============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 6 1.000 -20.901 -17.900 17.691 -99.200 -91.000 PHE 16 1.000 -20.130 -12.888 26.662 -99.200 -91.000 TRP 17 1.040 -21.715 -17.408 25.715 -99.200 -91.000 TRP6 17 1.020 -20.290 -16.936 23.884 -99.200 -91.000 TYR 20 0.840 -19.719 -13.451 20.777 -99.200 -91.000 PHE 23 1.000 -21.692 -5.402 18.390 -99.200 -91.000 TYR 38 0.840 -28.085 -19.113 21.764 -99.200 -91.000 PHE 54 1.000 -17.822 -29.736 9.634 -99.200 -91.000 TYR 62 0.840 -16.668 -17.132 5.300 -99.200 -91.000 TYR 69 0.840 -10.382 -31.794 26.882 -99.200 -91.000 PHE 86 1.000 -12.725 -15.432 12.005 -99.200 -91.000 TRP 98 1.040 -9.012 -18.094 5.137 -99.200 -91.000 TRP6 98 1.020 -10.577 -17.204 6.672 -99.200 -91.000 TYR 110 0.840 -1.382 -7.036 35.352 -99.200 -91.000 HIS 117 0.900 -5.737 3.504 42.186 -99.200 -91.000 HIS 126 0.900 -2.132 -4.289 59.718 -99.200 -91.000 PHE 133 1.000 -16.454 -16.738 44.596 -99.200 -91.000 HIS 156 0.900 0.394 -5.360 43.525 -99.200 -91.000 HIS 160 0.900 -1.222 -12.579 52.781 -99.200 -91.000 TYR 166 0.840 -11.310 -23.584 38.660 -99.200 -91.000 TRP 169 1.040 -18.056 -19.588 32.298 -99.200 -91.000 TRP6 169 1.020 -16.303 -18.054 32.687 -99.200 -91.000 TYR 175 0.840 -26.811 -17.117 47.648 -99.200 -91.000 TYR 185 0.840 -10.692 -18.822 53.733 -99.200 -91.000 TRP 192 1.040 -9.714 -11.608 39.475 -99.200 -91.000 TRP6 192 1.020 -10.118 -13.678 38.392 -99.200 -91.000 PHE 217 1.000 -18.207 -8.646 46.324 -99.200 -91.000 HIS 242 0.900 -16.257 -10.673 27.082 -99.200 -91.000 PHE 243 1.000 -21.317 -5.939 24.127 -99.200 -91.000 TRP 248 1.040 -15.572 -5.790 17.202 -99.200 -91.000 TRP6 248 1.020 -17.056 -4.064 16.550 -99.200 -91.000 HIS 254 0.900 -19.004 -7.398 3.870 -99.200 -91.000 TRP 270 1.040 -8.238 -9.375 11.952 -99.200 -91.000 TRP6 270 1.020 -9.045 -10.906 10.339 -99.200 -91.000 PHE 275 1.000 -12.557 -8.610 28.348 -99.200 -91.000 PHE 299 1.000 -22.074 -4.084 13.373 -99.200 -91.000 TYR 311 0.840 -10.774 0.656 7.432 -99.200 -91.000 TYR 313 0.840 -11.143 -4.984 9.225 -99.200 -91.000 PHE 315 1.000 -13.151 -5.036 13.484 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3h75A1 LEU -1 HA 0.00 -0.05 0.23 -0.75 4.35 3.77 3h75A1 LEU -1 HB2 0.00 -0.10 -0.06 -0.04 1.64 1.44 3h75A1 LEU -1 HB3 0.01 0.19 0.04 -0.04 1.64 1.83 3h75A1 LEU -1 HG 0.00 0.03 0.06 -0.04 1.64 1.68 3h75A1 LEU -1 HD13 0.00 -0.03 0.01 -0.04 0.93 0.87 3h75A1 LEU -1 HD23 -0.00 0.01 -0.18 -0.04 0.89 0.68 3h75A1 THR 52 H 0.00 0.14 0.14 -0.55 8.28 8.02 3h75A1 THR 52 HA 0.04 0.03 0.49 -0.75 4.39 4.19 3h75A1 THR 52 HB 0.02 -0.02 0.11 -0.04 4.32 4.39 3h75A1 THR 52 HG23 0.16 0.00 -0.11 -0.04 1.22 1.23 3h75A1 SER 53 H 0.07 0.08 0.33 -0.55 8.46 8.40 3h75A1 SER 53 HA 0.04 0.31 1.16 -0.75 4.49 5.24 3h75A1 SER 53 HB2 0.04 0.04 0.07 -0.04 3.95 4.05 3h75A1 SER 53 HB3 0.03 0.14 0.07 -0.04 3.93 4.12 3h75A1 VAL 54 H 0.05 0.82 0.41 -0.55 8.24 8.98 3h75A1 VAL 54 HA 0.17 0.25 0.98 -0.75 4.13 4.78 3h75A1 VAL 54 HB 0.02 -0.06 -0.04 -0.04 2.12 1.99 3h75A1 VAL 54 HG13 0.08 -0.02 -0.29 -0.04 0.97 0.70 3h75A1 VAL 54 HG23 0.03 -0.00 -0.34 -0.04 0.95 0.60 3h75A1 VAL 55 H 0.13 0.64 0.31 -0.55 8.24 8.77 3h75A1 VAL 55 HA 0.05 0.23 1.10 -0.75 4.13 4.76 3h75A1 VAL 55 HB 0.04 0.04 0.20 -0.04 2.12 2.35 3h75A1 VAL 55 HG13 -0.03 -0.03 -0.16 -0.04 0.97 0.70 3h75A1 VAL 55 HG23 0.01 0.00 -0.06 -0.04 0.95 0.86 3h75A1 PHE 56 H 0.12 0.69 0.38 -0.55 8.34 8.97 3h75A1 PHE 56 HA 0.01 0.23 1.04 -0.75 4.62 5.15 3h75A1 PHE 56 HB2 0.02 0.06 -0.09 -0.04 3.15 3.11 3h75A1 PHE 56 HB3 -0.04 -0.02 0.09 -0.04 3.06 3.05 3h75A1 PHE 56 HD2 0.01 0.09 -0.04 -0.04 7.28 7.31 3h75A1 PHE 56 HE2 0.04 -0.04 -0.11 -0.04 7.38 7.23 3h75A1 PHE 56 HZ -0.16 -0.13 -0.06 -0.04 7.32 6.93 3h75A1 LEU 57 H -0.25 0.29 0.15 -0.55 8.37 8.02 3h75A1 LEU 57 HA -0.42 0.21 0.84 -0.75 4.35 4.23 3h75A1 LEU 57 HB2 -0.24 -0.07 0.24 -0.04 1.64 1.53 3h75A1 LEU 57 HB3 -0.25 -0.04 0.06 -0.04 1.64 1.37 3h75A1 LEU 57 HG -0.10 0.06 -0.03 -0.04 1.64 1.53 3h75A1 LEU 57 HD13 -0.10 0.02 -0.01 -0.04 0.93 0.80 3h75A1 LEU 57 HD23 -0.15 0.02 -0.17 -0.04 0.89 0.54 3h75A1 ASN 58 H -0.77 0.54 0.18 -0.55 8.53 7.93 3h75A1 ASN 58 HA -1.22 0.08 0.57 -0.75 4.76 3.44 3h75A1 ASN 58 HB2 -0.74 0.10 -0.04 -0.04 2.88 2.17 3h75A1 ASN 58 HB3 -0.90 -0.04 -0.00 -0.04 2.79 1.80 3h75A1 ASN 58 HD21 0.47 0.11 0.04 -0.04 7.03 7.61 3h75A1 ASN 58 HD22 0.04 0.09 -0.05 -0.04 7.74 7.79 3h75A1 PRO 59 HA -0.33 0.11 0.59 -0.51 4.44 4.30 3h75A1 PRO 59 HB2 -0.25 -0.04 0.04 -0.04 2.28 1.98 3h75A1 PRO 59 HB3 -0.29 0.09 0.10 -0.04 2.02 1.88 3h75A1 PRO 59 HG2 -1.48 -0.07 0.07 -0.04 2.03 0.51 3h75A1 PRO 59 HG3 -0.51 0.06 0.10 -0.04 2.03 1.65 3h75A1 PRO 59 HD2 -2.02 0.05 0.26 -0.04 3.68 1.93 3h75A1 PRO 59 HD3 -0.80 0.34 0.32 -0.04 3.65 3.47 3h75A1 GLY 60 H -1.00 0.12 -0.17 -0.55 8.43 6.83 3h75A1 GLY 60 HA2 -0.05 0.14 0.50 -0.51 4.01 4.09 3h75A1 GLY 60 HA3 -0.04 -0.00 0.37 -0.51 4.01 3.82 3h75A1 ASN 61 H 0.14 0.08 0.20 -0.55 8.53 8.39 3h75A1 ASN 61 HA -0.02 0.15 0.73 -0.75 4.76 4.87 3h75A1 ASN 61 HB2 0.04 -0.08 0.12 -0.04 2.88 2.92 3h75A1 ASN 61 HB3 -0.03 0.05 0.09 -0.04 2.79 2.86 3h75A1 ASN 61 HD21 0.07 0.12 -0.04 -0.04 7.03 7.15 3h75A1 ASN 61 HD22 0.07 -0.07 0.01 -0.04 7.74 7.72 3h75A1 SER 62 H -0.26 0.25 0.15 -0.55 8.46 8.05 3h75A1 SER 62 HA -1.43 0.14 0.40 -0.75 4.49 2.85 3h75A1 SER 62 HB2 -0.41 0.10 0.14 -0.04 3.95 3.73 3h75A1 SER 62 HB3 -0.76 0.04 0.11 -0.04 3.93 3.28 3h75A1 THR 63 H -0.12 -0.12 -0.61 -0.55 8.28 6.89 3h75A1 THR 63 HA -0.06 0.30 0.79 -0.75 4.39 4.66 3h75A1 THR 63 HB -0.03 0.03 0.13 -0.04 4.32 4.41 3h75A1 THR 63 HG23 -0.06 0.02 -0.13 -0.04 1.22 1.01 3h75A1 GLU 64 H 0.01 0.40 -0.22 -0.55 8.60 8.25 3h75A1 GLU 64 HA 0.07 0.11 0.62 -0.75 4.29 4.34 3h75A1 GLU 64 HB2 0.14 -0.06 0.20 -0.04 2.09 2.33 3h75A1 GLU 64 HB3 0.26 0.11 0.27 -0.04 1.99 2.58 3h75A1 GLU 64 HG2 0.25 -0.24 -0.05 -0.04 2.34 2.25 3h75A1 GLU 64 HG3 0.16 0.10 0.11 -0.04 2.34 2.67 3h75A1 THR 65 H 0.05 0.22 0.24 -0.55 8.28 8.24 3h75A1 THR 65 HA 0.00 0.17 0.26 -0.75 4.39 4.07 3h75A1 THR 65 HB 0.02 -0.13 0.19 -0.04 4.32 4.36 3h75A1 THR 65 HG23 -0.04 0.00 -0.03 -0.04 1.22 1.11 3h75A1 PHE 66 H 0.10 0.08 -0.04 -0.55 8.34 7.93 3h75A1 PHE 66 HA -0.20 0.08 0.43 -0.75 4.62 4.19 3h75A1 PHE 66 HB2 -0.24 -0.03 0.16 -0.04 3.15 2.99 3h75A1 PHE 66 HB3 -0.36 -0.03 0.14 -0.04 3.06 2.77 3h75A1 PHE 66 HD2 -1.12 -0.06 -0.03 -0.04 7.28 6.03 3h75A1 PHE 66 HE2 -1.81 -0.04 -0.09 -0.04 7.38 5.40 3h75A1 PHE 66 HZ -0.82 0.09 -0.16 -0.04 7.32 6.40 3h75A1 TRP 67 H 0.18 0.07 -0.09 -0.55 7.97 7.57 3h75A1 TRP 67 HA -0.27 0.08 0.49 -0.75 4.62 4.16 3h75A1 TRP 67 HB2 0.12 0.01 0.14 -0.04 3.23 3.45 3h75A1 TRP 67 HB3 0.18 0.08 0.01 -0.04 3.23 3.45 3h75A1 TRP 67 HD1 0.10 -0.04 0.07 -0.04 7.22 7.31 3h75A1 TRP 67 HE1 -0.05 0.02 -0.01 -0.04 10.20 10.13 3h75A1 TRP 67 HE3 -0.20 0.04 0.08 -0.04 7.59 7.47 3h75A1 TRP 67 HZ2 0.01 0.00 0.01 -0.04 7.44 7.42 3h75A1 TRP 67 HZ3 -1.32 0.10 -0.02 -0.04 7.13 5.84 3h75A1 TRP 67 HH2 -0.19 0.06 -0.00 -0.04 7.19 7.02 3h75A1 VAL 68 H 0.12 0.50 -0.26 -0.55 8.24 8.06 3h75A1 VAL 68 HA 0.26 0.10 0.48 -0.75 4.13 4.22 3h75A1 VAL 68 HB 0.03 0.02 -0.03 -0.04 2.12 2.09 3h75A1 VAL 68 HG13 0.04 0.01 -0.11 -0.04 0.97 0.87 3h75A1 VAL 68 HG23 0.03 0.03 -0.23 -0.04 0.95 0.73 3h75A1 SER 69 H -0.10 0.46 -0.08 -0.55 8.46 8.20 3h75A1 SER 69 HA -0.06 0.07 0.44 -0.75 4.49 4.18 3h75A1 SER 69 HB2 -0.35 0.03 0.19 -0.04 3.95 3.78 3h75A1 SER 69 HB3 -0.42 -0.03 0.00 -0.04 3.93 3.45 3h75A1 TYR 70 H -0.20 0.34 -0.21 -0.55 8.29 7.67 3h75A1 TYR 70 HA -0.21 0.23 0.50 -0.75 4.56 4.34 3h75A1 TYR 70 HB2 -0.98 -0.04 0.15 -0.04 3.06 2.14 3h75A1 TYR 70 HB3 0.06 0.12 0.13 -0.04 2.98 3.25 3h75A1 TYR 70 HD2 -0.28 0.01 -0.12 -0.04 7.15 6.72 3h75A1 TYR 70 HE2 -0.35 0.07 -0.04 -0.04 6.85 6.49 3h75A1 SER 71 H 0.24 0.35 -0.22 -0.55 8.46 8.28 3h75A1 SER 71 HA 0.16 0.02 0.38 -0.75 4.49 4.30 3h75A1 SER 71 HB2 0.22 0.08 0.21 -0.04 3.95 4.42 3h75A1 SER 71 HB3 0.15 0.02 0.00 -0.04 3.93 4.06 3h75A1 GLN 72 H 0.07 0.55 -0.06 -0.55 8.47 8.48 3h75A1 GLN 72 HA 0.02 0.04 0.41 -0.75 4.36 4.07 3h75A1 GLN 72 HB2 0.04 -0.04 0.16 -0.04 2.15 2.28 3h75A1 GLN 72 HB3 0.03 0.08 0.10 -0.04 2.02 2.19 3h75A1 GLN 72 HG2 0.05 0.27 0.08 -0.04 2.40 2.76 3h75A1 GLN 72 HG3 0.02 -0.11 0.02 -0.04 2.39 2.28 3h75A1 GLN 72 HE21 0.05 0.01 -0.02 -0.04 6.97 6.97 3h75A1 GLN 72 HE22 0.09 -0.02 -0.01 -0.04 7.69 7.71 3h75A1 PHE 73 H 0.11 0.45 -0.30 -0.55 8.34 8.05 3h75A1 PHE 73 HA -0.07 -0.03 0.31 -0.75 4.62 4.08 3h75A1 PHE 73 HB2 -0.04 0.06 0.10 -0.04 3.15 3.23 3h75A1 PHE 73 HB3 -0.36 0.12 0.18 -0.04 3.06 2.95 3h75A1 PHE 73 HD2 -0.36 -0.10 0.04 -0.04 7.28 6.83 3h75A1 PHE 73 HE2 -0.94 0.04 -0.05 -0.04 7.38 6.38 3h75A1 PHE 73 HZ -0.52 0.04 -0.07 -0.04 7.32 6.73 3h75A1 GLN 75 HA -0.13 -0.09 0.32 -0.75 4.36 3.71 3h75A1 GLN 75 HB2 -0.06 0.08 0.08 -0.04 2.15 2.21 3h75A1 GLN 75 HB3 -0.05 -0.04 0.02 -0.04 2.02 1.90 3h75A1 GLN 75 HG2 -0.03 -0.06 0.05 -0.04 2.40 2.32 3h75A1 GLN 75 HG3 -0.01 0.38 0.07 -0.04 2.39 2.79 3h75A1 GLN 75 HE21 0.04 -0.03 0.00 -0.04 6.97 6.95 3h75A1 GLN 75 HE22 0.02 0.01 0.00 -0.04 7.69 7.68 3h75A1 ALA 76 H -0.22 0.55 -0.96 -0.55 8.40 7.23 3h75A1 ALA 76 HA -0.12 0.01 0.44 -0.75 4.34 3.92 3h75A1 ALA 76 HB3 -0.14 0.05 0.01 -0.04 1.41 1.30 3h75A1 ALA 77 H -0.77 0.51 0.31 -0.55 8.40 7.90 3h75A1 ALA 77 HA -1.52 0.02 0.44 -0.75 4.34 2.53 3h75A1 ALA 77 HB3 -1.34 0.00 0.02 -0.04 1.41 0.05 3h75A1 ALA 78 H -0.35 0.16 -0.30 -0.55 8.40 7.36 3h75A1 ALA 78 HA -0.18 0.01 0.32 -0.75 4.34 3.73 3h75A1 ALA 78 HB3 -0.13 0.07 0.03 -0.04 1.41 1.34 3h75A1 ARG 79 H -0.15 0.55 -0.16 -0.55 8.46 8.15 3h75A1 ARG 79 HA -0.06 0.06 0.48 -0.75 4.34 4.07 3h75A1 ARG 79 HB2 -0.07 0.11 0.20 -0.04 1.90 2.10 3h75A1 ARG 79 HB3 -0.04 -0.05 0.04 -0.04 1.80 1.71 3h75A1 ARG 79 HG2 -0.04 -0.04 0.06 -0.04 1.67 1.61 3h75A1 ARG 79 HG3 -0.07 0.22 0.10 -0.04 1.67 1.88 3h75A1 ARG 79 HD2 -0.03 -0.03 0.02 -0.04 3.22 3.14 3h75A1 ARG 79 HD3 -0.03 -0.05 0.01 -0.04 3.22 3.10 3h75A1 ASP 80 H -0.11 0.46 -0.10 -0.55 8.40 8.11 3h75A1 ASP 80 HA -0.01 0.06 0.49 -0.75 4.63 4.42 3h75A1 ASP 80 HB2 0.08 0.13 0.20 -0.04 2.71 3.08 3h75A1 ASP 80 HB3 0.07 0.00 0.15 -0.04 2.70 2.88 3h75A1 LEU 81 H -0.12 0.49 -0.21 -0.55 8.37 7.98 3h75A1 LEU 81 HA -0.11 0.07 0.61 -0.75 4.35 4.17 3h75A1 LEU 81 HB2 -0.13 0.03 -0.02 -0.04 1.64 1.48 3h75A1 LEU 81 HB3 -0.12 -0.02 0.02 -0.04 1.64 1.48 3h75A1 LEU 81 HG -0.16 -0.03 -0.08 -0.04 1.64 1.33 3h75A1 LEU 81 HD13 -0.21 -0.01 -0.30 -0.04 0.93 0.36 3h75A1 LEU 81 HD23 -0.40 0.00 -0.21 -0.04 0.89 0.24 3h75A1 GLY 82 H -0.04 0.28 -0.38 -0.55 8.43 7.74 3h75A1 GLY 82 HA2 -0.01 0.03 0.30 -0.51 4.01 3.82 3h75A1 GLY 82 HA3 0.02 0.00 0.43 -0.51 4.01 3.96 3h75A1 LEU 83 H -0.04 0.46 0.06 -0.55 8.37 8.30 3h75A1 LEU 83 HA 0.01 0.24 0.84 -0.75 4.35 4.69 3h75A1 LEU 83 HB2 -0.07 -0.14 -0.04 -0.04 1.64 1.35 3h75A1 LEU 83 HB3 -0.03 0.03 -0.14 -0.04 1.64 1.46 3h75A1 LEU 83 HG 0.02 -0.00 -0.29 -0.04 1.64 1.33 3h75A1 LEU 83 HD13 -0.09 -0.02 -0.16 -0.04 0.93 0.63 3h75A1 LEU 83 HD23 0.04 0.02 -0.13 -0.04 0.89 0.77 3h75A1 ASP 84 H 0.01 0.85 0.20 -0.55 8.40 8.90 3h75A1 ASP 84 HA -0.01 0.07 0.71 -0.75 4.63 4.64 3h75A1 ASP 84 HB2 0.00 0.04 -0.02 -0.04 2.71 2.69 3h75A1 ASP 84 HB3 0.01 0.09 0.06 -0.04 2.70 2.82 3h75A1 LEU 85 H -0.02 0.23 0.12 -0.55 8.37 8.15 3h75A1 LEU 85 HA 0.01 0.37 1.13 -0.75 4.35 5.11 3h75A1 LEU 85 HB2 -0.05 -0.02 -0.13 -0.04 1.64 1.40 3h75A1 LEU 85 HB3 -0.04 -0.00 0.06 -0.04 1.64 1.62 3h75A1 LEU 85 HG 0.00 -0.06 -0.47 -0.04 1.64 1.08 3h75A1 LEU 85 HD13 0.03 0.01 -0.15 -0.04 0.93 0.78 3h75A1 LEU 85 HD23 -0.07 -0.02 -0.08 -0.04 0.89 0.68 3h75A1 ARG 86 H 0.03 0.63 0.40 -0.55 8.46 8.97 3h75A1 ARG 86 HA 0.01 0.12 0.90 -0.75 4.34 4.61 3h75A1 ARG 86 HB2 0.01 0.02 0.15 -0.04 1.90 2.04 3h75A1 ARG 86 HB3 -0.00 -0.03 0.01 -0.04 1.80 1.73 3h75A1 ARG 86 HG2 0.00 0.02 -0.06 -0.04 1.67 1.60 3h75A1 ARG 86 HG3 0.01 -0.00 -0.41 -0.04 1.67 1.23 3h75A1 ARG 86 HD2 0.00 0.00 -0.07 -0.04 3.22 3.11 3h75A1 ARG 86 HD3 0.00 0.06 -0.08 -0.04 3.22 3.16 3h75A1 ILE 87 H 0.00 0.23 0.15 -0.55 8.25 8.08 3h75A1 ILE 87 HA -0.03 0.26 1.13 -0.75 4.18 4.78 3h75A1 ILE 87 HB -0.03 -0.00 0.13 -0.04 1.89 1.95 3h75A1 ILE 87 HG12 0.20 0.01 -0.08 -0.04 1.49 1.58 3h75A1 ILE 87 HG13 0.05 -0.02 -0.30 -0.04 1.21 0.90 3h75A1 ILE 87 HG23 -0.35 -0.03 -0.17 -0.04 0.93 0.34 3h75A1 ILE 87 HD13 0.08 0.01 -0.02 -0.04 0.88 0.91 3h75A1 LEU 88 H -0.22 0.67 0.33 -0.55 8.37 8.61 3h75A1 LEU 88 HA -0.07 0.15 0.94 -0.75 4.35 4.61 3h75A1 LEU 88 HB2 -0.17 -0.05 0.13 -0.04 1.64 1.51 3h75A1 LEU 88 