============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 11 1.000 19.264 -6.100 28.151 -99.200 -91.000 HIS 21 0.900 18.268 -13.780 30.788 -99.200 -91.000 TYR 47 0.840 13.468 -13.847 12.231 -99.200 -91.000 PHE 49 1.000 18.361 -10.990 9.413 -99.200 -91.000 PHE 53 1.000 28.673 -6.623 12.552 -99.200 -91.000 TYR 63 0.840 35.688 2.443 8.575 -99.200 -91.000 TYR 78 0.840 31.486 -0.667 -9.081 -99.200 -91.000 PHE 83 1.000 17.976 2.542 2.153 -99.200 -91.000 TYR 85 0.840 12.866 -0.949 8.863 -99.200 -91.000 PHE 94 1.000 26.417 3.955 19.359 -99.200 -91.000 TYR 106 0.840 38.718 8.569 23.497 -99.200 -91.000 TRP 108 1.040 37.096 15.640 13.968 -99.200 -91.000 TRP6 108 1.020 36.758 14.256 12.073 -99.200 -91.000 HIS 122 0.900 40.438 10.316 9.990 -99.200 -91.000 PHE 125 1.000 38.902 14.936 2.900 -99.200 -91.000 PHE 135 1.000 41.313 13.633 -1.819 -99.200 -91.000 TYR 145 0.840 8.163 16.193 10.319 -99.200 -91.000 PHE 150 1.000 11.699 20.645 5.795 -99.200 -91.000 PHE 166 1.000 11.038 21.120 -10.128 -99.200 -91.000 HIS 186 0.900 37.695 23.517 -0.066 -99.200 -91.000 TYR 192 0.840 33.115 17.644 15.551 -99.200 -91.000 TYR 212 0.840 13.470 17.196 11.282 -99.200 -91.000 HIS 217 0.900 11.833 8.402 6.045 -99.200 -91.000 PHE 220 1.000 26.869 13.502 5.453 -99.200 -91.000 HIS 225 0.900 33.127 15.013 -9.189 -99.200 -91.000 HIS 274 0.900 3.377 0.580 -10.697 -99.200 -91.000 TYR 277 0.840 11.433 1.887 -7.857 -99.200 -91.000 TYR 318 0.840 10.711 -3.103 6.155 -99.200 -91.000 HIS 320 0.900 15.201 -14.063 6.363 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3k5eA1 ASN 18 HA -0.01 -0.14 0.23 -0.75 4.76 4.09 3k5eA1 ASN 18 HB2 -0.01 -0.05 0.10 -0.04 2.88 2.88 3k5eA1 ASN 18 HB3 -0.00 0.08 0.26 -0.04 2.79 3.09 3k5eA1 ASN 18 HD21 -0.00 0.01 -0.06 -0.04 7.03 6.94 3k5eA1 ASN 18 HD22 0.01 -0.01 -0.16 -0.04 7.74 7.53 3k5eA1 ILE 19 H -0.00 0.55 0.28 -0.55 8.25 8.53 3k5eA1 ILE 19 HA 0.03 0.05 0.84 -0.75 4.18 4.34 3k5eA1 ILE 19 HB 0.00 0.14 0.18 -0.04 1.89 2.17 3k5eA1 ILE 19 HG12 0.04 -0.09 0.09 -0.04 1.49 1.50 3k5eA1 ILE 19 HG13 0.02 0.22 0.04 -0.04 1.21 1.45 3k5eA1 ILE 19 HG23 0.06 -0.03 -0.27 -0.04 0.93 0.64 3k5eA1 ILE 19 HD13 0.04 -0.05 -0.02 -0.04 0.88 0.81 3k5eA1 GLN 20 H 0.04 0.35 0.36 -0.55 8.47 8.68 3k5eA1 GLN 20 HA 0.04 0.11 0.64 -0.75 4.36 4.40 3k5eA1 GLN 20 HB2 0.04 -0.06 0.19 -0.04 2.15 2.28 3k5eA1 GLN 20 HB3 0.04 -0.06 0.03 -0.04 2.02 1.99 3k5eA1 GLN 20 HG2 0.01 0.03 -0.01 -0.04 2.40 2.39 3k5eA1 GLN 20 HG3 0.01 0.20 0.08 -0.04 2.39 2.63 3k5eA1 GLN 20 HE21 -0.00 -0.05 0.01 -0.04 6.97 6.88 3k5eA1 GLN 20 HE22 0.00 0.03 0.01 -0.04 7.69 7.69 3k5eA1 VAL 21 H 0.09 0.20 0.28 -0.55 8.24 8.25 3k5eA1 VAL 21 HA 0.09 0.20 1.06 -0.75 4.13 4.72 3k5eA1 VAL 21 HB 0.24 -0.05 0.15 -0.04 2.12 2.42 3k5eA1 VAL 21 HG13 0.16 0.00 -0.12 -0.04 0.97 0.97 3k5eA1 VAL 21 HG23 0.06 0.07 -0.23 -0.04 0.95 0.81 3k5eA1 VAL 22 H 0.07 0.74 0.43 -0.55 8.24 8.94 3k5eA1 VAL 22 HA 0.05 0.28 1.00 -0.75 4.13 4.70 3k5eA1 VAL 22 HB 0.18 0.00 -0.03 -0.04 2.12 2.24 3k5eA1 VAL 22 HG13 0.12 0.02 -0.26 -0.04 0.97 0.80 3k5eA1 VAL 22 HG23 0.14 0.00 -0.13 -0.04 0.95 0.92 3k5eA1 VAL 23 H -0.08 0.50 0.33 -0.55 8.24 8.44 3k5eA1 VAL 23 HA -0.14 0.32 1.07 -0.75 4.13 4.62 3k5eA1 VAL 23 HB -0.29 -0.05 0.06 -0.04 2.12 1.80 3k5eA1 VAL 23 HG13 -0.14 -0.01 -0.27 -0.04 0.97 0.51 3k5eA1 VAL 23 HG23 -0.94 0.01 -0.16 -0.04 0.95 -0.19 3k5eA1 ARG 24 H -0.02 0.74 0.20 -0.55 8.46 8.83 3k5eA1 ARG 24 HA 0.12 0.26 0.96 -0.75 4.34 4.92 3k5eA1 ARG 24 HB2 0.06 -0.04 -0.16 -0.04 1.90 1.72 3k5eA1 ARG 24 HB3 0.02 -0.07 0.01 -0.04 1.80 1.72 3k5eA1 ARG 24 HG2 0.02 0.15 -0.30 -0.04 1.67 1.50 3k5eA1 ARG 24 HG3 0.05 -0.02 -0.05 -0.04 1.67 1.61 3k5eA1 ARG 24 HD2 -0.03 -0.04 -0.13 -0.04 3.22 2.97 3k5eA1 ARG 24 HD3 0.04 -0.06 -0.14 -0.04 3.22 3.03 3k5eA1 CYS 25 H 0.02 0.60 0.14 -0.55 8.50 8.71 3k5eA1 CYS 25 HA -0.06 0.16 0.87 -0.75 4.58 4.79 3k5eA1 CYS 25 HB2 -0.04 -0.05 -0.07 -0.04 2.97 2.77 3k5eA1 CYS 25 HB3 -0.04 -0.17 -0.02 -0.04 2.97 2.69 3k5eA1 ARG 26 H -0.10 0.54 0.32 -0.55 8.46 8.67 3k5eA1 ARG 26 HA -0.12 0.15 0.73 -0.75 4.34 4.34 3k5eA1 ARG 26 HB2 -0.18 -0.06 0.11 -0.04 1.90 1.72 3k5eA1 ARG 26 HB3 -0.12 0.19 0.17 -0.04 1.80 1.99 3k5eA1 ARG 26 HG2 -0.12 0.01 0.19 -0.04 1.67 1.70 3k5eA1 ARG 26 HG3 -0.18 0.08 -0.09 -0.04 1.67 1.44 3k5eA1 ARG 26 HD2 -0.13 -0.02 -0.02 -0.04 3.22 3.01 3k5eA1 ARG 26 HD3 -0.11 -0.06 -0.04 -0.04 3.22 2.97 3k5eA1 PRO 27 HA -0.16 0.01 0.59 -0.51 4.44 4.38 3k5eA1 PRO 27 HB2 -0.06 0.08 -0.01 -0.04 2.28 2.25 3k5eA1 PRO 27 HB3 -0.03 -0.02 0.15 -0.04 2.02 2.08 3k5eA1 PRO 27 HG2 -0.09 -0.02 0.08 -0.04 2.03 1.96 3k5eA1 PRO 27 HG3 -0.06 0.43 0.20 -0.04 2.03 2.55 3k5eA1 PRO 27 HD2 -0.19 0.00 0.16 -0.04 3.68 3.61 3k5eA1 PRO 27 HD3 -0.14 0.22 0.26 -0.04 3.65 3.95 3k5eA1 PHE 28 H 0.05 0.11 0.14 -0.55 8.34 8.09 3k5eA1 PHE 28 HA -0.03 0.04 0.66 -0.75 4.62 4.53 3k5eA1 PHE 28 HB2 -0.02 0.05 0.11 -0.04 3.15 3.24 3k5eA1 PHE 28 HB3 -0.02 -0.07 -0.02 -0.04 3.06 2.91 3k5eA1 PHE 28 HD2 -0.02 -0.03 -0.01 -0.04 7.28 7.18 3k5eA1 PHE 28 HE2 -0.04 -0.07 -0.16 -0.04 7.38 7.07 3k5eA1 PHE 28 HZ -0.02 0.05 -0.63 -0.04 7.32 6.68 3k5eA1 ASN 29 H 0.13 0.04 0.09 -0.55 8.53 8.24 3k5eA1 ASN 29 HA 0.02 0.28 0.65 -0.75 4.76 4.97 3k5eA1 ASN 29 HB2 0.01 -0.16 0.22 -0.04 2.88 2.91 3k5eA1 ASN 29 HB3 -0.00 0.14 0.08 -0.04 2.79 2.97 3k5eA1 ASN 29 HD21 0.03 0.02 0.02 -0.04 7.03 7.06 3k5eA1 ASN 29 HD22 0.01 0.11 0.04 -0.04 7.74 7.86 3k5eA1 LEU 30 H 0.02 0.18 0.15 -0.55 8.37 8.17 3k5eA1 LEU 30 HA 0.02 0.16 0.55 -0.75 4.35 4.33 3k5eA1 LEU 30 HB2 0.01 0.04 0.17 -0.04 1.64 1.81 3k5eA1 LEU 30 HB3 0.01 -0.02 0.13 -0.04 1.64 1.72 3k5eA1 LEU 30 HG 0.01 -0.01 -0.02 -0.04 1.64 1.58 3k5eA1 LEU 30 HD13 0.01 0.02 0.03 -0.04 0.93 0.95 3k5eA1 LEU 30 HD23 0.01 0.01 -0.00 -0.04 0.89 0.87 3k5eA1 ALA 31 H 0.02 0.09 -0.04 -0.55 8.40 7.92 3k5eA1 ALA 31 HA 0.00 0.13 0.22 -0.75 4.34 3.94 3k5eA1 ALA 31 HB3 0.01 0.03 0.07 -0.04 1.41 1.47 3k5eA1 GLU 32 H 0.02 0.08 -0.62 -0.55 8.60 7.53 3k5eA1 GLU 32 HA -0.03 0.25 0.93 -0.75 4.29 4.68 3k5eA1 GLU 32 HB2 -0.05 0.02 -0.01 -0.04 2.09 2.01 3k5eA1 GLU 32 HB3 0.05 0.03 -0.06 -0.04 1.99 1.97 3k5eA1 GLU 32 HG2 0.11 0.01 -0.05 -0.04 2.34 2.37 3k5eA1 GLU 32 HG3 0.28 0.08 -0.06 -0.04 2.34 2.60 3k5eA1 ARG 33 H -0.01 0.34 -0.03 -0.55 8.46 8.20 3k5eA1 ARG 33 HA -0.16 0.08 0.45 -0.75 4.34 3.96 3k5eA1 ARG 33 HB2 -0.01 0.06 0.17 -0.04 1.90 2.08 3k5eA1 ARG 33 HB3 -0.02 0.02 0.01 -0.04 1.80 1.77 3k5eA1 ARG 33 HG2 0.05 -0.13 -0.00 -0.04 1.67 1.54 3k5eA1 ARG 33 HG3 0.05 0.10 -0.04 -0.04 1.67 1.73 3k5eA1 ARG 33 HD2 0.02 0.01 0.01 -0.04 3.22 3.22 3k5eA1 ARG 33 HD3 -0.01 0.02 0.04 -0.04 3.22 3.23 3k5eA1 LYS 34 H -0.03 0.27 -0.19 -0.55 8.42 7.92 3k5eA1 LYS 34 HA -0.03 0.13 0.54 -0.75 4.32 4.20 3k5eA1 LYS 34 HB2 -0.01 0.02 0.02 -0.04 1.87 1.85 3k5eA1 LYS 34 HB3 -0.01 0.01 0.06 -0.04 1.79 1.81 3k5eA1 LYS 34 HG2 -0.01 0.04 -0.06 -0.04 1.46 1.38 3k5eA1 LYS 34 HG3 -0.02 0.05 -0.15 -0.04 1.46 1.30 3k5eA1 LYS 34 HD2 -0.01 0.01 -0.06 -0.04 1.69 1.59 3k5eA1 LYS 34 HD3 -0.00 -0.03 -0.05 -0.04 1.68 1.55 3k5eA1 LYS 34 HE2 -0.00 -0.11 0.02 -0.04 2.99 2.86 3k5eA1 LYS 34 HE3 -0.01 0.07 0.00 -0.04 2.99 3.01 3k5eA1 ALA 35 H -0.04 0.07 -0.34 -0.55 8.40 7.54 3k5eA1 ALA 35 HA -0.03 0.10 0.57 -0.75 4.34 4.23 3k5eA1 ALA 35 HB3 -0.04 -0.01 0.17 -0.04 1.41 1.50 3k5eA1 SER 36 H -0.07 0.13 -1.18 -0.55 8.46 6.79 3k5eA1 SER 36 HA -0.09 0.15 0.26 -0.75 4.49 4.05 3k5eA1 SER 36 HB2 -0.04 0.07 -0.13 -0.04 3.95 3.81 3k5eA1 SER 36 HB3 -0.04 -0.05 0.14 -0.04 3.93 3.94 3k5eA1 ALA 37 H -0.26 0.45 -0.15 -0.55 8.40 7.89 3k5eA1 ALA 37 HA -0.19 0.02 0.20 -0.75 4.34 3.62 3k5eA1 ALA 37 HB3 -0.71 -0.05 -0.09 -0.04 1.41 0.52 3k5eA1 HIS 38 H -0.00 0.12 0.16 -0.55 8.41 8.14 3k5eA1 HIS 38 HA -0.03 0.12 0.89 -0.75 4.63 4.87 3k5eA1 HIS 38 HB2 -0.04 0.12 0.06 -0.04 3.26 3.36 3k5eA1 HIS 38 HB3 0.01 -0.05 0.13 -0.04 3.20 3.24 3k5eA1 HIS 38 HD2 0.04 0.02 -0.16 -0.04 6.97 6.82 3k5eA1 HIS 38 HE1 0.02 -0.02 0.01 -0.04 7.75 7.71 3k5eA1 SER 39 H -0.02 0.15 0.14 -0.55 8.46 8.18 3k5eA1 SER 39 HA 0.33 0.17 0.37 -0.75 4.49 4.60 3k5eA1 SER 39 HB2 0.18 -0.03 0.14 -0.04 3.95 4.21 3k5eA1 SER 39 HB3 -0.01 0.04 0.17 -0.04 3.93 4.10 3k5eA1 ILE 40 H 0.10 0.54 0.29 -0.55 8.25 8.63 3k5eA1 ILE 40 HA 0.09 0.15 0.82 -0.75 4.18 4.49 3k5eA1 ILE 40 HB 0.06 0.03 0.25 -0.04 1.89 2.19 3k5eA1 ILE 40 HG12 0.06 0.06 -0.33 -0.04 1.49 1.24 3k5eA1 ILE 40 HG13 0.03 -0.01 -0.24 -0.04 1.21 0.96 3k5eA1 ILE 40 HG23 0.09 0.00 0.09 -0.04 0.93 1.06 3k5eA1 ILE 40 HD13 0.04 -0.00 -0.07 -0.04 0.88 0.81 3k5eA1 VAL 41 H 0.01 0.04 -0.27 -0.55 8.24 7.47 3k5eA1 VAL 41 HA 0.03 0.34 0.99 -0.75 4.13 4.74 3k5eA1 VAL 41 HB -0.06 -0.09 0.06 -0.04 2.12 1.99 3k5eA1 VAL 41 HG13 -0.02 -0.01 -0.30 -0.04 0.97 0.60 3k5eA1 VAL 41 HG23 -0.01 0.02 -0.21 -0.04 0.95 0.71 3k5eA1 GLU 42 H 0.03 0.82 0.32 -0.55 8.60 9.22 3k5eA1 GLU 42 HA 0.00 0.11 0.92 -0.75 4.29 4.57 3k5eA1 GLU 42 HB2 0.03 0.02 0.07 -0.04 2.09 2.17 3k5eA1 GLU 42 HB3 0.02 0.01 -0.05 -0.04 1.99 1.93 3k5eA1 GLU 42 HG2 0.01 -0.00 -0.01 -0.04 2.34 2.30 3k5eA1 GLU 42 HG3 0.02 0.01 -0.37 -0.04 2.34 1.95 3k5eA1 CYS 43 H 0.01 0.18 0.13 -0.55 8.50 8.27 3k5eA1 CYS 43 HA 0.03 0.25 0.94 -0.75 4.58 5.04 3k5eA1 CYS 43 HB2 0.00 -0.11 0.10 -0.04 2.97 2.92 3k5eA1 CYS 43 HB3 -0.00 0.02 -0.20 -0.04 2.97 2.75 3k5eA1 ASP 44 H 0.02 0.85 0.16 -0.55 8.40 8.88 3k5eA1 ASP 44 HA -0.00 0.19 0.94 -0.75 4.63 5.00 3k5eA1 ASP 44 HB2 0.01 0.03 -0.15 -0.04 2.71 2.56 3k5eA1 ASP 44 HB3 0.01 0.02 0.11 -0.04 2.70 2.80 3k5eA1 PRO 45 HA -0.10 0.07 0.38 -0.51 4.44 4.29 3k5eA1 PRO 45 HB2 -0.06 -0.01 0.11 -0.04 2.28 2.28 3k5eA1 PRO 45 HB3 -0.17 0.17 0.16 -0.04 2.02 2.14 3k5eA1 PRO 45 HG2 -0.03 0.00 0.08 -0.04 2.03 2.04 3k5eA1 PRO 45 HG3 -0.08 0.06 -0.02 -0.04 2.03 1.96 3k5eA1 PRO 45 HD2 -0.02 0.09 0.17 -0.04 3.68 3.88 3k5eA1 PRO 45 HD3 -0.01 0.24 -0.32 -0.04 3.65 3.51 3k5eA1 VAL 46 H -0.02 0.09 -0.08 -0.55 8.24 7.68 3k5eA1 VAL 46 HA -0.03 0.12 0.42 -0.75 4.13 3.90 3k5eA1 VAL 46 HB -0.01 -0.03 0.11 -0.04 2.12 2.15 3k5eA1 VAL 46 HG13 -0.00 0.00 -0.06 -0.04 0.97 0.86 3k5eA1 VAL 46 HG23 -0.01 0.02 0.02 -0.04 0.95 0.94 3k5eA1 ARG 47 H -0.01 0.03 -0.29 -0.55 8.46 7.63 3k5eA1 ARG 47 HA -0.00 0.19 0.66 -0.75 4.34 4.43 3k5eA1 ARG 47 HB2 0.00 -0.05 0.04 -0.04 1.90 1.86 3k5eA1 ARG 47 HB3 0.00 0.02 0.12 -0.04 1.80 1.90 3k5eA1 ARG 47 HG2 -0.00 0.07 -0.03 -0.04 1.67 1.66 3k5eA1 ARG 47 HG3 -0.00 -0.10 -0.11 -0.04 1.67 1.42 3k5eA1 ARG 47 HD2 -0.00 0.00 -0.04 -0.04 3.22 3.14 3k5eA1 ARG 47 HD3 0.00 -0.04 -0.04 -0.04 3.22 3.10 3k5eA1 LYS 48 H -0.02 0.34 -0.60 -0.55 8.42 7.58 3k5eA1 LYS 48 HA -0.01 -0.10 0.25 -0.75 4.32 3.71 3k5eA1 LYS 48 HB2 0.02 0.04 -0.04 -0.04 1.87 1.85 3k5eA1 LYS 48 HB3 0.04 0.17 0.05 -0.04 1.79 2.01 3k5eA1 LYS 48 HG2 -0.02 0.06 -0.09 -0.04 1.46 1.38 3k5eA1 LYS 48 HG3 -0.00 -0.03 -0.03 -0.04 1.46 1.36 3k5eA1 LYS 48 HD2 -0.01 0.43 -0.05 -0.04 1.69 2.02 3k5eA1 LYS 48 HD3 -0.06 -0.17 0.10 -0.04 1.68 1.52 3k5eA1 LYS 48 HE2 -0.03 -0.07 0.14 -0.04 2.99 2.99 3k5eA1 LYS 48 HE3 -0.03 -0.05 0.09 -0.04 2.99 2.95 3k5eA1 GLU 49 H 0.03 0.35 -0.17 -0.55 8.60 8.27 3k5eA1 GLU 49 HA 0.15 0.32 1.05 -0.75 4.29 5.06 3k5eA1 GLU 49 HB2 0.04 0.15 -0.17 -0.04 2.09 2.06 3k5eA1 GLU 49 HB3 0.03 -0.10 -0.14 -0.04 1.99 1.74 3k5eA1 GLU 49 HG2 0.06 -0.09 -0.49 -0.04 2.34 1.78 3k5eA1 GLU 49 HG3 0.04 0.02 -0.15 -0.04 2.34 2.22 3k5eA1 VAL 50 H 0.23 0.73 0.36 -0.55 8.24 9.00 3k5eA1 VAL 50 HA 0.09 0.15 0.92 -0.75 4.13 4.53 3k5eA1 VAL 50 HB 0.10 -0.03 -0.12 -0.04 2.12 2.02 3k5eA1 VAL 50 HG13 0.33 0.02 -0.05 -0.04 0.97 1.23 3k5eA1 VAL 50 HG23 0.05 -0.01 -0.17 -0.04 0.95 0.77 3k5eA1 SER 51 H 0.07 0.88 0.32 -0.55 8.46 9.18 3k5eA1 SER 51 HA 0.09 0.29 1.15 -0.75 4.49 5.26 3k5eA1 SER 51 HB2 0.04 -0.02 -0.12 -0.04 3.95 3.81 3k5eA1 SER 51 HB3 0.04 -0.07 0.07 -0.04 3.93 3.92 3k5eA1 VAL 52 H 0.10 0.89 0.37 -0.55 8.24 9.05 3k5eA1 VAL 52 HA 0.07 0.36 1.08 -0.75 4.13 4.89 3k5eA1 VAL 52 HB 0.16 -0.06 0.11 -0.04 2.12 2.29 3k5eA1 VAL 52 HG13 0.07 -0.01 -0.26 -0.04 0.97 0.73 3k5eA1 VAL 52 HG23 0.13 0.00 -0.21 -0.04 0.95 0.84 3k5eA1 ARG 53 H 0.06 0.69 0.31 -0.55 8.46 8.96 3k5eA1 ARG 53 HA 0.04 0.19 0.93 -0.75 4.34 4.75 3k5eA1 ARG 53 HB2 0.06 0.03 0.11 -0.04 1.90 2.05 3k5eA1 ARG 53 HB3 0.06 0.03 0.31 -0.04 1.80 2.15 3k5eA1 ARG 53 HG2 0.05 -0.02 -0.15 -0.04 1.67 1.50 3k5eA1 ARG 53 HG3 0.04 -0.08 0.10 -0.04 1.67 1.70 3k5eA1 ARG 53 HD2 0.09 0.07 0.05 -0.04 3.22 3.39 3k5eA1 ARG 53 HD3 0.05 -0.10 0.06 -0.04 3.22 3.18 3k5eA1 THR 54 H 0.03 0.29 0.18 -0.55 8.28 8.23 3k5eA1 THR 54 HA 0.04 0.16 0.57 -0.75 4.39 4.41 3k5eA1 THR 54 HB 0.04 0.01 