============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 11 1.000 9.111 -37.221 -4.024 -99.200 -91.000 HIS 19 0.900 -4.977 -36.419 -13.944 -99.200 -91.000 HIS 27 0.900 -2.323 -41.633 -5.929 -99.200 -91.000 TYR 28 0.840 1.886 -41.829 -8.011 -99.200 -91.000 TRP 34 1.040 9.087 -49.390 -9.038 -99.200 -91.000 TRP6 34 1.020 11.408 -49.094 -9.316 -99.200 -91.000 PHE 35 1.000 6.614 -40.888 -7.184 -99.200 -91.000 PHE 38 1.000 7.206 -35.943 -16.685 -99.200 -91.000 HIS 40 0.900 8.455 -30.817 -18.548 -99.200 -91.000 PHE 44 1.000 -0.225 -22.835 -23.232 -99.200 -91.000 PHE 51 1.000 4.310 -32.354 -19.868 -99.200 -91.000 PHE 54 1.000 8.301 -38.433 -19.639 -99.200 -91.000 TYR 58 0.840 -0.250 -43.514 -18.909 -99.200 -91.000 PHE 61 1.000 7.633 -44.406 -18.539 -99.200 -91.000 PHE 77 1.000 -7.398 -22.068 -12.439 -99.200 -91.000 HIS 79 0.900 0.343 -27.249 -14.740 -99.200 -91.000 TRP 82 1.040 1.437 -27.066 -22.669 -99.200 -91.000 TRP6 82 1.020 3.023 -28.035 -21.216 -99.200 -91.000 TRP 85 1.040 -1.796 -25.180 -28.661 -99.200 -91.000 TRP6 85 1.020 0.028 -26.509 -29.412 -99.200 -91.000 HIS 89 0.900 -3.524 -26.199 -31.800 -99.200 -91.000 PHE 96 1.000 2.281 -37.428 -18.483 -99.200 -91.000 HIS 114 0.900 19.592 -27.636 -10.506 -99.200 -91.000 HIS 120 0.900 10.123 -19.483 -16.268 -99.200 -91.000 PHE 126 1.000 13.517 -35.407 -7.798 -99.200 -91.000 TYR 138 0.840 18.755 -32.786 -10.700 -99.200 -91.000 TYR 139 0.840 18.594 -35.462 -19.939 -99.200 -91.000 TRP 170 1.040 21.235 -56.013 -18.865 -99.200 -91.000 TRP6 170 1.020 18.897 -55.694 -19.089 -99.200 -91.000 TYR 199 0.840 26.291 -67.213 -10.206 -99.200 -91.000 TRP 204 1.040 38.837 -61.474 -5.300 -99.200 -91.000 TRP6 204 1.020 37.954 -59.559 -4.215 -99.200 -91.000 TRP 205 1.040 37.592 -57.792 -8.439 -99.200 -91.000 TRP6 205 1.020 37.009 -56.378 -10.266 -99.200 -91.000 PHE 206 1.000 33.041 -58.083 -14.309 -99.200 -91.000 TRP 208 1.040 28.671 -62.868 -16.673 -99.200 -91.000 TRP6 208 1.020 31.026 -62.987 -16.812 -99.200 -91.000 TYR 223 0.840 11.679 -50.506 -22.520 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2cv4H1 PRO 2 HA -0.09 -0.05 0.15 -0.51 4.44 3.95 2cv4H1 PRO 2 HB2 -0.06 0.00 -0.01 -0.04 2.28 2.18 2cv4H1 PRO 2 HB3 -0.08 -0.00 0.08 -0.04 2.02 1.98 2cv4H1 PRO 2 HG2 -0.04 -0.01 -0.02 -0.04 2.03 1.92 2cv4H1 PRO 2 HG3 -0.04 -0.01 0.02 -0.04 2.03 1.95 2cv4H1 PRO 2 HD2 -0.03 -0.02 0.01 -0.04 3.68 3.60 2cv4H1 PRO 2 HD3 -0.03 -0.02 0.03 -0.04 3.65 3.58 2cv4H1 GLY 3 H -0.10 0.21 0.11 -0.55 8.43 8.10 2cv4H1 GLY 3 HA2 -0.04 0.06 0.66 -0.51 4.01 4.18 2cv4H1 GLY 3 HA3 -0.06 0.10 0.23 -0.51 4.01 3.77 2cv4H1 SER 4 H -0.02 0.10 0.15 -0.55 8.46 8.14 2cv4H1 SER 4 HA -0.01 0.09 0.65 -0.75 4.49 4.46 2cv4H1 SER 4 HB2 0.00 0.05 0.03 -0.04 3.95 3.99 2cv4H1 SER 4 HB3 -0.01 -0.05 0.07 -0.04 3.93 3.90 2cv4H1 ILE 5 H 0.02 0.18 0.20 -0.55 8.25 8.10 2cv4H1 ILE 5 HA 0.08 0.17 0.60 -0.75 4.18 4.27 2cv4H1 ILE 5 HB 0.07 -0.07 -0.01 -0.04 1.89 1.83 2cv4H1 ILE 5 HG12 0.04 -0.03 -0.09 -0.04 1.49 1.38 2cv4H1 ILE 5 HG13 0.09 0.16 -0.12 -0.04 1.21 1.30 2cv4H1 ILE 5 HG23 0.28 0.10 0.03 -0.04 0.93 1.29 2cv4H1 ILE 5 HD13 -0.05 -0.27 -0.49 -0.04 0.88 0.03 2cv4H1 PRO 6 HA 0.03 0.03 0.50 -0.51 4.44 4.49 2cv4H1 PRO 6 HB2 0.21 -0.01 -0.04 -0.04 2.28 2.41 2cv4H1 PRO 6 HB3 -0.02 0.04 0.10 -0.04 2.02 2.10 2cv4H1 PRO 6 HG2 -0.15 0.01 0.08 -0.04 2.03 1.93 2cv4H1 PRO 6 HG3 -0.09 0.06 0.07 -0.04 2.03 2.03 2cv4H1 PRO 6 HD2 0.28 0.23 0.14 -0.04 3.68 4.30 2cv4H1 PRO 6 HD3 0.07 0.14 -0.05 -0.04 3.65 3.77 2cv4H1 LEU 7 H 0.05 0.14 0.14 -0.55 8.37 8.16 2cv4H1 LEU 7 HA 0.09 0.22 0.90 -0.75 4.35 4.80 2cv4H1 LEU 7 HB2 0.03 -0.02 -0.03 -0.04 1.64 1.58 2cv4H1 LEU 7 HB3 0.04 -0.00 0.07 -0.04 1.64 1.71 2cv4H1 LEU 7 HG 0.04 0.03 -0.26 -0.04 1.64 1.41 2cv4H1 LEU 7 HD13 0.02 -0.02 -0.02 -0.04 0.93 0.87 2cv4H1 LEU 7 HD23 0.04 0.03 -0.06 -0.04 0.89 0.86 2cv4H1 ILE 8 H 0.06 0.12 0.09 -0.55 8.25 7.97 2cv4H1 ILE 8 HA 0.06 0.08 0.34 -0.75 4.18 3.90 2cv4H1 ILE 8 HB 0.04 -0.04 0.11 -0.04 1.89 1.96 2cv4H1 ILE 8 HG12 0.05 -0.03 -0.27 -0.04 1.49 1.19 2cv4H1 ILE 8 HG13 0.05 -0.02 -0.02 -0.04 1.21 1.18 2cv4H1 ILE 8 HG23 0.02 0.02 -0.11 -0.04 0.93 0.82 2cv4H1 ILE 8 HD13 0.03 0.02 -0.04 -0.04 0.88 0.85 2cv4H1 GLY 9 H 0.02 0.60 0.31 -0.55 8.43 8.81 2cv4H1 GLY 9 HA2 0.00 -0.02 0.37 -0.51 4.01 3.85 2cv4H1 GLY 9 HA3 0.01 0.12 0.68 -0.51 4.01 4.31 2cv4H1 GLU 10 H 0.03 0.53 -0.20 -0.55 8.60 8.42 2cv4H1 GLU 10 HA 0.01 0.06 0.64 -0.75 4.29 4.25 2cv4H1 GLU 10 HB2 0.03 0.02 0.10 -0.04 2.09 2.20 2cv4H1 GLU 10 HB3 0.01 0.03 0.11 -0.04 1.99 2.10 2cv4H1 GLU 10 HG2 0.01 -0.02 0.00 -0.04 2.34 2.29 2cv4H1 GLU 10 HG3 0.02 0.07 -0.08 -0.04 2.34 2.31 2cv4H1 ARG 11 H 0.01 0.06 0.16 -0.55 8.46 8.15 2cv4H1 ARG 11 HA 0.04 0.11 0.51 -0.75 4.34 4.24 2cv4H1 ARG 11 HB2 0.02 -0.03 0.10 -0.04 1.90 1.94 2cv4H1 ARG 11 HB3 0.02 -0.06 0.05 -0.04 1.80 1.77 2cv4H1 ARG 11 HG2 0.07 0.13 -0.03 -0.04 1.67 1.80 2cv4H1 ARG 11 HG3 0.04 0.09 0.01 -0.04 1.67 1.77 2cv4H1 ARG 11 HD2 0.03 -0.06 -0.01 -0.04 3.22 3.14 2cv4H1 ARG 11 HD3 0.03 -0.01 -0.01 -0.04 3.22 3.19 2cv4H1 PHE 12 H 0.19 0.71 0.35 -0.55 8.34 9.04 2cv4H1 PHE 12 HA -0.02 0.06 0.45 -0.75 4.62 4.36 2cv4H1 PHE 12 HB2 -0.01 -0.04 0.02 -0.04 3.15 3.08 2cv4H1 PHE 12 HB3 0.09 -0.07 0.07 -0.04 3.06 3.11 2cv4H1 PHE 12 HD2 -0.04 -0.00 -0.30 -0.04 7.28 6.90 2cv4H1 PHE 12 HE2 -0.33 -0.02 -0.12 -0.04 7.38 6.87 2cv4H1 PHE 12 HZ -0.14 -0.05 -0.12 -0.04 7.32 6.97 2cv4H1 PRO 13 HA -0.08 -0.05 0.33 -0.51 4.44 4.13 2cv4H1 PRO 13 HB2 -0.33 -0.01 0.02 -0.04 2.28 1.92 2cv4H1 PRO 13 HB3 -0.16 0.02 0.05 -0.04 2.02 1.90 2cv4H1 PRO 13 HG2 -0.41 0.09 0.05 -0.04 2.03 1.73 2cv4H1 PRO 13 HG3 -0.22 0.03 0.11 -0.04 2.03 1.91 2cv4H1 PRO 13 HD2 -1.73 0.05 0.09 -0.04 3.68 2.05 2cv4H1 PRO 13 HD3 -0.49 0.13 0.25 -0.04 3.65 3.50 2cv4H1 GLU 14 H 0.01 0.02 0.11 -0.55 8.60 8.20 2cv4H1 GLU 14 HA 0.09 0.39 0.51 -0.75 4.29 4.53 2cv4H1 GLU 14 HB2 0.01 -0.05 0.14 -0.04 2.09 2.15 2cv4H1 GLU 14 HB3 0.03 -0.02 0.12 -0.04 1.99 2.08 2cv4H1 GLU 14 HG2 0.05 0.06 0.10 -0.04 2.34 2.51 2cv4H1 GLU 14 HG3 0.02 -0.05 0.06 -0.04 2.34 2.34 2cv4H1 GLU 16 HA -0.01 -0.01 0.46 -0.75 4.29 3.97 2cv4H1 GLU 16 HB2 -0.00 -0.04 0.06 -0.04 2.09 2.07 2cv4H1 GLU 16 HB3 -0.01 -0.02 -0.11 -0.04 1.99 1.81 2cv4H1 GLU 16 HG2 -0.00 -0.05 0.02 -0.04 2.34 2.26 2cv4H1 GLU 16 HG3 -0.00 0.01 0.00 -0.04 2.34 2.31 2cv4H1 VAL 17 H -0.03 0.76 0.39 -0.55 8.24 8.81 2cv4H1 VAL 17 HA -0.01 0.19 1.07 -0.75 4.13 4.63 2cv4H1 VAL 17 HB -0.01 -0.00 -0.01 -0.04 2.12 2.06 2cv4H1 VAL 17 HG13 0.02 0.01 -0.16 -0.04 0.97 0.80 2cv4H1 VAL 17 HG23 -0.05 0.00 -0.08 -0.04 0.95 0.78 2cv4H1 THR 18 H -0.02 0.23 0.26 -0.55 8.28 8.21 2cv4H1 THR 18 HA -0.03 0.11 0.75 -0.75 4.39 4.46 2cv4H1 THR 18 HB -0.03 0.05 0.24 -0.04 4.32 4.53 2cv4H1 THR 18 HG23 -0.06 -0.02 -0.06 -0.04 1.22 1.05 2cv4H1 THR 19 H -0.03 0.50 0.21 -0.55 8.28 8.41 2cv4H1 THR 19 HA 0.01 0.23 1.00 -0.75 4.39 4.88 2cv4H1 THR 19 HB -0.06 -0.06 -0.17 -0.04 4.32 3.98 2cv4H1 THR 19 HG23 -0.06 0.06 -0.34 -0.04 1.22 0.83 2cv4H1 ASP 20 H 0.02 0.27 0.25 -0.55 8.40 8.39 2cv4H1 ASP 20 HA -0.00 0.09 0.61 -0.75 4.63 4.57 2cv4H1 ASP 20 HB2 0.07 0.07 0.18 -0.04 2.71 3.00 2cv4H1 ASP 20 HB3 0.08 -0.04 0.15 -0.04 2.70 2.85 2cv4H1 HIS 21 H 0.04 0.01 -0.58 -0.55 8.41 7.34 2cv4H1 HIS 21 HA -0.02 0.21 0.81 -0.75 4.63 4.87 2cv4H1 HIS 21 HB2 -0.04 -0.02 -0.07 -0.04 3.26 3.09 2cv4H1 HIS 21 HB3 -0.03 0.04 0.10 -0.04 3.20 3.27 2cv4H1 HIS 21 HD2 -0.03 0.09 -0.54 -0.04 6.97 6.46 2cv4H1 HIS 21 HE1 -0.03 0.34 -0.13 -0.04 7.75 7.88 2cv4H1 GLY 22 H 0.02 0.37 -0.10 -0.55 8.43 8.18 2cv4H1 GLY 22 HA2 -0.01 -0.01 0.34 -0.51 4.01 3.82 2cv4H1 GLY 22 HA3 -0.00 0.29 0.97 -0.51 4.01 4.76 2cv4H1 VAL 23 H -0.02 0.13 0.19 -0.55 8.24 7.98 2cv4H1 VAL 23 HA -0.04 0.24 0.83 -0.75 4.13 4.40 2cv4H1 VAL 23 HB -0.02 -0.02 0.11 -0.04 2.12 2.14 2cv4H1 VAL 23 HG13 -0.03 0.02 -0.20 -0.04 0.97 0.72 2cv4H1 VAL 23 HG23 -0.02 -0.02 0.01 -0.04 0.95 0.87 2cv4H1 ILE 24 H -0.07 0.74 0.41 -0.55 8.25 8.77 2cv4H1 ILE 24 HA -0.15 0.18 0.95 -0.75 4.18 4.41 2cv4H1 ILE 24 HB -0.16 -0.04 -0.07 -0.04 1.89 1.58 2cv4H1 ILE 24 HG12 -0.34 0.11 -0.27 -0.04 1.49 0.95 2cv4H1 ILE 24 HG13 -0.15 0.01 -0.65 -0.04 1.21 0.38 2cv4H1 ILE 24 HG23 -0.47 0.00 -0.18 -0.04 0.93 0.24 2cv4H1 ILE 24 HD13 -0.27 -0.01 -0.18 -0.04 0.88 0.38 2cv4H1 LYS 25 H -0.07 0.19 0.14 -0.55 8.42 8.12 2cv4H1 LYS 25 HA -0.02 0.25 1.16 -0.75 4.32 4.96 2cv4H1 LYS 25 HB2 -0.01 0.02 0.03 -0.04 1.87 1.87 2cv4H1 LYS 25 HB3 -0.00 -0.10 0.07 -0.04 1.79 1.72 2cv4H1 LYS 25 HG2 0.02 0.09 0.02 -0.04 1.46 1.55 2cv4H1 LYS 25 HG3 0.00 0.09 0.09 -0.04 1.46 1.60 2cv4H1 LYS 25 HD2 0.00 0.00 -0.02 -0.04 1.69 1.64 2cv4H1 LYS 25 HD3 0.01 -0.08 -0.06 -0.04 1.68 1.51 2cv4H1 LYS 25 HE2 0.03 0.03 -0.03 -0.04 2.99 2.98 2cv4H1 LYS 25 HE3 0.02 0.06 -0.01 -0.04 2.99 3.01 2cv4H1 LEU 26 H 0.02 0.32 0.18 -0.55 8.37 8.35 2cv4H1 LEU 26 HA -0.07 0.02 0.74 -0.75 4.35 4.29 2cv4H1 LEU 26 HB2 0.18 0.11 0.03 -0.04 1.64 1.92 2cv4H1 LEU 26 HB3 -0.12 0.08 -0.05 -0.04 1.64 1.50 2cv4H1 LEU 26 HG -0.08 -0.08 -0.30 -0.04 1.64 1.13 2cv4H1 LEU 26 HD13 -0.07 0.02 -0.14 -0.04 0.93 0.69 2cv4H1 LEU 26 HD23 -0.43 0.01 -0.20 -0.04 0.89 0.23 2cv4H1 PRO 27 HA -0.03 0.05 0.35 -0.51 4.44 4.30 