LEU 163 H 0.15 0.61 0.01 -0.55 8.37 8.59 2cv6A1 LEU 163 HA 0.19 0.04 0.30 -0.75 4.35 4.12 2cv6A1 LEU 163 HB2 0.17 -0.01 0.01 -0.04 1.64 1.77 2cv6A1 LEU 163 HB3 0.20 -0.01 -0.05 -0.04 1.64 1.73 2cv6A1 LEU 163 HG 0.30 -0.06 -0.09 -0.04 1.64 1.74 2cv6A1 LEU 163 HD13 0.34 0.01 -0.11 -0.04 0.93 1.12 2cv6A1 LEU 163 HD23 0.36 0.05 0.00 -0.04 0.89 1.26 2cv6A1 GLU 164 H 0.09 0.46 -0.55 -0.55 8.60 8.05 2cv6A1 GLU 164 HA 0.08 0.17 0.40 -0.75 4.29 4.18 2cv6A1 GLU 164 HB2 0.06 0.39 0.14 -0.04 2.09 2.64 2cv6A1 GLU 164 HB3 0.04 -0.00 0.01 -0.04 1.99 2.00 2cv6A1 GLU 164 HG2 0.03 -0.05 -0.06 -0.04 2.34 2.22 2cv6A1 GLU 164 HG3 0.04 0.09 0.08 -0.04 2.34 2.51 2cv6A1 ALA 165 H 0.03 0.45 0.01 -0.55 8.40 8.34 2cv6A1 ALA 165 HA 0.00 -0.01 0.47 -0.75 4.34 4.06 2cv6A1 ALA 165 HB3 -0.01 -0.01 0.15 -0.04 1.41 1.51 2cv6A1 SER 166 H -0.03 0.93 -0.03 -0.55 8.46 8.78 2cv6A1 SER 166 HA -0.17 0.00 0.35 -0.75 4.49 3.91 2cv6A1 SER 166 HB2 -0.23 0.02 -0.03 -0.04 3.95 3.68 2cv6A1 SER 166 HB3 -0.40 -0.04 -0.01 -0.04 3.93 3.44 2cv6A1 PHE 167 H 0.11 0.40 -0.35 -0.55 8.34 7.94 2cv6A1 PHE 167 HA -0.03 0.18 0.88 -0.75 4.62 4.89 2cv6A1 PHE 167 HB2 -0.04 0.25 0.05 -0.04 3.15 3.37 2cv6A1 PHE 167 HB3 -0.05 -0.05 -0.04 -0.04 3.06 2.88 2cv6A1 PHE 167 HD2 -0.04 0.05 0.01 -0.04 7.28 7.27 2cv6A1 PHE 167 HE2 -0.02 -0.03 -0.05 -0.04 7.38 7.24 2cv6A1 PHE 167 HZ -0.02 -0.02 -0.05 -0.04 7.32 7.18 2cv6A1 ASP 168 H 0.06 0.40 -0.15 -0.55 8.40 8.16 2cv6A1 ASP 168 HA 0.03 -0.05 0.39 -0.75 4.63 4.24 2cv6A1 ASP 168 HB2 0.01 0.04 -0.15 -0.04 2.71 2.57 2cv6A1 ASP 168 HB3 0.03 0.16 0.22 -0.04 2.70 3.07 2cv6A1 SER 169 H 0.04 0.23 0.08 -0.55 8.46 8.26 2cv6A1 SER 169 HA 0.01 -0.05 0.35 -0.75 4.49 4.05 2cv6A1 SER 169 HB2 0.01 0.34 0.26 -0.04 3.95 4.52 2cv6A1 SER 169 HB3 0.02 -0.01 -0.44 -0.04 3.93 3.46 2cv6A1 ASP 170 H 0.00 0.12 0.13 -0.55 8.40 8.10 2cv6A1 ASP 170 HA 0.01 0.09 0.45 -0.75 4.63 4.43 2cv6A1 ASP 170 HB2 0.01 -0.03 0.12 -0.04 2.71 2.77 2cv6A1 ASP 170 HB3 0.00 0.11 0.14 -0.04 2.70 2.91 2cv6A1 ILE 171 H 0.02 0.15 0.17 -0.55 8.25 8.04 2cv6A1 ILE 171 HA 0.01 0.16 0.30 -0.75 4.18 3.90 2cv6A1 ILE 171 HB 0.05 0.02 0.14 -0.04 1.89 2.05 2cv6A1 ILE 171 HG12 0.06 -0.01 -0.09 -0.04 1.49 1.41 2cv6A1 ILE 171 HG13 0.08 0.05 0.05 -0.04 1.21 1.35 2cv6A1 ILE 171 HG23 0.03 0.01 -0.02 -0.04 0.93 0.91 2cv6A1 ILE 171 HD13 0.09 -0.00 0.01 -0.04 0.88 0.93 2cv6A1 LYS 172 H 0.00 0.01 -0.33 -0.55 8.42 7.55 2cv6A1 LYS 172 HA 0.00 0.11 0.33 -0.75 4.32 4.00 2cv6A1 LYS 172 HB2 -0.00 -0.07 0.04 -0.04 1.87 1.79 2cv6A1 LYS 172 HB3 -0.00 0.10 -0.05 -0.04 1.79 1.79 2cv6A1 LYS 172 HG2 0.01 0.08 -0.01 -0.04 1.46 1.50 2cv6A1 LYS 172 HG3 0.01 -0.10 0.00 -0.04 1.46 1.33 2cv6A1 LYS 172 HD2 0.00 0.06 -0.01 -0.04 1.69 1.71 2cv6A1 LYS 172 HD3 0.01 0.03 0.00 -0.04 1.68 1.68 2cv6A1 LYS 172 HE2 0.00 -0.01 0.02 -0.04 2.99 2.96 2cv6A1 LYS 172 HE3 0.01 0.06 0.02 -0.04 2.99 3.03 2cv6A1 GLU 173 H -0.03 0.08 -0.18 -0.55 8.60 7.92 2cv6A1 GLU 173 HA -0.05 0.07 0.33 -0.75 4.29 3.89 2cv6A1 GLU 173 HB2 -0.03 -0.07 0.09 -0.04 2.09 2.04 2cv6A1 GLU 173 HB3 -0.04 0.07 0.03 -0.04 1.99 2.01 2cv6A1 GLU 173 HG2 -0.07 0.06 -0.20 -0.04 2.34 2.09 2cv6A1 GLU 173 HG3 -0.05 -0.00 0.05 -0.04 2.34 2.30 2cv6A1 ILE 174 H -0.09 0.27 -0.52 -0.55 8.25 7.35 2cv6A1 ILE 174 HA -0.28 0.06 0.39 -0.75 4.18 3.60 2cv6A1 ILE 174 HB -0.14 0.07 0.11 -0.04 1.89 1.89 2cv6A1 ILE 174 HG12 -0.26 0.03 -0.13 -0.04 1.49 1.09 2cv6A1 ILE 174 HG13 -0.10 -0.02 -0.21 -0.04 1.21 0.84 2cv6A1 ILE 174 HG23 -0.51 -0.01 -0.20 -0.04 0.93 0.17 2cv6A1 ILE 174 HD13 0.02 -0.02 -0.30 -0.04 0.88 0.54 2cv6A1 SER 175 H -0.12 0.67 0.08 -0.55 8.46 8.54 2cv6A1 SER 175 HA -0.23 -0.07 0.26 -0.75 4.49 3.69 2cv6A1 SER 175 HB2 0.02 0.07 0.02 -0.04 3.95 4.02 2cv6A1 SER 175 HB3 0.13 -0.03 0.01 -0.04 3.93 4.00 2cv6A1 ARG 176 H -0.10 0.22 -0.86 -0.55 8.46 7.17 2cv6A1 ARG 176 HA -0.02 0.19 0.45 -0.75 4.34 4.20 2cv6A1 ARG 176 HB2 -0.03 -0.05 0.01 -0.04 1.90 1.78 2cv6A1 ARG 176 HB3 -0.06 0.06 0.11 -0.04 1.80 1.87 2cv6A1 ARG 176 HG2 -0.04 0.02 -0.20 -0.04 1.67 1.41 2cv6A1 ARG 176 HG3 -0.02 0.02 -0.02 -0.04 1.67 1.61 2cv6A1 ARG 176 HD2 -0.02 -0.03 -0.04 -0.04 3.22 3.09 2cv6A1 ARG 176 HD3 -0.02 -0.05 -0.04 -0.04 3.22 3.07 2cv6A1 VAL 177 H -0.14 0.39 0.11 -0.55 8.24 8.05 2cv6A1 VAL 177 HA -0.08 0.02 0.41 -0.75 4.13 3.72 2cv6A1 VAL 177 HB -0.20 -0.04 0.19 -0.04 2.12 2.02 2cv6A1 VAL 177 HG13 -0.11 -0.02 -0.07 -0.04 0.97 0.74 2cv6A1 VAL 177 HG23 -0.09 0.06 0.11 -0.04 0.95 0.99 2cv6A1 LEU 178 H -0.36 0.45 0.03 -0.55 8.37 7.95 2cv6A1 LEU 178 HA -0.14 0.15 0.61 -0.75 4.35 4.21 2cv6A1 LEU 178 HB2 -0.92 -0.04 -0.08 -0.04 1.64 0.56 2cv6A1 LEU 178 HB3 -0.32 -0.05 -0.04 -0.04 1.64 1.19 2cv6A1 LEU 178 HG -0.42 -0.02 -0.03 -0.04 1.64 1.13 2cv6A1 LEU 178 HD13 -0.69 -0.02 -0.06 -0.04 0.93 0.12 2cv6A1 LEU 178 HD23 -0.17 0.02 -0.09 -0.04 0.89 0.61 2cv6A1 PHE 179 H -0.22 0.18 -0.38 -0.55 8.34 7.37 2cv6A1 PHE 179 HA -0.03 0.14 0.91 -0.75 4.62 4.89 2cv6A1 PHE 179 HB2 -0.02 0.21 0.20 -0.04 3.15 3.50 2cv6A1 PHE 179 HB3 -0.01 -0.18 0.20 -0.04 3.06 3.03 2cv6A1 PHE 179 HD2 -0.02 0.13 -0.26 -0.04 7.28 7.09 2cv6A1 PHE 179 HE2 0.00 -0.02 -0.15 -0.04 7.38 7.17 2cv6A1 PHE 179 HZ 0.06 0.04 -0.41 -0.04 7.32 6.97 2cv6A1 GLY 180 H 0.20 -0.01 0.07 -0.55 8.43 8.15 2cv6A1 GLY 180 HA2 0.05 0.03 0.19 -0.51 4.01 3.78 2cv6A1 GLY 180 HA3 0.06 -0.04 0.22 -0.51 4.01 3.73 2cv6A1 SER 192 HA -0.00 -0.06 0.22 -0.75 4.49 3.89 2cv6A1 SER 192 HB2 -0.00 -0.06 0.13 -0.04 3.95 3.98 2cv6A1 SER 192 HB3 -0.00 0.07 -0.22 -0.04 3.93 3.73 2cv6A1 GLN 193 H 0.00 0.11 0.14 -0.55 8.47 8.18 2cv6A1 GLN 193 HA -0.00 0.17 0.66 -0.75 4.36 4.43 2cv6A1 GLN 193 HB2 0.01 -0.04 0.30 -0.04 2.15 2.37 2cv6A1 GLN 193 HB3 0.01 0.18 0.28 -0.04 2.02 2.45 2cv6A1 GLN 193 HG2 0.02 0.16 0.03 -0.04 2.40 2.57 2cv6A1 GLN 193 HG3 0.01 -0.02 0.23 -0.04 2.39 2.57 2cv6A1 GLN 193 HE21 0.01 -0.05 -0.02 -0.04 6.97 6.87 2cv6A1 GLN 193 HE22 0.01 0.09 0.09 -0.04 7.69 7.84 2cv6A1 GLN 194 H -0.00 0.27 0.31 -0.55 8.47 8.50 2cv6A1 GLN 194 HA 0.01 0.20 0.88 -0.75 4.36 4.69 2cv6A1 GLN 194 HB2 -0.02 0.01 0.01 -0.04 2.15 2.11 2cv6A1 GLN 194 HB3 -0.00 -0.10 0.16 -0.04 2.02 2.04 2cv6A1 GLN 194 HG2 -0.02 -0.01 -0.22 -0.04 2.40 2.11 2cv6A1 GLN 194 HG3 -0.03 0.01 -0.04 -0.04 2.39 2.29 2cv6A1 GLN 194 HE21 -0.03 -0.01 -0.01 -0.04 6.97 6.87 2cv6A1 GLN 194 HE22 -0.03 0.00 -0.05 -0.04 7.69 7.57 2cv6A1 GLU 195 H 0.04 0.15 0.22 -0.55 8.60 8.47 2cv6A1 GLU 195 HA 0.03 0.07 1.02 -0.75 4.29 4.66 2cv6A1 GLU 195 HB2 0.04 0.04 0.13 -0.04 2.09 2.27 2cv6A1 GLU 195 HB3 0.04 0.05 0.06 -0.04 1.99 2.10 2cv6A1 GLU 195 HG2 0.09 -0.00 0.11 -0.04 2.34 2.49 2cv6A1 GLU 195 HG3 0.11 0.01 -0.18 -0.04 2.34 2.24 2cv6A1 GLY 196 H 0.07 0.15 0.11 -0.55 8.43 8.21 2cv6A1 GLY 196 HA2 0.18 0.19 0.81 -0.51 4.01 4.68 2cv6A1 GLY 196 HA3 0.46 0.04 0.28 -0.51 4.01 4.29 2cv6A1 VAL 197 H -1.22 0.17 0.08 -0.55 8.24 6.72 2cv6A1 VAL 197 HA -0.30 0.13 0.45 -0.75 4.13 3.66 2cv6A1 VAL 197 HB -0.52 0.06 0.06 -0.04 2.12 1.67 2cv6A1 VAL 197 HG13 -1.12 0.01 -0.07 -0.04 0.97 -0.25 2cv6A1 VAL 197 HG23 -1.23 0.01 -0.14 -0.04 0.95 -0.45 2cv6A1 ILE 198 H 0.00 0.00 -0.32 -0.55 8.25 7.39 2cv6A1 ILE 198 HA 0.07 0.45 0.94 -0.75 4.18 4.89 2cv6A1 ILE 198 HB 0.33 -0.14 -0.05 -0.04 1.89 1.99 2cv6A1 ILE 198 HG12 0.25 0.10 -0.23 -0.04 1.49 1.57 2cv6A1 ILE 198 HG13 0.12 -0.15 -0.30 -0.04 1.21 0.85 2cv6A1 ILE 198 HG23 0.16 0.03 -0.33 -0.04 0.93 0.74 2cv6A1 ILE 198 HD13 0.16 0.04 -0.31 -0.04 0.88 0.72 2cv6A1 VAL 199 H -0.03 0.65 0.28 -0.55 8.24 8.60 2cv6A1 VAL 199 HA -0.17 0.10 0.99 -0.75 4.13 4.30 2cv6A1 VAL 199 HB -0.11 0.08 0.07 -0.04 2.12 2.12 2cv6A1 VAL 199 HG13 -0.03 -0.02 -0.19 -0.04 0.97 0.68 2cv6A1 VAL 199 HG23 -0.08 0.03 -0.08 -0.04 0.95 0.78 2cv6A1 GLU 200 H -0.54 0.08 0.19 -0.55 8.60 7.78 2cv6A1 GLU 200 HA -0.32 0.24 0.83 -0.75 4.29 4.28 2cv6A1 GLU 200 HB2 -1.31 -0.06 0.07 -0.04 2.09 0.75 2cv6A1 GLU 200 HB3 -0.47 -0.08 0.09 -0.04 1.99 1.49 2cv6A1 GLU 200 HG2 -0.14 0.11 0.03 -0.04 2.34 2.31 2cv6A1 GLU 200 HG3 -0.16 0.21 0.10 -0.04 2.34 2.44 2cv6A1 LEU 201 H -0.11 0.74 0.37 -0.55 8.37 8.82 2cv6A1 LEU 201 HA -0.08 0.14 0.87 -0.75 4.35 4.53 2cv6A1 LEU 201 HB2 -0.05 0.06 -0.10 -0.04 1.64 1.51 2cv6A1 LEU 201 HB3 -0.05 -0.12 0.05 -0.04 1.64 1.48 2cv6A1 LEU 201 HG -0.08 0.04 -0.43 -0.04 1.64 1.13 2cv6A1 LEU 201 HD13 -0.06 -0.00 -0.21 -0.04 0.93 0.61 2cv6A1 LEU 