0.03 -0.04 4.32 4.36 3k5eA1 THR 54 HG23 0.05 0.02 -0.10 -0.04 1.22 1.15 3k5eA1 GLY 55 H 0.03 0.13 0.08 -0.55 8.43 8.11 3k5eA1 GLY 55 HA2 0.02 0.22 0.80 -0.51 4.01 4.53 3k5eA1 GLY 55 HA3 0.02 -0.12 0.39 -0.51 4.01 3.78 3k5eA1 GLY 56 H 0.02 -0.15 0.16 -0.55 8.43 7.92 3k5eA1 GLY 56 HA2 0.03 0.05 0.25 -0.51 4.01 3.83 3k5eA1 GLY 56 HA3 0.03 0.20 0.45 -0.51 4.01 4.17 3k5eA1 ASP 59 HA -0.00 -0.02 0.23 -0.75 4.63 4.08 3k5eA1 ASP 59 HB2 -0.02 -0.01 0.08 -0.04 2.71 2.73 3k5eA1 ASP 59 HB3 -0.01 -0.03 0.15 -0.04 2.70 2.76 3k5eA1 LYS 60 H -0.00 0.19 -0.07 -0.55 8.42 7.98 3k5eA1 LYS 60 HA 0.00 0.10 0.68 -0.75 4.32 4.35 3k5eA1 LYS 60 HB2 -0.00 0.02 -0.33 -0.04 1.87 1.52 3k5eA1 LYS 60 HB3 -0.00 -0.02 0.05 -0.04 1.79 1.79 3k5eA1 LYS 60 HG2 0.00 0.00 -0.12 -0.04 1.46 1.30 3k5eA1 LYS 60 HG3 0.00 0.04 0.00 -0.04 1.46 1.46 3k5eA1 LYS 60 HD2 -0.00 -0.00 -0.04 -0.04 1.69 1.60 3k5eA1 LYS 60 HD3 -0.00 -0.01 -0.04 -0.04 1.68 1.58 3k5eA1 LYS 60 HE2 0.00 0.01 -0.05 -0.04 2.99 2.91 3k5eA1 LYS 60 HE3 -0.00 -0.01 -0.04 -0.04 2.99 2.89 3k5eA1 SER 61 H 0.01 0.30 0.07 -0.55 8.46 8.29 3k5eA1 SER 61 HA 0.01 0.15 0.79 -0.75 4.49 4.69 3k5eA1 SER 61 HB2 0.03 -0.26 0.20 -0.04 3.95 3.87 3k5eA1 SER 61 HB3 0.02 0.05 -0.21 -0.04 3.93 3.75 3k5eA1 SER 62 H 0.02 -0.10 0.30 -0.55 8.46 8.13 3k5eA1 SER 62 HA 0.00 0.27 0.89 -0.75 4.49 4.90 3k5eA1 SER 62 HB2 0.01 0.06 0.03 -0.04 3.95 4.01 3k5eA1 SER 62 HB3 0.01 -0.09 0.05 -0.04 3.93 3.86 3k5eA1 ARG 63 H -0.00 0.30 0.20 -0.55 8.46 8.40 3k5eA1 ARG 63 HA 0.02 0.14 1.15 -0.75 4.34 4.89 3k5eA1 ARG 63 HB2 0.00 -0.02 -0.07 -0.04 1.90 1.78 3k5eA1 ARG 63 HB3 0.01 0.07 -0.14 -0.04 1.80 1.70 3k5eA1 ARG 63 HG2 0.03 0.00 -0.20 -0.04 1.67 1.47 3k5eA1 ARG 63 HG3 0.02 -0.08 -0.49 -0.04 1.67 1.09 3k5eA1 ARG 63 HD2 0.03 0.00 -0.19 -0.04 3.22 3.02 3k5eA1 ARG 63 HD3 0.02 0.01 -0.19 -0.04 3.22 3.01 3k5eA1 LYS 64 H 0.03 0.81 0.42 -0.55 8.42 9.12 3k5eA1 LYS 64 HA -0.11 0.18 0.95 -0.75 4.32 4.58 3k5eA1 LYS 64 HB2 0.06 -0.04 0.11 -0.04 1.87 1.95 3k5eA1 LYS 64 HB3 -0.04 0.03 -0.06 -0.04 1.79 1.68 3k5eA1 LYS 64 HG2 -0.00 0.01 -0.00 -0.04 1.46 1.42 3k5eA1 LYS 64 HG3 -0.16 0.04 0.11 -0.04 1.46 1.42 3k5eA1 LYS 64 HD2 -0.03 0.04 -0.23 -0.04 1.69 1.43 3k5eA1 LYS 64 HD3 0.02 -0.05 -0.09 -0.04 1.68 1.52 3k5eA1 LYS 64 HE2 -0.04 0.04 0.01 -0.04 2.99 2.95 3k5eA1 LYS 64 HE3 -0.01 -0.02 -0.04 -0.04 2.99 2.88 3k5eA1 THR 65 H -0.35 0.24 0.18 -0.55 8.28 7.81 3k5eA1 THR 65 HA -0.04 0.29 1.05 -0.75 4.39 4.94 3k5eA1 THR 65 HB -0.11 -0.05 -0.07 -0.04 4.32 4.06 3k5eA1 THR 65 HG23 -0.11 0.01 -0.16 -0.04 1.22 0.92 3k5eA1 TYR 66 H 0.16 0.60 0.36 -0.55 8.29 8.85 3k5eA1 TYR 66 HA -0.26 0.18 0.93 -0.75 4.56 4.65 3k5eA1 TYR 66 HB2 0.33 -0.08 0.01 -0.04 3.06 3.28 3k5eA1 TYR 66 HB3 -0.42 0.11 -0.04 -0.04 2.98 2.59 3k5eA1 TYR 66 HD2 -0.17 0.07 -0.13 -0.04 7.15 6.88 3k5eA1 TYR 66 HE2 -0.01 -0.01 -0.15 -0.04 6.85 6.63 3k5eA1 THR 67 H -0.13 0.20 0.17 -0.55 8.28 7.97 3k5eA1 THR 67 HA 0.07 0.25 1.11 -0.75 4.39 5.06 3k5eA1 THR 67 HB -0.00 -0.05 0.14 -0.04 4.32 4.37 3k5eA1 THR 67 HG23 0.02 0.07 0.00 -0.04 1.22 1.27 3k5eA1 PHE 68 H 0.23 0.60 0.25 -0.55 8.34 8.87 3k5eA1 PHE 68 HA 0.07 0.19 0.82 -0.75 4.62 4.95 3k5eA1 PHE 68 HB2 0.04 -0.03 -0.11 -0.04 3.15 3.00 3k5eA1 PHE 68 HB3 0.04 0.11 0.13 -0.04 3.06 3.29 3k5eA1 PHE 68 HD2 0.07 0.04 -0.22 -0.04 7.28 7.12 3k5eA1 PHE 68 HE2 0.06 -0.05 -0.28 -0.04 7.38 7.07 3k5eA1 PHE 68 HZ -0.13 0.01 -0.08 -0.04 7.32 7.09 3k5eA1 ASP 69 H 0.22 0.42 0.34 -0.55 8.40 8.82 3k5eA1 ASP 69 HA 0.05 0.10 0.57 -0.75 4.63 4.59 3k5eA1 ASP 69 HB2 0.08 0.09 0.21 -0.04 2.71 3.05 3k5eA1 ASP 69 HB3 0.04 -0.01 0.08 -0.04 2.70 2.76 3k5eA1 MET 70 H 0.10 0.30 0.19 -0.55 8.47 8.52 3k5eA1 MET 70 HA -0.08 0.17 0.53 -0.75 4.52 4.38 3k5eA1 MET 70 HB2 0.05 -0.08 -0.04 -0.04 2.15 2.04 3k5eA1 MET 70 HB3 -0.28 -0.03 -0.03 -0.04 2.03 1.65 3k5eA1 MET 70 HG2 -0.03 0.17 0.05 -0.04 2.63 2.78 3k5eA1 MET 70 HG3 0.03 -0.04 -0.40 -0.04 2.56 2.12 3k5eA1 MET 70 HE3 -0.04 -0.01 -0.03 -0.04 2.10 1.98 3k5eA1 VAL 71 H -0.28 0.27 0.13 -0.55 8.24 7.81 3k5eA1 VAL 71 HA -0.08 0.17 0.93 -0.75 4.13 4.39 3k5eA1 VAL 71 HB -0.03 -0.05 -0.24 -0.04 2.12 1.75 3k5eA1 VAL 71 HG13 0.06 0.01 -0.40 -0.04 0.97 0.60 3k5eA1 VAL 71 HG23 -0.04 0.00 -0.28 -0.04 0.95 0.60 3k5eA1 PHE 72 H 0.08 0.74 0.24 -0.55 8.34 8.85 3k5eA1 PHE 72 HA 0.00 0.06 0.92 -0.75 4.62 4.85 3k5eA1 PHE 72 HB2 -0.01 0.06 0.20 -0.04 3.15 3.36 3k5eA1 PHE 72 HB3 0.00 0.02 0.02 -0.04 3.06 3.07 3k5eA1 PHE 72 HD2 0.00 -0.00 -0.14 -0.04 7.28 7.10 3k5eA1 PHE 72 HE2 0.01 0.01 -0.16 -0.04 7.38 7.20 3k5eA1 PHE 72 HZ 0.00 0.04 -0.14 -0.04 7.32 7.19 3k5eA1 GLY 73 H 0.08 0.10 0.09 -0.55 8.43 8.16 3k5eA1 GLY 73 HA2 0.02 0.11 0.49 -0.51 4.01 4.12 3k5eA1 GLY 73 HA3 0.03 -0.01 0.38 -0.51 4.01 3.89 3k5eA1 ALA 74 H -0.02 0.10 0.12 -0.55 8.40 8.05 3k5eA1 ALA 74 HA -0.04 0.35 0.28 -0.75 4.34 4.17 3k5eA1 ALA 74 HB3 -0.06 -0.01 0.03 -0.04 1.41 1.33 3k5eA1 SER 75 H 0.02 -0.02 -0.28 -0.55 8.46 7.64 3k5eA1 SER 75 HA 0.02 0.13 0.40 -0.75 4.49 4.28 3k5eA1 SER 75 HB2 0.03 0.02 0.09 -0.04 3.95 4.05 3k5eA1 SER 75 HB3 0.02 -0.03 0.06 -0.04 3.93 3.94 3k5eA1 THR 76 H 0.06 0.32 -0.50 -0.55 8.28 7.61 3k5eA1 THR 76 HA 0.08 -0.07 0.33 -0.75 4.39 3.97 3k5eA1 THR 76 HB 0.04 0.13 -0.02 -0.04 4.32 4.44 3k5eA1 THR 76 HG23 -0.13 0.01 -0.16 -0.04 1.22 0.90 3k5eA1 LYS 77 H 0.03 0.04 0.22 -0.55 8.42 8.14 3k5eA1 LYS 77 HA 0.05 0.29 0.88 -0.75 4.32 4.79 3k5eA1 LYS 77 HB2 0.01 -0.13 0.12 -0.04 1.87 1.83 3k5eA1 LYS 77 HB3 0.01 -0.02 0.18 -0.04 1.79 1.92 3k5eA1 LYS 77 HG2 0.02 0.09 0.06 -0.04 1.46 1.59 3k5eA1 LYS 77 HG3 0.01 -0.01 0.05 -0.04 1.46 1.48 3k5eA1 LYS 77 HD2 0.04 -0.04 0.04 -0.04 1.69 1.70 3k5eA1 LYS 77 HD3 0.03 0.16 -0.30 -0.04 1.68 1.53 3k5eA1 LYS 77 HE2 0.02 -0.02 0.00 -0.04 2.99 2.95 3k5eA1 LYS 77 HE3 0.03 -0.05 -0.00 -0.04 2.99 2.92 3k5eA1 GLN 78 H 0.02 0.29 0.18 -0.55 8.47 8.41 3k5eA1 GLN 78 HA -0.04 0.06 0.31 -0.75 4.36 3.94 3k5eA1 GLN 78 HB2 -0.08 0.09 0.15 -0.04 2.15 2.27 3k5eA1 GLN 78 HB3 -0.11 0.19 0.04 -0.04 2.02 2.10 3k5eA1 GLN 78 HG2 0.01 -0.15 0.12 -0.04 2.40 2.33 3k5eA1 GLN 78 HG3 -0.21 0.02 -0.10 -0.04 2.39 2.06 3k5eA1 GLN 78 HE21 -0.92 0.43 0.03 -0.04 6.97 6.46 3k5eA1 GLN 78 HE22 -0.75 0.35 -0.20 -0.04 7.69 7.05 3k5eA1 ILE 79 H -0.03 0.08 -0.20 -0.55 8.25 7.56 3k5eA1 ILE 79 HA 0.02 0.11 0.39 -0.75 4.18 3.95 3k5eA1 ILE 79 HB -0.05 0.08 0.06 -0.04 1.89 1.94 3k5eA1 ILE 79 HG12 -0.01 0.03 -0.03 -0.04 1.49 1.45 3k5eA1 ILE 79 HG13 0.04 -0.03 -0.09 -0.04 1.21 1.09 3k5eA1 ILE 79 HG23 -0.01 0.00 -0.02 -0.04 0.93 0.85 3k5eA1 ILE 79 HD13 -0.02 0.01 0.01 -0.04 0.88 0.84 3k5eA1 ASP 80 H -0.01 0.09 -0.22 -0.55 8.40 7.71 3k5eA1 ASP 80 HA 0.04 0.07 0.43 -0.75 4.63 4.41 3k5eA1 ASP 80 HB2 -0.04 0.14 0.08 -0.04 2.71 2.85 3k5eA1 ASP 80 HB3 0.10 0.03 0.02 -0.04 2.70 2.82 3k5eA1 VAL 81 H -0.15 0.43 -0.24 -0.55 8.24 7.73 3k5eA1 VAL 81 HA -0.55 0.03 0.36 -0.75 4.13 3.23 3k5eA1 VAL 81 HB -0.13 0.16 0.08 -0.04 2.12 2.19 3k5eA1 VAL 81 HG13 -0.14 -0.01 -0.17 -0.04 0.97 0.61 3k5eA1 VAL 81 HG23 -0.42 0.01 -0.11 -0.04 0.95 0.38 3k5eA1 TYR 82 H 0.05 0.52 -0.15 -0.55 8.29 8.16 3k5eA1 TYR 82 HA -0.06 -0.03 0.34 -0.75 4.56 4.06 3k5eA1 TYR 82 HB2 -0.06 0.08 0.02 -0.04 3.06 3.06 3k5eA1 TYR 82 HB3 -0.06 0.03 0.17 -0.04 2.98 3.09 3k5eA1 TYR 82 HD2 -0.03 0.01 -0.09 -0.04 7.15 7.00 3k5eA1 TYR 82 HE2 -0.00 0.01 -0.18 -0.04 6.85 6.63 3k5eA1 ARG 83 H 0.12 0.59 0.03 -0.55 8.46 8.65 3k5eA1 ARG 83 HA -0.12 -0.03 0.37 -0.75 4.34 3.80 3k5eA1 ARG 83 HB2 0.04 0.10 0.17 -0.04 1.90 2.17 3k5eA1 ARG 83 HB3 0.02 0.00 -0.05 -0.04 1.80 1.73 3k5eA1 ARG 83 HG2 0.07 -0.02 0.03 -0.04 1.67 1.71 3k5eA1 ARG 83 HG3 0.17 -0.02 0.07 -0.04 1.67 1.85 3k5eA1 ARG 83 HD2 0.05 -0.04 -0.03 -0.04 3.22 3.16 3k5eA1 ARG 83 HD3 0.05 -0.02 -0.09 -0.04 3.22 3.11 3k5eA1 SER 84 H -0.01 0.46 -0.29 -0.55 8.46 8.08 3k5eA1 SER 84 HA 0.03 0.11 0.53 -0.75 4.49 4.41 3k5eA1 SER 84 HB2 0.25 0.13 0.08 -0.04 3.95 4.37 3k5eA1 SER 84 HB3 0.25 -0.01 -0.04 -0.04 3.93 4.09 3k5eA1 VAL 85 H -0.05 0.50 -0.00 -0.55 8.24 8.13 3k5eA1 VAL 85 HA 0.01 0.27 1.13 -0.75 4.13 4.78 3k5eA1 VAL 85 HB 0.03 -0.03 -0.03 -0.04 2.12 2.05 3k5eA1 VAL 85 HG13 0.18 -0.01 -0.16 -0.04 0.97 0.94 3k5eA1 VAL 85 HG23 -0.05 0.08 -0.02 -0.04 0.95 0.93 3k5eA1 VAL 86 H -0.19 0.42 0.22 -0.55 8.24 8.14 3k5eA1 VAL 86 HA -0.09 0.07 0.30 -0.75 4.13 3.66 3k5eA1 VAL 86 HB -0.42 0.02 0.11 -0.04 2.12 1.79 3k5eA1 VAL 86 HG13 0.04 -0.01 -0.14 -0.04 0.97 0.81 3k5eA1 VAL 86 HG23 0.00 0.01 -0.07 -0.04 0.95 0.86 3k5eA1 CYS 87 H -0.56 0.56 -0.00 -0.55 8.50 7.96 3k5eA1 CYS 87 HA -0.25 -0.05 0.29 -0.75 4.58 3.81 3k5eA1 CYS 87 HB2 -0.60 -0.04 -0.01 -0.04 2.97 2.28 3k5eA1 CYS 87 HB3 -0.20 0.20 0.04 -0.04 2.97 2.97 3k5eA1 PRO 88 HA -0.05 0.03 0.47 -0.51 4.44 4.39 3k5eA1 PRO 88 HB2 -0.04 0.08 -0.08 -0.04 2.28 2.20 3k5eA1 PRO 88 HB3 -0.04 -0.01 0.03 -0.04 2.02 1.97 3k5eA1 PRO 88 HG2 -0.04 0.25 -0.06 -0.04 2.03 2.14 3k5eA1 PRO 88 HG3 -0.05 -0.01 -0.02 -0.04 2.03 1.91 3k5eA1 PRO 88 HD2 -0.11 0.10 -0.91 -0.04 3.68 2.72 3k5eA1 PRO 88 HD3 -0.14 0.23 -0.15 -0.04 3.65 3.56 3k5eA1 ILE 89 H -0.07 0.37 -0.24 -0.55 8.25 7.76 3k5eA1 ILE 89 HA -0.05 0.08 0.63 -0.75 4.18 4.09 3k5eA1 ILE 89 HB -0.03 0.03 0.04 -0.04 1.89 1.89 3k5eA1 ILE 89 HG12 -0.01 -0.03 -0.27 -0.04 1.49 1.13 3k5eA1 ILE 89 HG13 -0.02 -0.07 -0.09 -0.04 1.21 1.00 3k5eA1 ILE 89 HG23 -0.04 0.13 0.14 -0.04 0.93 1.13 3k5eA1 ILE 89 HD13 -0.01 -0.01 -0.15 -0.04 0.88 0.67 3k5eA1 LEU 90 H -0.06 0.70 -0.04 -0.55 8.37 8.42 3k5eA1 LEU 90 HA -0.00 0.00 0.37 -0.75 4.35 3.97 3k5eA1 LEU 90 HB2 0.01 -0.00 -0.01 -0.04 1.64 1.60 3k5eA1 LEU 90 HB3 -0.02 0.08 0.02 -0.04 1.64 1.69 3k5eA1 LEU 90 HG 0.00 -0.00 -0.23 -0.04 1.64 1.37 3k5eA1 LEU 90 HD13 0.02 -0.02 -0.06 -0.04 0.93 0.83 3k5eA1 LEU 90 HD23 0.08 -0.01 -0.13 -0.04 0.89 0.79 3k5eA1 ASP 91 H -0.03 0.53 -0.22 -0.55 8.40 8.13 3k5eA1 ASP 91 HA -0.01 -0.01 0.44 -0.75 4.63 4.30 3k5eA1 ASP 91 HB2 -0.03 0.20 0.12 -0.04 2.71 2.96 3k5eA1 ASP 91 HB3 -0.01 -0.03 -0.03 -0.04 2.70 2.59 3k5eA1 GLU 92 H -0.02 0.36 -0.36 -0.55 8.60 8.03 3k5eA1 GLU 92 HA 0.04 0.02 0.47 -0.75 4.29 4.08 3k5eA1 GLU 92 HB2 -0.05 0.20 0.18 -0.04 2.09 2.38 3k5eA1 GLU 92 HB3 -0.11 -0.06 -0.02 -0.04 1.99 1.76 3k5eA1 GLU 92 HG2 -0.15 -0.06 0.02 -0.04 2.34 2.11 3k5eA1 GLU 92 HG3 -0.11 0.15 0.08 -0.04 2.34 2.41 3k5eA1 VAL 93 H 0.02 0.43 -0.14 -0.55 8.24 8.00 3k5eA1 VAL 93 HA 0.07 0.22 0.48 -0.75 4.13 4.14 3k5eA1 VAL 93 HB 0.01 0.05 0.06 -0.04 2.12 2.20 3k5eA1 VAL 93 HG13 0.01 -0.02 -0.26 -0.04 0.97 0.66 3k5eA1 VAL 93 HG23 0.02 0.07 -0.08 -0.04 0.95 0.92 3k5eA1 ILE 94 H 0.01 0.63 -0.19 -0.55 8.25 8.15 3k5eA1 ILE 94 HA -0.02 -0.01 0.38 -0.75 4.18 3.78 3k5eA1 ILE 94 HB -0.01 0.12 0.11 -0.04 1.89 2.07 3k5eA1 ILE 94 HG12 -0.07 -0.06 -0.06 -0.04 1.49 1.26 3k5eA1 ILE 94 HG13 -0.03 0.04 -0.04 -0.04 1.21 1.13 3k5eA1 ILE 94 HG23 -0.03 -0.02 -0.13 -0.04 0.93 0.71 3k5eA1 ILE 94 HD13 -0.04 -0.03 -0.15 -0.04 0.88 0.62 3k5eA1 MET 95 H 0.07 0.36 -0.36 -0.55 8.47 7.99 3k5eA1 MET 95 HA 0.03 0.01 0.47 -0.75 4.52 4.27 3k5eA1 MET 95 HB2 0.25 0.12 0.16 -0.04 2.15 2.64 3k5eA1 MET 95 HB3 0.18 -0.06 0.05 -0.04 2.03 2.16 3k5eA1 MET 95 HG2 0.06 -0.07 0.01 -0.04 2.63 2.58 3k5eA1 MET 95 HG3 0.06 0.19 0.03 -0.04 2.56 2.79 3k5eA1 MET 95 HE3 0.01 0.01 -0.21 -0.04 2.10 1.86 3k5eA1 GLY 96 H 0.05 0.27 -0.36 -0.55 8.43 7.84 3k5eA1 GLY 96 HA2 -0.06 -0.01 -0.07 -0.51 4.01 3.37 3k5eA1 GLY 96 HA3 -0.13 0.08 0.73 -0.51 4.01 4.18 3k5eA1 TYR 97 H 0.17 0.31 0.18 -0.55 8.29 8.40 3k5eA1 TYR 97 HA -0.02 0.13 0.83 -0.75 4.56 4.74 3k5eA1 TYR 97 HB2 -0.01 0.03 -0.12 -0.04 3.06 2.92 3k5eA1 TYR 97 HB3 -0.01 0.05 0.07 -0.04 2.98 3.04 3k5eA1 TYR 97 HD2 -0.01 0.10 0.05 -0.04 7.15 7.24 3k5eA1 TYR 97 HE2 -0.01 -0.02 -0.01 -0.04 6.85 6.77 3k5eA1 ASN 98 H 0.11 0.17 0.24 -0.55 8.53 8.50 3k5eA1 ASN 98 HA 0.03 0.25 1.13 -0.75 4.76 5.42 3k5eA1 ASN 98 HB2 0.03 -0.04 0.07 -0.04 2.88 2.90 3k5eA1 ASN 98 HB3 0.01 -0.01 0.02 -0.04 2.79 2.77 3k5eA1 ASN 98 HD21 -0.01 0.02 -0.03 -0.04 7.03 6.97 3k5eA1 ASN 98 HD22 0.00 -0.04 -0.03 -0.04 7.74 7.63 3k5eA1 CYS 99 H 0.02 0.67 0.41 -0.55 8.50 9.04 3k5eA1 CYS 99 HA 0.01 0.33 1.03 -0.75 4.58 5.19 3k5eA1 CYS 99 HB2 0.01 -0.05 0.03 -0.04 2.97 2.92 3k5eA1 CYS 99 HB3 -0.00 0.01 0.02 -0.04 2.97 2.95 3k5eA1 THR 100 H -0.01 0.68 0.38 -0.55 8.28 8.78 3k5eA1 THR 100 HA -0.09 0.11 1.05 -0.75 4.39 4.70 3k5eA1 THR 100 HB -0.05 0.05 0.06 -0.04 4.32 4.34 3k5eA1 THR 100 HG23 -0.53 -0.01 -0.16 -0.04 1.22 0.48 3k5eA1 ILE 101 H -0.10 0.63 0.40 -0.55 8.25 8.62 3k5eA1 ILE 101 HA 0.02 0.31 0.96 -0.75 4.18 4.72 3k5eA1 ILE 101 HB -0.01 -0.09 0.14 -0.04 1.89 