2cv4H1 PRO 27 HB2 0.25 -0.01 0.05 -0.04 2.28 2.53 2cv4H1 PRO 27 HB3 0.26 0.08 0.05 -0.04 2.02 2.38 2cv4H1 PRO 27 HG2 0.11 -0.02 -0.04 -0.04 2.03 2.04 2cv4H1 PRO 27 HG3 0.17 0.17 0.11 -0.04 2.03 2.44 2cv4H1 PRO 27 HD2 0.12 0.00 0.34 -0.04 3.68 4.11 2cv4H1 PRO 27 HD3 0.28 0.42 -0.09 -0.04 3.65 4.21 2cv4H1 ASP 28 H 0.05 0.22 -0.27 -0.55 8.40 7.86 2cv4H1 ASP 28 HA 0.02 0.06 0.30 -0.75 4.63 4.25 2cv4H1 ASP 28 HB2 0.00 0.00 -0.02 -0.04 2.71 2.66 2cv4H1 ASP 28 HB3 -0.00 0.02 -0.04 -0.04 2.70 2.64 2cv4H1 HIS 29 H -0.01 0.61 -0.04 -0.55 8.41 8.43 2cv4H1 HIS 29 HA -0.17 0.04 0.38 -0.75 4.63 4.13 2cv4H1 HIS 29 HB2 -0.23 -0.12 0.18 -0.04 3.26 3.05 2cv4H1 HIS 29 HB3 -0.53 0.04 0.02 -0.04 3.20 2.69 2cv4H1 HIS 29 HD2 -0.15 -0.03 0.05 -0.04 6.97 6.80 2cv4H1 HIS 29 HE1 -0.22 0.02 -0.07 -0.04 7.75 7.44 2cv4H1 TYR 30 H -0.03 0.38 -0.22 -0.55 8.29 7.86 2cv4H1 TYR 30 HA -0.00 0.12 0.68 -0.75 4.56 4.60 2cv4H1 TYR 30 HB2 0.16 0.05 -0.01 -0.04 3.06 3.22 2cv4H1 TYR 30 HB3 0.20 0.14 -0.23 -0.04 2.98 3.05 2cv4H1 TYR 30 HD2 -0.33 0.02 -0.10 -0.04 7.15 6.69 2cv4H1 TYR 30 HE2 -0.22 -0.02 -0.15 -0.04 6.85 6.42 2cv4H1 VAL 31 H 0.11 0.41 0.04 -0.55 8.24 8.25 2cv4H1 VAL 31 HA 0.07 0.19 0.48 -0.75 4.13 4.12 2cv4H1 VAL 31 HB 0.03 -0.07 0.05 -0.04 2.12 2.10 2cv4H1 VAL 31 HG13 0.01 0.05 -0.13 -0.04 0.97 0.86 2cv4H1 VAL 31 HG23 0.07 0.02 -0.21 -0.04 0.95 0.79 2cv4H1 SER 32 H -0.04 0.80 -0.06 -0.55 8.46 8.61 2cv4H1 SER 32 HA -0.02 0.01 0.37 -0.75 4.49 4.10 2cv4H1 SER 32 HB2 -0.06 -0.05 0.02 -0.04 3.95 3.82 2cv4H1 SER 32 HB3 -0.05 -0.08 0.06 -0.04 3.93 3.82 2cv4H1 GLN 33 H -0.04 0.20 -0.56 -0.55 8.47 7.51 2cv4H1 GLN 33 HA -0.02 0.10 0.76 -0.75 4.36 4.45 2cv4H1 GLN 33 HB2 0.03 0.09 0.09 -0.04 2.15 2.32 2cv4H1 GLN 33 HB3 0.02 -0.04 0.11 -0.04 2.02 2.07 2cv4H1 GLN 33 HG2 -0.09 -0.06 0.00 -0.04 2.40 2.21 2cv4H1 GLN 33 HG3 -0.22 0.05 0.01 -0.04 2.39 2.19 2cv4H1 GLN 33 HE21 -0.22 -0.14 -0.03 -0.04 6.97 6.54 2cv4H1 GLN 33 HE22 -0.75 0.79 0.22 -0.04 7.69 7.91 2cv4H1 GLY 34 H 0.05 0.46 -0.22 -0.55 8.43 8.17 2cv4H1 GLY 34 HA2 0.07 0.03 0.38 -0.51 4.01 3.98 2cv4H1 GLY 34 HA3 0.07 0.01 0.56 -0.51 4.01 4.14 2cv4H1 LYS 35 H 0.15 0.50 0.02 -0.55 8.42 8.53 2cv4H1 LYS 35 HA 0.26 0.31 1.08 -0.75 4.32 5.22 2cv4H1 LYS 35 HB2 0.26 -0.06 0.03 -0.04 1.87 2.06 2cv4H1 LYS 35 HB3 0.27 0.09 -0.06 -0.04 1.79 2.05 2cv4H1 LYS 35 HG2 0.15 0.07 -0.11 -0.04 1.46 1.53 2cv4H1 LYS 35 HG3 0.13 0.06 -0.27 -0.04 1.46 1.33 2cv4H1 LYS 35 HD2 0.22 -0.06 -0.07 -0.04 1.69 1.74 2cv4H1 LYS 35 HD3 0.19 -0.02 -0.21 -0.04 1.68 1.60 2cv4H1 LYS 35 HE2 0.10 0.00 -0.08 -0.04 2.99 2.97 2cv4H1 LYS 35 HE3 0.09 0.04 -0.05 -0.04 2.99 3.03 2cv4H1 TRP 36 H 0.47 0.66 0.38 -0.55 7.97 8.94 2cv4H1 TRP 36 HA 0.00 0.09 0.59 -0.75 4.62 4.55 2cv4H1 TRP 36 HB2 0.01 0.04 0.11 -0.04 3.23 3.34 2cv4H1 TRP 36 HB3 -0.07 0.06 0.09 -0.04 3.23 3.27 2cv4H1 TRP 36 HD1 0.02 0.13 -0.02 -0.04 7.22 7.31 2cv4H1 TRP 36 HE1 0.01 0.04 0.04 -0.04 10.20 10.25 2cv4H1 TRP 36 HE3 -0.06 0.04 -0.20 -0.04 7.59 7.33 2cv4H1 TRP 36 HZ2 -0.01 0.03 -0.03 -0.04 7.44 7.39 2cv4H1 TRP 36 HZ3 -0.03 -0.02 -0.15 -0.04 7.13 6.89 2cv4H1 TRP 36 HH2 -0.02 0.02 -0.13 -0.04 7.19 7.01 2cv4H1 PHE 37 H -0.24 0.53 0.29 -0.55 8.34 8.38 2cv4H1 PHE 37 HA -0.20 0.26 0.68 -0.75 4.62 4.62 2cv4H1 PHE 37 HB2 -0.75 0.01 -0.13 -0.04 3.15 2.23 2cv4H1 PHE 37 HB3 -0.98 0.00 -0.19 -0.04 3.06 1.85 2cv4H1 PHE 37 HD2 -0.24 0.07 -0.35 -0.04 7.28 6.72 2cv4H1 PHE 37 HE2 -0.42 -0.01 -0.09 -0.04 7.38 6.82 2cv4H1 PHE 37 HZ -1.36 0.01 -0.10 -0.04 7.32 5.82 2cv4H1 VAL 38 H -0.09 0.60 0.30 -0.55 8.24 8.49 2cv4H1 VAL 38 HA -0.08 0.27 1.09 -0.75 4.13 4.65 2cv4H1 VAL 38 HB -0.28 -0.04 0.13 -0.04 2.12 1.89 2cv4H1 VAL 38 HG13 -0.01 -0.02 -0.22 -0.04 0.97 0.68 2cv4H1 VAL 38 HG23 0.00 -0.01 -0.12 -0.04 0.95 0.78 2cv4H1 LEU 39 H 0.07 0.67 0.30 -0.55 8.37 8.86 2cv4H1 LEU 39 HA -0.08 0.42 1.03 -0.75 4.35 4.96 2cv4H1 LEU 39 HB2 0.21 -0.05 -0.07 -0.04 1.64 1.69 2cv4H1 LEU 39 HB3 0.21 -0.04 0.11 -0.04 1.64 1.88 2cv4H1 LEU 39 HG -0.06 0.12 -0.14 -0.04 1.64 1.52 2cv4H1 LEU 39 HD13 0.08 -0.03 -0.14 -0.04 0.93 0.80 2cv4H1 LEU 39 HD23 0.17 -0.01 -0.43 -0.04 0.89 0.58 2cv4H1 PHE 40 H -0.62 0.47 0.30 -0.55 8.34 7.95 2cv4H1 PHE 40 HA -0.01 0.44 1.14 -0.75 4.62 5.43 2cv4H1 PHE 40 HB2 -0.10 0.08 -0.04 -0.04 3.15 3.04 2cv4H1 PHE 40 HB3 -0.15 -0.02 -0.10 -0.04 3.06 2.76 2cv4H1 PHE 40 HD2 -0.08 0.05 -0.27 -0.04 7.28 6.93 2cv4H1 PHE 40 HE2 -1.23 -0.05 -0.13 -0.04 7.38 5.92 2cv4H1 PHE 40 HZ -1.67 -0.01 -0.14 -0.04 7.32 5.46 2cv4H1 SER 41 H 0.08 0.69 0.30 -0.55 8.46 8.98 2cv4H1 SER 41 HA 0.11 0.13 1.05 -0.75 4.49 5.03 2cv4H1 SER 41 HB2 0.10 -0.01 0.05 -0.04 3.95 4.05 2cv4H1 SER 41 HB3 0.12 -0.09 -0.03 -0.04 3.93 3.89 2cv4H1 HIS 42 H 0.25 0.78 0.44 -0.55 8.41 9.34 2cv4H1 HIS 42 HA 0.18 0.23 0.74 -0.75 4.63 5.03 2cv4H1 HIS 42 HB2 0.24 -0.12 -0.07 -0.04 3.26 3.27 2cv4H1 HIS 42 HB3 0.20 -0.04 -0.07 -0.04 3.20 3.24 2cv4H1 HIS 42 HD2 0.31 -0.05 -0.29 -0.04 6.97 6.89 2cv4H1 HIS 42 HE1 0.40 -0.07 -0.18 -0.04 7.75 7.86 2cv4H1 PRO 43 HA 0.16 -0.10 0.47 -0.51 4.44 4.45 2cv4H1 PRO 43 HB2 0.09 -0.04 0.02 -0.04 2.28 2.30 2cv4H1 PRO 43 HB3 0.13 0.44 -0.01 -0.04 2.02 2.54 2cv4H1 PRO 43 HG2 0.06 -0.08 0.07 -0.04 2.03 2.05 2cv4H1 PRO 43 HG3 0.07 0.08 0.00 -0.04 2.03 2.15 2cv4H1 PRO 43 HD2 0.15 0.04 0.15 -0.04 3.68 3.97 2cv4H1 PRO 43 HD3 0.07 0.28 -0.09 -0.04 3.65 3.87 2cv4H1 ALA 44 H 0.03 0.23 -0.10 -0.55 8.40 8.01 2cv4H1 ALA 44 HA -0.04 -0.11 0.56 -0.75 4.34 4.00 2cv4H1 ALA 44 HB3 -0.25 0.06 -0.10 -0.04 1.41 1.07 2cv4H1 ASP 45 H -0.26 0.00 0.10 -0.55 8.40 7.69 2cv4H1 ASP 45 HA -2.25 0.10 0.42 -0.75 4.63 2.14 2cv4H1 ASP 45 HB2 -0.25 -0.03 -0.00 -0.04 2.71 2.39 2cv4H1 ASP 45 HB3 -0.99 0.05 0.00 -0.04 2.70 1.73 2cv4H1 PHE 46 H -3.49 0.10 0.14 -0.55 8.34 4.55 2cv4H1 PHE 46 HA -0.74 0.04 0.32 -0.75 4.62 3.49 2cv4H1 PHE 46 HB2 -0.45 0.14 -0.12 -0.04 3.15 2.67 2cv4H1 PHE 46 HB3 -0.41 0.02 0.21 -0.04 3.06 2.84 2cv4H1 PHE 46 HD2 -0.46 0.00 -0.11 -0.04 7.28 6.67 2cv4H1 PHE 46 HE2 -0.08 -0.00 -0.01 -0.04 7.38 7.25 2cv4H1 PHE 46 HZ 0.12 -0.01 -0.34 -0.04 7.32 7.05 2cv4H1 THR 47 H -0.47 0.17 -0.14 -0.55 8.28 7.29 2cv4H1 THR 47 HA -0.11 0.18 0.79 -0.75 4.39 4.49 2cv4H1 THR 47 HB -0.05 -0.06 0.02 -0.04 4.32 4.19 2cv4H1 THR 47 HG23 -0.19 0.03 -0.24 -0.04 1.22 0.79 2cv4H1 PRO 48 HA 0.07 0.06 0.37 -0.51 4.44 4.44 2cv4H1 PRO 48 HB2 0.05 -0.06 0.13 -0.04 2.28 2.35 2cv4H1 PRO 48 HB3 0.05 0.06 0.06 -0.04 2.02 2.14 2cv4H1 PRO 48 HG2 0.01 0.06 0.09 -0.04 2.03 2.15 2cv4H1 PRO 48 HG3 -0.00 0.06 0.08 -0.04 2.03 2.13 2cv4H1 PRO 48 HD2 -0.00 0.10 0.15 -0.04 3.68 3.88 2cv4H1 PRO 48 HD3 -0.05 0.21 0.26 -0.04 3.65 4.03 2cv4H1 VAL 49 H 0.08 0.15 -0.03 -0.55 8.24 7.89 2cv4H1 VAL 49 HA 0.12 0.06 0.24 -0.75 4.13 3.79 2cv4H1 VAL 49 HB 0.12 0.05 0.02 -0.04 2.12 2.26 2cv4H1 VAL 49 HG13 0.13 0.01 -0.03 -0.04 0.97 1.03 2cv4H1 VAL 49 HG23 0.07 0.02 -0.01 -0.04 0.95 0.99 2cv4H1 THR 51 HA 0.15 -0.15 0.35 -0.75 4.39 3.99 2cv4H1 THR 51 HB 0.20 0.14 0.13 -0.04 4.32 4.74 2cv4H1 THR 51 HG23 0.21 -0.02 -0.11 -0.04 1.22 1.27 2cv4H1 THR 52 H 0.18 0.69 -0.69 -0.55 8.28 7.92 2cv4H1 THR 52 HA 0.12 -0.01 0.43 -0.75 4.39 4.18 2cv4H1 THR 52 HB 0.08 -0.05 0.09 -0.04 4.32 4.40 2cv4H1 THR 52 HG23 0.11 0.09 -0.04 -0.04 1.22 1.34 2cv4H1 GLU 53 H 0.24 0.58 0.26 -0.55 8.60 9.14 2cv4H1 GLU 53 HA 0.03 0.05 0.49 -0.75 4.29 4.11 2cv4H1 GLU 53 HB2 0.48 0.03 -0.04 -0.04 2.09 2.52 2cv4H1 GLU 53 HB3 0.25 -0.03 -0.07 -0.04 1.99 2.10 2cv4H1 GLU 53 HG2 0.02 -0.03 0.07 -0.04 2.34 2.36 2cv4H1 GLU 53 HG3 0.16 0.24 0.13 -0.04 2.34 2.82 2cv4H1 PHE 54 H 0.51 0.22 -0.19 -0.55 8.34 8.33 2cv4H1 PHE 54 HA 0.39 0.05 0.41 -0.75 4.62 4.71 2cv4H1 PHE 54 HB2 -0.20 0.13 0.12 -0.04 3.15 3.16 2cv4H1 PHE 54 HB3 -0.19 -0.00 -0.08 -0.04 3.06 2.74 2cv4H1 PHE 54 HD2 -0.19 0.01 -0.07 -0.04 7.28 6.99 2cv4H1 PHE 54 HE2 -0.87 0.01 -0.13 -0.04 7.38 6.35 2cv4H1 PHE 54 HZ -0.11 -0.07 -0.10 -0.04 7.32 7.00 2cv4H1 VAL 55 H 0.18 0.54 -0.16 -0.55 8.24 8.26 2cv4H1 VAL 55 HA 0.09 0.01 0.35 -0.75 4.13 3.82 2cv4H1 VAL 55 HB 0.10 0.14 0.17 -0.04 2.12 2.48 2cv4H1 VAL 55 HG13 0.06 -0.01 -0.08 -0.04 0.97 0.90 2cv4H1 VAL 55 HG23 0.07 0.01 0.02 -0.04 0.95 1.00 2cv4H1 SER 56 H 0.07 0.46 -0.20 -0.55 8.46 8.24 2cv4H1 SER 56 HA 0.00 0.03 0.34 -0.75 4.49 4.11 2cv4H1 SER 56 HB2 -0.04 0.07 0.13 -0.04 3.95 4.06 2cv4H1 SER 56 HB3 -0.14 0.06 0.18 -0.04 3.93 4.00 2cv4H1 PHE 57 H 0.09 0.58 -0.22 -0.55 8.34 8.24 2cv4H1 PHE 57 HA 0.01 -0.01 0.33 -0.75 4.62 4.19 2cv4H1 PHE 57 HB2 -0.09 0.14 0.16 -0.04 3.15 3.33 2cv4H1 PHE 57 HB3 -0.22 -0.05 -0.11 -0.04 3.06 2.64 2cv4H1 PHE 57 HD2 -0.53 0.04 -0.14 -0.04 7.28 6.61 2cv4H1 PHE 57 HE2 -0.69 -0.01 -0.11 -0.04 7.38 6.52 2cv4H1 PHE 57 HZ -0.65 0.01 -0.12 -0.04 7.32 6.52 2cv4H1 ALA 58 H 0.29 0.60 -0.16 -0.55 8.40 8.58 2cv4H1 ALA 58 HA 0.31 -0.04 0.42 -0.75 4.34 4.28 2cv4H1 ALA 58 HB3 0.08 0.05 0.09 -0.04 1.41 1.58 2cv4H1 ARG 59 H 0.12 0.69 -0.04 -0.55 8.46 8.67 2cv4H1 ARG 59 HA 0.09 -0.00 0.42 -0.75 4.34 4.10 2cv4H1 ARG 59 HB2 0.05 0.13 0.11 -0.04 1.90 2.15 2cv4H1 ARG 59 HB3 0.04 -0.06 0.05 -0.04 1.80 1.79 2cv4H1 ARG 59 HG2 0.05 -0.05 0.06 -0.04 1.67 1.69 2cv4H1 ARG 59 HG3 0.04 0.04 -0.00 -0.04 1.67 1.71 2cv4H1 ARG 59 HD2 0.03 -0.01 0.01 -0.04 3.22 3.21 