Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 2362.68 725 0.2865 6.141512 772.5 1.28 15020.0169 73.15 2 2388.74 693 0.2865 6.131517 793.4 1.52 14518.5411 69.83 3 2411.38 694 0.2872 6.091474 797.1 1.77 14918.9273 73.01 4 2566.41 737 0.2821 6.171719 919.3 1.80 16222.0613 79.48 5 2574.74 718 0.2943 8.101608 850.1 1.71 15021.8834117.99 6 2630.51 767 0.2940 7.391660 898.6 1.71 16421.2905 91.21 7 2637.02 761 0.2965 7.791618 877.0 1.80 15820.6033 76.36 8 2648.37 763 0.2902 7.731654 897.7 2.10 16022.3273103.86 9 2657.38 789 0.2909 5.921732 936.5 1.68 14720.8548120.00 10 2665.42 737 0.2850 5.851698 942.2 2.16 15622.5745102.20 11 2678.91 784 0.2862 5.841756 953.5 1.82 15921.8413101.19 12 2682.83 749 0.2922 8.061719 931.9 2.15 15721.2892107.25 13 2684.81 700 0.2902 7.341719 938.6 1.99 14920.7392 78.32 14 2686.61 754 0.2865 6.541777 957.4 1.88 14823.2720100.86 15 2692.22 747 0.2901 7.481728 930.4 1.96 14822.2451111.56 16 2701.88 766 0.2957 7.511724 931.7 1.44 16122.3302 90.46 17 2704.46 792 0.2907 7.801761 954.0 1.93 17122.8325 86.86 18 2704.64 733 0.2970 7.521692 915.9 1.46 15520.8336100.12 19 2715.86 826 0.2933 8.131870 975.6 1.54 17424.2498103.42 20 2717.72 779 0.2910 6.171745 941.0 1.70 15524.0894100.33 Ave 2625.63 751 0.2903 6.981684 905.7 1.77 15621.6401 94.37 +/- 107.98 34 0.0040 0.84 95 57.1 0.24 8 1.4553 14.93 Min 2362.68 693 0.2821 5.841474 772.5 1.28 14518.5411 69.83 Max 2717.72 826 0.2970 8.131870 975.6 2.16 17424.2498120.00 Cut 0.30 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HA PRO 40 - QB ALA 43 3.63 7 0.25 0.66 *+ +++ ++ peak 1631 Upper HG2 PRO 40 - HE ARG 44 5.50 11 0.40 1.25 ++++ + +++ ++ * peak 653 HG3 GLU 67 - HE ARG 344 Upper HB3 GLU 41 - HE1 TRP 72 5.50 12 0.28 0.65 +++++ ++* ++ ++ peak 264 Upper H ALA 43 - HA TRP 72 5.50 12 0.52 1.55 +++++ ++++ *+ + peak 693 Upper QB ALA 43 - QD2 LEU 68 4.40 10 0.26 0.52 ++ ++*+ + ++ + peak 1633 Upper QB ALA 43 - H TRP 72 4.27 15 0.55 1.17 + +++++++++ ++ ++ * peak 1652 Upper QB ALA 43 - HA TRP 72 3.64 13 0.54 1.28 +++++ +++++ *+ + peak 1632 Upper QB ALA 43 - HE3 TRP 72 4.53 12 0.37 0.87 ++*+ ++ ++++++ peak 125 Upper QB ALA 43 - HE1 TRP 72 5.13 18 0.88 1.58 + ++++++++ *++++++++ peak 258 Upper H ARG 44 - HD1 TRP 72 4.73 6 0.26 1.00 + + +* + + peak 647 Upper HA ARG 44 - H ARG 48 4.99 9 0.30 0.83 ++ + +* ++ ++ peak 745 Upper HG3 ARG 44 - HZ2 TRP 72 5.39 9 0.27 1.05 +++ + +*+++ peak 199 Upper HD3 ARG 44 - HZ2 TRP 72 4.06 10 0.32 1.00 ++ *+ ++ ++++ peak 186 Upper HE ARG 44 - HD2 ARG 370 5.50 20 3.03 4.94 ++++*+++++++++++++++ peak 2600 Upper HE ARG 44 - HD3 ARG 370 5.41 20 2.86 4.22 ++++*+++++++++++++++ peak 2598 Upper HA LEU 45 - H CYS 49 4.31 20 1.49 2.49 ++++++*+++++++++++++ peak 759 Upper H ARG 46 - HB3 PHE 47 4.61 8 0.30 0.88 ++ ++ ++ *+ peak 662 Upper H ARG 46 - QD2 LEU 68 4.30 17 0.90 1.61 ++++++++++++ +++* + peak 668 Upper HA ARG 46 - H CYS 49 4.61 10 0.31 0.90 ++*+ + ++ + ++ peak 757 Upper HA ARG 46 - HB2 CYS 49 5.42 11 0.49 1.12 + ++++ ++ *+++ peak 2002 Upper HA ARG 46 - HB3 CYS 49 4.88 11 0.48 1.23 + ++++ ++ ++ *+ peak 2003 Upper QB ARG 46 - QD2 LEU 68 2.93 8 0.30 1.04 ++ + +++ * + peak 2505 Upper HA PHE 47 - QD2 LEU 65 5.44 9 0.32 1.00 ++++ + +*++ peak 2379 Upper QD PHE 47 - QD1 LEU 65 3.95 10 0.30 0.97 ++*+ + + ++++ peak 304 Upper QD PHE 47 - H ARG 70 4.68 20 1.59 3.15 +++++++++++++++++*++ peak 97 Upper QD PHE 47 - QG1 VAL 88 5.50 9 0.36 1.19 + + ++ ++ + +* peak 2761 Upper QD PHE 47 - QG2 VAL 88 4.17 12 0.39 1.17 ++ ++ + + *++ +++ peak 3165 Upper QE PHE 47 - QD2 LEU 62 5.32 15 1.25 2.51 +++ ++++ + ++ +*+++ peak 2310 QE PHE 47 - QD2 LEU 362 Upper QE PHE 47 - HG LEU 65 4.46 7 0.30 1.34 + ++ + + *+ peak 317 Upper QE PHE 47 - QD2 LEU 65 4.09 7 0.19 0.55 + ++ ++ *+ peak 319 Upper QE PHE 47 - QG1 VAL 88 4.50 6 0.17 0.83 + ++ ++ * peak 2762 H GLU 67 - QG1 VAL 88 Upper QE PHE 47 - H GLU 90 4.61 6 0.21 1.00 + ++ +* + peak 402 Upper HZ PHE 47 - QD2 LEU 65 5.21 7 0.29 1.29 +* ++ + ++ peak 291 Upper HZ PHE 47 - H CYS 69 4.68 20 1.33 1.80 +++++*++++++++++++++ peak 86 Upper HZ PHE 47 - HA CYS 69 4.80 17 0.72 1.44 ++ +++++++*+ + +++++ peak 285 Upper HZ PHE 47 - HB2 LEU 87 4.79 6 0.17 0.47 + + + +* + peak 290 HZ PHE 47 - HB VAL 88 Upper HZ PHE 47 - HG LEU 87 4.34 15 0.60 1.34 *+++++ + ++ ++++ + + peak 3099 H LEU 86 - HG LEU 87 Upper HZ PHE 47 - QD1 LEU 87 5.27 11 0.69 2.32 ++ ++++ * ++ + + peak 8274 Upper HZ PHE 47 - QG1 VAL 88 3.76 20 1.38 2.13 +++++++++++++++++*++ peak 293 Upper HZ PHE 47 - QG2 VAL 88 3.73 17 1.06 1.98 +++ ++++++ +*++++++ peak 294 Upper H PHE 50 - QD1 LEU 68 5.50 8 0.27 0.77 +++ + ++ + * peak 2509 Upper HA PHE 50 - HB3 HIS 51 5.23 6 0.13 0.40 +*++ ++ peak 2038 Upper HB2 PHE 50 - QD1 LEU 68 4.88 11 0.65 2.14 ++++ +++++*+ peak 2013 Upper HB3 PHE 50 - QD1 LEU 68 5.02 13 0.79 2.28 +++++ ++ +++*++ peak 2009 Upper HB3 PHE 50 - QB ALA 95 4.79 6 0.32 2.16 *+++ + + peak 2008 Upper QD PHE 50 - HB3 GLN 64 3.90 9 0.35 1.35 * + ++++ + + + peak 276 Upper QD PHE 50 - HG LEU 65 3.49 11 0.36 1.02 + + ++ + *++++ + peak 283 Upper QD PHE 50 - QD1 LEU 68 3.16 16 1.33 2.28 + ++*++ + +++++++++ peak 279 Upper QD PHE 50 - QB ALA 95 3.01 7 0.37 1.43 ++++ * + + peak 278 Upper QD PHE 50 - QB ALA 395 3.02 20 3.32 6.54 +++++++++++++*++++++ peak 8165 Upper QE PHE 50 - QB TYR 52 4.30 8 0.20 0.70 *++ ++ ++ + peak 262 Upper QE PHE 50 - H GLU 53 5.50 9 0.33 1.87 +++++ +*+ + peak 797 Upper QE PHE 50 - QG GLU 53 3.80 8 0.23 0.80 +*++ + + ++ peak 265 QE PHE 50 - HB3 GLN 64 Upper QE PHE 50 - QG GLU 53 5.50 7 0.32 1.89 + ++*+ + + peak 2090 Upper QE PHE 50 - QB ALA 61 3.28 9 0.31 0.82 + *+ ++ ++++ peak 266 Upper QE PHE 50 - HG LEU 65 4.06 10 0.39 1.44 * ++ + + + +++ + peak 270 Upper QE PHE 50 - QB ALA 95 4.11 6 0.22 0.93 ++*+ + + peak 267 QB ALA 95 - QE PHE 350 Upper QE PHE 50 - QB ALA 95 4.10 6 0.22 0.94 ++*+ + + peak 1723 QE PHE 50 - QB ALA 395 Upper QE PHE 50 - HA GLN 359 5.50 7 0.39 2.02 + +++ ++ * peak 84 QE PHE 350 - HA PHE 392 Upper QE PHE 50 - QB ALA 395 3.34 14 2.22 4.97 +++++ ++++++ * ++ peak 8164 Upper H HIS 51 - HD2 HIS 51 4.38 13 0.42 1.04 +* ++++ ++ +++++ peak 320 Upper HB2 HIS 51 - HB3 GLU 360 4.80 20 4.41 5.78 ++++++++++++++++++*+ peak 2049 Upper HB3 HIS 51 - HB2 GLU 360 4.56 20 3.51 5.54 ++++++++++++++++++*+ peak 2043 Upper HB3 HIS 51 - HB3 GLU 360 4.63 20 3.24 4.87 *+++++++++++++++++++ peak 2044 Upper HD2 HIS 51 - HA GLU 53 4.58 19 0.70 1.69 ++ ++*++++++++++++++ peak 67 Upper HE1 HIS 51 - HA GLU 53 4.36 15 0.95 2.25 +++ ++++ +++ +*+++ peak 64 Upper HE1 HIS 51 - HB2 GLU 53 5.00 12 0.35 0.87 + +++ + ++ ++*++ peak 259 Upper HE1 HIS 51 - QG GLU 53 3.86 6 0.13 0.46 + + ++ * + peak 258 Upper H TYR 52 - QB ALA 95 3.69 6 0.29 1.32 * + +++ + peak 1727 Upper H TYR 52 - HG LEU 96 5.22 18 1.83 3.67 ++++++++ ++*+++++++ peak 793 Upper H TYR 52 - HD2 PRO 97 5.06 10 0.38 0.97 ++++ ++ ++*+ peak 789 Upper H TYR 52 - HB3 GLU 360 5.36 16 2.18 4.24 ++++++++ + *+ +++++ peak 794 H TYR 352 - HB3 PRO 397 Upper QB TYR 52 - H ALA 95 5.45 6 0.28 1.38 + ++ ++ * peak 1114 QB TYR 52 - H ALA 395 Upper QB TYR 52 - HD3 PRO 97 5.32 6 0.16 0.93 ++++ * + peak 3382 Upper QB TYR 52 - HD3 PRO 358 4.82 6 0.28 1.27 *++ + + + peak 2061 QB TYR 352 - HD2 PRO 397 Upper QB TYR 52 - QB ALA 395 4.18 12 1.16 2.92 ++++ ++*++ ++ + peak 2059 Upper QB TYR 52 - QD2 LEU 396 4.18 20 2.58 3.74 +++++++*++++++++++++ peak 8179 Upper QD TYR 52 - QG GLU 53 4.58 10 0.39 0.82 + + + ++ *++++ peak 2088 Upper QD TYR 52 - QG GLU 54 3.32 19 1.25 1.82 ++++++*++++++++ ++++ peak 243 Upper QD TYR 52 - QB ALA 61 2.84 17 0.91 1.71 ++++ + +++++ ++++++* peak 244 Upper QD TYR 52 - QG2 VAL 119 3.77 18 1.47 2.64 + ++++++++++++++++* peak 250 Upper QD TYR 52 - QB ALA 395 3.68 9 1.47 3.42 ++++ +++ + * peak 8175 Upper QD TYR 52 - QD2 LEU 396 3.70 20 2.02 2.80 +++++++*++++++++++++ peak 8183 Upper QD TYR 52 - QD1 ILE 400 4.11 20 2.50 3.12 +++++++++++*++++++++ peak 8115 Upper QE TYR 52 - QG GLU 53 5.50 15 0.59 1.03 + ++++++ +++++*++ peak 2087 Upper QE TYR 52 - QB GLU 54 3.38 9 0.22 0.71 + +* +++ ++ + peak 232 QE TYR 52 - HB3 PRO 58 Upper QE TYR 52 - QG2 THR 56 4.64 10 0.31 1.14 +++++ * + ++ + peak 236 Upper QE TYR 52 - HA PRO 58 3.75 9 0.48 1.89 + *+ ++ ++ + + peak 46 Upper QE TYR 52 - HB2 PRO 58 4.29 11 0.47 1.50 + +* +++++ ++ + peak 230 Upper QE TYR 52 - HD2 PRO 58 3.48 7 0.43 1.58 + + + + ++ * peak 48 Upper QE TYR 52 - QE PHE 92 4.04 20 2.50 3.63 ++++++++++*+++++++++ peak 109 Upper QE TYR 52 - QD1 LEU 96 4.57 7 0.26 1.12 + ++ ++* + peak 239 Upper QE TYR 52 - QG1 VAL 119 5.13 11 0.40 1.00 + + ++ +*+ +++ + peak 3975 Upper QE TYR 52 - QG2 VAL 119 3.49 13 0.68 1.91 + + +++*+++ +++ + peak 238 Upper QE TYR 52 - QD ARG 123 5.50 9 0.41 1.53 + ++ + + +*+ + peak 4040 Upper QE TYR 52 - QB ALA 395 4.34 12 1.57 3.80 +*+++ ++++ ++ + peak 8176 Upper QE TYR 52 - QD2 LEU 396 3.90 17 1.41 2.55 +++++++++++++*+ + + peak 8182 Upper QE TYR 52 - QD1 ILE 400 3.73 20 1.76 2.69 +*++++++++++++++++++ peak 8114 Upper QE TYR 52 - QG2 VAL 419 3.65 20 2.04 4.10 +++++++++++*++++++++ peak 8189 Upper HB2 GLU 53 - QB ALA 55 3.99 7 0.21 1.00 + ++ ++ * + peak 1709 Upper HB2 GLU 53 - QG2 THR 56 4.95 11 0.54 1.51 ++++ + + +++*+ peak 2582 Upper HB3 GLU 53 - QG2 THR 56 4.16 8 0.38 1.00 + * + +++++ peak 2081 Upper QG GLU 53 - HA GLU 54 5.50 6 0.15 0.55 + ++ * ++ peak 2085 QG GLU 53 - HD2 PRO 97 Upper HA GLU 54 - H GLY 57 3.90 15 1.01 2.49 +++++++ ++ +++*++ peak 821 Upper QG GLU 54 - H GLY 57 5.50 16 0.82 1.64 ++++++++++ +++*++ peak 825 Upper QG GLU 54 - QD ARG 123 4.05 14 0.95 2.10 ++ ++++ ++++++*+ peak 4028 Upper H ALA 55 - QG2 THR 56 4.48 7 0.34 1.29 + *+ + + + + peak 812 Upper H ALA 55 - QD ARG 123 5.50 6 0.20 0.97 * + + + ++ peak 4042 H ASP 120 - QD ARG 123 Upper QB ALA 55 - HB THR 56 3.91 7 0.44 1.82 ++++ * + + peak 8150 Upper QB ALA 55 - H GLY 57 4.80 6 0.20 0.78 * + + ++ + peak 826 Upper HA THR 56 - HB3 GLU 60 5.04 15 0.95 1.95 +++++ + +*+ ++ ++ ++ peak 2109 Upper HA THR 56 - HG3 GLU 60 5.50 6 0.26 1.57 + + + ++ * peak 2108 Upper HB THR 56 - HB3 GLU 60 4.82 14 1.01 2.66 +*++ ++ +++++++ + peak 2102 Upper HB THR 56 - HG2 GLU 60 5.27 7 0.35 1.51 + * + + + ++ peak 2104 Upper HB THR 56 - HG3 GLU 60 4.34 10 0.42 1.65 +++ + + *+++ + peak 2105 Upper QG2 THR 56 - H GLU 60 4.48 7 0.23 0.98 + +* + ++ + peak 1776 Upper QG2 THR 56 - H ALA 61 4.33 8 0.29 1.06 + + *+ + ++ + peak 894 Upper QG2 THR 56 - QB ALA 61 3.54 8 0.60 2.30 + + + +++ *+ peak 1600 Upper QG2 THR 56 - HE21 GLN 64 4.60 10 0.53 1.72 + + +* ++ ++ ++ peak 1772 Upper QG2 THR 56 - HE22 GLN 64 5.04 12 0.56 2.04 + + +++* ++ ++ ++ peak 928 Upper H GLY 57 - HE22 GLN 59 4.65 15 1.61 3.88 +++ +* + +++++++ ++ peak 399 Upper H GLY 57 - H GLU 60 5.50 9 0.38 1.40 +++ ++ + + * + peak 398 Upper HA2 GLY 57 - H GLN 59 4.60 14 0.55 1.34 +++ +++++ * +++ + + peak 831 H GLN 59 - HA ALA 117 Upper HA2 GLY 57 - H GLN 59 5.14 7 0.34 1.28 + +* + ++ + peak 2129 Upper HA3 GLY 57 - H GLN 59 5.50 9 0.32 1.04 + +* + +++ + + peak 170 Upper HA PRO 58 - H ALA 61 4.38 6 0.28 1.48 ++ * ++ + peak 872 Upper HA PRO 58 - H LEU 62 5.50 10 0.32 0.96 +* ++ + ++++ + peak 875 Upper HA PRO 58 - QE PHE 92 4.74 7 0.24 0.95 +++ +* + + peak 110 Upper HA PRO 58 - HZ PHE 92 4.37 12 0.66 1.79 ++++ + +++ + ++ * peak 116 Upper HB2 PRO 58 - H ALA 117 4.89 14 1.05 2.48 +++*+++ +++ ++ ++ peak 1290 Upper HB2 PRO 58 - H VAL 119 5.50 12 0.69 1.89 +*++ + +++ + ++ + peak 2171 Upper HB2 PRO 58 - HA ALA 416 4.33 20 3.01 4.53 ++++++*+++++++++++++ peak 8259 Upper HB2 PRO 58 - QB ALA 416 4.47 16 1.53 2.76 +++++++ +++*+++++ peak 8262 Upper HB3 PRO 58 - HZ PHE 92 4.28 8 0.41 1.46 ++++ *++ + peak 170 Upper HB3 PRO 58 - HA ALA 416 3.72 20 2.91 4.11 +++++++++*++++++++++ peak 8252 Upper HB3 PRO 58 - QB ALA 416 3.94 17 1.23 2.33 +++++*+++++++++++ peak 8257 Upper HG2 PRO 58 - QE PHE 92 4.05 14 0.69 1.38 ++++ +*++ + +++++ peak 157 QE PHE 92 - HB VAL 119 Upper HG2 PRO 58 - HZ PHE 92 3.74 19 2.03 3.98 ++++++++*+++ +++++++ peak 169 Upper HG2 PRO 58 - QB ALA 116 3.50 13 0.73 1.74 *++++ +++ ++++ + peak 1621 Upper HG2 PRO 58 - H ALA 117 4.41 13 0.64 1.57 ++++* + ++++ ++ + peak 1291 HG3 GLU 114 - H ALA 117 Upper HG2 PRO 58 - H ASP 120 3.27 12 0.36 0.87 + + +++++ + +*+ + peak 805 HB VAL 119 - H ASP 120 Upper HG2 PRO 58 - HB2 ASP 120 4.68 14 0.68 1.44 + +++++++ + +*+++ peak 1489 HB VAL 119 - HB2 ASP 120 Upper HG2 PRO 58 - HB3 ASP 120 3.92 20 1.59 3.95 ++++++++++*+++++++++ peak 1486 Upper HG2 PRO 58 - QD1 ILE 400 3.84 14 0.67 3.17 ++++ + + + ++ +++ +* peak 8117 Upper HG3 PRO 58 - QD1 ILE 400 3.84 15 1.03 3.83 ++++ + + +++ +++++* peak 8116 Upper HD2 PRO 58 - QG2 VAL 119 4.55 8 0.39 1.79 + + * + + + ++ peak 2145 Upper HD2 PRO 58 - QG2 VAL 119 4.07 7 0.33 1.47 ++ + * + ++ peak 1760 HA LEU 96 - QG2 VAL 119 Upper HD3 PRO 58 - HE21 GLN 59 4.69 6 0.28 1.85 ++ +++ * peak 843 Upper HD3 PRO 58 - QG2 VAL 119 3.84 15 1.39 3.07 +++++++ ++++ * ++ + peak 1758 Upper HD3 PRO 58 - HB3 LEU 396 4.27 12 0.99 2.89 +++++ + * + ++ ++ peak 8242 Upper H GLN 59 - HG2 GLN 59 3.43 17 0.71 1.32 ++ ++++ +*++ +++++++ peak 835 Upper H GLN 59 - H ALA 61 4.49 6 0.19 1.09 + + * + ++ peak 162 Upper H GLN 59 - HB2 LEU 62 5.50 11 0.56 1.52 *+++ + + + ++++ peak 2295 HB2 LEU 62 - H ALA 116 Upper H GLN 59 - HB2 LEU 62 5.50 16 0.98 1.91 *+++ ++ ++++++++++ peak 838 Upper H GLN 59 - QD2 LEU 362 4.27 16 1.27 3.13 + +++++ ++++ +++*++ peak 8218 Upper H GLN 59 - QB ALA 416 3.58 11 0.70 2.74 +++++ ++ ++ + * peak 8135 Upper HA GLN 59 - HB2 LEU 62 3.84 15 0.65 1.35 ++++ ++ ++*+ ++++ + peak 2198 Upper HA GLN 59 - H ALA 63 5.06 15 0.47 1.33 ++ +++++ * ++ +++++ peak 2216 HA GLN 59 - H ALA 117 Upper HA GLN 59 - QD2 LEU 362 3.40 9 0.59 1.98 + ++ + ++ + + * peak 8214 Upper QB GLN 59 - HA ALA 116 3.75 6 0.21 1.05 +*+ + + + peak 8118 HA ALA 115 - HB2 LEU 118 Upper QB GLN 59 - QB ALA 116 3.13 11 0.52 2.36 +++ +*+ +++++ peak 8137 Upper QB GLN 59 - H ALA 117 4.06 20 2.88 4.55 +++++*++++++++++++++ peak 1292 Upper HG2 GLN 59 - QD1 LEU 62 4.82 7 0.33 1.54 + ++ * +++ peak 2208 Upper HG2 GLN 59 - QB ALA 116 4.09 13 0.71 1.93 + ++*+ +++ ++++ + peak 2206 QB ALA 116 - HG2 GLN 359 Upper HG3 GLN 59 - H LEU 62 5.28 10 0.31 0.87 * ++ + ++ + + + + peak 880 H LEU 62 - HG3 GLN 64 H LEU 62 - HG2 GLU 113 Upper HG3 GLN 59 - H ALA 63 4.49 20 2.33 3.41 +++++*++++++++++++++ peak 896 H ALA 63 - HG2 GLU 113 Upper HG3 GLN 59 - QB ALA 116 3.59 14 1.29 2.78 *++++++ +++ + ++ + peak 1622 Upper HG3 GLN 59 - QB ALA 116 4.01 11 0.59 1.75 ++++ +++ * ++ + peak 2205 QB ALA 116 - HG3 GLN 359 Upper HE21 GLN 59 - HB2 LEU 396 4.41 12 0.60 2.03 +++++ +++ + + *+ peak 849 HE21 GLN 359 - QB ALA 417 Upper HE21 GLN 59 - HB3 LEU 396 4.94 7 0.28 1.59 + + + ++ *+ peak 851 Upper HE21 GLN 59 - HD2 PRO 397 5.07 7 0.25 1.11 + + + ++*+ peak 3428 HD2 PRO 97 - HE21 GLN 101 Upper HE22 GLN 59 - HA GLU 60 4.84 12 0.46 1.42 + + *++ ++ +++++ peak 868 HE22 GLN 59 - HA ALA 117 Upper H GLU 60 - HG3 GLU 60 3.52 20 0.84 1.30 +++++++++++++*++++++ peak 860 Upper HA GLU 60 - HG2 GLU 60 3.38 6 0.22 0.85 ++ * + ++ peak 2227 Upper HB2 GLU 60 - H ALA 61 3.44 10 0.33 1.05 *+ + + +++ + ++ peak 891 Upper HB2 GLU 60 - HB3 HIS 351 4.56 20 2.82 5.10 *+++++++++++++++++++ peak 2043 Upper HB3 GLU 60 - HE21 GLN 64 4.27 15 0.84 3.10 +++++ +*++ + +++++ peak 916 Upper HB3 GLU 60 - HE22 GLN 64 4.99 15 0.84 2.66 +++ + + *+++ ++++ ++ peak 925 Upper HB3 GLU 60 - HB2 HIS 351 4.80 19 2.53 5.11 *+++++ +++++++++++++ peak 2049 Upper HB3 GLU 60 - HB3 HIS 351 4.63 18 1.97 4.06 *+++ + +++++++++++++ peak 2044 Upper HB3 GLU 60 - H TYR 352 5.36 7 0.25 1.21 ++++ ++ * peak 794 H TYR 52 - HB3 PRO 97 Upper HG2 GLU 60 - HE21 GLN 64 4.05 7 0.45 2.19 ++ + * ++ + peak 2242 Upper HG3 GLU 60 - QB ALA 61 4.85 6 0.26 1.15 + + + + *+ peak 1606 Upper HG3 GLU 60 - HE21 GLN 64 3.61 14 0.56 1.76 + + ++ +++ +++++ +* peak 914 Upper HG3 GLU 60 - HE22 GLN 64 4.32 14 0.50 1.14 ++ ++++++ +*+++ + peak 923 Upper H ALA 61 - H ALA 63 3.31 19 0.78 2.15 ++ ++++++++++++++++* peak 178 Upper HA ALA 61 - HB2 GLN 64 4.97 11 0.51 1.65 + *+++ ++++ + + peak 2330 Upper HA ALA 61 - HG3 GLN 64 4.08 11 0.65 2.17 ++++++ *++++ peak 2349 Upper HA ALA 61 - H LEU 65 5.22 12 0.53 1.30 ++* + ++ +++++ + peak 207 Upper QB ALA 61 - HB2 LEU 65 4.14 18 1.58 2.78 + +++++++*+++++++++ peak 8142 Upper QB ALA 61 - QE PHE 92 3.31 13 1.03 3.28 ++++ + +*++ ++ + + peak 158 Upper QB ALA 61 - HZ PHE 92 4.16 14 1.25 3.72 ++++ + +*++ ++ ++ + peak 171 Upper QB ALA 61 - QD PHE 392 3.25 19 2.20 3.32 ++++*++++++++++++++ peak 8145 Upper QB ALA 61 - QE PHE 392 3.19 19 2.43 3.82 ++++++*++++++++++++ peak 8146 Upper H LEU 62 - HG LEU 62 3.15 13 0.49 1.14 ++*+ +++++ ++ + + peak 884 Upper H LEU 62 - HG2 GLN 64 5.50 13 0.51 1.48 ++++* ++++++++ peak 879 Upper H LEU 62 - QB ALA 116 5.50 9 0.31 1.05 + + +++* + + + peak 1661 H LEU 93 - QB ALA 116 H LEU 93 - QB ALA 416 Upper HA LEU 62 - H PHE 92 4.33 9 0.52 2.00 + + *++ + ++ + peak 428 Upper HB2 LEU 62 - H ALA 63 4.09 8 0.21 0.54 ++ ++ ++*+ peak 899 Upper HG LEU 62 - HG3 PRO 112 4.13 16 0.78 2.25 +++++ ++*+++ +++++ peak 3779 Upper HG LEU 62 - HG2 GLU 113 5.06 14 0.90 2.50 ++++ + ++*+++ ++ + peak 3840 Upper QD1 LEU 62 - HA PRO 112 4.48 6 0.18 0.74 ++ *++ + peak 3745 QD1 LEU 62 - HA PRO 412 Upper QD1 LEU 62 - HA GLU 113 3.95 10 0.51 2.10 + ++ + + * + + ++ peak 3837 Upper QD1 LEU 62 - H ALA 115 4.38 18 1.60 2.97 +++++++ *++++++++ ++ peak 8310 Upper QD1 LEU 62 - H ALA 116 4.44 13 0.63 1.82 ++++ * +++ + ++ ++ peak 978 Upper QD1 LEU 62 - HA ALA 116 4.63 11 0.77 3.13 ++++ * ++ + ++ + peak 3885 Upper QD1 LEU 62 - QB ALA 116 3.07 13 0.55 2.23 +++ * +++ ++++++ peak 1619 Upper QD1 LEU 62 - H ALA 117 5.50 19 1.18 2.41 ++++ ++++++++++*++++ peak 1299 Upper QD1 LEU 62 - QG1 VAL 388 3.35 17 1.13 2.89 +++++ +*+++++++ +++ peak 8300 Upper QD1 LEU 62 - HZ PHE 392 3.71 20 2.32 3.62 +++++++++++*++++++++ peak 8306 Upper QD1 LEU 62 - HB2 PRO 412 4.17 16 0.99 1.76 +++++ +* ++++++ +++ peak 8265 Upper QD1 LEU 62 - HB3 PRO 412 4.32 16 1.08 2.00 +*+++ +++++++++ + + peak 8267 Upper QD2 LEU 62 - H LEU 65 4.60 16 0.62 2.09 ++ + +++ + +++++++*+ peak 2315 Upper QD2 LEU 62 - HB2 LEU 65 5.01 12 0.87 2.70 +++++ +++ +++ * peak 2366 Upper QD2 LEU 62 - QD2 LEU 65 3.81 6 0.32 1.72 + + + +*+ peak 2374 Upper QD2 LEU 62 - H ARG 66 5.32 13 0.52 1.18 + +++ + +*+ +++++ peak 948 Upper QD2 LEU 62 - H VAL 88 5.13 15 0.64 1.31 +++ ++++*+++++ + + peak 1124 QD2 LEU 62 - H VAL 388 QD1 LEU 73 - H VAL 88 Upper QD2 LEU 62 - H VAL 88 5.02 14 0.48 1.37 +++ +++ + + +++ ++ * peak 2316 QD2 LEU 62 - H GLU 113 Upper QD2 LEU 62 - QG1 VAL 88 3.06 10 0.51 2.12 + ++++ + +++ * peak 8207 Upper QD2 LEU 62 - H LEU 89 4.33 20 1.49 2.62 ++++++*+++++++++++++ peak 2314 H LEU 89 - QD2 LEU 362 Upper QD2 LEU 62 - H LEU 89 5.50 8 0.26 0.70 + ++ * ++ + + peak 1133 QD2 LEU 62 - H LEU 389 Upper QD2 LEU 62 - HA LEU 89 5.24 10 0.31 0.79 ++ + +* + ++ + + peak 3177 QD2 LEU 62 - HA LEU 389 Upper QD2 LEU 62 - H GLN 91 5.50 13 0.68 1.53 +*+++ +++ +++++ peak 2312 H GLN 91 - QD2 LEU 362 QD2 LEU 62 - H ALA 115 Upper QD2 LEU 62 - H PHE 92 4.60 13 0.68 2.03 +++++ +++ ++*++ peak 2317 H PHE 92 - QD2 LEU 362 Upper QD2 LEU 62 - HB2 PHE 92 3.90 9 0.37 1.62 ++ + + + ++*+ peak 2268 HB2 PHE 92 - QD2 LEU 362 QD2 LEU 62 - HB3 PHE 92 HB3 PHE 92 - QD2 LEU 362 Upper QD2 LEU 62 - HB3 PHE 92 4.03 10 0.43 1.75 ++ + + + ++*+ + peak 8212 HB3 PHE 92 - QD2 LEU 362 Upper QD2 LEU 62 - HA PRO 112 4.60 15 0.50 1.04 +++*++++++ ++++ + peak 3746 QD2 LEU 62 - HA PRO 412 Upper QD2 LEU 62 - HB2 PRO 112 3.51 16 0.56 1.96 +++++++ +++ +++ ++ * peak 8210 Upper QD2 LEU 62 - HG2 PRO 112 4.88 9 0.39 1.75 ++ + ++ + + + * peak 3749 Upper QD2 LEU 62 - HG3 PRO 112 4.18 18 1.22 2.16 +++++++++++ ++++++ * peak 3747 Upper QD2 LEU 62 - H GLU 113 4.84 19 0.99 1.74 ++++++++++++++++++ * peak 1275 Upper QD2 LEU 62 - HA GLU 113 4.95 12 0.37 1.28 + +++++ + + *+ + + peak 8156 QD2 LEU 62 - HA GLU 413 Upper QD2 LEU 62 - HG3 GLU 113 5.50 11 0.38 1.07 + ++++ + + * ++ + peak 3834 QD2 LEU 62 - HG3 GLU 413 Upper QD2 LEU 62 - QB ALA 115 4.41 20 1.51 3.32 +++++++++++++++++++* peak 1678 Upper QD2 LEU 62 - H ALA 116 5.50 17 0.77 1.94 *++++++++++++++++ peak 977 Upper QD2 LEU 62 - HA ALA 116 5.50 15 0.90 2.14 ++*+++ +++ ++++ ++ peak 3886 Upper QD2 LEU 62 - QB ALA 116 3.42 20 1.24 1.86 +++*++++++++++++++++ peak 8208 Upper QD2 LEU 62 - H GLN 359 4.27 18 1.74 3.80 + +++++++++++++++*+ peak 8218 Upper QD2 LEU 62 - HA GLN 359 3.40 13 1.53 3.27 +++++ ++ ++++*+ peak 8214 Upper QD2 LEU 62 - QD PHE 392 3.39 8 0.63 2.58 ++++ +++ * peak 8215 Upper QD2 LEU 62 - QE PHE 392 3.80 17 0.91 2.14 ++++++ ++++++* ++++ peak 8216 Upper QD2 LEU 62 - HB2 PRO 412 3.97 18 1.22 2.29 ++++++++++ ++*++++ + peak 8264 Upper QD2 LEU 62 - HB3 PRO 412 4.14 19 1.53 3.08 +++++++++++++*++++ + peak 8266 Upper QD2 LEU 62 - HG3 PRO 412 4.00 20 2.65 3.85 +++++++*++++++++++++ peak 8268 Upper HA ALA 63 - H ARG 66 3.72 11 0.52 1.56 ++ ++++ + *+++ peak 213 Upper QB ALA 63 - H LEU 65 4.00 10 0.33 1.04 +++ +++ + ++ * peak 1698 Upper QB ALA 63 - HA GLU 113 4.25 18 1.12 2.04 +++++++++++++*++++ peak 1696 HA GLU 113 - QB ALA 117 Upper QB ALA 63 - HG2 GLU 113 4.83 20 3.91 5.37 +++++*++++++++++++++ peak 3841 Upper H GLN 64 - H ARG 66 4.85 6 0.24 1.07 +++ + *+ peak 208 Upper HA GLN 64 - HE22 GLN 64 5.50 7 0.23 0.78 + + + ++ *+ peak 394 Upper HA GLN 64 - HG3 GLU 67 5.50 12 0.42 1.27 +++ + + ++ *++ ++ peak 2453 Upper HG2 GLN 64 - QD1 LEU 68 4.76 20 1.08 2.09 +++++++++++++++++++* peak 2497 Upper HG3 GLN 64 - H LEU 65 4.27 11 0.52 1.33 ++ + ++ +++*++ peak 2352 Upper HG3 GLN 64 - QD1 LEU 68 4.78 19 0.86 1.72 ++++ ++++++++++++++* peak 2499 Upper HB2 LEU 65 - QG1 VAL 88 4.50 8 0.47 1.77 +*+ ++ ++ + peak 2365 Upper HB2 LEU 65 - QG1 VAL 88 3.20 7 0.22 0.52 + ++ +* + + peak 3146 QB GLU 76 - QG1 VAL 77 Upper HB3 LEU 65 - QG1 VAL 88 3.97 8 0.36 1.54 +*+ ++ ++ + peak 2364 Upper QD1 LEU 65 - H GLU 67 5.50 9 0.33 1.72 ++++ + * +++ peak 957 Upper QD1 LEU 65 - H PHE 92 3.71 6 0.21 0.84 + + + *+ + peak 1170 Upper QD1 LEU 65 - HA PHE 92 3.38 9 0.48 1.76 ++ + + + * ++ + peak 2394 Upper QD1 LEU 65 - HB2 PHE 92 4.42 14 0.74 2.48 +++ +++++++ * ++ + peak 8286 Upper QD1 LEU 65 - QD PHE 92 4.25 9 0.29 1.23 + + ++ + * ++ + peak 2395 Upper QD1 LEU 65 - QB ALA 95 3.86 14 0.64 2.04 ++ + +++ *++++++ + peak 1712 Upper QD1 LEU 65 - HG2 PRO 112 4.58 14 0.69 1.51 ++*+ + ++++ ++ ++ + peak 3790 Upper QD1 LEU 65 - QG1 VAL 388 3.65 16 1.59 3.67 +++++++ ++++ *++++ peak 8282 Upper QD1 LEU 65 - HG2 GLN 391 4.15 10 1.73 4.51 ++++ +*+ + + + peak 8284 Upper QD1 LEU 65 - QD PHE 392 3.30 20 3.20 4.14 ++++++++++*+++++++++ peak 8289 Upper QD2 LEU 65 - H GLN 91 4.71 12 0.62 2.00 +*++++ +++ + ++ peak 1153 Upper QD2 LEU 65 - HA PHE 92 4.63 6 0.18 0.85 +++ *+ + peak 3229 Upper QD2 LEU 65 - QD PHE 92 4.14 14 0.82 2.01 +++ + ++*+ +++++ + peak 2402 Upper QD2 LEU 65 - QB ALA 95 3.89 6 0.32 1.35 +*+ ++ + peak 8295 Upper QD2 LEU 65 - HG3 GLN 391 3.85 16 2.21 5.31 +++++ ++*++ +++ +++ peak 8294 Upper H ARG 66 - QG1 VAL 88 3.88 14 0.52 1.58 ++++ ++ ++ *++ +++ peak 945 Upper HA ARG 66 - QG1 VAL 88 4.33 14 0.52 1.03 ++++++++ + * ++++ peak 3845 Upper HA ARG 66 - QB LEU 384 4.22 13 1.32 3.07 + ++++ +* ++++++ peak 8248 Upper QB ARG 66 - QG1 VAL 88 3.19 17 1.20 2.26 +++++*++ + ++ ++++++ peak 3147 Upper QG ARG 66 - QB GLU 67 4.09 6 0.23 1.30 +* + + + + peak 2462 Upper QG ARG 66 - HG3 GLU 67 5.50 12 0.64 1.64 +++ *+ ++++ + + + peak 2459 Upper QG ARG 66 - QG1 VAL 88 3.73 11 0.88 2.35 +++ * ++++ + ++ peak 8198 Upper HD2 ARG 66 - H GLU 67 5.01 6 0.17 0.89 + * + + + + peak 949 Upper HD2 ARG 66 - QG2 VAL 88 4.03 7 0.34 1.43 + + + * + + + peak 3150 Upper H GLU 67 - QD2 LEU 68 4.55 20 0.97 1.90 +++++++++++++++++*++ peak 956 Upper H GLU 67 - H ARG 70 4.29 20 1.25 1.95 +++++++++++++++++*++ peak 195 HZ2 TRP 72 - H ARG 370 Upper HA GLU 67 - HG3 ARG 70 4.93 18 0.80 1.75 + ++++++ ++*++++++++ peak 2596 Upper HA GLU 67 - HD2 ARG 70 4.31 19 0.89 1.68 +*+++++++++++++++ ++ peak 2593 Upper HA GLU 67 - HD3 ARG 70 5.50 15 0.61 1.76 +*++ +++++++ ++ ++ peak 2591 Upper HA GLU 67 - HZ2 TRP 372 4.79 9 1.61 4.35 +++* +++ + + peak 138 Upper QB GLU 67 - QD2 LEU 68 4.06 8 0.43 1.57 + + *++ + + + peak 2463 Upper HG3 GLU 67 - HG2 GLN 71 5.11 9 0.28 0.96 ++ +* ++++ + peak 2452 Upper H CYS 69 - QG2 VAL 88 3.68 20 1.36 2.28 *+++++++++++++++++++ peak 8235 Upper HA CYS 69 - H TRP 72 4.82 6 0.19 0.66 + ++ ++ * peak 247 Upper HA CYS 69 - HZ3 TRP 72 4.26 10 0.38 1.30 ++++ +* ++ ++ peak 213 Upper HA CYS 69 - HB3 LEU 73 4.04 20 1.66 2.50 ++++++++*+++++++++++ peak 2555 Upper HB2 CYS 69 - HB3 LEU 73 4.59 6 0.32 1.49 ++ * + + + peak 8276 Upper HB2 CYS 69 - QB LEU 84 5.50 17 0.64 1.22 ++++++++++++ +++ +* peak 3005 Upper HB2 CYS 69 - QD1 LEU 84 3.84 16 0.90 1.63 ++ ++++++ +++++* ++ peak 3002 HG2 MET 83 - QD1 LEU 84 Upper HB3 CYS 69 - HB3 LEU 73 4.33 12 0.85 2.28 +*+ + ++++ ++ + + peak 2562 Upper H ARG 70 - HD3 ARG 70 5.50 7 0.21 0.56 * + ++ + ++ peak 2597 Upper H ARG 70 - HB3 LEU 73 4.51 11 0.40 0.68 +*+ ++ +++ +++ peak 991 Upper H ARG 70 - QB LEU 84 4.47 20 1.74 2.59 ++++++++++++*+++++++ peak 8249 Upper H ARG 70 - QD1 LEU 84 3.42 20 1.50 2.17 +*++++++++++++++++++ peak 8321 H LEU 73 - QD1 LEU 84 Upper HA ARG 70 - QG ARG 74 4.40 9 0.28 0.83 *++ ++++ + + peak 2655 Upper HA ARG 70 - HD2 PRO 75 4.71 19 0.90 1.71 ++++++++*++++++++ ++ peak 2687 Upper HA ARG 70 - HD3 PRO 75 4.12 19 0.73 1.46 ++++++++*++++++++ ++ peak 2688 Upper HA ARG 70 - QD1 LEU 84 3.85 15 0.68 1.30 ++*+ +++ ++++++++ peak 2996 Upper QB ARG 70 - HB3 LEU 373 4.19 9 0.36 1.16 ++*+ +++ + + peak 2573 QB ARG 370 - QD1 LEU 384 Upper HG2 ARG 70 - QD1 LEU 84 3.58 20 1.41 2.18 ++++++++++++++++*+++ peak 2574 Upper HG3 ARG 70 - HD2 PRO 75 4.78 17 0.72 2.55 +++++++*+++++++++ peak 2682 Upper HG3 ARG 70 - HD3 PRO 75 4.83 13 0.59 1.78 + ++++* ++ +++++ peak 2678 Upper HG3 ARG 70 - HB3 LEU 373 3.90 9 0.65 2.31 ++++ *++ + + peak 2572 Upper HD2 ARG 70 - H GLN 71 4.77 6 0.14 0.67 +* +++ + peak 274 Upper HD2 ARG 70 - H ARG 74 5.50 17 0.70 1.68 + ++ ++* +++++++++++ peak 2606 Upper HD2 ARG 70 - HE ARG 344 5.50 15 1.10 2.40 +*+++++ +++++++ + peak 2600 Upper HD2 ARG 70 - HZ2 TRP 372 4.74 14 0.73 1.67 +*+++ ++++ ++ + ++ peak 2601 Upper HD3 ARG 70 - H GLN 71 5.04 9 0.31 1.19 ++++ *++ + + peak 273 H GLN 71 - HD3 PRO 75 Upper HD3 ARG 70 - H ARG 74 5.50 14 0.75 2.07 + ++++++ ++ +++* + peak 2605 Upper HD3 ARG 70 - HE ARG 344 5.41 12 0.96 2.82 ++++ ++++* ++ + peak 2598 Upper HD3 ARG 70 - HZ2 TRP 372 5.08 15 0.65 2.09 *++ +++++++++ + ++ peak 2602 Upper HD3 ARG 70 - HB3 LEU 373 4.58 6 0.23 0.95 +++ + + * peak 2567 Upper H GLN 71 - QG ARG 74 4.17 17 1.04 1.97 ++++++++++* +++ ++ + peak 286 Upper H GLN 71 - QD1 LEU 84 4.66 20 2.79 3.52 ++*+++++++++++++++++ peak 277 Upper H TRP 72 - QD2 LEU 73 5.50 8 0.23 0.66 + ++ + *+ ++ peak 1341 Upper H TRP 72 - QG1 VAL 377 4.08 20 2.98 4.52 +*++++++++++++++++++ peak 8204 Upper HA TRP 72 - HD1 TRP 72 3.68 20 0.88 1.33 +++++++++++++++++*++ peak 50 Upper HB2 TRP 72 - HZ3 TRP 72 5.00 11 0.43 1.05 + ++++ ++ + +* + peak 212 Upper HB2 TRP 72 - H ARG 74 5.50 15 0.57 1.38 +++++ ++*++ ++ + ++ peak 2647 Upper HB3 TRP 72 - H ARG 74 5.50 16 0.86 1.67 +++++ ++*++ ++++ ++ peak 993 Upper HD1 TRP 72 - HB3 LEU 73 4.09 20 1.17 1.85 +++++++++++++*++++++ peak 224 Upper HE3 TRP 72 - QD1 LEU 87 4.42 12 0.53 1.69 ++++ +++ +++*+ peak 3094 Upper HE3 TRP 72 - QD2 LEU 387 4.19 20 1.77 3.06 ++++++++++++*+++++++ peak 8228 Upper HZ2 TRP 72 - HA GLU 367 4.79 20 5.71 8.13 ++++++++++++++++++*+ peak 138 Upper HZ2 TRP 72 - HD2 ARG 370 4.74 20 2.09 4.19 ++++*+++++++++++++++ peak 2601 Upper HZ2 TRP 72 - HD3 ARG 370 5.08 19 1.33 2.67 ++++*++++ ++++++++++ peak 2602 Upper HZ2 TRP 72 - QD2 LEU 387 3.94 12 1.46 3.24 +++* + +++ + ++ + peak 8227 Upper HH2 TRP 72 - HB2 LEU 86 5.00 11 1.45 3.90 ++++ ++ +++*+ peak 3074 Upper HH2 TRP 72 - HA LEU 87 3.94 8 0.49 2.45 + ++ + ++*+ peak 120 Upper HH2 TRP 72 - QD2 LEU 87 3.22 7 0.21 0.63 + ++ ++* + peak 204 QD2 LEU 87 - HH2 TRP 372 Upper HH2 TRP 72 - QD2 LEU 87 3.30 7 0.28 1.05 + ++ *++ + peak 3090 Upper H LEU 73 - HD2 PRO 75 4.79 20 1.74 2.42 +++++++++++++++++*++ peak 2707 Upper H LEU 73 - HD3 PRO 75 5.50 9 0.32 1.04 + + ++ ++++ * peak 2703 Upper H LEU 73 - QE MET 83 4.12 13 0.45 0.98 ++ ++ +++ * +++ ++ peak 8128 Upper HB2 LEU 73 - HD3 PRO 75 4.80 12 0.55 1.29 + ++++ ++ +++*+ peak 2679 Upper HB2 LEU 73 - H MET 83 4.91 12 0.54 1.63 + +++ +* + + + +++ peak 1076 Upper HB3 LEU 73 - QB ARG 370 4.19 20 0.78 1.52 +++++++++++++++*++++ peak 2573 QB ARG 70 - QD1 LEU 84 Upper HB3 LEU 73 - HG3 ARG 370 3.90 20 3.10 5.41 +++++++++++++++++*++ peak 2572 Upper HB3 LEU 73 - HD2 ARG 370 4.45 11 1.29 2.64 ++++ *+ +++++ peak 2570 HD2 ARG 70 - QD1 LEU 84 Upper HB3 LEU 73 - HD3 ARG 370 4.58 11 1.66 3.80 ++++ ++ +++*+ peak 2567 Upper HG LEU 73 - QE MET 83 2.71 8 0.53 1.60 ++ + +*+ + + peak 8122 Upper HG LEU 73 - QD2 LEU 387 3.11 20 2.29 3.61 +++++++++++++++*++++ peak 8229 Upper QD1 LEU 73 - H MET 83 5.50 13 0.48 1.34 + ++++ ++ * + ++ ++ peak 1073 Upper QD1 LEU 73 - HG LEU 84 3.89 8 0.37 1.36 ++++ *++ + peak 2993 QD1 LEU 73 - HG LEU 384 Upper QD1 LEU 73 - H LEU 86 5.50 13 0.54 1.43 ++++ + +++++* + + peak 1100 Upper QD1 LEU 73 - HB2 LEU 87 5.50 7 0.30 1.04 ++* + + + + peak 3130 Upper QD1 LEU 73 - QD1 LEU 87 2.92 9 0.47 2.18 + + + * + ++++ peak 3115 Upper QD1 LEU 73 - QG1 VAL 377 3.02 20 1.85 2.90 *+++++++++++++++++++ peak 8196 Upper QD1 LEU 73 - QD1 LEU 384 2.73 19 1.22 2.62 ++++++++ ++++++*++++ peak 8312 Upper QD1 LEU 73 - HG LEU 387 3.40 20 1.87 3.34 ++*+++++++++++++++++ peak 8278 Upper QD1 LEU 73 - QD1 LEU 387 3.02 18 1.06 2.27 +++*++++++++++ + +++ peak 8270 Upper QD1 LEU 73 - QD2 LEU 387 3.53 6 0.19 0.61 ++ + * + + peak 8280 Upper QD2 LEU 73 - HB3 LEU 86 4.07 7 0.32 1.45 + + + *+ ++ peak 3065 Upper QD2 LEU 73 - HG LEU 86 4.96 7 0.21 0.70 + ++ + * + + peak 3066 QD2 LEU 73 - HG LEU 386 Upper QD2 LEU 73 - QD1 LEU 86 2.98 20 1.28 2.21 +++++++++*++++++++++ peak 3068 Upper QD2 LEU 73 - HA GLU 367 5.50 11 0.78 1.73 ++++ *+ +++++ peak 1785 QD2 LEU 373 - HA LEU 386 Upper QD2 LEU 73 - QD1 LEU 384 3.83 16 0.98 2.07 ++ +++++ +++ +*++++ peak 3067 Upper QD2 LEU 73 - QD2 LEU 386 3.93 19 2.43 3.63 +++++++++++++++ +++* peak 8187 Upper QD2 LEU 73 - QD1 LEU 387 3.74 12 0.54 1.67 + * ++ +++++ + ++ peak 8186 Upper H ARG 74 - H GLU 76 5.50 18 0.64 0.95 +++ +*++++ +++++++++ peak 305 Upper H ARG 74 - QG2 VAL 77 4.73 10 0.65 1.81 + + + ++ * +++ + peak 1739 Upper HA PRO 75 - HB2 LYS 80 3.45 8 0.68 2.25 +* ++ + + + + peak 2692 Upper QB PRO 75 - HB2 LYS 80 3.06 7 0.32 1.31 ++ +* + + + peak 2696 Upper HD2 PRO 75 - QD1 LEU 84 3.59 18 0.75 1.93 ++* +++++++++++++++ peak 3006 Upper HG2 GLU 76 - H ARG 78 5.48 8 0.18 0.52 ++ +++ *+ + peak 1023 Upper HG3 GLU 76 - QG2 VAL 77 4.71 7 0.23 0.59 +* + + + + + peak 8159 Upper H VAL 77 - QG2 VAL 77 3.09 8 0.31 0.80 + + + + ++* + peak 1737 Upper H VAL 77 - HB3 ARG 78 4.02 16 0.49 1.06 + ++ +++ +++++ *++++ peak 1019 Upper H VAL 77 - HG3 ARG 78 5.50 13 0.48 1.30 + ++ ++ + + +++*++ peak 2832 Upper H VAL 77 - QE MET 83 3.86 7 0.32 1.00 +* ++ + ++ peak 1018 Upper HB VAL 77 - HB3 ARG 78 4.22 12 0.80 1.71 +++*+ + +++ + + + peak 2776 Upper HB VAL 77 - HG2 ARG 78 3.66 11 0.31 1.48 ++*+ + ++ + + ++ peak 2775 HB VAL 77 - QE MET 83 Upper QG1 VAL 77 - H TRP 372 4.08 20 4.71 6.14 ++++++++++++*+++++++ peak 8204 Upper QG1 VAL 77 - QD1 LEU 373 3.02 20 2.27 3.33 +++*++++++++++++++++ peak 8196 Upper QG2 VAL 77 - H ARG 78 3.45 6 0.15 0.48 * + + ++ + peak 1738 Upper QG2 VAL 77 - HB3 ARG 78 3.59 8 0.34 1.10 + + + * +++ + peak 1729 Upper QG2 VAL 77 - H SER 79 4.86 8 0.41 1.27 * + + + +++ + peak 1036 Upper HB3 ARG 78 - HG2 MET 83 4.19 12 0.43 1.73 ++ +*+++ ++++ + peak 2946 Upper HB3 ARG 78 - HG3 MET 83 4.80 13 0.39 0.76 + +++ ++++ +++ *+ peak 2953 Upper H SER 79 - QG GLN 82 4.56 16 1.26 2.52 +++ +*+++++ + ++ +++ peak 2934 Upper H SER 79 - H MET 83 4.95 20 0.92 1.48 ++++++++++*+++++++++ peak 349 Upper HA LYS 80 - QE MET 83 3.75 7 0.22 0.82 ++ *+ + + + peak 1639 Upper HB2 LYS 80 - H GLU 81 3.89 10 0.27 0.67 + ++++ + + ++* peak 1049 Upper HB3 LYS 80 - H GLN 82 5.01 11 0.54 1.31 + ++++ + ++ ++* peak 1060 Upper QD LYS 80 - QD1 LEU 84 5.50 8 0.19 0.76 + ++ ++ * + + peak 2853 Upper H GLU 81 - QE MET 83 4.70 17 0.69 1.97 ++++++++++*+ + ++++ peak 1649 Upper HA GLU 81 - H LEU 84 4.96 7 0.29 0.88 ++++ + * + peak 2917 Upper H GLN 82 - HG2 GLU 85 4.26 15 0.53 0.91 ++ ++*++ ++++ ++++ peak 1057 Upper HA GLN 82 - H LEU 86 4.68 15 0.59 1.56 *+ + + ++++++++++ + peak 381 Upper H MET 83 - QE MET 83 4.03 9 0.32 1.17 ++++++ * + + peak 1648 Upper H MET 83 - QD1 LEU 84 4.21 10 0.42 1.15 ++++ ++ ++ *+ peak 1074 Upper H MET 83 - H GLU 85 4.69 9 0.22 0.93 ++*+ + ++ ++ peak 356 Upper HG2 MET 83 - QD1 LEU 84 5.19 6 0.23 1.01 ++ * ++ + peak 2948 HG2 MET 83 - QD1 LEU 87 Upper QE MET 83 - QD1 LEU 84 2.90 15 0.63 1.31 ++++ ++ ++++ + ++* + peak 1636 Upper HA LEU 84 - H VAL 88 5.03 18 0.83 1.50 +++++* ++++++++ ++++ peak 3020 Upper QB LEU 84 - HB2 LEU 87 4.16 10 0.38 1.35 +++++ + +*++ peak 3001 QB LEU 84 - HB VAL 88 Upper QB LEU 84 - H VAL 88 5.25 12 0.42 0.83 +++++ + + + + *++ peak 3015 H VAL 88 - QB LEU 384 Upper QB LEU 84 - HA ARG 366 4.22 13 2.54 5.06 +*++ +++ ++++++ peak 8248 Upper QB LEU 84 - HA LEU 386 4.19 20 2.84 5.72 ++*+++++++++++++++++ peak 3008 Upper QB LEU 84 - HB3 LEU 386 3.32 9 2.23 5.67 +*++ +++ + + peak 2999 Upper QD1 LEU 84 - QD1 LEU 373 2.73 9 0.50 1.82 ++*+ +++ + + peak 8312 Upper QD1 LEU 84 - QD2 LEU 373 3.83 9 0.61 2.14 ++*+ +++ + + peak 3067 Upper H GLU 85 - QG2 VAL 88 5.20 19 1.40 2.70 ++++++++ ++++++++++* peak 1089 Upper HA GLU 85 - QG1 VAL 88 3.76 17 1.07 2.38 *+++++ ++++++++++ + peak 3032 Upper HA GLU 85 - QG2 VAL 88 4.12 17 0.84 2.46 + ++++++ ++ +++++++* peak 3151 Upper QB GLU 85 - QG1 VAL 88 4.59 18 0.93 2.12 ++++++ ++++++++*+ ++ peak 3033 Upper H LEU 86 - H VAL 88 4.97 8 0.26 0.73 +* ++ + + ++ peak 362 Upper HA LEU 86 - QB LEU 384 4.19 20 4.93 6.17 +++++++++++++++++++* peak 3008 Upper HB3 LEU 86 - QB LEU 384 3.32 20 4.82 7.51 +++++++++++++++*++++ peak 2999 Upper HG LEU 86 - H LEU 87 4.46 7 0.23 0.82 *+ + + + + + peak 3076 Upper QD2 LEU 86 - HB2 LEU 87 4.41 9 0.45 1.50 ++ + ++ * + + + peak 3052 Upper QD2 LEU 86 - QD1 LEU 87 2.40 10 0.63 1.97 + + *+ + + +++ + peak 3049 Upper QD2 LEU 86 - QD2 LEU 373 3.93 20 2.44 4.42 +++*++++++++++++++++ peak 8187 Upper HA LEU 87 - QD2 LEU 87 3.16 15 0.52 0.95 + +++++ +++++++*+ peak 847 Upper HA LEU 87 - H GLU 90 4.59 13 0.76 1.71 *+++++ ++++ ++ + peak 407 Upper HA LEU 87 - QB GLU 90 5.15 8 0.34 1.14 *++++ + + + peak 3204 Upper HG LEU 87 - QD1 LEU 373 3.40 20 1.88 3.31 ++++++++*+++++++++++ peak 8278 Upper QD1 LEU 87 - H LEU 89 3.70 15 1.15 2.48 *+++++ ++++ +++ + + peak 1132 