1.88 3k5eA1 ILE 101 HG12 0.01 0.06 -0.03 -0.04 1.49 1.50 3k5eA1 ILE 101 HG13 -0.01 -0.05 -0.44 -0.04 1.21 0.67 3k5eA1 ILE 101 HG23 0.05 -0.00 -0.16 -0.04 0.93 0.77 3k5eA1 ILE 101 HD13 -0.00 -0.01 -0.12 -0.04 0.88 0.71 3k5eA1 PHE 102 H 0.24 0.72 0.36 -0.55 8.34 9.11 3k5eA1 PHE 102 HA 0.07 0.16 1.00 -0.75 4.62 5.10 3k5eA1 PHE 102 HB2 0.08 0.02 0.19 -0.04 3.15 3.40 3k5eA1 PHE 102 HB3 0.12 -0.02 -0.09 -0.04 3.06 3.03 3k5eA1 PHE 102 HD2 0.08 0.06 -0.07 -0.04 7.28 7.31 3k5eA1 PHE 102 HE2 0.06 0.04 -0.13 -0.04 7.38 7.30 3k5eA1 PHE 102 HZ 0.05 0.00 -0.17 -0.04 7.32 7.16 3k5eA1 ALA 103 H 0.19 0.56 0.39 -0.55 8.40 8.99 3k5eA1 ALA 103 HA 0.14 0.35 0.99 -0.75 4.34 5.06 3k5eA1 ALA 103 HB3 0.07 -0.05 0.19 -0.04 1.41 1.58 3k5eA1 TYR 104 H 0.17 0.76 0.31 -0.55 8.29 8.98 3k5eA1 TYR 104 HA -0.00 0.17 0.96 -0.75 4.56 4.93 3k5eA1 TYR 104 HB2 0.01 0.02 -0.17 -0.04 3.06 2.88 3k5eA1 TYR 104 HB3 0.01 0.02 -0.01 -0.04 2.98 2.97 3k5eA1 TYR 104 HD2 -0.10 -0.02 -0.18 -0.04 7.15 6.81 3k5eA1 TYR 104 HE2 -0.42 -0.02 -0.05 -0.04 6.85 6.32 3k5eA1 GLY 105 H -0.63 0.30 0.19 -0.55 8.43 7.75 3k5eA1 GLY 105 HA2 -0.25 0.07 0.33 -0.51 4.01 3.65 3k5eA1 GLY 105 HA3 -0.11 0.23 0.74 -0.51 4.01 4.36 3k5eA1 GLN 106 H -0.12 0.26 0.14 -0.55 8.47 8.21 3k5eA1 GLN 106 HA -0.14 -0.11 0.52 -0.75 4.36 3.88 3k5eA1 GLN 106 HB2 -0.07 0.04 0.10 -0.04 2.15 2.17 3k5eA1 GLN 106 HB3 -0.07 -0.00 -0.02 -0.04 2.02 1.89 3k5eA1 GLN 106 HG2 -0.05 0.26 -0.03 -0.04 2.40 2.53 3k5eA1 GLN 106 HG3 -0.06 -0.07 0.07 -0.04 2.39 2.28 3k5eA1 GLN 106 HE21 -0.02 -0.03 -0.00 -0.04 6.97 6.88 3k5eA1 GLN 106 HE22 -0.03 0.03 0.01 -0.04 7.69 7.66 3k5eA1 THR 107 H -0.10 0.06 0.25 -0.55 8.28 7.94 3k5eA1 THR 107 HA -0.06 0.00 0.58 -0.75 4.39 4.15 3k5eA1 THR 107 HB -0.05 0.02 0.14 -0.04 4.32 4.39 3k5eA1 THR 107 HG23 -0.03 0.01 -0.03 -0.04 1.22 1.13 3k5eA1 GLY 108 H -0.03 0.03 0.22 -0.55 8.43 8.09 3k5eA1 GLY 108 HA2 -0.02 -0.01 0.31 -0.51 4.01 3.77 3k5eA1 GLY 108 HA3 -0.03 0.19 0.56 -0.51 4.01 4.22 3k5eA1 THR 109 H -0.04 0.15 -0.01 -0.55 8.28 7.83 3k5eA1 THR 109 HA -0.06 0.29 0.69 -0.75 4.39 4.56 3k5eA1 THR 109 HB -0.05 -0.01 -0.38 -0.04 4.32 3.84 3k5eA1 THR 109 HG23 -0.06 0.01 -0.25 -0.04 1.22 0.89 3k5eA1 GLY 110 H -0.01 -0.13 -0.00 -0.55 8.43 7.74 3k5eA1 GLY 110 HA2 0.06 -0.05 0.23 -0.51 4.01 3.74 3k5eA1 GLY 110 HA3 0.01 0.39 0.85 -0.51 4.01 4.76 3k5eA1 LYS 111 H 0.01 0.02 0.04 -0.55 8.42 7.93 3k5eA1 LYS 111 HA 0.03 0.19 0.43 -0.75 4.32 4.23 3k5eA1 LYS 111 HB2 -0.01 -0.09 0.08 -0.04 1.87 1.81 3k5eA1 LYS 111 HB3 0.01 0.12 -0.04 -0.04 1.79 1.84 3k5eA1 LYS 111 HG2 0.00 0.02 -0.31 -0.04 1.46 1.13 3k5eA1 LYS 111 HG3 -0.04 -0.08 -0.22 -0.04 1.46 1.08 3k5eA1 LYS 111 HD2 -0.04 0.22 -0.18 -0.04 1.69 1.65 3k5eA1 LYS 111 HD3 -0.16 -0.14 -0.14 -0.04 1.68 1.20 3k5eA1 LYS 111 HE2 -0.05 -0.08 -0.05 -0.04 2.99 2.77 3k5eA1 LYS 111 HE3 -0.12 0.29 -0.23 -0.04 2.99 2.89 3k5eA1 THR 112 H 0.03 0.04 -0.03 -0.55 8.28 7.78 3k5eA1 THR 112 HA 0.02 0.15 0.53 -0.75 4.39 4.33 3k5eA1 THR 112 HB 0.05 -0.06 0.03 -0.04 4.32 4.30 3k5eA1 THR 112 HG23 0.02 0.03 -0.07 -0.04 1.22 1.15 3k5eA1 PHE 113 H 0.17 -0.05 -0.27 -0.55 8.34 7.64 3k5eA1 PHE 113 HA -0.01 0.07 0.38 -0.75 4.62 4.30 3k5eA1 PHE 113 HB2 -0.02 -0.05 0.01 -0.04 3.15 3.05 3k5eA1 PHE 113 HB3 -0.02 0.03 0.03 -0.04 3.06 3.05 3k5eA1 PHE 113 HD2 -0.02 0.00 -0.20 -0.04 7.28 7.02 3k5eA1 PHE 113 HE2 -0.02 0.00 -0.06 -0.04 7.38 7.25 3k5eA1 PHE 113 HZ -0.02 -0.01 -0.01 -0.04 7.32 7.24 3k5eA1 THR 114 H 0.16 0.62 -0.24 -0.55 8.28 8.27 3k5eA1 THR 114 HA -0.01 0.08 0.51 -0.75 4.39 4.22 3k5eA1 THR 114 HB 0.04 0.05 0.13 -0.04 4.32 4.51 3k5eA1 THR 114 HG23 0.00 -0.01 -0.17 -0.04 1.22 1.00 3k5eA1 MET 115 H -0.00 0.48 -0.08 -0.55 8.47 8.31 3k5eA1 MET 115 HA -0.03 0.05 0.36 -0.75 4.52 4.14 3k5eA1 MET 115 HB2 -0.01 -0.00 0.08 -0.04 2.15 2.18 3k5eA1 MET 115 HB3 -0.02 -0.03 -0.05 -0.04 2.03 1.89 3k5eA1 MET 115 HG2 0.03 0.21 0.12 -0.04 2.63 2.94 3k5eA1 MET 115 HG3 0.03 0.01 -0.11 -0.04 2.56 2.46 3k5eA1 MET 115 HE3 -0.00 -0.01 -0.10 -0.04 2.10 1.95 3k5eA1 GLU 116 H -0.07 0.56 -0.07 -0.55 8.60 8.47 3k5eA1 GLU 116 HA -0.11 0.05 0.85 -0.75 4.29 4.32 3k5eA1 GLU 116 HB2 -0.05 0.14 0.12 -0.04 2.09 2.26 3k5eA1 GLU 116 HB3 -0.06 0.00 -0.02 -0.04 1.99 1.87 3k5eA1 GLU 116 HG2 -0.08 0.00 -0.11 -0.04 2.34 2.10 3k5eA1 GLU 116 HG3 -0.03 -0.07 -0.11 -0.04 2.34 2.09 3k5eA1 GLY 117 H -0.18 0.22 0.14 -0.55 8.43 8.06 3k5eA1 GLY 117 HA2 -0.60 0.16 0.43 -0.51 4.01 3.50 3k5eA1 GLY 117 HA3 -0.27 0.06 0.78 -0.51 4.01 4.07 3k5eA1 GLU 118 H -0.19 0.56 0.09 -0.55 8.60 8.52 3k5eA1 GLU 118 HA 0.01 0.14 0.69 -0.75 4.29 4.37 3k5eA1 GLU 118 HB2 0.09 0.01 -0.12 -0.04 2.09 2.03 3k5eA1 GLU 118 HB3 0.07 -0.01 0.06 -0.04 1.99 2.06 3k5eA1 GLU 118 HG2 0.08 0.05 -0.17 -0.04 2.34 2.26 3k5eA1 GLU 118 HG3 0.09 -0.08 -0.47 -0.04 2.34 1.83 3k5eA1 ARG 119 H 0.06 0.14 0.06 -0.55 8.46 8.16 3k5eA1 ARG 119 HA 0.05 0.09 0.79 -0.75 4.34 4.52 3k5eA1 ARG 119 HB2 0.07 -0.03 0.03 -0.04 1.90 1.93 3k5eA1 ARG 119 HB3 0.08 0.11 -0.02 -0.04 1.80 1.93 3k5eA1 ARG 119 HG2 0.12 -0.01 -0.07 -0.04 1.67 1.67 3k5eA1 ARG 119 HG3 0.14 0.01 -0.04 -0.04 1.67 1.75 3k5eA1 ARG 119 HD2 0.09 0.05 -0.31 -0.04 3.22 3.01 3k5eA1 ARG 119 HD3 0.18 -0.01 -0.10 -0.04 3.22 3.25 3k5eA1 SER 120 H 0.08 0.08 0.09 -0.55 8.46 8.17 3k5eA1 SER 120 HA 0.09 0.13 0.60 -0.75 4.49 4.56 3k5eA1 SER 120 HB2 0.30 -0.09 0.12 -0.04 3.95 4.23 3k5eA1 SER 120 HB3 0.22 0.12 0.02 -0.04 3.93 4.25 3k5eA1 PRO 121 HA 0.05 0.03 0.26 -0.51 4.44 4.27 3k5eA1 PRO 121 HB2 0.03 0.05 0.03 -0.04 2.28 2.35 3k5eA1 PRO 121 HB3 0.04 0.04 0.11 -0.04 2.02 2.17 3k5eA1 PRO 121 HG2 0.04 0.05 0.05 -0.04 2.03 2.13 3k5eA1 PRO 121 HG3 0.04 0.05 0.08 -0.04 2.03 2.16 3k5eA1 PRO 121 HD2 0.08 0.07 0.21 -0.04 3.68 4.00 3k5eA1 PRO 121 HD3 0.07 0.20 0.24 -0.04 3.65 4.12 3k5eA1 ASN 122 H 0.03 0.12 0.15 -0.55 8.53 8.28 3k5eA1 ASN 122 HA 0.01 0.03 0.32 -0.75 4.76 4.37 3k5eA1 ASN 122 HB2 0.01 -0.07 -0.30 -0.04 2.88 2.48 3k5eA1 ASN 122 HB3 -0.01 0.12 -0.00 -0.04 2.79 2.85 3k5eA1 ASN 122 HD21 -0.01 0.00 0.01 -0.04 7.03 6.99 3k5eA1 ASN 122 HD22 -0.02 0.02 0.01 -0.04 7.74 7.71 3k5eA1 GLU 123 H 0.03 0.06 -0.16 -0.55 8.60 7.99 3k5eA1 GLU 123 HA 0.03 0.03 0.25 -0.75 4.29 3.84 3k5eA1 GLU 123 HB2 0.00 0.13 -0.20 -0.04 2.09 1.98 3k5eA1 GLU 123 HB3 0.01 0.01 0.14 -0.04 1.99 2.10 3k5eA1 GLU 123 HG2 0.04 -0.00 0.02 -0.04 2.34 2.35 3k5eA1 GLU 123 HG3 0.02 -0.08 -0.10 -0.04 2.34 2.15 3k5eA1 GLU 124 H -0.01 0.26 -0.40 -0.55 8.60 7.91 3k5eA1 GLU 124 HA -0.17 0.09 0.31 -0.75 4.29 3.77 3k5eA1 GLU 124 HB2 -0.08 0.17 0.01 -0.04 2.09 2.15 3k5eA1 GLU 124 HB3 -0.11 -0.11 -0.01 -0.04 1.99 1.72 3k5eA1 GLU 124 HG2 -0.82 -0.02 -0.07 -0.04 2.34 1.38 3k5eA1 GLU 124 HG3 -0.25 0.01 0.03 -0.04 2.34 2.09 3k5eA1 TYR 125 H 0.08 0.07 -0.20 -0.55 8.29 7.69 3k5eA1 TYR 125 HA -0.05 0.22 0.89 -0.75 4.56 4.87 3k5eA1 TYR 125 HB2 -0.04 -0.11 -0.03 -0.04 3.06 2.84 3k5eA1 TYR 125 HB3 -0.07 0.05 -0.11 -0.04 2.98 2.81 3k5eA1 TYR 125 HD2 -0.04 -0.06 -0.05 -0.04 7.15 6.96 3k5eA1 TYR 125 HE2 -0.02 -0.00 -0.02 -0.04 6.85 6.77 3k5eA1 THR 126 H 0.05 0.14 0.10 -0.55 8.28 8.01 3k5eA1 THR 126 HA -0.01 0.18 0.67 -0.75 4.39 4.47 3k5eA1 THR 126 HB -0.15 -0.05 0.13 -0.04 4.32 4.21 3k5eA1 THR 126 HG23 -0.04 0.05 0.04 -0.04 1.22 1.22 3k5eA1 TRP 127 H 0.00 0.17 0.14 -0.55 7.97 7.73 3k5eA1 TRP 127 HA -0.22 0.11 0.36 -0.75 4.62 4.12 3k5eA1 TRP 127 HB2 -0.48 0.06 0.06 -0.04 3.23 2.83 3k5eA1 TRP 127 HB3 -0.94 0.02 0.12 -0.04 3.23 2.39 3k5eA1 TRP 127 HD1 -0.26 0.02 0.08 -0.04 7.22 7.02 3k5eA1 TRP 127 HE1 0.01 0.04 0.03 -0.04 10.20 10.24 3k5eA1 TRP 127 HE3 -0.04 0.02 -0.25 -0.04 7.59 7.27 3k5eA1 TRP 127 HZ2 0.06 0.27 0.08 -0.04 7.44 7.82 3k5eA1 TRP 127 HZ3 0.07 0.18 -0.04 -0.04 7.13 7.29 3k5eA1 TRP 127 HH2 0.17 0.01 0.01 -0.04 7.19 7.33 3k5eA1 GLU 128 H -1.02 0.04 -0.19 -0.55 8.60 6.89 3k5eA1 GLU 128 HA -0.87 0.21 0.45 -0.75 4.29 3.32 3k5eA1 GLU 128 HB2 -0.98 0.08 0.09 -0.04 2.09 1.24 3k5eA1 GLU 128 HB3 -1.84 -0.02 0.03 -0.04 1.99 0.12 3k5eA1 GLU 128 HG2 -0.78 -0.14 0.00 -0.04 2.34 1.38 3k5eA1 GLU 128 HG3 -0.44 0.07 -0.16 -0.04 2.34 1.76 3k5eA1 GLU 129 H -0.29 0.13 -0.46 -0.55 8.60 7.43 3k5eA1 GLU 129 HA -0.27 0.26 0.82 -0.75 4.29 4.34 3k5eA1 GLU 129 HB2 -0.04 -0.06 -0.01 -0.04 2.09 1.94 3k5eA1 GLU 129 HB3 -0.10 0.03 0.10 -0.04 1.99 1.98 3k5eA1 GLU 129 HG2 -0.19 0.12 -0.19 -0.04 2.34 2.03 3k5eA1 GLU 129 HG3 -0.20 -0.16 -0.18 -0.04 2.34 1.76 3k5eA1 ASP 130 H -0.18 0.20 -0.17 -0.55 8.40 7.70 3k5eA1 ASP 130 HA -0.48 0.05 0.39 -0.75 4.63 3.84 3k5eA1 ASP 130 HB2 -0.03 0.16 0.08 -0.04 2.71 2.88 3k5eA1 ASP 130 HB3 -0.07 0.02 0.15 -0.04 2.70 2.76 3k5eA1 PRO 131 HA -0.21 0.11 0.39 -0.51 4.44 4.22 3k5eA1 PRO 131 HB2 -0.14 -0.00 -0.01 -0.04 2.28 2.09 3k5eA1 PRO 131 HB3 -0.16 0.01 0.14 -0.04 2.02 1.97 3k5eA1 PRO 131 HG2 -0.41 0.01 0.09 -0.04 2.03 1.68 3k5eA1 PRO 131 HG3 -0.52 0.12 0.14 -0.04 2.03 1.72 3k5eA1 PRO 131 HD2 -0.63 -0.02 0.20 -0.04 3.68 3.20 3k5eA1 PRO 131 HD3 -1.60 0.22 0.27 -0.04 3.65 2.51 3k5eA1 LEU 132 H -0.13 -0.00 -0.39 -0.55 8.37 7.30 3k5eA1 LEU 132 HA -0.08 0.15 0.72 -0.75 4.35 4.38 3k5eA1 LEU 132 HB2 -0.02 0.09 -0.15 -0.04 1.64 1.52 3k5eA1 LEU 132 HB3 -0.01 -0.10 0.03 -0.04 1.64 1.51 3k5eA1 LEU 132 HG 0.03 -0.06 -0.10 -0.04 1.64 1.46 3k5eA1 LEU 132 HD13 0.10 -0.01 -0.25 -0.04 0.93 0.73 3k5eA1 LEU 132 HD23 0.19 0.02 -0.08 -0.04 0.89 0.98 3k5eA1 ALA 133 H -0.13 0.33 -0.25 -0.55 8.40 7.80 3k5eA1 ALA 133 HA -0.10 -0.01 0.50 -0.75 4.34 3.98 3k5eA1 ALA 133 HB3 -0.06 -0.01 0.04 -0.04 1.41 1.34 3k5eA1 GLY 134 H -0.12 0.39 0.05 -0.55 8.43 8.20 3k5eA1 GLY 134 HA2 -0.19 0.19 0.51 -0.51 4.01 4.01 3k5eA1 GLY 134 HA3 -0.18 -0.08 -0.40 -0.51 4.01 2.84 3k5eA1 ILE 135 H -0.08 0.48 0.00 -0.55 8.25 8.10 3k5eA1 ILE 135 HA 0.04 0.00 0.22 -0.75 4.18 3.68 3k5eA1 ILE 135 HB -0.03 0.04 0.17 -0.04 1.89 2.03 3k5eA1 ILE 135 HG12 0.03 -0.06 -0.07 -0.04 1.49 1.35 3k5eA1 ILE 135 HG13 -0.02 0.12 0.00 -0.04 1.21 1.27 3k5eA1 ILE 135 HG23 0.01 -0.02 -0.17 -0.04 0.93 0.71 3k5eA1 ILE 135 HD13 -0.01 -0.02 -0.16 -0.04 0.88 0.66 3k5eA1 ILE 136 H -0.11 0.67 0.09 -0.55 8.25 8.35 3k5eA1 ILE 136 HA -0.17 0.02 0.26 -0.75 4.18 3.55 3k5eA1 ILE 136 HB -0.27 0.04 0.16 -0.04 1.89 1.78 3k5eA1 ILE 136 HG12 -0.48 -0.03 0.02 -0.04 1.49 0.96 3k5eA1 ILE 136 HG13 -0.20 0.17 0.10 -0.04 1.21 1.24 3k5eA1 ILE 136 HG23 -0.87 -0.02 -0.17 -0.04 0.93 -0.17 3k5eA1 ILE 136 HD13 -0.38 -0.02 -0.05 -0.04 0.88 0.39 3k5eA1 PRO 137 HA 0.08 0.01 0.44 -0.51 4.44 4.46 3k5eA1 PRO 137 HB2 0.30 0.06 -0.11 -0.04 2.28 2.49 3k5eA1 PRO 137 HB3 0.10 -0.04 0.03 -0.04 2.02 2.08 3k5eA1 PRO 137 HG2 -0.00 0.15 -0.03 -0.04 2.03 2.10 3k5eA1 PRO 137 HG3 0.02 0.09 0.07 -0.04 2.03 2.17 3k5eA1 PRO 137 HD2 -0.08 0.04 -0.21 -0.04 3.68 3.38 3k5eA1 PRO 137 HD3 -0.10 0.08 0.10 -0.04 3.65 3.69 3k5eA1 ARG 138 H -0.01 0.49 -0.34 -0.55 8.46 8.05 3k5eA1 ARG 138 HA -0.11 0.02 0.40 -0.75 4.34 3.89 3k5eA1 ARG 138 HB2 -0.09 0.18 0.01 -0.04 1.90 1.96 3k5eA1 ARG 138 HB3 -0.66 -0.08 -0.10 -0.04 1.80 0.92 3k5eA1 ARG 138 HG2 -0.33 -0.06 -0.09 -0.04 1.67 1.15 3k5eA1 ARG 138 HG3 -0.15 0.01 -0.19 -0.04 1.67 1.31 3k5eA1 ARG 138 HD2 -0.09 0.04 -0.29 -0.04 3.22 2.84 3k5eA1 ARG 138 HD3 -0.31 -0.13 -0.14 -0.04 3.22 2.60 3k5eA1 THR 139 H 0.06 0.62 -0.17 -0.55 8.28 8.23 3k5eA1 THR 139 HA 0.19 0.02 0.35 -0.75 4.39 4.20 3k5eA1 THR 139 HB 0.05 0.12 0.12 -0.04 4.32 4.57 3k5eA1 THR 139 HG23 0.08 -0.02 -0.19 -0.04 1.22 1.04 3k5eA1 LEU 140 H 0.13 0.46 -0.12 -0.55 8.37 8.29 3k5eA1 LEU 140 HA 0.17 0.05 0.39 -0.75 4.35 4.21 3k5eA1 LEU 140 HB2 0.22 0.05 0.10 -0.04 1.64 1.97 3k5eA1 LEU 140 HB3 0.31 -0.07 -0.01 -0.04 1.64 1.82 3k5eA1 LEU 140 HG 0.10 0.13 0.04 -0.04 1.64 1.87 3k5eA1 LEU 140 HD13 0.12 -0.02 -0.08 -0.04 0.93 0.91 3k5eA1 LEU 140 HD23 0.23 -0.00 -0.07 -0.04 0.89 1.00 3k5eA1 HIS 141 H 0.37 0.55 -0.18 -0.55 8.41 8.61 3k5eA1 HIS 141 HA 0.36 -0.06 0.43 -0.75 4.63 4.60 3k5eA1 HIS 141 HB2 0.23 -0.01 0.12 -0.04 3.26 3.56 3k5eA1 HIS 141 HB3 0.03 0.16 0.12 -0.04 3.20 3.47 3k5eA1 HIS 141 HD2 -0.68 -0.10 0.02 -0.04 6.97 6.17 3k5eA1 HIS 141 HE1 -0.10 0.01 -0.04 -0.04 7.75 7.58 3k5eA1 GLN 142 H 0.19 0.43 -0.35 -0.55 8.47 8.19 3k5eA1 GLN 142 HA 0.13 0.01 0.52 -0.75 4.36 4.26 3k5eA1 GLN 142 HB2 0.15 0.21 0.13 -0.04 2.15 2.59 3k5eA1 GLN 142 HB3 0.15 -0.02 -0.07 -0.04 2.02 2.03 3k5eA1 GLN 142 HG2 0.06 -0.02 -0.04 -0.04 2.40 2.36 3k5eA1 GLN 142 HG3 0.07 -0.00 -0.05 -0.04 2.39 2.37 3k5eA1 GLN 142 HE21 0.07 0.00 -0.04 -0.04 6.97 6.96 3k5eA1 GLN 142 HE22 0.04 0.01 -0.04 -0.04 7.69 7.65 3k5eA1 ILE 143 H 0.06 0.58 -0.08 -0.55 8.25 8.26 3k5eA1 ILE 143 HA -0.12 0.06 0.44 -0.75 4.18 3.80 3k5eA1 