2cv4H1 ARG 59 HD3 0.03 -0.02 0.03 -0.04 3.22 3.23 2cv4H1 ARG 60 H 0.18 0.38 -0.74 -0.55 8.46 7.73 2cv4H1 ARG 60 HA 0.06 0.08 0.81 -0.75 4.34 4.54 2cv4H1 ARG 60 HB2 0.18 0.12 0.07 -0.04 1.90 2.23 2cv4H1 ARG 60 HB3 -0.08 -0.13 0.14 -0.04 1.80 1.68 2cv4H1 ARG 60 HG2 -0.04 -0.03 -0.07 -0.04 1.67 1.49 2cv4H1 ARG 60 HG3 0.00 0.12 -0.13 -0.04 1.67 1.63 2cv4H1 ARG 60 HD2 -0.13 0.03 -0.15 -0.04 3.22 2.93 2cv4H1 ARG 60 HD3 -0.15 -0.07 -0.16 -0.04 3.22 2.80 2cv4H1 TYR 61 H 0.33 0.65 -0.22 -0.55 8.29 8.49 2cv4H1 TYR 61 HA 0.33 0.04 0.46 -0.75 4.56 4.63 2cv4H1 TYR 61 HB2 0.24 0.10 0.26 -0.04 3.06 3.62 2cv4H1 TYR 61 HB3 0.15 0.00 0.19 -0.04 2.98 3.28 2cv4H1 TYR 61 HD2 0.16 0.01 -0.00 -0.04 7.15 7.27 2cv4H1 TYR 61 HE2 0.13 -0.03 -0.00 -0.04 6.85 6.90 2cv4H1 GLU 62 H 0.13 0.22 -0.12 -0.55 8.60 8.29 2cv4H1 GLU 62 HA -0.07 0.07 0.36 -0.75 4.29 3.90 2cv4H1 GLU 62 HB2 0.04 0.03 0.03 -0.04 2.09 2.14 2cv4H1 GLU 62 HB3 0.01 0.01 -0.04 -0.04 1.99 1.92 2cv4H1 GLU 62 HG2 0.10 0.02 0.06 -0.04 2.34 2.48 2cv4H1 GLU 62 HG3 0.05 0.02 0.02 -0.04 2.34 2.39 2cv4H1 ASP 63 H -0.01 0.16 -0.35 -0.55 8.40 7.64 2cv4H1 ASP 63 HA -0.05 0.05 0.47 -0.75 4.63 4.35 2cv4H1 ASP 63 HB2 -0.25 0.19 0.12 -0.04 2.71 2.72 2cv4H1 ASP 63 HB3 -0.28 -0.01 -0.02 -0.04 2.70 2.36 2cv4H1 PHE 64 H -0.02 0.41 -0.14 -0.55 8.34 8.03 2cv4H1 PHE 64 HA -0.11 -0.01 0.39 -0.75 4.62 4.14 2cv4H1 PHE 64 HB2 -0.10 0.09 0.18 -0.04 3.15 3.28 2cv4H1 PHE 64 HB3 -0.07 0.20 -0.05 -0.04 3.06 3.09 2cv4H1 PHE 64 HD2 -0.01 0.09 -0.10 -0.04 7.28 7.22 2cv4H1 PHE 64 HE2 -0.03 -0.02 -0.16 -0.04 7.38 7.14 2cv4H1 PHE 64 HZ -0.06 -0.05 -0.12 -0.04 7.32 7.06 2cv4H1 GLN 65 H -0.12 0.59 -0.04 -0.55 8.47 8.36 2cv4H1 GLN 65 HA -0.06 0.05 0.41 -0.75 4.36 4.00 2cv4H1 GLN 65 HB2 -0.14 0.05 0.15 -0.04 2.15 2.17 2cv4H1 GLN 65 HB3 -0.09 -0.05 0.02 -0.04 2.02 1.86 2cv4H1 GLN 65 HG2 -0.83 0.28 0.09 -0.04 2.40 1.90 2cv4H1 GLN 65 HG3 -0.48 -0.09 -0.04 -0.04 2.39 1.74 2cv4H1 GLN 65 HE21 0.03 -0.07 -0.02 -0.04 6.97 6.87 2cv4H1 GLN 65 HE22 -0.36 0.06 0.04 -0.04 7.69 7.38 2cv4H1 ARG 66 H -0.05 0.54 -0.18 -0.55 8.46 8.21 2cv4H1 ARG 66 HA -0.02 0.02 0.49 -0.75 4.34 4.08 2cv4H1 ARG 66 HB2 -0.03 0.10 0.08 -0.04 1.90 2.02 2cv4H1 ARG 66 HB3 -0.02 -0.07 0.03 -0.04 1.80 1.70 2cv4H1 ARG 66 HG2 -0.01 -0.07 0.04 -0.04 1.67 1.59 2cv4H1 ARG 66 HG3 -0.02 0.29 0.09 -0.04 1.67 1.99 2cv4H1 ARG 66 HD2 -0.01 -0.00 -0.01 -0.04 3.22 3.16 2cv4H1 ARG 66 HD3 -0.01 -0.04 -0.00 -0.04 3.22 3.13 2cv4H1 LEU 67 H -0.05 0.35 -0.30 -0.55 8.37 7.82 2cv4H1 LEU 67 HA -0.08 0.07 0.69 -0.75 4.35 4.29 2cv4H1 LEU 67 HB2 -0.10 0.09 0.08 -0.04 1.64 1.67 2cv4H1 LEU 67 HB3 -0.20 -0.06 0.03 -0.04 1.64 1.37 2cv4H1 LEU 67 HG -0.07 0.07 -0.00 -0.04 1.64 1.59 2cv4H1 LEU 67 HD13 -0.21 -0.04 -0.07 -0.04 0.93 0.57 2cv4H1 LEU 67 HD23 -0.06 -0.01 -0.01 -0.04 0.89 0.76 2cv4H1 GLY 68 H -0.01 0.30 -0.45 -0.55 8.43 7.71 2cv4H1 GLY 68 HA2 0.04 0.02 0.30 -0.51 4.01 3.86 2cv4H1 GLY 68 HA3 0.03 0.07 0.56 -0.51 4.01 4.16 2cv4H1 VAL 69 H 0.05 0.59 0.02 -0.55 8.24 8.35 2cv4H1 VAL 69 HA 0.17 0.22 0.98 -0.75 4.13 4.74 2cv4H1 VAL 69 HB 0.26 -0.06 0.01 -0.04 2.12 2.29 2cv4H1 VAL 69 HG13 0.14 -0.01 -0.32 -0.04 0.97 0.74 2cv4H1 VAL 69 HG23 -0.08 -0.01 -0.32 -0.04 0.95 0.49 2cv4H1 ASP 70 H 0.09 0.79 0.27 -0.55 8.40 9.00 2cv4H1 ASP 70 HA 0.09 0.13 0.83 -0.75 4.63 4.93 2cv4H1 ASP 70 HB2 0.05 0.12 0.08 -0.04 2.71 2.92 2cv4H1 ASP 70 HB3 -0.04 -0.00 -0.04 -0.04 2.70 2.58 2cv4H1 LEU 71 H 0.07 0.19 0.20 -0.55 8.37 8.29 2cv4H1 LEU 71 HA -0.28 0.24 1.01 -0.75 4.35 4.56 2cv4H1 LEU 71 HB2 -0.40 -0.05 0.03 -0.04 1.64 1.17 2cv4H1 LEU 71 HB3 -0.79 -0.00 0.02 -0.04 1.64 0.82 2cv4H1 LEU 71 HG -0.25 0.01 -0.22 -0.04 1.64 1.14 2cv4H1 LEU 71 HD13 -0.21 -0.01 -0.09 -0.04 0.93 0.57 2cv4H1 LEU 71 HD23 -1.30 0.03 -0.15 -0.04 0.89 -0.57 2cv4H1 ILE 72 H -0.30 0.53 0.25 -0.55 8.25 8.18 2cv4H1 ILE 72 HA -0.15 0.17 0.58 -0.75 4.18 4.03 2cv4H1 ILE 72 HB -0.13 0.05 -0.16 -0.04 1.89 1.61 2cv4H1 ILE 72 HG12 -0.16 0.18 -0.19 -0.04 1.49 1.29 2cv4H1 ILE 72 HG13 -0.11 -0.04 -0.11 -0.04 1.21 0.91 2cv4H1 ILE 72 HG23 -0.22 -0.01 -0.11 -0.04 0.93 0.54 2cv4H1 ILE 72 HD13 -0.10 -0.03 -0.17 -0.04 0.88 0.54 2cv4H1 GLY 73 H -0.25 0.58 0.29 -0.55 8.43 8.50 2cv4H1 GLY 73 HA2 -1.38 0.33 0.87 -0.51 4.01 3.32 2cv4H1 GLY 73 HA3 -0.52 -0.05 0.41 -0.51 4.01 3.35 2cv4H1 LEU 74 H -0.03 0.34 0.28 -0.55 8.37 8.41 2cv4H1 LEU 74 HA 0.05 0.06 0.62 -0.75 4.35 4.32 2cv4H1 LEU 74 HB2 -0.02 0.12 -0.33 -0.04 1.64 1.36 2cv4H1 LEU 74 HB3 0.05 -0.02 -0.04 -0.04 1.64 1.58 2cv4H1 LEU 74 HG 0.06 -0.00 -0.04 -0.04 1.64 1.62 2cv4H1 LEU 74 HD13 0.07 -0.01 -0.19 -0.04 0.93 0.76 2cv4H1 LEU 74 HD23 0.10 -0.02 -0.35 -0.04 0.89 0.57 2cv4H1 SER 75 H 0.18 0.64 0.26 -0.55 8.46 9.00 2cv4H1 SER 75 HA 0.18 0.47 0.90 -0.75 4.49 5.28 2cv4H1 SER 75 HB2 0.13 0.04 -0.13 -0.04 3.95 3.95 2cv4H1 SER 75 HB3 0.34 0.03 -0.01 -0.04 3.93 4.24 2cv4H1 VAL 76 H 0.14 0.31 0.17 -0.55 8.24 8.31 2cv4H1 VAL 76 HA 0.08 0.17 0.53 -0.75 4.13 4.15 2cv4H1 VAL 76 HB 0.11 0.06 0.15 -0.04 2.12 2.40 2cv4H1 VAL 76 HG13 0.02 -0.01 0.08 -0.04 0.97 1.02 2cv4H1 VAL 76 HG23 0.09 0.01 0.17 -0.04 0.95 1.18 2cv4H1 ASP 77 H 0.15 -0.03 -0.15 -0.55 8.40 7.83 2cv4H1 ASP 77 HA 0.03 0.18 0.57 -0.75 4.63 4.65 2cv4H1 ASP 77 HB2 0.14 -0.03 0.06 -0.04 2.71 2.84 2cv4H1 ASP 77 HB3 0.05 -0.06 0.12 -0.04 2.70 2.76 2cv4H1 SER 78 H -0.03 0.08 0.17 -0.55 8.46 8.13 2cv4H1 SER 78 HA -0.17 0.21 0.56 -0.75 4.49 4.33 2cv4H1 SER 78 HB2 0.05 -0.00 0.19 -0.04 3.95 4.14 2cv4H1 SER 78 HB3 0.06 0.15 0.16 -0.04 3.93 4.26 2cv4H1 VAL 79 H -0.40 0.23 0.16 -0.55 8.24 7.68 2cv4H1 VAL 79 HA -0.38 0.13 0.37 -0.75 4.13 3.50 2cv4H1 VAL 79 HB -0.24 0.06 0.03 -0.04 2.12 1.92 2cv4H1 VAL 79 HG13 -0.17 0.03 -0.14 -0.04 0.97 0.65 2cv4H1 VAL 79 HG23 -0.80 0.02 -0.01 -0.04 0.95 0.12 2cv4H1 PHE 80 H -0.64 0.06 -0.17 -0.55 8.34 7.03 2cv4H1 PHE 80 HA 0.05 0.15 0.44 -0.75 4.62 4.50 2cv4H1 PHE 80 HB2 0.02 -0.05 0.07 -0.04 3.15 3.15 2cv4H1 PHE 80 HB3 0.03 0.09 0.03 -0.04 3.06 3.18 2cv4H1 PHE 80 HD2 0.01 0.01 0.04 -0.04 7.28 7.29 2cv4H1 PHE 80 HE2 -0.00 0.05 0.02 -0.04 7.38 7.41 2cv4H1 PHE 80 HZ -0.00 0.05 0.01 -0.04 7.32 7.35 2cv4H1 SER 81 H 0.12 0.05 -0.20 -0.55 8.46 7.88 2cv4H1 SER 81 HA 0.28 0.09 0.37 -0.75 4.49 4.47 2cv4H1 SER 81 HB2 0.09 0.03 0.08 -0.04 3.95 4.10 2cv4H1 SER 81 HB3 0.19 0.03 -0.04 -0.04 3.93 4.06 2cv4H1 HIS 82 H 0.07 0.44 -0.26 -0.55 8.41 8.12 2cv4H1 HIS 82 HA 0.18 0.00 0.38 -0.75 4.63 4.44 2cv4H1 HIS 82 HB2 -0.00 0.09 0.17 -0.04 3.26 3.48 2cv4H1 HIS 82 HB3 0.03 0.01 -0.03 -0.04 3.20 3.16 2cv4H1 HIS 82 HD2 -0.01 0.10 -0.26 -0.04 6.97 6.76 2cv4H1 HIS 82 HE1 0.04 -0.22 -0.16 -0.04 7.75 7.36 2cv4H1 ILE 83 H 0.13 0.60 -0.10 -0.55 8.25 8.33 2cv4H1 ILE 83 HA 0.08 0.06 0.46 -0.75 4.18 4.02 2cv4H1 ILE 83 HB 0.11 0.04 0.19 -0.04 1.89 2.20 2cv4H1 ILE 83 HG12 0.06 0.01 0.08 -0.04 1.49 1.60 2cv4H1 ILE 83 HG13 0.04 0.19 0.18 -0.04 1.21 1.58 2cv4H1 ILE 83 HG23 0.08 -0.00 -0.04 -0.04 0.93 0.93 2cv4H1 ILE 83 HD13 0.01 -0.02 0.02 -0.04 0.88 0.85 2cv4H1 LYS 84 H 0.22 0.62 0.02 -0.55 8.42 8.72 2cv4H1 LYS 84 HA 0.23 0.04 0.45 -0.75 4.32 4.28 2cv4H1 LYS 84 HB2 0.38 0.03 0.13 -0.04 1.87 2.36 2cv4H1 LYS 84 HB3 0.41 -0.01 -0.01 -0.04 1.79 2.14 2cv4H1 LYS 84 HG2 0.21 0.11 0.05 -0.04 1.46 1.79 2cv4H1 LYS 84 HG3 0.18 -0.04 -0.01 -0.04 1.46 1.54 2cv4H1 LYS 84 HD2 0.17 -0.01 0.02 -0.04 1.69 1.84 2cv4H1 LYS 84 HD3 0.14 -0.01 0.00 -0.04 1.68 1.77 2cv4H1 LYS 84 HE2 0.13 -0.00 0.00 -0.04 2.99 3.08 2cv4H1 LYS 84 HE3 0.24 -0.01 0.04 -0.04 2.99 3.23 2cv4H1 TRP 85 H 0.26 0.53 -0.28 -0.55 7.97 7.94 2cv4H1 TRP 85 HA -0.73 0.02 0.53 -0.75 4.62 3.69 2cv4H1 TRP 85 HB2 -0.92 0.01 0.14 -0.04 3.23 2.42 2cv4H1 TRP 85 HB3 -0.37 0.14 0.22 -0.04 3.23 3.18 2cv4H1 TRP 85 HD1 -0.96 0.03 0.15 -0.04 7.22 6.40 2cv4H1 TRP 85 HE1 -0.45 0.13 0.06 -0.04 10.20 9.89 2cv4H1 TRP 85 HE3 -0.50 0.03 0.00 -0.04 7.59 7.08 2cv4H1 TRP 85 HZ2 -0.33 0.31 0.12 -0.04 7.44 7.50 2cv4H1 TRP 85 HZ3 -0.85 -0.01 -0.10 -0.04 7.13 6.13 2cv4H1 TRP 85 HH2 -0.76 0.06 -0.07 -0.04 7.19 6.37 2cv4H1 LYS 86 H 0.02 0.67 0.05 -0.55 8.42 8.61 2cv4H1 LYS 86 HA -0.37 0.01 0.50 -0.75 4.32 3.71 2cv4H1 LYS 86 HB2 -0.04 0.10 0.24 -0.04 1.87 2.14 2cv4H1 LYS 86 HB3 -0.10 -0.01 0.05 -0.04 1.79 1.68 2cv4H1 LYS 86 HG2 -0.35 -0.06 0.08 -0.04 1.46 1.09 2cv4H1 LYS 86 HG3 -0.23 0.02 0.07 -0.04 1.46 1.28 2cv4H1 LYS 86 HD2 -0.06 -0.08 -0.05 -0.04 1.69 1.47 2cv4H1 LYS 86 HD3 -0.11 0.08 0.03 -0.04 1.68 1.63 2cv4H1 LYS 86 HE2 -0.32 0.06 -0.06 -0.04 2.99 2.63 2cv4H1 LYS 86 HE3 -0.21 -0.13 -0.08 -0.04 2.99 2.53 2cv4H1 GLU 87 H 0.10 0.51 -0.24 -0.55 8.60 8.43 2cv4H1 GLU 87 HA 0.04 0.02 0.44 -0.75 4.29 4.04 2cv4H1 GLU 87 HB2 0.09 -0.01 0.11 -0.04 2.09 2.24 2cv4H1 GLU 87 HB3 0.18 0.09 0.23 -0.04 1.99 2.46 2cv4H1 GLU 87 HG2 0.18 0.03 -0.26 -0.04 2.34 2.24 2cv4H1 GLU 87 HG3 0.08 -0.04 -0.01 -0.04 2.34 2.33 2cv4H1 TRP 88 H 0.39 0.47 -0.15 -0.55 7.97 8.14 2cv4H1 TRP 88 HA 0.25 0.01 0.44 -0.75 4.62 4.57 2cv4H1 TRP 88 HB2 0.33 0.06 0.18 -0.04 3.23 3.75 2cv4H1 TRP 88 HB3 0.19 0.10 0.21 -0.04 3.23 3.69 2cv4H1 TRP 88 HD1 0.10 -0.01 0.02 -0.04 7.22 7.30 2cv4H1 TRP 88 HE1 -0.45 0.00 -0.01 -0.04 10.20 9.70 2cv4H1 TRP 88 HE3 0.05 0.09 -0.39 -0.04 7.59 7.29 2cv4H1 TRP 88 HZ2 -0.17 0.01 -0.03 -0.04 7.44 