201 HD23 -0.08 0.04 -0.08 -0.04 0.89 0.73 2cv6A1 LYS 202 H -0.04 0.11 0.17 -0.55 8.42 8.11 2cv6A1 LYS 202 HA -0.02 0.18 0.64 -0.75 4.32 4.37 2cv6A1 LYS 202 HB2 -0.02 0.04 0.20 -0.04 1.87 2.04 2cv6A1 LYS 202 HB3 -0.01 -0.19 0.07 -0.04 1.79 1.62 2cv6A1 LYS 202 HG2 -0.02 0.07 0.02 -0.04 1.46 1.50 2cv6A1 LYS 202 HG3 -0.01 0.04 0.05 -0.04 1.46 1.50 2cv6A1 LYS 202 HD2 -0.01 -0.06 0.09 -0.04 1.69 1.67 2cv6A1 LYS 202 HD3 -0.01 0.02 0.14 -0.04 1.68 1.79 2cv6A1 LYS 202 HE2 -0.01 0.01 0.03 -0.04 2.99 2.98 2cv6A1 LYS 202 HE3 -0.00 0.01 0.04 -0.04 2.99 2.99 2cv6A1 ARG 203 H -0.01 0.22 0.19 -0.55 8.46 8.31 2cv6A1 ARG 203 HA -0.01 0.15 0.34 -0.75 4.34 4.07 2cv6A1 ARG 203 HB2 -0.00 -0.04 0.10 -0.04 1.90 1.91 2cv6A1 ARG 203 HB3 -0.00 0.04 0.04 -0.04 1.80 1.84 2cv6A1 ARG 203 HG2 -0.00 0.10 0.08 -0.04 1.67 1.80 2cv6A1 ARG 203 HG3 -0.00 -0.01 0.13 -0.04 1.67 1.75 2cv6A1 ARG 203 HD2 0.00 0.05 0.05 -0.04 3.22 3.28 2cv6A1 ARG 203 HD3 0.00 -0.02 0.04 -0.04 3.22 3.20 2cv6A1 GLU 204 H -0.01 0.01 -0.39 -0.55 8.60 7.67 2cv6A1 GLU 204 HA -0.01 0.11 0.37 -0.75 4.29 4.01 2cv6A1 GLU 204 HB2 -0.01 -0.02 0.01 -0.04 2.09 2.03 2cv6A1 GLU 204 HB3 -0.01 0.07 0.01 -0.04 1.99 2.02 2cv6A1 GLU 204 HG2 -0.01 0.06 0.00 -0.04 2.34 2.35 2cv6A1 GLU 204 HG3 -0.01 -0.15 0.04 -0.04 2.34 2.19 2cv6A1 GLN 205 H -0.01 0.05 -0.17 -0.55 8.47 7.79 2cv6A1 GLN 205 HA -0.01 0.06 0.35 -0.75 4.36 4.01 2cv6A1 GLN 205 HB2 -0.03 0.10 0.16 -0.04 2.15 2.35 2cv6A1 GLN 205 HB3 -0.03 0.06 -0.03 -0.04 2.02 1.98 2cv6A1 GLN 205 HG2 -0.02 0.06 0.03 -0.04 2.40 2.43 2cv6A1 GLN 205 HG3 -0.02 -0.09 0.07 -0.04 2.39 2.30 2cv6A1 GLN 205 HE21 -0.04 0.07 0.04 -0.04 6.97 7.00 2cv6A1 GLN 205 HE22 -0.03 0.04 0.02 -0.04 7.69 7.67 2cv6A1 ILE 206 H -0.01 0.44 -0.19 -0.55 8.25 7.93 2cv6A1 ILE 206 HA 0.00 0.05 0.24 -0.75 4.18 3.71 2cv6A1 ILE 206 HB -0.00 0.01 0.05 -0.04 1.89 1.90 2cv6A1 ILE 206 HG12 -0.01 -0.01 -0.15 -0.04 1.49 1.29 2cv6A1 ILE 206 HG13 -0.02 -0.01 -0.18 -0.04 1.21 0.97 2cv6A1 ILE 206 HG23 0.01 0.04 -0.20 -0.04 0.93 0.73 2cv6A1 ILE 206 HD13 -0.00 0.03 -0.05 -0.04 0.88 0.81 2cv6A1 ARG 207 H -0.01 0.57 -0.22 -0.55 8.46 8.25 2cv6A1 ARG 207 HA -0.02 -0.02 0.19 -0.75 4.34 3.73 2cv6A1 ARG 207 HB2 -0.01 0.12 0.09 -0.04 1.90 2.06 2cv6A1 ARG 207 HB3 -0.02 -0.06 -0.03 -0.04 1.80 1.65 2cv6A1 ARG 207 HG2 -0.01 -0.05 0.00 -0.04 1.67 1.56 2cv6A1 ARG 207 HG3 -0.01 0.29 0.08 -0.04 1.67 1.99 2cv6A1 ARG 207 HD2 -0.01 -0.02 -0.03 -0.04 3.22 3.12 2cv6A1 ARG 207 HD3 -0.01 -0.06 -0.04 -0.04 3.22 3.07 2cv6A1 GLU 208 H -0.00 0.28 -0.75 -0.55 8.60 7.58 2cv6A1 GLU 208 HA -0.01 -0.04 0.38 -0.75 4.29 3.87 2cv6A1 GLU 208 HB2 0.02 0.43 0.27 -0.04 2.09 2.77 2cv6A1 GLU 208 HB3 0.06 -0.09 0.00 -0.04 1.99 1.91 2cv6A1 GLU 208 HG2 0.01 -0.05 0.01 -0.04 2.34 2.26 2cv6A1 GLU 208 HG3 0.00 0.13 -0.01 -0.04 2.34 2.43 2cv6A1 LEU 209 H 0.04 0.41 -0.01 -0.55 8.37 8.26 2cv6A1 LEU 209 HA 0.26 0.00 0.61 -0.75 4.35 4.47 2cv6A1 LEU 209 HB2 0.18 -0.02 0.15 -0.04 1.64 1.92 2cv6A1 LEU 209 HB3 0.19 -0.03 0.03 -0.04 1.64 1.79 2cv6A1 LEU 209 HG 0.04 0.02 0.05 -0.04 1.64 1.71 2cv6A1 LEU 209 HD13 0.02 0.06 -0.03 -0.04 0.93 0.94 2cv6A1 LEU 209 HD23 -0.07 -0.02 -0.07 -0.04 0.89 0.69 2cv6A1 THR 210 H -0.17 -0.00 0.08 -0.55 8.28 7.64 2cv6A1 THR 210 HA 0.02 -0.04 0.38 -0.75 4.39 4.00 2cv6A1 THR 210 HB -0.02 -0.08 0.02 -0.04 4.32 4.20 2cv6A1 THR 210 HG23 0.02 0.06 -0.03 -0.04 1.22 1.22 2cv6A1 LYS 211 H -0.40 0.14 0.26 -0.55 8.42 7.86 2cv6A1 LYS 211 HA -0.13 0.16 0.69 -0.75 4.32 4.28 2cv6A1 LYS 211 HB2 -0.15 -0.04 0.19 -0.04 1.87 1.83 2cv6A1 LYS 211 HB3 -0.15 0.08 0.14 -0.04 1.79 1.82 2cv6A1 LYS 211 HG2 -0.58 0.45 0.32 -0.04 1.46 1.60 2cv6A1 LYS 211 HG3 -0.69 -0.07 -0.10 -0.04 1.46 0.56 2cv6A1 LYS 211 HD2 -0.07 -0.07 0.04 -0.04 1.69 1.55 2cv6A1 LYS 211 HD3 -0.09 0.02 0.08 -0.04 1.68 1.65 2cv6A1 LYS 211 HE2 0.03 0.07 0.06 -0.04 2.99 3.10 2cv6A1 LYS 211 HE3 0.13 -0.05 -0.00 -0.04 2.99 3.03 2cv6A1 HIS 212 H -0.22 -0.16 -0.34 -0.55 8.41 7.14 2cv6A1 HIS 212 HA 0.02 0.21 0.78 -0.75 4.63 4.89 2cv6A1 HIS 212 HB2 0.03 -0.06 -0.07 -0.04 3.26 3.13 2cv6A1 HIS 212 HB3 0.02 0.04 -0.02 -0.04 3.20 3.20 2cv6A1 HIS 212 HD2 0.02 0.07 -0.12 -0.04 6.97 6.90 2cv6A1 HIS 212 HE1 0.04 0.02 -0.13 -0.04 7.75 7.64 2cv6A1 ALA 213 H 0.09 -0.09 -0.25 -0.55 8.40 7.61 2cv6A1 ALA 213 HA 0.05 -0.00 -0.24 -0.75 4.34 3.40 2cv6A1 ALA 213 HB3 0.01 0.01 -0.10 -0.04 1.41 1.29 2cv6A1 ASP 225 HA 0.01 -0.03 0.16 -0.75 4.63 4.02 2cv6A1 ASP 225 HB2 -0.01 -0.13 0.07 -0.04 2.71 2.61 2cv6A1 ASP 225 HB3 0.02 0.04 0.18 -0.04 2.70 2.90 2cv6A1 GLN 226 H 0.05 0.10 0.16 -0.55 8.47 8.23 2cv6A1 GLN 226 HA 0.05 0.23 0.89 -0.75 4.36 4.78 2cv6A1 GLN 226 HB2 0.04 0.04 -0.54 -0.04 2.15 1.65 2cv6A1 GLN 226 HB3 0.03 -0.04 0.38 -0.04 2.02 2.35 2cv6A1 GLN 226 HG2 0.05 -0.12 0.06 -0.04 2.40 2.36 2cv6A1 GLN 226 HG3 0.08 0.22 -0.30 -0.04 2.39 2.35 2cv6A1 GLN 226 HE21 0.03 -0.02 0.03 -0.04 6.97 6.97 2cv6A1 GLN 226 HE22 0.03 -0.04 0.03 -0.04 7.69 7.67 2cv6A1 PRO 227 HA 0.11 0.13 0.58 -0.51 4.44 4.75 2cv6A1 PRO 227 HB2 0.12 -0.01 -0.03 -0.04 2.28 2.32 2cv6A1 PRO 227 HB3 0.02 0.02 0.03 -0.04 2.02 2.06 2cv6A1 PRO 227 HG2 0.07 0.01 0.02 -0.04 2.03 2.09 2cv6A1 PRO 227 HG3 0.03 0.01 -0.04 -0.04 2.03 2.00 2cv6A1 PRO 227 HD2 0.04 0.08 -0.50 -0.04 3.68 3.26 2cv6A1 PRO 227 HD3 0.03 0.15 0.04 -0.04 3.65 3.83 2cv6A1 PHE 228 H -0.20 0.33 0.36 -0.55 8.34 8.28 2cv6A1 PHE 228 HA -0.05 0.19 0.91 -0.75 4.62 4.92 2cv6A1 PHE 228 HB2 -0.03 -0.01 0.09 -0.04 3.15 3.15 2cv6A1 PHE 228 HB3 -0.01 0.09 0.04 -0.04 3.06 3.13 2cv6A1 PHE 228 HD2 -0.00 0.09 -0.09 -0.04 7.28 7.24 2cv6A1 PHE 228 HE2 0.03 -0.05 -0.16 -0.04 7.38 7.15 2cv6A1 PHE 228 HZ 0.04 -0.01 -0.18 -0.04 7.32 7.13 2cv6A1 ASN 229 H -0.01 0.24 0.13 -0.55 8.53 8.34 2cv6A1 ASN 229 HA -0.34 0.21 1.16 -0.75 4.76 5.04 2cv6A1 ASN 229 HB2 -1.15 0.02 -0.20 -0.04 2.88 1.51 2cv6A1 ASN 229 HB3 -0.32 0.02 0.02 -0.04 2.79 2.47 2cv6A1 ASN 229 HD21 -0.03 0.14 -0.25 -0.04 7.03 6.84 2cv6A1 ASN 229 HD22 -0.56 -0.03 -0.40 -0.04 7.74 6.71 2cv6A1 LEU 230 H -0.10 0.40 0.16 -0.55 8.37 8.28 2cv6A1 LEU 230 HA 0.06 0.07 0.30 -0.75 4.35 4.03 2cv6A1 LEU 230 HB2 0.08 -0.02 -0.00 -0.04 1.64 1.67 2cv6A1 LEU 230 HB3 0.03 0.09 0.10 -0.04 1.64 1.82 2cv6A1 LEU 230 HG 0.00 0.02 -0.40 -0.04 1.64 1.22 2cv6A1 LEU 230 HD13 0.11 0.01 -0.37 -0.04 0.93 0.64 2cv6A1 LEU 230 HD23 0.04 -0.03 -0.26 -0.04 0.89 0.60 2cv6A1 ARG 231 H -0.19 0.17 -0.12 -0.55 8.46 7.77 2cv6A1 ARG 231 HA -0.96 0.13 0.51 -0.75 4.34 3.27 2cv6A1 ARG 231 HB2 -0.29 0.05 0.06 -0.04 1.90 1.68 2cv6A1 ARG 231 HB3 -0.71 0.00 0.18 -0.04 1.80 1.24 2cv6A1 ARG 231 HG2 -0.55 0.01 -0.01 -0.04 1.67 1.08 2cv6A1 ARG 231 HG3 -0.22 -0.05 0.05 -0.04 1.67 1.42 2cv6A1 ARG 231 HD2 -0.15 -0.02 -0.03 -0.04 3.22 2.98 2cv6A1 ARG 231 HD3 -0.10 0.10 -0.00 -0.04 3.22 3.17 2cv6A1 ASN 232 H -0.12 0.38 -0.89 -0.55 8.53 7.36 2cv6A1 ASN 232 HA -0.08 0.17 0.88 -0.75 4.76 4.97 2cv6A1 ASN 232 HB2 -0.11 -0.10 -0.14 -0.04 2.88 2.49 2cv6A1 ASN 232 HB3 -0.05 0.07 0.19 -0.04 2.79 2.96 2cv6A1 ASN 232 HD21 -0.01 -0.02 0.02 -0.04 7.03 6.98 2cv6A1 ASN 232 HD22 -0.03 -0.01 0.05 -0.04 7.74 7.70 2cv6A1 GLN 233 H 0.05 0.28 -0.17 -0.55 8.47 8.08 2cv6A1 GLN 233 HA 0.05 -0.01 0.36 -0.75 4.36 4.01 2cv6A1 GLN 233 HB2 0.05 -0.01 0.06 -0.04 2.15 2.22 2cv6A1 GLN 233 HB3 0.03 0.16 0.25 -0.04 2.02 2.41 2cv6A1 GLN 233 HG2 0.04 -0.16 -0.58 -0.04 2.40 1.67 2cv6A1 GLN 233 HG3 0.13 0.04 -0.16 -0.04 2.39 2.35 2cv6A1 GLN 233 HE21 0.05 -0.09 0.05 -0.04 6.97 6.94 2cv6A1 GLN 233 HE22 0.08 0.08 -0.01 -0.04 7.69 7.80 2cv6A1 LYS 234 H 0.05 0.08 0.12 -0.55 8.42 8.11 2cv6A1 LYS 234 HA 0.06 0.02 0.37 -0.75 4.32 4.02 2cv6A1 LYS 234 HB2 -0.00 -0.01 0.16 -0.04 1.87 1.97 2cv6A1 LYS 234 HB3 -0.01 0.09 0.08 -0.04 1.79 1.91 2cv6A1 LYS 234 HG2 0.02 -0.06 0.15 -0.04 1.46 1.52 2cv6A1 LYS 234 HG3 -0.00 -0.00 0.07 -0.04 1.46 1.49 2cv6A1 LYS 234 HD2 0.00 0.03 0.04 -0.04 1.69 1.73 2cv6A1 LYS 234 HD3 0.03 -0.01 0.03 -0.04 1.68 1.68 2cv6A1 LYS 234 HE2 0.01 -0.01 0.03 -0.04 2.99 2.98 2cv6A1 LYS 234 HE3 0.00 -0.00 0.03 -0.04 2.99 2.98 2cv6A1 PRO 235 HA -0.13 0.02 0.57 -0.51 4.44 4.39 2cv6A1 PRO 235 HB2 -0.39 0.05 0.05 -0.04 2.28 1.96 2cv6A1 PRO 235 HB3 -1.39 -0.04 0.00 -0.04 2.02 0.55 2cv6A1 PRO 235 HG2 -0.14 0.00 -0.07 -0.04 2.03 1.78 2cv6A1 PRO 235 HG3 -0.24 -0.02 0.04 -0.04 2.03 1.76 2cv6A1 PRO 235 HD2 0.01 -0.01 0.19 -0.04 3.68 