ILE 143 HB -0.18 0.05 0.09 -0.04 1.89 1.82 3k5eA1 ILE 143 HG12 -0.07 -0.00 -0.05 -0.04 1.49 1.33 3k5eA1 ILE 143 HG13 0.00 0.15 0.03 -0.04 1.21 1.35 3k5eA1 ILE 143 HG23 -0.35 -0.00 -0.19 -0.04 0.93 0.34 3k5eA1 ILE 143 HD13 0.00 -0.03 -0.14 -0.04 0.88 0.67 3k5eA1 PHE 144 H 0.08 0.36 -0.26 -0.55 8.34 7.96 3k5eA1 PHE 144 HA -0.06 0.09 0.38 -0.75 4.62 4.27 3k5eA1 PHE 144 HB2 -0.01 0.12 0.09 -0.04 3.15 3.31 3k5eA1 PHE 144 HB3 0.09 -0.06 0.02 -0.04 3.06 3.07 3k5eA1 PHE 144 HD2 0.31 0.19 0.00 -0.04 7.28 7.75 3k5eA1 PHE 144 HE2 0.14 0.08 -0.19 -0.04 7.38 7.37 3k5eA1 PHE 144 HZ 0.12 0.24 -0.20 -0.04 7.32 7.44 3k5eA1 GLU 145 H 0.04 0.30 -0.22 -0.55 8.60 8.17 3k5eA1 GLU 145 HA 0.01 0.03 0.55 -0.75 4.29 4.13 3k5eA1 GLU 145 HB2 -0.03 0.11 0.15 -0.04 2.09 2.27 3k5eA1 GLU 145 HB3 0.04 0.06 0.13 -0.04 1.99 2.18 3k5eA1 GLU 145 HG2 0.06 -0.01 -0.02 -0.04 2.34 2.33 3k5eA1 GLU 145 HG3 0.02 -0.01 0.01 -0.04 2.34 2.33 3k5eA1 LYS 146 H -0.04 0.81 -0.05 -0.55 8.42 8.58 3k5eA1 LYS 146 HA -0.03 0.01 0.39 -0.75 4.32 3.95 3k5eA1 LYS 146 HB2 -0.07 0.15 0.13 -0.04 1.87 2.04 3k5eA1 LYS 146 HB3 -0.07 -0.02 -0.06 -0.04 1.79 1.59 3k5eA1 LYS 146 HG2 -0.00 -0.04 0.00 -0.04 1.46 1.38 3k5eA1 LYS 146 HG3 0.02 -0.04 -0.01 -0.04 1.46 1.39 3k5eA1 LYS 146 HD2 0.03 -0.01 -0.14 -0.04 1.69 1.52 3k5eA1 LYS 146 HD3 -0.02 0.02 -0.10 -0.04 1.68 1.54 3k5eA1 LYS 146 HE2 0.04 -0.03 -0.06 -0.04 2.99 2.90 3k5eA1 LYS 146 HE3 0.02 -0.01 -0.08 -0.04 2.99 2.89 3k5eA1 LEU 147 H -0.27 0.35 -0.25 -0.55 8.37 7.65 3k5eA1 LEU 147 HA -0.16 0.11 0.59 -0.75 4.35 4.13 3k5eA1 LEU 147 HB2 -1.45 0.03 -0.05 -0.04 1.64 0.13 3k5eA1 LEU 147 HB3 -0.52 -0.04 -0.03 -0.04 1.64 1.01 3k5eA1 LEU 147 HG -0.36 0.04 -0.05 -0.04 1.64 1.22 3k5eA1 LEU 147 HD13 -0.55 -0.02 -0.14 -0.04 0.93 0.18 3k5eA1 LEU 147 HD23 -0.15 -0.00 -0.16 -0.04 0.89 0.54 3k5eA1 THR 148 H -0.06 0.24 -0.17 -0.55 8.28 7.75 3k5eA1 THR 148 HA 0.20 0.14 0.80 -0.75 4.39 4.78 3k5eA1 THR 148 HB 0.11 0.09 0.19 -0.04 4.32 4.66 3k5eA1 THR 148 HG23 0.11 -0.03 -0.01 -0.04 1.22 1.25 3k5eA1 ASP 149 H 0.01 0.19 -0.17 -0.55 8.40 7.87 3k5eA1 ASP 149 HA 0.03 -0.02 0.40 -0.75 4.63 4.28 3k5eA1 ASP 149 HB2 -0.00 0.10 0.15 -0.04 2.71 2.91 3k5eA1 ASP 149 HB3 0.01 -0.07 -0.02 -0.04 2.70 2.58 3k5eA1 ASN 150 H -0.00 0.18 -0.11 -0.55 8.53 8.05 3k5eA1 ASN 150 HA 0.02 0.10 0.67 -0.75 4.76 4.79 3k5eA1 ASN 150 HB2 0.01 -0.13 0.14 -0.04 2.88 2.85 3k5eA1 ASN 150 HB3 0.00 -0.02 0.07 -0.04 2.79 2.81 3k5eA1 ASN 150 HD21 -0.01 0.01 -0.14 -0.04 7.03 6.85 3k5eA1 ASN 150 HD22 0.00 -0.07 -0.06 -0.04 7.74 7.57 3k5eA1 GLY 151 H 0.02 0.07 0.05 -0.55 8.43 8.02 3k5eA1 GLY 151 HA2 0.05 0.19 0.65 -0.51 4.01 4.39 3k5eA1 GLY 151 HA3 0.03 0.03 0.38 -0.51 4.01 3.95 3k5eA1 THR 152 H 0.09 0.52 0.07 -0.55 8.28 8.41 3k5eA1 THR 152 HA 0.08 0.05 0.88 -0.75 4.39 4.65 3k5eA1 THR 152 HB 0.04 0.23 0.03 -0.04 4.32 4.58 3k5eA1 THR 152 HG23 0.09 -0.03 -0.32 -0.04 1.22 0.92 3k5eA1 GLU 153 H 0.10 0.43 0.11 -0.55 8.60 8.69 3k5eA1 GLU 153 HA 0.11 0.12 0.86 -0.75 4.29 4.63 3k5eA1 GLU 153 HB2 0.06 -0.02 0.21 -0.04 2.09 2.29 3k5eA1 GLU 153 HB3 0.03 -0.01 0.10 -0.04 1.99 2.07 3k5eA1 GLU 153 HG2 0.04 -0.01 0.04 -0.04 2.34 2.37 3k5eA1 GLU 153 HG3 0.06 0.02 0.09 -0.04 2.34 2.47 3k5eA1 PHE 154 H -0.13 0.25 0.19 -0.55 8.34 8.10 3k5eA1 PHE 154 HA 0.03 0.33 1.12 -0.75 4.62 5.35 3k5eA1 PHE 154 HB2 -0.02 0.02 -0.02 -0.04 3.15 3.08 3k5eA1 PHE 154 HB3 -0.00 -0.03 -0.29 -0.04 3.06 2.70 3k5eA1 PHE 154 HD2 -0.07 0.10 -0.24 -0.04 7.28 7.03 3k5eA1 PHE 154 HE2 -0.30 0.01 -0.14 -0.04 7.38 6.90 3k5eA1 PHE 154 HZ 0.34 -0.07 -0.01 -0.04 7.32 7.53 3k5eA1 SER 155 H 0.18 0.75 0.41 -0.55 8.46 9.26 3k5eA1 SER 155 HA -0.06 0.13 0.57 -0.75 4.49 4.37 3k5eA1 SER 155 HB2 0.01 -0.03 0.10 -0.04 3.95 3.99 3k5eA1 SER 155 HB3 -0.01 0.05 -0.06 -0.04 3.93 3.86 3k5eA1 VAL 156 H 0.08 0.25 0.17 -0.55 8.24 8.20 3k5eA1 VAL 156 HA 0.08 0.42 1.20 -0.75 4.13 5.08 3k5eA1 VAL 156 HB 0.16 0.00 0.14 -0.04 2.12 2.38 3k5eA1 VAL 156 HG13 0.05 -0.00 -0.10 -0.04 0.97 0.88 3k5eA1 VAL 156 HG23 -0.19 0.00 -0.18 -0.04 0.95 0.55 3k5eA1 LYS 157 H 0.07 0.71 0.38 -0.55 8.42 9.03 3k5eA1 LYS 157 HA 0.01 0.24 0.90 -0.75 4.32 4.72 3k5eA1 LYS 157 HB2 0.07 0.03 0.07 -0.04 1.87 2.00 3k5eA1 LYS 157 HB3 0.01 -0.01 -0.11 -0.04 1.79 1.64 3k5eA1 LYS 157 HG2 -0.00 -0.01 -0.17 -0.04 1.46 1.24 3k5eA1 LYS 157 HG3 0.04 -0.02 -0.31 -0.04 1.46 1.12 3k5eA1 LYS 157 HD2 0.03 0.02 -0.12 -0.04 1.69 1.58 3k5eA1 LYS 157 HD3 0.01 -0.01 -0.14 -0.04 1.68 1.49 3k5eA1 LYS 157 HE2 -0.02 -0.03 -0.10 -0.04 2.99 2.80 3k5eA1 LYS 157 HE3 -0.04 -0.00 -0.10 -0.04 2.99 2.81 3k5eA1 VAL 158 H -0.03 0.60 0.29 -0.55 8.24 8.55 3k5eA1 VAL 158 HA -0.11 0.49 1.25 -0.75 4.13 5.00 3k5eA1 VAL 158 HB -0.41 0.02 0.07 -0.04 2.12 1.76 3k5eA1 VAL 158 HG13 0.15 -0.01 -0.15 -0.04 0.97 0.91 3k5eA1 VAL 158 HG23 -0.05 0.01 -0.06 -0.04 0.95 0.81 3k5eA1 SER 159 H -0.37 0.57 0.41 -0.55 8.46 8.53 3k5eA1 SER 159 HA -0.17 0.14 0.79 -0.75 4.49 4.50 3k5eA1 SER 159 HB2 -0.09 0.06 -0.10 -0.04 3.95 3.79 3k5eA1 SER 159 HB3 -0.12 -0.04 0.04 -0.04 3.93 3.77 3k5eA1 LEU 160 H -0.12 0.16 0.12 -0.55 8.37 7.99 3k5eA1 LEU 160 HA -0.12 0.35 1.05 -0.75 4.35 4.89 3k5eA1 LEU 160 HB2 -0.14 0.04 -0.13 -0.04 1.64 1.38 3k5eA1 LEU 160 HB3 -0.02 -0.14 0.03 -0.04 1.64 1.47 3k5eA1 LEU 160 HG 0.08 -0.08 -0.22 -0.04 1.64 1.38 3k5eA1 LEU 160 HD13 0.16 0.03 -0.16 -0.04 0.93 0.93 3k5eA1 LEU 160 HD23 0.15 0.03 -0.10 -0.04 0.89 0.93 3k5eA1 LEU 161 H 0.01 0.67 0.29 -0.55 8.37 8.79 3k5eA1 LEU 161 HA 0.06 0.33 1.09 -0.75 4.35 5.08 3k5eA1 LEU 161 HB2 0.00 -0.03 -0.00 -0.04 1.64 1.57 3k5eA1 LEU 161 HB3 0.03 -0.01 0.14 -0.04 1.64 1.76 3k5eA1 LEU 161 HG 0.01 -0.02 -0.06 -0.04 1.64 1.53 3k5eA1 LEU 161 HD13 0.01 -0.00 -0.12 -0.04 0.93 0.77 3k5eA1 LEU 161 HD23 0.04 0.05 -0.08 -0.04 0.89 0.86 3k5eA1 GLU 162 H 0.16 0.54 0.39 -0.55 8.60 9.15 3k5eA1 GLU 162 HA 0.15 0.30 1.19 -0.75 4.29 5.19 3k5eA1 GLU 162 HB2 0.35 -0.04 -0.01 -0.04 2.09 2.34 3k5eA1 GLU 162 HB3 0.20 0.07 -0.05 -0.04 1.99 2.17 3k5eA1 GLU 162 HG2 0.14 0.01 -0.46 -0.04 2.34 1.98 3k5eA1 GLU 162 HG3 0.16 -0.03 -0.33 -0.04 2.34 2.10 3k5eA1 ILE 163 H 0.19 0.67 0.39 -0.55 8.25 8.95 3k5eA1 ILE 163 HA 0.19 0.47 1.02 -0.75 4.18 5.12 3k5eA1 ILE 163 HB 0.19 -0.09 0.17 -0.04 1.89 2.12 3k5eA1 ILE 163 HG12 0.05 0.07 -0.26 -0.04 1.49 1.32 3k5eA1 ILE 163 HG13 0.10 0.03 -0.17 -0.04 1.21 1.13 3k5eA1 ILE 163 HG23 0.06 -0.05 -0.11 -0.04 0.93 0.79 3k5eA1 ILE 163 HD13 -0.02 -0.03 -0.18 -0.04 0.88 0.61 3k5eA1 TYR 164 H 0.40 0.68 0.26 -0.55 8.29 9.09 3k5eA1 TYR 164 HA 0.10 0.13 0.75 -0.75 4.56 4.79 3k5eA1 TYR 164 HB2 0.15 0.02 -0.15 -0.04 3.06 3.03 3k5eA1 TYR 164 HB3 0.45 0.05 -0.01 -0.04 2.98 3.43 3k5eA1 TYR 164 HD2 0.02 0.02 -0.22 -0.04 7.15 6.93 3k5eA1 TYR 164 HE2 0.05 0.04 -0.12 -0.04 6.85 6.77 3k5eA1 ASN 165 H -0.45 0.21 0.13 -0.55 8.53 7.87 3k5eA1 ASN 165 HA -0.15 0.04 0.37 -0.75 4.76 4.27 3k5eA1 ASN 165 HB2 -0.19 -0.01 -0.06 -0.04 2.88 2.58 3k5eA1 ASN 165 HB3 0.13 0.12 0.18 -0.04 2.79 3.19 3k5eA1 ASN 165 HD21 0.04 0.00 0.06 -0.04 7.03 7.10 3k5eA1 ASN 165 HD22 0.10 0.03 0.08 -0.04 7.74 7.90 3k5eA1 GLU 166 H 0.01 -0.03 -0.18 -0.55 8.60 7.86 3k5eA1 GLU 166 HA 0.02 -0.12 0.24 -0.75 4.29 3.68 3k5eA1 GLU 166 HB2 -0.00 0.22 -0.01 -0.04 2.09 2.26 3k5eA1 GLU 166 HB3 -0.01 0.03 0.24 -0.04 1.99 2.21 3k5eA1 GLU 166 HG2 -0.01 -0.10 -0.04 -0.04 2.34 2.16 3k5eA1 GLU 166 HG3 -0.00 0.12 0.03 -0.04 2.34 2.44 3k5eA1 GLU 167 H 0.11 0.40 -0.40 -0.55 8.60 8.16 3k5eA1 GLU 167 HA -0.10 0.19 0.87 -0.75 4.29 4.50 3k5eA1 GLU 167 HB2 0.14 0.11 0.07 -0.04 2.09 2.37 3k5eA1 GLU 167 HB3 -0.30 -0.03 0.11 -0.04 1.99 1.73 3k5eA1 GLU 167 HG2 -0.03 -0.01 0.05 -0.04 2.34 2.31 3k5eA1 GLU 167 HG3 0.04 0.10 -0.24 -0.04 2.34 2.20 3k5eA1 LEU 168 H -0.38 0.27 0.21 -0.55 8.37 7.93 3k5eA1 LEU 168 HA -0.08 0.28 0.87 -0.75 4.35 4.67 3k5eA1 LEU 168 HB2 -0.16 0.18 0.08 -0.04 1.64 1.70 3k5eA1 LEU 168 HB3 -0.11 -0.04 -0.14 -0.04 1.64 1.32 3k5eA1 LEU 168 HG -0.03 -0.01 -0.16 -0.04 1.64 1.40 3k5eA1 LEU 168 HD13 -0.02 0.00 -0.30 -0.04 0.93 0.57 3k5eA1 LEU 168 HD23 -0.07 0.01 -0.22 -0.04 0.89 0.57 3k5eA1 PHE 169 H 0.11 0.40 0.40 -0.55 8.34 8.69 3k5eA1 PHE 169 HA 0.04 0.21 0.91 -0.75 4.62 5.03 3k5eA1 PHE 169 HB2 0.13 -0.04 0.03 -0.04 3.15 3.22 3k5eA1 PHE 169 HB3 0.04 0.03 -0.05 -0.04 3.06 3.05 3k5eA1 PHE 169 HD2 0.11 0.04 -0.20 -0.04 7.28 7.19 3k5eA1 PHE 169 HE2 0.14 0.06 -0.22 -0.04 7.38 7.31 3k5eA1 PHE 169 HZ 0.09 0.01 -0.09 -0.04 7.32 7.28 3k5eA1 ASP 170 H 0.15 0.34 0.17 -0.55 8.40 8.51 3k5eA1 ASP 170 HA 0.06 0.26 1.02 -0.75 4.63 5.21 3k5eA1 ASP 170 HB2 0.03 0.04 0.08 -0.04 2.71 2.82 3k5eA1 ASP 170 HB3 0.04 0.09 0.25 -0.04 2.70 3.05 3k5eA1 LEU 171 H 0.06 0.68 0.21 -0.55 8.37 8.77 3k5eA1 LEU 171 HA 0.03 0.20 0.62 -0.75 4.35 4.45 3k5eA1 LEU 171 HB2 0.08 0.02 -0.01 -0.04 1.64 1.69 3k5eA1 LEU 171 HB3 0.05 0.03 0.15 -0.04 1.64 1.83 3k5eA1 LEU 171 HG 0.14 -0.02 -0.11 -0.04 1.64 1.61 3k5eA1 LEU 171 HD13 -0.03 0.03 -0.18 -0.04 0.93 0.70 3k5eA1 LEU 171 HD23 0.16 0.01 -0.33 -0.04 0.89 0.69 3k5eA1 LEU 172 H 0.00 -0.08 -0.30 -0.55 8.37 7.45 3k5eA1 LEU 172 HA -0.01 0.24 0.81 -0.75 4.35 4.64 3k5eA1 LEU 172 HB2 -0.05 -0.07 0.01 -0.04 1.64 1.49 3k5eA1 LEU 172 HB3 -0.04 0.03 0.00 -0.04 1.64 1.60 3k5eA1 LEU 172 HG -0.04 -0.07 -0.26 -0.04 1.64 1.23 3k5eA1 LEU 172 HD13 -0.17 -0.03 -0.20 -0.04 0.93 0.49 3k5eA1 LEU 172 HD23 0.01 0.03 0.00 -0.04 0.89 0.89 3k5eA1 ASN 173 H -0.00 -0.04 -0.02 -0.55 8.53 7.92 3k5eA1 ASN 173 HA -0.01 0.12 0.55 -0.75 4.76 4.67 3k5eA1 ASN 173 HB2 0.00 -0.07 0.18 -0.04 2.88 2.96 3k5eA1 ASN 173 HB3 0.01 0.10 0.21 -0.04 2.79 3.07 3k5eA1 ASN 173 HD21 0.00 0.04 -0.02 -0.04 7.03 7.01 3k5eA1 ASN 173 HD22 0.01 0.04 0.05 -0.04 7.74 7.80 3k5eA1 PRO 174 HA -0.02 0.17 0.54 -0.51 4.44 4.62 3k5eA1 PRO 174 HB2 -0.01 -0.01 0.20 -0.04 2.28 2.42 3k5eA1 PRO 174 HB3 -0.02 0.03 0.10 -0.04 2.02 2.09 3k5eA1 PRO 174 HG2 -0.01 -0.00 0.02 -0.04 2.03 2.00 3k5eA1 PRO 174 HG3 -0.02 0.04 0.11 -0.04 2.03 2.12 3k5eA1 PRO 174 HD2 -0.01 0.03 0.12 -0.04 3.68 3.79 3k5eA1 PRO 174 HD3 -0.02 0.27 0.37 -0.04 3.65 4.23 3k5eA1 SER 175 H -0.00 0.07 -0.64 -0.55 8.46 7.34 3k5eA1 SER 175 HA -0.01 0.17 0.76 -0.75 4.49 4.67 3k5eA1 SER 175 HB2 -0.00 -0.00 -0.04 -0.04 3.95 3.86 3k5eA1 SER 175 HB3 -0.00 0.00 0.13 -0.04 3.93 4.02 3k5eA1 SER 176 H -0.00 0.37 0.04 -0.55 8.46 8.32 3k5eA1 SER 176 HA 0.00 0.06 0.53 -0.75 4.49 4.33 3k5eA1 SER 176 HB2 0.02 0.02 0.17 -0.04 3.95 4.11 3k5eA1 SER 176 HB3 0.01 0.05 -0.07 -0.04 3.93 3.88 3k5eA1 ASP 177 H 0.00 0.09 0.14 -0.55 8.40 8.08 3k5eA1 ASP 177 HA -0.02 0.28 0.90 -0.75 4.63 5.03 3k5eA1 ASP 177 HB2 -0.03 -0.07 0.17 -0.04 2.71 2.73 3k5eA1 ASP 177 HB3 -0.02 0.07 0.04 -0.04 2.70 2.75 3k5eA1 VAL 178 H -0.06 0.16 0.10 -0.55 8.24 7.90 3k5eA1 VAL 178 HA 0.06 0.22 0.25 -0.75 4.13 3.91 3k5eA1 VAL 178 HB -0.34 0.02 0.09 -0.04 2.12 1.85 3k5eA1 VAL 178 HG13 -0.12 0.04 -0.01 -0.04 0.97 0.84 3k5eA1 VAL 178 HG23 -0.22 -0.01 -0.14 -0.04 0.95 0.54 3k5eA1 SER 179 H 0.02 0.05 -0.38 -0.55 8.46 7.60 3k5eA1 SER 179 HA 0.05 0.14 0.62 -0.75 4.49 4.55 3k5eA1 SER 179 HB2 0.03 0.03 -0.07 -0.04 3.95 3.90 3k5eA1 SER 179 HB3 0.03 0.03 0.08 -0.04 3.93 4.03 3k5eA1 GLU 180 H 0.10 0.21 -0.11 -0.55 8.60 8.26 3k5eA1 GLU 180 HA 0.06 0.08 0.43 -0.75 4.29 4.11 3k5eA1 GLU 180 HB2 0.05 0.10 0.20 -0.04 2.09 2.40 3k5eA1 GLU 180 HB3 0.03 0.04 0.02 -0.04 1.99 2.05 3k5eA1 GLU 180 HG2 0.03 0.04 -0.08 -0.04 2.34 2.29 3k5eA1 GLU 180 HG3 0.04 -0.14 0.01 -0.04 2.34 2.20 3k5eA1 ARG 181 H 0.02 0.18 0.26 -0.55 8.46 8.36 3k5eA1 ARG 181 HA -0.31 0.22 0.89 -0.75 4.34 4.39 3k5eA1 ARG 181 HB2 -0.38 -0.06 0.16 -0.04 1.90 1.59 3k5eA1 ARG 181 HB3 -0.53 -0.01 0.06 -0.04 1.80 1.29 3k5eA1 ARG 181 HG2 -0.03 -0.05 0.23 -0.04 1.67 1.77 3k5eA1 ARG 181 HG3 -0.09 -0.00 0.03 -0.04 1.67 1.56 3k5eA1 ARG 181 HD2 0.01 -0.03 0.07 -0.04 3.22 3.22 3k5eA1 ARG 181 HD3 -0.05 -0.03 0.06 -0.04 3.22 3.16 3k5eA1 LEU 182 H -0.20 0.41 0.21 -0.55 8.37 8.24 3k5eA1 LEU 182 HA -0.04 0.13 0.59 -0.75 4.35 4.28 3k5eA1 LEU 182 HB2 -0.06 -0.11 -0.12 -0.04 1.64 1.30 3k5eA1 LEU 182 HB3 -0.02 0.17 0.02 -0.04 1.64 1.77 3k5eA1 LEU 182 HG -0.03 -0.00 -0.09 -0.04 1.64 1.47 3k5eA1 LEU 182 HD13 0.00 -0.04 -0.25 -0.04 0.93 0.60 3k5eA1 LEU 182 HD23 0.01 0.05 -0.12 -0.04 0.89 0.78 3k5eA1 GLN 183 H 0.00 0.23 0.24 -0.55 8.47 8.40 3k5eA1 GLN 183 HA -0.15 0.17 0.90 -0.75 4.36 4.53 3k5eA1 GLN 183 HB2 0.10 -0.04 0.13 -0.04 2.15 2.30 3k5eA1 GLN 183 HB3 -0.32 0.05 0.01 -0.04 2.02 1.72 3k5eA1 GLN 183 HG2 -0.11 0.03 0.04 -0.04 2.40 2.32 3k5eA1 GLN 183 HG3 -0.03 0.04 -0.08 -0.04 2.39 2.28 3k5eA1 GLN 183 HE21 0.05 -0.02 0.00 -0.04 6.97 