7.21 2cv4H1 TRP 88 HZ3 0.07 0.02 -0.07 -0.04 7.13 7.11 2cv4H1 TRP 88 HH2 0.05 0.03 -0.06 -0.04 7.19 7.17 2cv4H1 ILE 89 H 0.26 0.53 -0.11 -0.55 8.25 8.37 2cv4H1 ILE 89 HA 0.25 -0.02 0.49 -0.75 4.18 4.15 2cv4H1 ILE 89 HB -0.15 0.12 0.21 -0.04 1.89 2.03 2cv4H1 ILE 89 HG12 0.20 -0.03 0.05 -0.04 1.49 1.67 2cv4H1 ILE 89 HG13 -0.01 0.13 0.13 -0.04 1.21 1.42 2cv4H1 ILE 89 HG23 -0.04 0.05 -0.07 -0.04 0.93 0.82 2cv4H1 ILE 89 HD13 -1.00 -0.03 0.00 -0.04 0.88 -0.19 2cv4H1 GLU 90 H -0.01 0.46 -0.18 -0.55 8.60 8.32 2cv4H1 GLU 90 HA -0.07 0.10 0.20 -0.75 4.29 3.77 2cv4H1 GLU 90 HB2 -0.05 0.03 0.12 -0.04 2.09 2.15 2cv4H1 GLU 90 HB3 -0.03 0.09 0.14 -0.04 1.99 2.15 2cv4H1 GLU 90 HG2 -0.05 0.00 -0.20 -0.04 2.34 2.05 2cv4H1 GLU 90 HG3 -0.05 -0.05 -0.20 -0.04 2.34 2.00 2cv4H1 ARG 91 H -0.09 0.50 -0.14 -0.55 8.46 8.18 2cv4H1 ARG 91 HA -0.18 0.10 0.56 -0.75 4.34 4.07 2cv4H1 ARG 91 HB2 -0.11 -0.04 0.07 -0.04 1.90 1.78 2cv4H1 ARG 91 HB3 -0.18 0.05 0.15 -0.04 1.80 1.77 2cv4H1 ARG 91 HG2 -0.67 0.01 -0.16 -0.04 1.67 0.81 2cv4H1 ARG 91 HG3 -0.26 -0.02 0.06 -0.04 1.67 1.41 2cv4H1 ARG 91 HD2 -0.08 -0.02 -0.02 -0.04 3.22 3.05 2cv4H1 ARG 91 HD3 -0.13 -0.04 -0.01 -0.04 3.22 3.00 2cv4H1 HIS 92 H -0.43 0.64 0.03 -0.55 8.41 8.11 2cv4H1 HIS 92 HA -0.36 0.17 0.86 -0.75 4.63 4.55 2cv4H1 HIS 92 HB2 -1.92 0.06 0.12 -0.04 3.26 1.48 2cv4H1 HIS 92 HB3 -0.73 -0.04 0.05 -0.04 3.20 2.44 2cv4H1 HIS 92 HD2 -0.20 -0.01 0.01 -0.04 6.97 6.72 2cv4H1 HIS 92 HE1 -0.22 -0.04 -0.01 -0.04 7.75 7.44 2cv4H1 ILE 93 H -0.19 0.51 0.10 -0.55 8.25 8.12 2cv4H1 ILE 93 HA -0.05 0.15 0.84 -0.75 4.18 4.37 2cv4H1 ILE 93 HB 0.00 0.12 0.13 -0.04 1.89 2.10 2cv4H1 ILE 93 HG12 0.05 0.05 -0.18 -0.04 1.49 1.37 2cv4H1 ILE 93 HG13 -0.03 -0.04 -0.01 -0.04 1.21 1.09 2cv4H1 ILE 93 HG23 0.04 -0.03 0.06 -0.04 0.93 0.96 2cv4H1 ILE 93 HD13 0.25 -0.01 -0.02 -0.04 0.88 1.05 2cv4H1 GLY 94 H -0.13 0.15 -0.33 -0.55 8.43 7.58 2cv4H1 GLY 94 HA2 -0.08 0.22 0.33 -0.51 4.01 3.97 2cv4H1 GLY 94 HA3 -0.06 -0.00 0.35 -0.51 4.01 3.79 2cv4H1 VAL 95 H -0.04 0.22 -0.28 -0.55 8.24 7.59 2cv4H1 VAL 95 HA -0.02 0.15 0.93 -0.75 4.13 4.44 2cv4H1 VAL 95 HB 0.00 0.06 -0.06 -0.04 2.12 2.08 2cv4H1 VAL 95 HG13 0.00 0.01 -0.12 -0.04 0.97 0.82 2cv4H1 VAL 95 HG23 -0.00 -0.02 -0.21 -0.04 0.95 0.68 2cv4H1 ARG 96 H -0.04 0.18 0.08 -0.55 8.46 8.13 2cv4H1 ARG 96 HA -0.09 0.10 0.74 -0.75 4.34 4.35 2cv4H1 ARG 96 HB2 -0.05 0.01 -0.02 -0.04 1.90 1.80 2cv4H1 ARG 96 HB3 -0.05 -0.00 0.08 -0.04 1.80 1.79 2cv4H1 ARG 96 HG2 -0.09 -0.02 -0.47 -0.04 1.67 1.05 2cv4H1 ARG 96 HG3 -0.08 0.04 -0.15 -0.04 1.67 1.43 2cv4H1 ARG 96 HD2 -0.04 -0.02 -0.06 -0.04 3.22 3.06 2cv4H1 ARG 96 HD3 -0.05 0.02 -0.10 -0.04 3.22 3.05 2cv4H1 ILE 97 H -0.18 0.16 0.10 -0.55 8.25 7.79 2cv4H1 ILE 97 HA -0.33 0.12 0.59 -0.75 4.18 3.81 2cv4H1 ILE 97 HB -0.32 -0.04 0.18 -0.04 1.89 1.67 2cv4H1 ILE 97 HG12 -0.24 -0.06 -0.05 -0.04 1.49 1.11 2cv4H1 ILE 97 HG13 -0.18 0.06 -0.10 -0.04 1.21 0.94 2cv4H1 ILE 97 HG23 -0.94 0.02 -0.14 -0.04 0.93 -0.17 2cv4H1 ILE 97 HD13 -0.14 0.01 -0.30 -0.04 0.88 0.41 2cv4H1 PRO 98 HA -0.16 0.14 0.62 -0.51 4.44 4.53 2cv4H1 PRO 98 HB2 -0.39 0.01 0.02 -0.04 2.28 1.88 2cv4H1 PRO 98 HB3 -0.21 0.02 0.01 -0.04 2.02 1.80 2cv4H1 PRO 98 HG2 -0.90 0.01 -0.00 -0.04 2.03 1.09 2cv4H1 PRO 98 HG3 -0.57 0.04 0.09 -0.04 2.03 1.55 2cv4H1 PRO 98 HD2 -0.42 -0.00 0.24 -0.04 3.68 3.46 2cv4H1 PRO 98 HD3 -0.20 0.43 0.35 -0.04 3.65 4.19 2cv4H1 PHE 99 H -1.03 0.02 -0.10 -0.55 8.34 6.69 2cv4H1 PHE 99 HA -0.05 0.21 0.79 -0.75 4.62 4.82 2cv4H1 PHE 99 HB2 -0.11 0.22 -0.06 -0.04 3.15 3.16 2cv4H1 PHE 99 HB3 -0.06 -0.04 0.04 -0.04 3.06 2.96 2cv4H1 PHE 99 HD2 -0.20 0.09 -0.17 -0.04 7.28 6.96 2cv4H1 PHE 99 HE2 -0.20 -0.02 -0.16 -0.04 7.38 6.95 2cv4H1 PHE 99 HZ -0.25 0.01 -0.01 -0.04 7.32 7.03 2cv4H1 PRO 100 HA -0.66 0.11 0.56 -0.51 4.44 3.94 2cv4H1 PRO 100 HB2 -0.26 -0.09 -0.05 -0.04 2.28 1.84 2cv4H1 PRO 100 HB3 -0.88 0.06 0.00 -0.04 2.02 1.16 2cv4H1 PRO 100 HG2 -0.08 -0.02 0.05 -0.04 2.03 1.94 2cv4H1 PRO 100 HG3 -0.04 0.07 0.01 -0.04 2.03 2.03 2cv4H1 PRO 100 HD2 0.11 0.38 0.33 -0.04 3.68 4.46 2cv4H1 PRO 100 HD3 0.05 0.17 0.18 -0.04 3.65 4.01 2cv4H1 ILE 101 H -0.13 0.00 0.16 -0.55 8.25 7.73 2cv4H1 ILE 101 HA -0.07 0.17 0.92 -0.75 4.18 4.45 2cv4H1 ILE 101 HB -0.13 -0.10 0.01 -0.04 1.89 1.64 2cv4H1 ILE 101 HG12 0.20 0.07 -0.24 -0.04 1.49 1.48 2cv4H1 ILE 101 HG13 -0.07 0.02 -0.39 -0.04 1.21 0.72 2cv4H1 ILE 101 HG23 -0.28 0.04 -0.25 -0.04 0.93 0.39 2cv4H1 ILE 101 HD13 -0.17 -0.00 -0.08 -0.04 0.88 0.58 2cv4H1 ILE 102 H -0.03 0.74 -0.05 -0.55 8.25 8.37 2cv4H1 ILE 102 HA 0.03 0.11 0.60 -0.75 4.18 4.17 2cv4H1 ILE 102 HB 0.02 -0.03 0.25 -0.04 1.89 2.10 2cv4H1 ILE 102 HG12 -0.03 -0.05 -0.13 -0.04 1.49 1.24 2cv4H1 ILE 102 HG13 -0.06 0.06 -0.03 -0.04 1.21 1.14 2cv4H1 ILE 102 HG23 0.03 -0.01 -0.16 -0.04 0.93 0.75 2cv4H1 ILE 102 HD13 -0.02 0.00 -0.11 -0.04 0.88 0.71 2cv4H1 ALA 103 H 0.03 0.68 0.42 -0.55 8.40 8.98 2cv4H1 ALA 103 HA 0.02 0.21 0.71 -0.75 4.34 4.53 2cv4H1 ALA 103 HB3 -0.20 -0.06 0.05 -0.04 1.41 1.16 2cv4H1 ASP 104 H 0.05 0.46 0.06 -0.55 8.40 8.43 2cv4H1 ASP 104 HA 0.01 0.12 0.89 -0.75 4.63 4.90 2cv4H1 ASP 104 HB2 0.06 0.10 -0.18 -0.04 2.71 2.64 2cv4H1 ASP 104 HB3 0.06 0.10 0.14 -0.04 2.70 2.96 2cv4H1 PRO 105 HA 0.01 0.41 0.45 -0.51 4.44 4.81 2cv4H1 PRO 105 HB2 0.01 0.03 -0.01 -0.04 2.28 2.26 2cv4H1 PRO 105 HB3 0.01 -0.01 0.10 -0.04 2.02 2.07 2cv4H1 PRO 105 HG2 -0.01 0.02 0.02 -0.04 2.03 2.02 2cv4H1 PRO 105 HG3 -0.04 -0.04 -0.10 -0.04 2.03 1.81 2cv4H1 PRO 105 HD2 -0.01 0.07 0.05 -0.04 3.68 3.76 2cv4H1 PRO 105 HD3 -0.03 0.19 -0.62 -0.04 3.65 3.15 2cv4H1 GLN 106 H 0.01 -0.05 -0.41 -0.55 8.47 7.47 2cv4H1 GLN 106 HA 0.00 0.40 1.26 -0.75 4.36 5.27 2cv4H1 GLN 106 HB2 0.01 -0.07 0.06 -0.04 2.15 2.10 2cv4H1 GLN 106 HB3 0.00 0.03 0.11 -0.04 2.02 2.13 2cv4H1 GLN 106 HG2 0.01 -0.02 -0.26 -0.04 2.40 2.09 2cv4H1 GLN 106 HG3 0.00 0.00 -0.01 -0.04 2.39 2.34 2cv4H1 GLN 106 HE21 -0.00 0.01 0.04 -0.04 6.97 6.97 2cv4H1 GLN 106 HE22 0.00 -0.03 -0.01 -0.04 7.69 7.62 2cv4H1 GLY 107 H 0.02 0.41 0.02 -0.55 8.43 8.33 2cv4H1 GLY 107 HA2 0.03 -0.00 0.32 -0.51 4.01 3.85 2cv4H1 GLY 107 HA3 0.01 0.24 0.56 -0.51 4.01 4.32 2cv4H1 THR 108 H 0.01 0.00 -0.36 -0.55 8.28 7.39 2cv4H1 THR 108 HA 0.01 0.15 0.33 -0.75 4.39 4.13 2cv4H1 THR 108 HB 0.01 -0.09 0.12 -0.04 4.32 4.32 2cv4H1 THR 108 HG23 0.00 0.04 -0.07 -0.04 1.22 1.15 2cv4H1 VAL 109 H 0.02 0.04 -0.10 -0.55 8.24 7.65 2cv4H1 VAL 109 HA 0.00 0.17 0.29 -0.75 4.13 3.85 2cv4H1 VAL 109 HB 0.04 -0.07 -0.01 -0.04 2.12 2.04 2cv4H1 VAL 109 HG13 0.04 0.04 -0.17 -0.04 0.97 0.84 2cv4H1 VAL 109 HG23 0.02 0.01 0.03 -0.04 0.95 0.96 2cv4H1 ALA 110 H 0.04 -0.04 -0.32 -0.55 8.40 7.53 2cv4H1 ALA 110 HA 0.08 0.09 0.23 -0.75 4.34 3.99 2cv4H1 ALA 110 HB3 0.06 0.02 -0.05 -0.04 1.41 1.40 2cv4H1 ARG 111 H 0.03 0.87 -0.20 -0.55 8.46 8.61 2cv4H1 ARG 111 HA 0.04 -0.02 0.43 -0.75 4.34 4.04 2cv4H1 ARG 111 HB2 0.01 0.17 0.19 -0.04 1.90 2.23 2cv4H1 ARG 111 HB3 0.01 -0.01 -0.01 -0.04 1.80 1.75 2cv4H1 ARG 111 HG2 0.02 -0.00 0.03 -0.04 1.67 1.67 2cv4H1 ARG 111 HG3 0.03 -0.08 0.01 -0.04 1.67 1.58 2cv4H1 ARG 111 HD2 0.01 0.02 -0.14 -0.04 3.22 3.06 2cv4H1 ARG 111 HD3 0.01 -0.03 -0.02 -0.04 3.22 3.13 2cv4H1 ARG 112 H 0.00 0.73 0.01 -0.55 8.46 8.66 2cv4H1 ARG 112 HA -0.02 -0.01 0.34 -0.75 4.34 3.90 2cv4H1 ARG 112 HB2 -0.02 -0.06 0.10 -0.04 1.90 1.88 2cv4H1 ARG 112 HB3 -0.03 0.05 0.10 -0.04 1.80 1.87 2cv4H1 ARG 112 HG2 -0.06 0.00 -0.05 -0.04 1.67 1.52 2cv4H1 ARG 112 HG3 -0.11 0.03 -0.16 -0.04 1.67 1.38 2cv4H1 ARG 112 HD2 -0.05 0.02 0.13 -0.04 3.22 3.27 2cv4H1 ARG 112 HD3 -0.03 -0.05 0.03 -0.04 3.22 3.13 2cv4H1 LEU 113 H 0.01 0.33 -0.57 -0.55 8.37 7.60 2cv4H1 LEU 113 HA -0.07 0.16 0.81 -0.75 4.35 4.49 2cv4H1 LEU 113 HB2 0.06 -0.04 -0.00 -0.04 1.64 1.63 2cv4H1 LEU 113 HB3 0.02 -0.03 0.08 -0.04 1.64 1.67 2cv4H1 LEU 113 HG -0.13 0.03 -0.14 -0.04 1.64 1.36 2cv4H1 LEU 113 HD13 -0.06 -0.04 -0.15 -0.04 0.93 0.64 2cv4H1 LEU 113 HD23 -0.72 0.02 -0.07 -0.04 0.89 0.08 2cv4H1 GLY 114 H 0.06 0.59 -0.30 -0.55 8.43 8.24 2cv4H1 GLY 114 HA2 0.08 -0.01 0.39 -0.51 4.01 3.96 2cv4H1 GLY 114 HA3 0.11 0.17 0.52 -0.51 4.01 4.30 2cv4H1 LEU 115 H 0.14 0.78 -0.09 -0.55 8.37 8.65 2cv4H1 LEU 115 HA 0.19 0.17 0.50 -0.75 4.35 4.46 2cv4H1 LEU 115 HB2 0.14 -0.07 0.05 -0.04 1.64 1.72 2cv4H1 LEU 115 HB3 0.13 -0.15 0.15 -0.04 1.64 1.73 2cv4H1 LEU 115 HG 0.37 0.19 -0.21 -0.04 1.64 1.95 2cv4H1 LEU 115 HD13 0.25 -0.02 -0.12 -0.04 0.93 1.00 2cv4H1 LEU 115 HD23 0.33 0.01 -0.08 -0.04 0.89 1.10 2cv4H1 LEU 116 H 0.13 0.21 -0.56 -0.55 8.37 7.60 2cv4H1 LEU 116 HA 0.08 0.12 0.84 -0.75 4.35 4.64 2cv4H1 LEU 116 HB2 0.06 -0.07 -0.09 -0.04 1.64 1.51 2cv4H1 LEU 116 HB3 0.05 0.05 0.11 -0.04 1.64 1.82 2cv4H1 LEU 116 HG 0.03 0.13 -0.12 -0.04 1.64 1.64 2cv4H1 LEU 116 HD13 0.03 -0.03 -0.18 -0.04 0.93 0.71 2cv4H1 LEU 116 HD23 0.02 -0.01 -0.07 -0.04 0.89 0.79 2cv4H1 HIS 117 H 0.13 0.13 -0.09 -0.55 8.41 8.04 2cv4H1 HIS 117 HA -0.02 0.20 0.48 -0.75 4.63 4.53 2cv4H1 HIS 117 HB2 0.02 0.00 0.04 -0.04 3.26 3.28 2cv4H1 HIS 117 HB3 -0.02 -0.17 0.13 -0.04 3.20 3.09 2cv4H1 HIS 117 HD2 -0.03 -0.02 -0.43 -0.04 6.97 6.44 2cv4H1 HIS 117 HE1 -0.67 0.01 -0.04 -0.04 7.75 7.01 2cv4H1 ALA 118 H 0.07 0.16 0.05 -0.55 