3.82 2cv6A1 PRO 235 HD3 0.15 0.16 0.16 -0.04 3.65 4.07 2cv6A1 ILE 236 H -0.18 0.64 0.48 -0.55 8.25 8.65 2cv6A1 ILE 236 HA -0.32 0.11 0.63 -0.75 4.18 3.84 2cv6A1 ILE 236 HB -0.57 0.04 0.18 -0.04 1.89 1.50 2cv6A1 ILE 236 HG12 -0.33 -0.05 0.01 -0.04 1.49 1.07 2cv6A1 ILE 236 HG13 -0.40 -0.02 0.05 -0.04 1.21 0.80 2cv6A1 ILE 236 HG23 -1.94 -0.02 -0.17 -0.04 0.93 -1.24 2cv6A1 ILE 236 HD13 -0.12 0.01 0.01 -0.04 0.88 0.74 2cv6A1 TYR 237 H -0.21 0.18 0.25 -0.55 8.29 7.96 2cv6A1 TYR 237 HA -0.15 0.22 0.88 -0.75 4.56 4.75 2cv6A1 TYR 237 HB2 0.03 -0.06 -0.00 -0.04 3.06 2.99 2cv6A1 TYR 237 HB3 -0.20 0.01 0.00 -0.04 2.98 2.76 2cv6A1 TYR 237 HD2 -0.82 0.03 -0.07 -0.04 7.15 6.25 2cv6A1 TYR 237 HE2 -1.03 -0.00 -0.10 -0.04 6.85 5.68 2cv6A1 SER 238 H 0.12 0.25 0.19 -0.55 8.46 8.47 2cv6A1 SER 238 HA 0.09 0.25 0.83 -0.75 4.49 4.90 2cv6A1 SER 238 HB2 -0.05 0.03 -0.49 -0.04 3.95 3.40 2cv6A1 SER 238 HB3 -0.01 -0.01 -0.06 -0.04 3.93 3.80 2cv6A1 ASN 239 H -0.02 0.49 0.28 -0.55 8.53 8.73 2cv6A1 ASN 239 HA 0.01 0.08 0.38 -0.75 4.76 4.48 2cv6A1 ASN 239 HB2 0.03 -0.15 0.31 -0.04 2.88 3.02 2cv6A1 ASN 239 HB3 0.05 0.25 0.27 -0.04 2.79 3.32 2cv6A1 ASN 239 HD21 0.29 -0.01 0.21 -0.04 7.03 7.47 2cv6A1 ASN 239 HD22 0.09 0.00 0.07 -0.04 7.74 7.86 2cv6A1 LYS 240 H 0.00 0.17 0.19 -0.55 8.42 8.23 2cv6A1 LYS 240 HA -0.02 0.07 0.39 -0.75 4.32 4.01 2cv6A1 LYS 240 HB2 0.00 -0.01 0.12 -0.04 1.87 1.94 2cv6A1 LYS 240 HB3 -0.00 0.03 0.07 -0.04 1.79 1.84 2cv6A1 LYS 240 HG2 -0.00 0.02 0.09 -0.04 1.46 1.53 2cv6A1 LYS 240 HG3 -0.00 -0.03 0.16 -0.04 1.46 1.55 2cv6A1 LYS 240 HD2 -0.00 0.01 0.03 -0.04 1.69 1.69 2cv6A1 LYS 240 HD3 -0.00 0.01 0.05 -0.04 1.68 1.69 2cv6A1 LYS 240 HE2 0.00 0.01 0.03 -0.04 2.99 2.98 2cv6A1 LYS 240 HE3 0.00 -0.01 0.06 -0.04 2.99 3.01 2cv6A1 LEU 241 H 0.01 0.06 -0.22 -0.55 8.37 7.67 2cv6A1 LEU 241 HA -0.04 0.15 0.65 -0.75 4.35 4.36 2cv6A1 LEU 241 HB2 0.08 0.10 -0.07 -0.04 1.64 1.70 2cv6A1 LEU 241 HB3 0.03 0.00 0.05 -0.04 1.64 1.68 2cv6A1 LEU 241 HG 0.02 -0.12 -0.07 -0.04 1.64 1.42 2cv6A1 LEU 241 HD13 0.04 0.06 -0.29 -0.04 0.93 0.70 2cv6A1 LEU 241 HD23 0.01 0.02 -0.15 -0.04 0.89 0.73 2cv6A1 GLY 242 H -0.19 0.29 -0.14 -0.55 8.43 7.83 2cv6A1 GLY 242 HA2 -0.34 0.10 0.48 -0.51 4.01 3.74 2cv6A1 GLY 242 HA3 -0.89 0.08 0.57 -0.51 4.01 3.27 2cv6A1 ARG 243 H -0.36 0.42 0.37 -0.55 8.46 8.34 2cv6A1 ARG 243 HA -0.07 0.22 1.01 -0.75 4.34 4.76 2cv6A1 ARG 243 HB2 -0.43 0.04 0.12 -0.04 1.90 1.60 2cv6A1 ARG 243 HB3 -0.16 -0.03 0.13 -0.04 1.80 1.70 2cv6A1 ARG 243 HG2 -0.12 -0.03 0.09 -0.04 1.67 1.57 2cv6A1 ARG 243 HG3 -0.08 -0.04 0.09 -0.04 1.67 1.60 2cv6A1 ARG 243 HD2 0.02 0.04 0.01 -0.04 3.22 3.24 2cv6A1 ARG 243 HD3 -0.04 -0.00 0.00 -0.04 3.22 3.14 2cv6A1 TRP 244 H 0.09 0.74 0.35 -0.55 7.97 8.61 2cv6A1 TRP 244 HA -0.08 0.17 1.02 -0.75 4.62 4.98 2cv6A1 TRP 244 HB2 0.50 0.03 -0.15 -0.04 3.23 3.57 2cv6A1 TRP 244 HB3 0.14 -0.19 0.22 -0.04 3.23 3.36 2cv6A1 TRP 244 HD1 -0.13 -0.06 -0.81 -0.04 7.22 6.19 2cv6A1 TRP 244 HE1 -0.14 0.00 -0.22 -0.04 10.20 9.80 2cv6A1 TRP 244 HE3 0.12 -0.02 -0.17 -0.04 7.59 7.48 2cv6A1 TRP 244 HZ2 0.08 -0.00 -0.18 -0.04 7.44 7.29 2cv6A1 TRP 244 HZ3 -0.10 0.04 -0.16 -0.04 7.13 6.87 2cv6A1 TRP 244 HH2 0.13 0.03 -0.18 -0.04 7.19 7.13 2cv6A1 PHE 245 H 0.06 0.76 0.36 -0.55 8.34 8.97 2cv6A1 PHE 245 HA 0.09 0.10 1.00 -0.75 4.62 5.05 2cv6A1 PHE 245 HB2 -0.10 -0.01 0.19 -0.04 3.15 3.18 2cv6A1 PHE 245 HB3 -0.02 0.15 -0.08 -0.04 3.06 3.07 2cv6A1 PHE 245 HD2 -0.06 0.16 0.03 -0.04 7.28 7.37 2cv6A1 PHE 245 HE2 -0.04 0.04 0.00 -0.04 7.38 7.34 2cv6A1 PHE 245 HZ -0.02 -0.02 -0.00 -0.04 7.32 7.24 2cv6A1 GLU 246 H 0.17 0.33 0.22 -0.55 8.60 8.77 2cv6A1 GLU 246 HA 0.08 0.19 0.94 -0.75 4.29 4.74 2cv6A1 GLU 246 HB2 0.38 -0.02 -0.28 -0.04 2.09 2.14 2cv6A1 GLU 246 HB3 0.06 -0.02 -0.01 -0.04 1.99 1.98 2cv6A1 GLU 246 HG2 -0.12 -0.07 -0.28 -0.04 2.34 1.83 2cv6A1 GLU 246 HG3 -0.26 0.19 0.02 -0.04 2.34 2.25 2cv6A1 ILE 247 H 0.09 0.63 0.27 -0.55 8.25 8.69 2cv6A1 ILE 247 HA 0.06 0.17 0.90 -0.75 4.18 4.55 2cv6A1 ILE 247 HB 0.13 0.08 -0.05 -0.04 1.89 2.00 2cv6A1 ILE 247 HG12 0.11 -0.02 -0.09 -0.04 1.49 1.45 2cv6A1 ILE 247 HG13 0.07 -0.04 -0.31 -0.04 1.21 0.88 2cv6A1 ILE 247 HG23 0.24 -0.04 0.03 -0.04 0.93 1.11 2cv6A1 ILE 247 HD13 0.01 -0.01 0.07 -0.04 0.88 0.91 2cv6A1 THR 248 H 0.04 0.17 0.10 -0.55 8.28 8.03 2cv6A1 THR 248 HA 0.16 0.28 0.99 -0.75 4.39 5.07 2cv6A1 THR 248 HB 0.08 -0.06 0.04 -0.04 4.32 4.34 2cv6A1 THR 248 HG23 0.04 0.03 -0.19 -0.04 1.22 1.05 2cv6A1 PRO 249 HA 0.01 0.13 0.26 -0.51 4.44 4.34 2cv6A1 PRO 249 HB2 0.04 -0.02 -0.05 -0.04 2.28 2.21 2cv6A1 PRO 249 HB3 0.03 0.06 -0.09 -0.04 2.02 1.99 2cv6A1 PRO 249 HG2 0.08 -0.09 -0.20 -0.04 2.03 1.78 2cv6A1 PRO 249 HG3 0.09 0.41 -0.14 -0.04 2.03 2.34 2cv6A1 PRO 249 HD2 0.12 0.02 0.01 -0.04 3.68 3.78 2cv6A1 PRO 249 HD3 0.20 0.17 -0.00 -0.04 3.65 3.98 2cv6A1 GLU 250 H 0.03 0.05 -0.28 -0.55 8.60 7.86 2cv6A1 GLU 250 HA 0.01 0.07 0.32 -0.75 4.29 3.94 2cv6A1 GLU 250 HB2 0.00 0.05 -0.08 -0.04 2.09 2.03 2cv6A1 GLU 250 HB3 0.01 0.04 0.05 -0.04 1.99 2.05 2cv6A1 GLU 250 HG2 0.03 -0.11 -0.01 -0.04 2.34 2.22 2cv6A1 GLU 250 HG3 0.02 0.07 0.00 -0.04 2.34 2.39 2cv6A1 LYS 251 H -0.01 0.22 -0.48 -0.55 8.42 7.60 2cv6A1 LYS 251 HA -0.03 0.24 0.97 -0.75 4.32 4.75 2cv6A1 LYS 251 HB2 -0.02 0.02 0.22 -0.04 1.87 2.04 2cv6A1 LYS 251 HB3 -0.01 -0.01 -0.02 -0.04 1.79 1.70 2cv6A1 LYS 251 HG2 -0.00 -0.14 0.04 -0.04 1.46 1.32 2cv6A1 LYS 251 HG3 -0.01 0.06 0.08 -0.04 1.46 1.55 2cv6A1 LYS 251 HD2 0.00 -0.05 0.09 -0.04 1.69 1.70 2cv6A1 LYS 251 HD3 -0.00 0.06 0.08 -0.04 1.68 1.77 2cv6A1 LYS 251 HE2 -0.01 0.04 0.02 -0.04 2.99 3.00 2cv6A1 LYS 251 HE3 -0.01 0.03 0.00 -0.04 2.99 2.97 2cv6A1 ASN 252 H -0.05 0.43 -0.35 -0.55 8.53 8.01 2cv6A1 ASN 252 HA -0.15 0.09 0.41 -0.75 4.76 4.36 2cv6A1 ASN 252 HB2 -0.23 0.36 0.02 -0.04 2.88 2.99 2cv6A1 ASN 252 HB3 -0.20 -0.07 -0.12 -0.04 2.79 2.36 2cv6A1 ASN 252 HD21 -1.55 0.01 -0.00 -0.04 7.03 5.44 2cv6A1 ASN 252 HD22 -0.61 0.11 0.04 -0.04 7.74 7.24 2cv6A1 PRO 253 HA -0.04 0.10 0.46 -0.51 4.44 4.45 2cv6A1 PRO 253 HB2 -0.04 0.09 0.01 -0.04 2.28 2.31 2cv6A1 PRO 253 HB3 -0.04 0.06 0.12 -0.04 2.02 2.13 2cv6A1 PRO 253 HG2 -0.08 -0.09 0.15 -0.04 2.03 1.97 2cv6A1 PRO 253 HG3 -0.05 0.11 0.11 -0.04 2.03 2.16 2cv6A1 PRO 253 HD2 -0.13 0.14 0.22 -0.04 3.68 3.87 2cv6A1 PRO 253 HD3 -0.07 0.18 0.16 -0.04 3.65 3.87 2cv6A1 GLN 254 H -0.12 0.19 -0.06 -0.55 8.47 7.94 2cv6A1 GLN 254 HA -0.01 0.11 0.37 -0.75 4.36 4.08 2cv6A1 GLN 254 HB2 -0.10 -0.03 -0.01 -0.04 2.15 1.97 2cv6A1 GLN 254 HB3 0.07 -0.03 -0.01 -0.04 2.02 2.02 2cv6A1 GLN 254 HG2 0.01 0.13 0.03 -0.04 2.40 2.53 2cv6A1 GLN 254 HG3 -0.05 -0.03 0.05 -0.04 2.39 2.33 2cv6A1 GLN 254 HE21 0.30 0.06 -0.31 -0.04 6.97 6.97 2cv6A1 GLN 254 HE22 0.08 -0.01 -0.05 -0.04 7.69 7.66 2cv6A1 LEU 255 H -0.14 0.11 -0.39 -0.55 8.37 7.40 2cv6A1 LEU 255 HA 0.06 0.05 0.41 -0.75 4.35 4.11 2cv6A1 LEU 255 HB2 -0.13 -0.05 -0.04 -0.04 1.64 1.37 2cv6A1 LEU 255 HB3 0.01 -0.00 -0.15 -0.04 1.64 1.45 2cv6A1 LEU 255 HG 0.13 0.56 0.08 -0.04 1.64 2.36 2cv6A1 LEU 255 HD13 0.23 -0.03 -0.18 -0.04 0.93 0.91 2cv6A1 LEU 255 HD23 0.10 -0.05 -0.24 -0.04 0.89 0.66 2cv6A1 ARG 256 H -0.03 0.41 -0.10 -0.55 8.46 8.19 2cv6A1 ARG 256 HA 0.02 -0.07 0.47 -0.75 4.34 4.00 2cv6A1 ARG 256 HB2 -0.01 0.12 0.07 -0.04 1.90 2.05 2cv6A1 ARG 256 HB3 -0.02 0.05 0.18 -0.04 1.80 1.97 2cv6A1 ARG 256 HG2 -0.00 0.03 -0.20 -0.04 1.67 1.46 2cv6A1 ARG 256 HG3 0.01 -0.07 0.07 -0.04 1.67 1.64 2cv6A1 ARG 256 HD2 -0.01 0.01 -0.03 -0.04 3.22 3.15 2cv6A1 ARG 256 HD3 -0.00 -0.02 -0.03 -0.04 3.22 3.13 2cv6A1 ASP 257 H 0.00 0.38 -0.30 -0.55 8.40 7.94 2cv6A1 ASP 257 HA 0.01 0.09 0.58 -0.75 4.63 4.55 2cv6A1 ASP 257 HB2 0.01 0.10 0.15 -0.04 2.71 2.93 2cv6A1 ASP 257 HB3 0.01 -0.02 -0.03 -0.04 2.70 2.62 2cv6A1 LEU 258 H 0.03 0.30 -0.08 -0.55 8.37 8.08 2cv6A1 LEU 258 HA 0.06 0.10 0.45 -0.75 4.35 4.20 2cv6A1 LEU 258 HB2 0.07 0.04 0.03 -0.04 1.64 1.73 2cv6A1 LEU 258 HB3 0.08 -0.02 0.02 -0.04 1.64 1.68 2cv6A1 LEU 258 HG 0.06 0.14 0.05 -0.04 1.64 1.84 2cv6A1 LEU 258 HD13 0.10 -0.03 -0.12 -0.04 0.93 0.84 2cv6A1 LEU 258 HD23 0.05 -0.01 -0.11 -0.04 0.89 0.78 2cv6A1 ASP 259 H 0.03 0.07 -0.84 -0.55 8.40 7.12 2cv6A1 ASP 259 HA 0.03 -0.02 0.31 -0.75 4.63 4.19 2cv6A1 ASP 259 HB2 0.03 0.12 -0.05 -0.04 2.71 2.77 2cv6A1 ASP 259 HB3 0.04 0.16 -0.02 -0.04 2.70 2.83 