HB3 -0.09 0.04 -0.01 -0.04 1.64 1.53 3h75A1 LEU 88 HG -0.08 0.01 -0.19 -0.04 1.64 1.34 3h75A1 LEU 88 HD13 -0.08 0.01 -0.08 -0.04 0.93 0.74 3h75A1 LEU 88 HD23 -0.04 0.03 -0.13 -0.04 0.89 0.72 3h75A1 TYR 89 H 0.09 0.18 0.14 -0.55 8.29 8.15 3h75A1 TYR 89 HA -0.20 0.18 0.75 -0.75 4.56 4.54 3h75A1 TYR 89 HB2 -0.06 0.05 0.12 -0.04 3.06 3.13 3h75A1 TYR 89 HB3 -0.08 -0.13 -0.01 -0.04 2.98 2.72 3h75A1 TYR 89 HD2 -0.06 0.08 -0.20 -0.04 7.15 6.93 3h75A1 TYR 89 HE2 0.06 -0.00 -0.17 -0.04 6.85 6.70 3h75A1 ALA 90 H -0.11 0.50 0.25 -0.55 8.40 8.49 3h75A1 ALA 90 HA -0.06 0.17 0.53 -0.75 4.34 4.23 3h75A1 ALA 90 HB3 -0.11 0.03 0.03 -0.04 1.41 1.32 3h75A1 GLU 91 H 0.04 0.28 -0.13 -0.55 8.60 8.25 3h75A1 GLU 91 HA 0.01 -0.16 0.26 -0.75 4.29 3.65 3h75A1 GLU 91 HB2 -0.00 0.22 0.07 -0.04 2.09 2.34 3h75A1 GLU 91 HB3 -0.00 -0.04 0.17 -0.04 1.99 2.07 3h75A1 GLU 91 HG2 0.02 0.12 -0.36 -0.04 2.34 2.09 3h75A1 GLU 91 HG3 -0.01 0.07 -0.06 -0.04 2.34 2.31 3h75A1 ARG 92 H -0.02 0.27 -0.30 -0.55 8.46 7.86 3h75A1 ARG 92 HA 0.01 0.17 0.29 -0.75 4.34 4.05 3h75A1 ARG 92 HB2 0.05 0.14 -0.32 -0.04 1.90 1.73 3h75A1 ARG 92 HB3 0.08 0.00 0.22 -0.04 1.80 2.06 3h75A1 ARG 92 HG2 0.08 -0.21 -0.09 -0.04 1.67 1.42 3h75A1 ARG 92 HG3 0.13 -0.00 -0.01 -0.04 1.67 1.75 3h75A1 ARG 92 HD2 0.19 0.02 0.04 -0.04 3.22 3.43 3h75A1 ARG 92 HD3 0.07 0.25 0.05 -0.04 3.22 3.55 3h75A1 ASP 93 H -0.01 0.32 -0.47 -0.55 8.40 7.69 3h75A1 ASP 93 HA 0.01 0.19 0.87 -0.75 4.63 4.95 3h75A1 ASP 93 HB2 0.01 0.14 -0.01 -0.04 2.71 2.80 3h75A1 ASP 93 HB3 -0.01 0.09 0.18 -0.04 2.70 2.92 3h75A1 PRO 94 HA -0.03 0.06 0.45 -0.51 4.44 4.42 3h75A1 PRO 94 HB2 0.03 0.06 0.03 -0.04 2.28 2.36 3h75A1 PRO 94 HB3 0.03 -0.00 0.10 -0.04 2.02 2.10 3h75A1 PRO 94 HG2 0.06 0.04 0.05 -0.04 2.03 2.14 3h75A1 PRO 94 HG3 0.03 0.03 0.02 -0.04 2.03 2.08 3h75A1 PRO 94 HD2 0.02 0.13 0.18 -0.04 3.68 3.97 3h75A1 PRO 94 HD3 0.03 0.28 -0.08 -0.04 3.65 3.84 3h75A1 GLN 95 H -0.00 0.15 -0.32 -0.55 8.47 7.75 3h75A1 GLN 95 HA -0.00 0.07 0.44 -0.75 4.36 4.12 3h75A1 GLN 95 HB2 -0.01 0.02 0.03 -0.04 2.15 2.15 3h75A1 GLN 95 HB3 -0.01 0.07 0.03 -0.04 2.02 2.08 3h75A1 GLN 95 HG2 -0.01 -0.07 0.02 -0.04 2.40 2.31 3h75A1 GLN 95 HG3 -0.01 0.07 0.01 -0.04 2.39 2.43 3h75A1 GLN 95 HE21 0.00 0.05 -0.06 -0.04 6.97 6.93 3h75A1 GLN 95 HE22 -0.00 -0.06 -0.06 -0.04 7.69 7.52 3h75A1 ASN 96 H -0.02 0.50 -0.24 -0.55 8.53 8.22 3h75A1 ASN 96 HA -0.03 0.08 0.49 -0.75 4.76 4.56 3h75A1 ASN 96 HB2 -0.04 0.12 0.21 -0.04 2.88 3.13 3h75A1 ASN 96 HB3 -0.04 0.03 0.05 -0.04 2.79 2.79 3h75A1 ASN 96 HD21 -0.01 -0.07 0.05 -0.04 7.03 6.96 3h75A1 ASN 96 HD22 -0.02 0.53 0.17 -0.04 7.74 8.38 3h75A1 THR 97 H -0.05 0.19 -0.18 -0.55 8.28 7.69 3h75A1 THR 97 HA -0.10 0.10 0.38 -0.75 4.39 4.01 3h75A1 THR 97 HB -0.05 0.11 0.15 -0.04 4.32 4.49 3h75A1 THR 97 HG23 -0.10 0.01 -0.10 -0.04 1.22 0.99 3h75A1 LEU 98 H -0.02 0.33 -0.15 -0.55 8.37 7.98 3h75A1 LEU 98 HA 0.00 0.07 0.38 -0.75 4.35 4.05 3h75A1 LEU 98 HB2 0.02 -0.07 0.10 -0.04 1.64 1.65 3h75A1 LEU 98 HB3 0.00 0.10 0.15 -0.04 1.64 1.86 3h75A1 LEU 98 HG 0.02 0.04 -0.22 -0.04 1.64 1.44 3h75A1 LEU 98 HD13 0.05 0.01 -0.01 -0.04 0.93 0.94 3h75A1 LEU 98 HD23 0.03 -0.01 -0.01 -0.04 0.89 0.85 3h75A1 GLN 99 H -0.02 0.45 -0.17 -0.55 8.47 8.19 3h75A1 GLN 99 HA -0.01 0.04 0.41 -0.75 4.36 4.04 3h75A1 GLN 99 HB2 -0.01 0.07 0.15 -0.04 2.15 2.31 3h75A1 GLN 99 HB3 -0.03 0.06 0.06 -0.04 2.02 2.08 3h75A1 GLN 99 HG2 -0.01 -0.02 -0.01 -0.04 2.40 2.32 3h75A1 GLN 99 HG3 -0.02 0.01 -0.03 -0.04 2.39 2.31 3h75A1 GLN 99 HE21 0.01 0.02 -0.01 -0.04 6.97 6.94 3h75A1 GLN 99 HE22 -0.00 0.01 0.00 -0.04 7.69 7.66 3h75A1 GLN 100 H -0.06 0.51 -0.25 -0.55 8.47 8.13 3h75A1 GLN 100 HA -0.07 0.02 0.40 -0.75 4.36 3.96 3h75A1 GLN 100 HB2 -0.10 0.07 0.14 -0.04 2.15 2.21 3h75A1 GLN 100 HB3 -0.11 -0.03 -0.03 -0.04 2.02 1.82 3h75A1 GLN 100 HG2 -0.06 -0.04 -0.01 -0.04 2.40 2.24 3h75A1 GLN 100 HG3 -0.06 0.09 0.06 -0.04 2.39 2.44 3h75A1 GLN 100 HE21 -0.06 0.18 -0.39 -0.04 6.97 6.65 3h75A1 GLN 100 HE22 -0.04 -0.03 -0.08 -0.04 7.69 7.49 3h75A1 ALA 101 H -0.11 0.45 -0.20 -0.55 8.40 7.99 3h75A1 ALA 101 HA -0.41 0.07 0.45 -0.75 4.34 3.70 3h75A1 ALA 101 HB3 -0.13 0.01 0.08 -0.04 1.41 1.33 3h75A1 ARG 102 H -0.04 0.63 -0.02 -0.55 8.46 8.48 3h75A1 ARG 102 HA 0.18 0.05 0.35 -0.75 4.34 4.17 3h75A1 ARG 102 HB2 0.05 0.01 0.10 -0.04 1.90 2.02 3h75A1 ARG 102 HB3 0.01 0.03 0.15 -0.04 1.80 1.95 3h75A1 ARG 102 HG2 0.05 0.01 -0.19 -0.04 1.67 1.50 3h75A1 ARG 102 HG3 0.09 0.02 0.02 -0.04 1.67 1.76 3h75A1 ARG 102 HD2 0.02 -0.03 -0.03 -0.04 3.22 3.14 3h75A1 ARG 102 HD3 0.04 -0.01 -0.03 -0.04 3.22 3.17 3h75A1 GLU 103 H -0.06 0.55 -0.21 -0.55 8.60 8.34 3h75A1 GLU 103 HA -0.00 0.03 0.46 -0.75 4.29 4.02 3h75A1 GLU 103 HB2 -0.05 0.10 0.09 -0.04 2.09 2.19 3h75A1 GLU 103 HB3 -0.03 -0.04 0.02 -0.04 1.99 1.91 3h75A1 GLU 103 HG2 -0.00 -0.03 -0.01 -0.04 2.34 2.26 3h75A1 GLU 103 HG3 -0.01 0.03 0.04 -0.04 2.34 2.36 3h75A1 LEU 104 H -0.20 0.33 -0.34 -0.55 8.37 7.62 3h75A1 LEU 104 HA -0.08 0.01 0.43 -0.75 4.35 3.96 3h75A1 LEU 104 HB2 -0.43 0.08 0.25 -0.04 1.64 1.50 3h75A1 LEU 104 HB3 -0.28 0.01 -0.06 -0.04 1.64 1.28 3h75A1 LEU 104 HG -0.13 0.03 0.03 -0.04 1.64 1.53 3h75A1 LEU 104 HD13 -0.15 -0.04 -0.07 -0.04 0.93 0.63 3h75A1 LEU 104 HD23 -0.06 -0.01 0.01 -0.04 0.89 0.79 3h75A1 PHE 105 H -0.28 0.47 -0.12 -0.55 8.34 7.86 3h75A1 PHE 105 HA 0.01 0.07 0.43 -0.75 4.62 4.38 3h75A1 PHE 105 HB2 0.01 0.05 0.07 -0.04 3.15 3.24 3h75A1 PHE 105 HB3 0.01 0.04 0.03 -0.04 3.06 3.10 3h75A1 PHE 105 HD2 0.02 -0.02 -0.11 -0.04 7.28 7.13 3h75A1 PHE 105 HE2 0.03 -0.07 -0.10 -0.04 7.38 7.20 3h75A1 PHE 105 HZ 0.04 -0.05 -0.07 -0.04 7.32 7.19 3h75A1 GLN 106 H 0.09 0.18 -0.36 -0.55 8.47 7.83 3h75A1 GLN 106 HA 0.08 0.11 0.63 -0.75 4.36 4.42 3h75A1 GLN 106 HB2 0.04 0.01 0.05 -0.04 2.15 2.20 3h75A1 GLN 106 HB3 0.04 -0.11 0.09 -0.04 2.02 2.00 3h75A1 GLN 106 HG2 0.07 -0.02 -0.02 -0.04 2.40 2.39 3h75A1 GLN 106 HG3 0.10 0.36 0.09 -0.04 2.39 2.89 3h75A1 GLN 106 HE21 0.04 -0.10 -0.04 -0.04 6.97 6.82 3h75A1 GLN 106 HE22 0.06 0.04 -0.02 -0.04 7.69 7.72 3h75A1 GLY 107 H 0.03 0.27 -0.36 -0.55 8.43 7.82 3h75A1 GLY 107 HA2 0.02 -0.02 0.64 -0.51 4.01 4.14 3h75A1 GLY 107 HA3 0.01 0.01 0.33 -0.51 4.01 3.85 3h75A1 ARG 108 H 0.01 -0.01 0.12 -0.55 8.46 8.03 3h75A1 ARG 108 HA 0.02 0.19 0.67 -0.75 4.34 4.47 3h75A1 ARG 108 HB2 0.01 -0.04 0.08 -0.04 1.90 1.91 3h75A1 ARG 108 HB3 0.01 -0.08 0.12 -0.04 1.80 1.81 3h75A1 ARG 108 HG2 0.01 0.03 0.04 -0.04 1.67 1.71 3h75A1 ARG 108 HG3 0.01 0.05 -0.05 -0.04 1.67 1.64 3h75A1 ARG 108 HD2 0.01 -0.01 0.01 -0.04 3.22 3.19 3h75A1 ARG 108 HD3 0.01 -0.02 0.02 -0.04 3.22 3.18 3h75A1 ASP 109 H 0.01 0.08 0.13 -0.55 8.40 8.07 3h75A1 ASP 109 HA 0.01 0.02 0.34 -0.75 4.63 4.24 3h75A1 ASP 109 HB2 0.00 0.11 -0.15 -0.04 2.71 2.63 3h75A1 ASP 109 HB3 0.01 0.02 0.15 -0.04 2.70 2.83 3h75A1 LYS 110 H 0.02 -0.01 -0.12 -0.55 8.42 7.76 3h75A1 LYS 110 HA 0.02 0.13 0.39 -0.75 4.32 4.10 3h75A1 LYS 110 HB2 0.04 -0.07 -0.01 -0.04 1.87 1.79 3h75A1 LYS 110 HB3 0.07 0.05 -0.03 -0.04 1.79 1.84 3h75A1 LYS 110 HG2 0.06 0.22 -0.05 -0.04 1.46 1.65 3h75A1 LYS 110 HG3 0.04 -0.17 -0.07 -0.04 1.46 1.23 3h75A1 LYS 110 HD2 0.06 -0.04 0.06 -0.04 1.69 1.73 3h75A1 LYS 110 HD3 0.14 -0.08 0.03 -0.04 1.68 1.73 3h75A1 LYS 110 HE2 0.09 -0.07 0.15 -0.04 2.99 3.12 3h75A1 LYS 110 HE3 0.12 0.20 0.09 -0.04 2.99 3.35 3h75A1 PRO 111 HA 0.03 0.05 0.45 -0.51 4.44 4.46 3h75A1 PRO 111 HB2 0.08 0.06 -0.10 -0.04 2.28 2.27 3h75A1 PRO 111 HB3 0.04 -0.02 -0.06 -0.04 2.02 1.94 3h75A1 PRO 111 HG2 0.07 0.03 -0.24 -0.04 2.03 1.84 3h75A1 PRO 111 HG3 0.03 -0.06 -0.02 -0.04 2.03 1.94 3h75A1 PRO 111 HD2 0.03 0.12 0.10 -0.04 3.68 3.88 3h75A1 PRO 111 HD3 0.01 0.13 0.13 -0.04 3.65 3.88 3h75A1 ASP 112 H 0.03 0.11 0.25 -0.55 8.40 8.25 3h75A1 ASP 112 HA -0.12 0.12 0.56 -0.75 4.63 4.44 3h75A1 ASP 112 HB2 0.05 0.13 0.30 -0.04 2.71 3.15 3h75A1 ASP 112 HB3 -0.37 -0.01 0.12 -0.04 2.70 2.39 3h75A1 TYR 113 H 0.17 0.38 0.20 -0.55 8.29 8.49 3h75A1 TYR 113 HA 0.16 0.41 1.04 -0.75 4.56 5.42 3h75A1 TYR 113 HB2 0.07 -0.10 0.08 -0.04 3.06 3.06 3h75A1 TYR 113 HB3 0.16 -0.01 -0.02 -0.04 2.98 3.06 3h75A1 TYR 113 HD2 0.16 0.06 -0.13 -0.04 7.15 7.20 3h75A1 TYR 113 HE2 -0.17 -0.02 -0.08 -0.04 6.85 6.53 3h75A1 LEU 114 H 0.31 0.76 0.28 -0.55 8.37 9.17 3h75A1 LEU 114 HA 0.15 0.21 0.80 -0.75 4.35 4.76 3h75A1 LEU 114 HB2 0.18 0.07 -0.13 -0.04 1.64 1.72 3h75A1 LEU 114 HB3 0.22 -0.03 0.07 -0.04 1.64 1.85 3h75A1 LEU 114 HG -0.04 0.04 -0.04 -0.04 1.64 1.56 3h75A1 LEU 114 HD13 0.11 -0.02 -0.07 -0.04 0.93 0.91 3h75A1 LEU 114 HD23 0.02 -0.01 0.04 -0.04 0.89 0.90 3h75A1 LEU 116 HA 0.10 -0.10 0.38 -0.75 4.35 3.97 3h75A1 LEU 116 HB2 0.01 -0.05 0.05 -0.04 1.64 1.61 3h75A1 LEU 116 HB3 0.04 -0.02 0.01 -0.04 1.64 1.64 3h75A1 LEU 116 HG 0.09 -0.06 -0.09 -0.04 1.64 1.54 3h75A1 LEU 116 HD13 0.06 0.01 -0.11 -0.04 0.93 0.85 3h75A1 LEU 116 HD23 0.13 0.04 -0.52 -0.04 0.89 0.50 3h75A1 VAL 117 H 0.01 0.12 0.21 -0.55 8.24 8.03 3h75A1 VAL 117 HA 0.16 0.17 0.79 -0.75 4.13 4.50 3h75A1 VAL 117 HB -0.02 -0.07 0.15 -0.04 2.12 2.15 3h75A1 VAL 117 HG13 0.18 0.03 0.04 -0.04 0.97 1.18 3h75A1 VAL 117 HG23 0.12 -0.00 0.06 -0.04 0.95 1.09 3h75A1 ASN 118 H 0.10 0.39 0.35 -0.55 8.53 8.82 3h75A1 ASN 118 HA 0.04 0.09 0.60 -0.75 4.76 4.74 3h75A1 ASN 118 HB2 0.04 0.15 0.10 -0.04 2.88 3.13 3h75A1 ASN 118 HB3 0.06 -0.12 0.02 -0.04 2.79 2.71 3h75A1 ASN 118 HD21 0.00 -0.18 -0.02 -0.04 7.03 6.79 3h75A1 ASN 118 HD22 0.02 0.25 -0.45 -0.04 7.74 7.51 3h75A1 GLU 119 H 0.03 0.37 0.32 -0.55 8.60 8.77 3h75A1 GLU 119 HA 0.04 0.12 0.64 -0.75 4.29 4.34 3h75A1 GLU 119 HB2 0.06 0.17 -0.09 -0.04 2.09 2.19 3h75A1 GLU 119 HB3 0.05 -0.17 0.09 -0.04 1.99 1.92 3h75A1 GLU 119 HG2 0.06 -0.24 0.12 -0.04 2.34 2.24 3h75A1 GLU 119 HG3 0.08 0.11 0.17 -0.04 2.34 2.66 3h75A1 GLN 120 H -0.09 0.23 0.20 -0.55 8.47 8.26 3h75A1 GLN 120 HA -0.13 0.18 0.59 -0.75 4.36 4.25 3h75A1 GLN 120 HB2 -0.44 0.06 0.15 -0.04 2.15 1.88 3h75A1 GLN 120 HB3 -0.19 0.02 0.11 -0.04 2.02 1.92 3h75A1 GLN 120 HG2 -0.21 0.03 0.19 -0.04 2.40 2.38 3h75A1 GLN 120 HG3 -1.06 -0.03 -0.03 -0.04 2.39 1.23 3h75A1 GLN 120 HE21 -0.02 0.01 0.02 -0.04 6.97 6.94 3h75A1 GLN 120 HE22 -0.00 0.00 0.12 -0.04 7.69 7.77 3h75A1 TYR 121 H 0.01 -0.13 -0.17 -0.55 8.29 7.44 3h75A1 TYR 121 HA 0.01 0.36 1.11 -0.75 4.56 5.29 3h75A1 TYR 121 HB2 0.01 -0.11 0.08 -0.04 3.06 3.00 3h75A1 TYR 121 HB3 0.01 0.07 -0.01 -0.04 2.98 3.01 3h75A1 TYR 121 HD2 0.01 0.00 0.01 -0.04 7.15 7.13 3h75A1 TYR 121 HE2 0.00 0.01 -0.01 -0.04 6.85 6.81 3h75A1 VAL 122 H 0.12 -0.06 0.07 -0.55 8.24 7.82 3h75A1 VAL 122 HA 0.07 0.21 0.65 -0.75 4.13 4.31 3h75A1 VAL 122 HB 0.05 -0.04 0.10 -0.04 2.12 2.19 3h75A1 VAL 122 HG13 0.02 0.03 -0.12 -0.04 0.97 0.86 3h75A1 VAL 122 HG23 0.06 -0.00 -0.06 -0.04 0.95 0.90 3h75A1 ALA 123 H 0.04 -0.01 0.01 -0.55 8.40 7.89 3h75A1 ALA 123 HA 0.04 0.11 0.36 -0.75 4.34 4.10 3h75A1 ALA 123 HB3 0.02 0.10 0.16 -0.04 1.41 1.65 3h75A1 PRO 124 HA 0.02 0.11 0.41 -0.51 4.44 4.46 3h75A1 PRO 124 HB2 0.03 0.08 -0.05 -0.04 2.28 2.30 3h75A1 PRO 124 HB3 0.01 0.06 0.00 -0.04 2.02 2.05 3h75A1 PRO 124 HG2 -0.02 0.21 -0.09 -0.04 2.03 2.09 3h75A1 PRO 124 HG3 -0.01 -0.01 -0.02 -0.04 2.03 1.95 3h75A1 PRO 124 HD2 0.03 0.02 -0.75 -0.04 3.68 2.94 3h75A1 PRO 124 HD3 0.00 0.22 -0.02 -0.04 3.65 3.81 3h75A1 GLN 125 H 0.05 0.23 -0.33 -0.55 8.47 7.88 3h75A1 GLN 125 HA 0.04 0.06 0.42 -0.75 4.36 4.12 3h75A1 GLN 125 HB2 0.06 0.07 0.13 -0.04 2.15 2.37 3h75A1 GLN 125 HB3 0.05 -0.01 0.05 -0.04 2.02 2.07 3h75A1 GLN 125 HG2 0.05 -0.03 0.04 -0.04 2.40 2.42 3h75A1 GLN 125 HG3 0.07 0.28 0.18 -0.04 2.39 2.88 3h75A1 GLN 125 HE21 0.04 -0.06 -0.01 -0.04 6.97 6.89 3h75A1 GLN 125 HE22 0.08 0.06 0.03 -0.04 7.69 7.82 3h75A1 ILE 126 H 0.07 0.43 -0.15 -0.55 8.25 8.05 3h75A1 ILE 126 HA 0.20 0.05 0.42 -0.75 4.18 4.10 3h75A1 ILE 126 HB 0.10 0.07 0.09 -0.04 1.89 2.11 3h75A1 ILE 126 HG12 0.10 0.01 0.01 -0.04 1.49 1.57 3h75A1 ILE 126 HG13 0.07 0.07 0.01 -0.04 1.21 1.32 3h75A1 ILE 126 HG23 0.25 0.01 -0.14 -0.04 0.93 1.01 3h75A1 ILE 126 HD13 0.02 -0.03 -0.16 -0.04 0.88 0.67 3h75A1 LEU 127 H 0.05 0.42 -0.21 -0.55 8.37 8.08 3h75A1 LEU 127 HA 0.02 0.06 0.40 -0.75 4.35 4.08 3h75A1 LEU 127 HB2 0.01 0.11 0.18 -0.04 1.64 1.90 3h75A1 LEU 127 HB3 -0.00 0.02 0.00 -0.04 1.64 1.62 3h75A1 LEU 127 HG 0.03 0.11 0.01 -0.04 1.64 1.75 3h75A1 LEU 127 HD13 -0.00 -0.03 -0.06 -0.04 0.93 0.80 3h75A1 LEU 127 HD23 0.02 0.00 -0.06 -0.04 0.89 0.81 3h75A1 ARG 128 H 0.01 0.41 -0.14 -0.55 8.46 8.18 3h75A1 ARG 128 HA -0.03 0.05 0.47 -0.75 4.34 4.07 3h75A1 