8.40 8.13 2cv4H1 ALA 118 HA 0.04 0.22 0.74 -0.75 4.34 4.58 2cv4H1 ALA 118 HB3 0.00 0.02 0.09 -0.04 1.41 1.48 2cv4H1 GLU 119 H 0.08 0.21 -0.34 -0.55 8.60 8.01 2cv4H1 GLU 119 HA 0.04 0.15 0.71 -0.75 4.29 4.44 2cv4H1 GLU 119 HB2 0.08 -0.07 0.01 -0.04 2.09 2.07 2cv4H1 GLU 119 HB3 0.06 0.09 -0.03 -0.04 1.99 2.07 2cv4H1 GLU 119 HG2 0.04 0.01 0.15 -0.04 2.34 2.50 2cv4H1 GLU 119 HG3 0.04 -0.01 0.03 -0.04 2.34 2.36 2cv4H1 SER 120 H 0.05 0.08 -0.39 -0.55 8.46 7.66 2cv4H1 SER 120 HA 0.04 -0.05 0.27 -0.75 4.49 4.00 2cv4H1 SER 120 HB2 0.08 -0.00 -0.22 -0.04 3.95 3.77 2cv4H1 SER 120 HB3 0.08 0.14 0.08 -0.04 3.93 4.19 2cv4H1 ALA 121 H 0.01 0.14 0.01 -0.55 8.40 8.01 2cv4H1 ALA 121 HA 0.01 0.16 0.42 -0.75 4.34 4.17 2cv4H1 ALA 121 HB3 -0.01 -0.01 0.13 -0.04 1.41 1.49 2cv4H1 THR 122 H -0.01 0.83 -1.24 -0.55 8.28 7.31 2cv4H1 THR 122 HA -0.14 -0.01 0.27 -0.75 4.39 3.75 2cv4H1 THR 122 HB -0.34 -0.02 0.12 -0.04 4.32 4.04 2cv4H1 THR 122 HG23 -0.08 0.12 -0.49 -0.04 1.22 0.73 2cv4H1 HIS 123 H -0.24 0.05 0.06 -0.55 8.41 7.73 2cv4H1 HIS 123 HA 0.03 0.18 0.61 -0.75 4.63 4.69 2cv4H1 HIS 123 HB2 0.02 0.28 0.14 -0.04 3.26 3.67 2cv4H1 HIS 123 HB3 0.03 -0.16 0.09 -0.04 3.20 3.11 2cv4H1 HIS 123 HD2 0.00 0.19 0.12 -0.04 6.97 7.24 2cv4H1 HIS 123 HE1 -0.01 -0.01 -0.07 -0.04 7.75 7.62 2cv4H1 THR 124 H 0.10 -0.04 0.11 -0.55 8.28 7.90 2cv4H1 THR 124 HA 0.06 0.08 0.37 -0.75 4.39 4.15 2cv4H1 THR 124 HB 0.10 0.04 -0.17 -0.04 4.32 4.26 2cv4H1 THR 124 HG23 0.09 0.12 0.01 -0.04 1.22 1.39 2cv4H1 VAL 125 H 0.01 0.48 0.27 -0.55 8.24 8.45 2cv4H1 VAL 125 HA -0.00 0.10 0.49 -0.75 4.13 3.97 2cv4H1 VAL 125 HB -0.15 -0.00 0.02 -0.04 2.12 1.95 2cv4H1 VAL 125 HG13 -0.25 0.02 -0.03 -0.04 0.97 0.66 2cv4H1 VAL 125 HG23 -0.40 0.12 0.05 -0.04 0.95 0.68 2cv4H1 ARG 126 H 0.03 0.21 0.11 -0.55 8.46 8.26 2cv4H1 ARG 126 HA -0.04 0.26 0.59 -0.75 4.34 4.40 2cv4H1 ARG 126 HB2 0.10 0.39 0.21 -0.04 1.90 2.56 2cv4H1 ARG 126 HB3 0.06 -0.13 0.21 -0.04 1.80 1.90 2cv4H1 ARG 126 HG2 0.02 -0.04 0.01 -0.04 1.67 1.62 2cv4H1 ARG 126 HG3 0.08 0.03 -0.05 -0.04 1.67 1.68 2cv4H1 ARG 126 HD2 0.11 0.33 -0.02 -0.04 3.22 3.60 2cv4H1 ARG 126 HD3 0.01 -0.10 0.03 -0.04 3.22 3.12 2cv4H1 GLY 127 H 0.02 0.34 -0.23 -0.55 8.43 8.01 2cv4H1 GLY 127 HA2 -0.30 0.36 0.92 -0.51 4.01 4.48 2cv4H1 GLY 127 HA3 -0.10 -0.03 0.25 -0.51 4.01 3.62 2cv4H1 VAL 128 H -0.49 0.72 0.42 -0.55 8.24 8.34 2cv4H1 VAL 128 HA 0.04 0.28 1.20 -0.75 4.13 4.89 2cv4H1 VAL 128 HB -0.14 0.05 0.13 -0.04 2.12 2.11 2cv4H1 VAL 128 HG13 0.00 -0.04 -0.26 -0.04 0.97 0.64 2cv4H1 VAL 128 HG23 -0.03 -0.03 -0.19 -0.04 0.95 0.65 2cv4H1 PHE 129 H 0.23 0.71 0.37 -0.55 8.34 9.10 2cv4H1 PHE 129 HA -0.03 0.33 1.15 -0.75 4.62 5.32 2cv4H1 PHE 129 HB2 0.07 -0.10 0.13 -0.04 3.15 3.21 2cv4H1 PHE 129 HB3 0.06 -0.03 -0.07 -0.04 3.06 2.97 2cv4H1 PHE 129 HD2 0.10 0.00 -0.13 -0.04 7.28 7.21 2cv4H1 PHE 129 HE2 0.10 -0.02 -0.13 -0.04 7.38 7.29 2cv4H1 PHE 129 HZ 0.15 0.24 -0.03 -0.04 7.32 7.63 2cv4H1 ILE 130 H 0.05 0.67 0.24 -0.55 8.25 8.66 2cv4H1 ILE 130 HA -0.04 0.21 0.99 -0.75 4.18 4.59 2cv4H1 ILE 130 HB 0.07 -0.10 0.15 -0.04 1.89 1.97 2cv4H1 ILE 130 HG12 0.04 0.03 -0.20 -0.04 1.49 1.32 2cv4H1 ILE 130 HG13 0.01 0.07 -0.25 -0.04 1.21 1.01 2cv4H1 ILE 130 HG23 0.22 0.01 -0.14 -0.04 0.93 0.98 2cv4H1 ILE 130 HD13 0.05 -0.01 -0.08 -0.04 0.88 0.80 2cv4H1 VAL 131 H -0.40 0.70 0.32 -0.55 8.24 8.31 2cv4H1 VAL 131 HA -0.31 0.25 0.87 -0.75 4.13 4.18 2cv4H1 VAL 131 HB -1.78 -0.02 0.08 -0.04 2.12 0.36 2cv4H1 VAL 131 HG13 -0.29 0.02 -0.36 -0.04 0.97 0.30 2cv4H1 VAL 131 HG23 -0.58 0.00 -0.27 -0.04 0.95 0.05 2cv4H1 ASP 132 H -0.56 0.60 0.23 -0.55 8.40 8.11 2cv4H1 ASP 132 HA -2.36 0.18 0.58 -0.75 4.63 2.28 2cv4H1 ASP 132 HB2 -1.88 0.00 0.14 -0.04 2.71 0.93 2cv4H1 ASP 132 HB3 -1.44 0.09 0.07 -0.04 2.70 1.38 2cv4H1 ALA 133 H -1.10 0.19 0.07 -0.55 8.40 7.01 2cv4H1 ALA 133 HA -0.10 0.35 0.18 -0.75 4.34 4.01 2cv4H1 ALA 133 HB3 0.06 0.03 -0.08 -0.04 1.41 1.39 2cv4H1 ARG 134 H -0.28 0.00 -0.48 -0.55 8.46 7.15 2cv4H1 ARG 134 HA -0.05 0.32 1.07 -0.75 4.34 4.94 2cv4H1 ARG 134 HB2 -0.04 0.01 0.17 -0.04 1.90 1.99 2cv4H1 ARG 134 HB3 -0.05 0.05 0.00 -0.04 1.80 1.76 2cv4H1 ARG 134 HG2 -0.15 -0.05 -0.03 -0.04 1.67 1.39 2cv4H1 ARG 134 HG3 -0.11 -0.05 -0.09 -0.04 1.67 1.37 2cv4H1 ARG 134 HD2 -0.04 0.01 0.00 -0.04 3.22 3.16 2cv4H1 ARG 134 HD3 -0.04 0.03 -0.02 -0.04 3.22 3.14 2cv4H1 GLY 135 H -0.12 0.55 -0.31 -0.55 8.43 8.00 2cv4H1 GLY 135 HA2 0.02 0.05 0.25 -0.51 4.01 3.81 2cv4H1 GLY 135 HA3 0.03 0.04 0.31 -0.51 4.01 3.89 2cv4H1 VAL 136 H -0.18 -0.01 -0.40 -0.55 8.24 7.10 2cv4H1 VAL 136 HA -0.02 0.20 0.71 -0.75 4.13 4.26 2cv4H1 VAL 136 HB -0.16 -0.13 -0.04 -0.04 2.12 1.75 2cv4H1 VAL 136 HG13 -0.05 0.06 -0.31 -0.04 0.97 0.64 2cv4H1 VAL 136 HG23 -0.05 0.04 -0.18 -0.04 0.95 0.72 2cv4H1 ILE 137 H 0.03 0.59 0.21 -0.55 8.25 8.52 2cv4H1 ILE 137 HA 0.00 0.08 0.50 -0.75 4.18 4.01 2cv4H1 ILE 137 HB 0.09 0.05 0.14 -0.04 1.89 2.12 2cv4H1 ILE 137 HG12 0.30 -0.03 -0.08 -0.04 1.49 1.63 2cv4H1 ILE 137 HG13 0.17 0.03 -0.04 -0.04 1.21 1.32 2cv4H1 ILE 137 HG23 0.20 -0.02 -0.21 -0.04 0.93 0.86 2cv4H1 ILE 137 HD13 0.16 0.01 -0.13 -0.04 0.88 0.88 2cv4H1 ARG 138 H -0.02 0.98 0.53 -0.55 8.46 9.41 2cv4H1 ARG 138 HA 0.00 0.17 1.04 -0.75 4.34 4.80 2cv4H1 ARG 138 HB2 0.07 0.04 0.00 -0.04 1.90 1.97 2cv4H1 ARG 138 HB3 0.07 -0.02 0.05 -0.04 1.80 1.85 2cv4H1 ARG 138 HG2 -0.26 0.12 -0.07 -0.04 1.67 1.42 2cv4H1 ARG 138 HG3 -0.23 -0.04 -0.06 -0.04 1.67 1.29 2cv4H1 ARG 138 HD2 -0.06 0.08 -0.20 -0.04 3.22 3.00 2cv4H1 ARG 138 HD3 -0.17 -0.07 -0.13 -0.04 3.22 2.81 2cv4H1 THR 139 H 0.04 0.31 0.19 -0.55 8.28 8.27 2cv4H1 THR 139 HA 0.02 0.16 0.44 -0.75 4.39 4.26 2cv4H1 THR 139 HB 0.05 -0.07 -0.04 -0.04 4.32 4.22 2cv4H1 THR 139 HG23 0.02 0.02 0.02 -0.04 1.22 1.23 2cv4H1 LEU 141 HA -0.04 -0.08 0.28 -0.75 4.35 3.76 2cv4H1 LEU 141 HB2 -0.07 -0.03 0.05 -0.04 1.64 1.55 2cv4H1 LEU 141 HB3 0.22 -0.02 -0.02 -0.04 1.64 1.78 2cv4H1 LEU 141 HG -0.05 0.00 -0.11 -0.04 1.64 1.45 2cv4H1 LEU 141 HD13 0.00 -0.01 -0.09 -0.04 0.93 0.79 2cv4H1 LEU 141 HD23 0.06 0.00 0.03 -0.04 0.89 0.94 2cv4H1 TYR 142 H 0.14 0.12 0.03 -0.55 8.29 8.03 2cv4H1 TYR 142 HA 0.04 0.33 1.01 -0.75 4.56 5.18 2cv4H1 TYR 142 HB2 0.06 -0.07 0.16 -0.04 3.06 3.17 2cv4H1 TYR 142 HB3 0.04 -0.02 0.02 -0.04 2.98 2.99 2cv4H1 TYR 142 HD2 -0.07 -0.07 -0.09 -0.04 7.15 6.87 2cv4H1 TYR 142 HE2 -0.04 -0.02 -0.09 -0.04 6.85 6.66 2cv4H1 TYR 143 H 0.30 0.43 0.14 -0.55 8.29 8.62 2cv4H1 TYR 143 HA 0.04 0.07 0.65 -0.75 4.56 4.56 2cv4H1 TYR 143 HB2 0.00 0.01 0.14 -0.04 3.06 3.17 2cv4H1 TYR 143 HB3 0.02 0.29 0.09 -0.04 2.98 3.34 2cv4H1 TYR 143 HD2 -0.01 0.08 -0.24 -0.04 7.15 6.95 2cv4H1 TYR 143 HE2 -0.01 0.02 -0.05 -0.04 6.85 6.76 2cv4H1 PRO 144 HA 0.08 0.14 0.54 -0.51 4.44 4.69 2cv4H1 PRO 144 HB2 0.05 0.09 0.08 -0.04 2.28 2.45 2cv4H1 PRO 144 HB3 0.04 0.02 0.05 -0.04 2.02 2.09 2cv4H1 PRO 144 HG2 0.06 -0.01 -0.06 -0.04 2.03 1.98 2cv4H1 PRO 144 HG3 0.00 0.02 0.00 -0.04 2.03 2.02 2cv4H1 PRO 144 HD2 -0.06 0.09 0.21 -0.04 3.68 3.87 2cv4H1 PRO 144 HD3 -0.04 0.16 0.10 -0.04 3.65 3.82 2cv4H1 GLU 146 HA 0.05 -0.08 0.30 -0.75 4.29 3.81 2cv4H1 GLU 146 HB2 0.04 -0.02 0.16 -0.04 2.09 2.22 2cv4H1 GLU 146 HB3 0.04 -0.01 0.14 -0.04 1.99 2.11 2cv4H1 GLU 146 HG2 0.04 0.05 -0.32 -0.04 2.34 2.07 2cv4H1 GLU 146 HG3 0.03 -0.01 -0.02 -0.04 2.34 2.30 2cv4H1 LEU 147 H 0.10 0.61 -0.52 -0.55 8.37 8.00 2cv4H1 LEU 147 HA 0.09 0.09 1.02 -0.75 4.35 4.79 2cv4H1 LEU 147 HB2 0.06 -0.04 -0.25 -0.04 1.64 1.37 2cv4H1 LEU 147 HB3 0.11 0.01 0.06 -0.04 1.64 1.77 2cv4H1 LEU 147 HG 0.02 -0.06 -0.04 -0.04 1.64 1.52 2cv4H1 LEU 147 HD13 0.26 0.06 -0.26 -0.04 0.93 0.94 2cv4H1 LEU 147 HD23 0.07 -0.01 0.02 -0.04 0.89 0.92 2cv4H1 GLY 148 H 0.09 0.10 0.12 -0.55 8.43 8.20 2cv4H1 GLY 148 HA2 0.08 0.00 0.47 -0.51 4.01 4.05 2cv4H1 GLY 148 HA3 0.06 0.02 0.37 -0.51 4.01 3.95 2cv4H1 ARG 149 H -0.09 0.04 0.17 -0.55 8.46 8.03 2cv4H1 ARG 149 HA -0.59 0.12 0.45 -0.75 4.34 3.56 2cv4H1 ARG 149 HB2 -0.27 -0.05 0.04 -0.04 1.90 1.58 2cv4H1 ARG 149 HB3 -0.47 -0.04 -0.03 -0.04 1.80 1.22 2cv4H1 ARG 149 HG2 -1.31 0.02 0.00 -0.04 1.67 0.34 2cv4H1 ARG 149 HG3 -0.35 0.05 0.06 -0.04 1.67 1.39 2cv4H1 ARG 149 HD2 -0.19 -0.05 -0.09 -0.04 3.22 2.85 2cv4H1 ARG 149 HD3 -0.25 0.10 -0.11 -0.04 3.22 2.92 2cv4H1 LEU 150 H -0.22 0.18 0.05 -0.55 8.37 7.83 2cv4H1 LEU 150 HA -0.08 0.20 0.72 -0.75 4.35 4.44 2cv4H1 LEU 150 HB2 0.04 0.13 0.05 -0.04 1.64 1.82 2cv4H1 LEU 150 HB3 0.01 -0.05 0.20 -0.04 1.64 1.76 2cv4H1 LEU 150 HG -0.04 -0.22 -0.07 -0.04 1.64 1.26 2cv4H1 LEU 150 HD13 -0.01 0.05 0.03 -0.04 0.93 0.95 2cv4H1 LEU 150 HD23 0.02 0.02 -0.01 -0.04 0.89 0.88 2cv4H1 VAL 151 H -0.24 0.30 -0.08 -0.55 8.24 7.68 2cv4H1 VAL 151 HA -0.35 0.04 0.20 -0.75 4.13 3.27 2cv4H1 VAL 151 HB -0.28 0.06 -0.02 -0.04 2.12 1.84 2cv4H1 VAL 151 HG13 -0.44 0.02 -0.14 -0.04 0.97 0.37 2cv4H1 VAL 151 HG23 -0.74 0.02 -0.09 -0.04 0.95 0.10 2cv4H1 ASP 152 H -0.13 0.14 -0.23 -0.55 8.40 7.64 2cv4H1 ASP 152 HA -0.21 0.05 0.38 -0.75 4.63 4.09 2cv4H1 ASP 152 HB2 -0.04 -0.01 0.00 -0.04 2.71 2.62 2cv4H1 ASP 152 HB3 -0.00 0.07 -0.09 -0.04 2.70 2.63 2cv4H1 GLU 153 H -0.07 0.36 -0.28 -0.55 8.60 8.06 2cv4H1 GLU 153 HA -0.00 0.08 0.48 -0.75 4.29 4.09 2cv4H1 GLU 153 HB2 0.01 -0.00 0.08 -0.04 2.09 2.14 2cv4H1 GLU 153 HB3 -0.01 0.13 0.11 -0.04 1.99 2.18 2cv4H1 GLU 153 HG2 0.05 0.01 -0.02 -0.04 2.34 2.34 2cv4H1 GLU 153 HG3 0.02 0.00 -0.25 -0.04 2.34 2.07 2cv4H1 ILE 154 H -0.08 0.33 -0.15 -0.55 8.25 7.80 2cv4H1 ILE 154 HA 0.01 0.03 0.40 -0.75 4.18 3.87 2cv4H1 ILE 154 HB 0.09 0.20 0.11 -0.04 1.89 2.25 2cv4H1 ILE 154 HG12 -0.03 0.00 -0.05 -0.04 1.49 1.37 2cv4H1 ILE 154 HG13 -0.10 0.03 -0.01 -0.04 1.21 1.10 2cv4H1 ILE 154 HG23 0.19 -0.01 -0.13 -0.04 0.93 0.95 2cv4H1 ILE 154 HD13 -0.07 -0.01 -0.10 -0.04 0.88 0.65 2cv4H1 LEU 155 H -0.23 0.34 -0.21 -0.55 8.37 7.72 2cv4H1 LEU 155 HA -0.46 0.05 0.36 -0.75 4.35 3.55 2cv4H1 LEU 155 HB2 -0.85 0.13 0.10 -0.04 1.64 0.98 2cv4H1 LEU 155 HB3 -1.77 -0.01 -0.07 -0.04 1.64 -0.25 2cv4H1 LEU 155 HG -0.89 0.01 -0.05 -0.04 1.64 0.68 2cv4H1 LEU 155 HD13 -0.61 -0.01 -0.03 -0.04 0.93 0.24 2cv4H1 LEU 155 HD23 -1.42 0.01 -0.13 -0.04 0.89 -0.69 2cv4H1 ARG 156 H -0.15 0.39 -0.25 -0.55 8.46 7.89 2cv4H1 ARG 156 HA 0.20 0.01 0.42 -0.75 4.34 4.21 2cv4H1 ARG 156 HB2 0.10 0.05 0.15 -0.04 1.90 2.15 2cv4H1 ARG 156 HB3 0.06 0.09 0.12 -0.04 1.80 2.03 2cv4H1 ARG 156 HG2 0.23 -0.05 -0.05 -0.04 1.67 1.76 2cv4H1 ARG 156 HG3 0.24 -0.02 0.06 -0.04 1.67 1.91 2cv4H1 ARG 156 HD2 0.15 0.32 -0.00 -0.04 3.22 3.65 2cv4H1 ARG 156 HD3 0.09 -0.07 -0.03 -0.04 3.22 3.18 2cv4H1 ILE 157 H -0.01 0.57 -0.19 -0.55 8.25 8.06 2cv4H1 ILE 157 HA 0.03 0.02 0.36 -0.75 4.18 3.83 2cv4H1 ILE 157 HB 0.02 0.08 0.15 -0.04 1.89 2.10 2cv4H1 ILE 157 HG12 0.04 -0.03 0.01 -0.04 1.49 1.46 2cv4H1 ILE 157 HG13 0.03 0.07 0.03 -0.04 1.21 1.31 2cv4H1 ILE 157 HG23 0.05 -0.02 -0.15 -0.04 0.93 0.78 2cv4H1 ILE 157 HD13 0.03 -0.03 -0.10 -0.04 0.88 0.73 2cv4H1 VAL 158 H -0.05 0.55 -0.12 -0.55 8.24 8.06 2cv4H1 VAL 158 HA -0.20 -0.01 0.33 -0.75 4.13 3.49 2cv4H1 VAL 158 HB -0.15 0.08 0.09 -0.04 2.12 2.09 2cv4H1 VAL 158 HG13 -0.50 -0.01 -0.14 -0.04 0.97 0.28 2cv4H1 VAL 158 HG23 0.08 0.03 -0.02 -0.04 0.95 1.00 2cv4H1 LYS 159 H -0.09 0.61 -0.20 -0.55 8.42 8.19 2cv4H1 LYS 159 HA -0.11 0.03 0.41 -0.75 4.32 3.89 2cv4H1 LYS 159 HB2 0.16 0.04 0.10 -0.04 1.87 2.13 2cv4H1 LYS 159 HB3 0.20 0.07 0.18 -0.04 1.79 2.20 2cv4H1 LYS 159 HG2 0.26 -0.04 -0.04 -0.04 1.46 1.60 2cv4H1 LYS 159 HG3 0.16 -0.02 -0.21 -0.04 1.46 1.35 2cv4H1 LYS 159 HD2 -0.01 0.01 0.07 -0.04 1.69 1.72 2cv4H1 LYS 159 HD3 0.09 0.01 -0.01 -0.04 1.68 1.74 2cv4H1 LYS 159 HE2 0.09 0.07 0.06 -0.04 2.99 3.17 2cv4H1 LYS 159 HE3 0.08 -0.04 -0.02 -0.04 2.99 2.97 2cv4H1 ALA 160 H -0.00 0.71 -0.05 -0.55 8.40 8.50 2cv4H1 ALA 160 HA -0.41 -0.03 0.36 -0.75 4.34 3.50 2cv4H1 ALA 160 HB3 -0.11 0.02 0.07 -0.04 1.41 1.35 2cv4H1 LEU 161 H -0.09 0.66 -0.17 -0.55 8.37 8.22 2cv4H1 LEU 161 HA -0.01 0.00 0.43 -0.75 4.35 4.02 2cv4H1 LEU 161 HB2 0.02 0.35 0.16 -0.04 1.64 2.13 2cv4H1 LEU 161 HB3 0.18 -0.01 -0.02 -0.04 1.64 1.75 2cv4H1 LEU 161 HG 0.27 -0.05 -0.01 -0.04 1.64 1.81 2cv4H1 LEU 161 HD13 0.05 -0.00 0.03 -0.04 0.93 0.96 2cv4H1 LEU 161 HD23 0.21 0.01 -0.11 -0.04 0.89 0.95 2cv4H1 LYS 162 H -0.25 0.65 -0.11 -0.55 8.42 8.15 2cv4H1 LYS 162 HA 0.03 -0.01 0.51 -0.75 4.32 4.10 2cv4H1 LYS 162 HB2 -0.25 0.13 0.20 -0.04 1.87 1.91 2cv4H1 LYS 162 HB3 -0.15 -0.06 0.06 -0.04 1.79 1.60 2cv4H1 LYS 162 HG2 -0.54 -0.10 0.06 -0.04 1.46 0.83 2cv4H1 LYS 162 HG3 -1.13 0.12 0.11 -0.04 1.46 0.52 2cv4H1 LYS 162 HD2 -0.65 -0.02 -0.02 -0.04 1.69 0.96 2cv4H1 LYS 162 HD3 -0.34 -0.03 0.06 -0.04 1.68 1.32 2cv4H1 LYS 162 HE2 -0.96 -0.14 0.04 -0.04 2.99 1.89 2cv4H1 LYS 162 HE3 -1.62 -0.06 -0.01 -0.04 2.99 1.26 2cv4H1 LEU 163 H -0.14 0.55 -0.15 -0.55 8.37 8.09 2cv4H1 LEU 163 HA -0.07 -0.04 0.39 -0.75 4.35 3.88 2cv4H1 LEU 163 HB2 -0.30 0.13 0.18 -0.04 1.64 1.60 2cv4H1 LEU 163 HB3 -0.24 -0.03 -0.08 -0.04 1.64 1.25 2cv4H1 LEU 163 HG -0.05 0.07 0.02 -0.04 1.64 1.64 2cv4H1 LEU 163 HD13 -0.07 -0.03 -0.09 -0.04 0.93 0.70 2cv4H1 LEU 163 HD23 -0.00 -0.03 0.02 -0.04 0.89 0.83 2cv4H1 GLY 164 H -0.15 0.76 -0.08 -0.55 8.43 8.42 2cv4H1 GLY 164 HA2 -0.10 -0.01 0.38 -0.51 4.01 3.77 2cv4H1 GLY 164 HA3 -0.08 0.06 0.35 -0.51 4.01 3.83 2cv4H1 ASP 165 H 0.03 0.64 -0.08 -0.55 8.40 8.45 2cv4H1 ASP 165 HA 0.04 -0.01 0.47 -0.75 4.63 4.38 2cv4H1 ASP 165 HB2 0.12 0.12 0.24 -0.04 2.71 3.15 2cv4H1 ASP 165 HB3 0.11 -0.07 0.00 -0.04 2.70 2.70 2cv4H1 SER 166 H 0.02 0.61 -0.01 -0.55 8.46 8.53 2cv4H1 SER 166 HA 0.03 0.04 0.51 -0.75 4.49 4.32 2cv4H1 SER 166 HB2 0.02 -0.08 0.08 -0.04 3.95 3.94 2cv4H1 SER 166 HB3 0.03 -0.02 0.13 -0.04 3.93 4.03 2cv4H1 LEU 167 H -0.00 0.57 -0.12 -0.55 8.37 8.28 2cv4H1 LEU 167 HA 0.02 0.11 0.76 -0.75 4.35 4.48 2cv4H1 LEU 167 HB2 -0.01 0.09 -0.03 -0.04 1.64 1.65 2cv4H1 LEU 167 HB3 0.02 -0.07 0.04 -0.04 1.64 1.59 2cv4H1 LEU 167 HG -0.01 0.04 -0.01 -0.04 1.64 1.62 2cv4H1 LEU 167 HD13 0.00 -0.05 -0.17 -0.04 0.93 0.68 2cv4H1 LEU 167 HD23 0.02 -0.00 -0.08 -0.04 0.89 0.79 2cv4H1 LYS 168 H 0.02 0.24 -0.44 -0.55 8.42 7.69 2cv4H1 LYS 168 HA 0.02 0.07 0.35 -0.75 4.32 4.00 2cv4H1 LYS 168 HB2 0.04 0.07 0.02 -0.04 1.87 1.95 2cv4H1 LYS 168 HB3 0.03 -0.09 0.18 -0.04 1.79 1.87 2cv4H1 LYS 168 HG2 0.03 0.05 0.07 -0.04 1.46 1.57 2cv4H1 LYS 168 HG3 0.03 0.07 -0.15 -0.04 1.46 1.37 2cv4H1 LYS 168 HD2 0.03 -0.03 -0.02 -0.04 1.69 1.62 2cv4H1 LYS 168 HD3 0.03 -0.06 0.02 -0.04 1.68 1.62 2cv4H1 LYS 168 HE2 0.03 0.05 0.00 -0.04 2.99 3.02 2cv4H1 LYS 168 HE3 0.02 -0.09 0.00 -0.04 2.99 2.89 2cv4H1 ARG 169 H -0.01 0.49 0.16 -0.55 8.46 8.55 2cv4H1 ARG 169 HA 0.04 0.23 0.89 -0.75 4.34 4.75 2cv4H1 ARG 169 HB2 -0.04 -0.10 -0.14 -0.04 1.90 1.59 2cv4H1 ARG 169 HB3 -0.00 0.00 -0.13 -0.04 1.80 1.63 2cv4H1 ARG 169 HG2 0.05 0.22 -0.61 -0.04 1.67 1.29 2cv4H1 ARG 169 HG3 0.03 -0.14 -0.22 -0.04 1.67 1.31 2cv4H1 ARG 169 HD2 0.10 -0.06 -0.61 -0.04 3.22 2.61 2cv4H1 ARG 169 HD3 0.10 0.17 -0.27 -0.04 3.22 3.18 2cv4H1 ALA 170 H 0.01 0.77 0.25 -0.55 8.40 8.89 2cv4H1 ALA 170 HA -0.04 0.11 0.75 -0.75 4.34 4.40 2cv4H1 ALA 170 HB3 -0.01 -0.01 0.01 -0.04 1.41 1.35 2cv4H1 VAL 171 H -0.08 0.15 0.11 -0.55 8.24 7.88 2cv4H1 VAL 171 HA -0.21 0.24 0.94 -0.75 4.13 4.34 2cv4H1 VAL 171 HB -0.12 -0.05 0.11 -0.04 2.12 2.01 2cv4H1 VAL 171 HG13 -0.33 0.04 -0.10 -0.04 0.97 0.54 2cv4H1 VAL 171 HG23 -0.34 0.01 -0.14 -0.04 0.95 0.43 2cv4H1 PRO 172 HA 0.00 0.03 0.38 -0.51 4.44 4.34 2cv4H1 PRO 172 HB2 0.06 -0.01 -0.02 -0.04 2.28 2.27 2cv4H1 PRO 172 HB3 0.01 0.00 0.01 -0.04 2.02 2.00 2cv4H1 PRO 172 HG2 0.33 -0.05 -0.08 -0.04 2.03 2.19 2cv4H1 PRO 172 HG3 0.17 0.18 -0.09 -0.04 2.03 2.26 2cv4H1 PRO 172 HD2 -0.06 0.10 0.24 -0.04 3.68 3.91 2cv4H1 PRO 172 HD3 0.02 0.10 0.19 -0.04 3.65 3.91 2cv4H1 ALA 173 H 0.03 0.07 0.14 -0.55 8.40 8.09 2cv4H1 ALA 173 HA 0.06 0.08 0.51 -0.75 4.34 4.24 2cv4H1 ALA 173 HB3 0.03 0.00 0.10 -0.04 1.41 1.50 2cv4H1 ASP 174 H 0.07 0.15 0.16 -0.55 8.40 8.23 2cv4H1 ASP 174 HA 0.06 0.05 0.27 -0.75 4.63 4.26 2cv4H1 ASP 174 HB2 0.01 0.11 -0.14 -0.04 2.71 2.65 2cv4H1 ASP 174 HB3 0.00 0.03 0.05 -0.04 2.70 2.75 2cv4H1 TRP 175 H 0.27 0.28 -0.36 -0.55 7.97 7.62 2cv4H1 TRP 175 HA -0.02 -0.02 0.38 -0.75 4.62 4.19 2cv4H1 TRP 175 HB2 -0.02 0.12 -0.04 -0.04 3.23 3.24 2cv4H1 TRP 175 HB3 -0.01 -0.03 -0.01 -0.04 3.23 3.14 2cv4H1 TRP 175 HD1 -0.02 0.15 -0.08 -0.04 7.22 7.23 2cv4H1 TRP 175 HE1 0.00 0.47 -0.02 -0.04 10.20 10.62 2cv4H1 TRP 175 HE3 -0.00 -0.03 -0.44 -0.04 7.59 7.08 2cv4H1 TRP 175 HZ2 -0.01 -0.04 -0.05 -0.04 7.44 7.29 2cv4H1 TRP 175 HZ3 -0.00 -0.05 -0.09 -0.04 7.13 6.95 2cv4H1 TRP 175 HH2 -0.03 -0.04 -0.19 -0.04 7.19 6.89 2cv4H1 PRO 176 HA -1.72 0.12 0.35 -0.51 4.44 2.68 2cv4H1 PRO 176 HB2 -0.83 -0.02 0.16 -0.04 2.28 1.54 2cv4H1 PRO 176 HB3 -2.33 0.01 0.13 -0.04 2.02 -0.21 2cv4H1 PRO 176 HG2 -0.48 0.02 -0.07 -0.04 2.03 1.46 2cv4H1 PRO 176 HG3 -0.65 0.09 0.11 -0.04 2.03 1.54 2cv4H1 PRO 176 HD2 -0.29 0.11 0.19 -0.04 3.68 3.65 2cv4H1 PRO 176 HD3 -0.76 0.04 0.08 -0.04 3.65 2.98 2cv4H1 ASN 177 H -0.18 0.69 0.23 -0.55 8.53 8.71 2cv4H1 ASN 177 HA -0.17 0.17 0.93 -0.75 4.76 4.94 2cv4H1 ASN 177 HB2 -0.09 0.07 0.11 -0.04 2.88 2.93 2cv4H1 ASN 177 HB3 -0.09 -0.06 0.12 -0.04 2.79 2.72 2cv4H1 ASN 177 HD21 -0.13 -0.03 -0.08 -0.04 7.03 6.76 2cv4H1 ASN 177 HD22 -0.09 0.01 -0.06 -0.04 7.74 7.56 2cv4H1 ASN 178 H -0.09 0.49 -0.26 -0.55 8.53 8.13 2cv4H1 ASN 178 HA -0.01 0.12 0.43 -0.75 4.76 4.54 2cv4H1 ASN 178 HB2 0.06 0.17 -0.10 -0.04 2.88 2.97 2cv4H1 ASN 178 HB3 -0.03 -0.06 -0.07 -0.04 2.79 2.59 2cv4H1 ASN 178 HD21 0.01 -0.10 0.03 -0.04 7.03 6.94 2cv4H1 ASN 178 HD22 0.03 0.76 0.08 -0.04 7.74 8.56 2cv4H1 GLU 179 H -0.03 0.16 0.17 -0.55 8.60 8.35 2cv4H1 GLU 179 HA -0.05 0.13 0.34 -0.75 4.29 3.95 2cv4H1 GLU 179 HB2 -0.02 -0.06 0.11 -0.04 2.09 2.08 2cv4H1 GLU 179 HB3 -0.03 0.01 -0.01 -0.04 1.99 1.92 2cv4H1 GLU 179 HG2 -0.03 0.00 0.04 -0.04 2.34 2.31 2cv4H1 GLU 179 HG3 -0.03 0.09 0.05 -0.04 2.34 2.42 2cv4H1 ILE 180 H -0.06 -0.00 -0.24 -0.55 8.25 7.39 2cv4H1 ILE 180 HA -0.12 0.21 0.64 -0.75 4.18 4.15 2cv4H1 ILE 180 HB -0.11 -0.03 0.01 -0.04 1.89 1.72 2cv4H1 ILE 180 HG12 -0.06 0.05 -0.07 -0.04 1.49 1.36 2cv4H1 ILE 180 HG13 -0.03 -0.10 -0.02 -0.04 1.21 1.02 2cv4H1 ILE 180 HG23 -0.32 0.01 -0.12 -0.04 0.93 0.46 2cv4H1 ILE 180 HD13 0.04 0.01 -0.03 -0.04 0.88 0.86 2cv4H1 ILE 181 H -0.18 0.01 -0.18 -0.55 8.25 7.35 2cv4H1 ILE 181 HA -0.31 0.27 0.84 -0.75 4.18 