Upper QD1 LEU 87 - QD1 LEU 373 3.02 19 1.41 2.74 +++++++ +++*++++++++ peak 8270 Upper QD1 LEU 87 - QD2 LEU 373 3.74 9 0.53 2.61 ++++ +++ + * peak 8186 Upper QD2 LEU 87 - H GLU 90 4.96 20 1.97 2.93 +++*++++++++++++++++ peak 3092 Upper QD2 LEU 87 - HE3 TRP 372 4.19 20 1.49 2.62 +++++++++++++++++*++ peak 8228 Upper QD2 LEU 87 - HZ2 TRP 372 3.94 9 1.26 3.31 ++++ +++ + * peak 8227 Upper QD2 LEU 87 - HG LEU 373 3.11 20 1.86 3.02 ++++++++*+++++++++++ peak 8229 Upper QD2 LEU 87 - QD1 LEU 373 3.53 9 0.40 1.49 + ++ + *+ + ++ peak 8280 Upper QG1 VAL 88 - HB2 PRO 112 3.96 7 0.18 0.65 + + + *+ ++ peak 3794 Upper QG1 VAL 88 - QD1 LEU 362 3.35 20 1.77 3.37 ++++++++++++++++++*+ peak 8300 Upper QG1 VAL 88 - QD1 LEU 365 3.65 10 0.45 1.46 + + ++ + + + + +* peak 8282 Upper QG2 VAL 88 - HG2 PRO 112 3.54 18 1.11 2.45 +++ +++++++++++++*+ peak 3149 Upper QG2 VAL 88 - HG3 PRO 112 4.28 20 1.51 2.88 ++++++++++++++++++*+ peak 3778 Upper HB2 LEU 89 - HA PRO 112 4.85 15 0.81 2.34 *+++ + +++ ++ +++++ peak 3741 Upper HB3 LEU 89 - HG2 PRO 112 4.41 11 0.40 1.45 +* + ++ + +++++ peak 3787 Upper HG LEU 89 - H GLU 90 3.93 7 0.31 1.12 + +++ + +* peak 1145 Upper QD1 LEU 89 - H SER 111 3.73 16 0.64 1.43 ++++ ++++++ ++ +++* peak 1264 Upper QD2 LEU 89 - QD PHE 92 4.43 9 0.26 0.87 *++++ + + ++ peak 3200 Upper QD2 LEU 89 - HA PRO 112 3.38 8 0.33 1.36 * ++ + + + + + peak 3744 Upper QD2 LEU 89 - HG3 PRO 112 3.34 19 0.85 1.96 +++*+++++++++++++++ peak 3776 Upper QD2 LEU 89 - H GLU 114 4.90 10 0.32 1.07 ++ + * ++++ ++ peak 1279 Upper QD2 LEU 89 - H ALA 115 3.70 19 1.51 2.08 +*++++ +++++++++++++ peak 1287 Upper QD2 LEU 89 - QB ALA 115 4.07 11 0.44 1.35 *++ + ++ ++ + ++ peak 1680 Upper H GLN 91 - QD PHE 92 5.50 6 0.23 1.04 * + ++ + + peak 1149 QD PHE 92 - H GLN 391 Upper HA GLN 91 - HA2 GLY 94 4.01 7 0.62 2.50 *+++ ++ + peak 3220 Upper HA GLN 91 - H ALA 95 5.16 16 0.59 1.13 +++*++++ +++ ++ +++ peak 1860 Upper HA GLN 91 - H LEU 362 5.50 7 0.20 1.06 + + ++ + + * peak 1863 HA GLN 391 - H LEU 393 Upper HG2 GLN 91 - QD1 LEU 365 4.15 20 3.09 4.51 +++++++++*++++++++++ peak 8284 Upper HG3 GLN 91 - QD2 LEU 365 3.85 20 3.60 4.95 +*++++++++++++++++++ peak 8294 Upper QD PHE 92 - QD2 LEU 96 4.53 11 0.48 1.84 + + ++ ++++ * ++ peak 153 Upper QD PHE 92 - QG1 VAL 119 4.13 12 0.57 1.44 +*++ +++ + ++++ peak 151 Upper QD PHE 92 - QB ALA 361 3.25 18 2.03 3.32 ++++++++++++* +++++ peak 8145 Upper QD PHE 92 - QD2 LEU 362 3.39 19 1.75 2.66 +++++++++++*+++++++ peak 8215 Upper QD PHE 92 - QD1 LEU 365 3.30 20 2.64 3.55 ++++*+++++++++++++++ peak 8289 Upper QE PHE 92 - QD2 LEU 93 3.78 6 0.26 1.03 ++*+ + + peak 164 Upper QE PHE 92 - QB ALA 95 4.22 11 0.53 1.65 ++*+ ++ ++++ + peak 160 Upper QE PHE 92 - H VAL 119 4.57 11 0.48 1.17 +*++ +++ ++ ++ peak 131 Upper QE PHE 92 - QB ALA 361 3.19 16 1.74 3.36 ++++++++ + +* +++++ peak 8146 Upper QE PHE 92 - QD2 LEU 362 3.80 19 1.40 2.51 +++++++++++*+++++++ peak 8216 Upper HZ PHE 92 - QD2 LEU 96 4.18 9 0.35 1.37 ++ +++* + ++ peak 183 Upper HZ PHE 92 - HB VAL 119 4.66 14 0.68 2.13 + +++++++++++*+ peak 3966 Upper HZ PHE 92 - H ASP 120 5.50 19 1.09 2.30 ++++ +++++*+++++++++ peak 628 Upper HZ PHE 92 - QD1 LEU 362 3.71 20 2.95 4.60 ++++*+++++++++++++++ peak 8306 Upper HA LEU 93 - QB ALA 95 4.31 17 0.55 1.18 + ++++++++ *++++++ + peak 3274 Upper HA LEU 93 - H LEU 96 3.92 11 0.37 0.97 +++ * ++ +++ ++ peak 461 HA3 GLY 94 - H LEU 96 Upper HA LEU 93 - HG LEU 96 5.06 10 0.44 1.40 *++ ++++ + + + peak 3330 Upper HB3 LEU 93 - HE21 GLN 101 4.96 11 0.49 1.25 ++*+ + +++ + ++ peak 1199 Upper HG LEU 93 - QD1 LEU 96 4.90 12 0.52 1.31 ++++++ +*+ + ++ peak 3265 Upper QD1 LEU 93 - H GLY 94 4.17 16 0.52 1.14 +++* +++++++ ++ +++ peak 1179 Upper QD1 LEU 93 - H VAL 104 5.50 6 0.20 0.92 *+ + + + + peak 3299 QD1 LEU 93 - H ALA 115 H ALA 115 - QD1 LEU 393 Upper QD1 LEU 93 - HG3 PRO 109 3.46 14 0.43 0.97 ++ + ++ ++*+ +++++ peak 3270 Upper QD1 LEU 93 - HD3 PRO 109 4.08 6 0.18 0.63 + ++ *++ peak 3275 Upper QD2 LEU 93 - QD1 LEU 96 3.05 9 0.31 0.99 ++ + + +*+ ++ peak 3318 Upper H GLY 94 - HG2 GLN 101 5.10 7 0.37 1.52 + + * + + ++ peak 1174 Upper HA2 GLY 94 - HB2 LEU 96 5.50 10 0.58 1.69 +++ * + ++ + ++ peak 3340 HA3 GLY 94 - HB2 LEU 96 Upper QB ALA 95 - QD PHE 350 3.02 20 4.18 6.17 +++*++++++++++++++++ peak 8165 Upper QB ALA 95 - QE PHE 350 3.34 20 3.35 4.64 ++*+++++++++++++++++ peak 8164 Upper QB ALA 95 - QB TYR 352 4.18 16 1.46 3.89 ++++++ ++++++++ + * peak 2059 Upper QB ALA 95 - QD TYR 352 3.68 20 2.42 3.99 +++++++++++++++++++* peak 8175 Upper QB ALA 95 - QE TYR 352 4.34 20 2.95 3.86 +*++++++++++++++++++ peak 8176 Upper H LEU 96 - HG LEU 96 3.38 9 0.41 1.15 *++ + ++ + + + peak 1185 Upper H LEU 96 - HA GLN 101 4.86 14 0.80 1.66 +++++++++ +*+++ peak 462 Upper H LEU 96 - HG3 GLN 101 5.50 6 0.22 0.78 * + + +++ peak 4101 Upper HA LEU 96 - QD2 LEU 96 3.33 6 0.20 0.80 * + ++ + + peak 931 Upper HB2 LEU 96 - HE21 GLN 359 4.41 13 0.99 4.13 + ++*+++ + + ++++ peak 849 HE21 GLN 59 - QB ALA 117 Upper HB3 LEU 96 - HG2 GLN 101 3.37 17 0.86 1.58 ++++*++++++ ++++++ peak 3599 Upper HB3 LEU 96 - HE22 GLN 101 5.50 16 0.74 1.17 ++++++++ *+ + +++++ peak 1208 Upper HB3 LEU 96 - HD3 PRO 358 4.27 19 3.39 5.47 +++++++++++++ +*++++ peak 8242 Upper HB3 LEU 96 - HE21 GLN 359 4.94 13 3.51 7.05 ++++ ++++++++* peak 851 Upper HG LEU 96 - QG2 VAL 119 4.30 7 0.37 1.57 + + * + ++ + peak 3956 QG2 VAL 119 - HB2 LEU 122 Upper QD1 LEU 96 - H ILE 100 4.83 9 0.25 1.10 +*++ + + + + + peak 234 QD1 LEU 96 - H ARG 103 Upper QD1 LEU 96 - HA VAL 104 5.50 6 0.31 1.54 +++ *++ peak 3590 Upper QD1 LEU 96 - H GLN 105 5.50 6 0.20 1.04 + +*++ + peak 3359 Upper QD1 LEU 96 - H VAL 119 4.75 10 0.55 1.96 ++ + * + ++ + ++ peak 1314 Upper QD1 LEU 96 - HA VAL 119 4.95 8 0.32 1.35 +++ * + + ++ peak 3947 Upper QD1 LEU 96 - QG2 VAL 119 3.51 8 0.64 2.24 +++ + + + + * peak 1754 Upper QD2 LEU 96 - HG3 PRO 97 5.41 6 0.21 0.94 ++* + + + peak 3410 Upper QD2 LEU 96 - HD2 PRO 97 4.15 10 0.30 0.89 +++ +++ +* + + peak 3413 Upper QD2 LEU 96 - QG2 ILE 100 3.23 15 0.89 2.06 ++*++++ +++ + ++++ peak 3465 Upper QD2 LEU 96 - QB TYR 352 4.18 19 1.46 2.70 ++++++++++++++++++ * peak 8179 Upper QD2 LEU 96 - QD TYR 352 3.70 18 1.29 2.41 +*+++++++++++++ ++ + peak 8183 Upper QD2 LEU 96 - QE TYR 352 3.90 18 1.41 2.50 +*+++++++++++++ ++ + peak 8182 Upper HB2 PRO 97 - HB ILE 100 5.50 20 1.22 1.42 +++++++++*++++++++++ peak 3458 Upper HD2 PRO 97 - HE21 GLN 359 5.07 12 0.63 2.49 + ++++ ++ +++*+ peak 3428 HD2 PRO 397 - HE21 GLN 401 Upper QG GLU 99 - HG12 ILE 100 3.68 11 0.49 1.24 + ++++ + ++ + * + peak 2230 Upper HB ILE 100 - H GLN 101 3.23 17 0.60 1.16 + +++++++++++++++* peak 1136 H LEU 89 - HG3 PRO 112 Upper QG2 ILE 100 - H LEU 122 5.50 10 0.47 1.43 ++ ++++ +* ++ peak 1675 Upper QG2 ILE 100 - QB ARG 123 3.34 6 0.20 0.87 + +* + ++ peak 4039 QD2 LEU 122 - QB ARG 123 Upper QG2 ILE 100 - H ARG 124 4.96 7 0.25 0.93 + ++ + ++ * peak 1676 Upper QD1 ILE 100 - HB2 GLN 101 3.24 20 1.04 1.50 +++++++++++++++++++* peak 2725 QD1 ILE 100 - HG3 GLN 101 Upper QD1 ILE 100 - QD TYR 352 4.11 18 1.66 3.06 +*+++++++++++ ++++ + peak 8115 Upper QD1 ILE 100 - QE TYR 352 3.73 17 1.57 2.99 +*++++++ + ++ ++++++ peak 8114 Upper QD1 ILE 100 - HG2 PRO 358 3.84 20 3.47 5.72 ++++++++++++++++++*+ peak 8117 Upper QD1 ILE 100 - HG3 PRO 358 3.84 19 2.74 4.37 + ++++++++++++++++*+ peak 8116 Upper H GLN 101 - HE22 GLN 101 5.50 9 0.28 0.82 +*++ +++ + + peak 482 H ALA 116 - HE22 GLN 401 Upper HA GLN 101 - HE22 GLN 101 5.50 13 0.32 0.50 +++ ++ + ++ ++*+ + peak 477 Upper HG3 GLN 101 - QB ALA 102 4.48 12 0.43 1.57 +++ + ++++ ++ +* peak 4091 Upper HA VAL 104 - HB3 LEU 118 4.75 6 0.34 1.80 + + ++ *+ peak 3586 Upper HA VAL 104 - QD2 LEU 118 4.96 6 0.22 1.43 + ++ + + * peak 3938 Upper QQG VAL 104 - HE21 GLN 107 3.77 6 0.22 1.28 + +++* + peak 1240 Upper QB GLN 107 - H LEU 118 4.68 20 1.22 3.37 ++++++++++++++++++*+ peak 3622 Upper HA PRO 109 - H ALA 115 5.50 10 0.31 0.71 +++* ++ + + + + peak 573 Upper HA PRO 109 - QD1 LEU 118 4.38 7 0.32 1.61 + + + ++ *+ peak 3924 Upper HD2 PRO 109 - QD2 LEU 118 4.62 9 0.29 0.72 + + * + ++ + ++ peak 3939 Upper H GLY 110 - HG3 GLU 114 5.15 8 0.27 1.09 + ++ + + + +* peak 1253 Upper H GLY 110 - H ALA 115 5.50 18 0.71 1.45 ++++++++++ +++*++++ peak 540 Upper HB2 PRO 112 - QD1 LEU 362 4.17 20 1.15 1.97 ++++*+++++++++++++++ peak 8265 Upper HB2 PRO 112 - QD2 LEU 362 3.97 14 0.83 1.85 +++++ ++*+ ++++ + peak 8264 Upper HB3 PRO 112 - QD1 LEU 362 4.32 20 1.99 3.11 ++++*+++++++++++++++ peak 8267 Upper HB3 PRO 112 - QD2 LEU 362 4.14 18 1.64 2.92 ++++++++*+ ++++++++ peak 8266 Upper HG3 PRO 112 - QD2 LEU 362 4.00 16 1.41 3.10 *++++ +++++++++ + + peak 8268 Upper HA GLU 113 - H ALA 117 4.25 14 0.73 1.61 +++++++ ++ +++*+ peak 575 Upper HG3 GLU 113 - QB ALA 116 4.51 15 0.85 2.29 + + +*+++ ++++++ ++ peak 3839 Upper H GLU 114 - HG2 GLU 114 3.42 14 0.53 1.23 +*+ + +++ +++++++ peak 1276 Upper HA GLU 114 - H ALA 116 3.61 19 1.04 2.12 +++ ++++++++++++++*+ peak 3874 Upper H ALA 115 - QD2 LEU 118 4.32 8 0.21 0.75 +++* + ++ + peak 3917 Upper HA ALA 116 - H ASP 120 5.06 9 0.29 0.77 ++ + ++ +++* peak 624 Upper HA ALA 116 - HB2 PRO 358 4.33 20 2.44 4.07 +++++++++*++++++++++ peak 8259 Upper HA ALA 116 - HB3 PRO 358 3.72 20 2.84 4.44 +++++++++*++++++++++ peak 8252 Upper QB ALA 116 - HB2 PRO 358 4.47 10 0.48 1.90 +++* ++++ + + peak 8262 Upper QB ALA 116 - HB3 PRO 358 3.94 18 1.01 2.03 ++ +++++*++++++++++ peak 8257 Upper QB ALA 116 - H GLN 359 3.58 15 2.35 4.57 *++++ ++++++++++ peak 8135 Upper H ALA 117 - HB2 ASP 120 5.50 17 0.91 1.78 ++++*++ ++++ ++++ ++ peak 1289 Upper HA ALA 117 - HB3 ASP 120 3.58 15 0.63 1.35 +++++++++ * ++ ++ + peak 1485 Upper QB ALA 117 - HB3 ASP 120 4.32 18 0.99 1.59 +*+++++++ ++++++++ + peak 1487 Upper HA LEU 118 - QD2 LEU 118 2.75 7 0.45 1.38 ++ + * ++ + peak 887 Upper HA LEU 118 - HG LEU 122 4.74 7 0.24 1.24 + + + ++ *+ peak 4004 Upper HB3 LEU 118 - HG LEU 122 4.98 6 0.19 0.68 + + + *+ + peak 4017 Upper HG LEU 118 - HA VAL 119 4.42 14 0.83 1.84 ++++ +++ + ++++ *+ peak 3943 Upper QG2 VAL 119 - QD ARG 123 3.62 14 0.58 1.60 +++++ +++ +*++++ peak 4025 Upper QG2 VAL 119 - QE TYR 352 3.65 14 1.39 3.18 + ++*++ + ++ ++++ + peak 8189 Upper HA LEU 122 - QD2 LEU 122 2.84 13 0.45 0.91 +++ + * +++ + ++ ++ peak 565 Upper QD2 LEU 122 - H ARG 124 4.35 6 0.21 1.05 + + * + + + peak 3079 Upper H ARG 123 - HG2 ARG 123 3.95 9 0.26 0.74 + ++++++ *+ peak 4044 Upper HA PRO 340 - QB ALA 343 3.63 7 0.29 0.57 + *+ + + + + peak 1631 Upper HA PRO 340 - HD1 TRP 372 4.07 7 0.24 0.76 + *+ + + ++ peak 51 Upper HG2 PRO 340 - HE ARG 344 5.50 8 0.22 0.76 +* + +++ + + peak 653 HE ARG 44 - HG3 GLU 367 Upper HB3 GLU 341 - HE1 TRP 372 5.50 12 0.78 1.84 *+++ ++ ++++++ peak 264 Upper H ALA 343 - HA TRP 372 5.50 18 0.74 1.44 ++++++++*+++ +++++ + peak 693 Upper QB ALA 343 - H TRP 372 4.27 14 0.54 1.46 ++++ ++ *+++ + ++ + peak 1652 Upper QB ALA 343 - HA TRP 372 3.64 19 0.82 1.38 ++++++++*+++++++++ + peak 1632 Upper QB ALA 343 - HE3 TRP 372 4.53 7 0.27 0.86 + + +* + ++ peak 125 Upper QB ALA 343 - HE1 TRP 372 5.13 14 0.70 1.53 + +++++++++ +++ * peak 258 Upper H ARG 344 - HD1 TRP 372 4.73 6 0.20 0.67 ++++ + * peak 647 Upper HD2 ARG 344 - QD PHE 347 5.50 9 0.32 1.52 + + + + + *++ + peak 1837 Upper HD2 ARG 344 - HZ2 TRP 372 4.95 9 0.29 1.01 + ++ ++ + ++* peak 185 HZ2 TRP 72 - HD2 ARG 370 Upper HD3 ARG 344 - HZ2 TRP 372 4.06 9 0.27 0.94 + ++ ++ + +*+ peak 186 Upper HA LEU 345 - QD PHE 347 5.30 7 0.21 0.84 + ++ +*++ peak 103 QD PHE 347 - HA ARG 366 Upper HA LEU 345 - H CYS 349 4.31 11 0.67 1.94 ++++ ++++ * ++ peak 759 Upper H ARG 346 - QD2 LEU 368 4.30 16 0.70 1.77 ++*++++ ++++++ +++ peak 668 Upper HA ARG 346 - H CYS 349 4.61 6 0.16 0.83 + ++ + + * peak 757 Upper QB ARG 346 - QD2 LEU 368 2.93 7 0.26 1.18 ++++ +* + peak 2505 Upper HA PHE 347 - QD2 LEU 365 5.44 6 0.17 0.99 +++ *+ + peak 2379 Upper QD PHE 347 - QD1 LEU 365 3.95 9 0.45 1.63 + + ++ *++++ peak 304 Upper QD PHE 347 - H ARG 370 4.68 13 0.81 2.23 ++++ + ++* + ++ ++ peak 97 Upper QD PHE 347 - QG1 VAL 388 5.50 6 0.29 2.21 ++ *++ + peak 2761 Upper QD PHE 347 - QG2 VAL 388 4.17 17 1.17 2.39 + +++++++++ ++ +*+++ peak 3165 Upper QE PHE 347 - QG ARG 348 5.50 7 0.27 1.05 + + +*+++ peak 1988 Upper QE PHE 347 - QD2 LEU 365 4.09 6 0.17 0.92 + +* + + + peak 319 Upper QE PHE 347 - H GLU 390 4.61 14 1.44 3.10 +++ *+++ ++ +++++ peak 402 Upper QE PHE 347 - QB GLU 390 4.97 11 0.97 2.80 ++++ +* +++++ peak 3205 HH2 TRP 372 - QB GLU 390 Upper QE PHE 347 - H GLN 391 4.60 11 0.93 2.23 *+++ ++ +++++ peak 98 Upper QE PHE 347 - H PHE 392 5.50 9 0.63 2.00 +++ + +*+++ peak 425 Upper HZ PHE 347 - HE ARG 348 4.82 16 1.38 3.49 + +++++++ +++*++++ peak 1346 Upper HZ PHE 347 - QD2 LEU 365 5.21 6 0.25 1.25 + +* + + + peak 291 Upper HZ PHE 347 - H CYS 369 4.68 17 0.81 1.66 ++ ++ ++++++++*++++ peak 86 Upper HZ PHE 347 - HA CYS 369 4.80 17 0.90 2.44 + ++++ ++++++++*++ + peak 285 Upper HZ PHE 347 - HG LEU 387 4.34 14 0.51 1.04 + +++++ +++ ++*++ peak 3099 H LEU 386 - HG LEU 387 Upper HZ PHE 347 - QD1 LEU 387 5.27 13 0.62 1.55 + ++ +* +++ +++++ peak 8274 Upper HZ PHE 347 - QG1 VAL 388 3.76 20 1.33 2.29 +++++++++++++++*++++ peak 293 Upper HZ PHE 347 - QG2 VAL 388 3.73 17 1.15 2.33 + +++++++ + ++++*+++ peak 294 Upper HZ PHE 347 - H GLN 391 4.22 11 0.90 2.48 *+++ ++ +++++ peak 1150 Upper HZ PHE 347 - HA GLN 391 4.42 12 1.09 3.62 +*+++ ++ +++++ peak 87 Upper HA ARG 348 - HE21 GLN 391 5.23 11 1.17 2.78 ++*+ ++ +++++ peak 414 Upper HA ARG 348 - HE22 GLN 391 5.47 12 0.87 2.42 ++++ +++ ++*++ peak 1995 Upper H PHE 350 - QD2 LEU 365 5.08 9 0.37 1.43 *++ ++ +++ + peak 779 Upper H PHE 350 - QD1 LEU 368 5.50 11 0.35 1.28 +++++++ + * ++ peak 2509 Upper HA PHE 350 - HB3 HIS 351 5.23 14 0.32 0.40 *+++ ++ + ++ +++++ peak 2038 Upper HA PHE 350 - QD2 LEU 365 5.50 7 0.26 1.00 + * + ++++ peak 2035 Upper HB2 PHE 350 - QB ALA 395 4.71 18 1.63 2.79 +++++*+++++++ +++++ peak 1714 Upper HB3 PHE 350 - QD1 LEU 365 5.50 9 0.31 0.94 +++++ * +++ peak 2010 Upper HB3 PHE 350 - QD1 LEU 368 5.02 7 0.28 1.26 ++ + +*+ + peak 2009 Upper HB3 PHE 350 - QB ALA 395 4.79 18 1.45 3.10 ++++++++ ++*+ ++++++ peak 2008 Upper QD PHE 350 - HB2 GLN 364 4.36 6 0.34 2.36 + + * + ++ peak 275 Upper QD PHE 350 - HB3 GLN 364 3.90 16 1.00 2.21 ++ +++++ ++++ ++*++ peak 276 Upper QD PHE 350 - HG LEU 365 3.49 16 0.88 2.21 + ++++++ ++++*++++ peak 283 Upper QD PHE 350 - QD1 LEU 365 4.46 7 0.24 1.32 +++ *++ + peak 284 Upper QD PHE 350 - QD1 LEU 368 3.16 14 0.90 2.37 + + ++ ++++*+++++ peak 279 Upper QD PHE 350 - HA PHE 392 5.47 9 0.70 2.56 ++++ + +++ * peak 3240 Upper QD PHE 350 - QB ALA 395 3.01 19 1.43 2.53 ++++++*+++ +++++++++ peak 278 Upper QE PHE 350 - HA TYR 352 4.11 8 0.39 1.73 +++*+ + + + peak 2071 Upper QE PHE 350 - QB TYR 352 4.30 8 0.50 1.82 + + *+ ++ ++ peak 262 Upper QE PHE 350 - H GLU 353 5.50 13 0.55 1.78 ++++*+++++++ + peak 797 Upper QE PHE 350 - QG GLU 353 3.80 8 0.38 1.86 *+ +++++ + peak 265 QE PHE 350 - HB3 GLN 364 Upper QE PHE 350 - QG GLU 353 5.50 7 0.40 1.40 +*+++ + + peak 2090 Upper QE PHE 350 - HB2 GLN 364 4.34 9 0.52 1.92 + +++ * ++++ peak 264 Upper QE PHE 350 - HG LEU 365 4.06 10 0.58 2.31 + ++ + ++*+++ peak 270 Upper QE PHE 350 - QB ALA 395 4.10 7 0.46 1.99 + + ++* + + peak 1723 QB ALA 95 - QE PHE 350 Upper H HIS 351 - QB ALA 395 5.50 11 0.49 1.67 *+++ ++ +++++ peak 787 Upper HA HIS 351 - QB ALA 395 4.37 8 0.40 1.76 *++ ++ ++ + peak 1718 Upper HB2 HIS 351 - QG GLU 353 5.50 7 0.26 1.21 + +* +++ + peak 2086 Upper HB2 HIS 351 - QB ALA 395 5.50 11 0.92 2.79 *+++ ++ +++++ peak 2051 Upper HB3 HIS 351 - HE1 HIS 351 4.84 6 0.14 0.50 * ++ + ++ peak 257 Upper HB3 HIS 351 - QB ALA 395 5.50 10 0.59 2.28 ++* ++ +++++ peak 2046 Upper HD2 HIS 351 - HA GLU 353 4.58 14 0.58 1.58 ++ ++++ *++ +++++ peak 67 Upper HE1 HIS 351 - HA GLU 353 4.36 15 0.62 1.17 + +++ + * +++++++++ peak 64 Upper H TYR 352 - QB ALA 395 3.69 8 0.41 1.68 *++ ++ + + + peak 1727 Upper H TYR 352 - HG LEU 396 5.22 16 2.45 5.41 + ++++++ ++++ ++++* peak 793 Upper H TYR 352 - HD2 PRO 397 5.06 12 1.55 3.93 ++*+ ++++++++ peak 789 Upper QB TYR 352 - QB ALA 361 4.85 7 0.48 1.66 + + ++*++ peak 1602 Upper QB TYR 352 - H ALA 395 5.45 15 0.68 1.67 +++++++++ + +* +++ peak 1114 H ALA 95 - QB TYR 352 Upper QB TYR 352 - HA LEU 396 4.90 8 0.33 1.02 +++ + + +* + peak 3343 Upper QB TYR 352 - HD3 PRO 397 5.32 15 0.70 1.57 +++++++* ++++++ + peak 3382 Upper QD TYR 352 - QG GLU 354 3.32 20 1.18 2.07 +*++++++++++++++++++ peak 243 Upper QD TYR 352 - QG2 THR 356 4.43 6 0.29 1.26 + ++*++ peak 248 Upper QD TYR 352 - H ALA 361 5.50 6 0.24 0.93 + * + +++ peak 870 H ALA 361 - HE22 GLN 364 Upper QD TYR 352 - QB ALA 361 2.84 19 2.19 3.75 +++++++++ ++++++++*+ peak 244 Upper QD TYR 352 - HB3 LEU 396 3.49 10 0.47 1.89 ++ ++ ++ ++ +* peak 249 QD TYR 352 - QD1 ILE 400 Upper QD TYR 352 - QD1 LEU 396 5.13 7 0.33 1.30 + +* +++ + peak 251 Upper QD TYR 352 - HG3 PRO 397 5.03 6 0.23 0.97 + * ++ + + peak 3432 Upper QD TYR 352 - QG2 VAL 419 3.77 17 0.90 1.81 ++++++++++++++++* peak 250 Upper QE TYR 352 - H GLU 353 4.04 7 0.17 0.52 + + + ++* + peak 59 QE TYR 352 - H GLU 354 Upper QE TYR 352 - QG GLU 353 5.50 11 0.37 1.22 +++ + + + ++++* peak 2087 Upper QE TYR 352 - QG2 THR 356 4.64 15 0.77 1.87 +++ +++ +++++*+++ peak 236 Upper QE TYR 352 - HA PRO 358 3.75 10 0.67 1.86 ++ ++ +++++* peak 46 Upper QE TYR 352 - HB2 PRO 358 4.29 10 0.46 2.06 ++++ ++ ++ +* peak 230 Upper QE TYR 352 - QE PHE 392 4.04 20 2.12 3.66 ++++++++*+++++++++++ peak 109 Upper QE TYR 352 - QD1 LEU 396 4.57 10 0.51 1.99 ++ ++ *++ + ++ peak 239 Upper HB2 GLU 353 - QG2 THR 356 4.95 7 0.44 2.15 + + + + * + + peak 2582 Upper QG GLU 353 - HA THR 356 5.12 8 0.36 1.26 + + +++ * + + peak 2107 HA THR 356 - HB2 GLU 360 Upper HA GLU 354 - H GLY 357 3.90 10 0.39 1.70 + ++*++ ++ + + peak 821 Upper QG GLU 354 - H GLY 357 5.50 10 0.43 1.58 + + ++*+ ++ + + peak 825 Upper QG GLU 354 - QD ARG 423 4.05 7 0.25 0.90 ++ + + +*+ peak 4028 Upper H ALA 355 - QG2 THR 356 4.48 9 0.33 1.18 ++ ++*+ + + + peak 812 Upper HA THR 356 - HB3 GLU 360 5.04 19 1.39 2.64 +++++++++*++++++++ + peak 2109 Upper HB THR 356 - HB3 GLU 360 4.82 15 1.16 3.15 ++++++ ++*++++ + + peak 2102 Upper HB THR 356 - HG2 GLU 360 5.27 7 0.39 1.84 + * +++ + + peak 2104 Upper HB THR 356 - HG3 GLU 360 4.34 8 0.35 1.39 +++ +*+ + + peak 2105 Upper QG2 THR 356 - H ALA 361 4.33 7 0.28 1.22 * + + ++ ++ peak 894 Upper QG2 THR 356 - QB ALA 361 3.54 16 1.21 2.25 + ++*+++ +++++++++ peak 1600 Upper QG2 THR 356 - HE21 GLN 364 4.60 6 0.29 1.33 + ++* + + peak 1772 Upper QG2 THR 356 - HE22 GLN 364 5.04 7 0.30 1.81 + + +*+ + + peak 928 Upper H GLY 357 - HE22 GLN 359 4.65 11 0.85 2.33 +++++ + ++ ++ * peak 399 Upper H GLY 357 - H GLU 360 5.50 6 0.21 0.99 +*++ + + peak 398 Upper HA PRO 358 - H LEU 362 5.50 11 0.37 1.09 ++ +*++ + + + ++ peak 875 Upper HA PRO 358 - QE PHE 392 4.74 9 0.41 1.38 +* + + + + + ++ peak 110 Upper HA PRO 358 - HZ PHE 392 4.37 18 1.50 2.99 +++++++++ ++++ +*+++ peak 116 Upper HB2 PRO 358 - HA ALA 416 4.32 10 0.38 1.51 +++ + +*+++ + peak 2136 Upper HB2 PRO 358 - H ALA 417 4.89 20 1.69 2.30 +++++*++++++++++++++ peak 1290 Upper HB2 PRO 358 - H VAL 419 5.50 18 1.38 2.31 +++++++++ +*+++ ++++ peak 2171 Upper HB2 PRO 358 - QG1 VAL 419 4.66 7 0.26 1.20 ++ * ++ + + peak 2133 Upper HB2 PRO 358 - QG2 VAL 419 4.11 6 0.26 1.00 ++ *+ + + peak 2131 Upper HB3 PRO 358 - HE22 GLN 359 3.76 8 0.40 1.62 ++ * + + ++ + peak 8254 HB3 PRO 58 - HE22 GLN 359 HB3 PRO 358 - QD PHE 392 Upper HB3 PRO 358 - HZ PHE 392 4.28 18 0.89 2.09 +*++++++++++++ +++ + peak 170 Upper HB3 PRO 358 - QB ALA 416 3.67 14 0.62 2.03 ++++++ *++ ++++ + peak 2138 Upper HG2 PRO 358 - QE PHE 392 4.05 7 0.32 1.28 *+++ + + + peak 157 QE PHE 392 - HB VAL 419 Upper HG2 PRO 358 - HZ PHE 392 3.74 12 1.08 3.34 ++*+ +++ + ++ ++ peak 169 Upper HG2 PRO 358 - QB ALA 416 3.50 6 0.34 1.45 ++* + + + peak 1621 Upper HG2 PRO 358 - H ALA 417 4.41 14 0.58 1.22 +++*++ ++++++ + + peak 1291 HG3 GLU 414 - H ALA 417 Upper HG2 PRO 358 - H ASP 420 3.27 15 0.42 0.74 ++++ +++ +++++ +*+ peak 805 HB VAL 419 - H ASP 420 Upper HG2 PRO 358 - HB2 ASP 420 4.68 11 0.44 1.17 +* + ++ ++++ + + peak 1489 HB VAL 419 - HB2 ASP 420 Upper HG2 PRO 358 - HB3 ASP 420 3.92 17 0.81 1.60 +++*++++++ + +++ +++ peak 1486 Upper HD3 PRO 358 - QG2 VAL 419 3.84 9 0.78 2.46 ++*+ +++ + + peak 1758 Upper H GLN 359 - H LEU 362 5.35 6 0.26 0.97 + ++ + + * peak 161 H GLN 59 - H LEU 393 Upper H GLN 359 - HB2 LEU 362 5.50 6 0.37 1.75 + *+ + + + peak 2295 HB2 LEU 362 - H ALA 416 Upper H GLN 359 - HB2 LEU 362 5.50 18 1.05 2.23 ++*++++++ ++++++++ + peak 838 Upper H GLN 359 - QD1 LEU 362 4.98 7 0.50 2.50 + *+ ++ + + peak 8308 Upper HA GLN 359 - H LEU 362 3.85 6 0.23 1.26 ++ *++ + peak 877 Upper HA GLN 359 - HB2 LEU 362 3.84 9 0.36 1.30 + *++ + ++ + + peak 2198 Upper HA GLN 359 - HB2 LEU 362 4.05 6 0.17 0.90 + *+ ++ + peak 1874 HB2 LEU 362 - HA PRO 412 Upper QB GLN 359 - H LEU 362 5.01 14 0.48 1.55 + ++ + +*++++++ + + peak 2214 Upper QB GLN 359 - HA ALA 416 3.75 13 0.59 1.48 +++ + +++ ++*++ + peak 8118 HA ALA 415 - HB2 LEU 418 Upper QB GLN 359 - QB ALA 416 3.13 10 0.53 1.35 *++ +++ +++ + peak 8137 Upper QB GLN 359 - H ALA 417 4.06 12 1.14 3.78 *+++ +++++ + ++ peak 1292 Upper HG2 GLN 359 - H GLU 360 4.58 10 0.26 1.11 + ++++ ++ *+ + peak 2224 Upper HG2 GLN 359 - QD1 LEU 362 4.82 12 0.58 1.90 + *++ ++++++ ++ peak 2208 Upper HG3 GLN 359 - H LEU 362 5.28 7 0.32 1.10 +++ +++ * peak 880 H LEU 362 - HG3 GLN 364 H LEU 362 - HG2 GLU 413 Upper HG3 GLN 359 - H ALA 363 4.49 9 1.39 3.54 ++++ +++ * + peak 896 H ALA 363 - HG2 GLU 413 Upper HG3 GLN 359 - QB ALA 416 3.59 12 0.70 2.21 +++* +++ +++ + + peak 1622 Upper HE22 GLN 359 - QD1 LEU 362 4.78 6 0.31 1.38 +* ++ + + peak 857 HE22 GLN 59 - QD1 LEU 362 Upper H GLU 360 - HB2 GLU 360 3.21 8 0.18 0.42 * +++++ + + peak 2250 Upper H GLU 360 - HG3 GLU 360 3.52 8 0.30 0.86 +++* + + ++ peak 860 Upper H GLU 360 - H LEU 362 4.63 15 0.59 1.15 ++ +*+++ ++++++++ peak 175 Upper HA GLU 360 - H ALA 363 4.08 8 0.24 0.77 + + ++ ++ * + peak 389 Upper HB2 GLU 360 - H ALA 361 3.44 14 0.46 1.07 +* +++++++++ ++ + peak 891 Upper HB3 GLU 360 - HE21 GLN 364 4.27 8 0.63 2.80 +++ +++ * + peak 916 Upper HB3 GLU 360 - HE22 GLN 364 4.99 9 0.67 2.94 + ++ + +++ * + peak 925 Upper HG2 GLU 360 - H ALA 361 4.05 11 0.27 0.73 ++++ +* +++++ peak 890 HG3 GLU 360 - H ALA 361 Upper HG2 GLU 360 - H LEU 362 5.49 6 0.21 1.08 * + ++ + + peak 2244 HG2 GLU 360 - H GLN 364 Upper HG2 GLU 360 - HE21 GLN 364 4.05 6 0.32 2.31 ++ *+ + + peak 2242 Upper HG3 GLU 360 - QB ALA 361 4.85 13 0.84 1.56 + +++++ +* +++++ peak 1606 Upper HG3 GLU 360 - HE21 GLN 364 3.61 10 0.67 2.73 + ++ + +++ * ++ peak 914 Upper HG3 GLU 360 - HE22 GLN 364 4.32 9 0.64 2.44 + ++ + +++ * + peak 923 Upper H ALA 361 - H ALA 363 3.31 10 0.39 0.92 ++ + ++ ++ + +* peak 178 Upper HA ALA 361 - HB2 GLN 364 4.97 9 0.33 1.01 +++ * +++ + + peak 2330 Upper HA ALA 361 - HG3 GLN 364 4.08 9 0.42 2.54 ++ +++ +++ * peak 2349 Upper QB ALA 361 - HB2 LEU 365 4.14 9 0.73 2.47 ++++ *++ + + peak 8142 Upper QB ALA 361 - H PHE 392 4.29 6 0.24 1.58 ++ ++ +* peak 1166 H PHE 392 - HB3 