ARG 128 HB2 0.01 0.06 0.15 -0.04 1.90 2.07 3h75A1 ARG 128 HB3 -0.01 -0.04 0.03 -0.04 1.80 1.75 3h75A1 ARG 128 HG2 -0.01 -0.00 0.03 -0.04 1.67 1.65 3h75A1 ARG 128 HG3 0.01 0.15 0.07 -0.04 1.67 1.85 3h75A1 ARG 128 HD2 0.00 -0.01 0.00 -0.04 3.22 3.17 3h75A1 ARG 128 HD3 0.00 -0.03 -0.02 -0.04 3.22 3.14 3h75A1 LEU 129 H -0.00 0.40 -0.21 -0.55 8.37 8.01 3h75A1 LEU 129 HA -0.07 0.05 0.49 -0.75 4.35 4.07 3h75A1 LEU 129 HB2 0.15 0.03 0.14 -0.04 1.64 1.92 3h75A1 LEU 129 HB3 0.18 0.01 -0.03 -0.04 1.64 1.76 3h75A1 LEU 129 HG 0.07 -0.01 0.03 -0.04 1.64 1.69 3h75A1 LEU 129 HD13 0.04 0.12 -0.00 -0.04 0.93 1.04 3h75A1 LEU 129 HD23 0.14 -0.04 -0.05 -0.04 0.89 0.89 3h75A1 SER 130 H -0.28 0.36 -0.33 -0.55 8.46 7.66 3h75A1 SER 130 HA -1.67 0.05 0.41 -0.75 4.49 2.52 3h75A1 SER 130 HB2 -0.21 -0.03 0.07 -0.04 3.95 3.74 3h75A1 SER 130 HB3 -0.19 0.02 0.08 -0.04 3.93 3.80 3h75A1 GLN 131 H -0.19 0.24 -0.46 -0.55 8.47 7.52 3h75A1 GLN 131 HA -0.08 -0.07 0.41 -0.75 4.36 3.86 3h75A1 GLN 131 HB2 -0.08 0.10 0.14 -0.04 2.15 2.28 3h75A1 GLN 131 HB3 -0.05 -0.09 0.04 -0.04 2.02 1.88 3h75A1 GLN 131 HG2 -0.05 -0.05 0.09 -0.04 2.40 2.34 3h75A1 GLN 131 HG3 -0.08 0.17 0.19 -0.04 2.39 2.64 3h75A1 GLN 131 HE21 -0.02 -0.07 0.03 -0.04 6.97 6.87 3h75A1 GLN 131 HE22 -0.02 0.01 0.03 -0.04 7.69 7.66 3h75A1 GLY 132 H -0.05 0.08 0.26 -0.55 8.43 8.18 3h75A1 GLY 132 HA2 -0.02 -0.05 0.38 -0.51 4.01 3.80 3h75A1 GLY 132 HA3 -0.04 0.10 0.54 -0.51 4.01 4.10 3h75A1 SER 133 H -0.10 0.57 -0.01 -0.55 8.46 8.38 3h75A1 SER 133 HA -0.00 0.16 0.60 -0.75 4.49 4.50 3h75A1 SER 133 HB2 0.13 0.01 0.13 -0.04 3.95 4.19 3h75A1 SER 133 HB3 -0.27 0.09 0.08 -0.04 3.93 3.79 3h75A1 GLY 134 H -0.00 0.03 -0.07 -0.55 8.43 7.85 3h75A1 GLY 134 HA2 0.02 -0.05 0.27 -0.51 4.01 3.74 3h75A1 GLY 134 HA3 0.02 0.12 0.50 -0.51 4.01 4.13 3h75A1 ILE 135 H 0.06 -0.02 -0.45 -0.55 8.25 7.29 3h75A1 ILE 135 HA 0.03 0.27 0.70 -0.75 4.18 4.42 3h75A1 ILE 135 HB 0.25 -0.11 -0.04 -0.04 1.89 1.94 3h75A1 ILE 135 HG12 0.09 0.25 -0.16 -0.04 1.49 1.64 3h75A1 ILE 135 HG13 0.14 0.04 -0.21 -0.04 1.21 1.15 3h75A1 ILE 135 HG23 0.15 0.04 -0.38 -0.04 0.93 0.71 3h75A1 ILE 135 HD13 0.26 -0.03 -0.12 -0.04 0.88 0.95 3h75A1 LYS 136 H -0.03 0.62 0.35 -0.55 8.42 8.81 3h75A1 LYS 136 HA 0.26 0.23 0.74 -0.75 4.32 4.80 3h75A1 LYS 136 HB2 -0.20 0.00 0.21 -0.04 1.87 1.84 3h75A1 LYS 136 HB3 0.75 -0.04 0.03 -0.04 1.79 2.49 3h75A1 LYS 136 HG2 0.25 0.06 0.05 -0.04 1.46 1.78 3h75A1 LYS 136 HG3 -0.06 0.07 0.08 -0.04 1.46 1.51 3h75A1 LYS 136 HD2 -0.60 -0.01 -0.00 -0.04 1.69 1.03 3h75A1 LYS 136 HD3 -0.09 -0.08 -0.04 -0.04 1.68 1.43 3h75A1 LYS 136 HE2 -0.03 -0.01 0.00 -0.04 2.99 2.91 3h75A1 LYS 136 HE3 -0.12 0.03 0.02 -0.04 2.99 2.88 3h75A1 LEU 137 H 0.26 0.54 0.41 -0.55 8.37 9.03 3h75A1 LEU 137 HA 0.30 0.25 1.06 -0.75 4.35 5.21 3h75A1 LEU 137 HB2 0.10 -0.05 0.13 -0.04 1.64 1.77 3h75A1 LEU 137 HB3 0.15 -0.04 0.02 -0.04 1.64 1.73 3h75A1 LEU 137 HG 0.14 0.14 -0.05 -0.04 1.64 1.83 3h75A1 LEU 137 HD13 0.08 -0.02 -0.06 -0.04 0.93 0.89 3h75A1 LEU 137 HD23 0.27 -0.00 -0.15 -0.04 0.89 0.97 3h75A1 PHE 138 H 0.34 0.66 0.31 -0.55 8.34 9.10 3h75A1 PHE 138 HA 0.08 0.18 0.88 -0.75 4.62 5.01 3h75A1 PHE 138 HB2 0.33 0.00 -0.22 -0.04 3.15 3.22 3h75A1 PHE 138 HB3 0.18 -0.03 -0.08 -0.04 3.06 3.09 3h75A1 PHE 138 HD2 0.16 -0.02 -0.14 -0.04 7.28 7.24 3h75A1 PHE 138 HE2 0.36 -0.02 -0.07 -0.04 7.38 7.60 3h75A1 PHE 138 HZ 0.26 0.03 -0.07 -0.04 7.32 7.50 3h75A1 ILE 139 H -0.28 0.64 0.34 -0.55 8.25 8.40 3h75A1 ILE 139 HA 0.02 0.36 0.91 -0.75 4.18 4.71 3h75A1 ILE 139 HB -0.12 -0.03 0.17 -0.04 1.89 1.87 3h75A1 ILE 139 HG12 -0.05 0.10 -0.05 -0.04 1.49 1.45 3h75A1 ILE 139 HG13 -0.03 -0.08 -0.06 -0.04 1.21 1.01 3h75A1 ILE 139 HG23 0.00 -0.03 -0.09 -0.04 0.93 0.78 3h75A1 ILE 139 HD13 0.04 0.02 -0.15 -0.04 0.88 0.76 3h75A1 VAL 140 H 0.08 0.65 0.43 -0.55 8.24 8.85 3h75A1 VAL 140 HA -0.02 0.30 1.23 -0.75 4.13 4.88 3h75A1 VAL 140 HB 0.17 -0.17 0.04 -0.04 2.12 2.12 3h75A1 VAL 140 HG13 0.10 0.06 -0.33 -0.04 0.97 0.76 3h75A1 VAL 140 HG23 0.25 0.04 -0.17 -0.04 0.95 1.03 3h75A1 ASN 141 H 0.13 0.25 0.14 -0.55 8.53 8.50 3h75A1 ASN 141 HA 0.17 -0.07 0.45 -0.75 4.76 4.55 3h75A1 ASN 141 HB2 0.22 0.25 0.15 -0.04 2.88 3.46 3h75A1 ASN 141 HB3 0.22 -0.10 0.09 -0.04 2.79 2.95 3h75A1 ASN 141 HD21 0.29 -0.00 -0.03 -0.04 7.03 7.25 3h75A1 ASN 141 HD22 0.43 -0.04 0.00 -0.04 7.74 8.09 3h75A1 SER 142 H 0.09 0.47 -0.28 -0.55 8.46 8.20 3h75A1 SER 142 HA 0.10 0.14 0.78 -0.75 4.49 4.75 3h75A1 SER 142 HB2 0.09 0.02 0.06 -0.04 3.95 4.08 3h75A1 SER 142 HB3 0.12 -0.14 -0.14 -0.04 3.93 3.73 3h75A1 PRO 143 HA 0.02 0.09 0.36 -0.51 4.44 4.40 3h75A1 PRO 143 HB2 0.03 -0.02 -0.07 -0.04 2.28 2.17 3h75A1 PRO 143 HB3 0.02 0.11 0.03 -0.04 2.02 2.14 3h75A1 PRO 143 HG2 0.05 0.01 0.04 -0.04 2.03 2.09 3h75A1 PRO 143 HG3 0.05 0.12 0.02 -0.04 2.03 2.19 3h75A1 PRO 143 HD2 0.06 0.05 0.14 -0.04 3.68 3.88 3h75A1 PRO 143 HD3 0.08 0.09 0.21 -0.04 3.65 3.99 3h75A1 LEU 144 H -0.01 0.15 0.10 -0.55 8.37 8.07 3h75A1 LEU 144 HA -0.01 0.03 0.51 -0.75 4.35 4.12 3h75A1 LEU 144 HB2 -0.03 -0.00 0.04 -0.04 1.64 1.61 3h75A1 LEU 144 HB3 -0.03 0.06 -0.08 -0.04 1.64 1.54 3h75A1 LEU 144 HG -0.05 -0.01 -0.04 -0.04 1.64 1.50 3h75A1 LEU 144 HD13 -0.08 0.03 -0.15 -0.04 0.93 0.69 3h75A1 LEU 144 HD23 -0.03 0.00 -0.06 -0.04 0.89 0.76 3h75A1 THR 145 H -0.01 0.07 0.12 -0.55 8.28 7.90 3h75A1 THR 145 HA -0.01 0.22 0.57 -0.75 4.39 4.41 3h75A1 THR 145 HB -0.01 -0.06 0.14 -0.04 4.32 4.35 3h75A1 THR 145 HG23 -0.02 0.04 -0.02 -0.04 1.22 1.19 3h75A1 LEU 146 H -0.01 0.16 0.13 -0.55 8.37 8.11 3h75A1 LEU 146 HA -0.01 0.12 0.36 -0.75 4.35 4.06 3h75A1 LEU 146 HB2 -0.01 -0.06 0.10 -0.04 1.64 1.64 3h75A1 LEU 146 HB3 -0.01 0.08 0.01 -0.04 1.64 1.68 3h75A1 LEU 146 HG -0.01 -0.04 0.08 -0.04 1.64 1.63 3h75A1 LEU 146 HD13 -0.00 0.01 0.01 -0.04 0.93 0.91 3h75A1 LEU 146 HD23 -0.01 0.02 0.01 -0.04 0.89 0.87 3h75A1 ASP 147 H -0.01 -0.04 -0.20 -0.55 8.40 7.60 3h75A1 ASP 147 HA -0.01 0.14 0.35 -0.75 4.63 4.35 3h75A1 ASP 147 HB2 -0.01 -0.13 0.08 -0.04 2.71 2.60 3h75A1 ASP 147 HB3 -0.01 0.06 -0.10 -0.04 2.70 2.61 3h75A1 GLN 148 H -0.01 -0.11 -0.29 -0.55 8.47 7.51 3h75A1 GLN 148 HA -0.01 0.06 0.37 -0.75 4.36 4.03 3h75A1 GLN 148 HB2 -0.02 0.04 0.00 -0.04 2.15 2.14 3h75A1 GLN 148 HB3 -0.02 0.06 -0.00 -0.04 2.02 2.02 3h75A1 GLN 148 HG2 -0.01 0.05 -0.01 -0.04 2.40 2.38 3h75A1 GLN 148 HG3 -0.02 -0.16 0.06 -0.04 2.39 2.24 3h75A1 GLN 148 HE21 -0.00 -0.02 -0.05 -0.04 6.97 6.87 3h75A1 GLN 148 HE22 -0.00 0.08 -0.11 -0.04 7.69 7.61 3h75A1 ARG 149 H -0.02 0.23 -0.49 -0.55 8.46 7.63 3h75A1 ARG 149 HA -0.03 0.13 0.38 -0.75 4.34 4.07 3h75A1 ARG 149 HB2 -0.02 0.02 0.04 -0.04 1.90 1.90 3h75A1 ARG 149 HB3 -0.02 -0.02 0.01 -0.04 1.80 1.72 3h75A1 ARG 149 HG2 -0.02 0.15 -0.20 -0.04 1.67 1.55 3h75A1 ARG 149 HG3 -0.02 -0.05 -0.20 -0.04 1.67 1.35 3h75A1 ARG 149 HD2 -0.04 0.07 -0.16 -0.04 3.22 3.05 3h75A1 ARG 149 HD3 -0.04 -0.09 -0.16 -0.04 3.22 2.88 3h75A1 TRP 150 HA 0.07 -0.11 0.26 -0.75 4.62 4.09 3h75A1 TRP 150 HB2 0.07 -0.01 0.05 -0.04 3.23 3.30 3h75A1 TRP 150 HB3 0.10 0.00 0.05 -0.04 3.23 3.34 3h75A1 TRP 150 HD1 0.09 -0.02 0.01 -0.04 7.22 7.26 3h75A1 TRP 150 HE1 0.13 -0.06 -0.02 -0.04 10.20 10.20 3h75A1 TRP 150 HE3 0.29 -0.03 -0.20 -0.04 7.59 7.60 3h75A1 TRP 150 HZ2 0.35 -0.05 -0.01 -0.04 7.44 7.68 3h75A1 TRP 150 HZ3 0.38 0.01 -0.19 -0.04 7.13 7.28 3h75A1 TRP 150 HH2 0.34 -0.01 -0.08 -0.04 7.19 7.40 3h75A1 ILE 151 H -0.64 0.15 0.14 -0.55 8.25 7.35 3h75A1 ILE 151 HA -0.29 0.41 1.01 -0.75 4.18 4.56 3h75A1 ILE 151 HB -0.20 -0.08 0.04 -0.04 1.89 1.61 3h75A1 ILE 151 HG12 -0.00 0.04 -0.01 -0.04 1.49 1.48 3h75A1 ILE 151 HG13 -0.04 -0.01 -0.51 -0.04 1.21 0.62 3h75A1 ILE 151 HG23 -0.12 -0.02 -0.18 -0.04 0.93 0.57 3h75A1 ILE 151 HD13 -0.03 -0.02 -0.41 -0.04 0.88 0.38 3h75A1 GLY 152 H -0.45 0.55 0.36 -0.55 8.43 8.34 3h75A1 GLY 152 HA2 -0.34 0.12 0.89 -0.51 4.01 4.18 3h75A1 GLY 152 HA3 -0.15 0.04 0.41 -0.51 4.01 3.80 3h75A1 SER 153 H 0.05 0.76 0.40 -0.55 8.46 9.12 3h75A1 SER 153 HA -0.76 0.27 0.67 -0.75 4.49 3.92 3h75A1 SER 153 HB2 -0.13 0.09 0.13 -0.04 3.95 4.01 3h75A1 SER 153 HB3 -0.16 -0.01 -0.16 -0.04 3.93 3.56 3h75A1 VAL 155 HA 0.12 -0.31 0.19 -0.75 4.13 3.37 3h75A1 VAL 155 HB 0.10 -0.03 -0.11 -0.04 2.12 2.04 3h75A1 VAL 155 HG13 0.07 -0.03 -0.40 -0.04 0.97 0.57 3h75A1 VAL 155 HG23 0.10 0.08 -0.07 -0.04 0.95 1.03 3h75A1 GLY 156 H 0.12 0.07 0.11 -0.55 8.43 8.19 3h75A1 GLY 156 HA2 0.09 0.31 0.80 -0.51 4.01 4.69 3h75A1 GLY 156 HA3 0.04 -0.19 0.40 -0.51 4.01 3.75 3h75A1 ASP 157 H 0.14 -0.05 0.12 -0.55 8.40 8.07 3h75A1 ASP 157 HA 0.15 0.30 1.01 -0.75 4.63 5.34 3h75A1 ASP 157 HB2 0.15 -0.06 0.19 -0.04 2.71 2.95 3h75A1 ASP 157 HB3 0.13 0.29 0.03 -0.04 2.70 3.11 3h75A1 ASP 158 H 0.21 0.30 -0.07 -0.55 8.40 8.29 3h75A1 ASP 158 HA 0.18 0.03 0.40 -0.75 4.63 4.49 3h75A1 ASP 158 HB2 0.16 0.06 0.10 -0.04 2.71 2.99 3h75A1 ASP 158 HB3 0.14 0.05 -0.03 -0.04 2.70 2.82 3h75A1 GLU 159 H 0.12 0.14 -0.15 -0.55 8.60 8.17 3h75A1 GLU 159 HA 0.12 0.30 0.34 -0.75 4.29 4.29 3h75A1 GLU 159 HB2 0.08 -0.02 0.10 -0.04 2.09 2.21 3h75A1 GLU 159 HB3 0.06 0.01 0.03 -0.04 1.99 2.05 3h75A1 GLU 159 HG2 0.04 0.01 -0.13 -0.04 2.34 2.21 3h75A1 GLU 159 HG3 0.07 0.04 0.03 -0.04 2.34 2.43 3h75A1 GLU 160 H 0.11 0.09 -0.25 -0.55 8.60 8.00 3h75A1 GLU 160 HA 0.14 0.10 0.38 -0.75 4.29 4.15 3h75A1 GLU 160 HB2 0.10 0.02 0.09 -0.04 2.09 2.25 3h75A1 GLU 160 HB3 0.14 0.08 0.13 -0.04 1.99 2.30 3h75A1 GLU 160 HG2 0.12 0.03 -0.03 -0.04 2.34 2.42 3h75A1 GLU 160 HG3 0.13 -0.02 -0.23 -0.04 2.34 2.18 3h75A1 ALA 161 H 0.01 0.28 -0.23 -0.55 8.40 7.91 3h75A1 ALA 161 HA -0.13 0.02 0.35 -0.75 4.34 3.82 3h75A1 ALA 161 HB3 -0.81 -0.00 0.08 -0.04 1.41 0.63 3h75A1 GLY 162 H 0.07 0.41 -0.10 -0.55 8.43 8.27 3h75A1 GLY 162 HA2 0.37 -0.00 0.39 -0.51 4.01 4.25 3h75A1 GLY 162 HA3 0.40 0.13 0.43 -0.51 4.01 4.47 3h75A1 TYR 163 H 0.27 0.42 -0.16 -0.55 8.29 8.27 3h75A1 TYR 163 HA 0.09 0.16 0.25 -0.75 4.56 4.30 3h75A1 TYR 163 HB2 0.06 -0.06 0.14 -0.04 3.06 3.15 3h75A1 TYR 163 HB3 0.06 0.01 0.18 -0.04 2.98 3.20 3h75A1 TYR 163 HD2 0.04 0.05 -0.01 -0.04 7.15 7.18 3h75A1 TYR 163 HE2 0.04 0.02 -0.15 -0.04 6.85 6.73 3h75A1 ARG 164 H 0.17 0.70 -0.05 -0.55 8.46 8.73 3h75A1 ARG 164 HA -0.11 0.00 0.22 -0.75 4.34 3.70 3h75A1 ARG 164 HB2 0.04 0.06 0.11 -0.04 1.90 2.07 3h75A1 ARG 164 HB3 0.02 -0.08 0.09 -0.04 1.80 1.79 3h75A1 ARG 164 HG2 0.21 0.08 0.06 -0.04 1.67 1.97 3h75A1 ARG 164 HG3 0.10 -0.08 -0.03 -0.04 1.67 1.61 3h75A1 ARG 164 HD2 0.05 -0.01 0.00 -0.04 3.22 3.21 3h75A1 ARG 164 HD3 0.00 0.01 -0.02 -0.04 3.22 3.16 3h75A1 LEU 166 HA 0.12 -0.10 0.31 -0.75 4.35 3.92 3h75A1 LEU 166 HB2 0.01 -0.02 0.11 -0.04 1.64 1.70 3h75A1 LEU 166 HB3 -0.06 0.08 0.05 -0.04 1.64 1.67 3h75A1 LEU 166 HG -0.11 0.00 -0.21 -0.04 1.64 1.28 3h75A1 LEU 166 HD13 -0.03 -0.03 -0.03 -0.04 0.93 0.81 3h75A1 LEU 166 HD23 -0.11 -0.01 -0.14 -0.04 0.89 0.59 3h75A1 LYS 167 H -0.17 0.55 -0.58 -0.55 8.42 7.66 3h75A1 LYS 167 HA -0.19 0.03 0.37 -0.75 4.32 3.77 3h75A1 LYS 167 HB2 -0.21 0.03 0.07 -0.04 1.87 1.72 3h75A1 LYS 167 HB3 -0.14 -0.05 -0.02 -0.04 1.79 1.55 3h75A1 LYS 167 HG2 -0.22 -0.00 -0.01 -0.04 1.46 1.18 3h75A1 LYS 167 HG3 -0.69 0.15 -0.03 -0.04 1.46 0.85 3h75A1 LYS 167 HD2 -0.67 -0.02 -0.07 -0.04 1.69 0.90 3h75A1 LYS 167 HD3 -0.45 -0.05 -0.10 -0.04 1.68 1.04 3h75A1 LYS 167 HE2 0.05 -0.04 -0.04 -0.04 2.99 2.92 3h75A1 LYS 167 HE3 -0.06 0.00 -0.04 -0.04 2.99 2.85 3h75A1 GLU 168 H -0.04 0.74 0.22 -0.55 8.60 8.98 3h75A1 GLU 168 HA 0.02 0.04 0.46 -0.75 4.29 4.05 3h75A1 GLU 168 HB2 0.00 0.05 0.05 -0.04 2.09 2.15 3h75A1 GLU 168 HB3 0.02 0.01 -0.07 -0.04 1.99 1.92 3h75A1 GLU 168 HG2 -0.02 0.05 0.09 -0.04 2.34 2.41 3h75A1 GLU 168 HG3 -0.00 -0.11 0.04 -0.04 2.34 2.22 3h75A1 LEU 169 H 0.01 0.15 -0.24 -0.55 8.37 7.75 3h75A1 LEU 169 HA 0.01 0.05 0.31 -0.75 4.35 3.97 3h75A1 LEU 169 HB2 0.02 0.12 0.07 -0.04 1.64 1.81 3h75A1 LEU 169 HB3 -0.00 0.03 -0.10 -0.04 1.64 1.53 3h75A1 LEU 169 HG 0.04 -0.06 -0.13 -0.04 1.64 1.46 3h75A1 LEU 169 HD13 0.11 -0.01 -0.12 -0.04 0.93 0.87 3h75A1 LEU 169 HD23 0.02 0.01 -0.41 -0.04 0.89 0.47 3h75A1 LEU 170 H -0.06 0.61 -0.18 -0.55 8.37 8.19 3h75A1 LEU 170 HA -0.08 0.04 0.35 -0.75 4.35 3.91 3h75A1 LEU 170 HB2 -0.18 0.11 0.13 -0.04 1.64 1.66 3h75A1 LEU 170 HB3 -0.18 -0.04 -0.05 -0.04 1.64 1.32 3h75A1 LEU 170 HG -0.15 0.02 -0.02 -0.04 1.64 1.45 3h75A1 LEU 170 HD13 -0.55 -0.02 -0.10 -0.04 0.93 0.21 3h75A1 LEU 170 HD23 -0.13 -0.01 -0.05 -0.04 0.89 0.66 3h75A1 HIS 171 H 0.05 0.41 -0.25 -0.55 8.41 8.09 3h75A1 HIS 171 HA -0.04 -0.01 