4.22 2cv4H1 ILE 181 HB -1.05 0.00 0.03 -0.04 1.89 0.83 2cv4H1 ILE 181 HG12 -0.22 -0.11 -0.16 -0.04 1.49 0.96 2cv4H1 ILE 181 HG13 -0.15 0.06 -0.44 -0.04 1.21 0.65 2cv4H1 ILE 181 HG23 -1.36 -0.00 -0.30 -0.04 0.93 -0.78 2cv4H1 ILE 181 HD13 -0.19 0.00 -0.31 -0.04 0.88 0.35 2cv4H1 GLY 182 H -0.10 0.47 -0.19 -0.55 8.43 8.07 2cv4H1 GLY 182 HA2 -0.09 0.15 0.25 -0.51 4.01 3.81 2cv4H1 GLY 182 HA3 -0.07 -0.04 0.29 -0.51 4.01 3.68 2cv4H1 GLU 183 H -0.03 0.10 0.24 -0.55 8.60 8.36 2cv4H1 GLU 183 HA -0.29 0.11 0.88 -0.75 4.29 4.23 2cv4H1 GLU 183 HB2 0.01 -0.06 0.17 -0.04 2.09 2.17 2cv4H1 GLU 183 HB3 -0.30 0.07 0.13 -0.04 1.99 1.85 2cv4H1 GLU 183 HG2 -0.03 -0.04 0.13 -0.04 2.34 2.35 2cv4H1 GLU 183 HG3 0.05 0.02 -0.06 -0.04 2.34 2.31 2cv4H1 GLY 184 H 0.09 0.46 -0.03 -0.55 8.43 8.40 2cv4H1 GLY 184 HA2 0.28 0.09 0.61 -0.51 4.01 4.48 2cv4H1 GLY 184 HA3 0.23 -0.00 0.29 -0.51 4.01 4.02 2cv4H1 LEU 185 H 0.23 0.48 0.37 -0.55 8.37 8.91 2cv4H1 LEU 185 HA 0.03 0.16 0.89 -0.75 4.35 4.68 2cv4H1 LEU 185 HB2 0.06 -0.09 0.06 -0.04 1.64 1.63 2cv4H1 LEU 185 HB3 -0.03 0.08 -0.03 -0.04 1.64 1.61 2cv4H1 LEU 185 HG 0.15 0.08 -0.20 -0.04 1.64 1.62 2cv4H1 LEU 185 HD13 -0.12 -0.03 -0.12 -0.04 0.93 0.61 2cv4H1 LEU 185 HD23 -0.64 0.03 -0.02 -0.04 0.89 0.22 2cv4H1 ILE 186 H 0.03 0.56 0.21 -0.55 8.25 8.50 2cv4H1 ILE 186 HA 0.25 0.16 0.86 -0.75 4.18 4.70 2cv4H1 ILE 186 HB -0.01 -0.09 -0.01 -0.04 1.89 1.74 2cv4H1 ILE 186 HG12 -0.11 0.01 -0.12 -0.04 1.49 1.23 2cv4H1 ILE 186 HG13 0.06 -0.04 -0.23 -0.04 1.21 0.96 2cv4H1 ILE 186 HG23 -0.01 0.03 -0.20 -0.04 0.93 0.71 2cv4H1 ILE 186 HD13 -0.11 -0.03 -0.19 -0.04 0.88 0.51 2cv4H1 VAL 187 H 0.23 0.61 0.31 -0.55 8.24 8.84 2cv4H1 VAL 187 HA 0.14 0.17 0.62 -0.75 4.13 4.30 2cv4H1 VAL 187 HB 0.19 -0.06 -0.01 -0.04 2.12 2.20 2cv4H1 VAL 187 HG13 0.08 0.05 -0.10 -0.04 0.97 0.96 2cv4H1 VAL 187 HG23 0.46 -0.01 -0.12 -0.04 0.95 1.24 2cv4H1 PRO 188 HA 0.06 0.01 0.36 -0.51 4.44 4.36 2cv4H1 PRO 188 HB2 0.06 -0.03 0.05 -0.04 2.28 2.31 2cv4H1 PRO 188 HB3 0.05 -0.01 0.03 -0.04 2.02 2.05 2cv4H1 PRO 188 HG2 0.04 0.04 -0.00 -0.04 2.03 2.07 2cv4H1 PRO 188 HG3 0.04 -0.03 -0.04 -0.04 2.03 1.96 2cv4H1 PRO 188 HD2 0.07 0.05 0.21 -0.04 3.68 3.97 2cv4H1 PRO 188 HD3 0.07 0.28 0.42 -0.04 3.65 4.38 2cv4H1 PRO 189 HA 0.19 0.14 0.47 -0.51 4.44 4.73 2cv4H1 PRO 189 HB2 0.26 0.01 0.06 -0.04 2.28 2.57 2cv4H1 PRO 189 HB3 0.22 0.22 0.25 -0.04 2.02 2.67 2cv4H1 PRO 189 HG2 0.11 -0.03 0.05 -0.04 2.03 2.12 2cv4H1 PRO 189 HG3 0.10 -0.00 0.11 -0.04 2.03 2.19 2cv4H1 PRO 189 HD2 0.07 0.02 0.14 -0.04 3.68 3.87 2cv4H1 PRO 189 HD3 0.06 0.11 0.20 -0.04 3.65 3.98 2cv4H1 PRO 190 HA 0.12 0.04 0.41 -0.51 4.44 4.50 2cv4H1 PRO 190 HB2 0.17 -0.07 -0.06 -0.04 2.28 2.28 2cv4H1 PRO 190 HB3 0.10 -0.13 -0.10 -0.04 2.02 1.86 2cv4H1 PRO 190 HG2 0.43 0.00 0.01 -0.04 2.03 2.42 2cv4H1 PRO 190 HG3 0.20 0.11 -0.00 -0.04 2.03 2.30 2cv4H1 PRO 190 HD2 0.62 -0.05 0.11 -0.04 3.68 4.32 2cv4H1 PRO 190 HD3 0.31 0.25 0.30 -0.04 3.65 4.47 2cv4H1 THR 191 H 0.07 0.05 0.17 -0.55 8.28 8.03 2cv4H1 THR 191 HA 0.11 0.32 1.05 -0.75 4.39 5.12 2cv4H1 THR 191 HB 0.04 -0.04 0.17 -0.04 4.32 4.45 2cv4H1 THR 191 HG23 0.07 0.06 -0.11 -0.04 1.22 1.20 2cv4H1 THR 192 H 0.01 0.12 0.07 -0.55 8.28 7.94 2cv4H1 THR 192 HA -0.03 0.27 0.85 -0.75 4.39 4.73 2cv4H1 THR 192 HB -0.03 0.02 0.12 -0.04 4.32 4.39 2cv4H1 THR 192 HG23 0.00 0.05 -0.18 -0.04 1.22 1.05 2cv4H1 GLU 193 H -0.08 0.22 0.12 -0.55 8.60 8.31 2cv4H1 GLU 193 HA -0.25 0.12 0.36 -0.75 4.29 3.76 2cv4H1 GLU 193 HB2 -0.08 -0.02 0.18 -0.04 2.09 2.13 2cv4H1 GLU 193 HB3 -0.10 0.06 -0.03 -0.04 1.99 1.87 2cv4H1 GLU 193 HG2 -0.19 0.04 0.04 -0.04 2.34 2.19 2cv4H1 GLU 193 HG3 -0.13 0.02 0.05 -0.04 2.34 2.24 2cv4H1 ASP 194 H -0.06 0.08 -0.14 -0.55 8.40 7.72 2cv4H1 ASP 194 HA -0.06 0.10 0.40 -0.75 4.63 4.31 2cv4H1 ASP 194 HB2 -0.03 -0.06 0.06 -0.04 2.71 2.64 2cv4H1 ASP 194 HB3 -0.03 0.08 -0.07 -0.04 2.70 2.65 2cv4H1 GLN 195 H -0.04 0.03 -0.19 -0.55 8.47 7.73 2cv4H1 GLN 195 HA -0.01 0.09 0.45 -0.75 4.36 4.13 2cv4H1 GLN 195 HB2 0.01 -0.08 0.20 -0.04 2.15 2.24 2cv4H1 GLN 195 HB3 0.03 0.13 0.04 -0.04 2.02 2.19 2cv4H1 GLN 195 HG2 0.00 0.09 0.05 -0.04 2.40 2.50 2cv4H1 GLN 195 HG3 -0.00 -0.10 0.07 -0.04 2.39 2.31 2cv4H1 GLN 195 HE21 0.02 0.07 0.01 -0.04 6.97 7.04 2cv4H1 GLN 195 HE22 0.01 0.01 0.01 -0.04 7.69 7.67 2cv4H1 ALA 196 H -0.09 0.42 -0.13 -0.55 8.40 8.05 2cv4H1 ALA 196 HA 0.11 0.11 0.35 -0.75 4.34 4.16 2cv4H1 ALA 196 HB3 -0.57 0.00 0.03 -0.04 1.41 0.83 2cv4H1 ARG 197 H -0.11 0.35 -0.17 -0.55 8.46 7.98 2cv4H1 ARG 197 HA -0.06 0.04 0.45 -0.75 4.34 4.02 2cv4H1 ARG 197 HB2 -0.06 0.03 0.15 -0.04 1.90 1.98 2cv4H1 ARG 197 HB3 -0.04 -0.02 -0.07 -0.04 1.80 1.63 2cv4H1 ARG 197 HG2 -0.10 -0.01 0.03 -0.04 1.67 1.55 2cv4H1 ARG 197 HG3 -0.12 0.05 0.00 -0.04 1.67 1.56 2cv4H1 ARG 197 HD2 -0.05 -0.04 -0.03 -0.04 3.22 3.07 2cv4H1 ARG 197 HD3 -0.04 0.01 -0.01 -0.04 3.22 3.14 2cv4H1 ALA 198 H -0.03 0.45 -0.09 -0.55 8.40 8.18 2cv4H1 ALA 198 HA -0.01 -0.04 0.43 -0.75 4.34 3.96 2cv4H1 ALA 198 HB3 -0.02 -0.01 0.13 -0.04 1.41 1.47 2cv4H1 ARG 199 H 0.03 0.25 -0.62 -0.55 8.46 7.57 2cv4H1 ARG 199 HA -0.01 0.07 0.40 -0.75 4.34 4.05 2cv4H1 ARG 199 HB2 0.11 0.08 0.14 -0.04 1.90 2.18 2cv4H1 ARG 199 HB3 0.11 -0.02 0.08 -0.04 1.80 1.92 2cv4H1 ARG 199 HG2 0.01 0.00 0.02 -0.04 1.67 1.65 2cv4H1 ARG 199 HG3 -0.01 -0.06 -0.03 -0.04 1.67 1.53 2cv4H1 ARG 199 HD2 0.12 -0.06 -0.04 -0.04 3.22 3.19 2cv4H1 ARG 199 HD3 0.17 0.15 0.08 -0.04 3.22 3.58 2cv4H1 GLU 201 HA -0.04 0.19 0.14 -0.75 4.29 3.82 2cv4H1 GLU 201 HB2 -0.03 0.03 0.08 -0.04 2.09 2.13 2cv4H1 GLU 201 HB3 -0.02 -0.05 0.10 -0.04 1.99 1.98 2cv4H1 GLU 201 HG2 -0.03 -0.03 -0.03 -0.04 2.34 2.20 2cv4H1 GLU 201 HG3 -0.05 -0.04 -0.17 -0.04 2.34 2.03 2cv4H1 SER 202 H -0.01 0.27 0.10 -0.55 8.46 8.28 2cv4H1 SER 202 HA -0.01 -0.10 0.39 -0.75 4.49 4.01 2cv4H1 SER 202 HB2 -0.01 0.11 0.17 -0.04 3.95 4.17 2cv4H1 SER 202 HB3 -0.01 -0.01 0.10 -0.04 3.93 3.97 2cv4H1 GLY 203 H -0.01 0.08 0.15 -0.55 8.43 8.10 2cv4H1 GLY 203 HA2 -0.01 0.01 0.42 -0.51 4.01 3.91 2cv4H1 GLY 203 HA3 0.01 -0.02 0.32 -0.51 4.01 3.81 2cv4H1 GLN 204 H 0.08 0.22 0.31 -0.55 8.47 8.53 2cv4H1 GLN 204 HA -0.10 0.07 0.69 -0.75 4.36 4.26 2cv4H1 GLN 204 HB2 0.15 0.01 0.16 -0.04 2.15 2.43 2cv4H1 GLN 204 HB3 -0.15 0.04 0.04 -0.04 2.02 1.91 2cv4H1 GLN 204 HG2 -0.02 -0.02 0.05 -0.04 2.40 2.36 2cv4H1 GLN 204 HG3 0.04 -0.01 0.04 -0.04 2.39 2.42 2cv4H1 GLN 204 HE21 -0.02 0.02 0.01 -0.04 6.97 6.94 2cv4H1 GLN 204 HE22 -0.00 -0.02 0.02 -0.04 7.69 7.65 2cv4H1 TYR 205 H 0.05 0.31 -0.21 -0.55 8.29 7.89 2cv4H1 TYR 205 HA -0.28 0.39 1.40 -0.75 4.56 5.32 2cv4H1 TYR 205 HB2 -0.10 0.11 0.01 -0.04 3.06 3.04 2cv4H1 TYR 205 HB3 -0.14 -0.02 0.12 -0.04 2.98 2.91 2cv4H1 TYR 205 HD2 -0.05 -0.06 -0.12 -0.04 7.15 6.88 2cv4H1 TYR 205 HE2 0.00 -0.03 -0.11 -0.04 6.85 6.68 2cv4H1 ARG 206 H -0.60 0.08 0.02 -0.55 8.46 7.40 2cv4H1 ARG 206 HA -0.42 0.00 0.36 -0.75 4.34 3.53 2cv4H1 ARG 206 HB2 -2.53 -0.01 0.03 -0.04 1.90 -0.65 2cv4H1 ARG 206 HB3 -0.78 -0.03 0.04 -0.04 1.80 0.99 2cv4H1 ARG 206 HG2 -0.24 -0.04 0.01 -0.04 1.67 1.36 2cv4H1 ARG 206 HG3 -0.34 0.01 0.03 -0.04 1.67 1.34 2cv4H1 ARG 206 HD2 -0.47 0.06 0.01 -0.04 3.22 2.78 2cv4H1 ARG 206 HD3 -0.94 0.04 0.01 -0.04 3.22 2.28 2cv4H1 CYS 207 H -0.26 0.15 0.22 -0.55 8.50 8.06 2cv4H1 CYS 207 HA -0.05 0.27 1.22 -0.75 4.58 5.26 2cv4H1 CYS 207 HB2 -0.06 -0.08 0.03 -0.04 2.97 2.81 2cv4H1 CYS 207 HB3 -0.04 0.04 -0.09 -0.04 2.97 2.84 2cv4H1 LEU 208 H -0.04 0.57 0.32 -0.55 8.37 8.68 2cv4H1 LEU 208 HA -0.12 0.10 0.77 -0.75 4.35 4.35 2cv4H1 LEU 208 HB2 -0.74 0.03 0.13 -0.04 1.64 1.02 2cv4H1 LEU 208 HB3 -0.39 -0.05 0.06 -0.04 1.64 1.22 2cv4H1 LEU 208 HG -0.16 0.03 -0.09 -0.04 1.64 1.38 2cv4H1 LEU 208 HD13 -0.80 -0.01 -0.04 -0.04 0.93 0.04 2cv4H1 LEU 208 HD23 -0.08 0.01 -0.02 -0.04 0.89 0.77 2cv4H1 ASP 209 H -0.30 0.42 0.19 -0.55 8.40 8.16 2cv4H1 ASP 209 HA -0.20 0.17 0.40 -0.75 4.63 4.24 2cv4H1 ASP 209 HB2 -0.71 0.09 -0.21 -0.04 2.71 1.83 2cv4H1 ASP 209 HB3 -1.94 -0.17 -0.02 -0.04 2.70 0.52 2cv4H1 TRP 210 H -0.26 0.16 0.12 -0.55 7.97 7.44 2cv4H1 TRP 210 HA 0.01 0.21 0.42 -0.75 4.62 4.51 2cv4H1 TRP 210 HB2 0.09 0.06 0.15 -0.04 3.23 3.48 2cv4H1 TRP 210 HB3 0.06 0.13 0.13 -0.04 3.23 3.50 2cv4H1 TRP 210 HD1 0.12 0.04 0.05 -0.04 7.22 7.39 2cv4H1 TRP 210 HE1 0.20 -0.01 0.00 -0.04 10.20 10.36 2cv4H1 TRP 210 HE3 0.21 0.06 -0.37 -0.04 7.59 7.45 2cv4H1 TRP 210 HZ2 0.11 -0.01 -0.03 -0.04 7.44 7.46 2cv4H1 TRP 210 HZ3 0.17 0.14 -0.09 -0.04 7.13 7.30 2cv4H1 TRP 210 HH2 0.03 0.01 -0.06 -0.04 7.19 7.13 2cv4H1 TRP 211 H -1.10 -0.03 -0.29 -0.55 7.97 6.00 2cv4H1 TRP 211 HA 0.07 0.25 0.80 -0.75 4.62 4.98 2cv4H1 TRP 211 HB2 -0.30 0.05 0.12 -0.04 3.23 3.06 2cv4H1 TRP 211 HB3 -1.23 0.00 0.01 -0.04 3.23 1.97 2cv4H1 TRP 211 HD1 -2.53 -0.04 0.01 -0.04 7.22 4.63 2cv4H1 TRP 211 HE1 -0.38 0.01 -0.01 -0.04 10.20 9.77 2cv4H1 TRP 211 HE3 -0.16 0.05 -0.16 -0.04 7.59 7.28 2cv4H1 TRP 211 HZ2 -0.06 0.00 -0.05 -0.04 7.44 7.29 2cv4H1 TRP 211 HZ3 -0.06 0.00 -0.07 -0.04 7.13 6.96 2cv4H1 TRP 211 HH2 0.08 -0.01 -0.06 -0.04 7.19 7.16 2cv4H1 PHE 212 H -0.41 0.31 -0.51 -0.55 8.34 7.18 2cv4H1 PHE 212 HA -0.10 0.26 0.88 -0.75 4.62 4.91 2cv4H1 PHE 212 HB2 -1.51 -0.03 -0.13 -0.04 3.15 