2cv6A1 MET 260 H 0.05 0.50 0.02 -0.55 8.47 8.49 2cv6A1 MET 260 HA -0.06 0.03 0.72 -0.75 4.52 4.45 2cv6A1 MET 260 HB2 -0.04 0.03 0.12 -0.04 2.15 2.21 2cv6A1 MET 260 HB3 -0.06 0.04 -0.00 -0.04 2.03 1.97 2cv6A1 MET 260 HG2 0.05 -0.05 -0.31 -0.04 2.63 2.28 2cv6A1 MET 260 HG3 0.10 -0.07 -0.17 -0.04 2.56 2.37 2cv6A1 MET 260 HE3 -0.00 0.05 -0.08 -0.04 2.10 2.03 2cv6A1 PHE 261 H -0.28 0.31 0.30 -0.55 8.34 8.13 2cv6A1 PHE 261 HA 0.08 0.22 1.07 -0.75 4.62 5.24 2cv6A1 PHE 261 HB2 0.09 0.25 0.11 -0.04 3.15 3.56 2cv6A1 PHE 261 HB3 0.07 -0.14 -0.04 -0.04 3.06 2.92 2cv6A1 PHE 261 HD2 0.08 0.02 -0.58 -0.04 7.28 6.76 2cv6A1 PHE 261 HE2 0.10 -0.00 -0.32 -0.04 7.38 7.12 2cv6A1 PHE 261 HZ 0.14 0.03 -0.25 -0.04 7.32 7.20 2cv6A1 ILE 262 H 0.30 0.48 0.34 -0.55 8.25 8.82 2cv6A1 ILE 262 HA 0.15 0.22 0.91 -0.75 4.18 4.70 2cv6A1 ILE 262 HB 0.20 -0.06 0.05 -0.04 1.89 2.03 2cv6A1 ILE 262 HG12 0.27 -0.02 -0.15 -0.04 1.49 1.55 2cv6A1 ILE 262 HG13 0.29 -0.02 -0.11 -0.04 1.21 1.33 2cv6A1 ILE 262 HG23 0.08 0.00 -0.05 -0.04 0.93 0.92 2cv6A1 ILE 262 HD13 0.11 0.03 -0.17 -0.04 0.88 0.81 2cv6A1 ARG 263 H 0.08 0.34 0.28 -0.55 8.46 8.61 2cv6A1 ARG 263 HA -0.03 0.22 0.85 -0.75 4.34 4.63 2cv6A1 ARG 263 HB2 -0.10 0.02 -0.30 -0.04 1.90 1.48 2cv6A1 ARG 263 HB3 0.08 0.01 -0.07 -0.04 1.80 1.78 2cv6A1 ARG 263 HG2 -0.60 -0.02 -0.28 -0.04 1.67 0.73 2cv6A1 ARG 263 HG3 -0.32 0.03 -0.10 -0.04 1.67 1.24 2cv6A1 ARG 263 HD2 -0.07 -0.02 -0.23 -0.04 3.22 2.86 2cv6A1 ARG 263 HD3 -0.92 -0.01 -0.21 -0.04 3.22 2.03 2cv6A1 SER 264 H -0.17 0.79 0.32 -0.55 8.46 8.85 2cv6A1 SER 264 HA -0.70 0.33 1.02 -0.75 4.49 4.39 2cv6A1 SER 264 HB2 -0.89 -0.03 -0.10 -0.04 3.95 2.89 2cv6A1 SER 264 HB3 -0.28 -0.04 0.09 -0.04 3.93 3.66 2cv6A1 VAL 265 H -0.87 0.56 0.30 -0.55 8.24 7.68 2cv6A1 VAL 265 HA -0.20 0.23 1.19 -0.75 4.13 4.60 2cv6A1 VAL 265 HB -0.28 -0.04 0.06 -0.04 2.12 1.82 2cv6A1 VAL 265 HG13 -1.50 -0.01 -0.13 -0.04 0.97 -0.72 2cv6A1 VAL 265 HG23 0.09 0.01 -0.29 -0.04 0.95 0.72 2cv6A1 ASP 266 H -0.11 0.36 0.35 -0.55 8.40 8.45 2cv6A1 ASP 266 HA -0.02 0.25 1.26 -0.75 4.63 5.37 2cv6A1 ASP 266 HB2 -0.03 0.04 0.02 -0.04 2.71 2.70 2cv6A1 ASP 266 HB3 -0.03 -0.04 0.10 -0.04 2.70 2.69 2cv6A1 MET 267 H 0.03 0.60 0.38 -0.55 8.47 8.93 2cv6A1 MET 267 HA -0.16 0.25 1.14 -0.75 4.52 4.99 2cv6A1 MET 267 HB2 0.07 -0.08 0.01 -0.04 2.15 2.11 2cv6A1 MET 267 HB3 0.03 0.08 0.07 -0.04 2.03 2.17 2cv6A1 MET 267 HG2 -0.03 0.04 -0.25 -0.04 2.63 2.35 2cv6A1 MET 267 HG3 0.14 -0.07 -0.46 -0.04 2.56 2.13 2cv6A1 MET 267 HE3 0.21 -0.01 -0.23 -0.04 2.10 2.03 2cv6A1 LYS 268 H -0.05 0.62 0.33 -0.55 8.42 8.76 2cv6A1 LYS 268 HA -0.00 0.00 0.68 -0.75 4.32 4.24 2cv6A1 LYS 268 HB2 -0.01 0.02 0.15 -0.04 1.87 1.99 2cv6A1 LYS 268 HB3 -0.00 0.02 0.07 -0.04 1.79 1.84 2cv6A1 LYS 268 HG2 -0.01 -0.06 0.03 -0.04 1.46 1.38 2cv6A1 LYS 268 HG3 -0.04 0.06 0.02 -0.04 1.46 1.46 2cv6A1 LYS 268 HD2 -0.01 0.02 0.02 -0.04 1.69 1.67 2cv6A1 LYS 268 HD3 -0.01 -0.05 0.02 -0.04 1.68 1.60 2cv6A1 LYS 268 HE2 -0.01 -0.07 0.02 -0.04 2.99 2.89 2cv6A1 LYS 268 HE3 -0.02 0.14 0.07 -0.04 2.99 3.13 2cv6A1 GLU 269 H 0.01 0.01 0.05 -0.55 8.60 8.13 2cv6A1 GLU 269 HA 0.02 0.22 0.32 -0.75 4.29 4.10 2cv6A1 GLU 269 HB2 0.02 0.07 -0.10 -0.04 2.09 2.03 2cv6A1 GLU 269 HB3 0.02 -0.28 -0.10 -0.04 1.99 1.60 2cv6A1 GLU 269 HG2 0.01 -0.04 0.09 -0.04 2.34 2.36 2cv6A1 GLU 269 HG3 0.01 0.05 -0.04 -0.04 2.34 2.32 2cv6A1 GLY 270 H 0.02 0.72 0.37 -0.55 8.43 9.00 2cv6A1 GLY 270 HA2 0.02 -0.07 0.32 -0.51 4.01 3.78 2cv6A1 GLY 270 HA3 0.02 0.09 0.68 -0.51 4.01 4.29 2cv6A1 SER 271 H 0.04 0.34 -0.13 -0.55 8.46 8.17 2cv6A1 SER 271 HA 0.06 0.23 0.53 -0.75 4.49 4.56 2cv6A1 SER 271 HB2 0.06 0.15 0.14 -0.04 3.95 4.26 2cv6A1 SER 271 HB3 0.13 -0.08 -0.02 -0.04 3.93 3.91 2cv6A1 LEU 272 H 0.12 0.40 0.24 -0.55 8.37 8.58 2cv6A1 LEU 272 HA 0.09 0.16 0.87 -0.75 4.35 4.72 2cv6A1 LEU 272 HB2 0.05 0.07 -0.11 -0.04 1.64 1.61 2cv6A1 LEU 272 HB3 0.06 -0.07 -0.01 -0.04 1.64 1.58 2cv6A1 LEU 272 HG 0.07 -0.01 -0.48 -0.04 1.64 1.17 2cv6A1 LEU 272 HD13 0.05 0.07 -0.07 -0.04 0.93 0.93 2cv6A1 LEU 272 HD23 0.04 -0.03 -0.13 -0.04 0.89 0.73 2cv6A1 LEU 273 H 0.12 0.70 0.24 -0.55 8.37 8.89 2cv6A1 LEU 273 HA 0.09 0.30 0.80 -0.75 4.35 4.77 2cv6A1 LEU 273 HB2 0.27 -0.06 -0.03 -0.04 1.64 1.79 2cv6A1 LEU 273 HB3 0.17 -0.16 0.22 -0.04 1.64 1.82 2cv6A1 LEU 273 HG 0.08 0.08 -0.14 -0.04 1.64 1.63 2cv6A1 LEU 273 HD13 -0.01 0.01 -0.13 -0.04 0.93 0.77 2cv6A1 LEU 273 HD23 0.33 -0.02 -0.16 -0.04 0.89 1.00 2cv6A1 LEU 274 H 0.05 0.59 0.17 -0.55 8.37 8.63 2cv6A1 LEU 274 HA 0.09 0.01 0.26 -0.75 4.35 3.97 2cv6A1 LEU 274 HB2 0.19 -0.06 0.03 -0.04 1.64 1.75 2cv6A1 LEU 274 HB3 0.12 0.02 -0.07 -0.04 1.64 1.67 2cv6A1 LEU 274 HG 0.00 0.19 -0.10 -0.04 1.64 1.70 2cv6A1 LEU 274 HD13 -0.09 -0.08 -0.33 -0.04 0.93 0.39 2cv6A1 LEU 274 HD23 0.03 -0.01 -0.13 -0.04 0.89 0.73 2cv6A1 PRO 275 HA 0.12 0.34 0.43 -0.51 4.44 4.83 2cv6A1 PRO 275 HB2 0.07 -0.08 0.04 -0.04 2.28 2.27 2cv6A1 PRO 275 HB3 0.06 0.05 -0.01 -0.04 2.02 2.08 2cv6A1 PRO 275 HG2 0.05 0.02 0.00 -0.04 2.03 2.06 2cv6A1 PRO 275 HG3 0.06 0.04 0.02 -0.04 2.03 2.11 2cv6A1 PRO 275 HD2 0.08 0.03 0.08 -0.04 3.68 3.83 2cv6A1 PRO 275 HD3 0.07 0.08 0.13 -0.04 3.65 3.89 2cv6A1 HIS 276 H -0.00 0.53 0.49 -0.55 8.41 8.88 2cv6A1 HIS 276 HA -0.22 0.17 0.85 -0.75 4.63 4.68 2cv6A1 HIS 276 HB2 -1.05 -0.08 -0.14 -0.04 3.26 1.96 2cv6A1 HIS 276 HB3 -1.21 0.07 -0.15 -0.04 3.20 1.87 2cv6A1 HIS 276 HD2 -0.10 -0.07 -0.25 -0.04 6.97 6.50 2cv6A1 HIS 276 HE1 0.10 -0.09 -0.18 -0.04 7.75 7.54 2cv6A1 TYR 277 H -0.28 0.48 0.33 -0.55 8.29 8.26 2cv6A1 TYR 277 HA -0.21 0.18 0.65 -0.75 4.56 4.43 2cv6A1 TYR 277 HB2 -0.03 0.05 -0.23 -0.04 3.06 2.81 2cv6A1 TYR 277 HB3 -0.07 -0.01 -0.34 -0.04 2.98 2.53 2cv6A1 TYR 277 HD2 -0.01 0.07 -0.36 -0.04 7.15 6.80 2cv6A1 TYR 277 HE2 0.00 -0.03 -0.09 -0.04 6.85 6.69 2cv6A1 ASN 278 H 0.13 0.24 0.13 -0.55 8.53 8.49 2cv6A1 ASN 278 HA 0.11 0.23 0.82 -0.75 4.76 5.17 2cv6A1 ASN 278 HB2 0.13 0.15 0.12 -0.04 2.88 3.24 2cv6A1 ASN 278 HB3 0.19 -0.16 0.03 -0.04 2.79 2.81 2cv6A1 ASN 278 HD21 0.20 -0.01 -0.14 -0.04 7.03 7.03 2cv6A1 ASN 278 HD22 0.09 0.10 -0.01 -0.04 7.74 7.88 2cv6A1 SER 279 H 0.09 0.55 0.42 -0.55 8.46 8.98 2cv6A1 SER 279 HA 0.25 0.10 0.41 -0.75 4.49 4.49 2cv6A1 SER 279 HB2 0.06 0.04 0.30 -0.04 3.95 4.31 2cv6A1 SER 279 HB3 0.09 -0.21 0.33 -0.04 3.93 4.10 2cv6A1 LYS 280 H 0.11 -0.15 0.07 -0.55 8.42 7.89 2cv6A1 LYS 280 HA 0.06 0.23 0.86 -0.75 4.32 4.71 2cv6A1 LYS 280 HB2 0.04 0.01 0.09 -0.04 1.87 1.96 2cv6A1 LYS 280 HB3 0.06 0.01 -0.14 -0.04 1.79 1.68 2cv6A1 LYS 280 HG2 0.07 -0.18 -0.08 -0.04 1.46 1.23 2cv6A1 LYS 280 HG3 0.06 0.18 -0.19 -0.04 1.46 1.47 2cv6A1 LYS 280 HD2 0.04 -0.07 -0.10 -0.04 1.69 1.52 2cv6A1 LYS 280 HD3 0.05 0.17 -0.21 -0.04 1.68 1.65 2cv6A1 LYS 280 HE2 0.03 -0.04 -0.07 -0.04 2.99 2.87 2cv6A1 LYS 280 HE3 0.03 -0.09 -0.10 -0.04 2.99 2.80 2cv6A1 ALA 281 H 0.10 -0.22 0.03 -0.55 8.40 7.77 2cv6A1 ALA 281 HA -0.02 0.43 0.70 -0.75 4.34 4.70 2cv6A1 ALA 281 HB3 0.02 -0.04 -0.14 -0.04 1.41 1.21 2cv6A1 ILE 282 H -0.10 0.63 0.29 -0.55 8.25 8.52 2cv6A1 ILE 282 HA -0.10 0.13 0.70 -0.75 4.18 4.16 2cv6A1 ILE 282 HB -0.14 -0.04 0.10 -0.04 1.89 1.78 2cv6A1 ILE 282 HG12 -0.12 -0.18 0.05 -0.04 1.49 1.20 2cv6A1 ILE 282 HG13 -0.07 0.13 -0.05 -0.04 1.21 1.18 2cv6A1 ILE 282 HG23 -0.18 -0.02 -0.25 -0.04 0.93 0.44 2cv6A1 ILE 282 HD13 -0.07 -0.00 -0.07 -0.04 0.88 0.69 2cv6A1 VAL 283 H -0.07 0.66 0.18 -0.55 8.24 8.47 2cv6A1 VAL 283 HA -0.06 0.33 1.31 -0.75 4.13 4.95 2cv6A1 VAL 283 HB 0.08 0.07 0.08 -0.04 2.12 2.31 2cv6A1 VAL 283 HG13 0.17 -0.02 -0.33 -0.04 0.97 0.75 2cv6A1 VAL 283 HG23 0.18 0.00 -0.30 -0.04 0.95 0.79 2cv6A1 ILE 284 H 0.04 0.57 0.24 -0.55 8.25 8.55 2cv6A1 ILE 284 HA -0.01 0.16 0.78 -0.75 4.18 4.35 2cv6A1 ILE 284 HB 0.13 -0.09 0.21 -0.04 1.89 2.10 2cv6A1 ILE 284 HG12 -0.38 0.04 -0.13 -0.04 1.49 0.98 2cv6A1 ILE 284 HG13 -0.22 -0.01 -0.14 -0.04 1.21 0.79 2cv6A1 ILE 284 HG23 0.07 0.00 -0.18 -0.04 0.93 0.79 2cv6A1 ILE 284 HD13 -0.26 0.00 -0.09 -0.04 0.88 0.49 2cv6A1 LEU 285 H 0.20 0.64 0.23 -0.55 8.37 8.90 2cv6A1 LEU 285 HA 0.30 0.24 1.31 -0.75 4.35 5.45 2cv6A1 LEU 285 HB2 0.38 0.10 -0.01 -0.04 1.64 2.06 2cv6A1 LEU 285 HB3 0.25 -0.06 -0.10 -0.04 1.64 1.69 2cv6A1 LEU 285 HG 0.22 0.10 -0.06 -0.04 1.64 1.87 2cv6A1 LEU 285 HD13 0.13 -0.04 -0.44 -0.04 0.93 0.53 2cv6A1 LEU 