0.40 -0.75 4.63 4.23 3h75A1 HIS 171 HB2 -0.04 0.02 0.14 -0.04 3.26 3.34 3h75A1 HIS 171 HB3 -0.03 0.10 0.17 -0.04 3.20 3.40 3h75A1 HIS 171 HD2 -0.01 0.01 -0.09 -0.04 6.97 6.84 3h75A1 HIS 171 HE1 -0.00 -0.05 0.01 -0.04 7.75 7.67 3h75A1 LYS 172 H 0.03 0.48 -0.13 -0.55 8.42 8.25 3h75A1 LYS 172 HA -0.11 0.01 0.46 -0.75 4.32 3.93 3h75A1 LYS 172 HB2 0.00 0.03 0.09 -0.04 1.87 1.95 3h75A1 LYS 172 HB3 -0.01 0.01 0.03 -0.04 1.79 1.79 3h75A1 LYS 172 HG2 0.05 -0.06 0.02 -0.04 1.46 1.43 3h75A1 LYS 172 HG3 0.07 0.14 0.08 -0.04 1.46 1.71 3h75A1 LYS 172 HD2 0.03 -0.10 -0.11 -0.04 1.69 1.47 3h75A1 LYS 172 HD3 0.03 0.02 0.03 -0.04 1.68 1.72 3h75A1 LYS 172 HE2 0.05 -0.14 -0.04 -0.04 2.99 2.82 3h75A1 LYS 172 HE3 0.03 0.41 0.10 -0.04 2.99 3.50 3h75A1 LEU 173 H -0.05 0.41 -0.20 -0.55 8.37 7.98 3h75A1 LEU 173 HA -0.04 0.01 0.40 -0.75 4.35 3.97 3h75A1 LEU 173 HB2 -0.05 -0.07 0.05 -0.04 1.64 1.53 3h75A1 LEU 173 HB3 -0.06 0.06 0.09 -0.04 1.64 1.69 3h75A1 LEU 173 HG -0.05 0.17 -0.17 -0.04 1.64 1.55 3h75A1 LEU 173 HD13 -0.04 -0.01 0.01 -0.04 0.93 0.86 3h75A1 LEU 173 HD23 -0.05 -0.05 -0.09 -0.04 0.89 0.66 3h75A1 GLY 174 H -0.10 0.26 -0.31 -0.55 8.43 7.73 3h75A1 GLY 174 HA2 -0.11 -0.05 0.30 -0.51 4.01 3.64 3h75A1 GLY 174 HA3 -0.09 0.06 0.42 -0.51 4.01 3.90 3h75A1 PRO 175 HA -0.05 -0.04 0.43 -0.51 4.44 4.27 3h75A1 PRO 175 HB2 -0.05 0.04 0.02 -0.04 2.28 2.26 3h75A1 PRO 175 HB3 -0.04 -0.06 0.10 -0.04 2.02 1.97 3h75A1 PRO 175 HG2 -0.04 -0.00 0.08 -0.04 2.03 2.03 3h75A1 PRO 175 HG3 -0.03 -0.01 0.08 -0.04 2.03 2.03 3h75A1 PRO 175 HD2 -0.06 0.14 0.22 -0.04 3.68 3.94 3h75A1 PRO 175 HD3 -0.07 0.10 0.20 -0.04 3.65 3.84 3h75A1 VAL 176 H -0.07 0.01 0.21 -0.55 8.24 7.84 3h75A1 VAL 176 HA -0.12 -0.01 0.36 -0.75 4.13 3.60 3h75A1 VAL 176 HB -0.07 0.38 0.22 -0.04 2.12 2.62 3h75A1 VAL 176 HG13 -0.06 -0.01 -0.30 -0.04 0.97 0.55 3h75A1 VAL 176 HG23 -0.10 -0.03 0.05 -0.04 0.95 0.82 3h75A1 PRO 177 HA -0.03 0.20 0.30 -0.51 4.44 4.40 3h75A1 PRO 177 HB2 -0.02 0.00 0.06 -0.04 2.28 2.28 3h75A1 PRO 177 HB3 -0.00 -0.08 0.19 -0.04 2.02 2.08 3h75A1 PRO 177 HG2 -0.02 0.04 0.06 -0.04 2.03 2.07 3h75A1 PRO 177 HG3 -0.03 0.12 0.05 -0.04 2.03 2.13 3h75A1 PRO 177 HD2 -0.05 -0.09 0.27 -0.04 3.68 3.77 3h75A1 PRO 177 HD3 -0.05 0.39 0.12 -0.04 3.65 4.06 3h75A1 ALA 178 H 0.02 0.07 0.15 -0.55 8.40 8.10 3h75A1 ALA 178 HA 0.04 -0.04 0.39 -0.75 4.34 3.99 3h75A1 ALA 178 HB3 0.01 0.10 0.20 -0.04 1.41 1.68 3h75A1 GLY 179 H 0.08 0.08 0.09 -0.55 8.43 8.13 3h75A1 GLY 179 HA2 0.05 -0.03 0.33 -0.51 4.01 3.85 3h75A1 GLY 179 HA3 0.07 0.16 0.57 -0.51 4.01 4.30 3h75A1 HIS 180 H 0.36 0.10 -0.70 -0.55 8.41 7.63 3h75A1 HIS 180 HA 0.00 0.10 0.79 -0.75 4.63 4.77 3h75A1 HIS 180 HB2 -0.02 0.05 -0.10 -0.04 3.26 3.14 3h75A1 HIS 180 HB3 -0.02 0.06 0.01 -0.04 3.20 3.21 3h75A1 HIS 180 HD2 -0.00 -0.02 0.01 -0.04 6.97 6.91 3h75A1 HIS 180 HE1 -0.00 -0.05 0.07 -0.04 7.75 7.73 3h75A1 GLY 181 H 0.04 0.08 0.14 -0.55 8.43 8.14 3h75A1 GLY 181 HA2 -0.23 0.19 0.71 -0.51 4.01 4.18 3h75A1 GLY 181 HA3 -0.28 -0.02 0.30 -0.51 4.01 3.50 3h75A1 ILE 182 H -0.38 0.65 0.23 -0.55 8.25 8.20 3h75A1 ILE 182 HA -0.08 0.22 0.82 -0.75 4.18 4.40 3h75A1 ILE 182 HB -0.13 -0.09 0.04 -0.04 1.89 1.67 3h75A1 ILE 182 HG12 -0.06 0.12 -0.16 -0.04 1.49 1.35 3h75A1 ILE 182 HG13 -0.09 -0.03 -0.36 -0.04 1.21 0.69 3h75A1 ILE 182 HG23 -0.08 0.01 -0.16 -0.04 0.93 0.66 3h75A1 ILE 182 HD13 -0.07 -0.01 -0.13 -0.04 0.88 0.63 3h75A1 GLU 183 H -0.04 0.30 0.03 -0.55 8.60 8.34 3h75A1 GLU 183 HA -0.04 0.19 0.73 -0.75 4.29 4.41 3h75A1 GLU 183 HB2 -0.00 0.11 -0.27 -0.04 2.09 1.88 3h75A1 GLU 183 HB3 -0.03 -0.00 -0.02 -0.04 1.99 1.89 3h75A1 GLU 183 HG2 0.05 0.00 -0.09 -0.04 2.34 2.27 3h75A1 GLU 183 HG3 0.02 0.07 -0.11 -0.04 2.34 2.28 3h75A1 LEU 184 H -0.08 0.60 0.40 -0.55 8.37 8.74 3h75A1 LEU 184 HA -0.06 0.31 1.08 -0.75 4.35 4.93 3h75A1 LEU 184 HB2 -0.07 0.06 -0.15 -0.04 1.64 1.44 3h75A1 LEU 184 HB3 -0.08 -0.03 -0.13 -0.04 1.64 1.35 3h75A1 LEU 184 HG -0.08 -0.05 -0.51 -0.04 1.64 0.95 3h75A1 LEU 184 HD13 0.02 0.03 -0.13 -0.04 0.93 0.81 3h75A1 LEU 184 HD23 -0.15 -0.02 -0.16 -0.04 0.89 0.52 3h75A1 LEU 185 H -0.03 0.64 0.45 -0.55 8.37 8.89 3h75A1 LEU 185 HA -0.16 0.15 1.02 -0.75 4.35 4.61 3h75A1 LEU 185 HB2 0.08 0.02 0.15 -0.04 1.64 1.85 3h75A1 LEU 185 HB3 -0.10 -0.04 0.03 -0.04 1.64 1.50 3h75A1 LEU 185 HG -0.02 0.01 -0.17 -0.04 1.64 1.42 3h75A1 LEU 185 HD13 0.16 0.02 -0.17 -0.04 0.93 0.90 3h75A1 LEU 185 HD23 -0.10 0.00 0.02 -0.04 0.89 0.77 3h75A1 ALA 186 H -0.24 0.61 0.43 -0.55 8.40 8.65 3h75A1 ALA 186 HA 0.26 0.38 1.14 -0.75 4.34 5.36 3h75A1 ALA 186 HB3 -0.13 -0.02 0.01 -0.04 1.41 1.22 3h75A1 PHE 187 H 0.51 0.76 0.39 -0.55 8.34 9.45 3h75A1 PHE 187 HA 0.01 0.18 1.03 -0.75 4.62 5.09 3h75A1 PHE 187 HB2 0.10 0.03 0.27 -0.04 3.15 3.51 3h75A1 PHE 187 HB3 0.06 -0.11 0.06 -0.04 3.06 3.03 3h75A1 PHE 187 HD2 0.08 0.01 -0.11 -0.04 7.28 7.22 3h75A1 PHE 187 HE2 0.07 0.02 -0.12 -0.04 7.38 7.31 3h75A1 PHE 187 HZ 0.07 0.03 -0.15 -0.04 7.32 7.24 3h75A1 SER 188 H -0.10 0.80 0.39 -0.55 8.46 9.00 3h75A1 SER 188 HA 0.20 0.11 0.87 -0.75 4.49 4.92 3h75A1 SER 188 HB2 -0.02 0.10 -0.04 -0.04 3.95 3.94 3h75A1 SER 188 HB3 -0.31 0.04 -0.01 -0.04 3.93 3.61 3h75A1 GLY 189 H -0.36 0.17 0.05 -0.55 8.43 7.74 3h75A1 GLY 189 HA2 -0.95 -0.12 0.56 -0.51 4.01 3.00 3h75A1 GLY 189 HA3 -3.03 0.04 0.34 -0.51 4.01 0.85 3h75A1 LEU 190 H -1.40 0.14 0.07 -0.55 8.37 6.64 3h75A1 LEU 190 HA -0.20 0.14 0.62 -0.75 4.35 4.16 3h75A1 LEU 190 HB2 0.10 -0.06 0.19 -0.04 1.64 1.83 3h75A1 LEU 190 HB3 0.01 0.03 0.06 -0.04 1.64 1.69 3h75A1 LEU 190 HG -0.17 -0.07 -0.02 -0.04 1.64 1.34 3h75A1 LEU 190 HD13 0.36 0.02 0.02 -0.04 0.93 1.29 3h75A1 LEU 190 HD23 0.02 0.04 0.06 -0.04 0.89 0.97 3h75A1 LYS 191 H -0.28 0.23 0.17 -0.55 8.42 8.00 3h75A1 LYS 191 HA -0.24 0.06 0.23 -0.75 4.32 3.61 3h75A1 LYS 191 HB2 -1.41 0.04 0.12 -0.04 1.87 0.58 3h75A1 LYS 191 HB3 -0.41 -0.02 0.09 -0.04 1.79 1.41 3h75A1 LYS 191 HG2 -0.26 0.02 -0.19 -0.04 1.46 0.99 3h75A1 LYS 191 HG3 -0.63 0.01 0.00 -0.04 1.46 0.80 3h75A1 LYS 191 HD2 -0.73 0.01 -0.00 -0.04 1.69 0.92 3h75A1 LYS 191 HD3 -0.29 -0.00 -0.03 -0.04 1.68 1.32 3h75A1 LYS 191 HE2 -0.09 -0.00 -0.05 -0.04 2.99 2.81 3h75A1 LYS 191 HE3 -0.05 0.01 -0.03 -0.04 2.99 2.88 3h75A1 VAL 192 H -0.06 0.03 -0.22 -0.55 8.24 7.44 3h75A1 VAL 192 HA 0.01 0.21 0.46 -0.75 4.13 4.06 3h75A1 VAL 192 HB 0.16 -0.00 0.13 -0.04 2.12 2.37 3h75A1 VAL 192 HG13 0.05 0.02 0.01 -0.04 0.97 1.01 3h75A1 VAL 192 HG23 0.09 -0.02 -0.10 -0.04 0.95 0.88 3h75A1 THR 193 H 0.07 0.42 -0.36 -0.55 8.28 7.87 3h75A1 THR 193 HA 0.13 0.22 0.81 -0.75 4.39 4.80 3h75A1 THR 193 HB 0.31 0.02 0.14 -0.04 4.32 4.75 3h75A1 THR 193 HG23 0.27 -0.00 0.01 -0.04 1.22 1.46 3h75A1 PRO 194 HA 0.11 0.11 0.48 -0.51 4.44 4.63 3h75A1 PRO 194 HB2 0.12 0.05 -0.00 -0.04 2.28 2.40 3h75A1 PRO 194 HB3 0.08 0.11 0.07 -0.04 2.02 2.24 3h75A1 PRO 194 HG2 0.15 -0.06 0.14 -0.04 2.03 2.23 3h75A1 PRO 194 HG3 0.10 0.21 -0.00 -0.04 2.03 2.29 3h75A1 PRO 194 HD2 0.14 0.07 0.36 -0.04 3.68 4.22 3h75A1 PRO 194 HD3 0.08 0.15 0.23 -0.04 3.65 4.07 3h75A1 ALA 195 H 0.26 0.15 -0.13 -0.55 8.40 8.14 3h75A1 ALA 195 HA 0.21 0.09 0.40 -0.75 4.34 4.29 3h75A1 ALA 195 HB3 0.30 0.01 0.07 -0.04 1.41 1.74 3h75A1 ALA 196 H 0.39 0.11 -0.28 -0.55 8.40 8.07 3h75A1 ALA 196 HA 0.32 0.01 0.46 -0.75 4.34 4.38 3h75A1 ALA 196 HB3 0.05 0.02 -0.03 -0.04 1.41 1.41 3h75A1 GLN 197 H 0.16 0.55 -0.05 -0.55 8.47 8.59 3h75A1 GLN 197 HA 0.12 0.06 0.37 -0.75 4.36 4.15 3h75A1 GLN 197 HB2 0.10 -0.03 0.12 -0.04 2.15 2.30 3h75A1 GLN 197 HB3 0.07 0.01 -0.01 -0.04 2.02 2.05 3h75A1 GLN 197 HG2 0.06 0.02 0.02 -0.04 2.40 2.46 3h75A1 GLN 197 HG3 0.09 0.30 -0.02 -0.04 2.39 2.72 3h75A1 GLN 197 HE21 -0.00 -0.03 -0.05 -0.04 6.97 6.85 3h75A1 GLN 197 HE22 0.01 0.04 -0.03 -0.04 7.69 7.68 3h75A1 LEU 198 H 0.15 0.77 -0.08 -0.55 8.37 8.66 3h75A1 LEU 198 HA 0.10 0.08 0.45 -0.75 4.35 4.22 3h75A1 LEU 198 HB2 0.15 0.07 0.11 -0.04 1.64 1.92 3h75A1 LEU 198 HB3 0.12 -0.19 -0.05 -0.04 1.64 1.47 3h75A1 LEU 198 HG 0.10 0.06 0.09 -0.04 1.64 1.85 3h75A1 LEU 198 HD13 0.11 -0.03 0.01 -0.04 0.93 0.98 3h75A1 LEU 198 HD23 0.07 0.00 0.02 -0.04 0.89 0.94 3h75A1 ARG 199 H 0.21 0.49 -0.18 -0.55 8.46 8.43 3h75A1 ARG 199 HA 0.22 0.08 0.48 -0.75 4.34 4.36 3h75A1 ARG 199 HB2 0.33 0.03 0.20 -0.04 1.90 2.42 3h75A1 ARG 199 HB3 0.33 0.01 0.06 -0.04 1.80 2.16 3h75A1 ARG 199 HG2 -0.00 0.06 0.10 -0.04 1.67 1.78 3h75A1 ARG 199 HG3 0.14 -0.01 0.12 -0.04 1.67 1.88 3h75A1 ARG 199 HD2 0.22 -0.06 0.04 -0.04 3.22 3.37 3h75A1 ARG 199 HD3 -0.11 0.07 0.07 -0.04 3.22 3.20 3h75A1 GLU 200 H 0.23 0.55 -0.21 -0.55 8.60 8.63 3h75A1 GLU 200 HA -0.11 0.03 0.38 -0.75 4.29 3.85 3h75A1 GLU 200 HB2 0.13 -0.03 0.07 -0.04 2.09 2.22 3h75A1 GLU 200 HB3 0.08 0.12 0.09 -0.04 1.99 2.24 3h75A1 GLU 200 HG2 -0.08 0.00 -0.15 -0.04 2.34 2.08 3h75A1 GLU 200 HG3 -0.19 -0.03 -0.00 -0.04 2.34 2.08 3h75A1 ARG 201 H 0.09 0.47 -0.19 -0.55 8.46 8.28 3h75A1 ARG 201 HA 0.01 0.03 0.40 -0.75 4.34 4.02 3h75A1 ARG 201 HB2 0.04 0.02 0.11 -0.04 1.90 2.03 3h75A1 ARG 201 HB3 0.06 0.08 0.20 -0.04 1.80 2.10 3h75A1 ARG 201 HG2 0.03 -0.03 -0.02 -0.04 1.67 1.60 3h75A1 ARG 201 HG3 0.02 0.00 -0.26 -0.04 1.67 1.39 3h75A1 ARG 201 HD2 0.01 -0.03 0.09 -0.04 3.22 3.24 3h75A1 ARG 201 HD3 0.01 -0.00 0.01 -0.04 3.22 3.20 3h75A1 GLY 202 H 0.12 0.40 -0.23 -0.55 8.43 8.17 3h75A1 GLY 202 HA2 0.11 -0.01 0.40 -0.51 4.01 4.00 3h75A1 GLY 202 HA3 0.19 0.13 0.35 -0.51 4.01 4.17 3h75A1 LEU 203 H 0.03 0.40 -0.24 -0.55 8.37 8.02 3h75A1 LEU 203 HA -0.14 0.17 0.36 -0.75 4.35 3.98 3h75A1 LEU 203 HB2 -1.20 0.02 0.06 -0.04 1.64 0.48 3h75A1 LEU 203 HB3 -0.56 0.07 0.18 -0.04 1.64 1.28 3h75A1 LEU 203 HG -0.49 0.00 -0.34 -0.04 1.64 0.77 3h75A1 LEU 203 HD13 -0.92 0.00 -0.01 -0.04 0.93 -0.04 3h75A1 LEU 203 HD23 -1.29 -0.03 -0.08 -0.04 0.89 -0.55 3h75A1 ARG 204 H -0.10 0.65 -0.13 -0.55 8.46 8.33 3h75A1 ARG 204 HA -0.10 0.00 0.36 -0.75 4.34 3.85 3h75A1 ARG 204 HB2 -0.03 0.11 0.12 -0.04 1.90 2.07 3h75A1 ARG 204 HB3 -0.04 -0.04 0.00 -0.04 1.80 1.68 3h75A1 ARG 204 HG2 -0.11 0.22 0.03 -0.04 1.67 1.77 3h75A1 ARG 204 HG3 -0.05 -0.08 -0.05 -0.04 1.67 1.46 3h75A1 ARG 204 HD2 -0.07 0.00 -0.02 -0.04 3.22 3.10 3h75A1 ARG 204 HD3 -0.13 0.00 -0.04 -0.04 3.22 3.01 3h75A1 ARG 205 H 0.04 0.47 -0.27 -0.55 8.46 8.15 3h75A1 ARG 205 HA 0.03 0.01 0.44 -0.75 4.34 4.07 3h75A1 ARG 205 HB2 0.09 0.14 0.18 -0.04 1.90 2.27 3h75A1 ARG 205 HB3 -0.00 -0.04 -0.01 -0.04 1.80 1.71 3h75A1 ARG 205 HG2 -0.03 -0.03 0.01 -0.04 1.67 1.59 3h75A1 ARG 205 HG3 -0.00 0.08 0.03 -0.04 1.67 1.73 3h75A1 ARG 205 HD2 -0.06 -0.05 -0.05 -0.04 3.22 3.02 3h75A1 ARG 205 HD3 -0.06 -0.05 -0.09 -0.04 3.22 2.99 3h75A1 ALA 206 H 0.20 0.49 -0.13 -0.55 8.40 8.41 3h75A1 ALA 206 HA 0.25 0.00 0.41 -0.75 4.34 4.25 3h75A1 ALA 206 HB3 -0.05 0.03 0.11 -0.04 1.41 1.45 3h75A1 LEU 207 H -0.01 0.54 -0.14 -0.55 8.37 8.21 3h75A1 LEU 207 HA 0.03 0.07 0.40 -0.75 4.35 4.09 3h75A1 LEU 207 HB2 -0.05 0.05 0.10 -0.04 1.64 1.70 3h75A1 LEU 207 HB3 -0.04 -0.00 -0.03 -0.04 1.64 1.53 3h75A1 LEU 207 HG -0.15 0.13 -0.02 -0.04 1.64 1.56 3h75A1 LEU 207 HD13 -0.17 -0.04 -0.11 -0.04 0.93 0.57 3h75A1 LEU 207 HD23 -0.08 0.00 -0.09 -0.04 0.89 0.68 3h75A1 ALA 208 H 0.02 0.43 -0.31 -0.55 8.40 8.00 3h75A1 ALA 208 HA -0.00 0.03 0.40 -0.75 4.34 4.01 3h75A1 ALA 208 HB3 0.00 0.01 0.09 -0.04 1.41 1.47 3h75A1 GLU 209 H 0.04 0.32 -0.46 -0.55 8.60 7.95 3h75A1 GLU 209 HA -0.10 0.06 0.62 -0.75 4.29 4.12 3h75A1 GLU 209 HB2 -0.01 0.13 0.09 -0.04 2.09 2.25 3h75A1 GLU 209 HB3 -0.22 -0.08 0.11 -0.04 1.99 1.76 3h75A1 GLU 209 HG2 0.00 -0.07 -0.02 -0.04 2.34 2.21 3h75A1 GLU 209 HG3 0.06 0.22 0.03 -0.04 2.34 2.61 3h75A1 HIS 210 H 0.03 0.33 -0.48 -0.55 8.41 7.76 3h75A1 HIS 210 HA -0.00 0.13 0.89 -0.75 4.63 4.89 3h75A1 HIS 210 HB2 -0.03 0.07 0.15 -0.04 3.26 3.41 3h75A1 HIS 210 HB3 -0.03 -0.12 0.11 -0.04 3.20 3.11 3h75A1 HIS 210 HD2 -0.03 0.21 -0.05 -0.04 6.97 7.06 3h75A1 HIS 210 HE1 -0.00 -0.04 -0.04 -0.04 7.75 7.63 3h75A1 PRO 211 HA 0.06 0.17 0.43 -0.51 4.44 4.59 3h75A1 PRO 211 HB2 0.04 -0.02 -0.00 -0.04 2.28 2.26 3h75A1 PRO 211 HB3 0.02 0.04 0.09 -0.04 2.02 2.12 3h75A1 PRO 211 HG2 0.02 -0.04 0.01 -0.04 2.03 1.98 3h75A1 PRO 211 HG3 -0.00 0.02 0.02 -0.04 2.03 2.03 3h75A1 PRO 211 HD2 -0.04 0.17 0.02 -0.04 3.68 3.78 3h75A1 PRO 211 HD3 -0.03 0.24 -0.18 -0.04 3.65 3.64 3h75A1 GLN 212 H 0.04 0.05 -0.46 -0.55 8.47 7.56 3h75A1 GLN 212 HA -0.02 0.05 0.40 -0.75 4.36 4.04 3h75A1 GLN 212 HB2 0.01 -0.06 0.04 -0.04 2.15 2.10 3h75A1 GLN 212 HB3 0.00 0.02 -0.01 -0.04 2.02 1.99 3h75A1 GLN 212 HG2 -0.11 -0.05 -0.15 -0.04 2.40 2.05 3h75A1 GLN 212 HG3 -0.08 0.06 0.12 -0.04 2.39 2.45 3h75A1 GLN 212 HE21 -0.01 -0.04 0.01 -0.04 6.97 6.88 3h75A1 GLN 212 HE22 -0.01 0.02 -0.05 -0.04 7.69 7.62 3h75A1 VAL 213 H 0.00 0.48 -0.21 -0.55 8.24 7.97 3h75A1 VAL 213 HA -0.16 0.14 0.69 -0.75 4.13 4.05 3h75A1 VAL 213 HB -0.01 0.13 0.15 -0.04 2.12 2.35 3h75A1 VAL 213 HG13 -0.07 -0.03 -0.19 -0.04 0.97 0.64 3h75A1 VAL 213 HG23 -0.06 -0.03 -0.02 -0.04 0.95 0.79 3h75A1 HIS 214 H -0.12 0.63 0.19 -0.55 8.41 8.56 3h75A1 HIS 214 HA -0.06 0.20 0.93 -0.75 4.63 4.94 3h75A1 HIS 214 HB2 -0.06 -0.09 0.05 -0.04 3.26 3.13 3h75A1 HIS 214 HB3 -0.06 0.00 -0.07 -0.04 3.20 3.03 3h75A1 HIS 214 HD2 -0.03 0.28 -0.54 -0.04 6.97 6.64 3h75A1 HIS 214 HE1 -0.01 -0.04 -0.05 -0.04 7.75 7.61 3h75A1 LEU 215 H -0.02 0.23 0.02 -0.55 8.37 8.05 3h75A1 LEU 215 HA -0.12 0.11 0.56 -0.75 4.35 4.14 3h75A1 LEU 215 HB2 -0.13 0.02 -0.00 -0.04 1.64 1.49 3h75A1 LEU 215 HB3 -0.10 0.02 0.12 -0.04 1.64 1.63 3h75A1 LEU 215 HG -0.16 -0.04 -0.38 -0.04 1.64 1.01 3h75A1 LEU 215 HD13 -0.19 0.03 -0.23 -0.04 0.93 0.50 3h75A1 LEU 215 HD23 -0.18 -0.01 -0.11 -0.04 0.89 0.55 3h75A1 ARG 216 H -0.22 0.60 0.45 -0.55 8.46 8.73 3h75A1 ARG 216 HA -0.26 0.08 0.51 -0.75 4.34 3.92 3h75A1 ARG 216 HB2 -0.74 0.02 0.14 -0.04 1.90 1.28 3h75A1 ARG 216 HB3 -1.41 -0.03 0.06 -0.04 1.80 0.38 3h75A1 ARG 216 HG2 -0.22 0.04 0.14 -0.04 1.67 1.59 3h75A1 ARG 216 HG3 -0.34 -0.02 0.02 -0.04 1.67 1.28 3h75A1 ARG 216 HD2 -0.11 -0.01 -0.30 -0.04 3.22 2.76 3h75A1 ARG 216 HD3 -0.03 -0.02 -0.04 -0.04 3.22 3.09 3h75A1 GLN 217 H -0.26 0.24 0.10 -0.55 8.47 8.00 3h75A1 GLN 217 HA -0.16 0.09 0.47 -0.75 4.36 4.01 3h75A1 GLN 217 HB2 -0.14 0.17 -0.31 -0.04 2.15 1.82 3h75A1 GLN 217 HB3 -0.15 -0.07 -0.05 -0.04 2.02 1.70 3h75A1 GLN 217 HG2 -0.08 -0.08 -0.16 -0.04 2.40 2.05 3h75A1 GLN 217 HG3 -0.11 -0.02 -0.01 -0.04 2.39 2.21 3h75A1 GLN 217 HE21 0.02 -0.02 0.04 -0.04 6.97 6.97 3h75A1 GLN 217 HE22 -0.03 -0.03 0.07 -0.04 7.69 7.66 3h75A1 LEU 218 H -0.17 0.27 0.13 -0.55 8.37 8.06 3h75A1 LEU 218 HA -0.28 0.27 1.03 -0.75 4.35 4.61 3h75A1 LEU 218 HB2 -0.23 0.03 -0.03 -0.04 1.64 1.37 3h75A1 LEU 218 HB3 -0.21 -0.01 0.12 -0.04 1.64 1.50 3h75A1 LEU 218 HG -0.28 0.03 -0.10 -0.04 1.64 1.25 3h75A1 LEU 218 HD13 -0.26 -0.01 -0.08 -0.04 0.93 0.54 3h75A1 LEU 218 HD23 -0.59 -0.03 -0.36 -0.04 0.89 -0.12 3h75A1 VAL 219 H -0.41 0.64 0.37 -0.55 8.24 8.29 3h75A1 VAL 219 HA -0.22 0.23 0.99 -0.75 4.13 4.37 3h75A1 VAL 219 HB -0.06 -0.03 0.04 -0.04 2.12 2.03 3h75A1 VAL 219 HG13 -0.12 0.02 -0.16 -0.04 0.97 0.67 3h75A1 VAL 219 HG23 -0.36 0.01 -0.06 -0.04 0.95 0.49 3h75A1 TYR 220 H 0.04 0.24 0.13 -0.55 8.29 8.15 3h75A1 TYR 220 HA -0.05 0.11 0.91 -0.75 4.56 4.78 3h75A1 TYR 220 HB2 -0.03 0.04 0.23 -0.04 3.06 3.25 3h75A1 TYR 220 HB3 -0.08 -0.03 0.15 -0.04 2.98 2.97 3h75A1 TYR 220 HD2 -0.08 0.10 -0.09 -0.04 7.15 7.04 3h75A1 TYR 220 HE2 -0.03 0.03 -0.10 -0.04 6.85 6.71 3h75A1 GLY 221 H 0.06 0.61 0.24 -0.55 8.43 8.79 3h75A1 GLY 221 HA2 0.13 0.17 0.52 -0.51 4.01 4.32 3h75A1 GLY 221 HA3 0.16 0.03 0.27 -0.51 4.01 3.96 3h75A1 GLU 222 H -0.07 0.33 -0.30 -0.55 8.60 8.02 3h75A1 GLU 222 HA -0.31 -0.07 -0.17 -0.75 4.29 2.98 3h75A1 GLU 222 HB2 0.06 0.09 0.04 -0.04 2.09 2.24 3h75A1 GLU 222 HB3 0.01 -0.02 0.11 -0.04 1.99 2.06 3h75A1 GLU 222 HG2 0.00 -0.03 -0.11 -0.04 2.34 2.16 3h75A1 GLU 222 HG3 0.05 0.08 -0.52 -0.04 2.34 1.91 3h75A1 TRP 223 H -0.12 0.15 -0.31 -0.55 7.97 7.14 3h75A1 TRP 223 HA 0.07 0.00 0.17 -0.75 4.62 4.10 3h75A1 TRP 223 HB2 0.11 0.28 0.19 -0.04 3.23 3.78 3h75A1 TRP 223 HB3 0.09 -0.08 0.17 -0.04 3.23 3.37 3h75A1 TRP 223 HD1 0.14 0.15 -0.08 -0.04 7.22 7.39 3h75A1 TRP 223 HE1 0.15 0.06 0.03 -0.04 10.20 10.40 3h75A1 TRP 223 HE3 0.03 0.04 -0.11 -0.04 7.59 7.51 3h75A1 TRP 223 HZ2 0.12 -0.06 0.00 -0.04 7.44 7.46 3h75A1 TRP 223 HZ3 -0.02 0.18 -0.27 -0.04 7.13 6.98 3h75A1 TRP 223 HH2 0.06 0.11 -0.19 -0.04 7.19 7.13 3h75A1 ASN 224 H 0.16 0.51 -0.60 -0.55 8.53 8.06 3h75A1 ASN 224 HA 0.15 0.04 0.75 -0.75 4.76 4.95 3h75A1 ASN 224 HB2 0.13 0.13 0.03 -0.04 2.88 3.13 3h75A1 ASN 224 HB3 0.11 0.15 0.14 -0.04 2.79 3.14 3h75A1 ASN 224 HD21 0.07 0.04 0.03 -0.04 7.03 7.13 3h75A1 ASN 224 HD22 0.10 0.07 0.03 -0.04 7.74 7.89 3h75A1 ARG 225 H 0.08 0.17 0.22 -0.55 8.46 8.38 3h75A1 ARG 225 HA 0.04 0.14 0.39 -0.75 4.34 4.16 3h75A1 ARG 225 HB2 0.03 -0.07 0.20 -0.04 1.90 2.02 3h75A1 ARG 225 HB3 0.02 -0.05 0.19 -0.04 1.80 1.93 3h75A1 ARG 225 HG2 -0.03 0.03 -0.21 -0.04 1.67 1.41 3h75A1 ARG 225 HG3 -0.02 0.12 0.07 -0.04 1.67 1.80 3h75A1 ARG 225 HD2 -0.02 -0.08 0.04 -0.04 3.22 3.12 3h75A1 ARG 225 HD3 -0.03 -0.04 0.01 -0.04 3.22 3.12 3h75A1 GLU 226 H 0.05 0.10 0.02 -0.55 8.60 8.23 3h75A1 GLU 226 HA 0.11 0.18 0.46 -0.75 4.29 4.29 3h75A1 GLU 226 HB2 0.10 0.09 0.03 -0.04 2.09 2.27 3h75A1 GLU 226 HB3 0.03 0.06 0.10 -0.04 1.99 2.13 3h75A1 GLU 226 HG2 0.06 -0.13 0.08 -0.04 2.34 2.30 3h75A1 GLU 226 HG3 0.07 0.02 -0.07 -0.04 2.34 2.32 3h75A1 ARG 227 H 0.09 0.02 -0.37 -0.55 8.46 7.66 3h75A1 ARG 227 HA 0.09 0.11 0.42 -0.75 4.34 4.21 3h75A1 ARG 227 HB2 0.08 -0.03 0.06 -0.04 1.90 1.97 3h75A1 ARG 227 HB3 0.10 0.14 0.12 -0.04 1.80 2.12 3h75A1 ARG 227 HG2 0.11 -0.02 -0.19 -0.04 1.67 1.54 3h75A1 ARG 227 HG3 0.08 0.01 0.02 -0.04 1.67 1.74 3h75A1 ARG 227 HD2 0.07 -0.03 -0.04 -0.04 3.22 3.18 3h75A1 ARG 227 HD3 0.08 0.13 -0.16 -0.04 3.22 3.24 3h75A1 ALA 228 H 0.09 0.49 -0.11 -0.55 8.40 8.32 3h75A1 ALA 228 HA 0.17 0.01 0.35 -0.75 4.34 4.11 3h75A1 ALA 228 HB3 -0.13 0.01 -0.03 -0.04 1.41 1.21 3h75A1 TYR 229 H 0.15 0.43 -0.36 -0.55 8.29 7.95 3h75A1 TYR 229 HA -0.05 0.14 0.07 -0.75 4.56 3.98 3h75A1 TYR 229 HB2 -0.03 -0.01 0.10 -0.04 3.06 3.07 3h75A1 TYR 229 HB3 -0.00 0.05 0.20 -0.04 2.98 3.18 3h75A1 TYR 229 HD2 -0.01 0.12 0.00 -0.04 7.15 7.23 3h75A1 TYR 229 HE2 0.00 0.01 -0.16 -0.04 6.85 6.67 3h75A1 ARG 230 H 0.09 0.48 -0.18 -0.55 8.46 8.30 3h75A1 ARG 230 HA -0.25 0.06 0.41 -0.75 4.34 3.80 3h75A1 ARG 230 HB2 0.05 0.07 0.17 -0.04 1.90 2.15 3h75A1 ARG 230 HB3 0.00 -0.03 0.01 -0.04 1.80 1.74 3h75A1 ARG 230 HG2 0.15 0.22 0.10 -0.04 1.67 2.09 3h75A1 ARG 230 HG3 0.07 -0.07 0.01 -0.04 1.67 1.64 3h75A1 ARG 230 HD2 -0.00 -0.00 0.01 -0.04 3.22 3.19 3h75A1 ARG 230 HD3 -0.12 0.01 -0.03 -0.04 3.22 3.04 3h75A1 GLN 231 H 0.09 0.53 -0.14 -0.55 8.47 8.41 3h75A1 GLN 231 HA 0.08 0.03 0.43 -0.75 4.36 4.14 3h75A1 GLN 231 HB2 0.40 0.05 0.09 -0.04 2.15 2.66 3h75A1 GLN 231 HB3 0.21 -0.05 -0.01 -0.04 2.02 2.13 3h75A1 GLN 231 HG2 0.09 -0.02 -0.01 -0.04 2.40 2.42 3h75A1 GLN 231 HG3 0.12 0.18 0.05 -0.04 2.39 2.70 3h75A1 GLN 231 HE21 0.09 0.06 -0.25 -0.04 6.97 6.84 3h75A1 GLN 231 HE22 0.07 0.02 -0.05 -0.04 7.69 7.69 3h75A1 ALA 232 H 0.11 0.67 -0.23 -0.55 8.40 8.40 3h75A1 ALA 232 HA 0.33 -0.04 0.37 -0.75 4.34 4.24 3h75A1 ALA 232 HB3 0.02 0.04 0.03 -0.04 1.41 1.46 3h75A1 GLN 233 H -0.12 0.45 -0.24 -0.55 8.47 8.01 3h75A1 GLN 233 HA -0.06 0.07 0.33 -0.75 4.36 3.95 3h75A1 GLN 233 HB2 -0.16 0.13 0.14 -0.04 2.15 2.21 3h75A1 GLN 233 HB3 -0.11 -0.03 -0.02 -0.04 2.02 1.82 3h75A1 GLN 233 HG2 -0.29 0.00 0.04 -0.04 2.40 2.12 3h75A1 GLN 233 HG3 -0.70 0.26 0.07 -0.04 2.39 1.98 3h75A1 GLN 233 HE21 -0.04 -0.05 -0.03 -0.04 6.97 6.81 3h75A1 GLN 233 HE22 -0.10 0.05 -0.02 -0.04 7.69 7.58 3h75A1 GLN 234 H -0.00 0.28 -0.35 -0.55 8.47 7.86 3h75A1 GLN 234 HA -0.02 0.09 0.53 -0.75 4.36 4.21 3h75A1 GLN 234 HB2 0.02 0.08 0.16 -0.04 2.15 2.37 3h75A1 GLN 234 HB3 -0.01 -0.04 0.02 -0.04 2.02 1.95 3h75A1 GLN 234 HG2 -0.02 -0.02 -0.00 -0.04 2.40 2.32 3h75A1 GLN 234 HG3 -0.02 0.14 0.06 -0.04 2.39 2.53 3h75A1 GLN 234 HE21 0.01 -0.08 -0.05 -0.04 6.97 6.81 3h75A1 GLN 234 HE22 -0.00 0.16 -0.09 -0.04 7.69 7.72 3h75A1 LEU 235 H 0.08 0.61 0.09 -0.55 8.37 8.61 3h75A1 LEU 235 HA 0.08 0.00 0.38 -0.75 4.35 4.06 3h75A1 LEU 235 HB2 0.20 0.02 0.08 -0.04 1.64 1.89 3h75A1 LEU 235 HB3 0.19 -0.01 -0.04 -0.04 1.64 1.73 3h75A1 LEU 235 HG 0.08 0.11 0.07 -0.04 1.64 1.87 3h75A1 LEU 235 HD13 -0.08 -0.04 -0.15 -0.04 0.93 0.63 3h75A1 LEU 235 HD23 0.13 -0.01 -0.04 -0.04 0.89 0.93 3h75A1 LEU 236 H 0.11 0.68 -0.14 -0.55 8.37 8.48 3h75A1 LEU 236 HA 0.12 0.09 0.34 -0.75 4.35 4.15 3h75A1 LEU 236 HB2 0.08 0.15 -0.04 -0.04 1.64 1.80 3h75A1 LEU 236 HB3 0.08 0.03 -0.06 -0.04 1.64 1.65 3h75A1 LEU 236 HG 0.18 -0.11 -0.02 -0.04 1.64 1.64 3h75A1 LEU 236 HD13 0.17 -0.02 -0.14 -0.04 0.93 0.91 3h75A1 LEU 236 HD23 0.10 0.01 -0.08 -0.04 0.89 0.88 3h75A1 LYS 237 H 0.02 0.23 -0.54 -0.55 8.42 7.57 3h75A1 LYS 237 HA 0.00 0.11 0.55 -0.75 4.32 4.22 3h75A1 LYS 237 HB2 -0.01 0.13 0.13 -0.04 1.87 2.08 3h75A1 LYS 237 HB3 -0.03 0.05 0.14 -0.04 1.79 1.91 3h75A1 LYS 237 HG2 -0.03 -0.04 -0.07 -0.04 1.46 1.28 3h75A1 LYS 237 HG3 -0.01 0.00 0.06 -0.04 1.46 1.47 3h75A1 LYS 237 HD2 -0.01 0.04 0.02 -0.04 1.69 1.69 3h75A1 LYS 237 HD3 -0.03 -0.05 -0.00 -0.04 1.68 1.56 3h75A1 LYS 237 HE2 -0.01 0.02 0.01 -0.04 2.99 2.98 3h75A1 LYS 237 HE3 -0.01 -0.06 -0.00 -0.04 2.99 2.87 3h75A1 ARG 238 H -0.09 0.41 -0.03 -0.55 8.46 8.20 3h75A1 ARG 238 HA -0.20 0.01 0.47 -0.75 4.34 3.87 3h75A1 ARG 238 HB2 -0.24 -0.05 0.08 -0.04 1.90 1.66 3h75A1 ARG 238 HB3 -0.38 0.04 0.14 -0.04 1.80 1.56 3h75A1 ARG 238 HG2 -0.69 -0.07 -0.04 -0.04 1.67 0.82 3h75A1 ARG 238 HG3 -1.62 0.03 -0.26 -0.04 1.67 -0.22 3h75A1 ARG 238 HD2 -0.29 0.05 0.13 -0.04 3.22 3.07 3h75A1 ARG 238 HD3 -0.22 -0.04 0.03 -0.04 3.22 2.94 3h75A1 TYR 239 H -0.01 0.54 -0.26 -0.55 8.29 8.01 3h75A1 TYR 239 HA 0.00 0.14 0.87 -0.75 4.56 4.82 3h75A1 TYR 239 HB2 0.00 0.07 0.15 -0.04 3.06 3.24 3h75A1 TYR 239 HB3 -0.00 -0.11 0.09 -0.04 2.98 2.92 3h75A1 TYR 239 HD2 -0.01 0.04 0.00 -0.04 7.15 7.14 3h75A1 TYR 239 HE2 -0.03 -0.04 -0.05 -0.04 6.85 6.69 3h75A1 PRO 240 HA 0.05 0.23 0.49 -0.51 4.44 4.71 3h75A1 PRO 240 HB2 0.03 -0.01 0.03 -0.04 2.28 2.28 3h75A1 PRO 240 HB3 0.02 0.10 0.11 -0.04 2.02 2.21 3h75A1 PRO 240 HG2 0.03 -0.06 0.01 -0.04 2.03 1.97 3h75A1 PRO 240 HG3 0.01 0.02 0.03 -0.04 2.03 2.05 3h75A1 PRO 240 HD2 0.02 0.12 0.01 -0.04 3.68 3.79 3h75A1 PRO 240 HD3 -0.02 0.40 -0.37 -0.04 3.65 3.62 3h75A1 LYS 241 H 0.08 0.03 -0.35 -0.55 8.42 7.63 3h75A1 LYS 241 HA 0.03 0.16 0.52 -0.75 4.32 4.28 3h75A1 LYS 241 HB2 0.06 -0.06 -0.02 -0.04 1.87 1.81 3h75A1 LYS 241 HB3 0.04 0.01 0.10 -0.04 1.79 1.90 3h75A1 LYS 241 HG2 0.04 0.05 -0.02 -0.04 1.46 1.48 3h75A1 LYS 241 HG3 0.05 -0.02 0.01 -0.04 1.46 1.46 3h75A1 LYS 241 HD2 0.03 -0.01 0.01 -0.04 1.69 1.68 3h75A1 LYS 241 HD3 0.05 -0.03 0.01 -0.04 1.68 1.67 3h75A1 LYS 241 HE2 0.03 0.02 0.03 -0.04 2.99 3.03 3h75A1 LYS 241 HE3 0.03 0.03 0.02 -0.04 2.99 3.02 3h75A1 THR 242 H 0.07 0.35 -0.43 -0.55 8.28 7.72 3h75A1 THR 242 HA -0.01 -0.09 0.28 -0.75 4.39 3.82 3h75A1 THR 242 HB 0.04 0.08 0.04 -0.04 4.32 4.44 3h75A1 THR 242 HG23 -0.03 -0.05 -0.19 -0.04 1.22 0.90 3h75A1 GLN 243 H -0.04 0.44 0.42 -0.55 8.47 8.74 3h75A1 GLN 243 HA -0.04 0.31 1.05 -0.75 4.36 4.93 3h75A1 GLN 243 HB2 -0.04 -0.08 0.09 -0.04 2.15 2.08 3h75A1 GLN 243 HB3 -0.04 -0.01 0.12 -0.04 2.02 2.05 3h75A1 GLN 243 HG2 -0.01 0.10 0.02 -0.04 2.40 2.47 3h75A1 GLN 243 HG3 -0.01 0.18 0.01 -0.04 2.39 2.52 3h75A1 GLN 243 HE21 -0.02 0.01 0.02 -0.04 6.97 6.94 3h75A1 GLN 243 HE22 -0.02 -0.10 0.13 -0.04 7.69 7.66 3h75A1 LEU 244 H -0.07 0.29 0.35 -0.55 8.37 8.39 3h75A1 LEU 244 HA -0.13 0.29 1.09 -0.75 4.35 4.84 3h75A1 LEU 244 HB2 -0.05 -0.07 0.05 -0.04 1.64 1.53 3h75A1 LEU 244 HB3 -0.03 -0.04 -0.03 -0.04 1.64 1.50 3h75A1 LEU 244 HG -0.06 -0.01 -0.30 -0.04 1.64 1.23 3h75A1 LEU 244 HD13 -0.06 -0.01 -0.17 -0.04 0.93 0.66 3h75A1 LEU 244 HD23 -0.05 0.05 -0.11 -0.04 0.89 0.74 3h75A1 VAL 245 H -0.22 0.79 0.32 -0.55 8.24 8.58 3h75A1 VAL 245 HA 0.04 0.23 1.06 -0.75 4.13 4.70 3h75A1 VAL 245 HB -0.78 -0.03 0.10 -0.04 2.12 1.37 3h75A1 VAL 245 HG13 0.34 -0.03 -0.16 -0.04 0.97 1.08 3h75A1 VAL 245 HG23 -0.28 0.00 -0.26 -0.04 0.95 0.38 3h75A1 TRP 246 H 0.29 0.58 0.34 -0.55 7.97 8.63 3h75A1 TRP 246 HA 0.03 0.06 0.78 -0.75 4.62 4.74 3h75A1 TRP 246 HB2 -0.03 0.06 0.07 -0.04 3.23 3.29 3h75A1 TRP 246 HB3 -0.01 -0.05 0.21 -0.04 3.23 3.34 3h75A1 TRP 246 HD1 -0.03 0.10 0.04 -0.04 7.22 7.29 3h75A1 TRP 246 HE1 -0.02 0.50 0.14 -0.04 10.20 10.79 3h75A1 TRP 246 HE3 0.02 -0.16 -0.29 -0.04 7.59 7.11 3h75A1 TRP 246 HZ2 0.01 0.07 -0.09 -0.04 7.44 7.39 3h75A1 TRP 246 HZ3 -0.01 -0.13 -0.27 -0.04 7.13 6.69 3h75A1 TRP 246 HH2 0.03 -0.13 -0.27 -0.04 7.19 6.78 3h75A1 SER 247 H -0.30 0.33 0.18 -0.55 8.46 8.11 3h75A1 SER 247 HA 0.13 0.16 1.10 -0.75 4.49 5.12 3h75A1 SER 247 HB2 -0.04 0.32 0.34 -0.04 3.95 4.53 3h75A1 SER 247 HB3 0.01 -0.10 0.20 -0.04 3.93 3.99 3h75A1 ALA 248 H -0.07 0.66 0.33 -0.55 