6.96 3k5eA1 GLN 183 HE22 0.00 0.02 -0.00 -0.04 7.69 7.67 3k5eA1 MET 184 H -0.36 0.24 0.21 -0.55 8.47 8.01 3k5eA1 MET 184 HA -0.05 0.23 1.03 -0.75 4.52 4.97 3k5eA1 MET 184 HB2 -0.10 -0.04 -0.12 -0.04 2.15 1.85 3k5eA1 MET 184 HB3 -0.15 0.00 -0.02 -0.04 2.03 1.82 3k5eA1 MET 184 HG2 -0.03 0.07 -0.18 -0.04 2.63 2.45 3k5eA1 MET 184 HG3 -0.02 -0.03 -0.15 -0.04 2.56 2.32 3k5eA1 MET 184 HE3 -0.04 0.01 -0.15 -0.04 2.10 1.87 3k5eA1 PHE 185 H 0.11 0.56 0.30 -0.55 8.34 8.76 3k5eA1 PHE 185 HA -0.00 0.12 0.84 -0.75 4.62 4.82 3k5eA1 PHE 185 HB2 -0.01 -0.00 0.02 -0.04 3.15 3.12 3k5eA1 PHE 185 HB3 -0.00 0.08 0.07 -0.04 3.06 3.16 3k5eA1 PHE 185 HD2 -0.01 0.04 -0.09 -0.04 7.28 7.18 3k5eA1 PHE 185 HE2 -0.01 -0.03 -0.08 -0.04 7.38 7.23 3k5eA1 PHE 185 HZ -0.01 -0.01 -0.05 -0.04 7.32 7.21 3k5eA1 ASP 186 H 0.13 0.10 0.12 -0.55 8.40 8.21 3k5eA1 ASP 186 HA 0.05 0.19 0.66 -0.75 4.63 4.78 3k5eA1 ASP 186 HB2 0.06 -0.03 -0.05 -0.04 2.71 2.65 3k5eA1 ASP 186 HB3 0.04 0.08 0.01 -0.04 2.70 2.78 3k5eA1 ASP 187 H 0.03 0.61 0.06 -0.55 8.40 8.55 3k5eA1 ASP 187 HA 0.03 0.11 0.58 -0.75 4.63 4.60 3k5eA1 ASP 187 HB2 0.02 -0.07 -0.52 -0.04 2.71 2.10 3k5eA1 ASP 187 HB3 0.01 0.16 -0.08 -0.04 2.70 2.75 3k5eA1 PRO 188 HA 0.01 0.07 0.10 -0.51 4.44 4.11 3k5eA1 PRO 188 HB2 -0.01 -0.00 -0.03 -0.04 2.28 2.20 3k5eA1 PRO 188 HB3 -0.00 0.02 0.01 -0.04 2.02 2.01 3k5eA1 PRO 188 HG2 -0.02 0.01 0.04 -0.04 2.03 2.01 3k5eA1 PRO 188 HG3 -0.00 0.07 0.02 -0.04 2.03 2.08 3k5eA1 PRO 188 HD2 -0.01 0.01 0.10 -0.04 3.68 3.74 3k5eA1 PRO 188 HD3 0.01 0.29 0.27 -0.04 3.65 4.18 3k5eA1 ARG 189 H -0.00 0.02 -0.24 -0.55 8.46 7.69 3k5eA1 ARG 189 HA -0.00 0.14 0.53 -0.75 4.34 4.26 3k5eA1 ARG 189 HB2 -0.00 0.03 0.00 -0.04 1.90 1.89 3k5eA1 ARG 189 HB3 -0.00 0.01 0.02 -0.04 1.80 1.79 3k5eA1 ARG 189 HG2 -0.01 0.02 0.00 -0.04 1.67 1.65 3k5eA1 ARG 189 HG3 -0.00 -0.06 0.04 -0.04 1.67 1.60 3k5eA1 ARG 189 HD2 -0.00 -0.04 0.01 -0.04 3.22 3.15 3k5eA1 ARG 189 HD3 -0.00 0.05 0.01 -0.04 3.22 3.24 3k5eA1 ASN 190 H -0.00 0.03 -0.04 -0.55 8.53 7.97 3k5eA1 ASN 190 HA -0.00 0.06 0.60 -0.75 4.76 4.66 3k5eA1 ASN 190 HB2 -0.01 0.10 0.01 -0.04 2.88 2.94 3k5eA1 ASN 190 HB3 -0.01 -0.00 0.07 -0.04 2.79 2.81 3k5eA1 ASN 190 HD21 -0.00 -0.03 -0.02 -0.04 7.03 6.94 3k5eA1 ASN 190 HD22 -0.01 0.03 0.03 -0.04 7.74 7.75 3k5eA1 LYS 191 H -0.00 0.12 0.22 -0.55 8.42 8.20 3k5eA1 LYS 191 HA 0.00 0.11 0.32 -0.75 4.32 3.99 3k5eA1 LYS 191 HB2 0.00 -0.03 0.10 -0.04 1.87 1.90 3k5eA1 LYS 191 HB3 0.00 0.07 0.16 -0.04 1.79 1.98 3k5eA1 LYS 191 HG2 -0.00 -0.03 0.06 -0.04 1.46 1.44 3k5eA1 LYS 191 HG3 -0.01 0.03 -0.26 -0.04 1.46 1.18 3k5eA1 LYS 191 HD2 0.01 -0.01 -0.01 -0.04 1.69 1.63 3k5eA1 LYS 191 HD3 0.00 -0.00 0.02 -0.04 1.68 1.66 3k5eA1 LYS 191 HE2 0.00 -0.01 -0.02 -0.04 2.99 2.93 3k5eA1 LYS 191 HE3 0.00 0.02 -0.05 -0.04 2.99 2.92 3k5eA1 ARG 192 H -0.01 0.11 0.16 -0.55 8.46 8.17 3k5eA1 ARG 192 HA -0.03 -0.02 0.34 -0.75 4.34 3.88 3k5eA1 ARG 192 HB2 -0.11 -0.02 0.13 -0.04 1.90 1.86 3k5eA1 ARG 192 HB3 -0.04 -0.05 -0.11 -0.04 1.80 1.56 3k5eA1 ARG 192 HG2 -0.04 0.11 -0.11 -0.04 1.67 1.58 3k5eA1 ARG 192 HG3 -0.06 0.01 -0.11 -0.04 1.67 1.48 3k5eA1 ARG 192 HD2 -0.14 -0.10 -0.10 -0.04 3.22 2.85 3k5eA1 ARG 192 HD3 -0.14 0.01 -0.05 -0.04 3.22 3.00 3k5eA1 GLY 193 H -0.01 0.33 -0.43 -0.55 8.43 7.77 3k5eA1 GLY 193 HA2 -0.02 0.13 0.73 -0.51 4.01 4.34 3k5eA1 GLY 193 HA3 -0.01 0.03 0.27 -0.51 4.01 3.79 3k5eA1 VAL 194 H 0.00 0.21 0.16 -0.55 8.24 8.05 3k5eA1 VAL 194 HA 0.03 0.14 0.86 -0.75 4.13 4.41 3k5eA1 VAL 194 HB 0.02 -0.02 -0.06 -0.04 2.12 2.02 3k5eA1 VAL 194 HG13 0.00 0.00 -0.33 -0.04 0.97 0.60 3k5eA1 VAL 194 HG23 0.00 -0.02 -0.12 -0.04 0.95 0.77 3k5eA1 ILE 195 H 0.09 0.71 0.11 -0.55 8.25 8.61 3k5eA1 ILE 195 HA 0.04 0.17 0.85 -0.75 4.18 4.48 3k5eA1 ILE 195 HB 0.11 -0.01 0.00 -0.04 1.89 1.96 3k5eA1 ILE 195 HG12 0.02 0.05 -0.11 -0.04 1.49 1.41 3k5eA1 ILE 195 HG13 0.04 -0.07 -0.44 -0.04 1.21 0.70 3k5eA1 ILE 195 HG23 0.04 -0.01 -0.24 -0.04 0.93 0.68 3k5eA1 ILE 195 HD13 -0.01 0.01 -0.06 -0.04 0.88 0.78 3k5eA1 ILE 196 H 0.04 0.22 0.01 -0.55 8.25 7.97 3k5eA1 ILE 196 HA 0.06 0.25 0.97 -0.75 4.18 4.71 3k5eA1 ILE 196 HB 0.02 -0.02 0.08 -0.04 1.89 1.93 3k5eA1 ILE 196 HG12 -0.01 -0.03 -0.13 -0.04 1.49 1.29 3k5eA1 ILE 196 HG13 -0.00 0.03 -0.12 -0.04 1.21 1.08 3k5eA1 ILE 196 HG23 0.00 -0.02 -0.25 -0.04 0.93 0.62 3k5eA1 ILE 196 HD13 0.01 -0.01 -0.21 -0.04 0.88 0.63 3k5eA1 LYS 197 H 0.15 0.63 0.21 -0.55 8.42 8.86 3k5eA1 LYS 197 HA 0.06 0.04 0.50 -0.75 4.32 4.17 3k5eA1 LYS 197 HB2 0.20 0.03 0.01 -0.04 1.87 2.07 3k5eA1 LYS 197 HB3 0.22 -0.01 0.17 -0.04 1.79 2.13 3k5eA1 LYS 197 HG2 0.07 -0.00 -0.27 -0.04 1.46 1.22 3k5eA1 LYS 197 HG3 0.04 -0.01 -0.03 -0.04 1.46 1.41 3k5eA1 LYS 197 HD2 0.02 0.01 -0.04 -0.04 1.69 1.64 3k5eA1 LYS 197 HD3 0.15 -0.01 -0.03 -0.04 1.68 1.75 3k5eA1 LYS 197 HE2 -0.00 0.00 -0.04 -0.04 2.99 2.91 3k5eA1 LYS 197 HE3 0.00 0.01 -0.03 -0.04 2.99 2.93 3k5eA1 GLY 198 H 0.02 0.21 0.17 -0.55 8.43 8.29 3k5eA1 GLY 198 HA2 0.01 0.02 0.29 -0.51 4.01 3.82 3k5eA1 GLY 198 HA3 0.02 0.13 0.52 -0.51 4.01 4.17 3k5eA1 LEU 199 H 0.02 0.21 -0.50 -0.55 8.37 7.54 3k5eA1 LEU 199 HA 0.00 -0.04 0.37 -0.75 4.35 3.93 3k5eA1 LEU 199 HB2 0.00 -0.03 -0.08 -0.04 1.64 1.49 3k5eA1 LEU 199 HB3 0.00 0.08 0.03 -0.04 1.64 1.72 3k5eA1 LEU 199 HG -0.02 0.11 -0.30 -0.04 1.64 1.40 3k5eA1 LEU 199 HD13 -0.01 -0.06 -0.04 -0.04 0.93 0.79 3k5eA1 LEU 199 HD23 -0.01 -0.01 -0.10 -0.04 0.89 0.73 3k5eA1 GLU 200 H -0.01 0.01 0.21 -0.55 8.60 8.26 3k5eA1 GLU 200 HA -0.01 0.12 0.57 -0.75 4.29 4.22 3k5eA1 GLU 200 HB2 -0.02 -0.15 0.11 -0.04 2.09 1.99 3k5eA1 GLU 200 HB3 -0.02 0.06 -0.11 -0.04 1.99 1.88 3k5eA1 GLU 200 HG2 -0.00 0.16 0.04 -0.04 2.34 2.50 3k5eA1 GLU 200 HG3 -0.01 -0.11 0.05 -0.04 2.34 2.24 3k5eA1 GLU 201 H -0.02 0.20 0.15 -0.55 8.60 8.39 3k5eA1 GLU 201 HA -0.05 0.29 0.82 -0.75 4.29 4.60 3k5eA1 GLU 201 HB2 -0.01 -0.03 0.09 -0.04 2.09 2.10 3k5eA1 GLU 201 HB3 -0.02 -0.02 -0.11 -0.04 1.99 1.80 3k5eA1 GLU 201 HG2 -0.03 0.03 -0.17 -0.04 2.34 2.13 3k5eA1 GLU 201 HG3 -0.01 0.02 -0.23 -0.04 2.34 2.08 3k5eA1 ILE 202 H -0.06 0.70 0.24 -0.55 8.25 8.58 3k5eA1 ILE 202 HA -0.04 0.12 0.94 -0.75 4.18 4.45 3k5eA1 ILE 202 HB -0.05 -0.03 0.12 -0.04 1.89 1.89 3k5eA1 ILE 202 HG12 -0.03 0.05 -0.03 -0.04 1.49 1.43 3k5eA1 ILE 202 HG13 -0.03 0.02 -0.21 -0.04 1.21 0.95 3k5eA1 ILE 202 HG23 -0.05 0.05 -0.02 -0.04 0.93 0.87 3k5eA1 ILE 202 HD13 -0.05 -0.02 -0.19 -0.04 0.88 0.58 3k5eA1 THR 203 H -0.06 0.13 0.16 -0.55 8.28 7.96 3k5eA1 THR 203 HA -0.05 0.23 0.78 -0.75 4.39 4.60 3k5eA1 THR 203 HB -0.17 -0.06 0.14 -0.04 4.32 4.20 3k5eA1 THR 203 HG23 -0.21 -0.02 -0.15 -0.04 1.22 0.81 3k5eA1 VAL 204 H 0.01 0.88 0.31 -0.55 8.24 8.89 3k5eA1 VAL 204 HA -0.08 0.08 0.82 -0.75 4.13 4.20 3k5eA1 VAL 204 HB 0.35 -0.00 0.10 -0.04 2.12 2.53 3k5eA1 VAL 204 HG13 0.15 -0.01 -0.17 -0.04 0.97 0.90 3k5eA1 VAL 204 HG23 0.09 0.03 -0.17 -0.04 0.95 0.86 3k5eA1 HIS 205 H -0.21 0.15 0.03 -0.55 8.41 7.83 3k5eA1 HIS 205 HA 0.06 0.13 0.36 -0.75 4.63 4.43 3k5eA1 HIS 205 HB2 -0.02 -0.06 0.05 -0.04 3.26 3.20 3k5eA1 HIS 205 HB3 -0.01 0.05 0.05 -0.04 3.20 3.24 3k5eA1 HIS 205 HD2 -0.00 -0.02 0.03 -0.04 6.97 6.92 3k5eA1 HIS 205 HE1 -0.01 0.01 -0.01 -0.04 7.75 7.70 3k5eA1 ASN 206 H -0.07 0.10 0.01 -0.55 8.53 8.02 3k5eA1 ASN 206 HA -0.57 0.28 0.55 -0.75 4.76 4.27 3k5eA1 ASN 206 HB2 -0.15 -0.12 0.14 -0.04 2.88 2.72 3k5eA1 ASN 206 HB3 -0.05 0.24 -0.01 -0.04 2.79 2.93 3k5eA1 ASN 206 HD21 0.02 0.03 -0.08 -0.04 7.03 6.96 3k5eA1 ASN 206 HD22 0.01 0.14 -0.18 -0.04 7.74 7.66 3k5eA1 LYS 207 H -0.51 0.27 0.14 -0.55 8.42 7.76 3k5eA1 LYS 207 HA -0.29 0.11 0.43 -0.75 4.32 3.82 3k5eA1 LYS 207 HB2 -0.17 0.12 0.11 -0.04 1.87 1.89 3k5eA1 LYS 207 HB3 -0.16 0.04 0.14 -0.04 1.79 1.77 3k5eA1 LYS 207 HG2 0.46 -0.10 0.08 -0.04 1.46 1.86 3k5eA1 LYS 207 HG3 -0.24 0.12 0.07 -0.04 1.46 1.36 3k5eA1 LYS 207 HD2 0.13 -0.05 -0.34 -0.04 1.69 1.38 3k5eA1 LYS 207 HD3 -0.06 -0.00 -0.05 -0.04 1.68 1.52 3k5eA1 LYS 207 HE2 -0.18 0.09 -0.01 -0.04 2.99 2.85 3k5eA1 LYS 207 HE3 -0.08 -0.04 0.01 -0.04 2.99 2.84 3k5eA1 ASP 208 H -0.05 0.14 -0.19 -0.55 8.40 7.76 3k5eA1 ASP 208 HA 0.23 0.10 0.54 -0.75 4.63 4.73 3k5eA1 ASP 208 HB2 0.02 0.02 -0.00 -0.04 2.71 2.72 3k5eA1 ASP 208 HB3 0.07 0.04 0.13 -0.04 2.70 2.90 3k5eA1 GLU 209 H -0.04 0.32 -0.60 -0.55 8.60 7.73 3k5eA1 GLU 209 HA -0.00 0.17 0.78 -0.75 4.29 4.48 3k5eA1 GLU 209 HB2 -0.01 -0.08 -0.01 -0.04 2.09 1.95 3k5eA1 GLU 209 HB3 -0.04 0.11 0.03 -0.04 1.99 2.05 3k5eA1 GLU 209 HG2 -0.02 0.04 0.09 -0.04 2.34 2.41 3k5eA1 GLU 209 HG3 0.01 0.02 0.09 -0.04 2.34 2.42 3k5eA1 VAL 210 H -0.02 0.28 -0.10 -0.55 8.24 7.86 3k5eA1 VAL 210 HA -0.04 0.11 0.41 -0.75 4.13 3.85 3k5eA1 VAL 210 HB -0.32 0.07 0.16 -0.04 2.12 1.99 3k5eA1 VAL 210 HG13 -0.27 0.00 -0.14 -0.04 0.97 0.51 3k5eA1 VAL 210 HG23 0.21 0.01 -0.02 -0.04 0.95 1.11 3k5eA1 TYR 211 H -0.38 0.18 -0.15 -0.55 8.29 7.39 3k5eA1 TYR 211 HA -0.70 0.07 0.08 -0.75 4.56 3.26 3k5eA1 TYR 211 HB2 -1.88 0.01 0.08 -0.04 3.06 1.23 3k5eA1 TYR 211 HB3 -0.42 0.03 0.05 -0.04 2.98 2.60 3k5eA1 TYR 211 HD2 -0.38 0.02 -0.05 -0.04 7.15 6.71 3k5eA1 TYR 211 HE2 -0.03 0.05 -0.05 -0.04 6.85 6.77 3k5eA1 GLN 212 H -0.11 0.14 -0.16 -0.55 8.47 7.79 3k5eA1 GLN 212 HA -0.22 0.03 0.46 -0.75 4.36 3.87 3k5eA1 GLN 212 HB2 -0.06 0.05 0.01 -0.04 2.15 2.10 3k5eA1 GLN 212 HB3 -0.05 0.01 0.09 -0.04 2.02 2.03 3k5eA1 GLN 212 HG2 -0.04 -0.09 0.01 -0.04 2.40 2.24 3k5eA1 GLN 212 HG3 -0.05 0.12 0.01 -0.04 2.39 2.44 3k5eA1 GLN 212 HE21 0.02 -0.01 0.04 -0.04 6.97 6.99 3k5eA1 GLN 212 HE22 0.03 0.11 0.12 -0.04 7.69 7.90 3k5eA1 ILE 213 H -0.12 0.34 -0.29 -0.55 8.25 7.63 3k5eA1 ILE 213 HA -0.07 0.06 0.50 -0.75 4.18 3.91 3k5eA1 ILE 213 HB -0.03 0.10 0.14 -0.04 1.89 2.06 3k5eA1 ILE 213 HG12 -0.04 -0.02 0.04 -0.04 1.49 1.43 3k5eA1 ILE 213 HG13 -0.05 0.00 0.10 -0.04 1.21 1.23 3k5eA1 ILE 213 HG23 -0.00 -0.00 -0.09 -0.04 0.93 0.79 3k5eA1 ILE 213 HD13 -0.02 -0.02 -0.04 -0.04 0.88 0.77 3k5eA1 LEU 214 H -0.17 0.51 -0.01 -0.55 8.37 8.16 3k5eA1 LEU 214 HA -0.02 0.03 0.52 -0.75 4.35 4.13 3k5eA1 LEU 214 HB2 -0.35 0.11 0.11 -0.04 1.64 1.46 3k5eA1 LEU 214 HB3 -0.15 -0.03 -0.02 -0.04 1.64 1.39 3k5eA1 LEU 214 HG -0.17 0.16 -0.04 -0.04 1.64 1.55 3k5eA1 LEU 214 HD13 -0.14 -0.02 -0.08 -0.04 0.93 0.65 3k5eA1 LEU 214 HD23 -0.02 -0.01 -0.07 -0.04 0.89 0.75 3k5eA1 GLU 215 H -0.41 0.67 -0.06 -0.55 8.60 8.25 3k5eA1 GLU 215 HA -0.23 -0.02 0.47 -0.75 4.29 3.76 3k5eA1 GLU 215 HB2 -0.29 0.13 0.18 -0.04 2.09 2.07 3k5eA1 GLU 215 HB3 -0.19 -0.04 -0.01 -0.04 1.99 1.71 3k5eA1 GLU 215 HG2 -0.41 -0.04 0.01 -0.04 2.34 1.86 3k5eA1 GLU 215 HG3 -1.17 0.09 -0.01 -0.04 2.34 1.21 3k5eA1 LYS 216 H -0.13 0.52 -0.17 -0.55 8.42 8.09 3k5eA1 LYS 216 HA -0.06 -0.02 0.44 -0.75 4.32 3.92 3k5eA1 LYS 216 HB2 -0.07 0.15 0.25 -0.04 1.87 2.16 3k5eA1 LYS 216 HB3 -0.04 0.09 0.08 -0.04 1.79 1.88 3k5eA1 LYS 216 HG2 -0.03 0.05 0.02 -0.04 1.46 1.45 3k5eA1 LYS 216 HG3 -0.04 -0.07 0.08 -0.04 1.46 1.39 3k5eA1 LYS 216 HD2 -0.03 -0.01 0.03 -0.04 1.69 1.63 3k5eA1 LYS 216 HD3 -0.05 -0.04 0.03 -0.04 1.68 1.57 3k5eA1 LYS 216 HE2 -0.03 -0.05 -0.01 -0.04 2.99 2.85 3k5eA1 LYS 216 HE3 -0.06 0.11 -0.08 -0.04 2.99 2.92 3k5eA1 GLY 217 H -0.04 0.45 -0.14 -0.55 8.43 8.15 3k5eA1 GLY 217 HA2 -0.00 0.41 0.62 -0.51 4.01 4.53 3k5eA1 GLY 217 HA3 0.02 0.00 0.33 -0.51 4.01 3.85 3k5eA1 ALA 218 H -0.05 0.48 -0.15 -0.55 8.40 8.13 3k5eA1 ALA 218 HA -0.01 -0.02 0.48 -0.75 4.34 4.04 3k5eA1 ALA 218 HB3 -0.05 0.02 0.09 -0.04 1.41 1.43 3k5eA1 ALA 219 H -0.05 0.65 -0.07 -0.55 8.40 8.38 3k5eA1 ALA 219 HA -0.04 -0.02 0.50 -0.75 4.34 4.02 3k5eA1 ALA 219 HB3 -0.04 0.04 0.13 -0.04 1.41 1.49 3k5eA1 LYS 220 H -0.04 0.61 -0.10 -0.55 8.42 8.33 3k5eA1 LYS 220 HA -0.07 -0.04 0.39 -0.75 4.32 3.84 3k5eA1 LYS 220 HB2 -0.03 0.26 0.16 -0.04 1.87 2.22 3k5eA1 LYS 220 HB3 -0.05 -0.09 0.00 -0.04 1.79 1.61 3k5eA1 LYS 220 HG2 -0.04 -0.10 0.02 -0.04 1.46 1.30 3k5eA1 LYS 220 HG3 -0.03 0.10 -0.01 -0.04 1.46 1.48 3k5eA1 LYS 220 HD2 -0.02 0.14 -0.22 -0.04 1.69 1.55 3k5eA1 LYS 220 HD3 -0.01 -0.08 -0.44 -0.04 1.68 1.11 3k5eA1 LYS 220 HE2 -0.01 -0.09 0.01 -0.04 2.99 2.86 3k5eA1 LYS 220 HE3 -0.03 -0.16 0.06 -0.04 2.99 2.82 3k5eA1 ARG 221 H -0.03 0.53 -0.23 -0.55 8.46 8.18 3k5eA1 ARG 221 HA -0.10 -0.01 0.53 -0.75 4.34 4.01 3k5eA1 ARG 221 HB2 0.00 0.16 0.18 -0.04 1.90 2.21 3k5eA1 ARG 221 HB3 0.05 -0.10 -0.06 -0.04 1.80 1.65 3k5eA1 ARG 221 HG2 0.14 -0.08 -0.01 -0.04 1.67 1.68 3k5eA1 ARG 221 HG3 0.05 0.29 0.04 -0.04 1.67 2.01 3k5eA1 ARG 221 HD2 0.05 0.00 -0.09 -0.04 3.22 3.14 3k5eA1 ARG 221 HD3 0.08 -0.06 -0.06 -0.04 3.22 3.15 3k5eA1 