PRO 412 Upper QB ALA 361 - QE PHE 392 3.31 18 1.10 2.23 ++++++ +++++++ ++++* peak 158 Upper QB ALA 361 - HZ PHE 392 4.16 19 1.56 3.41 ++++++++++++++ ++++* peak 171 Upper H LEU 362 - HG LEU 362 3.15 14 0.62 1.52 + + +++*+ +++++++ peak 884 Upper H LEU 362 - HG2 GLN 364 5.50 10 0.41 2.06 ++ + + + +*+ ++ peak 879 Upper HA LEU 362 - H PHE 392 4.33 14 0.98 2.27 ++ +++ +++ ++*+ ++ peak 428 Upper HG LEU 362 - HG3 PRO 412 4.13 10 0.47 1.35 ++++ + +*+ ++ peak 3779 Upper HG LEU 362 - HG2 GLU 413 5.06 12 0.75 1.95 ++++ + ++* +++ + peak 3840 Upper QD1 LEU 362 - H ALA 415 4.38 15 1.06 2.74 +*++ ++ ++++ + ++ ++ peak 8310 Upper QD1 LEU 362 - H ALA 416 4.44 7 0.30 1.17 +*++ +++ peak 978 Upper QD1 LEU 362 - HA ALA 416 4.63 13 0.76 1.93 ++++ *+++++ ++ + peak 3885 Upper QD1 LEU 362 - QB ALA 416 3.07 11 0.35 1.18 ++++ * +++ ++ + peak 1619 Upper QD1 LEU 362 - H ALA 417 5.50 9 0.55 1.72 ++++ + +*+ + peak 1299 Upper QD2 LEU 362 - H LEU 365 4.60 7 0.27 1.24 + ++++ + * peak 2315 Upper QD2 LEU 362 - H VAL 388 5.13 6 0.27 1.15 * +++ + + peak 1124 H VAL 88 - QD2 LEU 362 QD1 LEU 373 - H VAL 388 Upper QD2 LEU 362 - H LEU 389 4.33 8 0.45 1.90 ++*++ ++ + peak 2314 QD2 LEU 62 - H LEU 389 Upper QD2 LEU 362 - HG3 PRO 412 4.18 13 0.66 1.75 + +*+ +++++ ++ + + peak 3747 Upper QD2 LEU 362 - H GLU 413 4.84 8 0.52 1.82 + *+ + + + + + peak 1275 Upper QD2 LEU 362 - HA GLU 413 4.95 8 0.23 0.83 +++ ++* + + peak 8156 HA GLU 113 - QD2 LEU 362 Upper QD2 LEU 362 - HG3 GLU 413 5.50 8 0.30 0.95 *+++ +++ + peak 3834 HG3 GLU 113 - QD2 LEU 362 Upper QD2 LEU 362 - QB ALA 415 4.41 16 0.92 2.19 ++ ++++++*+ +++ +++ peak 1678 Upper QD2 LEU 362 - H ALA 416 5.50 9 0.44 2.03 + +++*+ + + + peak 977 Upper QD2 LEU 362 - HA ALA 416 5.50 18 1.23 3.21 +++++++++*+++++ +++ peak 3886 Upper QD2 LEU 362 - QB ALA 416 3.42 19 1.10 2.62 ++++ +++++*+++++++++ peak 8208 Upper HA ALA 363 - H ARG 366 3.72 18 0.84 1.71 ++++++++++++++++*+ peak 213 Upper QB ALA 363 - H LEU 365 4.00 12 0.55 1.72 ++ + + + ++++ ++* peak 1698 Upper QB ALA 363 - HA GLU 413 4.25 9 0.26 0.68 ++++ +++ * + peak 1696 HA GLU 413 - QB ALA 417 Upper QB ALA 363 - HG2 GLU 413 4.83 9 1.67 5.08 *+++ +++ + + peak 3841 Upper H GLN 364 - HE22 GLN 364 5.50 6 0.19 0.69 + + + + +* peak 388 Upper HA GLN 364 - HE22 GLN 364 5.50 9 0.25 0.76 +++ * + ++++ peak 394 Upper HA GLN 364 - HG3 GLU 367 5.50 7 0.27 0.88 + + ++ * + + peak 2453 Upper HG2 GLN 364 - QD1 LEU 368 4.76 8 0.41 2.42 ++++ +* + + peak 2497 Upper HG3 GLN 364 - QD1 LEU 368 4.78 7 0.32 2.88 ++++ ++* peak 2499 Upper H LEU 365 - HG2 GLU 367 5.50 14 0.51 1.53 ++ +++ +* ++ ++ +++ peak 2478 Upper HA LEU 365 - QD2 LEU 365 3.41 6 0.19 0.71 +* +++ + peak 793 Upper HB2 LEU 365 - QG1 VAL 388 4.50 6 0.21 0.92 ++ + + * + peak 2365 Upper HB3 LEU 365 - H GLU 367 5.50 10 0.34 1.25 + + ++++ * +++ peak 954 Upper HB3 LEU 365 - QG1 VAL 388 3.97 7 0.21 0.93 +++ + * ++ peak 2364 Upper QD1 LEU 365 - H GLU 367 5.50 9 0.50 1.58 * + +++ ++++ peak 957 Upper QD1 LEU 365 - HA GLN 391 5.43 6 0.23 1.10 * + + + ++ peak 3219 HA GLN 91 - QD1 LEU 365 Upper QD1 LEU 365 - H PHE 392 3.71 9 0.29 1.43 ++ ++ + + ++ * peak 1170 Upper QD1 LEU 365 - HA PHE 392 3.38 12 0.64 2.01 +++++ + + ++ + +* peak 2394 Upper QD1 LEU 365 - HB2 PHE 392 4.42 11 0.70 2.29 +++++++ + + + * peak 8286 Upper QD1 LEU 365 - HB3 PHE 392 4.13 6 0.27 1.29 + + + + *+ peak 8285 Upper QD1 LEU 365 - QD PHE 392 4.25 9 0.39 1.18 + ++*+ ++ + + peak 2395 Upper QD1 LEU 365 - QB ALA 395 3.86 18 1.35 2.14 +++++++++ +++ *+++++ peak 1712 Upper QD1 LEU 365 - HG2 PRO 412 4.58 19 1.05 1.68 +++++++*+++++ ++++++ peak 3790 Upper QD2 LEU 365 - H GLN 391 4.71 16 0.91 1.98 + +++ ++ ++*+++++++ peak 1153 Upper QD2 LEU 365 - HG2 GLN 391 3.53 8 0.37 2.60 + ++ + ++* + peak 8296 Upper QD2 LEU 365 - QD PHE 392 4.14 16 0.86 1.86 + ++ + +++++++ +++*+ peak 2402 Upper QD2 LEU 365 - QB ALA 395 3.89 13 0.81 2.01 + ++* ++++ +++++ peak 8295 Upper HA ARG 366 - H CYS 369 4.40 10 0.40 1.20 ++ + ++ +*+++ peak 8158 Upper HA ARG 366 - HB2 CYS 369 4.89 11 0.72 2.21 +++ +* ++++++ peak 2546 Upper HA ARG 366 - HB3 CYS 369 4.92 13 0.77 1.83 + ++++ ++ +*++++ peak 2541 Upper HA ARG 366 - QD2 LEU 387 4.15 11 1.48 3.25 ++++ ++ ++++* peak 8226 Upper QB ARG 366 - QG1 VAL 388 3.19 8 0.34 1.32 + + *++ + + + peak 3147 Upper QG ARG 366 - QG1 VAL 388 3.73 8 0.56 2.47 ++ + *++ + + peak 8198 Upper HD2 ARG 366 - QG2 VAL 388 4.03 12 0.55 2.60 *+++ + + ++ + +++ peak 3150 Upper H GLU 367 - QD2 LEU 368 4.55 12 0.60 1.65 ++++ + ++ * ++ ++ peak 956 Upper H GLU 367 - H ARG 370 4.29 9 0.70 2.09 +*++ +++ + + peak 195 H ARG 70 - HZ2 TRP 372 Upper HA GLU 367 - HG3 GLU 367 3.60 9 0.23 0.57 ++++ + +++ * peak 191 Upper HA GLU 367 - HG3 ARG 370 4.93 13 0.53 1.57 * +++ ++++ ++ +++ peak 2596 Upper HA GLU 367 - HD2 ARG 370 4.31 11 0.58 1.87 + + ++ ++ ++++* peak 2593 Upper HA GLU 367 - HD3 ARG 370 5.50 15 0.59 1.40 +++* +++ ++ + +++++ peak 2591 Upper QB GLU 367 - QD2 LEU 368 4.06 16 0.70 1.54 +++ +++ ++ ++*+++ ++ peak 2463 Upper HG3 GLU 367 - HG2 GLN 371 5.11 6 0.20 0.85 +*++ ++ peak 2452 Upper H CYS 369 - QG2 VAL 388 3.68 17 1.27 3.03 +++*++ ++++ +++++ ++ peak 8235 Upper HA CYS 369 - HZ3 TRP 372 4.26 6 0.22 1.02 + * ++ + + peak 213 Upper HA CYS 369 - HB3 LEU 373 4.04 20 1.86 2.63 +++++++++++++++*++++ peak 2555 Upper HA CYS 369 - HB3 LEU 373 5.30 9 0.27 0.92 + ++ + ++ + *+ peak 2554 HA CYS 369 - QG2 VAL 388 Upper HB2 CYS 369 - HB3 LEU 373 4.59 14 0.96 2.69 ++++++ ++ ++*+++ peak 8276 Upper HB2 CYS 369 - QB LEU 384 5.50 13 0.66 1.62 +++++ + +++ ++ + * peak 3005 Upper HB2 CYS 369 - QD1 LEU 384 3.84 11 0.42 1.19 ++++ ++++ *+ + peak 3002 HG2 MET 383 - QD1 LEU 384 Upper HB3 CYS 369 - HB3 LEU 373 4.33 15 1.19 2.33 ++ +*++++ ++ +++ ++ peak 2562 Upper HB3 CYS 369 - HB3 LEU 373 4.50 6 0.20 0.72 * + + ++ + peak 2557 HB3 CYS 369 - QG2 VAL 388 Upper HB3 CYS 369 - H VAL 388 5.00 7 0.27 1.60 + + + ++ +* peak 1116 Upper H ARG 370 - HD3 ARG 370 5.50 7 0.16 0.57 +++ *++ + peak 2597 Upper H ARG 370 - HB3 LEU 373 4.51 16 0.52 1.17 + ++* +++++++++++ + peak 991 Upper H ARG 370 - QB LEU 384 4.47 10 0.73 2.13 *+++ +++ + ++ peak 8249 Upper H ARG 370 - QD1 LEU 384 3.42 15 1.01 2.24 +++++++ +++ * +++ + peak 8321 H LEU 373 - QD1 LEU 384 Upper HA ARG 370 - QG ARG 374 4.40 11 0.41 1.32 + +++ * +++ + + + peak 2655 Upper HA ARG 370 - HD2 PRO 375 4.71 13 0.68 1.53 +*++ ++ +++ + + ++ peak 2687 Upper HA ARG 370 - HD3 PRO 375 4.12 15 0.50 1.16 +*++ ++++++ + ++ ++ peak 2688 Upper HA ARG 370 - QD1 LEU 384 3.85 8 0.37 1.17 ++++ ++ * + peak 2996 Upper HG2 ARG 370 - H GLN 371 4.54 11 0.38 0.94 ++++ ++ +*+++ peak 285 Upper HG2 ARG 370 - H ARG 374 4.60 12 0.71 1.92 ++++* ++ +++++ peak 3659 Upper HG2 ARG 370 - QD1 LEU 384 3.58 12 0.52 1.45 +++++ +++++ * + peak 2574 Upper HG3 ARG 370 - HD2 PRO 375 4.78 12 0.57 1.75 ++*+++++++ + + peak 2682 Upper HG3 ARG 370 - HD3 PRO 375 4.83 12 0.46 1.27 ++++++* ++ + + + peak 2678 Upper HD2 ARG 370 - HA GLN 371 5.45 8 0.28 0.87 +*+ + ++ ++ peak 2592 HD2 ARG 370 - HD2 PRO 375 Upper HD2 ARG 370 - H ARG 374 5.50 14 0.62 1.35 ++* +++ ++++++ + + peak 2606 Upper HD3 ARG 370 - H GLN 371 5.04 6 0.20 0.87 + +++ + * peak 273 H GLN 371 - HD3 PRO 375 Upper HD3 ARG 370 - HA GLN 371 5.22 10 0.67 1.65 ++++ + ++*++ peak 2590 HD3 ARG 370 - HD2 PRO 375 Upper HD3 ARG 370 - H ARG 374 5.50 14 0.49 1.13 + ++++++ + ++ *+++ peak 2605 Upper H GLN 371 - QG ARG 374 4.17 15 1.13 2.62 +++++ +++++*++ + + peak 286 Upper H GLN 371 - QD1 LEU 384 4.66 14 1.61 3.36 +++++++ +++ * + ++ peak 277 Upper HG2 GLN 371 - H TRP 372 4.66 9 0.27 0.63 +*++ +++ ++ peak 2622 Upper HG3 GLN 371 - H TRP 372 4.74 6 0.17 0.71 + ++ + * + peak 2626 Upper H TRP 372 - HA ARG 374 5.35 10 0.30 0.86 ++ + ++ +*+++ peak 2671 Upper HA TRP 372 - HD1 TRP 372 3.68 20 0.92 1.31 +++++++++++++++++*++ peak 50 Upper HB2 TRP 372 - HZ3 TRP 372 5.00 17 0.45 0.96 + +++++++ ++++++*++ peak 212 Upper HB2 TRP 372 - H ARG 374 5.50 9 0.37 1.06 + + + *+++ + + peak 2647 Upper HB3 TRP 372 - H ARG 374 5.50 18 0.69 1.40 ++++ +++*+++++++++ + peak 993 Upper HD1 TRP 372 - H LEU 373 5.30 10 0.28 0.84 +++++ + +++* peak 316 Upper HD1 TRP 372 - HB3 LEU 373 4.09 20 1.35 1.90 +++++++++++++++++*++ peak 224 Upper HE3 TRP 372 - QD1 LEU 387 4.42 11 0.71 2.04 ++ + + + + * ++++ peak 3094 Upper HZ2 TRP 372 - HB3 LEU 386 4.79 11 1.31 2.66 *+++ ++ +++++ peak 3072 HH2 TRP 372 - HB3 LEU 386 Upper HZ2 TRP 372 - HG LEU 386 3.93 6 0.27 1.55 + ++ *+ + peak 190 HZ2 TRP 372 - HG LEU 387 Upper HZ2 TRP 372 - QD1 LEU 386 4.64 11 1.75 3.58 ++++ +* +++++ peak 3081 Upper HZ2 TRP 372 - HA LEU 387 4.43 12 1.46 3.14 ++++ +* ++++++ peak 121 Upper HH2 TRP 372 - HB2 LEU 386 5.00 11 2.26 4.39 *+++ ++ +++++ peak 3074 Upper HH2 TRP 372 - HA LEU 387 3.94 11 0.77 2.10 ++++ +* +++++ peak 120 Upper HH2 TRP 372 - QD2 LEU 387 3.30 7 0.26 1.20 + + + + + + * peak 3090 Upper H LEU 373 - QD1 LEU 373 3.64 8 0.29 0.91 +*+ + + +++ peak 1928 Upper H LEU 373 - HD2 PRO 375 4.79 9 0.70 1.90 +*++ +++ + + peak 2707 Upper H LEU 373 - QE MET 383 4.12 18 0.84 1.44 +++++++++ +*+++++++ peak 8128 Upper HB2 LEU 373 - HD3 PRO 375 4.80 13 0.59 1.55 + + *+++++ + ++++ peak 2679 Upper HB2 LEU 373 - H MET 383 4.91 18 2.40 4.73 ++++++*+ ++++++++++ peak 1076 Upper HB2 LEU 373 - HG3 MET 383 4.82 11 0.65 1.69 ++++ *+ +++++ peak 1903 HB3 LEU 373 - HG3 MET 383 Upper HB3 LEU 373 - HD3 PRO 375 5.08 9 0.35 1.17 +*++ +++ + + peak 2681 Upper HB3 LEU 373 - HB2 MET 383 5.07 7 0.27 1.21 ++ + * ++ + peak 2969 QD1 LEU 373 - HB2 MET 383 Upper HB3 LEU 373 - HB3 MET 383 5.50 6 0.20 1.26 * + + + ++ peak 2960 HB3 MET 383 - QD2 LEU 387 Upper HB3 LEU 373 - HG3 MET 383 5.50 11 0.81 2.17 ++++ +* +++++ peak 1898 Upper HG LEU 373 - QE MET 383 2.71 13 0.91 3.58 + ++++ +* ++++++ peak 8122 Upper QD1 LEU 373 - HA LYS 380 4.14 7 0.21 1.37 ++ ++ * + + peak 8279 QD1 LEU 373 - HA LEU 384 Upper QD1 LEU 373 - H MET 383 5.50 18 0.95 1.86 ++++ +++++++++* ++++ peak 1073 Upper QD1 LEU 373 - HA MET 383 5.50 12 0.50 1.92 + +++ +++* ++++ peak 2972 Upper QD1 LEU 373 - HG LEU 384 3.89 10 0.44 1.54 ++++ +*+ + + + peak 2993 HG LEU 84 - QD1 LEU 373 Upper QD1 LEU 373 - QD1 LEU 384 2.74 13 0.53 1.55 ++++ + +++ ++ +* + peak 2997 Upper QD1 LEU 373 - H LEU 386 5.50 17 0.84 2.03 ++ ++++++++++* ++++ peak 1100 Upper QD1 LEU 373 - H LEU 387 5.40 10 0.47 1.67 ++++ ++ * +++ peak 1103 Upper QD1 LEU 373 - HB2 LEU 387 5.50 12 0.56 1.49 + ++++ +* +++++ peak 3130 Upper QD1 LEU 373 - QD1 LEU 387 2.92 13 0.58 1.59 + + +++ * ++ +++++ peak 3115 Upper QD2 LEU 373 - H MET 383 5.29 12 0.59 1.37 + +*++ ++ +++++ peak 1072 Upper QD2 LEU 373 - HA MET 383 4.24 11 1.14 2.65 ++++ ++ ++++* peak 2973 Upper QD2 LEU 373 - HB2 MET 383 5.00 10 0.67 1.73 ++++ ++ + ++* peak 2970 Upper QD2 LEU 373 - HG2 MET 383 5.50 8 0.30 0.82 + + ++ ++ +* peak 2949 Upper QD2 LEU 373 - H LEU 386 4.63 9 0.28 1.24 ++ + ++ +*+ + peak 1786 Upper QD2 LEU 373 - HB3 LEU 386 4.07 12 0.80 1.77 ++++ *+ ++++++ peak 3065 Upper QD2 LEU 373 - HG LEU 386 4.96 12 0.70 1.54 ++++ + *+ + ++++ peak 3066 HG LEU 86 - QD2 LEU 373 Upper QD2 LEU 373 - QD1 LEU 386 2.98 19 0.86 1.40 +++++++++++++++ +++* peak 3068 Upper H ARG 374 - H GLU 376 5.50 9 0.35 1.07 +*++ +++ + + peak 305 Upper H ARG 374 - QD1 LEU 384 4.22 6 0.29 1.18 ++ + ++ * peak 3026 Upper HB3 ARG 374 - H GLU 376 4.12 6 0.23 0.90 + + + +*+ peak 1012 H GLU 376 - QE MET 383 Upper HA PRO 375 - HB3 ARG 378 4.44 11 0.76 2.24 ++++ ++ +*+++ peak 2676 Upper HA PRO 375 - HB2 LYS 380 3.45 17 1.26 2.33 +++ +++++*+++++ +++ peak 2692 Upper HA PRO 375 - QE MET 383 3.85 6 0.23 1.01 + + + *+ + peak 1643 Upper HA PRO 375 - QD1 LEU 384 