285 HD23 -0.18 -0.02 -0.22 -0.04 0.89 0.43 2cv6A1 VAL 286 H 0.33 0.68 0.32 -0.55 8.24 9.02 2cv6A1 VAL 286 HA 0.26 0.35 1.02 -0.75 4.13 5.01 2cv6A1 VAL 286 HB 0.28 0.11 -0.04 -0.04 2.12 2.43 2cv6A1 VAL 286 HG13 0.36 0.01 -0.26 -0.04 0.97 1.04 2cv6A1 VAL 286 HG23 0.29 -0.03 -0.15 -0.04 0.95 1.02 2cv6A1 ILE 287 H 0.23 0.57 0.03 -0.55 8.25 8.53 2cv6A1 ILE 287 HA 0.23 0.09 0.62 -0.75 4.18 4.37 2cv6A1 ILE 287 HB 0.17 -0.04 -0.15 -0.04 1.89 1.84 2cv6A1 ILE 287 HG12 0.17 0.11 -0.25 -0.04 1.49 1.49 2cv6A1 ILE 287 HG13 0.13 -0.09 -0.37 -0.04 1.21 0.84 2cv6A1 ILE 287 HG23 0.13 -0.00 -0.57 -0.04 0.93 0.44 2cv6A1 ILE 287 HD13 0.04 0.01 -0.37 -0.04 0.88 0.52 2cv6A1 ASN 288 H 0.22 0.37 0.35 -0.55 8.53 8.92 2cv6A1 ASN 288 HA 0.18 0.05 0.50 -0.75 4.76 4.73 2cv6A1 ASN 288 HB2 0.27 -0.04 0.08 -0.04 2.88 3.15 2cv6A1 ASN 288 HB3 0.15 0.02 0.23 -0.04 2.79 3.15 2cv6A1 ASN 288 HD21 0.17 0.22 -0.08 -0.04 7.03 7.30 2cv6A1 ASN 288 HD22 0.21 -0.03 -0.02 -0.04 7.74 7.86 2cv6A1 GLU 289 H 0.12 0.36 0.25 -0.55 8.60 8.79 2cv6A1 GLU 289 HA 0.09 0.11 0.79 -0.75 4.29 4.52 2cv6A1 GLU 289 HB2 0.06 -0.01 0.07 -0.04 2.09 2.18 2cv6A1 GLU 289 HB3 0.08 0.06 -0.14 -0.04 1.99 1.94 2cv6A1 GLU 289 HG2 0.08 -0.04 0.05 -0.04 2.34 2.38 2cv6A1 GLU 289 HG3 0.06 0.03 -0.04 -0.04 2.34 2.35 2cv6A1 GLY 290 H 0.07 0.10 0.17 -0.55 8.43 8.22 2cv6A1 GLY 290 HA2 0.05 0.03 0.27 -0.51 4.01 3.85 2cv6A1 GLY 290 HA3 0.06 0.24 0.81 -0.51 4.01 4.61 2cv6A1 LYS 291 H 0.04 0.17 -0.04 -0.55 8.42 8.04 2cv6A1 LYS 291 HA 0.05 0.30 0.87 -0.75 4.32 4.79 2cv6A1 LYS 291 HB2 0.03 0.03 -0.14 -0.04 1.87 1.75 2cv6A1 LYS 291 HB3 0.03 0.03 0.06 -0.04 1.79 1.87 2cv6A1 LYS 291 HG2 0.05 0.04 -0.01 -0.04 1.46 1.49 2cv6A1 LYS 291 HG3 0.05 -0.15 -0.35 -0.04 1.46 0.97 2cv6A1 LYS 291 HD2 0.03 -0.02 -0.03 -0.04 1.69 1.64 2cv6A1 LYS 291 HD3 0.03 0.03 -0.01 -0.04 1.68 1.68 2cv6A1 LYS 291 HE2 0.03 -0.01 -0.02 -0.04 2.99 2.96 2cv6A1 LYS 291 HE3 0.03 -0.01 -0.00 -0.04 2.99 2.97 2cv6A1 ALA 292 H 0.02 0.50 0.24 -0.55 8.40 8.61 2cv6A1 ALA 292 HA -0.00 -0.10 0.61 -0.75 4.34 4.10 2cv6A1 ALA 292 HB3 -0.04 0.05 -0.16 -0.04 1.41 1.22 2cv6A1 ASN 293 H -0.03 0.52 0.38 -0.55 8.53 8.85 2cv6A1 ASN 293 HA -0.07 0.19 1.08 -0.75 4.76 5.20 2cv6A1 ASN 293 HB2 -0.02 -0.01 0.14 -0.04 2.88 2.94 2cv6A1 ASN 293 HB3 -0.04 0.06 0.02 -0.04 2.79 2.79 2cv6A1 ASN 293 HD21 -0.00 -0.00 -0.03 -0.04 7.03 6.95 2cv6A1 ASN 293 HD22 -0.01 0.02 -0.01 -0.04 7.74 7.70 2cv6A1 ILE 294 H -0.14 0.60 0.38 -0.55 8.25 8.55 2cv6A1 ILE 294 HA -0.15 0.30 1.15 -0.75 4.18 4.73 2cv6A1 ILE 294 HB -0.40 -0.07 -0.20 -0.04 1.89 1.18 2cv6A1 ILE 294 HG12 -0.40 0.03 -0.28 -0.04 1.49 0.80 2cv6A1 ILE 294 HG13 -0.25 0.11 -0.06 -0.04 1.21 0.96 2cv6A1 ILE 294 HG23 -0.90 0.02 -0.14 -0.04 0.93 -0.13 2cv6A1 ILE 294 HD13 -0.79 -0.01 -0.24 -0.04 0.88 -0.20 2cv6A1 GLU 295 H -0.06 0.70 0.33 -0.55 8.60 9.02 2cv6A1 GLU 295 HA 0.03 0.24 1.03 -0.75 4.29 4.84 2cv6A1 GLU 295 HB2 0.01 -0.01 0.15 -0.04 2.09 2.20 2cv6A1 GLU 295 HB3 0.02 0.03 -0.02 -0.04 1.99 1.98 2cv6A1 GLU 295 HG2 0.01 0.04 -0.08 -0.04 2.34 2.28 2cv6A1 GLU 295 HG3 -0.01 -0.05 -0.22 -0.04 2.34 2.03 2cv6A1 LEU 296 H 0.15 0.82 0.34 -0.55 8.37 9.14 2cv6A1 LEU 296 HA 0.09 0.25 1.01 -0.75 4.35 4.94 2cv6A1 LEU 296 HB2 0.25 -0.07 -0.16 -0.04 1.64 1.62 2cv6A1 LEU 296 HB3 0.34 -0.02 0.11 -0.04 1.64 2.03 2cv6A1 LEU 296 HG 0.06 0.01 -0.08 -0.04 1.64 1.59 2cv6A1 LEU 296 HD13 -0.06 -0.03 -0.23 -0.04 0.93 0.57 2cv6A1 LEU 296 HD23 0.10 0.04 -0.17 -0.04 0.89 0.81 2cv6A1 VAL 297 H 0.05 0.88 0.30 -0.55 8.24 8.91 2cv6A1 VAL 297 HA 0.03 0.11 0.96 -0.75 4.13 4.48 2cv6A1 VAL 297 HB -0.02 0.05 0.26 -0.04 2.12 2.37 2cv6A1 VAL 297 HG13 -0.06 -0.00 -0.11 -0.04 0.97 0.75 2cv6A1 VAL 297 HG23 0.01 -0.03 -0.09 -0.04 0.95 0.80 2cv6A1 GLY 298 H 0.09 0.49 0.24 -0.55 8.43 8.71 2cv6A1 GLY 298 HA2 -0.87 0.22 0.92 -0.51 4.01 3.77 2cv6A1 GLY 298 HA3 -0.34 -0.04 0.32 -0.51 4.01 3.44 2cv6A1 GLN 299 H -0.23 0.11 0.14 -0.55 8.47 7.95 2cv6A1 GLN 299 HA -0.00 0.16 0.64 -0.75 4.36 4.41 2cv6A1 GLN 299 HB2 0.05 0.03 0.08 -0.04 2.15 2.27 2cv6A1 GLN 299 HB3 0.21 -0.04 0.01 -0.04 2.02 2.16 2cv6A1 GLN 299 HG2 0.10 0.10 -0.02 -0.04 2.40 2.54 2cv6A1 GLN 299 HG3 0.08 0.06 0.07 -0.04 2.39 2.56 2cv6A1 GLN 299 HE21 0.11 -0.03 -0.12 -0.04 6.97 6.88 2cv6A1 GLN 299 HE22 0.15 -0.04 -0.17 -0.04 7.69 7.59 2cv6A1 ARG 300 H 0.07 0.24 0.20 -0.55 8.46 8.42 2cv6A1 ARG 300 HA 0.09 0.05 0.49 -0.75 4.34 4.22 2cv6A1 ARG 300 HB2 0.03 0.10 0.05 -0.04 1.90 2.05 2cv6A1 ARG 300 HB3 0.05 -0.01 0.12 -0.04 1.80 1.92 2cv6A1 ARG 300 HG2 0.04 -0.02 -0.06 -0.04 1.67 1.58 2cv6A1 ARG 300 HG3 0.00 0.03 -0.01 -0.04 1.67 1.65 2cv6A1 ARG 300 HD2 0.01 0.02 -0.07 -0.04 3.22 3.14 2cv6A1 ARG 300 HD3 0.02 -0.02 -0.03 -0.04 3.22 3.15 2cv6A1 GLU 301 H 0.17 0.16 0.11 -0.55 8.60 8.49 2cv6A1 GLU 301 HA 0.13 0.07 0.23 -0.75 4.29 3.96 2cv6A1 GLU 301 HB2 0.06 0.13 -0.15 -0.04 2.09 2.09 2cv6A1 GLU 301 HB3 0.05 0.00 0.09 -0.04 1.99 2.09 2cv6A1 GLU 301 HG2 0.06 0.03 0.04 -0.04 2.34 2.42 2cv6A1 GLU 301 HG3 0.05 -0.04 -0.10 -0.04 2.34 2.20 2cv6A1 GLU 311 HA 0.02 0.01 0.20 -0.75 4.29 3.76 2cv6A1 GLU 311 HB2 -0.00 -0.02 0.10 -0.04 2.09 2.12 2cv6A1 GLU 311 HB3 -0.04 -0.04 0.14 -0.04 1.99 2.02 2cv6A1 GLU 311 HG2 -0.04 -0.01 0.07 -0.04 2.34 2.32 2cv6A1 GLU 311 HG3 0.01 0.03 0.03 -0.04 2.34 2.37 2cv6A1 SER 312 H 0.02 0.14 0.18 -0.55 8.46 8.25 2cv6A1 SER 312 HA -0.15 0.20 0.90 -0.75 4.49 4.68 2cv6A1 SER 312 HB2 -0.03 -0.08 0.17 -0.04 3.95 3.97 2cv6A1 SER 312 HB3 -0.03 0.06 0.02 -0.04 3.93 3.94 2cv6A1 TRP 313 H 0.07 0.11 0.13 -0.55 7.97 7.74 2cv6A1 TRP 313 HA -0.02 0.26 0.79 -0.75 4.62 4.90 2cv6A1 TRP 313 HB2 -0.02 -0.04 0.09 -0.04 3.23 3.22 2cv6A1 TRP 313 HB3 -0.02 0.02 0.19 -0.04 3.23 3.37 2cv6A1 TRP 313 HD1 -0.01 0.12 -0.17 -0.04 7.22 7.11 2cv6A1 TRP 313 HE1 -0.01 0.01 -0.06 -0.04 10.20 10.10 2cv6A1 TRP 313 HE3 -0.02 -0.01 0.01 -0.04 7.59 7.53 2cv6A1 TRP 313 HZ2 -0.01 -0.00 -0.02 -0.04 7.44 7.37 2cv6A1 TRP 313 HZ3 -0.02 -0.01 0.00 -0.04 7.13 7.06 2cv6A1 TRP 313 HH2 -0.01 -0.02 -0.00 -0.04 7.19 7.11 2cv6A1 GLU 314 H 0.11 0.01 -0.19 -0.55 8.60 7.98 2cv6A1 GLU 314 HA 0.07 0.11 0.71 -0.75 4.29 4.43 2cv6A1 GLU 314 HB2 0.03 0.10 0.02 -0.04 2.09 2.19 2cv6A1 GLU 314 HB3 0.05 -0.03 0.07 -0.04 1.99 2.04 2cv6A1 GLU 314 HG2 0.05 -0.11 0.06 -0.04 2.34 2.30 2cv6A1 GLU 314 HG3 0.03 0.01 -0.03 -0.04 2.34 2.31 2cv6A1 VAL 315 H 0.01 0.13 0.19 -0.55 8.24 8.02 2cv6A1 VAL 315 HA -0.02 0.20 0.99 -0.75 4.13 4.54 2cv6A1 VAL 315 HB -0.05 0.01 -0.02 -0.04 2.12 2.02 2cv6A1 VAL 315 HG13 -0.03 -0.03 0.04 -0.04 0.97 0.91 2cv6A1 VAL 315 HG23 -0.08 0.06 -0.10 -0.04 0.95 0.78 2cv6A1 GLN 316 H -0.04 0.51 0.18 -0.55 8.47 8.57 2cv6A1 GLN 316 HA -0.10 0.25 1.02 -0.75 4.36 4.79 2cv6A1 GLN 316 HB2 -0.08 -0.09 -0.07 -0.04 2.15 1.87 2cv6A1 GLN 316 HB3 -0.18 0.02 -0.19 -0.04 2.02 1.63 2cv6A1 GLN 316 HG2 -0.48 0.15 -0.04 -0.04 2.40 1.99 2cv6A1 GLN 316 HG3 -0.17 0.18 0.13 -0.04 2.39 2.49 2cv6A1 GLN 316 HE21 -0.08 -0.04 -0.01 -0.04 6.97 6.81 2cv6A1 GLN 316 HE22 -0.22 -0.05 -0.08 -0.04 7.69 7.29 2cv6A1 ARG 317 H -0.18 0.52 0.32 -0.55 8.46 8.57 2cv6A1 ARG 317 HA -0.08 0.21 1.11 -0.75 4.34 4.83 2cv6A1 ARG 317 HB2 -0.05 -0.01 0.00 -0.04 1.90 1.81 2cv6A1 ARG 317 HB3 -0.07 0.03 0.13 -0.04 1.80 1.85 2cv6A1 ARG 317 HG2 0.01 0.01 -0.33 -0.04 1.67 1.32 2cv6A1 ARG 317 HG3 0.01 0.02 -0.06 -0.04 1.67 1.59 2cv6A1 ARG 317 HD2 -0.00 -0.00 -0.09 -0.04 3.22 3.08 2cv6A1 ARG 317 HD3 -0.01 -0.02 -0.10 -0.04 3.22 3.04 2cv6A1 TYR 318 H 0.15 0.83 0.44 -0.55 8.29 9.16 2cv6A1 TYR 318 HA 0.13 0.22 1.05 -0.75 4.56 5.20 2cv6A1 TYR 318 HB2 0.21 0.05 0.19 -0.04 3.06 3.47 2cv6A1 TYR 318 HB3 0.32 -0.06 0.02 -0.04 2.98 3.22 2cv6A1 TYR 318 HD2 0.15 0.02 -0.01 -0.04 7.15 7.27 2cv6A1 TYR 318 HE2 0.13 0.03 -0.06 -0.04 6.85 6.91 2cv6A1 ARG 319 H 0.19 0.74 0.35 -0.55 8.46 9.19 2cv6A1 ARG 319 HA 0.10 0.40 1.12 -0.75 4.34 5.20 2cv6A1 ARG 319 HB2 0.04 0.00 -0.11 -0.04 1.90 1.79 2cv6A1 ARG 319 HB3 0.05 -0.02 -0.03 -0.04 1.80 1.75 2cv6A1 ARG 319 HG2 -0.00 -0.10 -0.11 -0.04 1.67 1.42 2cv6A1 ARG 319 HG3 -0.00 0.12 0.10 -0.04 1.67 1.86 2cv6A1 ARG 319 HD2 0.01 0.03 -0.07 -0.04 3.22 3.14 2cv6A1 ARG 319 HD3 0.01 -0.03 -0.09 -0.04 3.22 3.07 2cv6A1 ALA 320 H -0.03 0.47 0.35 -0.55 8.40 8.65 2cv6A1 ALA 320 HA -0.13 -0.07 0.54 -0.75 4.34 3.93 2cv6A1 ALA 320 HB3 -0.19 0.07 -0.06 -0.04 1.41 1.19 2cv6A1 GLU 321 H -0.28 