THR 222 H -0.05 0.60 -0.10 -0.55 8.28 8.19 3k5eA1 THR 222 HA -0.05 -0.03 0.48 -0.75 4.39 4.04 3k5eA1 THR 222 HB -0.05 0.21 0.18 -0.04 4.32 4.62 3k5eA1 THR 222 HG23 -0.04 -0.03 -0.03 -0.04 1.22 1.08 3k5eA1 THR 223 H -0.10 0.40 -0.19 -0.55 8.28 7.85 3k5eA1 THR 223 HA -0.10 0.05 0.52 -0.75 4.39 4.10 3k5eA1 THR 223 HB -0.10 -0.05 0.08 -0.04 4.32 4.21 3k5eA1 THR 223 HG23 -0.07 0.06 0.03 -0.04 1.22 1.20 3k5eA1 ALA 224 H -0.26 0.52 -0.12 -0.55 8.40 7.99 3k5eA1 ALA 224 HA -0.52 0.01 0.36 -0.75 4.34 3.43 3k5eA1 ALA 224 HB3 -1.02 0.03 0.11 -0.04 1.41 0.49 3k5eA1 ALA 225 H -0.25 0.61 -0.21 -0.55 8.40 8.00 3k5eA1 ALA 225 HA -0.09 -0.04 0.40 -0.75 4.34 3.85 3k5eA1 ALA 225 HB3 -0.02 0.02 0.08 -0.04 1.41 1.44 3k5eA1 THR 226 H -0.14 0.34 -0.27 -0.55 8.28 7.66 3k5eA1 THR 226 HA -0.06 -0.00 0.49 -0.75 4.39 4.06 3k5eA1 THR 226 HB -0.06 -0.07 0.05 -0.04 4.32 4.20 3k5eA1 THR 226 HG23 -0.06 0.09 0.09 -0.04 1.22 1.30 3k5eA1 LEU 227 H -0.19 0.40 -0.16 -0.55 8.37 7.87 3k5eA1 LEU 227 HA -0.09 0.04 0.43 -0.75 4.35 3.98 3k5eA1 LEU 227 HB2 -0.14 -0.06 0.04 -0.04 1.64 1.45 3k5eA1 LEU 227 HB3 -0.24 0.09 0.08 -0.04 1.64 1.53 3k5eA1 LEU 227 HG -0.10 0.01 -0.04 -0.04 1.64 1.46 3k5eA1 LEU 227 HD13 -0.05 -0.02 0.02 -0.04 0.93 0.84 3k5eA1 LEU 227 HD23 -0.12 -0.01 -0.12 -0.04 0.89 0.59 3k5eA1 MET 228 H -0.23 0.40 -0.13 -0.55 8.47 7.96 3k5eA1 MET 228 HA -0.13 0.13 0.92 -0.75 4.52 4.69 3k5eA1 MET 228 HB2 -0.53 0.11 0.05 -0.04 2.15 1.74 3k5eA1 MET 228 HB3 -0.96 -0.05 -0.08 -0.04 2.03 0.90 3k5eA1 MET 228 HG2 -0.20 -0.01 -0.05 -0.04 2.63 2.33 3k5eA1 MET 228 HG3 -0.28 -0.00 -0.36 -0.04 2.56 1.87 3k5eA1 MET 228 HE3 -1.00 0.00 -0.03 -0.04 2.10 1.03 3k5eA1 ASN 229 H 0.05 0.13 0.13 -0.55 8.53 8.30 3k5eA1 ASN 229 HA 0.02 0.10 0.38 -0.75 4.76 4.51 3k5eA1 ASN 229 HB2 0.14 -0.00 0.11 -0.04 2.88 3.09 3k5eA1 ASN 229 HB3 0.07 -0.01 0.02 -0.04 2.79 2.83 3k5eA1 ASN 229 HD21 0.04 0.03 0.03 -0.04 7.03 7.09 3k5eA1 ASN 229 HD22 0.06 -0.01 0.04 -0.04 7.74 7.79 3k5eA1 ALA 230 H 0.04 0.18 0.21 -0.55 8.40 8.28 3k5eA1 ALA 230 HA 0.04 -0.00 0.36 -0.75 4.34 3.99 3k5eA1 ALA 230 HB3 0.05 0.03 0.07 -0.04 1.41 1.52 3k5eA1 TYR 231 H 0.09 0.41 -0.30 -0.55 8.29 7.94 3k5eA1 TYR 231 HA -0.04 0.07 0.10 -0.75 4.56 3.94 3k5eA1 TYR 231 HB2 -0.31 0.27 -0.08 -0.04 3.06 2.91 3k5eA1 TYR 231 HB3 -0.14 -0.07 -0.03 -0.04 2.98 2.70 3k5eA1 TYR 231 HD2 -0.51 0.00 -0.19 -0.04 7.15 6.42 3k5eA1 TYR 231 HE2 -0.15 0.00 -0.14 -0.04 6.85 6.52 3k5eA1 SER 232 H 0.07 0.08 -0.24 -0.55 8.46 7.82 3k5eA1 SER 232 HA -0.06 0.13 0.36 -0.75 4.49 4.16 3k5eA1 SER 232 HB2 0.02 0.01 0.05 -0.04 3.95 3.99 3k5eA1 SER 232 HB3 0.06 0.02 0.04 -0.04 3.93 4.01 3k5eA1 SER 233 H -0.02 0.29 -0.15 -0.55 8.46 8.04 3k5eA1 SER 233 HA -0.07 0.06 0.80 -0.75 4.49 4.53 3k5eA1 SER 233 HB2 -0.02 0.17 0.13 -0.04 3.95 4.19 3k5eA1 SER 233 HB3 -0.05 -0.05 0.12 -0.04 3.93 3.91 3k5eA1 ARG 234 H -0.03 0.37 0.01 -0.55 8.46 8.26 3k5eA1 ARG 234 HA -0.13 0.11 0.73 -0.75 4.34 4.31 3k5eA1 ARG 234 HB2 0.22 0.09 -0.03 -0.04 1.90 2.14 3k5eA1 ARG 234 HB3 -0.13 -0.11 0.06 -0.04 1.80 1.58 3k5eA1 ARG 234 HG2 -0.04 0.01 -0.07 -0.04 1.67 1.53 3k5eA1 ARG 234 HG3 0.03 -0.01 -0.02 -0.04 1.67 1.62 3k5eA1 ARG 234 HD2 0.13 0.12 -0.05 -0.04 3.22 3.37 3k5eA1 ARG 234 HD3 -0.05 -0.04 -0.05 -0.04 3.22 3.05 3k5eA1 SER 235 H -0.20 0.32 -0.03 -0.55 8.46 8.00 3k5eA1 SER 235 HA -0.05 0.19 0.84 -0.75 4.49 4.72 3k5eA1 SER 235 HB2 -0.25 -0.04 -0.06 -0.04 3.95 3.56 3k5eA1 SER 235 HB3 -0.80 -0.07 0.03 -0.04 3.93 3.06 3k5eA1 HIS 236 H 0.14 0.45 0.40 -0.55 8.41 8.85 3k5eA1 HIS 236 HA 0.02 0.35 0.92 -0.75 4.63 5.16 3k5eA1 HIS 236 HB2 0.06 -0.11 0.10 -0.04 3.26 3.28 3k5eA1 HIS 236 HB3 0.08 0.06 -0.01 -0.04 3.20 3.28 3k5eA1 HIS 236 HD2 0.01 0.07 0.06 -0.04 6.97 7.07 3k5eA1 HIS 236 HE1 0.02 0.08 -0.05 -0.04 7.75 7.75 3k5eA1 SER 237 H 0.11 0.61 0.24 -0.55 8.46 8.87 3k5eA1 SER 237 HA 0.12 0.23 1.10 -0.75 4.49 5.19 3k5eA1 SER 237 HB2 0.11 0.00 -0.06 -0.04 3.95 3.97 3k5eA1 SER 237 HB3 0.08 0.00 -0.15 -0.04 3.93 3.82 3k5eA1 VAL 238 H 0.09 0.71 0.27 -0.55 8.24 8.75 3k5eA1 VAL 238 HA 0.06 0.18 0.86 -0.75 4.13 4.48 3k5eA1 VAL 238 HB 0.03 -0.05 0.18 -0.04 2.12 2.25 3k5eA1 VAL 238 HG13 -0.00 0.01 -0.19 -0.04 0.97 0.74 3k5eA1 VAL 238 HG23 0.06 0.01 -0.22 -0.04 0.95 0.75 3k5eA1 PHE 239 H 0.18 0.75 0.24 -0.55 8.34 8.96 3k5eA1 PHE 239 HA 0.01 0.24 1.13 -0.75 4.62 5.25 3k5eA1 PHE 239 HB2 0.01 -0.05 0.09 -0.04 3.15 3.15 3k5eA1 PHE 239 HB3 0.00 0.00 0.26 -0.04 3.06 3.29 3k5eA1 PHE 239 HD2 0.01 -0.03 -0.25 -0.04 7.28 6.97 3k5eA1 PHE 239 HE2 0.00 -0.01 -0.13 -0.04 7.38 7.20 3k5eA1 PHE 239 HZ 0.00 -0.03 -0.10 -0.04 7.32 7.14 3k5eA1 SER 240 H -0.30 0.67 0.39 -0.55 8.46 8.67 3k5eA1 SER 240 HA 0.05 0.33 1.08 -0.75 4.49 5.19 3k5eA1 SER 240 HB2 -0.09 -0.07 0.10 -0.04 3.95 3.84 3k5eA1 SER 240 HB3 -0.03 0.07 -0.08 -0.04 3.93 3.85 3k5eA1 VAL 241 H 0.07 0.68 0.44 -0.55 8.24 8.88 3k5eA1 VAL 241 HA 0.05 0.30 1.07 -0.75 4.13 4.79 3k5eA1 VAL 241 HB 0.24 -0.04 -0.03 -0.04 2.12 2.24 3k5eA1 VAL 241 HG13 0.08 0.04 0.07 -0.04 0.97 1.12 3k5eA1 VAL 241 HG23 0.08 -0.00 -0.11 -0.04 0.95 0.88 3k5eA1 THR 242 H 0.03 0.58 0.35 -0.55 8.28 8.69 3k5eA1 THR 242 HA -0.02 0.35 1.09 -0.75 4.39 5.06 3k5eA1 THR 242 HB 0.06 -0.11 0.12 -0.04 4.32 4.35 3k5eA1 THR 242 HG23 -0.06 0.01 -0.15 -0.04 1.22 0.98 3k5eA1 ILE 243 H -0.05 0.78 0.30 -0.55 8.25 8.74 3k5eA1 ILE 243 HA 0.07 0.32 1.16 -0.75 4.18 4.97 3k5eA1 ILE 243 HB -0.02 0.00 0.09 -0.04 1.89 1.91 3k5eA1 ILE 243 HG12 -0.02 -0.05 -0.21 -0.04 1.49 1.18 3k5eA1 ILE 243 HG13 -0.01 -0.00 -0.22 -0.04 1.21 0.94 3k5eA1 ILE 243 HG23 0.02 -0.01 -0.15 -0.04 0.93 0.75 3k5eA1 ILE 243 HD13 -0.04 0.01 -0.19 -0.04 0.88 0.62 3k5eA1 HIS 244 H 0.22 0.56 0.32 -0.55 8.41 8.95 3k5eA1 HIS 244 HA 0.02 0.25 1.04 -0.75 4.63 5.19 3k5eA1 HIS 244 HB2 0.03 -0.07 0.19 -0.04 3.26 3.36 3k5eA1 HIS 244 HB3 0.02 0.03 -0.00 -0.04 3.20 3.21 3k5eA1 HIS 244 HD2 0.01 0.02 -0.17 -0.04 6.97 6.79 3k5eA1 HIS 244 HE1 -0.00 -0.01 -0.06 -0.04 7.75 7.63 3k5eA1 MET 245 H 0.06 0.74 0.35 -0.55 8.47 9.08 3k5eA1 MET 245 HA 0.15 0.20 1.15 -0.75 4.52 5.27 3k5eA1 MET 245 HB2 0.03 0.02 0.10 -0.04 2.15 2.25 3k5eA1 MET 245 HB3 0.05 -0.04 -0.04 -0.04 2.03 1.96 3k5eA1 MET 245 HG2 0.04 -0.02 -0.17 -0.04 2.63 2.43 3k5eA1 MET 245 HG3 0.05 -0.12 -0.54 -0.04 2.56 1.91 3k5eA1 MET 245 HE3 -0.02 0.06 -0.16 -0.04 2.10 1.94 3k5eA1 LYS 246 H 0.10 1.19 0.33 -0.55 8.42 9.49 3k5eA1 LYS 246 HA 0.04 0.37 1.04 -0.75 4.32 5.02 3k5eA1 LYS 246 HB2 0.05 -0.03 0.01 -0.04 1.87 1.86 3k5eA1 LYS 246 HB3 0.05 -0.10 0.27 -0.04 1.79 1.96 3k5eA1 LYS 246 HG2 0.03 0.02 -0.05 -0.04 1.46 1.42 3k5eA1 LYS 246 HG3 0.03 0.01 0.01 -0.04 1.46 1.48 3k5eA1 LYS 246 HD2 0.03 -0.02 -0.02 -0.04 1.69 1.63 3k5eA1 LYS 246 HD3 0.02 -0.03 -0.02 -0.04 1.68 1.62 3k5eA1 LYS 246 HE2 0.02 0.00 -0.05 -0.04 2.99 2.92 3k5eA1 LYS 246 HE3 0.02 0.01 -0.04 -0.04 2.99 2.93 3k5eA1 GLU 247 H 0.03 0.29 0.05 -0.55 8.60 8.43 3k5eA1 GLU 247 HA 0.04 0.08 0.79 -0.75 4.29 4.45 3k5eA1 GLU 247 HB2 0.02 -0.00 0.07 -0.04 2.09 2.14 3k5eA1 GLU 247 HB3 0.02 -0.06 0.13 -0.04 1.99 2.03 3k5eA1 GLU 247 HG2 0.02 0.01 -0.26 -0.04 2.34 2.06 3k5eA1 GLU 247 HG3 0.02 0.09 -0.06 -0.04 2.34 2.35 3k5eA1 THR 248 H 0.03 0.42 0.32 -0.55 8.28 8.50 3k5eA1 THR 248 HA 0.02 0.34 0.94 -0.75 4.39 4.94 3k5eA1 THR 248 HB 0.02 -0.03 0.16 -0.04 4.32 4.44 3k5eA1 THR 248 HG23 0.02 0.04 -0.14 -0.04 1.22 1.09 3k5eA1 THR 249 H 0.01 0.58 0.17 -0.55 8.28 8.50 3k5eA1 THR 249 HA 0.01 0.12 0.46 -0.75 4.39 4.23 3k5eA1 THR 249 HB 0.01 -0.03 0.18 -0.04 4.32 4.44 3k5eA1 THR 249 HG23 0.01 0.10 0.02 -0.04 1.22 1.30 3k5eA1 ILE 250 H 0.01 0.15 0.20 -0.55 8.25 8.07 3k5eA1 ILE 250 HA 0.01 0.19 0.49 -0.75 4.18 4.12 3k5eA1 ILE 250 HB 0.01 -0.00 0.06 -0.04 1.89 1.92 3k5eA1 ILE 250 HG12 0.01 -0.09 0.19 -0.04 1.49 1.56 3k5eA1 ILE 250 HG13 0.01 0.03 0.08 -0.04 1.21 1.29 3k5eA1 ILE 250 HG23 0.01 0.02 0.10 -0.04 0.93 1.01 3k5eA1 ILE 250 HD13 0.01 0.03 0.04 -0.04 0.88 0.92 3k5eA1 ASP 251 H 0.01 -0.02 -0.27 -0.55 8.40 7.58 3k5eA1 ASP 251 HA 0.01 0.21 0.69 -0.75 4.63 4.78 3k5eA1 ASP 251 HB2 0.01 -0.05 0.01 -0.04 2.71 2.63 3k5eA1 ASP 251 HB3 0.01 0.06 0.13 -0.04 2.70 2.85 3k5eA1 GLY 252 H 0.01 0.43 -0.54 -0.55 8.43 7.78 3k5eA1 GLY 252 HA2 0.01 0.10 0.19 -0.51 4.01 3.81 3k5eA1 GLY 252 HA3 0.01 0.08 0.37 -0.51 4.01 3.95 3k5eA1 GLU 253 H 0.01 -0.11 -0.31 -0.55 8.60 7.65 3k5eA1 GLU 253 HA 0.01 0.13 0.60 -0.75 4.29 4.27 3k5eA1 GLU 253 HB2 0.01 -0.09 0.01 -0.04 2.09 1.98 3k5eA1 GLU 253 HB3 0.01 0.08 -0.00 -0.04 1.99 2.03 3k5eA1 GLU 253 HG2 0.01 0.08 -0.04 -0.04 2.34 2.34 3k5eA1 GLU 253 HG3 0.01 -0.08 -0.16 -0.04 2.34 2.07 3k5eA1 GLU 254 H 0.01 0.16 0.17 -0.55 8.60 8.40 3k5eA1 GLU 254 HA 0.01 0.41 1.15 -0.75 4.29 5.11 3k5eA1 GLU 254 HB2 0.01 0.05 -0.03 -0.04 2.09 2.08 3k5eA1 GLU 254 HB3 0.01 0.01 -0.05 -0.04 1.99 1.92 3k5eA1 GLU 254 HG2 0.01 -0.00 0.04 -0.04 2.34 2.35 3k5eA1 GLU 254 HG3 0.01 -0.06 0.20 -0.04 2.34 2.45 3k5eA1 LEU 255 H 0.01 0.77 0.28 -0.55 8.37 8.89 3k5eA1 LEU 255 HA 0.00 0.14 0.99 -0.75 4.35 4.73 3k5eA1 LEU 255 HB2 0.01 -0.06 0.08 -0.04 1.64 1.62 3k5eA1 LEU 255 HB3 -0.00 0.07 -0.01 -0.04 1.64 1.66 3k5eA1 LEU 255 HG 0.00 0.03 -0.05 -0.04 1.64 1.58 3k5eA1 LEU 255 HD13 0.00 -0.02 -0.30 -0.04 0.93 0.57 3k5eA1 LEU 255 HD23 0.01 0.02 -0.08 -0.04 0.89 0.80 3k5eA1 VAL 256 H 0.00 0.18 0.14 -0.55 8.24 8.02 3k5eA1 VAL 256 HA 0.02 0.38 1.09 -0.75 4.13 4.86 3k5eA1 VAL 256 HB 0.01 -0.04 0.20 -0.04 2.12 2.24 3k5eA1 VAL 256 HG13 0.03 -0.01 -0.11 -0.04 0.97 0.85 3k5eA1 VAL 256 HG23 0.02 -0.01 -0.04 -0.04 0.95 0.89 3k5eA1 LYS 257 H 0.01 0.57 0.27 -0.55 8.42 8.72 3k5eA1 LYS 257 HA -0.04 0.16 0.88 -0.75 4.32 4.57 3k5eA1 LYS 257 HB2 -0.02 -0.02 -0.01 -0.04 1.87 1.78 3k5eA1 LYS 257 HB3 -0.04 0.10 -0.09 -0.04 1.79 1.72 3k5eA1 LYS 257 HG2 -0.03 0.06 -0.16 -0.04 1.46 1.29 3k5eA1 LYS 257 HG3 -0.01 -0.17 -0.41 -0.04 1.46 0.84 3k5eA1 LYS 257 HD2 -0.02 0.18 -0.05 -0.04 1.69 1.76 3k5eA1 LYS 257 HD3 -0.01 -0.09 -0.06 -0.04 1.68 1.48 3k5eA1 LYS 257 HE2 0.00 -0.12 -0.07 -0.04 2.99 2.76 3k5eA1 LYS 257 HE3 -0.01 0.08 -0.03 -0.04 2.99 2.99 3k5eA1 ILE 258 H -0.08 0.28 0.18 -0.55 8.25 8.08 3k5eA1 ILE 258 HA -0.18 0.36 0.98 -0.75 4.18 4.58 3k5eA1 ILE 258 HB -0.12 -0.01 0.14 -0.04 1.89 1.85 3k5eA1 ILE 258 HG12 -0.34 0.00 0.05 -0.04 1.49 1.16 3k5eA1 ILE 258 HG13 -0.06 -0.06 -0.38 -0.04 1.21 0.67 3k5eA1 ILE 258 HG23 -0.36 -0.01 -0.17 -0.04 0.93 0.34 3k5eA1 ILE 258 HD13 0.01 -0.02 -0.05 -0.04 0.88 0.78 3k5eA1 GLY 259 H -0.09 0.43 0.28 -0.55 8.43 8.50 3k5eA1 GLY 259 HA2 -0.04 0.22 0.81 -0.51 4.01 4.49 3k5eA1 GLY 259 HA3 -0.02 0.31 0.42 -0.51 4.01 4.21 3k5eA1 LYS 260 H -0.00 0.43 0.33 -0.55 8.42 8.62 3k5eA1 LYS 260 HA -0.01 0.35 1.10 -0.75 4.32 5.01 3k5eA1 LYS 260 HB2 -0.03 -0.01 -0.11 -0.04 1.87 1.68 3k5eA1 LYS 260 HB3 -0.01 -0.08 0.06 -0.04 1.79 1.72 3k5eA1 LYS 260 HG2 -0.00 0.00 -0.01 -0.04 1.46 1.41 3k5eA1 LYS 260 HG3 -0.01 -0.00 -0.04 -0.04 1.46 1.36 3k5eA1 LYS 260 HD2 -0.01 -0.00 -0.09 -0.04 1.69 1.54 3k5eA1 LYS 260 HD3 -0.01 -0.03 -0.14 -0.04 1.68 1.46 3k5eA1 LYS 260 HE2 -0.01 -0.04 -0.14 -0.04 2.99 2.75 3k5eA1 LYS 260 HE3 -0.01 -0.00 -0.15 -0.04 2.99 2.79 3k5eA1 LEU 261 H 0.02 0.57 0.37 -0.55 8.37 8.79 3k5eA1 LEU 261 HA 0.01 0.47 0.97 -0.75 4.35 5.04 3k5eA1 LEU 261 HB2 0.02 0.06 -0.09 -0.04 1.64 1.59 3k5eA1 LEU 261 HB3 0.04 -0.07 0.09 -0.04 1.64 1.66 3k5eA1 LEU 261 HG 0.04 -0.04 -0.32 -0.04 1.64 1.28 3k5eA1 LEU 261 HD13 0.00 0.02 -0.21 -0.04 0.93 0.70 3k5eA1 LEU 261 HD23 0.04 -0.02 -0.12 -0.04 0.89 0.75 3k5eA1 ASN 262 H -0.03 0.64 0.44 -0.55 8.53 9.04 3k5eA1 ASN 262 HA 0.02 0.19 0.98 -0.75 4.76 5.20 3k5eA1 ASN 262 HB2 -0.12 -0.03 0.12 -0.04 2.88 2.81 3k5eA1 ASN 262 HB3 -0.05 -0.04 -0.06 -0.04 2.79 2.60 3k5eA1 ASN 262 HD21 -0.02 0.01 -0.15 -0.04 7.03 6.83 3k5eA1 ASN 262 HD22 -0.05 -0.00 -0.11 -0.04 7.74 7.53 3k5eA1 LEU 263 H 0.10 0.87 0.31 -0.55 8.37 9.10 3k5eA1 LEU 263 HA -0.03 0.22 1.04 -0.75 4.35 4.82 3k5eA1 LEU 263 HB2 0.08 -0.04 0.25 -0.04 1.64 1.88 3k5eA1 LEU 263 HB3 -0.01 -0.02 0.06 -0.04 1.64 1.63 3k5eA1 LEU 263 HG 0.07 0.02 -0.26 -0.04 1.64 1.43 3k5eA1 LEU 263 HD13 -0.03 -0.02 -0.09 -0.04 0.93 0.75 3k5eA1 LEU 263 HD23 -0.00 0.02 -0.09 -0.04 0.89 0.78 3k5eA1 VAL 264 H -0.08 0.84 0.37 -0.55 8.24 8.81 3k5eA1 VAL 264 HA 0.04 0.35 1.01 -0.75 4.13 4.78 3k5eA1 VAL 264 HB -0.15 -0.05 0.15 -0.04 2.12 2.03 3k5eA1 VAL 264 HG13 0.18 -0.01 -0.20 -0.04 0.97 0.89 3k5eA1 VAL 264 HG23 -0.31 0.02 -0.22 -0.04 0.95 0.40 3k5eA1 ASP 265 H 0.09 0.55 0.32 -0.55 8.40 8.81 3k5eA1 ASP 265 HA 0.08 0.09 0.90 -0.75 4.63 4.94 3k5eA1 ASP 265 HB2 0.04 -0.01 0.02 -0.04 2.71 2.73 