8.40 8.77 3h75A1 ALA 248 HA -0.61 0.15 0.45 -0.75 4.34 3.58 3h75A1 ALA 248 HB3 0.20 -0.04 0.12 -0.04 1.41 1.65 3h75A1 ASN 249 H 0.03 0.31 -0.22 -0.55 8.53 8.10 3h75A1 ASN 249 HA -0.07 0.14 0.56 -0.75 4.76 4.63 3h75A1 ASN 249 HB2 -0.10 -0.01 0.25 -0.04 2.88 2.98 3h75A1 ASN 249 HB3 0.25 0.02 -0.19 -0.04 2.79 2.83 3h75A1 ASN 249 HD21 0.24 0.28 0.09 -0.04 7.03 7.60 3h75A1 ASN 249 HD22 -0.01 -0.02 0.08 -0.04 7.74 7.75 3h75A1 ASP 250 H -0.03 0.44 0.32 -0.55 8.40 8.58 3h75A1 ASP 250 HA -0.03 0.26 0.56 -0.75 4.63 4.66 3h75A1 ASP 250 HB2 -0.03 0.04 -0.07 -0.04 2.71 2.61 3h75A1 ASP 250 HB3 -0.03 0.08 -0.17 -0.04 2.70 2.54 3h75A1 GLU 251 H 0.03 0.01 -0.06 -0.55 8.60 8.03 3h75A1 GLU 251 HA 0.00 0.07 0.23 -0.75 4.29 3.85 3h75A1 GLU 251 HB2 0.11 0.13 0.02 -0.04 2.09 2.31 3h75A1 GLU 251 HB3 0.07 -0.08 0.14 -0.04 1.99 2.08 3h75A1 GLU 251 HG2 0.04 -0.11 0.14 -0.04 2.34 2.36 3h75A1 GLU 251 HG3 0.09 0.08 0.15 -0.04 2.34 2.61 3h75A1 ALA 253 HA -0.00 -0.03 0.28 -0.75 4.34 3.84 3h75A1 ALA 253 HB3 -0.01 0.03 0.03 -0.04 1.41 1.43 3h75A1 LEU 254 H -0.07 0.56 -0.68 -0.55 8.37 7.64 3h75A1 LEU 254 HA -0.16 0.08 0.35 -0.75 4.35 3.87 3h75A1 LEU 254 HB2 -0.06 0.02 0.10 -0.04 1.64 1.66 3h75A1 LEU 254 HB3 -0.08 -0.03 -0.01 -0.04 1.64 1.48 3h75A1 LEU 254 HG -0.06 0.17 -0.07 -0.04 1.64 1.63 3h75A1 LEU 254 HD13 -0.04 -0.09 -0.16 -0.04 0.93 0.60 3h75A1 LEU 254 HD23 -0.09 0.01 -0.16 -0.04 0.89 0.62 3h75A1 GLY 255 H -0.07 0.32 0.20 -0.55 8.43 8.35 3h75A1 GLY 255 HA2 -0.03 0.04 0.47 -0.51 4.01 3.98 3h75A1 GLY 255 HA3 0.01 0.01 0.28 -0.51 4.01 3.80 3h75A1 ALA 256 H -0.16 0.07 -0.34 -0.55 8.40 7.43 3h75A1 ALA 256 HA -0.04 0.02 0.17 -0.75 4.34 3.74 3h75A1 ALA 256 HB3 -0.17 0.03 0.01 -0.04 1.41 1.23 3h75A1 GLN 258 HA -0.02 -0.06 0.32 -0.75 4.36 3.85 3h75A1 GLN 258 HB2 -0.09 0.04 0.15 -0.04 2.15 2.22 3h75A1 GLN 258 HB3 0.05 0.05 0.07 -0.04 2.02 2.14 3h75A1 GLN 258 HG2 0.04 -0.00 -0.14 -0.04 2.40 2.26 3h75A1 GLN 258 HG3 -0.05 -0.01 0.04 -0.04 2.39 2.33 3h75A1 GLN 258 HE21 -0.31 -0.05 -0.03 -0.04 6.97 6.54 3h75A1 GLN 258 HE22 -0.15 0.03 -0.05 -0.04 7.69 7.47 3h75A1 ALA 259 H 0.20 0.48 -0.73 -0.55 8.40 7.80 3h75A1 ALA 259 HA 0.14 -0.02 0.37 -0.75 4.34 4.07 3h75A1 ALA 259 HB3 -0.02 0.04 -0.04 -0.04 1.41 1.35 3h75A1 ALA 260 H 0.10 0.55 0.26 -0.55 8.40 8.76 3h75A1 ALA 260 HA 0.12 0.06 0.35 -0.75 4.34 4.11 3h75A1 ALA 260 HB3 0.23 0.00 -0.09 -0.04 1.41 1.51 3h75A1 ARG 261 H 0.04 0.15 -0.23 -0.55 8.46 7.86 3h75A1 ARG 261 HA 0.04 0.30 0.41 -0.75 4.34 4.33 3h75A1 ARG 261 HB2 0.02 0.09 0.12 -0.04 1.90 2.09 3h75A1 ARG 261 HB3 0.01 -0.04 0.01 -0.04 1.80 1.75 3h75A1 ARG 261 HG2 0.00 0.09 0.04 -0.04 1.67 1.76 3h75A1 ARG 261 HG3 -0.03 -0.01 0.02 -0.04 1.67 1.60 3h75A1 ARG 261 HD2 -0.01 -0.02 0.01 -0.04 3.22 3.16 3h75A1 ARG 261 HD3 -0.04 -0.01 0.01 -0.04 3.22 3.14 3h75A1 GLU 262 H 0.06 0.47 -0.25 -0.55 8.60 8.33 3h75A1 GLU 262 HA 0.04 -0.00 0.42 -0.75 4.29 3.99 3h75A1 GLU 262 HB2 0.08 0.17 0.14 -0.04 2.09 2.44 3h75A1 GLU 262 HB3 0.05 -0.06 0.04 -0.04 1.99 1.98 3h75A1 GLU 262 HG2 0.06 -0.07 0.03 -0.04 2.34 2.33 3h75A1 GLU 262 HG3 0.08 0.03 0.03 -0.04 2.34 2.43 3h75A1 LEU 263 H 0.05 0.35 -0.46 -0.55 8.37 7.77 3h75A1 LEU 263 HA 0.03 0.10 0.75 -0.75 4.35 4.47 3h75A1 LEU 263 HB2 0.05 0.06 0.08 -0.04 1.64 1.79 3h75A1 LEU 263 HB3 0.03 -0.02 0.11 -0.04 1.64 1.72 3h75A1 LEU 263 HG 0.03 0.17 -0.02 -0.04 1.64 1.78 3h75A1 LEU 263 HD13 0.04 0.01 -0.17 -0.04 0.93 0.77 3h75A1 LEU 263 HD23 0.01 -0.00 -0.04 -0.04 0.89 0.82 3h75A1 GLY 264 H 0.04 0.41 -0.29 -0.55 8.43 8.04 3h75A1 GLY 264 HA2 0.03 -0.01 0.31 -0.51 4.01 3.83 3h75A1 GLY 264 HA3 0.03 0.09 0.72 -0.51 4.01 4.33 3h75A1 ARG 265 H 0.05 0.29 -0.10 -0.55 8.46 8.15 3h75A1 ARG 265 HA 0.05 0.08 0.44 -0.75 4.34 4.16 3h75A1 ARG 265 HB2 0.11 -0.05 -0.12 -0.04 1.90 1.80 3h75A1 ARG 265 HB3 0.10 -0.07 -0.08 -0.04 1.80 1.70 3h75A1 ARG 265 HG2 0.06 0.01 -0.08 -0.04 1.67 1.62 3h75A1 ARG 265 HG3 0.08 -0.01 -0.05 -0.04 1.67 1.65 3h75A1 ARG 265 HD2 0.04 -0.02 -0.15 -0.04 3.22 3.05 3h75A1 ARG 265 HD3 0.04 0.07 -0.04 -0.04 3.22 3.25 3h75A1 LYS 266 H 0.07 0.10 0.02 -0.55 8.42 8.06 3h75A1 LYS 266 HA 0.05 0.27 0.91 -0.75 4.32 4.79 3h75A1 LYS 266 HB2 0.04 -0.18 0.21 -0.04 1.87 1.90 3h75A1 LYS 266 HB3 0.03 0.07 0.03 -0.04 1.79 1.89 3h75A1 LYS 266 HG2 0.03 0.10 -0.33 -0.04 1.46 1.22 3h75A1 LYS 266 HG3 0.02 -0.03 -0.03 -0.04 1.46 1.39 3h75A1 LYS 266 HD2 0.02 0.05 -0.02 -0.04 1.69 1.70 3h75A1 LYS 266 HD3 0.02 0.04 -0.11 -0.04 1.68 1.60 3h75A1 LYS 266 HE2 0.01 -0.04 -0.02 -0.04 2.99 2.90 3h75A1 LYS 266 HE3 0.02 -0.03 -0.02 -0.04 2.99 2.91 3h75A1 PRO 267 HA 0.33 0.24 0.53 -0.51 4.44 5.03 3h75A1 PRO 267 HB2 -0.04 -0.04 0.09 -0.04 2.28 2.25 3h75A1 PRO 267 HB3 -0.14 0.05 0.05 -0.04 2.02 1.94 3h75A1 PRO 267 HG2 -0.12 -0.00 -0.06 -0.04 2.03 1.80 3h75A1 PRO 267 HG3 0.09 0.00 -0.12 -0.04 2.03 1.96 3h75A1 PRO 267 HD2 0.02 0.09 0.11 -0.04 3.68 3.86 3h75A1 PRO 267 HD3 0.07 0.23 -0.32 -0.04 3.65 3.60 3h75A1 GLY 268 H 0.18 0.51 0.37 -0.55 8.43 8.95 3h75A1 GLY 268 HA2 0.08 -0.09 0.36 -0.51 4.01 3.84 3h75A1 GLY 268 HA3 0.05 0.31 0.78 -0.51 4.01 4.64 3h75A1 THR 269 H 0.06 0.43 -0.21 -0.55 8.28 8.01 3h75A1 THR 269 HA 0.02 0.24 0.99 -0.75 4.39 4.89 3h75A1 THR 269 HB 0.03 -0.06 0.15 -0.04 4.32 4.40 3h75A1 THR 269 HG23 0.01 -0.01 -0.09 -0.04 1.22 1.09 3h75A1 ASP 270 H 0.04 0.25 0.24 -0.55 8.40 8.39 3h75A1 ASP 270 HA 0.01 0.28 0.94 -0.75 4.63 5.11 3h75A1 ASP 270 HB2 0.02 0.06 0.17 -0.04 2.71 2.92 3h75A1 ASP 270 HB3 0.02 -0.01 0.06 -0.04 2.70 2.73 3h75A1 LEU 271 H 0.06 0.15 -0.07 -0.55 8.37 7.97 3h75A1 LEU 271 HA -0.05 0.34 0.72 -0.75 4.35 4.60 3h75A1 LEU 271 HB2 0.05 0.09 -0.25 -0.04 1.64 1.48 3h75A1 LEU 271 HB3 0.18 -0.16 -0.15 -0.04 1.64 1.47 3h75A1 LEU 271 HG -0.51 -0.08 -0.37 -0.04 1.64 0.64 3h75A1 LEU 271 HD13 -0.13 0.09 -0.36 -0.04 0.93 0.50 3h75A1 LEU 271 HD23 0.17 -0.01 -0.17 -0.04 0.89 0.84 3h75A1 LEU 272 H -0.11 0.76 0.23 -0.55 8.37 8.70 3h75A1 LEU 272 HA 0.10 0.06 1.00 -0.75 4.35 4.76 3h75A1 LEU 272 HB2 -0.04 -0.02 0.11 -0.04 1.64 1.65 3h75A1 LEU 272 HB3 0.02 -0.04 0.00 -0.04 1.64 1.58 3h75A1 LEU 272 HG -0.02 0.10 -0.15 -0.04 1.64 1.53 3h75A1 LEU 272 HD13 -0.01 0.04 -0.16 -0.04 0.93 0.76 3h75A1 LEU 272 HD23 0.03 0.02 -0.44 -0.04 0.89 0.46 3h75A1 PHE 273 H 0.28 0.17 0.27 -0.55 8.34 8.51 3h75A1 PHE 273 HA 0.04 0.36 1.11 -0.75 4.62 5.37 3h75A1 PHE 273 HB2 -0.00 -0.04 0.12 -0.04 3.15 3.19 3h75A1 PHE 273 HB3 -0.01 0.02 0.01 -0.04 3.06 3.04 3h75A1 PHE 273 HD2 0.00 0.01 -0.01 -0.04 7.28 7.24 3h75A1 PHE 273 HE2 0.01 -0.04 -0.12 -0.04 7.38 7.19 3h75A1 PHE 273 HZ 0.03 0.03 -0.15 -0.04 7.32 7.19 3h75A1 SER 274 H 0.10 0.51 0.45 -0.55 8.46 8.97 3h75A1 SER 274 HA 0.01 0.22 1.04 -0.75 4.49 5.00 3h75A1 SER 274 HB2 -0.10 -0.01 0.06 -0.04 3.95 3.86 3h75A1 SER 274 HB3 0.01 0.02 -0.05 -0.04 3.93 3.87 3h75A1 GLY 275 H -0.09 0.49 0.28 -0.55 8.43 8.57 3h75A1 GLY 275 HA2 -0.17 0.27 0.50 -0.51 4.01 4.09 3h75A1 GLY 275 HA3 -0.07 -0.02 0.18 -0.51 4.01 3.58 3h75A1 VAL 276 H -0.11 -0.01 -0.14 -0.55 8.24 7.43 3h75A1 VAL 276 HA -0.10 0.34 1.01 -0.75 4.13 4.63 3h75A1 VAL 276 HB -0.18 0.05 0.08 -0.04 2.12 2.03 3h75A1 VAL 276 HG13 -0.24 -0.03 0.00 -0.04 0.97 0.66 3h75A1 VAL 276 HG23 -0.37 0.03 -0.19 -0.04 0.95 0.39 3h75A1 ASN 277 H 0.13 0.75 0.39 -0.55 8.53 9.25 3h75A1 ASN 277 HA 0.27 -0.06 0.37 -0.75 4.76 4.58 3h75A1 ASN 277 HB2 -0.00 0.03 0.44 -0.04 2.88 3.32 3h75A1 ASN 277 HB3 0.07 -0.23 0.31 -0.04 2.79 2.90 3h75A1 ASN 277 HD21 -0.35 0.02 0.11 -0.04 7.03 6.77 3h75A1 ASN 277 HD22 -0.07 -0.11 0.20 -0.04 7.74 7.72 3h75A1 SER 278 H 0.01 0.05 0.06 -0.55 8.46 8.04 3h75A1 SER 278 HA -0.01 0.24 0.54 -0.75 4.49 4.51 3h75A1 SER 278 HB2 -0.09 0.13 0.08 -0.04 3.95 4.02 3h75A1 SER 278 HB3 0.01 0.03 -0.21 -0.04 3.93 3.73 3h75A1 SER 279 H -0.03 0.02 0.01 -0.55 8.46 7.92 3h75A1 SER 279 HA -0.07 0.17 0.43 -0.75 4.49 4.27 3h75A1 SER 279 HB2 -0.03 0.10 0.12 -0.04 3.95 4.10 3h75A1 SER 279 HB3 -0.02 -0.07 0.13 -0.04 3.93 3.92 3h75A1 PRO 280 HA -0.04 0.17 0.42 -0.51 4.44 4.48 3h75A1 PRO 280 HB2 -0.03 -0.02 0.10 -0.04 2.28 2.29 3h75A1 PRO 280 HB3 -0.03 0.16 0.10 -0.04 2.02 2.21 3h75A1 PRO 280 HG2 -0.04 0.07 0.12 -0.04 2.03 2.14 3h75A1 PRO 280 HG3 -0.05 0.15 0.15 -0.04 2.03 2.23 3h75A1 PRO 280 HD2 -0.04 0.03 0.23 -0.04 3.68 3.87 3h75A1 PRO 280 HD3 -0.07 0.11 0.26 -0.04 3.65 3.91 3h75A1 GLU 281 H -0.03 0.07 -0.17 -0.55 8.60 7.92 3h75A1 GLU 281 HA -0.03 0.16 0.37 -0.75 4.29 4.04 3h75A1 GLU 281 HB2 -0.03 -0.00 0.06 -0.04 2.09 2.08 3h75A1 GLU 281 HB3 -0.04 -0.06 -0.05 -0.04 1.99 1.80 3h75A1 GLU 281 HG2 -0.05 0.04 -0.08 -0.04 2.34 2.21 3h75A1 GLU 281 HG3 -0.04 0.05 0.02 -0.04 2.34 2.33 3h75A1 ALA 282 H -0.03 -0.01 -0.37 -0.55 8.40 7.44 3h75A1 ALA 282 HA -0.04 0.14 0.34 -0.75 4.34 4.03 3h75A1 ALA 282 HB3 -0.03 -0.00 -0.11 -0.04 1.41 1.24 3h75A1 LEU 283 H -0.03 0.53 -0.27 -0.55 8.37 8.06 3h75A1 LEU 283 HA -0.01 0.03 0.32 -0.75 4.35 3.93 3h75A1 LEU 283 HB2 -0.03 0.12 0.06 -0.04 1.64 1.75 3h75A1 LEU 283 HB3 -0.01 0.07 -0.05 -0.04 1.64 1.60 3h75A1 LEU 283 HG -0.03 -0.03 -0.26 -0.04 1.64 1.28 3h75A1 LEU 283 HD13 -0.05 0.00 -0.21 -0.04 0.93 0.63 3h75A1 LEU 283 HD23 -0.00 -0.02 -0.03 -0.04 0.89 0.79 3h75A1 GLN 284 H -0.02 0.46 -0.22 -0.55 8.47 8.15 3h75A1 GLN 284 HA -0.01 0.05 0.37 -0.75 4.36 4.02 3h75A1 GLN 284 HB2 -0.02 0.03 0.08 -0.04 2.15 2.20 3h75A1 GLN 284 HB3 -0.03 0.07 0.09 -0.04 2.02 2.11 3h75A1 GLN 284 HG2 -0.02 -0.01 -0.04 -0.04 2.40 2.28 3h75A1 GLN 284 HG3 -0.02 0.01 -0.17 -0.04 2.39 2.17 3h75A1 GLN 284 HE21 -0.01 0.02 -0.02 -0.04 6.97 6.92 3h75A1 GLN 284 HE22 -0.01 -0.02 0.00 -0.04 7.69 7.62 3h75A1 ALA 285 H -0.03 0.42 -0.29 -0.55 8.40 7.96 3h75A1 ALA 285 HA -0.03 0.05 0.36 -0.75 4.34 3.97 3h75A1 ALA 285 HB3 -0.05 0.02 0.00 -0.04 1.41 1.35 3h75A1 LEU 286 H -0.01 0.43 -0.32 -0.55 8.37 7.92 3h75A1 LEU 286 HA 0.00 0.33 0.41 -0.75 4.35 4.34 3h75A1 LEU 286 HB2 0.00 -0.06 -0.05 -0.04 1.64 1.49 3h75A1 LEU 286 HB3 0.00 0.05 0.05 -0.04 1.64 1.71 3h75A1 LEU 286 HG 0.01 0.01 -0.29 -0.04 1.64 1.33 3h75A1 LEU 286 HD13 0.01 0.08 -0.26 -0.04 0.93 0.72 3h75A1 LEU 286 HD23 0.02 0.02 -0.22 -0.04 0.89 0.67 3h75A1 ILE 287 H -0.00 0.47 -0.15 -0.55 8.25 8.01 3h75A1 ILE 287 HA 0.00 -0.03 0.41 -0.75 4.18 3.81 3h75A1 ILE 287 HB -0.00 0.10 0.15 -0.04 1.89 2.10 3h75A1 ILE 287 HG12 0.00 -0.01 0.06 -0.04 1.49 1.50 3h75A1 ILE 287 HG13 0.00 0.16 0.06 -0.04 1.21 1.38 3h75A1 ILE 287 HG23 0.00 -0.02 -0.09 -0.04 0.93 0.78 3h75A1 ILE 287 HD13 -0.00 -0.05 -0.22 -0.04 0.88 0.57 3h75A1 ASP 288 H -0.01 0.45 -0.23 -0.55 8.40 8.07 3h75A1 ASP 288 HA -0.00 0.05 0.48 -0.75 4.63 4.40 3h75A1 ASP 288 HB2 -0.01 -0.04 0.09 -0.04 2.71 2.71 3h75A1 ASP 288 HB3 -0.01 -0.01 0.09 -0.04 2.70 2.73 3h75A1 GLY 289 H 0.00 0.31 -0.61 -0.55 8.43 7.59 3h75A1 GLY 289 HA2 0.01 0.10 0.28 -0.51 4.01 3.90 3h75A1 GLY 289 HA3 0.01 0.07 0.48 -0.51 4.01 4.06 3h75A1 LYS 290 H -0.00 0.14 -0.27 -0.55 8.42 7.73 3h75A1 LYS 290 HA 0.02 0.32 0.32 -0.75 4.32 4.23 3h75A1 LYS 290 HB2 -0.04 -0.13 -0.00 -0.04 1.87 1.67 3h75A1 LYS 290 HB3 -0.05 -0.05 -0.07 -0.04 1.79 1.58 3h75A1 LYS 290 HG2 -0.01 0.02 -0.13 -0.04 1.46 1.29 3h75A1 LYS 290 HG3 -0.03 -0.10 -0.04 -0.04 1.46 1.25 3h75A1 LYS 290 HD2 -0.01 -0.02 -0.01 -0.04 1.69 1.61 3h75A1 LYS 290 HD3 0.01 0.18 -0.13 -0.04 1.68 1.70 3h75A1 LYS 290 HE2 0.00 -0.01 -0.04 -0.04 2.99 2.90 3h75A1 LYS 290 HE3 -0.00 0.09 -0.05 -0.04 2.99 2.98 3h75A1 LEU 291 H -0.00 0.40 -0.27 -0.55 8.37 7.95 3h75A1 LEU 291 HA 0.04 0.06 0.60 -0.75 4.35 4.31 3h75A1 LEU 291 HB2 -0.04 -0.05 -0.20 -0.04 1.64 1.31 3h75A1 LEU 291 HB3 -0.01 -0.04 -0.38 -0.04 1.64 1.17 3h75A1 LEU 291 HG 0.01 0.02 -0.45 -0.04 1.64 1.19 3h75A1 LEU 291 HD13 0.03 0.01 -0.27 -0.04 0.93 0.66 3h75A1 LEU 291 HD23 -0.02 -0.02 -0.18 -0.04 0.89 0.62 3h75A1 SER 292 H 0.10 0.28 0.19 -0.55 8.46 8.49 3h75A1 SER 292 HA 0.04 0.23 0.59 -0.75 4.49 4.59 3h75A1 SER 292 HB2 0.06 0.02 0.08 -0.04 3.95 4.07 3h75A1 SER 292 HB3 0.04 -0.00 -0.03 -0.04 3.93 3.90 3h75A1 VAL 293 H 0.04 0.35 0.18 -0.55 8.24 8.26 3h75A1 VAL 293 HA 0.01 0.23 0.81 -0.75 4.13 4.43 3h75A1 VAL 293 HB -0.01 -0.11 0.07 -0.04 2.12 2.03 3h75A1 VAL 293 HG13 -0.02 -0.01 -0.13 -0.04 0.97 0.77 3h75A1 VAL 293 HG23 0.02 0.02 -0.35 -0.04 0.95 0.59 3h75A1 LEU 294 H 0.01 0.28 0.03 -0.55 8.37 8.14 3h75A1 LEU 294 HA -0.03 0.22 0.83 -0.75 4.35 4.61 3h75A1 LEU 294 HB2 -0.00 0.07 -0.28 -0.04 1.64 1.38 3h75A1 LEU 294 HB3 0.01 0.01 0.03 -0.04 1.64 1.65 3h75A1 LEU 294 HG 0.03 0.03 -0.29 -0.04 1.64 1.37 3h75A1 LEU 294 HD13 -0.01 -0.00 -0.38 -0.04 0.93 0.48 3h75A1 LEU 294 HD23 0.00 -0.01 -0.29 -0.04 0.89 0.55 3h75A1 GLU 295 H -0.07 0.67 0.32 -0.55 8.60 8.97 3h75A1 GLU 295 HA 0.05 0.24 0.74 -0.75 4.29 4.57 3h75A1 GLU 295 HB2 -0.28 -0.01 0.22 -0.04 2.09 1.99 3h75A1 GLU 295 HB3 -0.29 -0.13 0.01 -0.04 1.99 1.53 3h75A1 GLU 295 HG2 -0.10 0.03 -0.05 -0.04 2.34 2.18 3h75A1 GLU 295 HG3 -0.23 0.13 0.01 -0.04 2.34 2.21 3h75A1 ALA 296 H 0.22 0.67 0.48 -0.55 8.40 9.22 3h75A1 ALA 296 HA 0.38 -0.07 0.88 -0.75 4.34 4.77 3h75A1 ALA 296 HB3 0.17 0.09 -0.08 -0.04 1.41 1.55 3h75A1 GLY 297 H 0.35 0.01 0.10 -0.55 8.43 8.34 3h75A1 GLY 297 HA2 -0.04 0.10 0.32 -0.51 4.01 3.88 3h75A1 GLY 297 HA3 -0.02 0.52 0.84 -0.51 4.01 4.83 3h75A1 HIS 298 H 0.02 0.13 -0.05 -0.55 8.41 7.97 3h75A1 HIS 298 HA -0.31 0.19 0.40 -0.75 4.63 4.15 3h75A1 HIS 298 HB2 -0.20 0.06 0.12 -0.04 3.26 3.20 3h75A1 HIS 298 HB3 -1.09 -0.01 0.03 -0.04 3.20 2.09 3h75A1 HIS 298 HD2 -0.06 0.04 -0.03 -0.04 6.97 6.87 3h75A1 HIS 298 HE1 -0.10 -0.03 -0.01 -0.04 7.75 7.56 3h75A1 PHE 299 H 0.04 0.01 -0.37 -0.55 8.34 7.47 3h75A1 PHE 299 HA -0.38 0.08 0.40 -0.75 4.62 3.97 3h75A1 PHE 299 HB2 -0.53 0.08 -0.02 -0.04 3.15 2.64 3h75A1 PHE 299 HB3 -0.21 -0.14 0.04 -0.04 3.06 2.71 3h75A1 PHE 299 HD2 -0.26 -0.09 -0.19 -0.04 7.28 6.69 3h75A1 PHE 299 HE2 -0.23 0.04 -0.11 -0.04 7.38 7.05 3h75A1 PHE 299 HZ -0.19 0.10 -0.09 -0.04 7.32 7.10 3h75A1 THR 300 H -0.95 0.29 -0.51 -0.55 8.28 6.56 3h75A1 THR 300 HA -1.80 0.19 0.58 -0.75 4.39 2.61 3h75A1 THR 300 HB -1.84 0.02 0.02 -0.04 4.32 2.47 3h75A1 THR 300 HG23 -1.75 -0.01 -0.08 -0.04 1.22 -0.66 3h75A1 LEU 301 H -0.51 0.36 -0.29 -0.55 8.37 7.38 3h75A1 LEU 301 HA -0.26 0.07 0.22 -0.75 4.35 3.63 3h75A1 LEU 301 HB2 -0.04 -0.00 0.12 -0.04 1.64 1.67 3h75A1 LEU 301 HB3 0.03 -0.01 0.01 -0.04 1.64 1.63 3h75A1 LEU 301 HG 0.07 0.07 -0.07 -0.04 1.64 1.67 3h75A1 LEU 301 HD13 0.12 -0.00 -0.07 -0.04 0.93 0.94 3h75A1 LEU 301 HD23 0.10 0.01 -0.23 -0.04 0.89 0.73 3h75A1 GLY 302 H -1.24 0.15 -0.29 -0.55 8.43 6.51 3h75A1 GLY 302 HA2 -0.33 0.07 0.29 -0.51 4.01 3.53 3h75A1 GLY 302 HA3 -0.77 0.12 0.18 -0.51 4.01 3.03 3h75A1 GLY 303 H -0.52 0.21 -0.27 -0.55 8.43 7.30 3h75A1 GLY 303 HA2 -0.53 0.08 0.34 -0.51 4.01 3.39 3h75A1 GLY 303 HA3 -0.51 0.08 0.27 -0.51 4.01 3.35 3h75A1 TRP 304 H -0.72 0.35 -0.16 -0.55 7.97 6.89 3h75A1 TRP 304 HA -0.75 0.06 0.36 -0.75 4.62 3.54 3h75A1 TRP 304 HB2 -0.69 0.10 -0.02 -0.04 3.23 2.57 3h75A1 TRP 304 HB3 -2.34 0.02 -0.04 -0.04 3.23 0.83 3h75A1 TRP 304 HD1 -0.30 -0.03 -0.21 -0.04 7.22 6.63 3h75A1 TRP 304 HE1 -0.21 -0.07 -0.24 -0.04 10.20 9.63 3h75A1 TRP 304 HE3 -0.09 0.04 -0.21 -0.04 7.59 7.29 3h75A1 TRP 304 HZ2 -0.09 0.05 -0.10 -0.04 7.44 7.25 3h75A1 TRP 304 HZ3 0.03 0.05 -0.14 -0.04 7.13 7.04 3h75A1 TRP 304 HH2 0.11 0.05 -0.09 -0.04 7.19 7.22 3h75A1 ALA 305 H -0.24 0.47 -0.32 -0.55 8.40 7.76 3h75A1 ALA 305 HA -0.21 0.04 0.31 -0.75 4.34 3.72 3h75A1 ALA 305 HB3 0.02 0.05 -0.03 -0.04 1.41 1.41 3h75A1 LEU 306 H -0.28 0.41 -0.34 -0.55 8.37 7.61 3h75A1 LEU 306 HA -0.27 0.03 0.34 -0.75 4.35 3.69 3h75A1 LEU 306 HB2 -0.34 0.11 0.00 -0.04 1.64 1.37 3h75A1 LEU 306 HB3 -0.24 -0.01 -0.14 -0.04 1.64 1.21 3h75A1 LEU 306 HG -0.27 0.17 -0.07 -0.04 1.64 1.44 3h75A1 LEU 306 HD13 -0.26 -0.02 -0.19 -0.04 0.93 0.42 3h75A1 LEU 306 HD23 -0.17 -0.01 -0.18 -0.04 0.89 0.50 3h75A1 VAL 307 H -0.20 0.35 -0.33 -0.55 8.24 7.52 3h75A1 VAL 307 HA -0.09 0.05 0.36 -0.75 4.13 3.70 3h75A1 VAL 307 HB -0.04 0.14 0.11 -0.04 2.12 2.28 3h75A1 VAL 307 HG13 0.05 -0.00 -0.25 -0.04 0.97 0.73 3h75A1 VAL 307 HG23 0.26 0.04 -0.03 -0.04 0.95 1.17 3h75A1 ALA 308 H -0.38 0.47 -0.20 -0.55 8.40 7.76 3h75A1 ALA 308 HA -0.23 0.05 0.39 -0.75 4.34 3.79 3h75A1 ALA 308 HB3 -0.87 0.03 0.04 -0.04 1.41 0.56 3h75A1 LEU 309 H -0.41 0.56 -0.17 -0.55 8.37 7.81 3h75A1 LEU 309 HA -0.51 0.03 0.40 -0.75 4.35 3.51 3h75A1 LEU 309 HB2 -0.45 0.03 0.01 -0.04 1.64 1.19 3h75A1 LEU 309 HB3 -1.04 -0.01 -0.10 -0.04 1.64 0.45 3h75A1 LEU 309 HG -0.78 0.19 -0.06 -0.04 1.64 0.96 3h75A1 LEU 309 HD13 -0.32 -0.02 -0.18 -0.04 0.93 0.37 3h75A1 LEU 309 HD23 -0.67 -0.01 -0.14 -0.04 0.89 0.03 3h75A1 HIS 310 H -0.11 0.63 -0.26 -0.55 8.41 8.13 3h75A1 HIS 310 HA -0.11 0.01 0.37 -0.75 4.63 4.14 3h75A1 HIS 310 HB2 -0.11 -0.01 0.06 -0.04 3.26 3.17 3h75A1 HIS 310 HB3 -0.09 0.13 0.20 -0.04 3.20 3.39 3h75A1 HIS 310 HD2 -0.04 0.16 0.01 -0.04 6.97 7.06 3h75A1 HIS 310 HE1 0.00 -0.06 -0.03 -0.04 7.75 7.62 3h75A1 ASP 311 H 0.08 0.50 -0.26 -0.55 8.40 8.17 3h75A1 ASP 311 HA 0.04 -0.01 0.46 -0.75 4.63 4.38 3h75A1 ASP 311 HB2 0.19 0.13 0.18 -0.04 2.71 3.17 3h75A1 ASP 311 HB3 0.19 0.14 0.09 -0.04 2.70 3.08 3h75A1 ASP 312 H -0.08 0.51 -0.19 -0.55 8.40 8.09 3h75A1 ASP 312 HA -0.07 -0.04 0.20 -0.75 4.63 3.96 3h75A1 ASP 312 HB2 -0.21 0.02 0.06 -0.04 2.71 2.54 3h75A1 ASP 312 HB3 -0.31 0.12 0.11 -0.04 2.70 2.58 3h75A1 ALA 313 H -0.10 0.57 -0.25 -0.55 8.40 8.08 3h75A1 ALA 313 HA -0.00 0.03 0.40 -0.75 4.34 4.01 3h75A1 ALA 313 HB3 0.02 0.03 0.09 -0.04 1.41 1.51 3h75A1 LEU 314 H -0.11 0.28 -0.50 -0.55 8.37 7.49 3h75A1 LEU 314 HA -0.07 0.10 0.63 -0.75 4.35 4.26 3h75A1 LEU 314 HB2 -0.07 0.06 0.15 -0.04 1.64 1.74 3h75A1 LEU 314 HB3 -0.05 -0.08 0.15 -0.04 1.64 1.61 3h75A1 LEU 314 HG -0.33 0.19 0.03 -0.04 1.64 1.48 3h75A1 LEU 314 HD13 -0.12 -0.03 -0.01 -0.04 0.93 0.73 3h75A1 LEU 314 HD23 -0.10 -0.00 0.01 -0.04 0.89 0.75 3h75A1 GLY 315 H -0.06 0.48 -0.50 -0.55 8.43 7.82 3h75A1 GLY 315 HA2 -0.04 0.02 0.30 -0.51 4.01 3.78 3h75A1 GLY 315 HA3 -0.02 0.07 0.59 -0.51 4.01 4.14 3h75A1 LEU 316 H 0.00 0.41 -0.28 -0.55 8.37 7.96 3h75A1 LEU 316 HA 0.04 0.09 0.55 -0.75 4.35 4.28 3h75A1 LEU 316 HB2 0.08 0.00 0.16 -0.04 1.64 1.84 3h75A1 LEU 316 HB3 0.09 -0.02 0.08 -0.04 1.64 1.75 3h75A1 LEU 316 HG 0.01 0.09 -0.15 -0.04 1.64 1.55 3h75A1 LEU 316 HD13 0.05 -0.04 -0.11 -0.04 0.93 0.79 3h75A1 LEU 316 HD23 0.02 0.01 -0.08 -0.04 0.89 0.80 3h75A1 ASP 317 H 0.05 0.35 -0.26 -0.55 8.40 7.99 3h75A1 ASP 317 HA 0.21 0.22 0.82 -0.75 4.63 5.13 3h75A1 ASP 317 HB2 0.15 -0.10 0.15 -0.04 2.71 2.87 3h75A1 ASP 317 HB3 0.02 0.04 -0.12 -0.04 2.70 2.60 3h75A1 ALA 318 H 0.13 0.07 0.09 -0.55 8.40 8.15 3h75A1 ALA 318 HA 0.08 0.01 0.29 -0.75 4.34 3.96 3h75A1 ALA 318 HB3 0.05 0.03 0.07 -0.04 1.41 1.52 3h75A1 ARG 319 H 0.02 0.05 0.11 -0.55 8.46 8.09 3h75A1 ARG 319 HA -0.04 0.24 0.43 -0.75 4.34 4.22 3h75A1 ARG 319 HB2 0.00 0.02 0.15 -0.04 1.90 2.04 3h75A1 ARG 319 HB3 -0.01 -0.21 0.24 -0.04 1.80 1.78 3h75A1 ARG 319 HG2 -0.01 0.00 0.06 -0.04 1.67 1.68 3h75A1 ARG 319 HG3 -0.02 0.09 0.04 -0.04 1.67 1.74 3h75A1 ARG 319 HD2 0.01 -0.25 -0.03 -0.04 3.22 2.92 3h75A1 ARG 319 HD3 0.01 0.01 0.05 -0.04 3.22 3.26 3h75A1 ARG 320 H -0.01 0.13 0.11 -0.55 8.46 8.13 3h75A1 ARG 320 HA -0.01 0.02 0.41 -0.75 4.34 4.00 3h75A1 ARG 320 HB2 -0.00 0.06 -0.00 -0.04 1.90 1.91 3h75A1 ARG 320 HB3 -0.00 -0.05 0.05 -0.04 1.80 1.76 3h75A1 ARG 320 HG2 0.03 0.36 -0.17 -0.04 1.67 1.85 3h75A1 ARG 320 HG3 0.02 0.02 -0.07 -0.04 1.67 1.59 3h75A1 ARG 320 HD2 0.01 -0.08 -0.18 -0.04 3.22 2.93 3h75A1 ARG 320 HD3 0.02 -0.05 -0.35 -0.04 3.22 2.80 3h75A1 LEU 321 H 0.04 0.97 0.52 -0.55 8.37 9.36 3h75A1 LEU 321 HA -0.06 0.11 0.54 -0.75 4.35 4.18 3h75A1 LEU 321 HB2 0.22 0.14 0.04 -0.04 1.64 2.00 3h75A1 LEU 321 HB3 0.22 -0.08 0.12 -0.04 1.64 1.86 3h75A1 LEU 321 HG 0.03 -0.03 0.04 -0.04 1.64 1.65 3h75A1 LEU 321 HD13 0.13 0.01 -0.02 -0.04 0.93 1.00 3h75A1 LEU 321 HD23 -0.23 0.00 0.03 -0.04 0.89 0.65 3h75A1 GLY 322 H -0.01 -0.02 -0.85 -0.55 8.43 7.01 3h75A1 GLY 322 HA2 -0.11 -0.03 0.16 -0.51 4.01 3.52 3h75A1 GLY 322 HA3 0.04 0.15 0.62 -0.51 4.01 4.31 3h75A1 GLY 323 H -0.32 0.18 -0.23 -0.55 8.43 7.52 3h75A1 GLY 323 HA2 -2.00 0.06 0.29 -0.51 4.01 1.84 3h75A1 GLY 323 HA3 -1.07 0.07 0.24 -0.51 4.01 2.74 3h75A1 PRO 324 HA -0.23 0.07 0.35 -0.51 4.44 4.11 3h75A1 PRO 324 HB2 -0.06 0.05 0.14 -0.04 2.28 2.37 3h75A1 PRO 324 HB3 0.35 0.01 0.09 -0.04 2.02 2.43 3h75A1 PRO 324 HG2 -0.10 0.03 0.02 -0.04 2.03 1.95 3h75A1 PRO 324 HG3 -0.02 0.05 0.09 -0.04 2.03 2.10 3h75A1 PRO 324 HD2 -0.09 0.09 0.37 -0.04 3.68 4.01 3h75A1 PRO 324 HD3 -0.00 0.05 0.04 -0.04 3.65 3.70 3h75A1 ASP 325 H -0.26 0.25 -0.20 -0.55 8.40 7.64 3h75A1 ASP 325 HA 0.05 0.19 1.03 -0.75 4.63 5.14 3h75A1 ASP 325 HB2 -0.07 0.01 0.13 -0.04 2.71 2.73 3h75A1 ASP 325 HB3 -0.02 -0.01 -0.01 -0.04 2.70 2.63 3h75A1 TRP 326 H 0.60 0.50 0.11 -0.55 7.97 8.64 3h75A1 TRP 326 HA 0.13 0.15 0.54 -0.75 4.62 4.69 3h75A1 TRP 326 HB2 0.22 0.02 0.13 -0.04 3.23 3.56 3h75A1 TRP 326 HB3 0.20 -0.05 -0.09 -0.04 3.23 3.25 3h75A1 TRP 326 HD1 0.25 -0.01 -0.03 -0.04 7.22 7.39 3h75A1 TRP 326 HE1 0.43 0.49 0.00 -0.04 10.20 11.08 3h75A1 TRP 326 HE3 0.45 0.27 -0.03 -0.04 7.59 8.24 3h75A1 TRP 326 HZ2 0.40 0.06 -0.12 -0.04 7.44 7.74 3h75A1 TRP 326 HZ3 0.66 0.02 -0.01 -0.04 7.13 7.76 3h75A1 TRP 326 HH2 0.33 0.04 -0.04 -0.04 7.19 7.47 3h75A1 GLN 327 H 0.23 0.22 0.17 -0.55 8.47 8.55 3h75A1 GLN 327 HA 0.16 0.21 0.84 -0.75 4.36 4.81 3h75A1 GLN 327 HB2 0.09 -0.03 0.16 -0.04 2.15 2.34 3h75A1 GLN 327 HB3 0.09 -0.06 -0.01 -0.04 2.02 2.01 3h75A1 GLN 327 HG2 0.08 -0.00 -0.15 -0.04 2.40 2.28 3h75A1 GLN 327 HG3 0.07 0.16 -0.23 -0.04 2.39 2.35 3h75A1 GLN 327 HE21 0.01 -0.06 -0.02 -0.04 6.97 6.86 3h75A1 GLN 327 HE22 0.01 0.14 -0.01 -0.04 7.69 7.79 3h75A1 LEU 328 H 0.15 0.83 0.27 -0.55 8.37 9.08 3h75A1 LEU 328 HA 0.13 0.24 0.99 -0.75 4.35 4.96 3h75A1 LEU 328 HB2 0.13 -0.12 -0.06 -0.04 1.64 1.55 3h75A1 LEU 328 HB3 0.12 -0.00 -0.09 -0.04 1.64 1.62 3h75A1 LEU 328 HG 0.25 0.13 -0.25 -0.04 1.64 1.72 3h75A1 LEU 328 HD13 0.13 -0.03 -0.17 -0.04 0.93 0.81 3h75A1 LEU 328 HD23 0.30 0.06 -0.21 -0.04 0.89 1.00 3h75A1 SER 329 H 0.07 0.34 0.07 -0.55 8.46 8.40 3h75A1 SER 329 HA 0.09 -0.01 0.78 -0.75 4.49 4.60 3h75A1 SER 329 HB2 0.05 0.08 0.19 -0.04 3.95 4.24 3h75A1 SER 329 HB3 0.07 0.02 0.05 -0.04 3.93 4.04 3h75A1 LEU 330 H 0.02 -0.07 0.04 -0.55 8.37 7.81 3h75A1 LEU 330 HA 0.02 0.30 0.93 -0.75 4.35 4.85 3h75A1 LEU 330 HB2 -0.22 -0.16 -0.12 -0.04 1.64 1.10 3h75A1 LEU 330 HB3 -0.09 0.01 -0.26 -0.04 1.64 1.27 3h75A1 LEU 330 HG 0.06 0.01 -0.36 -0.04 1.64 1.31 3h75A1 LEU 330 HD13 0.05 -0.01 -0.14 -0.04 0.93 0.80 3h75A1 LEU 330 HD23 0.17 0.07 -0.26 -0.04 0.89 0.83 3h75A1 PHE 331 H 0.07 -0.08 0.06 -0.55 8.34 7.84 3h75A1 PHE 331 HA 0.05 0.15 0.39 -0.75 4.62 4.46 3h75A1 PHE 331 HB2 0.03 0.02 0.08 -0.04 3.15 3.23 3h75A1 PHE 331 HB3 0.01 0.09 -0.10 -0.04 3.06 3.02 3h75A1 PHE 331 HD2 -0.01 0.08 -0.25 -0.04 7.28 7.07 3h75A1 PHE 331 HE2 -0.26 -0.04 -0.12 -0.04 7.38 6.92 3h75A1 PHE 331 HZ -1.15 0.01 -0.02 -0.04 7.32 6.11 3h75A1 GLN 332 H 0.25 0.36 0.41 -0.55 8.47 8.95 3h75A1 GLN 332 HA 0.11 0.16 0.72 -0.75 4.36 4.59 3h75A1 GLN 332 HB2 0.10 -0.02 0.08 -0.04 2.15 2.27 3h75A1 GLN 332 HB3 0.07 0.05 -0.10 -0.04 2.02 2.01 3h75A1 GLN 332 HG2 0.07 0.07 0.00 -0.04 2.40 2.50 3h75A1 GLN 332 HG3 0.08 0.06 -0.36 -0.04 2.39 2.13 3h75A1 GLN 332 HE21 0.04 -0.07 -0.03 -0.04 6.97 6.88 3h75A1 GLN 332 HE22 0.05 -0.00 0.01 -0.04 7.69 7.70 3h75A1 ALA 333 H 0.06 0.22 0.09 -0.55 8.40 8.22 3h75A1 ALA 333 HA 0.04 0.08 0.58 -0.75 4.34 4.28 3h75A1 ALA 333 HB3 0.02 0.03 0.12 -0.04 1.41 1.54 3h75A1 LEU 334 H 0.05 0.51 0.34 -0.55 8.37 8.73 3h75A1 LEU 334 HA 0.05 -0.08 0.30 -0.75 4.35 3.87 3h75A1 LEU 334 HB2 0.04 0.04 0.09 -0.04 1.64 1.76 3h75A1 LEU 334 HB3 0.04 0.02 -0.03 -0.04 1.64 1.62 3h75A1 LEU 334 HG 0.08 0.09 0.12 -0.04 1.64 1.89 3h75A1 LEU 334 HD13 0.05 -0.03 -0.08 -0.04 0.93 0.84 3h75A1 LEU 334 HD23 0.08 -0.03 -0.09 -0.04 0.89 0.81 3h75A1 THR 335 H 0.03 -0.02 0.20 -0.55 8.28 7.95 3h75A1 THR 335 HA 0.02 0.32 0.71 -0.75 4.39 4.69 3h75A1 THR 335 HB 0.02 0.08 0.18 -0.04 4.32 4.55 3h75A1 THR 335 HG23 0.02 0.04 0.06 -0.04 1.22 1.30 3h75A1 PRO 336 HA 0.01 0.08 0.37 -0.51 4.44 4.40 3h75A1 PRO 336 HB2 0.01 -0.02 0.08 -0.04 2.28 2.31 3h75A1 PRO 336 HB3 0.01 0.13 0.11 -0.04 2.02 2.23 3h75A1 PRO 336 HG2 0.01 0.11 0.11 -0.04 2.03 2.22 3h75A1 PRO 336 HG3 0.01 0.21 0.04 -0.04 2.03 2.25 3h75A1 PRO 336 HD2 0.02 0.06 0.24 -0.04 3.68 3.95 3h75A1 PRO 336 HD3 0.02 0.24 0.23 -0.04 3.65 4.10 3h75A1 ALA 337 H 0.02 0.16 -0.16 -0.55 8.40 7.87 3h75A1 ALA 337 HA 0.01 0.12 0.41 -0.75 4.34 4.13 3h75A1 ALA 337 HB3 0.02 0.03 0.05 -0.04 1.41 1.46 3h75A1 GLN 338 H 0.02 0.07 -0.22 -0.55 8.47 7.80 3h75A1 GLN 338 HA 0.03 0.12 0.46 -0.75 4.36 4.22 3h75A1 GLN 338 HB2 0.04 -0.01 0.14 -0.04 2.15 2.27 3h75A1 GLN 338 HB3 0.04 -0.00 0.00 -0.04 2.02 2.02 3h75A1 GLN 338 HG2 0.03 0.08 0.01 -0.04 2.40 2.49 3h75A1 GLN 338 HG3 0.03 -0.04 0.06 -0.04 2.39 2.40 3h75A1 GLN 338 HE21 0.04 0.02 -0.05 -0.04 6.97 6.94 3h75A1 GLN 338 HE22 0.04 0.04 -0.04 -0.04 7.69 7.68 