0.16 0.18 -0.55 8.60 8.12 2cv6A1 GLU 321 HA -0.07 0.20 1.02 -0.75 4.29 4.69 2cv6A1 GLU 321 HB2 -0.07 -0.04 0.17 -0.04 2.09 2.12 2cv6A1 GLU 321 HB3 -0.02 0.05 -0.00 -0.04 1.99 1.98 2cv6A1 GLU 321 HG2 -0.03 0.04 -0.03 -0.04 2.34 2.27 2cv6A1 GLU 321 HG3 -0.05 -0.06 -0.05 -0.04 2.34 2.14 2cv6A1 LEU 322 H -0.02 0.87 0.35 -0.55 8.37 9.03 2cv6A1 LEU 322 HA 0.28 0.10 0.75 -0.75 4.35 4.72 2cv6A1 LEU 322 HB2 0.04 -0.02 -0.12 -0.04 1.64 1.50 2cv6A1 LEU 322 HB3 0.18 0.00 -0.14 -0.04 1.64 1.64 2cv6A1 LEU 322 HG -0.07 0.06 -0.17 -0.04 1.64 1.42 2cv6A1 LEU 322 HD13 -0.17 0.00 -0.28 -0.04 0.93 0.45 2cv6A1 LEU 322 HD23 0.31 0.01 -0.41 -0.04 0.89 0.76 2cv6A1 SER 323 H 0.22 0.22 0.19 -0.55 8.46 8.55 2cv6A1 SER 323 HA 0.10 0.25 0.76 -0.75 4.49 4.85 2cv6A1 SER 323 HB2 0.10 -0.01 0.11 -0.04 3.95 4.10 2cv6A1 SER 323 HB3 0.09 0.03 -0.08 -0.04 3.93 3.93 2cv6A1 GLU 324 H 0.10 0.19 0.13 -0.55 8.60 8.48 2cv6A1 GLU 324 HA 0.13 0.07 0.19 -0.75 4.29 3.92 2cv6A1 GLU 324 HB2 0.09 -0.09 0.19 -0.04 2.09 2.23 2cv6A1 GLU 324 HB3 0.09 -0.08 0.15 -0.04 1.99 2.10 2cv6A1 GLU 324 HG2 0.09 -0.06 -0.16 -0.04 2.34 2.17 2cv6A1 GLU 324 HG3 0.10 0.28 0.03 -0.04 2.34 2.71 2cv6A1 ASP 325 H 0.16 0.86 0.29 -0.55 8.40 9.16 2cv6A1 ASP 325 HA 0.18 0.06 0.44 -0.75 4.63 4.56 2cv6A1 ASP 325 HB2 0.13 0.36 0.32 -0.04 2.71 3.49 2cv6A1 ASP 325 HB3 0.16 -0.10 0.12 -0.04 2.70 2.84 2cv6A1 ASP 326 H 0.20 0.61 -0.15 -0.55 8.40 8.51 2cv6A1 ASP 326 HA 0.23 0.04 0.50 -0.75 4.63 4.64 2cv6A1 ASP 326 HB2 0.27 -0.08 0.09 -0.04 2.71 2.95 2cv6A1 ASP 326 HB3 0.24 0.06 0.00 -0.04 2.70 2.96 2cv6A1 VAL 327 H 0.15 0.61 0.30 -0.55 8.24 8.75 2cv6A1 VAL 327 HA 0.24 0.30 1.11 -0.75 4.13 5.03 2cv6A1 VAL 327 HB 0.04 -0.00 0.12 -0.04 2.12 2.23 2cv6A1 VAL 327 HG13 0.07 0.00 -0.24 -0.04 0.97 0.76 2cv6A1 VAL 327 HG23 0.19 0.01 -0.15 -0.04 0.95 0.96 2cv6A1 PHE 328 H 0.31 0.72 0.26 -0.55 8.34 9.07 2cv6A1 PHE 328 HA 0.25 0.40 1.03 -0.75 4.62 5.55 2cv6A1 PHE 328 HB2 0.20 -0.10 -0.27 -0.04 3.15 2.95 2cv6A1 PHE 328 HB3 0.11 -0.04 -0.07 -0.04 3.06 3.02 2cv6A1 PHE 328 HD2 0.22 -0.07 -0.38 -0.04 7.28 7.01 2cv6A1 PHE 328 HE2 0.09 -0.02 -0.30 -0.04 7.38 7.12 2cv6A1 PHE 328 HZ 0.12 0.01 -0.25 -0.04 7.32 7.16 2cv6A1 ILE 329 H -0.31 0.51 0.20 -0.55 8.25 8.11 2cv6A1 ILE 329 HA -0.03 0.23 1.04 -0.75 4.18 4.66 2cv6A1 ILE 329 HB 0.02 0.06 0.11 -0.04 1.89 2.05 2cv6A1 ILE 329 HG12 -0.73 -0.01 -0.10 -0.04 1.49 0.62 2cv6A1 ILE 329 HG13 -0.38 0.01 -0.12 -0.04 1.21 0.67 2cv6A1 ILE 329 HG23 -0.02 -0.02 -0.26 -0.04 0.93 0.59 2cv6A1 ILE 329 HD13 -0.14 0.03 -0.25 -0.04 0.88 0.48 2cv6A1 ILE 330 H -0.02 0.74 0.27 -0.55 8.25 8.69 2cv6A1 ILE 330 HA -0.14 0.18 0.82 -0.75 4.18 4.28 2cv6A1 ILE 330 HB 0.04 -0.09 0.19 -0.04 1.89 1.99 2cv6A1 ILE 330 HG12 0.31 0.02 -0.26 -0.04 1.49 1.52 2cv6A1 ILE 330 HG13 0.27 0.02 -0.23 -0.04 1.21 1.22 2cv6A1 ILE 330 HG23 -0.00 0.03 -0.14 -0.04 0.93 0.78 2cv6A1 ILE 330 HD13 0.10 -0.02 -0.16 -0.04 0.88 0.76 2cv6A1 PRO 331 HA -0.30 -0.05 0.42 -0.51 4.44 4.00 2cv6A1 PRO 331 HB2 -1.98 0.01 0.01 -0.04 2.28 0.29 2cv6A1 PRO 331 HB3 -0.68 0.09 0.09 -0.04 2.02 1.48 2cv6A1 PRO 331 HG2 -0.77 -0.00 -0.01 -0.04 2.03 1.21 2cv6A1 PRO 331 HG3 -0.24 0.02 -0.07 -0.04 2.03 1.70 2cv6A1 PRO 331 HD2 -0.70 0.07 0.14 -0.04 3.68 3.16 2cv6A1 PRO 331 HD3 -0.62 0.42 -0.06 -0.04 3.65 3.35 2cv6A1 ALA 332 H -0.19 0.03 0.11 -0.55 8.40 7.81 2cv6A1 ALA 332 HA -0.03 0.16 0.31 -0.75 4.34 4.04 2cv6A1 ALA 332 HB3 -0.03 -0.00 -0.16 -0.04 1.41 1.18 2cv6A1 THR 333 H 0.09 0.29 0.19 -0.55 8.28 8.30 2cv6A1 THR 333 HA 0.08 0.06 0.32 -0.75 4.39 4.09 2cv6A1 THR 333 HB -0.18 -0.09 0.13 -0.04 4.32 4.13 2cv6A1 THR 333 HG23 0.04 -0.05 -0.06 -0.04 1.22 1.12 2cv6A1 TYR 334 H 0.10 0.43 -0.47 -0.55 8.29 7.81 2cv6A1 TYR 334 HA -0.11 0.13 0.61 -0.75 4.56 4.44 2cv6A1 TYR 334 HB2 -0.12 0.04 0.02 -0.04 3.06 2.97 2cv6A1 TYR 334 HB3 -0.09 0.06 -0.08 -0.04 2.98 2.82 2cv6A1 TYR 334 HD2 -0.20 -0.00 -0.18 -0.04 7.15 6.73 2cv6A1 TYR 334 HE2 -0.05 -0.00 0.00 -0.04 6.85 6.76 2cv6A1 PRO 335 HA 0.04 0.20 0.62 -0.51 4.44 4.80 2cv6A1 PRO 335 HB2 0.00 -0.08 0.12 -0.04 2.28 2.28 2cv6A1 PRO 335 HB3 0.04 -0.03 0.01 -0.04 2.02 2.01 2cv6A1 PRO 335 HG2 -0.07 -0.03 0.07 -0.04 2.03 1.97 2cv6A1 PRO 335 HG3 -0.09 0.05 -0.00 -0.04 2.03 1.95 2cv6A1 PRO 335 HD2 -0.10 0.33 0.39 -0.04 3.68 4.26 2cv6A1 PRO 335 HD3 -0.13 0.22 0.37 -0.04 3.65 4.07 2cv6A1 VAL 336 H -0.11 0.65 0.46 -0.55 8.24 8.69 2cv6A1 VAL 336 HA 0.02 0.27 1.16 -0.75 4.13 4.82 2cv6A1 VAL 336 HB 0.00 0.03 -0.17 -0.04 2.12 1.94 2cv6A1 VAL 336 HG13 -0.19 0.01 -0.10 -0.04 0.97 0.65 2cv6A1 VAL 336 HG23 -0.01 -0.01 -0.16 -0.04 0.95 0.73 2cv6A1 ALA 337 H 0.01 0.67 0.36 -0.55 8.40 8.90 2cv6A1 ALA 337 HA 0.12 0.30 0.80 -0.75 4.34 4.81 2cv6A1 ALA 337 HB3 0.05 -0.02 -0.00 -0.04 1.41 1.40 2cv6A1 ILE 338 H 0.09 0.39 0.20 -0.55 8.25 8.38 2cv6A1 ILE 338 HA -0.07 0.25 1.05 -0.75 4.18 4.66 2cv6A1 ILE 338 HB 0.02 -0.03 -0.00 -0.04 1.89 1.84 2cv6A1 ILE 338 HG12 -0.15 0.05 -0.29 -0.04 1.49 1.05 2cv6A1 ILE 338 HG13 0.03 0.01 -0.32 -0.04 1.21 0.89 2cv6A1 ILE 338 HG23 -0.21 -0.01 -0.26 -0.04 0.93 0.41 2cv6A1 ILE 338 HD13 -0.32 0.00 -0.21 -0.04 0.88 0.31 2cv6A1 ASN 339 H -0.04 0.64 0.26 -0.55 8.53 8.85 2cv6A1 ASN 339 HA 0.04 0.27 0.99 -0.75 4.76 5.30 2cv6A1 ASN 339 HB2 0.01 0.03 -0.10 -0.04 2.88 2.78 2cv6A1 ASN 339 HB3 -0.01 -0.09 0.18 -0.04 2.79 2.84 2cv6A1 ASN 339 HD21 0.03 -0.11 -0.23 -0.04 7.03 6.68 2cv6A1 ASN 339 HD22 0.04 0.42 0.19 -0.04 7.74 8.34 2cv6A1 ALA 340 H 0.05 0.41 0.03 -0.55 8.40 8.34 2cv6A1 ALA 340 HA 0.02 0.16 0.70 -0.75 4.34 4.47 2cv6A1 ALA 340 HB3 0.05 0.09 0.08 -0.04 1.41 1.59 2cv6A1 THR 341 H 0.01 0.26 0.11 -0.55 8.28 8.12 2cv6A1 THR 341 HA 0.02 0.08 0.60 -0.75 4.39 4.34 2cv6A1 THR 341 HB 0.01 0.01 0.15 -0.04 4.32 4.45 2cv6A1 THR 341 HG23 0.01 0.03 -0.04 -0.04 1.22 1.17 2cv6A1 SER 342 H 0.03 0.40 -0.81 -0.55 8.46 7.53 2cv6A1 SER 342 HA 0.02 0.04 0.36 -0.75 4.49 4.16 2cv6A1 SER 342 HB2 0.03 0.20 0.25 -0.04 3.95 4.39 2cv6A1 SER 342 HB3 0.03 -0.20 -0.24 -0.04 3.93 3.48 2cv6A1 ASN 343 H 0.03 0.14 0.17 -0.55 8.53 8.32 2cv6A1 ASN 343 HA 0.02 0.24 0.76 -0.75 4.76 5.02 2cv6A1 ASN 343 HB2 0.02 -0.03 0.24 -0.04 2.88 3.07 2cv6A1 ASN 343 HB3 0.02 0.11 0.10 -0.04 2.79 2.98 2cv6A1 ASN 343 HD21 0.01 0.04 0.09 -0.04 7.03 7.13 2cv6A1 ASN 343 HD22 0.02 0.01 0.13 -0.04 7.74 7.85 2cv6A1 LEU 344 H 0.05 0.38 0.37 -0.55 8.37 8.62 2cv6A1 LEU 344 HA 0.07 0.34 1.14 -0.75 4.35 5.14 2cv6A1 LEU 344 HB2 0.09 0.09 0.04 -0.04 1.64 1.83 2cv6A1 LEU 344 HB3 0.06 -0.03 -0.14 -0.04 1.64 1.49 2cv6A1 LEU 344 HG 0.21 -0.00 -0.47 -0.04 1.64 1.35 2cv6A1 LEU 344 HD13 0.02 0.02 -0.37 -0.04 0.93 0.57 2cv6A1 LEU 344 HD23 0.10 -0.02 -0.01 -0.04 0.89 0.92 2cv6A1 ASN 345 H 0.11 0.50 0.34 -0.55 8.53 8.94 2cv6A1 ASN 345 HA 0.02 0.26 0.89 -0.75 4.76 5.18 2cv6A1 ASN 345 HB2 -0.00 0.03 -0.02 -0.04 2.88 2.85 2cv6A1 ASN 345 HB3 0.04 -0.06 0.11 -0.04 2.79 2.84 2cv6A1 ASN 345 HD21 -0.38 -0.01 -0.18 -0.04 7.03 6.41 2cv6A1 ASN 345 HD22 -0.19 0.01 -0.26 -0.04 7.74 7.26 2cv6A1 PHE 346 H -0.21 0.60 0.30 -0.55 8.34 8.47 2cv6A1 PHE 346 HA 0.06 0.00 1.06 -0.75 4.62 4.98 2cv6A1 PHE 346 HB2 0.06 0.19 -0.04 -0.04 3.15 3.33 2cv6A1 PHE 346 HB3 0.04 -0.07 -0.20 -0.04 3.06 2.78 2cv6A1 PHE 346 HD2 -0.01 0.04 -0.26 -0.04 7.28 7.01 2cv6A1 PHE 346 HE2 -0.05 -0.00 -0.22 -0.04 7.38 7.07 2cv6A1 PHE 346 HZ -0.15 0.00 -0.18 -0.04 7.32 6.95 2cv6A1 PHE 347 H 0.32 0.44 0.34 -0.55 8.34 8.88 2cv6A1 PHE 347 HA -0.15 0.28 1.04 -0.75 4.62 5.03 2cv6A1 PHE 347 HB2 0.02 -0.02 0.13 -0.04 3.15 3.24 2cv6A1 PHE 347 HB3 -0.18 0.02 -0.03 -0.04 3.06 2.84 2cv6A1 PHE 347 HD2 -0.10 -0.01 -0.03 -0.04 7.28 7.10 2cv6A1 PHE 347 HE2 -0.07 0.04 -0.06 -0.04 7.38 7.25 2cv6A1 PHE 347 HZ -0.07 -0.03 -0.01 -0.04 7.32 7.16 2cv6A1 ALA 348 H 0.02 0.60 0.38 -0.55 8.40 8.84 2cv6A1 ALA 348 HA 0.21 0.25 0.88 -0.75 4.34 4.93 2cv6A1 ALA 348 HB3 0.20 -0.01 -0.20 -0.04 1.41 1.36 2cv6A1 PHE 349 H 0.36 0.64 0.26 -0.55 8.34 9.05 2cv6A1 PHE 349 HA 0.08 0.24 0.92 -0.75 4.62 5.10 2cv6A1 PHE 349 HB2 -0.06 -0.05 0.12 -0.04 3.15 3.11 2cv6A1 PHE 349 HB3 -0.08 0.03 -0.00 -0.04 3.06 2.96 2cv6A1 PHE 349 HD2 0.05 0.16 -0.00 -0.04 7.28 7.45 2cv6A1 PHE 349 HE2 0.05 0.00 -0.14 -0.04 7.38 7.25 2cv6A1 PHE 349 HZ -0.01 -0.03 -0.21 -0.04 7.32 7.03 2cv6A1 GLY 350 H -0.28 0.55 0.24 -0.55 8.43 8.40 2cv6A1 GLY 350 HA2 -0.54 0.28 0.89 -0.51 4.01 4.13 2cv6A1 