3k5eA1 ASP 265 HB3 0.05 -0.06 0.22 -0.04 2.70 2.87 3k5eA1 LEU 266 H 0.14 0.37 0.18 -0.55 8.37 8.51 3k5eA1 LEU 266 HA 0.25 -0.07 0.55 -0.75 4.35 4.33 3k5eA1 LEU 266 HB2 0.08 0.11 0.19 -0.04 1.64 1.98 3k5eA1 LEU 266 HB3 0.19 -0.01 0.10 -0.04 1.64 1.88 3k5eA1 LEU 266 HG 0.39 0.01 0.01 -0.04 1.64 2.01 3k5eA1 LEU 266 HD13 0.23 -0.00 -0.06 -0.04 0.93 1.05 3k5eA1 LEU 266 HD23 0.42 -0.02 -0.09 -0.04 0.89 1.16 3k5eA1 ALA 267 H -0.55 -0.07 0.09 -0.55 8.40 7.32 3k5eA1 ALA 267 HA -0.25 0.21 0.46 -0.75 4.34 4.00 3k5eA1 ALA 267 HB3 -0.51 -0.01 -0.06 -0.04 1.41 0.79 3k5eA1 GLY 268 H -0.15 0.55 0.37 -0.55 8.43 8.65 3k5eA1 GLY 268 HA2 -0.19 0.18 0.51 -0.51 4.01 3.99 3k5eA1 GLY 268 HA3 -0.13 -0.17 0.49 -0.51 4.01 3.69 3k5eA1 SER 269 H -0.32 0.36 0.05 -0.55 8.46 8.01 3k5eA1 SER 269 HA -0.24 0.19 0.40 -0.75 4.49 4.09 3k5eA1 SER 269 HB2 -0.32 0.04 0.05 -0.04 3.95 3.68 3k5eA1 SER 269 HB3 -1.13 0.02 0.03 -0.04 3.93 2.81 3k5eA1 GLU 270 H -0.12 -0.08 -0.36 -0.55 8.60 7.49 3k5eA1 GLU 270 HA -0.06 0.02 0.34 -0.75 4.29 3.84 3k5eA1 GLU 270 HB2 -0.04 0.09 0.07 -0.04 2.09 2.17 3k5eA1 GLU 270 HB3 -0.06 -0.13 0.11 -0.04 1.99 1.88 3k5eA1 GLU 270 HG2 -0.05 0.10 -0.11 -0.04 2.34 2.23 3k5eA1 GLU 270 HG3 -0.04 0.03 -0.02 -0.04 2.34 2.28 3k5eA1 ASN 271 H -0.02 0.08 0.08 -0.55 8.53 8.12 3k5eA1 ASN 271 HA -0.02 0.36 0.91 -0.75 4.76 5.26 3k5eA1 ASN 271 HB2 -0.00 0.05 -0.02 -0.04 2.88 2.87 3k5eA1 ASN 271 HB3 0.00 -0.02 0.09 -0.04 2.79 2.82 3k5eA1 ASN 271 HD21 0.00 0.01 0.03 -0.04 7.03 7.03 3k5eA1 ASN 271 HD22 0.00 -0.03 0.04 -0.04 7.74 7.71 3k5eA1 ASN 287 HA -0.01 -0.09 0.26 -0.75 4.76 4.16 3k5eA1 ASN 287 HB2 -0.01 -0.01 0.05 -0.04 2.88 2.87 3k5eA1 ASN 287 HB3 -0.01 -0.02 0.08 -0.04 2.79 2.79 3k5eA1 ASN 287 HD21 -0.18 -0.07 -0.03 -0.04 7.03 6.71 3k5eA1 ASN 287 HD22 -0.07 -0.00 0.01 -0.04 7.74 7.64 3k5eA1 ILE 288 H -0.02 0.10 0.14 -0.55 8.25 7.92 3k5eA1 ILE 288 HA -0.01 0.18 0.84 -0.75 4.18 4.43 3k5eA1 ILE 288 HB -0.00 0.00 0.06 -0.04 1.89 1.91 3k5eA1 ILE 288 HG12 -0.01 -0.01 0.09 -0.04 1.49 1.52 3k5eA1 ILE 288 HG13 -0.00 -0.15 -0.24 -0.04 1.21 0.78 3k5eA1 ILE 288 HG23 -0.00 0.03 -0.00 -0.04 0.93 0.91 3k5eA1 ILE 288 HD13 0.00 0.02 -0.00 -0.04 0.88 0.86 3k5eA1 ASN 289 H -0.00 0.24 0.05 -0.55 8.53 8.27 3k5eA1 ASN 289 HA -0.02 0.17 0.95 -0.75 4.76 5.12 3k5eA1 ASN 289 HB2 -0.03 0.18 0.04 -0.04 2.88 3.03 3k5eA1 ASN 289 HB3 0.03 -0.03 0.23 -0.04 2.79 2.97 3k5eA1 ASN 289 HD21 -0.11 0.19 0.13 -0.04 7.03 7.20 3k5eA1 ASN 289 HD22 -0.10 0.08 0.09 -0.04 7.74 7.77 3k5eA1 GLN 290 H -0.00 0.32 -0.07 -0.55 8.47 8.17 3k5eA1 GLN 290 HA 0.01 0.10 0.37 -0.75 4.36 4.09 3k5eA1 GLN 290 HB2 -0.00 0.08 0.11 -0.04 2.15 2.30 3k5eA1 GLN 290 HB3 0.00 -0.10 0.12 -0.04 2.02 2.00 3k5eA1 GLN 290 HG2 0.00 0.07 0.07 -0.04 2.40 2.50 3k5eA1 GLN 290 HG3 0.00 -0.01 -0.03 -0.04 2.39 2.30 3k5eA1 GLN 290 HE21 0.01 -0.04 0.03 -0.04 6.97 6.92 3k5eA1 GLN 290 HE22 0.01 0.43 0.09 -0.04 7.69 8.18 3k5eA1 SER 291 H 0.03 0.08 -0.18 -0.55 8.46 7.85 3k5eA1 SER 291 HA -0.03 0.07 0.45 -0.75 4.49 4.23 3k5eA1 SER 291 HB2 -0.10 0.06 0.08 -0.04 3.95 3.95 3k5eA1 SER 291 HB3 -0.36 0.08 -0.02 -0.04 3.93 3.59 3k5eA1 LEU 292 H 0.14 0.08 -0.17 -0.55 8.37 7.88 3k5eA1 LEU 292 HA 0.14 0.09 0.53 -0.75 4.35 4.35 3k5eA1 LEU 292 HB2 0.21 -0.04 0.09 -0.04 1.64 1.85 3k5eA1 LEU 292 HB3 0.07 0.06 0.10 -0.04 1.64 1.83 3k5eA1 LEU 292 HG 0.07 -0.02 -0.09 -0.04 1.64 1.56 3k5eA1 LEU 292 HD13 0.14 -0.01 -0.01 -0.04 0.93 1.00 3k5eA1 LEU 292 HD23 -0.06 0.01 -0.12 -0.04 0.89 0.68 3k5eA1 LEU 293 H 0.05 0.70 -0.02 -0.55 8.37 8.56 3k5eA1 LEU 293 HA 0.06 0.06 0.40 -0.75 4.35 4.11 3k5eA1 LEU 293 HB2 0.02 0.04 0.08 -0.04 1.64 1.74 3k5eA1 LEU 293 HB3 0.02 0.01 -0.03 -0.04 1.64 1.61 3k5eA1 LEU 293 HG 0.02 -0.01 -0.01 -0.04 1.64 1.61 3k5eA1 LEU 293 HD13 0.01 -0.02 -0.12 -0.04 0.93 0.76 3k5eA1 LEU 293 HD23 0.03 0.01 -0.00 -0.04 0.89 0.89 3k5eA1 THR 294 H 0.02 0.49 -0.24 -0.55 8.28 8.00 3k5eA1 THR 294 HA -0.00 0.04 0.33 -0.75 4.39 4.00 3k5eA1 THR 294 HB 0.00 -0.07 0.02 -0.04 4.32 4.23 3k5eA1 THR 294 HG23 -0.01 -0.04 -0.18 -0.04 1.22 0.96 3k5eA1 LEU 295 H 0.03 0.41 -0.30 -0.55 8.37 7.97 3k5eA1 LEU 295 HA 0.01 0.02 0.35 -0.75 4.35 3.97 3k5eA1 LEU 295 HB2 0.02 -0.03 0.07 -0.04 1.64 1.67 3k5eA1 LEU 295 HB3 0.10 0.11 0.14 -0.04 1.64 1.95 3k5eA1 LEU 295 HG 0.04 0.03 -0.30 -0.04 1.64 1.36 3k5eA1 LEU 295 HD13 -0.10 -0.01 -0.09 -0.04 0.93 0.69 3k5eA1 LEU 295 HD23 0.02 -0.01 -0.08 -0.04 0.89 0.77 3k5eA1 GLY 296 H 0.12 0.43 -0.17 -0.55 8.43 8.27 3k5eA1 GLY 296 HA2 0.05 0.04 0.41 -0.51 4.01 4.00 3k5eA1 GLY 296 HA3 0.18 0.07 0.27 -0.51 4.01 4.02 3k5eA1 ARG 297 H 0.01 0.38 -0.19 -0.55 8.46 8.11 3k5eA1 ARG 297 HA -0.04 0.03 0.52 -0.75 4.34 4.10 3k5eA1 ARG 297 HB2 -0.03 0.07 0.09 -0.04 1.90 1.98 3k5eA1 ARG 297 HB3 -0.04 -0.03 0.03 -0.04 1.80 1.73 3k5eA1 ARG 297 HG2 -0.00 -0.03 0.01 -0.04 1.67 1.60 3k5eA1 ARG 297 HG3 0.01 0.17 0.08 -0.04 1.67 1.88 3k5eA1 ARG 297 HD2 0.00 -0.03 -0.16 -0.04 3.22 2.99 3k5eA1 ARG 297 HD3 -0.00 -0.02 -0.03 -0.04 3.22 3.12 3k5eA1 VAL 298 H -0.07 0.65 -0.15 -0.55 8.24 8.12 3k5eA1 VAL 298 HA -0.21 -0.01 0.50 -0.75 4.13 3.65 3k5eA1 VAL 298 HB -0.07 0.13 0.10 -0.04 2.12 2.23 3k5eA1 VAL 298 HG13 -0.16 0.00 -0.19 -0.04 0.97 0.58 3k5eA1 VAL 298 HG23 -0.19 -0.02 -0.22 -0.04 0.95 0.47 3k5eA1 ILE 299 H -0.11 0.41 -0.23 -0.55 8.25 7.77 3k5eA1 ILE 299 HA -0.12 0.08 0.36 -0.75 4.18 3.74 3k5eA1 ILE 299 HB -0.26 0.06 0.13 -0.04 1.89 1.77 3k5eA1 ILE 299 HG12 -0.16 0.03 -0.04 -0.04 1.49 1.28 3k5eA1 ILE 299 HG13 -0.12 0.06 -0.02 -0.04 1.21 1.08 3k5eA1 ILE 299 HG23 -0.29 0.01 -0.18 -0.04 0.93 0.43 3k5eA1 ILE 299 HD13 -0.24 -0.03 -0.12 -0.04 0.88 0.44 3k5eA1 THR 300 H -0.12 0.46 -0.15 -0.55 8.28 7.93 3k5eA1 THR 300 HA -0.10 0.03 0.43 -0.75 4.39 4.00 3k5eA1 THR 300 HB -0.07 0.06 0.18 -0.04 4.32 4.46 3k5eA1 THR 300 HG23 -0.04 -0.02 -0.06 -0.04 1.22 1.06 3k5eA1 ALA 301 H -0.10 0.53 -0.14 -0.55 8.40 8.15 3k5eA1 ALA 301 HA -0.07 -0.06 0.42 -0.75 4.34 3.88 3k5eA1 ALA 301 HB3 -0.13 0.04 0.10 -0.04 1.41 1.38 3k5eA1 LEU 302 H -0.11 0.51 -0.19 -0.55 8.37 8.03 3k5eA1 LEU 302 HA -0.05 0.09 0.50 -0.75 4.35 4.13 3k5eA1 LEU 302 HB2 -0.07 0.03 0.07 -0.04 1.64 1.63 3k5eA1 LEU 302 HB3 -0.03 -0.02 0.05 -0.04 1.64 1.60 3k5eA1 LEU 302 HG -0.13 0.01 0.01 -0.04 1.64 1.49 3k5eA1 LEU 302 HD13 0.02 -0.01 -0.23 -0.04 0.93 0.67 3k5eA1 LEU 302 HD23 0.03 0.01 -0.01 -0.04 0.89 0.88 3k5eA1 VAL 303 H -0.08 0.43 -0.21 -0.55 8.24 7.83 3k5eA1 VAL 303 HA -0.05 0.28 0.74 -0.75 4.13 4.35 3k5eA1 VAL 303 HB -0.07 -0.05 0.07 -0.04 2.12 2.04 3k5eA1 VAL 303 HG13 -0.10 0.06 -0.15 -0.04 0.97 0.74 3k5eA1 VAL 303 HG23 -0.08 -0.01 0.02 -0.04 0.95 0.84 3k5eA1 GLU 304 H -0.05 0.59 0.05 -0.55 8.60 8.64 3k5eA1 GLU 304 HA -0.03 0.08 0.64 -0.75 4.29 4.23 3k5eA1 GLU 304 HB2 -0.04 0.09 0.12 -0.04 2.09 2.22 3k5eA1 GLU 304 HB3 -0.02 -0.09 0.15 -0.04 1.99 1.99 3k5eA1 GLU 304 HG2 -0.03 -0.03 0.04 -0.04 2.34 2.28 3k5eA1 GLU 304 HG3 -0.04 0.03 0.03 -0.04 2.34 2.31 3k5eA1 ARG 305 H -0.04 0.15 -0.78 -0.55 8.46 7.24 3k5eA1 ARG 305 HA -0.02 0.12 0.22 -0.75 4.34 3.91 3k5eA1 ARG 305 HB2 -0.02 0.08 -0.17 -0.04 1.90 1.76 3k5eA1 ARG 305 HB3 -0.01 -0.09 0.14 -0.04 1.80 1.80 3k5eA1 ARG 305 HG2 -0.02 0.15 -0.23 -0.04 1.67 1.53 3k5eA1 ARG 305 HG3 -0.02 -0.11 -0.05 -0.04 1.67 1.46 3k5eA1 ARG 305 HD2 -0.02 0.06 0.07 -0.04 3.22 3.30 3k5eA1 ARG 305 HD3 -0.02 0.12 0.09 -0.04 3.22 3.37 3k5eA1 THR 306 H -0.03 0.20 -0.28 -0.55 8.28 7.62 3k5eA1 THR 306 HA -0.01 0.02 0.36 -0.75 4.39 4.01 3k5eA1 THR 306 HB -0.04 0.02 0.10 -0.04 4.32 4.36 3k5eA1 THR 306 HG23 0.01 -0.06 -0.03 -0.04 1.22 1.10 3k5eA1 PRO 307 HA 0.02 0.15 0.48 -0.51 4.44 4.58 3k5eA1 PRO 307 HB2 0.04 -0.03 -0.01 -0.04 2.28 2.24 3k5eA1 PRO 307 HB3 0.02 0.04 0.13 -0.04 2.02 2.16 3k5eA1 PRO 307 HG2 0.04 -0.07 0.11 -0.04 2.03 2.07 3k5eA1 PRO 307 HG3 0.02 0.02 0.09 -0.04 2.03 2.11 3k5eA1 PRO 307 HD2 0.01 0.04 0.23 -0.04 3.68 3.92 3k5eA1 PRO 307 HD3 0.01 0.20 0.19 -0.04 3.65 4.00 3k5eA1 HIS 308 H 0.09 0.08 -0.13 -0.55 8.41 7.90 3k5eA1 HIS 308 HA -0.02 0.18 0.92 -0.75 4.63 4.96 3k5eA1 HIS 308 HB2 -0.01 -0.01 -0.02 -0.04 3.26 3.18 3k5eA1 HIS 308 HB3 -0.02 -0.02 0.07 -0.04 3.20 3.18 3k5eA1 HIS 308 HD2 -0.03 -0.01 -0.16 -0.04 6.97 6.72 3k5eA1 HIS 308 HE1 0.01 -0.02 -0.09 -0.04 7.75 7.60 3k5eA1 VAL 309 H -0.32 0.22 0.10 -0.55 8.24 7.69 3k5eA1 VAL 309 HA -0.36 0.23 0.86 -0.75 4.13 4.11 3k5eA1 VAL 309 HB -0.42 -0.02 0.13 -0.04 2.12 1.77 3k5eA1 VAL 309 HG13 -0.96 -0.02 -0.08 -0.04 0.97 -0.13 3k5eA1 VAL 309 HG23 -0.16 0.04 -0.26 -0.04 0.95 0.54 3k5eA1 PRO 310 HA -0.25 0.07 0.18 -0.51 4.44 3.93 3k5eA1 PRO 310 HB2 -0.06 -0.06 0.13 -0.04 2.28 2.25 3k5eA1 PRO 310 HB3 -0.04 0.05 0.00 -0.04 2.02 1.99 3k5eA1 PRO 310 HG2 -0.13 0.01 -0.16 -0.04 2.03 1.70 3k5eA1 PRO 310 HG3 -0.08 0.06 -0.05 -0.04 2.03 1.91 3k5eA1 PRO 310 HD2 -0.28 0.15 0.08 -0.04 3.68 3.58 3k5eA1 PRO 310 HD3 -0.24 0.31 0.13 -0.04 3.65 3.81 3k5eA1 TYR 311 H -0.43 0.53 -0.34 -0.55 8.29 7.50 3k5eA1 TYR 311 HA -0.03 0.01 0.26 -0.75 4.56 4.05 3k5eA1 TYR 311 HB2 -0.03 -0.04 0.07 -0.04 3.06 3.02 3k5eA1 TYR 311 HB3 -0.01 0.07 -0.12 -0.04 2.98 2.87 3k5eA1 TYR 311 HD2 -0.03 -0.05 0.04 -0.04 7.15 7.07 3k5eA1 TYR 311 HE2 -0.02 0.02 0.05 -0.04 6.85 6.86 3k5eA1 ARG 312 H 0.10 0.15 -0.28 -0.55 8.46 7.87 3k5eA1 ARG 312 HA 0.06 0.08 0.17 -0.75 4.34 3.89 3k5eA1 ARG 312 HB2 0.09 0.02 0.03 -0.04 1.90 2.00 3k5eA1 ARG 312 HB3 0.07 0.02 -0.08 -0.04 1.80 1.77 3k5eA1 ARG 312 HG2 0.03 -0.01 0.01 -0.04 1.67 1.67 3k5eA1 ARG 312 HG3 0.04 0.01 0.00 -0.04 1.67 1.68 3k5eA1 ARG 312 HD2 0.06 0.01 -0.03 -0.04 3.22 3.21 3k5eA1 ARG 312 HD3 0.03 -0.01 -0.02 -0.04 3.22 3.17 3k5eA1 GLU 313 H 0.03 0.53 -0.57 -0.55 8.60 8.04 3k5eA1 GLU 313 HA 0.02 0.10 0.44 -0.75 4.29 4.10 3k5eA1 GLU 313 HB2 0.00 0.14 0.06 -0.04 2.09 2.25 3k5eA1 GLU 313 HB3 0.01 -0.07 0.12 -0.04 1.99 2.01 3k5eA1 GLU 313 HG2 0.04 -0.01 -0.08 -0.04 2.34 2.25 3k5eA1 GLU 313 HG3 0.04 -0.04 -0.04 -0.04 2.34 2.26 3k5eA1 SER 314 H 0.02 0.46 -0.28 -0.55 8.46 8.12 3k5eA1 SER 314 HA -0.00 0.14 0.34 -0.75 4.49 4.22 3k5eA1 SER 314 HB2 -0.02 -0.20 -0.03 -0.04 3.95 3.66 3k5eA1 SER 314 HB3 -0.00 0.24 -0.30 -0.04 3.93 3.83 3k5eA1 LYS 315 H -0.01 0.15 0.07 -0.55 8.42 8.07 3k5eA1 LYS 315 HA -0.02 0.17 0.35 -0.75 4.32 4.07 3k5eA1 LYS 315 HB2 -0.02 -0.13 0.03 -0.04 1.87 1.71 3k5eA1 LYS 315 HB3 -0.02 0.06 -0.11 -0.04 1.79 1.68 3k5eA1 LYS 315 HG2 -0.02 -0.04 0.05 -0.04 1.46 1.41 3k5eA1 LYS 315 HG3 -0.02 0.05 -0.17 -0.04 1.46 1.27 3k5eA1 LYS 315 HD2 -0.05 -0.03 -0.08 -0.04 1.69 1.49 3k5eA1 LYS 315 HD3 -0.04 0.01 -0.06 -0.04 1.68 1.54 3k5eA1 LYS 315 HE2 -0.07 -0.00 -0.05 -0.04 2.99 2.83 3k5eA1 LYS 315 HE3 -0.09 -0.04 0.00 -0.04 2.99 2.83 3k5eA1 LEU 316 H -0.05 0.01 -0.19 -0.55 8.37 7.59 3k5eA1 LEU 316 HA -0.02 0.11 0.19 -0.75 4.35 3.88 3k5eA1 LEU 316 HB2 -0.25 -0.06 0.01 -0.04 1.64 1.29 3k5eA1 LEU 316 HB3 -0.11 0.00 0.02 -0.04 1.64 1.52 3k5eA1 LEU 316 HG 0.05 0.06 -0.33 -0.04 1.64 1.39 3k5eA1 LEU 316 HD13 -0.00 0.00 -0.12 -0.04 0.93 0.77 3k5eA1 LEU 316 HD23 -0.16 0.02 -0.15 -0.04 0.89 0.56 3k5eA1 THR 317 H 0.01 0.04 -0.22 -0.55 8.28 7.56 3k5eA1 THR 317 HA 0.11 0.07 0.26 -0.75 4.39 4.08 3k5eA1 THR 317 HB 0.19 0.03 -0.00 -0.04 4.32 4.49 3k5eA1 THR 317 HG23 0.04 0.00 -0.21 -0.04 1.22 1.01 3k5eA1 ARG 318 H 0.04 0.30 -0.41 -0.55 8.46 7.83 3k5eA1 ARG 318 HA 0.02 0.07 0.49 -0.75 4.34 4.17 3k5eA1 ARG 318 HB2 0.01 0.06 0.05 -0.04 1.90 1.97 3k5eA1 ARG 318 HB3 0.00 -0.04 -0.16 -0.04 1.80 1.56 3k5eA1 ARG 318 HG2 0.03 -0.05 -0.14 -0.04 1.67 1.47 3k5eA1 ARG 318 HG3 0.05 0.15 -0.19 -0.04 1.67 1.64 3k5eA1 ARG 318 HD2 0.02 0.06 -0.05 -0.04 3.22 3.22 3k5eA1 ARG 318 HD3 0.00 -0.03 -0.19 -0.04 3.22 2.95 3k5eA1 ILE 319 H 0.01 0.46 -0.13 -0.55 8.25 8.04 3k5eA1 ILE 319 HA -0.00 0.03 0.40 -0.75 4.18 3.86 3k5eA1 ILE 319 HB 0.02 0.06 0.11 -0.04 1.89 2.04 3k5eA1 ILE 319 HG12 0.00 -0.05 -0.08 -0.04 1.49 1.31 3k5eA1 ILE 319 HG13 -0.00 0.02 -0.06 -0.04 1.21 1.12 3k5eA1 ILE 319 HG23 0.01 -0.02 -0.18 -0.04 0.93 0.69 3k5eA1 ILE 319 HD13 0.00 -0.04 -0.20 -0.04 0.88 0.60 3k5eA1 LEU 320 H 0.05 0.42 -0.25 -0.55 8.37 8.04 3k5eA1 LEU 320 HA 0.02 0.18 0.59 -0.75 4.35 4.39 3k5eA1 LEU 320 HB2 0.17 0.06 -0.09 -0.04 1.64 1.75 3k5eA1 LEU 320 HB3 0.17 -0.04 0.00 -0.04 1.64 1.73 3k5eA1 LEU 320 HG 0.05 -0.04 -0.22 -0.04 1.64 1.39 3k5eA1 LEU 320 HD13 0.15 -0.02 -0.15 -0.04 0.93 0.87 3k5eA1 LEU 320 HD23 -0.03 0.02 -0.18 -0.04 0.89 0.65 3k5eA1 GLN 321 H -0.04 0.30 -0.46 -0.55 8.47 7.72 3k5eA1 GLN 321 HA -0.08 0.01 0.20 -0.75 4.36 3.74 3k5eA1 GLN 321 HB2 -1.24 -0.03 0.05 -0.04 2.15 0.89 3k5eA1 GLN 321 HB3 -0.29 0.22 0.19 -0.04 