3h75A1 ALA 339 H 0.02 0.57 -0.20 -0.55 8.40 8.24 3h75A1 ALA 339 HA 0.02 -0.05 0.38 -0.75 4.34 3.94 3h75A1 ALA 339 HB3 0.01 0.04 0.03 -0.04 1.41 1.45 3h75A1 ARG 340 H 0.01 0.51 -0.27 -0.55 8.46 8.16 3h75A1 ARG 340 HA 0.00 0.00 0.39 -0.75 4.34 3.98 3h75A1 ARG 340 HB2 0.01 0.07 0.12 -0.04 1.90 2.05 3h75A1 ARG 340 HB3 0.01 0.17 0.16 -0.04 1.80 2.10 3h75A1 ARG 340 HG2 0.01 0.01 -0.04 -0.04 1.67 1.61 3h75A1 ARG 340 HG3 0.00 -0.06 -0.10 -0.04 1.67 1.48 3h75A1 ARG 340 HD2 0.00 0.03 0.00 -0.04 3.22 3.22 3h75A1 ARG 340 HD3 0.00 -0.00 -0.01 -0.04 3.22 3.17 3h75A1 GLN 341 H 0.02 0.38 -0.20 -0.55 8.47 8.12 3h75A1 GLN 341 HA 0.01 0.04 0.44 -0.75 4.36 4.10 3h75A1 GLN 341 HB2 0.03 0.10 0.20 -0.04 2.15 2.44 3h75A1 GLN 341 HB3 0.03 0.01 0.01 -0.04 2.02 2.03 3h75A1 GLN 341 HG2 0.02 -0.02 0.06 -0.04 2.40 2.42 3h75A1 GLN 341 HG3 0.02 0.14 0.12 -0.04 2.39 2.63 3h75A1 GLN 341 HE21 0.02 0.37 0.14 -0.04 6.97 7.47 3h75A1 GLN 341 HE22 0.02 -0.05 0.04 -0.04 7.69 7.67 3h75A1 LEU 342 H 0.02 0.50 -0.09 -0.55 8.37 8.26 3h75A1 LEU 342 HA 0.02 0.04 0.42 -0.75 4.35 4.08 3h75A1 LEU 342 HB2 0.00 0.09 0.09 -0.04 1.64 1.78 3h75A1 LEU 342 HB3 -0.03 -0.08 0.01 -0.04 1.64 1.49 3h75A1 LEU 342 HG 0.05 0.19 0.03 -0.04 1.64 1.87 3h75A1 LEU 342 HD13 0.08 -0.04 -0.08 -0.04 0.93 0.84 3h75A1 LEU 342 HD23 0.11 -0.01 -0.06 -0.04 0.89 0.89 3h75A1 LEU 343 H -0.01 0.54 -0.30 -0.55 8.37 8.05 3h75A1 LEU 343 HA -0.03 -0.06 0.44 -0.75 4.35 3.94 3h75A1 LEU 343 HB2 -0.02 -0.02 0.05 -0.04 1.64 1.62 3h75A1 LEU 343 HB3 -0.01 0.14 0.16 -0.04 1.64 1.89 3h75A1 LEU 343 HG -0.01 0.04 -0.23 -0.04 1.64 1.39 3h75A1 LEU 343 HD13 -0.03 -0.02 0.06 -0.04 0.93 0.91 3h75A1 LEU 343 HD23 -0.01 -0.01 -0.08 -0.04 0.89 0.74 3h75A1 ARG 344 H -0.00 0.56 -0.07 -0.55 8.46 8.39 3h75A1 ARG 344 HA -0.01 -0.01 0.38 -0.75 4.34 3.95 3h75A1 ARG 344 HB2 0.00 -0.00 0.13 -0.04 1.90 1.99 3h75A1 ARG 344 HB3 0.01 0.11 0.17 -0.04 1.80 2.05 3h75A1 ARG 344 HG2 0.00 0.01 -0.22 -0.04 1.67 1.42 3h75A1 ARG 344 HG3 0.00 -0.05 0.03 -0.04 1.67 1.60 3h75A1 ARG 344 HD2 0.00 -0.03 -0.03 -0.04 3.22 3.12 3h75A1 ARG 344 HD3 0.00 -0.02 -0.01 -0.04 3.22 3.15 3h75A1 LEU 345 H 0.00 0.42 -0.20 -0.55 8.37 8.04 3h75A1 LEU 345 HA 0.01 0.09 0.50 -0.75 4.35 4.19 3h75A1 LEU 345 HB2 0.02 0.07 0.11 -0.04 1.64 1.81 3h75A1 LEU 345 HB3 0.03 -0.15 -0.10 -0.04 1.64 1.38 3h75A1 LEU 345 HG 0.02 0.00 -0.02 -0.04 1.64 1.60 3h75A1 LEU 345 HD13 0.04 0.00 -0.02 -0.04 0.93 0.91 3h75A1 LEU 345 HD23 0.02 -0.00 -0.09 -0.04 0.89 0.78 3h75A1 GLY 346 H -0.03 0.60 -0.07 -0.55 8.43 8.39 3h75A1 GLY 346 HA2 -0.07 0.05 0.37 -0.51 4.01 3.84 3h75A1 GLY 346 HA3 -0.04 0.03 0.41 -0.51 4.01 3.90 3h75A1 ASP 347 H -0.04 0.16 0.19 -0.55 8.40 8.17 3h75A1 ASP 347 HA -0.02 0.07 0.51 -0.75 4.63 4.44 3h75A1 ASP 347 HB2 -0.02 0.05 0.12 -0.04 2.71 2.82 3h75A1 ASP 347 HB3 0.00 0.04 0.18 -0.04 2.70 2.89 3h75A1 GLN 348 H 0.01 0.55 -0.62 -0.55 8.47 7.86 3h75A1 GLN 348 HA 0.03 0.13 0.73 -0.75 4.36 4.49 3h75A1 GLN 348 HB2 0.01 0.25 0.08 -0.04 2.15 2.45 3h75A1 GLN 348 HB3 0.02 -0.04 0.12 -0.04 2.02 2.07 3h75A1 GLN 348 HG2 0.00 -0.10 -0.04 -0.04 2.40 2.22 3h75A1 GLN 348 HG3 0.00 0.03 0.03 -0.04 2.39 2.41 3h75A1 GLN 348 HE21 0.00 0.00 -0.02 -0.04 6.97 6.91 3h75A1 GLN 348 HE22 -0.00 -0.03 -0.04 -0.04 7.69 7.58 3h75A1 VAL 349 H 0.06 0.39 -0.27 -0.55 8.24 7.88 3h75A1 VAL 349 HA 0.08 0.10 0.29 -0.75 4.13 3.85 3h75A1 VAL 349 HB 0.08 0.12 0.06 -0.04 2.12 2.33 3h75A1 VAL 349 HG13 0.28 -0.03 -0.09 -0.04 0.97 1.10 3h75A1 VAL 349 HG23 0.16 -0.00 -0.04 -0.04 0.95 1.02 3h75A1 GLY 350 H 0.19 0.15 -0.41 -0.55 8.43 7.81 3h75A1 GLY 350 HA2 0.16 0.02 0.33 -0.51 4.01 4.01 3h75A1 GLY 350 HA3 0.01 0.07 0.25 -0.51 4.01 3.83 3h75A1 THR 351 H 0.05 0.36 -0.39 -0.55 8.28 7.75 3h75A1 THR 351 HA 0.03 0.06 0.41 -0.75 4.39 4.14 3h75A1 THR 351 HB 0.01 -0.03 0.10 -0.04 4.32 4.36 3h75A1 THR 351 HG23 0.01 -0.03 0.07 -0.04 1.22 1.23 3h75A1 ARG 352 H 0.04 0.39 -0.42 -0.55 8.46 7.92 3h75A1 ARG 352 HA -0.00 0.12 0.67 -0.75 4.34 4.38 3h75A1 ARG 352 HB2 0.04 0.14 0.09 -0.04 1.90 2.13 3h75A1 ARG 352 HB3 0.02 -0.04 0.15 -0.04 1.80 1.88 3h75A1 ARG 352 HG2 0.02 -0.02 -0.04 -0.04 1.67 1.59 3h75A1 ARG 352 HG3 0.03 -0.02 -0.09 -0.04 1.67 1.54 3h75A1 ARG 352 HD2 0.02 -0.05 -0.04 -0.04 3.22 3.12 3h75A1 ARG 352 HD3 0.04 0.01 0.01 -0.04 3.22 3.23 3h75A1 VAL 353 H -0.08 0.44 -0.35 -0.55 8.24 7.70 3h75A1 VAL 353 HA -0.14 0.20 0.86 -0.75 4.13 4.29 3h75A1 VAL 353 HB -0.88 0.10 0.10 -0.04 2.12 1.40 3h75A1 VAL 353 HG13 -0.62 -0.04 -0.25 -0.04 0.97 0.03 3h75A1 VAL 353 HG23 0.09 0.02 -0.15 -0.04 0.95 0.87 3h75A1 ASP 354 H -0.14 0.22 0.05 -0.55 8.40 7.98 3h75A1 ASP 354 HA -0.06 0.17 0.70 -0.75 4.63 4.68 3h75A1 ASP 354 HB2 -0.04 0.09 0.04 -0.04 2.71 2.76 3h75A1 ASP 354 HB3 -0.05 0.04 0.18 -0.04 2.70 2.83 3h75A1 PHE 355 H -0.02 0.42 -0.03 -0.55 8.34 8.15 3h75A1 PHE 355 HA 0.08 0.05 0.33 -0.75 4.62 4.32 3h75A1 PHE 355 HB2 -0.10 0.02 0.09 -0.04 3.15 3.13 3h75A1 PHE 355 HB3 -0.09 0.03 -0.06 -0.04 3.06 2.91 3h75A1 PHE 355 HD2 -0.03 0.06 -0.05 -0.04 7.28 7.22 3h75A1 PHE 355 HE2 -0.48 0.02 -0.09 -0.04 7.38 6.79 3h75A1 PHE 355 HZ -1.87 -0.06 0.03 -0.04 7.32 5.38 3h75A1 ARG 356 H 0.08 0.16 -0.09 -0.55 8.46 8.05 3h75A1 ARG 356 HA -0.09 0.08 0.34 -0.75 4.34 3.92 3h75A1 ARG 356 HB2 -0.02 0.18 0.07 -0.04 1.90 2.09 3h75A1 ARG 356 HB3 -0.00 -0.05 0.00 -0.04 1.80 1.71 3h75A1 ARG 356 HG2 -0.01 0.01 -0.09 -0.04 1.67 1.53 3h75A1 ARG 356 HG3 -0.04 0.01 0.07 -0.04 1.67 1.67 3h75A1 ARG 356 HD2 -0.00 -0.05 -0.01 -0.04 3.22 3.11 3h75A1 ARG 356 HD3 0.01 -0.03 -0.01 -0.04 3.22 3.15 3h75A1 GLY 357 H 0.01 0.02 -0.62 -0.55 8.43 7.29 3h75A1 GLY 357 HA2 -0.02 0.09 0.36 -0.51 4.01 3.94 3h75A1 GLY 357 HA3 -0.00 -0.02 0.24 -0.51 4.01 3.71 3h75A1 LEU 358 H 0.07 0.43 -0.36 -0.55 8.37 7.96 3h75A1 LEU 358 HA 0.18 0.08 0.55 -0.75 4.35 4.40 3h75A1 LEU 358 HB2 0.22 0.13 0.09 -0.04 1.64 2.03 3h75A1 LEU 358 HB3 0.22 -0.12 0.03 -0.04 1.64 1.73 3h75A1 LEU 358 HG 0.05 0.19 -0.04 -0.04 1.64 1.81 3h75A1 LEU 358 HD13 0.26 -0.05 -0.10 -0.04 0.93 0.99 3h75A1 LEU 358 HD23 -0.01 -0.01 -0.08 -0.04 0.89 0.75 3h75A1 SER 359 H 0.04 0.28 -0.30 -0.55 8.46 7.94 3h75A1 SER 359 HA 0.21 -0.03 0.40 -0.75 4.49 4.31 3h75A1 SER 359 HB2 -0.09 -0.02 0.13 -0.04 3.95 3.93 3h75A1 SER 359 HB3 0.00 0.27 0.15 -0.04 3.93 4.31 3h75A1 ALA 360 H 0.23 0.11 0.16 -0.55 8.40 8.35 3h75A1 ALA 360 HA -0.36 0.18 0.45 -0.75 4.34 3.85 3h75A1 ALA 360 HB3 0.05 0.00 0.09 -0.04 1.41 1.52 3h75A1 GLN 361 H 0.04 -0.01 -0.47 -0.55 8.47 7.49 3h75A1 GLN 361 HA 0.00 -0.01 0.40 -0.75 4.36 4.00 3h75A1 GLN 361 HB2 0.09 -0.02 0.06 -0.04 2.15 2.24 3h75A1 GLN 361 HB3 0.04 0.06 0.03 -0.04 2.02 2.12 3h75A1 GLN 361 HG2 0.00 0.02 -0.24 -0.04 2.40 2.14 3h75A1 GLN 361 HG3 0.02 -0.01 0.01 -0.04 2.39 2.36 3h75A1 GLN 361 HE21 0.03 0.01 -0.01 -0.04 6.97 6.96 3h75A1 GLN 361 HE22 0.01 0.01 0.00 -0.04 7.69 7.67 3h75A1 GLY 362 H -0.02 0.11 0.20 -0.55 8.43 8.16 3h75A1 GLY 362 HA2 -0.03 -0.05 0.31 -0.51 4.01 3.73 3h75A1 GLY 362 HA3 -0.04 0.04 0.40 -0.51 4.01 3.90 3h75A1 LYS 363 H -0.10 0.40 -0.35 -0.55 8.42 7.81 3h75A1 LYS 363 HA -0.15 0.11 0.64 -0.75 4.32 4.17 3h75A1 LYS 363 HB2 -0.31 0.13 -0.05 -0.04 1.87 1.60 3h75A1 LYS 363 HB3 -0.26 0.03 -0.05 -0.04 1.79 1.48 3h75A1 LYS 363 HG2 -1.87 -0.06 -0.07 -0.04 1.46 -0.58 3h75A1 LYS 363 HG3 -0.45 -0.07 0.01 -0.04 1.46 0.91 3h75A1 LYS 363 HD2 -0.25 -0.06 -0.22 -0.04 1.69 1.12 3h75A1 LYS 363 HD3 -0.40 0.25 -0.14 -0.04 1.68 1.35 3h75A1 LYS 363 HE2 -0.65 0.01 -0.06 -0.04 2.99 2.25 3h75A1 LYS 363 HE3 -0.26 -0.16 -0.02 -0.04 2.99 2.51 3h75A1 PRO 364 HA -0.01 0.01 0.43 -0.51 4.44 4.36 3h75A1 PRO 364 HB2 0.00 0.05 0.08 -0.04 2.28 2.37 3h75A1 PRO 364 HB3 -0.01 -0.01 0.11 -0.04 2.02 2.06 3h75A1 PRO 364 HG2 0.03 0.04 -0.10 -0.04 2.03 1.96 3h75A1 PRO 364 HG3 -0.00 -0.00 0.03 -0.04 2.03 2.02 3h75A1 PRO 364 HD2 -0.09 0.11 0.19 -0.04 3.68 3.84 3h75A1 PRO 364 HD3 -0.05 0.15 0.19 -0.04 3.65 3.91 3h75A1 ASP 365 H 0.00 0.04 0.15 -0.55 8.40 8.04 3h75A1 ASP 365 HA 0.03 0.19 0.66 -0.75 4.63 4.76 3h75A1 ASP 365 HB2 0.01 0.03 0.11 -0.04 2.71 2.81 3h75A1 ASP 365 HB3 0.00 -0.01 0.03 -0.04 2.70 2.68 3h75A1 SER 366 H 0.01 0.19 0.14 -0.55 8.46 8.25 3h75A1 SER 366 HA -0.02 -0.01 0.25 -0.75 4.49 3.96 3h75A1 SER 366 HB2 -0.01 -0.06 0.14 -0.04 3.95 3.97 3h75A1 SER 366 HB3 -0.00 -0.07 -0.16 -0.04 3.93 3.66 3h75A1 TYR 367 H 0.09 0.05 -0.23 -0.55 8.29 7.65 3h75A1 TYR 367 HA -0.09 0.07 0.53 -0.75 4.56 4.33 3h75A1 TYR 367 HB2 -0.07 0.07 -0.06 -0.04 3.06 2.96 3h75A1 TYR 367 HB3 -0.10 -0.00 0.07 -0.04 2.98 2.90 3h75A1 TYR 367 HD2 -0.17 -0.08 -0.15 -0.04 7.15 6.72 3h75A1 TYR 367 HE2 -0.15 -0.04 -0.13 -0.04 6.85 6.49 3h75A1 ARG 368 H -0.56 0.26 0.16 -0.55 8.46 7.76 3h75A1 ARG 368 HA -0.40 0.16 0.77 -0.75 4.34 4.12 3h75A1 ARG 368 HB2 -0.25 -0.03 -0.00 -0.04 1.90 1.58 3h75A1 ARG 368 HB3 -0.18 0.03 0.01 -0.04 1.80 1.61 3h75A1 ARG 368 HG2 -0.12 0.13 -0.21 -0.04 1.67 1.42 3h75A1 ARG 368 HG3 -0.13 0.05 -0.28 -0.04 1.67 1.26 3h75A1 ARG 368 HD2 -0.08 -0.04 -0.04 -0.04 3.22 3.02 3h75A1 ARG 368 HD3 -0.06 0.02 -0.03 -0.04 3.22 3.12 3h75A1 TYR 369 H -0.51 0.18 0.11 -0.55 8.29 7.53 3h75A1 TYR 369 HA -0.72 0.19 0.43 -0.75 4.56 3.71 3h75A1 TYR 369 HB2 -0.82 -0.02 0.15 -0.04 3.06 2.33 3h75A1 TYR 369 HB3 -2.60 -0.10 0.04 -0.04 2.98 0.28 3h75A1 TYR 369 HD2 -0.01 0.11 0.05 -0.04 7.15 7.26 3h75A1 TYR 369 HE2 0.32 0.00 -0.00 -0.04 6.85 7.13 3h75A1 PRO 370 HA -0.26 0.16 0.58 -0.51 4.44 4.41 3h75A1 PRO 370 HB2 -0.16 -0.07 0.15 -0.04 2.28 2.15 3h75A1 PRO 370 HB3 -0.20 0.08 0.08 -0.04 2.02 1.93 3h75A1 PRO 370 HG2 -0.20 -0.06 -0.06 -0.04 2.03 1.67 3h75A1 PRO 370 HG3 -0.10 0.07 0.04 -0.04 2.03 2.00 3h75A1 PRO 370 HD2 -0.26 0.08 0.18 -0.04 3.68 3.63 3h75A1 PRO 370 HD3 -0.45 0.33 0.23 -0.04 3.65 3.72 3h75A1 PHE 371 H -0.72 0.16 -0.69 -0.55 8.34 6.54 3h75A1 PHE 371 HA -1.34 -0.01 0.30 -0.75 4.62 2.82 3h75A1 PHE 371 HB2 -0.49 0.04 -0.01 -0.04 3.15 2.65 3h75A1 PHE 371 HB3 -1.67 -0.09 -0.10 -0.04 3.06 1.16 3h75A1 PHE 371 HD2 -0.81 0.00 -0.07 -0.04 7.28 6.36 3h75A1 PHE 371 HE2 -0.48 0.05 -0.05 -0.04 7.38 6.85 3h75A1 PHE 371 HZ -1.03 0.04 -0.05 -0.04 7.32 6.24 3h75A1 GLY 372 H -0.46 0.22 0.22 -0.55 8.43 7.87 3h75A1 GLY 372 HA2 0.03 0.05 0.41 -0.51 4.01 4.00 3h75A1 GLY 372 HA3 -0.04 0.15 0.42 -0.51 4.01 4.02 3h75A1 LEU 373 H 0.05 0.29 0.19 -0.55 8.37 8.36 3h75A1 LEU 373 HA 0.06 0.07 0.45 -0.75 4.35 4.18 3h75A1 LEU 373 HB2 0.03 0.06 0.18 -0.04 1.64 1.87 3h75A1 LEU 373 HB3 0.05 0.05 0.08 -0.04 1.64 1.78 3h75A1 LEU 373 HG 0.07 0.01 -0.08 -0.04 1.64 1.60 3h75A1 LEU 373 HD13 0.06 -0.02 0.01 -0.04 0.93 0.94 3h75A1 LEU 373 HD23 0.09 0.01 -0.08 -0.04 0.89 0.87 3h75A1 GLN 374 H 0.03 0.13 -0.24 -0.55 8.47 7.85 3h75A1 GLN 374 HA 0.03 0.05 0.33 -0.75 4.36 4.02 3h75A1 GLN 374 HB2 0.01 -0.01 0.05 -0.04 2.15 2.16 3h75A1 GLN 374 HB3 -0.00 0.10 -0.04 -0.04 2.02 2.03 3h75A1 GLN 374 HG2 0.00 0.04 -0.03 -0.04 2.40 2.37 3h75A1 GLN 374 HG3 0.00 0.05 -0.12 -0.04 2.39 2.28 3h75A1 GLN 374 HE21 0.02 0.09 -0.24 -0.04 6.97 6.79 3h75A1 GLN 374 HE22 0.01 0.03 -0.07 -0.04 7.69 7.62 3h75A1 LEU 375 H 0.05 0.30 -0.41 -0.55 8.37 7.76 3h75A1 LEU 375 HA 0.02 0.09 0.37 -0.75 4.35 4.07 3h75A1 LEU 375 HB2 0.20 0.06 0.04 -0.04 1.64 1.90 3h75A1 LEU 375 HB3 0.08 -0.01 0.02 -0.04 1.64 1.69 3h75A1 LEU 375 HG -0.10 0.01 0.04 -0.04 1.64 1.55 3h75A1 LEU 375 HD13 -0.33 -0.03 -0.13 -0.04 0.93 0.40 3h75A1 LEU 375 HD23 -0.06 0.01 -0.03 -0.04 0.89 0.77 3h75A1 LEU 376 H 0.10 0.37 -0.43 -0.55 8.37 7.87 3h75A1 LEU 376 HA 0.10 0.22 0.66 -0.75 4.35 4.58 3h75A1 LEU 376 HB2 0.10 0.11 0.08 -0.04 1.64 1.89 3h75A1 LEU 376 HB3 0.12 -0.03 -0.02 -0.04 1.64 1.68 3h75A1 LEU 376 HG 0.26 0.08 -0.14 -0.04 1.64 1.81 3h75A1 LEU 376 HD13 0.24 -0.04 -0.12 -0.04 0.93 0.97 3h75A1 LEU 376 HD23 -0.11 -0.04 -0.08 -0.04 0.89 0.62 3h75A1 LEU 377 H 0.06 0.20 -0.12 -0.55 8.37 7.96 3h75A1 LEU 377 HA 0.04 0.20 0.81 -0.75 4.35 4.65 3h75A1 LEU 377 HB2 0.04 0.00 0.01 -0.04 1.64 1.65 3h75A1 LEU 377 HB3 0.04 -0.02 0.10 -0.04 1.64 1.71 3h75A1 LEU 377 HG 0.06 0.09 -0.10 -0.04 1.64 1.66 3h75A1 LEU 377 HD13 0.05 -0.04 -0.07 -0.04 0.93 0.83 3h75A1 LEU 377 HD23 0.06 0.02 -0.11 -0.04 0.89 0.82 3h75A1 ARG 378 H 0.03 0.28 -0.27 -0.55 8.46 7.95 3h75A1 ARG 378 HA 0.01 0.01 0.15 -0.75 4.34 3.77 3h75A1 ARG 378 HB2 0.01 0.10 -0.01 -0.04 1.90 1.97 3h75A1 ARG 378 HB3 0.01 -0.02 0.03 -0.04 1.80 1.78 3h75A1 ARG 378 HG2 0.01 -0.08 -0.01 -0.04 1.67 1.54 3h75A1 ARG 378 HG3 0.01 0.39 0.06 -0.04 1.67 2.09 3h75A1 ARG 378 HD2 0.00 0.07 0.02 -0.04 3.22 3.27 3h75A1 ARG 378 HD3 -0.00 -0.02 -0.00 -0.04 3.22 3.15