1.43 2cv4H1 PHE 212 HB3 -0.62 -0.23 0.23 -0.04 3.06 2.39 2cv4H1 PHE 212 HD2 -0.14 0.06 -0.32 -0.04 7.28 6.83 2cv4H1 PHE 212 HE2 -0.16 0.00 -0.14 -0.04 7.38 7.04 2cv4H1 PHE 212 HZ -0.22 -0.07 -0.10 -0.04 7.32 6.88 2cv4H1 CYS 213 H 0.21 0.31 0.01 -0.55 8.50 8.49 2cv4H1 CYS 213 HA 0.27 0.29 1.21 -0.75 4.58 5.59 2cv4H1 CYS 213 HB2 0.19 -0.02 0.01 -0.04 2.97 3.11 2cv4H1 CYS 213 HB3 0.23 0.08 0.03 -0.04 2.97 3.27 2cv4H1 TRP 214 H -0.11 0.69 0.21 -0.55 7.97 8.23 2cv4H1 TRP 214 HA 0.08 0.06 0.73 -0.75 4.62 4.73 2cv4H1 TRP 214 HB2 0.07 0.21 -0.05 -0.04 3.23 3.42 2cv4H1 TRP 214 HB3 0.18 -0.06 -0.47 -0.04 3.23 2.83 2cv4H1 TRP 214 HD1 0.01 0.14 -0.14 -0.04 7.22 7.19 2cv4H1 TRP 214 HE1 -0.01 -0.03 -0.09 -0.04 10.20 10.02 2cv4H1 TRP 214 HE3 0.14 -0.04 -0.33 -0.04 7.59 7.32 2cv4H1 TRP 214 HZ2 -0.06 -0.01 -0.08 -0.04 7.44 7.25 2cv4H1 TRP 214 HZ3 -0.35 -0.09 -0.23 -0.04 7.13 6.41 2cv4H1 TRP 214 HH2 -0.16 -0.01 -0.17 -0.04 7.19 6.81 2cv4H1 ASP 215 H 0.17 0.48 0.33 -0.55 8.40 8.84 2cv4H1 ASP 215 HA -0.31 0.18 0.74 -0.75 4.63 4.48 2cv4H1 ASP 215 HB2 -0.28 -0.19 0.23 -0.04 2.71 2.43 2cv4H1 ASP 215 HB3 -0.92 0.25 0.03 -0.04 2.70 2.01 2cv4H1 THR 216 H -0.04 0.23 0.06 -0.55 8.28 7.98 2cv4H1 THR 216 HA 0.15 0.17 0.90 -0.75 4.39 4.86 2cv4H1 THR 216 HB 0.08 0.01 0.12 -0.04 4.32 4.50 2cv4H1 THR 216 HG23 0.18 -0.00 -0.19 -0.04 1.22 1.17 2cv4H1 PRO 217 HA 0.03 0.13 0.67 -0.51 4.44 4.76 2cv4H1 PRO 217 HB2 0.03 0.04 0.05 -0.04 2.28 2.36 2cv4H1 PRO 217 HB3 0.02 0.01 0.04 -0.04 2.02 2.05 2cv4H1 PRO 217 HG2 0.04 0.04 -0.11 -0.04 2.03 1.96 2cv4H1 PRO 217 HG3 0.04 0.13 -0.06 -0.04 2.03 2.10 2cv4H1 PRO 217 HD2 0.10 0.14 0.08 -0.04 3.68 3.96 2cv4H1 PRO 217 HD3 0.04 0.04 -0.31 -0.04 3.65 3.38 2cv4H1 ALA 218 H 0.12 0.10 -0.17 -0.55 8.40 7.90 2cv4H1 ALA 218 HA 0.07 0.08 0.53 -0.75 4.34 4.27 2cv4H1 ALA 218 HB3 0.22 0.01 0.03 -0.04 1.41 1.64 2cv4H1 SER 219 H 0.06 0.09 0.21 -0.55 8.46 8.27 2cv4H1 SER 219 HA 0.03 0.18 0.46 -0.75 4.49 4.40 2cv4H1 SER 219 HB2 0.01 0.01 0.14 -0.04 3.95 4.08 2cv4H1 SER 219 HB3 0.02 0.16 0.17 -0.04 3.93 4.25 2cv4H1 ARG 220 H 0.01 0.20 0.18 -0.55 8.46 8.30 2cv4H1 ARG 220 HA -0.01 0.13 0.38 -0.75 4.34 4.08 2cv4H1 ARG 220 HB2 -0.01 0.09 0.13 -0.04 1.90 2.07 2cv4H1 ARG 220 HB3 -0.01 -0.02 0.16 -0.04 1.80 1.89 2cv4H1 ARG 220 HG2 -0.03 -0.01 -0.19 -0.04 1.67 1.40 2cv4H1 ARG 220 HG3 -0.04 -0.00 0.04 -0.04 1.67 1.63 2cv4H1 ARG 220 HD2 -0.02 0.01 0.01 -0.04 3.22 3.18 2cv4H1 ARG 220 HD3 -0.03 0.01 -0.02 -0.04 3.22 3.14 2cv4H1 ASP 221 H -0.00 0.09 -0.19 -0.55 8.40 7.75 2cv4H1 ASP 221 HA -0.03 0.09 0.38 -0.75 4.63 4.31 2cv4H1 ASP 221 HB2 -0.00 -0.01 0.03 -0.04 2.71 2.68 2cv4H1 ASP 221 HB3 -0.02 0.07 -0.01 -0.04 2.70 2.70 2cv4H1 ASP 222 H 0.02 0.08 -0.26 -0.55 8.40 7.70 2cv4H1 ASP 222 HA 0.03 0.08 0.40 -0.75 4.63 4.39 2cv4H1 ASP 222 HB2 0.11 0.11 0.15 -0.04 2.71 3.04 2cv4H1 ASP 222 HB3 0.17 0.06 -0.01 -0.04 2.70 2.88 2cv4H1 VAL 223 H 0.04 0.47 -0.17 -0.55 8.24 8.04 2cv4H1 VAL 223 HA -0.14 0.05 0.32 -0.75 4.13 3.60 2cv4H1 VAL 223 HB -0.06 0.05 0.11 -0.04 2.12 2.17 2cv4H1 VAL 223 HG13 -0.26 -0.01 -0.09 -0.04 0.97 0.58 2cv4H1 VAL 223 HG23 0.06 0.04 -0.07 -0.04 0.95 0.94 2cv4H1 GLU 224 H -0.08 0.56 -0.18 -0.55 8.60 8.35 2cv4H1 GLU 224 HA -0.14 0.01 0.37 -0.75 4.29 3.77 2cv4H1 GLU 224 HB2 -0.09 0.08 0.14 -0.04 2.09 2.18 2cv4H1 GLU 224 HB3 -0.10 -0.05 -0.04 -0.04 1.99 1.76 2cv4H1 GLU 224 HG2 -0.07 0.10 0.10 -0.04 2.34 2.44 2cv4H1 GLU 224 HG3 -0.06 -0.10 -0.08 -0.04 2.34 2.06 2cv4H1 GLU 225 H -0.12 0.65 -0.11 -0.55 8.60 8.47 2cv4H1 GLU 225 HA -0.30 -0.01 0.45 -0.75 4.29 3.68 2cv4H1 GLU 225 HB2 -0.12 -0.01 0.13 -0.04 2.09 2.05 2cv4H1 GLU 225 HB3 -0.11 0.15 0.21 -0.04 1.99 2.20 2cv4H1 GLU 225 HG2 -0.30 0.00 -0.18 -0.04 2.34 1.82 2cv4H1 GLU 225 HG3 -0.24 -0.06 0.02 -0.04 2.34 2.02 2cv4H1 ALA 226 H -0.16 0.56 -0.16 -0.55 8.40 8.10 2cv4H1 ALA 226 HA -0.24 0.00 0.37 -0.75 4.34 3.71 2cv4H1 ALA 226 HB3 0.06 0.04 0.10 -0.04 1.41 1.56 2cv4H1 ARG 227 H -0.26 0.68 -0.04 -0.55 8.46 8.28 2cv4H1 ARG 227 HA -0.17 -0.00 0.37 -0.75 4.34 3.79 2cv4H1 ARG 227 HB2 -0.25 0.11 0.13 -0.04 1.90 1.85 2cv4H1 ARG 227 HB3 -0.18 0.05 0.11 -0.04 1.80 1.74 2cv4H1 ARG 227 HG2 -0.12 -0.05 -0.05 -0.04 1.67 1.41 2cv4H1 ARG 227 HG3 -0.15 -0.02 0.03 -0.04 1.67 1.48 2cv4H1 ARG 227 HD2 -0.15 -0.01 -0.05 -0.04 3.22 2.97 2cv4H1 ARG 227 HD3 -0.12 -0.04 -0.04 -0.04 3.22 2.98 2cv4H1 ARG 228 H -0.29 0.51 -0.49 -0.55 8.46 7.63 2cv4H1 ARG 228 HA -0.12 -0.03 0.47 -0.75 4.34 3.91 2cv4H1 ARG 228 HB2 -0.19 0.16 0.12 -0.04 1.90 1.96 2cv4H1 ARG 228 HB3 -0.33 0.16 0.17 -0.04 1.80 1.76 2cv4H1 ARG 228 HG2 -0.10 -0.02 -0.06 -0.04 1.67 1.46 2cv4H1 ARG 228 HG3 -0.08 -0.07 0.06 -0.04 1.67 1.54 2cv4H1 ARG 228 HD2 -0.07 -0.04 -0.02 -0.04 3.22 3.05 2cv4H1 ARG 228 HD3 -0.09 -0.03 -0.03 -0.04 3.22 3.04 2cv4H1 TYR 229 H -0.44 0.51 -0.09 -0.55 8.29 7.72 2cv4H1 TYR 229 HA -0.08 -0.00 0.41 -0.75 4.56 4.14 2cv4H1 TYR 229 HB2 -0.06 0.11 0.09 -0.04 3.06 3.16 2cv4H1 TYR 229 HB3 -0.09 -0.08 0.07 -0.04 2.98 2.84 2cv4H1 TYR 229 HD2 -0.07 -0.03 0.00 -0.04 7.15 7.00 2cv4H1 TYR 229 HE2 -0.09 -0.03 -0.09 -0.04 6.85 6.60 2cv4H1 LEU 230 H 0.01 0.41 -0.25 -0.55 8.37 7.99 2cv4H1 LEU 230 HA 0.02 -0.01 0.43 -0.75 4.35 4.03 2cv4H1 LEU 230 HB2 -0.04 0.13 0.13 -0.04 1.64 1.81 2cv4H1 LEU 230 HB3 -0.03 -0.01 -0.06 -0.04 1.64 1.50 2cv4H1 LEU 230 HG -0.01 -0.03 -0.03 -0.04 1.64 1.53 2cv4H1 LEU 230 HD13 0.05 -0.01 -0.09 -0.04 0.93 0.84 2cv4H1 LEU 230 HD23 -0.03 0.02 -0.10 -0.04 0.89 0.75 2cv4H1 ARG 231 H -0.04 0.52 -0.09 -0.55 8.46 8.29 2cv4H1 ARG 231 HA -0.03 0.02 0.43 -0.75 4.34 4.01 2cv4H1 ARG 231 HB2 -0.06 0.10 0.19 -0.04 1.90 2.10 2cv4H1 ARG 231 HB3 -0.04 -0.04 -0.03 -0.04 1.80 1.65 2cv4H1 ARG 231 HG2 -0.04 -0.04 0.02 -0.04 1.67 1.57 2cv4H1 ARG 231 HG3 -0.06 0.08 0.02 -0.04 1.67 1.67 2cv4H1 ARG 231 HD2 -0.05 -0.01 -0.02 -0.04 3.22 3.10 2cv4H1 ARG 231 HD3 -0.05 -0.04 -0.02 -0.04 3.22 3.07 2cv4H1 ARG 232 H -0.01 0.61 -0.18 -0.55 8.46 8.33 2cv4H1 ARG 232 HA -0.01 0.01 0.38 -0.75 4.34 3.96 2cv4H1 ARG 232 HB2 0.00 -0.02 0.10 -0.04 1.90 1.94 2cv4H1 ARG 232 HB3 0.02 0.11 0.16 -0.04 1.80 2.05 2cv4H1 ARG 232 HG2 -0.01 -0.00 -0.32 -0.04 1.67 1.30 2cv4H1 ARG 232 HG3 -0.00 -0.02 0.02 -0.04 1.67 1.63 2cv4H1 ARG 232 HD2 -0.00 -0.02 -0.04 -0.04 3.22 3.11 2cv4H1 ARG 232 HD3 0.01 -0.02 -0.01 -0.04 3.22 3.16 2cv4H1 ALA 233 H 0.00 0.38 -0.26 -0.55 8.40 7.98 2cv4H1 ALA 233 HA -0.01 0.01 0.44 -0.75 4.34 4.02 2cv4H1 ALA 233 HB3 -0.01 -0.01 0.08 -0.04 1.41 1.42 2cv4H1 ALA 234 H -0.01 0.33 -0.33 -0.55 8.40 7.84 2cv4H1 ALA 234 HA -0.01 0.02 0.46 -0.75 4.34 4.06 2cv4H1 ALA 234 HB3 -0.01 -0.02 0.09 -0.04 1.41 1.42 2cv4H1 GLU 235 H -0.01 0.32 -0.31 -0.55 8.60 8.05 2cv4H1 GLU 235 HA -0.01 -0.01 0.48 -0.75 4.29 4.00 2cv4H1 GLU 235 HB2 -0.01 0.04 0.03 -0.04 2.09 2.12 2cv4H1 GLU 235 HB3 -0.01 0.00 -0.08 -0.04 1.99 1.86 2cv4H1 GLU 235 HG2 -0.01 -0.08 -0.02 -0.04 2.34 2.18 2cv4H1 GLU 235 HG3 -0.02 0.30 0.03 -0.04 2.34 2.62 2cv4H1 LYS 236 H -0.00 0.05 0.16 -0.55 8.42 8.06 2cv4H1 LYS 236 HA 0.00 0.15 0.58 -0.75 4.32 4.30 2cv4H1 LYS 236 HB2 0.00 -0.01 0.12 -0.04 1.87 1.94 2cv4H1 LYS 236 HB3 0.00 -0.08 0.10 -0.04 1.79 1.78 2cv4H1 LYS 236 HG2 0.00 0.20 -0.21 -0.04 1.46 1.41 2cv4H1 LYS 236 HG3 0.01 -0.00 0.06 -0.04 1.46 1.48 2cv4H1 LYS 236 HD2 0.00 -0.04 0.01 -0.04 1.69 1.63 2cv4H1 LYS 236 HD3 0.00 -0.04 -0.03 -0.04 1.68 1.57 2cv4H1 LYS 236 HE2 0.01 -0.06 -0.01 -0.04 2.99 2.89 2cv4H1 LYS 236 HE3 0.01 0.06 -0.02 -0.04 2.99 3.00 2cv4H1 PRO 237 HA 0.00 0.03 0.41 -0.51 4.44 4.37 2cv4H1 PRO 237 HB2 0.01 -0.06 -0.09 -0.04 2.28 2.11 2cv4H1 PRO 237 HB3 0.01 0.06 0.07 -0.04 2.02 2.12 2cv4H1 PRO 237 HG2 0.01 -0.02 0.08 -0.04 2.03 2.06 2cv4H1 PRO 237 HG3 0.00 0.13 0.09 -0.04 2.03 2.22 2cv4H1 PRO 237 HD2 0.01 0.02 0.18 -0.04 3.68 3.85 2cv4H1 PRO 237 HD3 0.00 0.28 0.31 -0.04 3.65 4.20 2cv4H1 ALA 238 H 0.00 0.15 0.15 -0.55 8.40 8.16 2cv4H1 ALA 238 HA 0.00 0.16 0.57 -0.75 4.34 4.32 2cv4H1 ALA 238 HB3 -0.00 0.00 0.11 -0.04 1.41 1.48 2cv4H1 LYS 239 H 0.01 0.06 -0.59 -0.55 8.42 7.34 2cv4H1 LYS 239 HA 0.01 0.10 0.60 -0.75 4.32 4.27 2cv4H1 LYS 239 HB2 0.00 0.04 -0.31 -0.04 1.87 1.56 2cv4H1 LYS 239 HB3 0.01 -0.04 0.04 -0.04 1.79 1.76 2cv4H1 LYS 239 HG2 0.01 0.07 -0.20 -0.04 1.46 1.29 2cv4H1 LYS 239 HG3 0.00 0.01 -0.02 -0.04 1.46 1.41 2cv4H1 LYS 239 HD2 0.00 0.00 -0.07 -0.04 1.69 1.59 2cv4H1 LYS 239 HD3 0.00 -0.03 -0.05 -0.04 1.68 1.56 2cv4H1 LYS 239 HE2 0.01 0.02 -0.20 -0.04 2.99 2.77 2cv4H1 LYS 239 HE3 0.01 0.01 -0.06 -0.04 2.99 2.91 2cv4H1 LEU 240 H 0.01 0.16 0.02 -0.55 8.37 8.02 2cv4H1 LEU 240 HA 0.02 0.10 0.77 -0.75 4.35 4.48 2cv4H1 LEU 240 HB2 0.02 -0.01 0.12 -0.04 1.64 1.73 2cv4H1 LEU 240 HB3 0.03 0.07 -0.05 -0.04 1.64 1.64 2cv4H1 LEU 240 HG 0.01 0.00 -0.04 -0.04 1.64 1.57 2cv4H1 LEU 240 HD13 0.02 -0.00 -0.01 -0.04 0.93 0.90 2cv4H1 LEU 240 HD23 0.02 0.00 -0.06 -0.04 0.89 0.82 2cv4H1 LEU 241 H 0.02 0.09 0.08 -0.55 8.37 8.02 2cv4H1 LEU 241 HA 0.01 0.12 0.10 -0.75 4.35 3.83 2cv4H1 LEU 241 HB2 0.04 -0.04 0.10 -0.04 1.64 1.70 2cv4H1 LEU 241 HB3 0.02 0.12 0.10 -0.04 1.64 1.83 2cv4H1 LEU 241 HG 0.02 -0.02 0.09 -0.04 1.64 1.69 2cv4H1 LEU 241 HD13 0.03 0.02 0.02 -0.04 0.93 0.96 2cv4H1 LEU 241 HD23 0.01 0.02 -0.05 -0.04 0.89 0.83