2.02 2.10 3k5eA1 GLN 321 HG2 -0.15 0.11 0.02 -0.04 2.40 2.34 3k5eA1 GLN 321 HG3 -0.26 -0.05 -0.10 -0.04 2.39 1.93 3k5eA1 GLN 321 HE21 -0.05 -0.21 -0.01 -0.04 6.97 6.65 3k5eA1 GLN 321 HE22 -0.07 0.22 0.02 -0.04 7.69 7.83 3k5eA1 ASP 322 H -0.09 0.15 -0.33 -0.55 8.40 7.59 3k5eA1 ASP 322 HA -0.07 0.10 0.53 -0.75 4.63 4.44 3k5eA1 ASP 322 HB2 -0.05 0.10 0.03 -0.04 2.71 2.75 3k5eA1 ASP 322 HB3 -0.02 0.03 -0.08 -0.04 2.70 2.59 3k5eA1 SER 323 H 0.04 0.84 -0.16 -0.55 8.46 8.63 3k5eA1 SER 323 HA 0.07 0.10 0.51 -0.75 4.49 4.41 3k5eA1 SER 323 HB2 0.19 0.09 -0.02 -0.04 3.95 4.17 3k5eA1 SER 323 HB3 0.18 -0.05 0.01 -0.04 3.93 4.04 3k5eA1 LEU 324 H 0.07 0.41 -0.69 -0.55 8.37 7.62 3k5eA1 LEU 324 HA 0.11 0.16 0.80 -0.75 4.35 4.66 3k5eA1 LEU 324 HB2 0.32 0.03 0.04 -0.04 1.64 2.00 3k5eA1 LEU 324 HB3 0.14 0.01 -0.05 -0.04 1.64 1.70 3k5eA1 LEU 324 HG 0.21 -0.06 -0.61 -0.04 1.64 1.13 3k5eA1 LEU 324 HD13 0.15 -0.03 -0.20 -0.04 0.93 0.80 3k5eA1 LEU 324 HD23 -0.04 0.02 -0.15 -0.04 0.89 0.68 3k5eA1 GLY 325 H 0.07 0.16 -0.14 -0.55 8.43 7.98 3k5eA1 GLY 325 HA2 0.05 0.31 0.39 -0.51 4.01 4.24 3k5eA1 GLY 325 HA3 0.09 0.05 0.56 -0.51 4.01 4.20 3k5eA1 GLY 326 H 0.04 0.10 -0.13 -0.55 8.43 7.90 3k5eA1 GLY 326 HA2 0.00 0.19 0.79 -0.51 4.01 4.49 3k5eA1 GLY 326 HA3 -0.01 -0.06 0.43 -0.51 4.01 3.86 3k5eA1 ARG 327 H 0.00 0.11 0.17 -0.55 8.46 8.19 3k5eA1 ARG 327 HA 0.03 0.03 0.64 -0.75 4.34 4.29 3k5eA1 ARG 327 HB2 0.01 -0.00 0.12 -0.04 1.90 1.99 3k5eA1 ARG 327 HB3 0.03 0.02 0.21 -0.04 1.80 2.02 3k5eA1 ARG 327 HG2 0.02 0.02 -0.14 -0.04 1.67 1.53 3k5eA1 ARG 327 HG3 0.00 -0.01 0.03 -0.04 1.67 1.65 3k5eA1 ARG 327 HD2 0.00 -0.01 0.03 -0.04 3.22 3.20 3k5eA1 ARG 327 HD3 0.01 0.01 0.05 -0.04 3.22 3.25 3k5eA1 THR 328 H 0.02 0.25 -0.27 -0.55 8.28 7.74 3k5eA1 THR 328 HA 0.05 0.17 0.64 -0.75 4.39 4.50 3k5eA1 THR 328 HB 0.03 0.08 -0.25 -0.04 4.32 4.14 3k5eA1 THR 328 HG23 0.02 0.02 -0.53 -0.04 1.22 0.68 3k5eA1 ARG 329 H 0.03 0.41 0.33 -0.55 8.46 8.68 3k5eA1 ARG 329 HA 0.01 0.11 0.70 -0.75 4.34 4.40 3k5eA1 ARG 329 HB2 -0.06 0.02 0.14 -0.04 1.90 1.95 3k5eA1 ARG 329 HB3 -0.03 -0.04 0.22 -0.04 1.80 1.91 3k5eA1 ARG 329 HG2 -0.01 0.01 -0.30 -0.04 1.67 1.32 3k5eA1 ARG 329 HG3 -0.04 0.08 0.04 -0.04 1.67 1.71 3k5eA1 ARG 329 HD2 -0.12 0.00 0.01 -0.04 3.22 3.06 3k5eA1 ARG 329 HD3 -0.07 -0.07 -0.01 -0.04 3.22 3.03 3k5eA1 THR 330 H 0.04 0.23 0.25 -0.55 8.28 8.25 3k5eA1 THR 330 HA 0.04 0.27 1.32 -0.75 4.39 5.27 3k5eA1 THR 330 HB 0.11 -0.06 0.13 -0.04 4.32 4.47 3k5eA1 THR 330 HG23 0.10 0.04 -0.19 -0.04 1.22 1.12 3k5eA1 SER 331 H 0.09 0.55 0.47 -0.55 8.46 9.03 3k5eA1 SER 331 HA 0.08 0.37 0.97 -0.75 4.49 5.16 3k5eA1 SER 331 HB2 0.06 -0.13 0.11 -0.04 3.95 3.95 3k5eA1 SER 331 HB3 0.07 0.02 0.05 -0.04 3.93 4.03 3k5eA1 ILE 332 H 0.11 0.69 0.36 -0.55 8.25 8.85 3k5eA1 ILE 332 HA 0.24 0.10 0.99 -0.75 4.18 4.75 3k5eA1 ILE 332 HB 0.07 0.02 0.10 -0.04 1.89 2.04 3k5eA1 ILE 332 HG12 0.05 -0.05 -0.10 -0.04 1.49 1.35 3k5eA1 ILE 332 HG13 0.12 0.02 -0.31 -0.04 1.21 1.00 3k5eA1 ILE 332 HG23 0.09 -0.04 -0.25 -0.04 0.93 0.70 3k5eA1 ILE 332 HD13 -0.07 0.02 -0.11 -0.04 0.88 0.67 3k5eA1 ILE 333 H 0.15 0.98 0.33 -0.55 8.25 9.16 3k5eA1 ILE 333 HA 0.07 0.23 1.00 -0.75 4.18 4.72 3k5eA1 ILE 333 HB 0.07 -0.05 0.20 -0.04 1.89 2.07 3k5eA1 ILE 333 HG12 0.07 0.03 -0.14 -0.04 1.49 1.41 3k5eA1 ILE 333 HG13 0.08 0.01 -0.22 -0.04 1.21 1.03 3k5eA1 ILE 333 HG23 0.04 -0.02 -0.24 -0.04 0.93 0.67 3k5eA1 ILE 333 HD13 0.02 -0.02 -0.14 -0.04 0.88 0.70 3k5eA1 ALA 334 H -0.00 0.83 0.28 -0.55 8.40 8.97 3k5eA1 ALA 334 HA 0.12 0.23 0.97 -0.75 4.34 4.90 3k5eA1 ALA 334 HB3 -0.02 -0.01 0.05 -0.04 1.41 1.38 3k5eA1 THR 335 H 0.03 0.56 0.30 -0.55 8.28 8.62 3k5eA1 THR 335 HA -0.01 0.33 0.94 -0.75 4.39 4.90 3k5eA1 THR 335 HB -0.02 0.19 -0.29 -0.04 4.32 4.16 3k5eA1 THR 335 HG23 0.03 0.02 -0.37 -0.04 1.22 0.85 3k5eA1 ILE 336 H -0.05 0.62 0.40 -0.55 8.25 8.67 3k5eA1 ILE 336 HA -0.05 0.05 0.86 -0.75 4.18 4.28 3k5eA1 ILE 336 HB -0.05 -0.01 0.05 -0.04 1.89 1.85 3k5eA1 ILE 336 HG12 -0.07 0.06 -0.28 -0.04 1.49 1.16 3k5eA1 ILE 336 HG13 -0.07 -0.07 -0.18 -0.04 1.21 0.86 3k5eA1 ILE 336 HG23 -0.06 0.00 -0.29 -0.04 0.93 0.55 3k5eA1 ILE 336 HD13 -0.05 0.00 -0.21 -0.04 0.88 0.58 3k5eA1 SER 337 H -0.06 0.14 0.17 -0.55 8.46 8.17 3k5eA1 SER 337 HA -0.13 0.27 0.83 -0.75 4.49 4.70 3k5eA1 SER 337 HB2 -0.07 0.11 0.03 -0.04 3.95 3.98 3k5eA1 SER 337 HB3 -0.05 -0.02 0.09 -0.04 3.93 3.90 3k5eA1 PRO 338 HA -0.14 0.16 0.64 -0.51 4.44 4.59 3k5eA1 PRO 338 HB2 -0.75 -0.08 0.03 -0.04 2.28 1.43 3k5eA1 PRO 338 HB3 -0.41 0.10 0.08 -0.04 2.02 1.75 3k5eA1 PRO 338 HG2 -1.70 -0.10 -0.11 -0.04 2.03 0.09 3k5eA1 PRO 338 HG3 -0.90 0.14 -0.13 -0.04 2.03 1.09 3k5eA1 PRO 338 HD2 -0.30 -0.01 0.15 -0.04 3.68 3.49 3k5eA1 PRO 338 HD3 -0.29 0.45 0.17 -0.04 3.65 3.93 3k5eA1 ALA 339 H -0.07 0.07 -0.23 -0.55 8.40 7.63 3k5eA1 ALA 339 HA 0.29 0.12 0.30 -0.75 4.34 4.28 3k5eA1 ALA 339 HB3 0.11 -0.00 0.05 -0.04 1.41 1.53 3k5eA1 SER 340 H 0.13 0.24 0.21 -0.55 8.46 8.49 3k5eA1 SER 340 HA 0.06 0.15 0.50 -0.75 4.49 4.46 3k5eA1 SER 340 HB2 0.05 0.07 0.09 -0.04 3.95 4.12 3k5eA1 SER 340 HB3 0.08 0.12 0.17 -0.04 3.93 4.26 3k5eA1 LEU 341 H 0.06 0.02 -0.24 -0.55 8.37 7.66 3k5eA1 LEU 341 HA 0.03 0.15 0.39 -0.75 4.35 4.16 3k5eA1 LEU 341 HB2 0.04 -0.05 -0.02 -0.04 1.64 1.56 3k5eA1 LEU 341 HB3 0.02 0.05 0.03 -0.04 1.64 1.70 3k5eA1 LEU 341 HG 0.03 0.06 0.03 -0.04 1.64 1.71 3k5eA1 LEU 341 HD13 0.06 -0.03 0.04 -0.04 0.93 0.96 3k5eA1 LEU 341 HD23 0.02 0.02 0.00 -0.04 0.89 0.89 3k5eA1 ASN 342 H 0.03 0.32 -0.53 -0.55 8.53 7.80 3k5eA1 ASN 342 HA 0.01 0.13 0.63 -0.75 4.76 4.77 3k5eA1 ASN 342 HB2 -0.00 0.14 -0.00 -0.04 2.88 2.97 3k5eA1 ASN 342 HB3 -0.01 -0.06 0.13 -0.04 2.79 2.81 3k5eA1 ASN 342 HD21 -0.00 0.03 -0.09 -0.04 7.03 6.93 3k5eA1 ASN 342 HD22 -0.00 0.04 -0.06 -0.04 7.74 7.67 3k5eA1 LEU 343 H 0.02 0.39 -0.53 -0.55 8.37 7.71 3k5eA1 LEU 343 HA 0.03 0.07 0.27 -0.75 4.35 3.97 3k5eA1 LEU 343 HB2 0.04 0.13 0.17 -0.04 1.64 1.93 3k5eA1 LEU 343 HB3 0.03 -0.01 0.16 -0.04 1.64 1.78 3k5eA1 LEU 343 HG 0.03 -0.07 -0.26 -0.04 1.64 1.31 3k5eA1 LEU 343 HD13 0.05 -0.00 -0.03 -0.04 0.93 0.91 3k5eA1 LEU 343 HD23 0.03 0.03 0.05 -0.04 0.89 0.96 3k5eA1 GLU 344 H 0.02 0.19 -0.06 -0.55 8.60 8.21 3k5eA1 GLU 344 HA 0.03 0.10 0.35 -0.75 4.29 4.01 3k5eA1 GLU 344 HB2 0.02 0.07 0.11 -0.04 2.09 2.25 3k5eA1 GLU 344 HB3 0.01 -0.01 0.10 -0.04 1.99 2.05 3k5eA1 GLU 344 HG2 0.02 -0.02 -0.19 -0.04 2.34 2.11 3k5eA1 GLU 344 HG3 0.03 0.01 0.04 -0.04 2.34 2.37 3k5eA1 GLU 345 H 0.01 0.13 -0.21 -0.55 8.60 7.98 3k5eA1 GLU 345 HA 0.01 0.08 0.52 -0.75 4.29 4.15 3k5eA1 GLU 345 HB2 -0.01 0.07 0.07 -0.04 2.09 2.18 3k5eA1 GLU 345 HB3 -0.03 -0.06 0.05 -0.04 1.99 1.92 3k5eA1 GLU 345 HG2 -0.00 -0.01 0.03 -0.04 2.34 2.32 3k5eA1 GLU 345 HG3 -0.02 0.02 0.04 -0.04 2.34 2.35 3k5eA1 THR 346 H 0.00 0.48 -0.26 -0.55 8.28 7.96 3k5eA1 THR 346 HA -0.02 -0.02 0.51 -0.75 4.39 4.11 3k5eA1 THR 346 HB 0.01 0.15 0.15 -0.04 4.32 4.59 3k5eA1 THR 346 HG23 -0.01 -0.01 -0.13 -0.04 1.22 1.03 3k5eA1 LEU 347 H 0.03 0.63 0.01 -0.55 8.37 8.50 3k5eA1 LEU 347 HA 0.01 0.03 0.48 -0.75 4.35 4.12 3k5eA1 LEU 347 HB2 0.05 0.09 0.13 -0.04 1.64 1.88 3k5eA1 LEU 347 HB3 0.09 -0.02 -0.03 -0.04 1.64 1.63 3k5eA1 LEU 347 HG 0.06 0.12 -0.01 -0.04 1.64 1.77 3k5eA1 LEU 347 HD13 0.07 -0.01 -0.04 -0.04 0.93 0.91 3k5eA1 LEU 347 HD23 0.16 -0.02 -0.06 -0.04 0.89 0.93 3k5eA1 SER 348 H 0.03 0.51 -0.15 -0.55 8.46 8.31 3k5eA1 SER 348 HA 0.07 0.03 0.40 -0.75 4.49 4.24 3k5eA1 SER 348 HB2 0.03 0.02 0.21 -0.04 3.95 4.16 3k5eA1 SER 348 HB3 0.06 -0.00 -0.05 -0.04 3.93 3.90 3k5eA1 THR 349 H 0.04 0.62 -0.10 -0.55 8.28 8.29 3k5eA1 THR 349 HA 0.24 -0.01 0.42 -0.75 4.39 4.29 3k5eA1 THR 349 HB 0.02 0.12 0.16 -0.04 4.32 4.57 3k5eA1 THR 349 HG23 0.13 0.04 -0.14 -0.04 1.22 1.21 3k5eA1 LEU 350 H -0.05 0.49 -0.25 -0.55 8.37 8.02 3k5eA1 LEU 350 HA -0.04 0.01 0.24 -0.75 4.35 3.80 3k5eA1 LEU 350 HB2 -0.44 0.06 0.11 -0.04 1.64 1.33 3k5eA1 LEU 350 HB3 -0.78 -0.02 -0.06 -0.04 1.64 0.73 3k5eA1 LEU 350 HG -0.12 0.08 -0.00 -0.04 1.64 1.56 3k5eA1 LEU 350 HD13 -0.08 -0.02 -0.18 -0.04 0.93 0.61 3k5eA1 LEU 350 HD23 -0.19 -0.02 -0.13 -0.04 0.89 0.50 3k5eA1 GLU 351 H -0.05 0.64 -0.05 -0.55 8.60 8.59 3k5eA1 GLU 351 HA 0.11 0.01 0.39 -0.75 4.29 4.05 3k5eA1 GLU 351 HB2 0.09 0.11 0.12 -0.04 2.09 2.36 3k5eA1 GLU 351 HB3 0.09 0.04 0.07 -0.04 1.99 2.15 3k5eA1 GLU 351 HG2 0.09 -0.03 -0.02 -0.04 2.34 2.34 3k5eA1 GLU 351 HG3 0.09 0.00 -0.02 -0.04 2.34 2.38 3k5eA1 TYR 352 H 0.17 0.58 -0.21 -0.55 8.29 8.27 3k5eA1 TYR 352 HA -0.05 -0.00 0.38 -0.75 4.56 4.13 3k5eA1 TYR 352 HB2 -0.01 0.06 0.10 -0.04 3.06 3.17 3k5eA1 TYR 352 HB3 -0.13 0.06 0.16 -0.04 2.98 3.03 3k5eA1 TYR 352 HD2 -0.40 0.02 -0.16 -0.04 7.15 6.58 3k5eA1 TYR 352 HE2 -0.32 -0.03 -0.07 -0.04 6.85 6.39 3k5eA1 ALA 353 H 0.14 0.72 -0.02 -0.55 8.40 8.69 3k5eA1 ALA 353 HA 0.03 -0.01 0.36 -0.75 4.34 3.96 3k5eA1 ALA 353 HB3 0.10 -0.01 0.02 -0.04 1.41 1.48 3k5eA1 HIS 354 H 0.27 0.59 -0.21 -0.55 8.41 8.51 3k5eA1 HIS 354 HA -0.02 0.02 0.34 -0.75 4.63 4.22 3k5eA1 HIS 354 HB2 -0.09 -0.03 0.05 -0.04 3.26 3.15 3k5eA1 HIS 354 HB3 0.04 0.03 0.13 -0.04 3.20 3.36 3k5eA1 HIS 354 HD2 -0.02 -0.01 -0.10 -0.04 6.97 6.79 3k5eA1 HIS 354 HE1 -0.20 0.01 0.14 -0.04 7.75 7.66 3k5eA1 ARG 355 H 0.04 0.46 -0.09 -0.55 8.46 8.32 3k5eA1 ARG 355 HA -0.09 0.03 0.47 -0.75 4.34 4.00 3k5eA1 ARG 355 HB2 -0.16 0.09 0.08 -0.04 1.90 1.87 3k5eA1 ARG 355 HB3 -0.10 -0.04 0.03 -0.04 1.80 1.66 3k5eA1 ARG 355 HG2 0.05 -0.07 0.05 -0.04 1.67 1.66 3k5eA1 ARG 355 HG3 0.01 0.31 0.11 -0.04 1.67 2.06 3k5eA1 ARG 355 HD2 -0.03 -0.01 0.00 -0.04 3.22 3.15 3k5eA1 ARG 355 HD3 0.00 -0.07 -0.01 -0.04 3.22 3.10 3k5eA1 ALA 356 H -0.13 0.32 -0.30 -0.55 8.40 7.74 3k5eA1 ALA 356 HA -0.14 0.01 0.32 -0.75 4.34 3.78 3k5eA1 ALA 356 HB3 -0.12 0.02 0.04 -0.04 1.41 1.30 3k5eA1 LYS 357 H -0.11 0.34 -0.44 -0.55 8.42 7.65 3k5eA1 LYS 357 HA -0.04 0.15 0.51 -0.75 4.32 4.18 3k5eA1 LYS 357 HB2 -0.27 0.17 0.17 -0.04 1.87 1.89 3k5eA1 LYS 357 HB3 -0.14 -0.05 0.09 -0.04 1.79 1.65 3k5eA1 LYS 357 HG2 -0.02 -0.12 0.17 -0.04 1.46 1.45 3k5eA1 LYS 357 HG3 -0.05 0.04 0.16 -0.04 1.46 1.57 3k5eA1 LYS 357 HD2 -0.25 -0.13 0.18 -0.04 1.69 1.45 3k5eA1 LYS 357 HD3 -0.70 0.09 0.18 -0.04 1.68 1.21 3k5eA1 LYS 357 HE2 -0.16 0.03 0.04 -0.04 2.99 2.86 3k5eA1 LYS 357 HE3 -0.07 -0.14 0.00 -0.04 2.99 2.74 3k5eA1 ASN 358 H -0.11 0.42 -0.28 -0.55 8.53 8.01 3k5eA1 ASN 358 HA -0.06 0.12 0.53 -0.75 4.76 4.60 3k5eA1 ASN 358 HB2 -0.07 0.02 0.16 -0.04 2.88 2.95 3k5eA1 ASN 358 HB3 -0.06 -0.04 0.23 -0.04 2.79 2.88 3k5eA1 ASN 358 HD21 -0.11 -0.11 0.08 -0.04 7.03 6.84 3k5eA1 ASN 358 HD22 -0.09 0.07 0.15 -0.04 7.74 7.84 3k5eA1 ILE 359 H -0.04 0.40 -0.47 -0.55 8.25 7.58 3k5eA1 ILE 359 HA -0.03 0.20 0.95 -0.75 4.18 4.54 3k5eA1 ILE 359 HB -0.02 0.02 0.12 -0.04 1.89 1.97 3k5eA1 ILE 359 HG12 -0.06 0.03 -0.22 -0.04 1.49 1.19 3k5eA1 ILE 359 HG13 -0.07 0.03 -0.20 -0.04 1.21 0.92 3k5eA1 ILE 359 HG23 0.00 -0.03 -0.16 -0.04 0.93 0.70 3k5eA1 ILE 359 HD13 -0.08 -0.04 -0.03 -0.04 0.88 0.69 3k5eA1 LEU 360 H -0.01 0.21 0.17 -0.55 8.37 8.19 3k5eA1 LEU 360 HA -0.00 0.15 0.94 -0.75 4.35 4.68 3k5eA1 LEU 360 HB2 -0.01 0.02 0.07 -0.04 1.64 1.68 3k5eA1 LEU 360 HB3 -0.00 -0.03 0.15 -0.04 1.64 1.73 3k5eA1 LEU 360 HG 0.01 0.08 -0.23 -0.04 1.64 1.46 3k5eA1 LEU 360 HD13 -0.00 -0.02 0.08 -0.04 0.93 0.95 3k5eA1 LEU 360 HD23 0.00 -0.03 -0.02 -0.04 0.89 0.81 3k5eA1 ASN 361 H 0.01 0.17 0.12 -0.55 8.53 8.28 3k5eA1 ASN 361 HA 0.02 0.16 0.24 -0.75 4.76 4.43 3k5eA1 ASN 361 HB2 0.03 0.70 0.34 -0.04 2.88 3.91 3k5eA1 ASN 361 HB3 0.04 -0.27 0.16 -0.04 2.79 2.67 3k5eA1 ASN 361 HD21 0.05 -0.10 0.07 -0.04 7.03 7.00 3k5eA1 ASN 361 HD22 0.06 -0.27 -0.12 -0.04 7.74 7.37 3k5eA1 LYS 362 H 0.03 0.91 0.22 -0.55 8.42 9.02 3k5eA1 LYS 362 HA 0.04 -0.02 0.40 -0.75 4.32 3.99 3k5eA1 LYS 362 HB2 0.02 0.21 0.12 -0.04 1.87 2.17 3k5eA1 LYS 362 HB3 0.04 -0.07 0.05 -0.04 1.79 1.76 3k5eA1 LYS 362 HG2 0.06 0.20 -0.04 -0.04 1.46 1.64 3k5eA1 LYS 362 HG3 0.02 -0.04 -0.21 -0.04 1.46 1.18 3k5eA1 LYS 362 HD2 0.04 -0.04 0.03 -0.04 1.69 1.68 3k5eA1 LYS 362 HD3 0.01 -0.03 0.01 -0.04 1.68 1.62 3k5eA1 LYS 362 HE2 0.27 -0.06 0.04 -0.04 2.99 3.19 3k5eA1 LYS 362 HE3 0.10 -0.01 0.05 -0.04 2.99 3.09 3k5eA1 PRO 363 HA 0.02 0.13 0.14 -0.51 4.44 4.21 3k5eA1 PRO 363 HB2 0.02 0.02 0.07 -0.04 2.28 2.34 3k5eA1 PRO 363 HB3 0.02 -0.00 0.05 -0.04 2.02 2.04 3k5eA1 PRO 363 HG2 0.04 0.04 0.07 -0.04 2.03 2.14 3k5eA1 PRO 363 HG3 0.03 0.02 0.09 -0.04 2.03 2.13 3k5eA1 PRO 363 HD2 0.06 0.16 0.20 -0.04 3.68 4.06 3k5eA1 PRO 363 HD3 0.04 0.03 0.20 -0.04 3.65 3.87