GLY 350 HA3 -2.20 -0.07 0.25 -0.51 4.01 1.47 2cv6A1 ILE 351 H -0.26 0.85 0.28 -0.55 8.25 8.56 2cv6A1 ILE 351 HA -0.21 0.15 0.80 -0.75 4.18 4.16 2cv6A1 ILE 351 HB -0.24 0.04 0.14 -0.04 1.89 1.79 2cv6A1 ILE 351 HG12 -0.78 0.02 -0.03 -0.04 1.49 0.65 2cv6A1 ILE 351 HG13 -0.71 0.06 0.01 -0.04 1.21 0.53 2cv6A1 ILE 351 HG23 -0.10 0.01 -0.10 -0.04 0.93 0.70 2cv6A1 ILE 351 HD13 -0.33 -0.02 -0.26 -0.04 0.88 0.22 2cv6A1 ASN 352 H -0.05 0.35 0.29 -0.55 8.53 8.57 2cv6A1 ASN 352 HA -0.00 0.05 0.38 -0.75 4.76 4.43 2cv6A1 ASN 352 HB2 -0.01 -0.04 -0.05 -0.04 2.88 2.74 2cv6A1 ASN 352 HB3 -0.03 0.16 0.20 -0.04 2.79 3.08 2cv6A1 ASN 352 HD21 0.02 -0.07 0.04 -0.04 7.03 6.97 2cv6A1 ASN 352 HD22 0.00 0.18 0.14 -0.04 7.74 8.02 2cv6A1 ALA 353 H -0.03 0.40 -0.10 -0.55 8.40 8.12 2cv6A1 ALA 353 HA 0.06 0.13 0.40 -0.75 4.34 4.17 2cv6A1 ALA 353 HB3 0.04 -0.00 -0.21 -0.04 1.41 1.20 2cv6A1 GLU 354 H 0.05 0.12 -0.13 -0.55 8.60 8.10 2cv6A1 GLU 354 HA 0.08 -0.13 0.30 -0.75 4.29 3.79 2cv6A1 GLU 354 HB2 0.04 0.01 0.07 -0.04 2.09 2.16 2cv6A1 GLU 354 HB3 0.04 0.06 0.01 -0.04 1.99 2.06 2cv6A1 GLU 354 HG2 0.03 0.05 -0.25 -0.04 2.34 2.13 2cv6A1 GLU 354 HG3 0.04 -0.09 -0.03 -0.04 2.34 2.21 2cv6A1 ASN 355 H 0.06 0.02 0.16 -0.55 8.53 8.23 2cv6A1 ASN 355 HA 0.04 -0.01 0.32 -0.75 4.76 4.36 2cv6A1 ASN 355 HB2 0.04 0.28 -0.02 -0.04 2.88 3.14 2cv6A1 ASN 355 HB3 0.04 -0.02 0.18 -0.04 2.79 2.94 2cv6A1 ASN 355 HD21 0.02 -0.02 -0.07 -0.04 7.03 6.92 2cv6A1 ASN 355 HD22 0.03 0.05 -0.10 -0.04 7.74 7.68 2cv6A1 ASN 356 H 0.12 0.26 -0.07 -0.55 8.53 8.30 2cv6A1 ASN 356 HA 0.10 0.03 0.57 -0.75 4.76 4.70 2cv6A1 ASN 356 HB2 0.17 0.17 0.07 -0.04 2.88 3.24 2cv6A1 ASN 356 HB3 0.26 -0.02 0.07 -0.04 2.79 3.06 2cv6A1 ASN 356 HD21 0.27 0.01 -0.18 -0.04 7.03 7.09 2cv6A1 ASN 356 HD22 0.29 0.01 -0.28 -0.04 7.74 7.71 2cv6A1 GLN 357 H 0.08 -0.00 0.30 -0.55 8.47 8.30 2cv6A1 GLN 357 HA 0.04 0.23 1.02 -0.75 4.36 4.89 2cv6A1 GLN 357 HB2 0.02 -0.02 0.07 -0.04 2.15 2.17 2cv6A1 GLN 357 HB3 -0.01 0.05 -0.03 -0.04 2.02 1.99 2cv6A1 GLN 357 HG2 0.03 0.12 -0.38 -0.04 2.40 2.12 2cv6A1 GLN 357 HG3 0.04 0.11 -0.18 -0.04 2.39 2.32 2cv6A1 GLN 357 HE21 0.01 -0.02 -0.04 -0.04 6.97 6.88 2cv6A1 GLN 357 HE22 0.02 0.06 -0.04 -0.04 7.69 7.69 2cv6A1 ARG 358 H 0.02 0.19 0.13 -0.55 8.46 8.25 2cv6A1 ARG 358 HA -0.03 0.26 0.88 -0.75 4.34 4.69 2cv6A1 ARG 358 HB2 0.14 0.02 0.07 -0.04 1.90 2.08 2cv6A1 ARG 358 HB3 0.08 0.04 -0.05 -0.04 1.80 1.82 2cv6A1 ARG 358 HG2 0.08 -0.05 -0.16 -0.04 1.67 1.49 2cv6A1 ARG 358 HG3 0.03 0.00 0.08 -0.04 1.67 1.74 2cv6A1 ARG 358 HD2 -0.07 0.01 -0.07 -0.04 3.22 3.04 2cv6A1 ARG 358 HD3 0.12 0.02 -0.13 -0.04 3.22 3.19 2cv6A1 ASN 359 H -0.40 0.79 0.32 -0.55 8.53 8.70 2cv6A1 ASN 359 HA -0.16 0.16 0.96 -0.75 4.76 4.96 2cv6A1 ASN 359 HB2 -1.64 0.04 0.18 -0.04 2.88 1.42 2cv6A1 ASN 359 HB3 -0.46 -0.03 -0.01 -0.04 2.79 2.24 2cv6A1 ASN 359 HD21 -0.14 -0.05 -0.26 -0.04 7.03 6.54 2cv6A1 ASN 359 HD22 -0.30 -0.08 -0.47 -0.04 7.74 6.85 2cv6A1 PHE 360 H 0.12 0.76 0.42 -0.55 8.34 9.08 2cv6A1 PHE 360 HA 0.01 0.16 0.89 -0.75 4.62 4.93 2cv6A1 PHE 360 HB2 -0.15 0.35 0.06 -0.04 3.15 3.37 2cv6A1 PHE 360 HB3 -0.12 0.08 0.04 -0.04 3.06 3.01 2cv6A1 PHE 360 HD2 -0.21 0.09 -0.03 -0.04 7.28 7.09 2cv6A1 PHE 360 HE2 -0.51 -0.02 -0.09 -0.04 7.38 6.72 2cv6A1 PHE 360 HZ -0.74 -0.06 -0.12 -0.04 7.32 6.36 2cv6A1 LEU 361 H 0.09 0.84 0.28 -0.55 8.37 9.04 2cv6A1 LEU 361 HA 0.07 -0.02 0.70 -0.75 4.35 4.34 2cv6A1 LEU 361 HB2 0.07 0.02 -0.01 -0.04 1.64 1.69 2cv6A1 LEU 361 HB3 0.08 -0.05 0.11 -0.04 1.64 1.74 2cv6A1 LEU 361 HG 0.09 0.09 -0.18 -0.04 1.64 1.60 2cv6A1 LEU 361 HD13 0.10 -0.01 -0.12 -0.04 0.93 0.86 2cv6A1 LEU 361 HD23 0.19 -0.01 -0.18 -0.04 0.89 0.85 2cv6A1 ALA 362 H 0.11 0.27 -0.21 -0.55 8.40 8.03 2cv6A1 ALA 362 HA 0.01 0.14 0.52 -0.75 4.34 4.26 2cv6A1 ALA 362 HB3 0.03 -0.01 -0.05 -0.04 1.41 1.34 2cv6A1 GLY 363 H -0.03 0.15 0.10 -0.55 8.43 8.10 2cv6A1 GLY 363 HA2 -0.07 0.17 0.32 -0.51 4.01 3.92 2cv6A1 GLY 363 HA3 -0.11 -0.05 0.53 -0.51 4.01 3.86 2cv6A1 GLU 364 H -0.12 0.39 0.16 -0.55 8.60 8.48 2cv6A1 GLU 364 HA -0.07 0.15 0.57 -0.75 4.29 4.19 2cv6A1 GLU 364 HB2 -0.08 0.16 0.02 -0.04 2.09 2.16 2cv6A1 GLU 364 HB3 -0.10 -0.15 0.09 -0.04 1.99 1.78 2cv6A1 GLU 364 HG2 -0.06 -0.06 -0.02 -0.04 2.34 2.16 2cv6A1 GLU 364 HG3 -0.06 -0.03 -0.01 -0.04 2.34 2.20 2cv6A1 LYS 365 H -0.20 0.02 0.07 -0.55 8.42 7.75 2cv6A1 LYS 365 HA -0.12 0.06 0.47 -0.75 4.32 3.97 2cv6A1 LYS 365 HB2 -0.17 0.01 0.10 -0.04 1.87 1.76 2cv6A1 LYS 365 HB3 -0.38 -0.05 0.08 -0.04 1.79 1.39 2cv6A1 LYS 365 HG2 -0.16 0.06 -0.23 -0.04 1.46 1.09 2cv6A1 LYS 365 HG3 -0.09 -0.01 0.04 -0.04 1.46 1.36 2cv6A1 LYS 365 HD2 -0.05 0.00 0.02 -0.04 1.69 1.62 2cv6A1 LYS 365 HD3 -0.15 -0.04 -0.05 -0.04 1.68 1.40 2cv6A1 LYS 365 HE2 0.16 -0.02 -0.04 -0.04 2.99 3.05 2cv6A1 LYS 365 HE3 -0.01 -0.01 0.01 -0.04 2.99 2.94 2cv6A1 ASP 366 H -0.08 0.12 0.17 -0.55 8.40 8.05 2cv6A1 ASP 366 HA -0.02 0.01 0.33 -0.75 4.63 4.19 2cv6A1 ASP 366 HB2 -0.06 0.11 0.02 -0.04 2.71 2.75 2cv6A1 ASP 366 HB3 0.11 0.16 0.31 -0.04 2.70 3.24 2cv6A1 ASN 367 H -0.03 0.20 -0.25 -0.55 8.53 7.91 2cv6A1 ASN 367 HA 0.06 0.51 0.89 -0.75 4.76 5.46 2cv6A1 ASN 367 HB2 -0.02 0.16 -0.48 -0.04 2.88 2.49 2cv6A1 ASN 367 HB3 -0.02 0.03 0.00 -0.04 2.79 2.76 2cv6A1 ASN 367 HD21 0.01 -0.00 -0.46 -0.04 7.03 6.54 2cv6A1 ASN 367 HD22 0.00 0.00 -0.77 -0.04 7.74 6.93 2cv6A1 VAL 368 H 0.01 0.28 0.02 -0.55 8.24 8.00 2cv6A1 VAL 368 HA 0.01 0.02 0.23 -0.75 4.13 3.63 2cv6A1 VAL 368 HB 0.04 0.00 -0.09 -0.04 2.12 2.03 2cv6A1 VAL 368 HG13 -0.05 0.01 -0.01 -0.04 0.97 0.88 2cv6A1 VAL 368 HG23 0.05 0.05 -0.10 -0.04 0.95 0.91 2cv6A1 ILE 369 H 0.05 0.21 -0.26 -0.55 8.25 7.70 2cv6A1 ILE 369 HA 0.08 0.01 0.32 -0.75 4.18 3.84 2cv6A1 ILE 369 HB 0.03 0.02 -0.07 -0.04 1.89 1.83 2cv6A1 ILE 369 HG12 0.08 -0.08 0.04 -0.04 1.49 1.50 2cv6A1 ILE 369 HG13 0.05 0.28 0.07 -0.04 1.21 1.58 2cv6A1 ILE 369 HG23 0.02 0.00 -0.22 -0.04 0.93 0.70 2cv6A1 ILE 369 HD13 0.13 -0.01 0.01 -0.04 0.88 0.96 2cv6A1 SER 370 H 0.01 0.34 -0.35 -0.55 8.46 7.92 2cv6A1 SER 370 HA 0.01 0.06 0.47 -0.75 4.49 4.27 2cv6A1 SER 370 HB2 -0.01 -0.07 0.12 -0.04 3.95 3.95 2cv6A1 SER 370 HB3 -0.01 -0.02 0.00 -0.04 3.93 3.86 2cv6A1 GLU 371 H 0.02 0.68 -0.42 -0.55 8.60 8.34 2cv6A1 GLU 371 HA 0.01 0.14 0.87 -0.75 4.29 4.55 2cv6A1 GLU 371 HB2 0.01 0.14 0.06 -0.04 2.09 2.26 2cv6A1 GLU 371 HB3 0.01 -0.08 0.06 -0.04 1.99 1.94 2cv6A1 GLU 371 HG2 -0.00 0.06 -0.28 -0.04 2.34 2.08 2cv6A1 GLU 371 HG3 -0.00 -0.08 -0.09 -0.04 2.34 2.13 2cv6A1 ILE 372 H 0.03 0.33 -0.02 -0.55 8.25 8.05 2cv6A1 ILE 372 HA 0.02 0.07 0.52 -0.75 4.18 4.03 2cv6A1 ILE 372 HB 0.06 0.08 0.16 -0.04 1.89 2.16 2cv6A1 ILE 372 HG12 0.03 -0.04 -0.01 -0.04 1.49 1.43 2cv6A1 ILE 372 HG13 0.05 0.15 0.08 -0.04 1.21 1.46 2cv6A1 ILE 372 HG23 0.04 -0.02 -0.09 -0.04 0.93 0.82 2cv6A1 ILE 372 HD13 0.07 -0.02 -0.01 -0.04 0.88 0.89 2cv6A1 PRO 373 HA 0.01 0.08 0.48 -0.51 4.44 4.51 2cv6A1 PRO 373 HB2 0.01 -0.10 0.01 -0.04 2.28 2.16 2cv6A1 PRO 373 HB3 0.01 0.10 0.10 -0.04 2.02 2.19 2cv6A1 PRO 373 HG2 0.01 -0.08 0.10 -0.04 2.03 2.02 2cv6A1 PRO 373 HG3 0.01 0.08 0.08 -0.04 2.03 2.16 2cv6A1 PRO 373 HD2 0.01 0.07 0.26 -0.04 3.68 3.98 2cv6A1 PRO 373 HD3 0.01 0.30 0.24 -0.04 3.65 4.16 2cv6A1 THR 374 H 0.01 0.20 0.16 -0.55 8.28 8.11 2cv6A1 THR 374 HA 0.03 0.12 0.35 -0.75 4.39 4.13 2cv6A1 THR 374 HB 0.01 -0.06 0.14 -0.04 4.32 4.37 2cv6A1 THR 374 HG23 0.02 -0.01 -0.17 -0.04 1.22 1.01 2cv6A1 GLU 375 H 0.01 0.13 -0.09 -0.55 8.60 8.11 2cv6A1 GLU 375 HA 0.02 0.01 0.33 -0.75 4.29 3.89 2cv6A1 GLU 375 HB2 0.01 0.07 -0.07 -0.04 2.09 2.06 2cv6A1 GLU 375 HB3 0.01 0.04 0.10 -0.04 1.99 2.10 2cv6A1 GLU 375 HG2 0.01 0.06 0.03 -0.04 2.34 2.39 2cv6A1 GLU 375 HG3 0.01 -0.04 0.07 -0.04 2.34 2.34 2cv6A1 VAL 376 H 0.02 0.56 -0.63 -0.55 8.24 7.64 2cv6A1 VAL 376 HA 0.00 0.15 0.83 -0.75 4.13 4.36 2cv6A1 VAL 376 HB 0.02 0.15 0.10 -0.04 2.12 2.35 2cv6A1 VAL 376 HG13 -0.01 -0.00 -0.09 -0.04 0.97 0.82 2cv6A1 VAL 376 HG23 0.00 -0.03 -0.04 -0.04 0.95 0.85 2cv6A1 LEU 377 H 0.06 0.35 0.07 -0.55 8.37 8.30 2cv6A1 LEU 377 HA 0.10 0.05 0.45 -0.75 4.35 4.20 2cv6A1 LEU 377 HB2 0.30 -0.04 0.05 -0.04 1.64 1.92 2cv6A1 LEU 377 HB3 0.24 0.06 0.06 -0.04 1.64 1.96 2cv6A1 LEU 377 HG 0.07 -0.09 0.00 -0.04 1.64 1.59 2cv6A1 LEU 377 HD13 0.05 0.00 -0.06 -0.04 0.93 0.88 2cv6A1 LEU 377 HD23 0.06 0.05 -0.37 -0.04 0.89 0.58 2cv6A1 ASP 378 H 0.05 0.38 -0.55 -0.55 8.40 7.74 2cv6A1 ASP 378 HA 0.07 0.03 0.40 -0.75 4.63 4.39 2cv6A1 ASP 378 HB2 0.03 -0.21 0.02 -0.04 2.71 2.51 2cv6A1 ASP 378 HB3 0.03 0.14 -0.02 -0.04 2.70 2.80 2cv6A1 VAL 379 H 0.02 0.22 -0.23 -0.55 8.24 7.69 2cv6A1 VAL 379 HA 0.00 0.12 0.58 -0.75 4.13 4.08 2cv6A1 VAL 379 HB -0.02 0.08 0.09 -0.04 2.12 2.23 2cv6A1 VAL 379 HG13 -0.02 -0.02 0.03 -0.04 0.97 0.92 2cv6A1 VAL 379 HG23 0.00 0.01 0.08 -0.04 0.95 1.00 2cv6A1 THR 380 H -0.03 0.20 -0.10 -0.55 8.28 7.81 2cv6A1 THR 380 HA -0.20 0.02 0.44 -0.75 4.39 3.90 2cv6A1 THR 380 HB -0.19 -0.07 0.16 -0.04 4.32 4.18 2cv6A1 THR 380 HG23 -0.95 -0.01 -0.15 -0.04 1.22 0.06 2cv6A1 PHE 381 H 0.11 0.43 -0.12 -0.55 8.34 8.21 2cv6A1 PHE 381 HA -0.01 0.15 0.77 -0.75 4.62 4.78 2cv6A1 PHE 381 HB2 -0.00 0.07 -0.03 -0.04 3.15 3.14 2cv6A1 PHE 381 HB3 -0.00 -0.10 0.03 -0.04 3.06 2.94 2cv6A1 PHE 381 HD2 -0.01 0.09 0.03 -0.04 7.28 7.36 2cv6A1 PHE 381 HE2 -0.01 -0.01 -0.03 -0.04 7.38 7.29 2cv6A1 PHE 381 HZ -0.01 0.01 -0.04 -0.04 7.32 7.24 2cv6A1 PRO 382 HA 0.04 0.11 0.41 -0.51 4.44 4.49 2cv6A1 PRO 382 HB2 0.04 -0.03 0.02 -0.04 2.28 2.27 2cv6A1 PRO 382 HB3 0.04 0.03 0.11 -0.04 2.02 2.15 2cv6A1 PRO 382 HG2 0.08 -0.15 0.13 -0.04 2.03 2.04 2cv6A1 PRO 382 HG3 0.06 0.04 0.09 -0.04 2.03 2.18 2cv6A1 PRO 382 HD2 0.23 0.05 0.20 -0.04 3.68 4.13 2cv6A1 PRO 382 HD3 0.08 0.17 0.17 -0.04 3.65 4.03 2cv6A1 ALA 383 H 0.08 0.00 -0.10 -0.55 8.40 7.83 2cv6A1 ALA 383 HA 0.03 -0.01 0.29 -0.75 4.34 3.89 2cv6A1 ALA 383 HB3 0.01 -0.03 0.04 -0.04 1.41 1.39 2cv6A1 SER 384 H 0.02 0.01 0.16 -0.55 8.46 8.10 2cv6A1 SER 384 HA 0.03 0.31 0.66 -0.75 4.49 4.73 2cv6A1 SER 384 HB2 0.01 -0.08 0.12 -0.04 3.95 3.96 2cv6A1 SER 384 HB3 0.01 0.13 0.14 -0.04 3.93 4.17 2cv6A1 GLY 385 H 0.03 0.21 0.15 -0.55 8.43 8.28 2cv6A1 GLY 385 HA2 0.04 0.17 0.19 -0.51 4.01 3.91 2cv6A1 GLY 385 HA3 0.03 0.04 0.24 -0.51 4.01 3.82 2cv6A1 GLU 386 H 0.01 0.08 -0.22 -0.55 8.60 7.93 2cv6A1 GLU 386 HA -0.00 0.10 0.38 -0.75 4.29 4.02 2cv6A1 GLU 386 HB2 0.00 -0.02 0.02 -0.04 2.09 2.05 2cv6A1 GLU 386 HB3 -0.00 0.07 0.00 -0.04 1.99 2.02 2cv6A1 GLU 386 HG2 0.00 -0.06 0.03 -0.04 2.34 2.27 2cv6A1 GLU 386 HG3 0.00 0.06 0.01 -0.04 2.34 2.37 2cv6A1 LYS 387 H -0.00 0.09 -0.37 -0.55 8.42 7.59 2cv6A1 LYS 387 HA -0.02 0.08 0.45 -0.75 4.32 4.08 2cv6A1 LYS 387 HB2 -0.01 0.05 0.14 -0.04 1.87 2.01 2cv6A1 LYS 387 HB3 -0.02 0.04 -0.05 -0.04 1.79 1.73 2cv6A1 LYS 387 HG2 -0.01 0.05 -0.00 -0.04 1.46 1.46 2cv6A1 LYS 387 HG3 -0.00 -0.08 -0.00 -0.04 1.46 1.34 2cv6A1 LYS 387 HD2 0.00 -0.11 0.07 -0.04 1.69 1.61 2cv6A1 LYS 387 HD3 -0.01 0.05 0.01 -0.04 1.68 1.69 2cv6A1 LYS 387 HE2 -0.00 0.03 -0.01 -0.04 2.99 2.97 2cv6A1 LYS 387 HE3 -0.00 -0.02 0.00 -0.04 2.99 2.93 2cv6A1 VAL 388 H -0.02 0.61 -0.10 -0.55 8.24 8.18 2cv6A1 VAL 388 HA -0.14 0.02 0.30 -0.75 4.13 3.56 2cv6A1 VAL 388 HB -0.02 -0.01 0.00 -0.04 2.12 2.05 2cv6A1 VAL 388 HG13 -0.29 0.01 -0.20 -0.04 0.97 0.45 2cv6A1 VAL 388 HG23 -0.08 0.02 -0.13 -0.04 0.95 0.73 2cv6A1 GLN 389 H -0.03 0.62 -0.12 -0.55 8.47 8.40 2cv6A1 GLN 389 HA -0.04 0.03 0.30 -0.75 4.36 3.90 2cv6A1 GLN 389 HB2 -0.01 0.02 0.11 -0.04 2.15 2.24 2cv6A1 GLN 389 HB3 -0.01 -0.00 0.13 -0.04 2.02 2.09 2cv6A1 GLN 389 HG2 -0.01 0.04 0.01 -0.04 2.40 2.40 2cv6A1 GLN 389 HG3 -0.01 -0.06 -0.02 -0.04 2.39 2.26 2cv6A1 GLN 389 HE21 -0.02 -0.00 -0.22 -0.04 6.97 6.68 2cv6A1 GLN 389 HE22 -0.01 -0.03 -0.11 -0.04 7.69 7.50 2cv6A1 LYS 390 H -0.03 0.54 -0.21 -0.55 8.42 8.17 2cv6A1 LYS 390 HA -0.02 -0.05 0.29 -0.75 4.32 3.79 2cv6A1 LYS 390 HB2 -0.02 0.30 0.25 -0.04 1.87 2.35 2cv6A1 LYS 390 HB3 -0.03 0.06 0.11 -0.04 1.79 1.89 2cv6A1 LYS 390 HG2 -0.02 -0.01 -0.07 -0.04 1.46 1.31 2cv6A1 LYS 390 HG3 -0.02 -0.04 0.03 -0.04 1.46 1.39 2cv6A1 LYS 390 HD2 -0.01 -0.01 -0.04 -0.04 1.69 1.59 2cv6A1 LYS 390 HD3 -0.01 -0.03 -0.03 -0.04 1.68 1.57 2cv6A1 LYS 390 HE2 -0.01 -0.00 -0.02 -0.04 2.99 2.92 2cv6A1 LYS 390 HE3 -0.01 -0.04 -0.03 -0.04 2.99 2.87 2cv6A1 LEU 391 H -0.05 0.62 -0.26 -0.55 8.37 8.13 2cv6A1 LEU 391 HA -0.04 -0.08 0.38 -0.75 4.35 3.86 2cv6A1 LEU 391 HB2 -0.06 -0.04 0.11 -0.04 1.64 1.60 2cv6A1 LEU 391 HB3 -0.10 0.24 0.20 -0.04 1.64 1.93 2cv6A1 LEU 391 HG -0.08 -0.06 -0.01 -0.04 1.64 1.44 2cv6A1 LEU 391 HD13 -0.10 -0.00 -0.20 -0.04 0.93 0.59 2cv6A1 LEU 391 HD23 -0.04 -0.03 0.04 -0.04 0.89 0.82 2cv6A1 ILE 392 H -0.07 0.59 -0.04 -0.55 8.25 8.18 2cv6A1 ILE 392 HA -0.06 -0.05 0.40 -0.75 4.18 3.73 2cv6A1 ILE 392 HB -0.04 0.07 0.19 -0.04 1.89 2.07 2cv6A1 ILE 392 HG12 -0.11 0.31 -0.08 -0.04 1.49 1.56 2cv6A1 ILE 392 HG13 -0.07 -0.07 -0.14 -0.04 1.21 0.90 2cv6A1 ILE 392 HG23 -0.03 -0.02 -0.16 -0.04 0.93 0.69 2cv6A1 ILE 392 HD13 -0.13 -0.03 -0.06 -0.04 0.88 0.62 2cv6A1 LYS 393 H -0.03 0.57 -0.03 -0.55 8.42 8.37 2cv6A1 LYS 393 HA -0.03 0.04 0.21 -0.75 4.32 3.79 2cv6A1 LYS 393 HB2 -0.02 -0.05 0.02 -0.04 1.87 1.78 2cv6A1 LYS 393 HB3 -0.02 0.04 -0.03 -0.04 1.79 1.73 2cv6A1 LYS 393 HG2 -0.02 0.02 0.07 -0.04 1.46 1.48 2cv6A1 LYS 393 HG3 -0.02 -0.01 0.03 -0.04 1.46 1.41 2cv6A1 LYS 393 HD2 -0.02 -0.03 -0.03 -0.04 1.69 1.57 2cv6A1 LYS 393 HD3 -0.02 -0.02 -0.03 -0.04 1.68 1.57 2cv6A1 LYS 393 HE2 -0.02 0.01 -0.01 -0.04 2.99 2.93 2cv6A1 LYS 393 HE3 -0.02 -0.05 -0.01 -0.04 2.99 2.87 2cv6A1 LYS 394 H -0.03 0.34 -0.84 -0.55 8.42 7.34 2cv6A1 LYS 394 HA -0.02 -0.04 0.34 -0.75 4.32 3.85 2cv6A1 LYS 394 HB2 -0.03 0.13 0.15 -0.04 1.87 2.08 2cv6A1 LYS 394 HB3 -0.03 -0.09 0.20 -0.04 1.79 1.84 2cv6A1 LYS 394 HG2 -0.02 -0.08 -0.13 -0.04 1.46 1.19 2cv6A1 LYS 394 HG3 -0.02 -0.04 0.01 -0.04 1.46 1.37 2cv6A1 LYS 394 HD2 -0.02 -0.02 0.01 -0.04 1.69 1.62 2cv6A1 LYS 394 HD3 -0.02 -0.07 -0.01 -0.04 1.68 1.54 2cv6A1 LYS 394 HE2 -0.03 0.16 0.07 -0.04 2.99 3.15 2cv6A1 LYS 394 HE3 -0.02 -0.06 0.01 -0.04 2.99 2.87 2cv6A1 GLN 395 H -0.03 0.21 0.06 -0.55 8.47 8.17 2cv6A1 GLN 395 HA -0.02 -0.08 0.45 -0.75 4.36 3.95 2cv6A1 GLN 395 HB2 -0.02 0.11 0.21 -0.04 2.15 2.41 2cv6A1 GLN 395 HB3 -0.03 -0.05 0.11 -0.04 2.02 2.01 2cv6A1 GLN 395 HG2 -0.01 0.01 0.06 -0.04 2.40 2.41 2cv6A1 GLN 395 HG3 -0.01 0.03 0.02 -0.04 2.39 2.39 2cv6A1 GLN 395 HE21 -0.00 -0.09 -0.06 -0.04 6.97 6.78 2cv6A1 GLN 395 HE22 -0.00 0.07 -0.06 -0.04 7.69 7.66 2cv6A1 SER 396 H -0.03 0.08 0.32 -0.55 8.46 8.28 2cv6A1 SER 396 HA -0.04 0.22 0.56 -0.75 4.49 4.48 2cv6A1 SER 396 HB2 -0.02 0.15 0.18 -0.04 3.95 4.22 2cv6A1 SER 396 HB3 -0.02 -0.10 0.13 -0.04 3.93 3.89 2cv6A1 GLU 397 H -0.04 -0.03 -0.32 -0.55 8.60 7.66 2cv6A1 GLU 397 HA -0.05 0.16 0.65 -0.75 4.29 4.30 2cv6A1 GLU 397 HB2 -0.03 -0.02 -0.03 -0.04 2.09 1.96 2cv6A1 GLU 397 HB3 -0.03 0.04 0.04 -0.04 1.99 2.00 2cv6A1 GLU 397 HG2 -0.02 -0.06 0.00 -0.04 2.34 2.23 2cv6A1 GLU 397 HG3 -0.01 -0.03 0.04 -0.04 2.34 2.31 2cv6A1 SER 398 H -0.09 0.26 0.12 -0.55 8.46 8.21 2cv6A1 SER 398 HA -0.25 0.14 0.80 -0.75 4.49 4.42 2cv6A1 SER 398 HB2 -0.18 0.04 0.10 -0.04 3.95 3.86 2cv6A1 SER 398 HB3 -0.39 0.08 0.04 -0.04 3.93 3.61 2cv6A1 GLN 399 H -0.56 0.27 0.04 -0.55 8.47 7.68 2cv6A1 GLN 399 HA -0.52 0.08 0.38 -0.75 4.36 3.54 2cv6A1 GLN 399 HB2 -1.35 0.03 -0.05 -0.04 2.15 0.74 2cv6A1 GLN 399 HB3 -1.34 0.06 -0.01 -0.04 2.02 0.69 2cv6A1 GLN 399 HG2 -0.55 0.12 -1.03 -0.04 2.40 0.90 2cv6A1 GLN 399 HG3 -0.78 -0.03 -0.14 -0.04 2.39 1.40 2cv6A1 GLN 399 HE21 -2.13 0.16 -0.08 -0.04 6.97 4.87 2cv6A1 GLN 399 HE22 -2.90 0.01 -0.05 -0.04 7.69 4.71 2cv6A1 PHE 400 H -0.20 0.56 0.51 -0.55 8.34 8.66 2cv6A1 PHE 400 HA 0.03 0.34 0.89 -0.75 4.62 5.12 2cv6A1 PHE 400 HB2 -0.01 -0.07 0.16 -0.04 3.15 3.19 2cv6A1 PHE 400 HB3 0.02 -0.01 -0.12 -0.04 3.06 2.92 2cv6A1 PHE 400 HD2 0.06 0.02 -0.18 -0.04 7.28 7.14 2cv6A1 PHE 400 HE2 0.20 -0.03 -0.36 -0.04 7.38 7.16 2cv6A1 PHE 400 HZ 0.45 -0.02 -0.41 -0.04 7.32 7.30 2cv6A1 VAL 401 H 0.10 0.65 0.24 -0.55 8.24 8.69 2cv6A1 VAL 401 HA 0.05 0.13 0.91 -0.75 4.13 4.46 2cv6A1 VAL 401 HB -0.00 -0.05 -0.25 -0.04 2.12 1.78 2cv6A1 VAL 401 HG13 0.03 0.09 -0.14 -0.04 0.97 0.91 2cv6A1 VAL 401 HG23 0.01 -0.17 0.07 -0.04 0.95 0.81 2cv6A1 ASP 402 H 0.02 0.03 0.08 -0.55 8.40 7.98 2cv6A1 ASP 402 HA 0.03 0.17 0.48 -0.75 4.63 4.55 2cv6A1 ASP 402 HB2 0.02 -0.04 0.12 -0.04 2.71 2.77 2cv6A1 ASP 402 HB3 0.01 0.04 0.09 -0.04 2.70 2.80 2cv6A1 ALA 403 H 0.02 0.08 0.05 -0.55 8.40 8.00 2cv6A1 ALA 403 HA 0.02 0.02 0.11 -0.75 4.34 3.74 2cv6A1 ALA 403 HB3 0.03 0.15 -0.05 -0.04 1.41 1.50