3.95 12 0.86 1.92 + ++++ ++ ++*++ peak 3007 Upper QB PRO 375 - HB2 LYS 380 3.06 14 0.59 1.76 ++ *++ ++ + ++++++ peak 2696 Upper QB PRO 375 - HE2 LYS 380 5.34 6 0.20 0.58 + * + + + + peak 2874 Upper QB PRO 375 - QD1 LEU 384 4.03 10 0.74 2.00 ++++ + ++*++ peak 2697 Upper HD2 PRO 375 - QD1 LEU 384 3.59 10 0.55 1.62 ++ ++ + +* + + + peak 3006 Upper HD3 PRO 375 - QD1 LEU 384 3.09 13 0.52 1.47 ++ +++ +++ + *+++ peak 8315 Upper H GLU 376 - QD1 LEU 384 5.50 6 0.26 1.58 + +++ *+ peak 1008 Upper HG2 GLU 376 - H ARG 378 5.48 7 0.30 0.91 * + + ++ + + peak 1023 Upper HG3 GLU 376 - QG2 VAL 377 4.71 7 0.26 0.92 + + +++ + * peak 8159 Upper H VAL 377 - HB3 ARG 378 4.02 16 0.58 1.17 + +++++++ ++ ++++*+ peak 1019 Upper H VAL 377 - HG3 ARG 378 5.50 8 0.20 0.99 +++ + + + *+ peak 2832 Upper HB VAL 377 - HB3 ARG 378 4.22 10 0.51 1.36 +* ++++ +++ + peak 2776 Upper HB3 ARG 378 - HG2 MET 383 4.19 14 0.47 0.97 + ++++ + +++*++++ peak 2946 Upper H SER 379 - QG GLN 382 4.56 11 0.54 2.24 + +++ *++ ++ ++ peak 2934 Upper H SER 379 - H MET 383 4.95 19 0.83 1.42 +++++++++++++++ +++* peak 349 Upper HA LYS 380 - H MET 383 4.89 9 0.33 1.11 ++ + + ++++ * peak 2903 Upper HA LYS 380 - HB2 MET 383 4.54 6 0.20 0.77 ++ + + + * peak 2991 HB2 MET 383 - HA LEU 384 Upper HA LYS 380 - QE MET 383 3.75 8 0.50 2.02 + ++++ ++ * peak 1639 Upper HB2 LYS 380 - QD1 LEU 384 5.24 8 0.34 0.99 + ++ * + +++ peak 2860 Upper HB3 LYS 380 - QD1 LEU 384 5.14 7 0.25 0.91 + +* + + + + peak 2849 Upper QD LYS 380 - QD1 LEU 384 5.50 11 0.39 0.96 + ++++ + + * +++ peak 2853 Upper H GLU 381 - QE MET 383 4.70 19 0.99 1.66 * ++++++++++++++++++ peak 1649 Upper H GLN 382 - HG2 MET 383 5.50 10 0.80 1.67 ++*+ ++ + +++ peak 2982 Upper HA GLN 382 - H GLU 385 3.73 11 0.27 0.47 +++++*+ + + + + peak 385 Upper HA GLN 382 - H LEU 386 4.68 20 1.26 1.82 +++++++++++*++++++++ peak 381 Upper H MET 383 - HG2 MET 383 4.02 9 0.22 0.51 *+++ + + +++ peak 1068 Upper H MET 383 - QE MET 383 4.03 10 0.30 0.88 * ++ + + + ++ ++ peak 1648 Upper HA MET 383 - H LEU 386 4.46 11 0.79 1.96 ++++ ++ ++++* peak 382 Upper HA MET 383 - QD1 LEU 386 3.66 9 0.29 1.19 +++ ++ + ++* peak 3062 Upper HA MET 383 - QD2 LEU 386 4.08 9 0.30 0.94 +++ ++ + ++* peak 2975 Upper HB2 MET 383 - QB LEU 384 5.12 8 0.24 0.61 +++ + + ++* peak 3000 Upper HG2 MET 383 - QD1 LEU 386 4.59 10 0.40 1.01 + +++ *+ ++ ++ peak 3058 Upper QE MET 383 - QD1 LEU 384 2.90 6 0.24 1.17 + + ++ * + peak 1636 Upper HA LEU 384 - HB2 LEU 387 4.41 12 0.57 2.07 +++++ ++ + ++*+ peak 3131 Upper HA LEU 384 - HG LEU 387 4.53 8 0.37 1.28 +++ ++ * + + peak 3128 Upper HA LEU 384 - H VAL 388 5.03 19 1.00 1.76 ++++*++++++++++ ++++ peak 3020 Upper QB LEU 384 - H GLU 385 3.19 11 0.27 0.64 ++++ ++ + +*++ peak 1087 Upper QB LEU 384 - HB2 LEU 387 4.16 6 0.26 1.49 ++++ + * peak 3001 QB LEU 384 - HB VAL 388 Upper QB LEU 384 - H VAL 388 5.25 8 0.22 0.71 +*++ +++ + peak 3015 QB LEU 84 - H VAL 388 Upper H GLU 385 - QG2 VAL 388 5.20 11 0.44 1.41 + +++ * ++ + + + + peak 1089 Upper HA GLU 385 - QG1 VAL 388 3.76 20 1.45 2.45 ++++*+++++++++++++++ peak 3032 Upper QB GLU 385 - QG1 VAL 388 4.59 19 1.08 1.99 ++++*+++++++ +++++++ peak 3033 Upper HG LEU 386 - H LEU 387 4.46 6 0.18 0.71 + + + +*+ peak 3076 Upper QD2 LEU 386 - HB2 LEU 387 4.41 18 1.05 1.71 + ++++++ +++*+++++++ peak 3052 Upper QD2 LEU 386 - QD1 LEU 387 2.40 16 1.17 2.99 + + ++*+++ ++ ++++++ peak 3049 Upper H LEU 387 - H LEU 389 4.92 11 0.31 1.32 + +++++ + ++ +* peak 366 Upper HA LEU 387 - QD2 LEU 387 3.16 9 0.34 0.91 ++++ + * + + + peak 847 Upper HA LEU 387 - H GLU 390 4.59 9 0.56 1.49 ++++ ++* + + peak 407 Upper QD1 LEU 387 - H LEU 389 3.70 19 1.68 2.50 +++++++++ ++++*+++++ peak 1132 Upper QD2 LEU 387 - H GLU 390 4.96 20 1.67 2.94 +++++++++++++*++++++ peak 3092 Upper HB VAL 388 - H PHE 392 5.50 8 0.40 1.61 + ++ +*+++ peak 1165 Upper QG1 VAL 388 - QD PHE 392 3.72 7 0.28 1.06 + ++ + ++* peak 150 QD PHE 392 - QD1 LEU 393 Upper QG2 VAL 388 - HG2 PRO 412 3.54 16 0.77 1.77 +*+ +++++ +++++ +++ peak 3149 Upper QG2 VAL 388 - HG3 PRO 412 4.28 13 0.87 2.35 +*+ + +++ +++ ++ + peak 3778 Upper HA LEU 389 - QD PHE 392 4.99 6 0.20 0.87 * ++++ + peak 3192 Upper HB2 LEU 389 - HA PRO 412 4.85 18 0.91 1.54 +++++++++ ++++++ ++* peak 3741 Upper HG LEU 389 - H GLU 390 3.93 16 0.53 1.41 + +++++++ +* + +++++ peak 1145 Upper QD1 LEU 389 - HA2 GLY 410 5.50 7 0.28 1.49 + + + + *++ peak 3713 Upper QD1 LEU 389 - HA3 GLY 410 5.35 6 0.23 1.50 + + + + * + peak 3715 Upper QD1 LEU 389 - H SER 411 3.73 20 1.28 2.16 +++++++++++++++*++++ peak 1264 Upper QD2 LEU 389 - QD PHE 392 4.43 11 0.42 1.24 ++ + ++ +*+++ + peak 3200 Upper QD2 LEU 389 - HG3 PRO 412 3.34 12 0.47 1.26 ++++++ ++++ + * peak 3776 Upper QD2 LEU 389 - H GLU 414 4.90 10 0.42 0.95 ++*+ ++ ++ + + peak 1279 Upper QD2 LEU 389 - H ALA 415 3.70 20 1.46 1.92 +*++++++++++++++++++ peak 1287 Upper QD2 LEU 389 - QB ALA 415 4.07 6 0.23 1.04 +*+++ + peak 1680 Upper H GLN 391 - QD PHE 392 5.50 11 0.35 1.04 +++++ *+ ++ + + peak 1149 H GLN 91 - QD PHE 392 Upper HA GLN 391 - HA2 GLY 394 4.01 15 1.27 2.57 *+++ + ++++++++++ peak 3220 Upper HA GLN 391 - H ALA 395 5.16 19 1.15 2.72 ++++++ *++++++++++++ peak 1860 Upper HE21 GLN 391 - H GLY 394 4.66 7 0.24 0.91 ++ * ++ ++ peak 433 H GLY 394 - HE22 GLN 401 Upper HE21 GLN 391 - HA ALA 395 5.47 11 0.92 2.80 ++++ ++ ++++* peak 416 Upper HE21 GLN 391 - QB ALA 395 4.02 9 0.45 1.58 + +++ * + +++ peak 1720 Upper HE22 GLN 391 - H ALA 395 5.05 12 1.02 2.93 + ++++ + ++++*+ peak 446 Upper HE22 GLN 391 - QB ALA 395 5.12 6 0.32 1.51 + + + + +* peak 1719 Upper H PHE 392 - H ALA 395 5.50 6 0.30 1.38 + * + +++ peak 426 Upper H PHE 392 - QB ALA 395 5.50 8 0.36 1.39 ++ + + +*++ peak 1728 Upper QD PHE 392 - QD2 LEU 396 4.53 12 0.63 2.09 +++++ ++ ++*+ + peak 153 Upper QD PHE 392 - QG1 VAL 419 4.13 19 1.07 2.05 ++++++++++++++*++++ peak 151 Upper QE PHE 392 - QD2 LEU 393 3.78 10 0.36 1.04 *+++ + + + ++ + peak 164 Upper QE PHE 392 - QB ALA 395 4.22 6 0.28 1.58 ++ + *++ peak 160 Upper QE PHE 392 - H VAL 419 4.57 20 0.78 1.16 ++++++++++++++*+++++ peak 131 Upper QE PHE 392 - QG1 VAL 419 3.55 7 0.27 1.45 + ++ ++ * + peak 163 Upper HZ PHE 392 - QB ALA 415 4.21 6 0.33 1.55 ++ *+ + + peak 178 Upper HZ PHE 392 - HB VAL 419 4.66 15 0.83 2.78 ++++ +*+ ++++++++ peak 3966 Upper HZ PHE 392 - H ASP 420 5.50 13 0.46 1.71 +++ + + *+ ++++ ++ peak 628 Upper HA LEU 393 - QB ALA 395 4.31 18 0.92 1.75 +++++++++ +*+++++++ peak 3274 Upper HA LEU 393 - HG LEU 396 5.06 7 0.32 1.57 + +++ + + * peak 3330 Upper HB2 LEU 393 - QD1 LEU 396 5.50 9 0.26 0.85 + + +*++ ++ + peak 3258 Upper HB3 LEU 393 - HE21 GLN 401 4.96 12 0.52 1.24 ++ + *++++++++ peak 1199 Upper HG LEU 393 - QD1 LEU 396 4.90 15 0.59 1.31 ++*+ + ++++++ ++++ peak 3265 Upper QD1 LEU 393 - H GLY 394 4.17 14 0.76 1.45 + +++++ +++++++* peak 1179 Upper QD1 LEU 393 - H VAL 404 5.50 8 0.28 1.13 ++ + ++ + *+ peak 3299 QD1 LEU 393 - H ALA 415 QD1 LEU 93 - H ALA 415 Upper QD1 LEU 393 - HA GLN 405 3.79 7 0.28 1.00 + * +++ + + peak 3279 Upper QD1 LEU 393 - QG GLN 405 3.81 6 0.21 0.84 + ++ *++ peak 3273 Upper QD1 LEU 393 - HG3 PRO 409 3.46 14 0.60 1.49 +++++ + ++++ ++ *+ peak 3270 Upper QD1 LEU 393 - HD3 PRO 409 4.08 11 0.47 1.25 +++ + +* +++++ peak 3275 Upper QD2 LEU 393 - QD1 LEU 396 3.05 7 0.29 1.05 *+ +++ + + peak 3318 Upper QD2 LEU 393 - HA GLN 405 3.75 8 0.55 1.47 + * + + ++++ peak 3278 Upper QD2 LEU 393 - HG3 PRO 409 3.73 7 0.23 0.93 *+ + ++ ++ peak 3266 Upper H GLY 394 - HG2 GLN 401 5.10 13 0.68 2.35 +++++ +*++++++ peak 1174 Upper HA2 GLY 394 - HE22 GLN 401 4.51 13 0.76 2.74 + +++++ ++ +++*+ peak 3302 Upper HA3 GLY 394 - HE21 GLN 401 3.56 11 0.47 1.45 + *+++ ++ ++ ++ peak 455 Upper H ALA 395 - QD1 LEU 396 5.41 6 0.16 0.69 + * ++ ++ peak 1113 Upper H LEU 396 - HG LEU 396 3.38 14 0.55 1.39 + +++++ ++++++ +* peak 1185 Upper H LEU 396 - HA GLN 401 4.86 14 1.13 2.26 +++++ +*+++++++ peak 462 Upper H LEU 396 - HG3 GLN 401 5.50 9 0.31 1.26 + +++ + + ++* peak 4101 Upper HB3 LEU 396 - HG2 GLN 401 3.37 8 0.41 2.04 ++ + ++ + +* peak 3599 Upper HB3 LEU 396 - HE22 GLN 401 5.50 10 0.44 1.42 +++* + ++ ++ + peak 1208 Upper QD1 LEU 396 - H ILE 400 4.83 8 0.30 1.04 + ++ ++*+ + peak 234 QD1 LEU 396 - H ARG 403 Upper QD1 LEU 396 - HA VAL 404 5.50 6 0.22 1.06 + + +* + + peak 3590 Upper QD1 LEU 396 - QB ALA 415 3.96 9 0.40 1.44 + + ++ +*+++ peak 1679 Upper QD1 LEU 396 - H VAL 419 4.75 7 0.22 0.84 + ++ + + +* peak 1314 Upper QD1 LEU 396 - QG2 VAL 419 3.51 7 0.28 1.64 +*++ ++ + peak 1754 Upper QD2 LEU 396 - QG2 ILE 400 3.23 20 1.12 2.05 +++*++++++++++++++++ peak 3465 Upper HB2 PRO 397 - HB ILE 400 5.50 19 0.95 1.60 ++++++++++++++++++ * peak 3458 Upper HB3 PRO 397 - HG13 ILE 400 3.89 8 0.25 1.33 + + + + + +*+ peak 3474 HG13 ILE 400 - HB2 GLN 401 Upper HD2 PRO 397 - QG2 ILE 400 5.13 7 0.25 0.96 +++ +* ++ peak 1616 Upper HD3 PRO 397 - QG2 ILE 400 4.17 8 0.30 1.07 +++ *++ ++ peak 1614 Upper HA PRO 398 - HE21 GLN 401 5.31 9 0.41 1.52 * + ++ + ++ + + peak 476 Upper HB ILE 400 - H GLN 401 3.23 10 0.27 0.86 +++ + +++ *+ + peak 1136 H LEU 389 - HG3 PRO 412 Upper HG12 ILE 400 - QG1 VAL 419 4.39 8 0.36 2.59 + + + + + +*+ peak 3953 Upper QD1 ILE 400 - HB2 GLN 401 3.24 15 0.81 1.83 +++++++ ++++ ++ *+ peak 2725 QD1 ILE 400 - HG3 GLN 401 Upper H GLN 401 - HE22 GLN 401 5.50 18 0.71 1.37 ++ ++++++++++++++*+ peak 482 HE22 GLN 101 - H ALA 416 Upper HA GLN 401 - HE22 GLN 401 5.50 11 0.29 0.48 ++ ++ + +++ + * + peak 477 Upper HG3 GLN 401 - QB ALA 402 4.48 18 0.65 1.49 ++++++++ ++++++ *+++ peak 4091 Upper HB VAL 404 - QG2 VAL 419 3.83 6 0.24 0.75 +*+ + + + peak 3955 HG LEU 418 - QG2 VAL 419 QG2 VAL 419 - HG LEU 422 Upper QB GLN 407 - H LEU 418 4.68 19 0.89 1.41 +++++++++++++++ +++* peak 3622 Upper H ARG 408 - HG2 PRO 409 5.50 6 0.25 0.80 + * +++ + peak 1247 Upper HD2 PRO 409 - QD2 LEU 418 4.62 6 0.22 0.70 + +++ * + peak 3939 Upper HA GLU 413 - QB ALA 416 3.42 8 0.21 0.61 *+ +++ + + + peak 3842 Upper HG2 GLU 413 - QB ALA 416 5.50 6 0.21 1.26 + +++ * + peak 3838 Upper HG3 GLU 413 - QB ALA 416 4.51 11 0.73 1.78 ++ ++ ++++* + + peak 3839 Upper H GLU 414 - HG2 GLU 414 3.42 9 0.37 1.12 ++* ++ + ++ + peak 1276 Upper HA GLU 414 - H ALA 416 3.61 20 1.12 1.78 +++++++++++++++++++* peak 3874 Upper HG2 GLU 414 - QD2 LEU 418 3.84 10 0.33 1.03 +++ + +*++ + + peak 3879 Upper HG3 GLU 414 - QD1 LEU 418 3.60 8 0.31 1.06 + + +*++ + + peak 3876 HG3 GLU 414 - QD2 LEU 418 Upper H ALA 417 - HB2 ASP 420 5.50 14 0.65 1.36 ++ +++ *++ + +++ ++ peak 1289 Upper HA ALA 417 - HB3 ASP 420 3.58 8 0.25 0.86 ++ + *+ +++ peak 1485 Upper QB ALA 417 - HB3 ASP 420 4.32 13 0.61 1.40 +++++ + *+ ++++ + peak 1487 Upper HB3 LEU 418 - H VAL 419 3.94 7 0.20 0.46 + + * + + + + peak 1311 Upper HB3 LEU 418 - HG LEU 422 4.98 6 0.18 0.64 + + * +++ peak 4017 Upper HG LEU 418 - HA VAL 419 4.42 18 1.14 1.73 +++++*++ ++++++++++ peak 3943 Upper HB3 ASP 420 - H LEU 422 5.45 6 0.17 0.47 ++ * + + + peak 1323 Upper HA LEU 422 - QD2 LEU 422 2.84 14 0.41 0.73 +++ +* + +++++ +++ peak 565 VdW CB ALA 43 - HH11 ARG 44 2.55 6 0.12 0.45 + * ++ ++ VdW N ARG 44 - NH1 ARG 44 2.95 7 0.16 0.62 *+ + + ++ + VdW HB3 ARG 44 - CZ PHE 47 2.60 7 0.13 0.47 + + ++ + *+ VdW CG ARG 44 - NH1 ARG 44 3.10 7 0.11 0.30 + +* ++ + + VdW CG ARG 44 - HH12 ARG 44 2.55 7 0.14 0.38 + +* ++ + + VdW HD3 ARG 44 - SG CYS 69 2.80 6 0.15 0.63 + * + + + + VdW NE ARG 44 - HA CYS 69 2.45 6 0.16 0.78 ++ * + ++ VdW NE ARG 44 - NE1 TRP 72 2.90 8 0.17 0.44 + +++ *+ + + VdW HE ARG 44 - CE2 TRP 72 2.55 7 0.16 0.67 +++* ++ + VdW HE ARG 44 - CZ2 TRP 72 2.55 7 0.17 0.63 +*++ +++ VdW NH2 ARG 44 - HA CYS 69 2.50 7 0.20 0.95 ++ + + *+ + VdW NH2 ARG 44 - O CYS 69 2.80 7 0.19 0.80 ++ + ++ +* VdW NH2 ARG 44 - CB TRP 72 3.10 7 0.16 0.73 ++ * ++ + + VdW NH2 ARG 44 - HB3 TRP 72 2.50 7 0.25 1.04 ++ * ++ + + VdW NH2 ARG 44 - CG TRP 72 3.10 6 0.13 0.60 + + ++ * + VdW HH22 ARG 44 - CA CYS 69 2.55 6 0.13 0.57 ++ + + +* VdW HH22 ARG 44 - C CYS 69 2.45 6 0.17 0.66 ++ + + +* VdW C ARG 44 - N ARG 46 2.95 9 0.14 0.36 ++ + +* ++ ++ VdW C ARG 44 - H ARG 46 2.45 8 0.15 0.47 + + +* ++ ++ VdW O ARG 44 - N ARG 46 2.75 9 0.18 0.47 *+ + ++ ++ ++ VdW O ARG 44 - N PHE 47 2.75 7 0.14 0.43 + * + ++ ++ VdW O ARG 44 - H PHE 47 1.80 6 0.13 0.45 + * + ++ + VdW O ARG 44 - CD1 PHE 47 2.90 7 0.27 0.87 ++ * ++ ++ VdW O ARG 44 - CE1 PHE 47 2.90 6 0.15 0.55 ++ + * ++ VdW CB PHE 47 - CG LEU 68 3.20 6 0.11 0.36 + + + *++ VdW CB PHE 47 - CD2 LEU 68 3.20 9 0.22 0.58 ++++ *+ ++ + VdW HB3 PHE 47 - CB LEU 68 2.60 9 0.21 0.63 ++ +++ ++* + VdW HB3 PHE 47 - CG LEU 68 2.60 8 0.26 0.81 *+ + ++ ++ + VdW HB3 PHE 47 - CD2 LEU 68 2.60 8 0.31 0.93 ++ + +* ++ + VdW CD1 PHE 47 - C PHE 47 3.10 9 0.14 0.53 + +++ + ++ +* VdW CD1 PHE 47 - HB2 GLN 91 2.60 7 0.15 0.79 + + * ++ ++ VdW HD1 PHE 47 - C PHE 47 2.50 7 0.12 0.70 ++ + ++ +* VdW HD1 PHE 47 - N ARG 48 2.45 6 0.18 0.80 ++ + + +* VdW HD1 PHE 47 - O LEU 65 2.30 7 0.14 0.55 + + ++ + * + VdW CE1 PHE 47 - CB GLN 91 3.20 8 0.21 0.71 + +++ + *+ + VdW CE1 PHE 47 - HB2 GLN 91 2.60 6 0.18 0.75 ++ * ++ + VdW CZ PHE 47 - SG CYS 69 3.40 6 0.14 0.79 +*++ ++ VdW CZ PHE 47 - CB GLN 91 3.20 12 0.29 0.57 + +++++ *+ ++++ VdW CZ PHE 47 - HB3 GLN 91 2.60 12 0.34 0.82 +*+++++ ++ +++ VdW CE2 PHE 47 - SG CYS 69 3.40 10 0.23 0.64 + + +* +++ ++ + VdW CE2 PHE 47 - CB GLN 91 3.20 8 0.19 0.66 + + ++ + + *+ VdW CE2 PHE 47 - HB3 GLN 91 2.60 6 0.14 0.56 + + * + + + VdW HE2 PHE 47 - SG CYS 69 2.80 8 0.24 0.80 ++* + ++ ++ VdW CD2 PHE 47 - HA LEU 65 2.60 6 0.14 0.68 ++ * ++ + VdW HD2 PHE 47 - CA LEU 65 2.60 7 0.13 0.50 + ++ + + * + VdW HD2 PHE 47 - O LEU 65 2.30 7 0.15 0.53 + + + + ++ * VdW C PHE 47 - N CYS 49 2.95 6 0.10 0.32 + ++ * + + VdW C PHE 47 - H CYS 49 2.45 8 0.19 0.47 + + ++ + + * + VdW HB2 PHE 50 - NE2 GLN 91 2.45 6 0.11 0.64 + + + + *+ VdW HB3 PHE 50 - N ALA 95 2.45 6 0.13 0.70 + *+ + ++ VdW HB3 PHE 50 - CA ALA 95 2.60 8 0.20 0.59 ++ ++ ++*+ VdW HB3 PHE 50 - HA ALA 95 2.00 6 0.14 0.63 + + ++* + VdW CD1 PHE 50 - N HIS 51 3.05 10 0.27 0.77 ++*+ + ++ ++ + VdW CD1 PHE 50 - H HIS 51 2.55 8 0.25 0.89 + *+ ++ ++ + VdW CD1 PHE 50 - HA ALA 61 2.60 6 0.13 0.77 + + + ++ * VdW CD1 PHE 50 - CB ALA 95 3.20 9 0.23 0.64 ++++ ++ ++ * VdW CD1 PHE 50 - HB1 ALA 95 2.60 7 0.18 0.78 ++ +* ++ + VdW HD1 PHE 50 - N HIS 51 2.45 8 0.28 0.81 + +* + ++ + + VdW HD1 PHE 50 - H HIS 51 1.95 7 0.13 0.60 + +* + + + + VdW CE1 PHE 50 - O HIS 51 2.90 7 0.12 0.71 +++ ++ *+ VdW CE1 PHE 50 - HE21 GLN 64 2.55 6 0.11 0.54 + + * + ++ VdW HE1 PHE 50 - CG GLU 60 2.60 6 0.14 0.64 + ++ ++ * VdW CZ PHE 50 - C GLU 60 3.10 9 0.21 0.78 * ++ + +++++ VdW CZ PHE 50 - O GLU 60 2.90 8 0.38 1.24 + ++ + +*++ VdW CZ PHE 50 - CG GLN 64 3.20 7 0.16 0.59 + + + +* ++ VdW CZ PHE 50 - HG2 GLN 64 2.60 7 0.20 0.74 + + + +++ * VdW HZ PHE 50 - O GLU 60 2.30 9 0.27 0.95 + ++ + + *+++ VdW CE2 PHE 50 - O GLU 60 2.90 8 0.24 1.33 ++++ ++ + * VdW CE2 PHE 50 - HA ALA 61 2.60 6 0.15 1.12 ++ + * + + VdW CE2 PHE 50 - O ALA 61 2.90 7 0.25 1.00 + ++ + + * + VdW CE2 PHE 50 - H ALA 63 2.55 6 0.11 0.50 + + * ++ + VdW CE2 PHE 50 - N GLN 64 3.05 7 0.14 0.51 + + ++ +* + VdW CE2 PHE 50 - H GLN 64 2.55 6 0.16 0.90 + * + ++ + VdW CE2 PHE 50 - CG GLN 64 3.20 9 0.25 0.75 + ++ + +* ++ + VdW CE2 PHE 50 - HG2 GLN 64 2.60 7 0.30 1.09 + +* ++ + + VdW HE2 PHE 50 - N ALA 63 2.45 6 0.11 0.56 + + * ++ + VdW HE2 PHE 50 - N GLN 64 2.45 9 0.21 0.86 + ++ + ++ +* + VdW HE2 PHE 50 - H GLN 64 1.95 7 0.17 0.81 + *+ + + ++ VdW CD2 PHE 50 - O ALA 61 2.90 11 0.28 0.86 + ++ *+ + ++ ++ + VdW CD2 PHE 50 - CG GLN 64 3.20 8 0.21 0.74 *+++ ++ + + VdW CD2 PHE 50 - CD1 LEU 65 3.20 6 0.09 0.36 + + * + + + VdW HD2 PHE 50 - CD1 LEU 65 2.60 6 0.14 0.63 + +* + + + VdW CA HIS 51 - HA ALA 95 2.60 6 0.20 0.84 ++*+ + + VdW HA HIS 51 - CA ALA 95 2.60 6 0.12 0.48 +++ ++ * VdW HA HIS 51 - HA ALA 95 2.00 7 0.25 0.88 ++*+ ++ + VdW HA TYR 52 - CG2 THR 56 2.60 6 0.24 1.08 ++ + * + + VdW CG TYR 52 - C TYR 52 2.90 8 0.13 0.24 ++++ + + * + VdW CG TYR 52 - CA LEU 96 3.20 6 0.13 0.55 *++ + + + VdW CG TYR 52 - HA LEU 96 2.60 7 0.25 0.87 ++* + + + + VdW CD1 TYR 52 - O TYR 52 2.90 6 0.14 0.80 *++ + + + VdW CE2 TYR 52 - CD PRO 97 3.20 6 0.12 0.52 +* + + ++ VdW CE2 TYR 52 - HD3 PRO 97 2.60 7 0.16 0.71 + +*+ + ++ VdW CD2 TYR 52 - O TYR 52 2.90 8 0.22 0.93 *++ +++ ++ VdW CD2 TYR 52 - HD3 PRO 97 2.60 6 0.17 0.82 ++ + + +* VdW HD2 TYR 52 - O TYR 52 2.30 7 0.20 0.87 ++* + + ++ VdW HD2 TYR 52 - CA GLY 57 2.60 6 0.17 1.13 + ++ * + + VdW C GLU 53 - N ALA 55 2.95 17 0.36 0.59 +++++++ +*+ ++ +++++ VdW C GLU 53 - H ALA 55 2.45 17 0.46 0.87 +++ ++ +*++++++++++ VdW O GLU 53 - C GLU 54 2.80 10 0.21 0.46 ++ + *+ ++ ++ + VdW O GLU 53 - N ALA 55 2.75 17 0.59 1.22 +++++++ +++ ++ *++++ VdW O GLU 53 - H ALA 55 1.80 8 0.17 0.78 + + ++ + * ++ VdW O GLU 53 - N THR 56 2.75 10 0.22 0.65 ++++* + + + ++ VdW O GLU 53 - H THR 56 1.80 7 0.13 0.49 +++ + + *+ VdW CG2 THR 56 - C THR 56 2.90 13 0.20 0.32 +++ + + ++ *+++++ VdW CA GLY 57 - CB ALA 416 3.20 6 0.15 0.76 ++++ * + VdW HA3 GLY 57 - CB ALA 416 2.60 6 0.17 1.00 ++++ * + VdW C GLY 57 - CB ALA 416 3.10 6 0.11 0.50 ++*+ + + VdW N PRO 58 - HB3 PRO 358 2.45 6 0.15 0.64 + + + *+ + VdW CD PRO 58 - CB PRO 358 3.20 6 0.16 0.94 + * + ++ + VdW CD PRO 58 - HB3 PRO 358 2.60 6 0.15 0.76 ++ + + + * VdW CA PRO 58 - N ALA 395 3.05 6 0.14 0.70 * + + +++ VdW CA PRO 58 - CA ALA 395 3.20 6 0.15 1.08 + ++ *++ VdW CB PRO 58 - H GLN 59 2.55 12 0.19 0.34 ++* +++ + +++ + + VdW HB2 PRO 58 - H GLN 59 1.95 6 0.16 0.54 + ++ + + * VdW CG PRO 58 - NE2 GLN 59 3.05 8 0.16 0.56 + + + + ++ *+ VdW CG PRO 58 - HE21 GLN 59 2.55 6 0.14 0.69 + + * + + + VdW HG2 PRO 58 - NE2 GLN 59 2.45 9 0.30 0.83 + + * ++ ++ ++ VdW HG2 PRO 58 - HE21 GLN 59 1.95 7 0.21 0.79 + + + * ++ + VdW HG2 PRO 58 - HE22 GLN 59 1.95 6 0.12 0.43 + + + + +* VdW C PRO 58 - N GLU 60 2.95 10 0.22 0.60 + + + + * + ++ ++ VdW C PRO 58 - H GLU 60 2.45 8 0.25 0.83 + + + + * + ++ VdW C PRO 58 - N GLN 359 2.95 6 0.21 1.49 + ++ *+ + VdW C PRO 58 - CA GLN 359 3.10 6 0.16 0.99 ++++ *+ VdW O PRO 58 - C GLN 59 2.80 11 0.24 0.48 +++ + + *+ ++ ++ VdW O PRO 58 - N GLU 60 2.75 12 0.48 1.27 + + +++ + * + ++ ++ VdW O PRO 58 - N ALA 61 2.75 6 0.12 0.61 + +*+ + + VdW O PRO 58 - CB ALA 395 2.90 6 0.17 1.07 +++ + +* VdW N GLN 59 - NE2 GLN 59 2.90 6 0.13 0.61 + + + ++* VdW N GLN 59 - CA ALA 395 3.05 6 0.30 1.96 ++ ++ * + VdW H GLN 59 - HE21 GLN 59 1.90 6 0.22 0.95 ++ + *+ + VdW CA GLN 59 - HE21 GLN 59 2.55 8 0.16 0.69 + + + + *+ + + VdW CB GLN 59 - HE21 GLN 59 2.55 6 0.11 0.34 * + + + + + VdW CB GLN 59 - CB PRO 358 3.20 7 0.21 1.39 * ++ ++ + + VdW CB GLN 59 - HB2 PRO 358 2.60 9 0.30 1.71 *++++ ++ + + VdW CB GLN 59 - O PRO 358 2.90 6 0.15 0.60 +*++++ VdW CG GLN 59 - HB2 PRO 358 2.60 6 0.18 1.12 * ++ ++ + VdW OE1 GLN 59 - CB ALA 416 2.90 7 0.22 0.92 +++ + *+ + VdW NE2 GLN 59 - CE2 PHE 392 3.05 6 0.17 0.98 * + + ++ + VdW C GLN 59 - N ALA 61 2.95 6 0.11 0.43 * + + + ++ VdW C GLN 59 - CB ALA 361 3.10 6 0.16 1.18 +*+ ++ + VdW C GLN 59 - CD1 LEU 362 3.10 6 0.20 1.09 +++ *+ + VdW C GLN 59 - CB ALA 395 3.10 6 0.21 1.25 + ++ ++ * VdW O GLN 59 - N ALA 61 2.75 6 0.18 0.59 * + + + ++ VdW O GLN 59 - CD1 LEU 62 2.90 6 0.20 0.80 ++ *+ + + VdW O GLN 59 - CD2 LEU 62 2.90 6 0.19 0.99 + ++ +* + VdW O GLN 59 - CG LEU 362 2.90 7 0.24 1.18 ++*+ ++ + VdW O GLN 59 - CD1 LEU 362 2.90 8 0.33 1.33 ++++ +*+ + VdW CA GLU 60 - CB ALA 395 3.20 6 0.19 0.86 + ++ + + * VdW HA GLU 60 - CB ALA 361 2.60 6 0.21 1.02 * ++ + + + VdW CB GLU 60 - O PRO 412 2.90 6 0.23 1.50 ++*+ + + VdW CB GLU 60 - CB ALA 416 3.20 8 0.25 1.07 ++++ ++* + VdW HB3 GLU 60 - CB ALA 416 2.60 8 0.28 1.14 ++++ ++* + VdW CG GLU 60 - C GLU 60 2.90 7 0.13 0.24 + + *++ + + VdW CG GLU 60 - HA GLU 413 2.60 6 0.19 0.88 +*++ + + VdW CA ALA 61 - CB ALA 95 3.20 6 0.12 0.55 + * + ++ + VdW HA ALA 61 - CB ALA 95 2.60 7 0.16 0.69 + + ++ ++ * VdW CB ALA 61 - CB ALA 95 3.20 9 0.24 0.61 ++*+ + +++ + VdW CB ALA 61 - HB1 ALA 95 2.60 6 0.10 0.44 *+ + + + + VdW CB ALA 61 - HB2 ALA 95 2.60 6 0.12 0.45 *+ + +++ VdW HB3 ALA 61 - CB ALA 95 2.60 8 0.16 0.73 *+++ + + + + VdW C ALA 61 - N ALA 63 2.95 9 0.17 0.51 + + +++ + ++ * VdW C ALA 61 - H ALA 63 2.45 11 0.34 0.71 + + *++ + ++ + ++ VdW O ALA 61 - N ALA 63 2.75 8 0.21 0.82 + +++ + ++ * VdW O ALA 61 - CD1 LEU 65 2.90 8 0.27 0.87 + + ++ + + +* VdW O ALA 61 - HD13 LEU 65 2.30 8 0.23 0.85 ++ + * + +++ VdW N LEU 62 - CD1 LEU 62 3.05 7 0.21 0.84 *++ + + + + VdW CA LEU 62 - CD1 LEU 65 3.20 9 0.20 0.68 +++ *+ ++ + + VdW CA LEU 62 - CD2 LEU 65 3.20 7 0.21 0.83 + + + + ++* VdW HA LEU 62 - CD1 LEU 65 2.60 7 0.32 1.07 + + *+ + + + VdW HA LEU 62 - HD12 LEU 65 2.00 6 0.18 0.77 + + + + * + VdW HA LEU 62 - CD2 LEU 65 2.60 9 0.29 1.24 ++ + ++ + ++* VdW CG LEU 62 - C GLN 391 3.10 7 0.21 0.86 +++ + + *+ VdW CG LEU 62 - CA PHE 392 3.20 6 0.14 0.97 ++ ++* + VdW HG LEU 62 - C GLN 391 2.50 7 0.25 1.08 +*++ + ++ VdW HG LEU 62 - N PHE 392 2.45 7 0.22 1.11 +*+ + +++ VdW CD1 LEU 62 - O GLN 359 2.90 7 0.27 1.16 * ++ +++ + VdW CD1 LEU 62 - CA PHE 392 3.20 8 0.25 1.03 +* ++ +++ + VdW CD1 LEU 62 - HA PHE 392 2.60 7 0.21 1.32 +* ++ + + + VdW CD2 LEU 62 - C LEU 62 3.10 6 0.19 0.95 *+ + + + + VdW HD23 LEU 62 - C LEU 62 2.50 6 0.21 0.98 *+ + + + + VdW C LEU 62 - CD2 LEU 65 3.10 7 0.23 1.24 +* + + +++ VdW C LEU 62 - HD22 LEU 65 2.50 7 0.15 0.67 + + + + *++ VdW C LEU 62 - HE21 GLN 391 2.45 6 0.23 1.28 + + ++ + * VdW O LEU 62 - CD2 LEU 65 2.90 6 0.20 1.06 + ++ +* + VdW O LEU 62 - CD GLN 391 2.80 6 0.24 0.99 + ++ * ++ VdW O LEU 62 - NE2 GLN 391 2.75 6 0.29 1.70 + * + + ++ VdW CA ALA 63 - CD2 LEU 365 3.20 7 0.13 0.83 +++ + * ++ VdW CB ALA 63 - CD2 LEU 365 3.20 7 0.17 0.65 +++ + +* + VdW CB ALA 63 - CB PRO 412 3.20 8 0.25 0.92 ++*+ +++ + VdW CB ALA 63 - CG PRO 412 3.20 7 0.25 0.98 +++ +++ * VdW CB ALA 63 - HG3 PRO 412 2.60 6 0.22 0.96 +*+ ++ + VdW HB2 ALA 63 - CG PRO 412 2.60 6 0.15 0.79 +++ * + + VdW C ALA 63 - N LEU 65 2.95 7 0.14 0.48 + + *+ + ++ VdW C ALA 63 - H LEU 65 2.45 8 0.22 0.79 ++++ + * ++ VdW O ALA 63 - N LEU 65 2.75 8 0.24 0.87 + ++ *+ + ++ VdW O ALA 63 - HE1 PHE 347 2.30 6 0.19 0.89 ++ ++ + * VdW N GLN 64 - HG2 GLN 64 2.45 6 0.12 0.41 + + * ++ + VdW H GLN 64 - CG GLN 64 2.55 12 0.20 0.40 ++ + +++ ++++ + * VdW H GLN 64 - HG2 GLN 64 1.95 7 0.19 0.68 + + * ++ + + VdW CD GLN 64 - HB2 GLU 413 2.50 7 0.15 0.85 ++*+ +++ VdW NE2 GLN 64 - O PHE 350 2.75 9 0.28 1.06 +++ + ++++* VdW NE2 GLN 64 - CB GLU 413 3.05 7 0.12 0.54 + *+ +++ + VdW N LEU 65 - CD1 LEU 65 3.05 9 0.27 0.80 + + ++ *+ +++ VdW H LEU 65 - CD1 LEU 65 2.55 7 0.24 0.98 + + + +* ++ VdW CB LEU 65 - HG2 GLN 91 2.60 10 0.23 0.92 + ++ ++ + +* ++ VdW HB3 LEU 65 - HB3 GLN 91 2.00 6 0.14 0.97 + ++ * + + VdW CG LEU 65 - CG GLN 91 3.20 6 0.13 0.46 + * + + ++ VdW CG LEU 65 - HG2 GLN 91 2.60 10 0.16 0.48 ++ + + + ++ *++ VdW CD1 LEU 65 - CB VAL 88 3.20 7 0.16 0.74 + ++ ++* + VdW CD1 LEU 65 - HB VAL 88 2.60 6 0.24 1.16 + *+ + + + VdW CD1 LEU 65 - CG GLN 91 3.20 9 0.21 0.64 + +* + + + +++ VdW CD1 LEU 65 - HG2 GLN 91 2.60 9 0.24 0.83 + ++ + * + ++ + VdW CD2 LEU 65 - CB VAL 88 3.20 8 0.16 0.56 ++* ++ + + + VdW CD2 LEU 65 - HB VAL 88 2.60 8 0.24 0.80 +*+ ++ + + + VdW CD2 LEU 65 - CG GLN 91 3.20 9 0.19 0.66 + +*+ + + + + + VdW CD2 LEU 65 - HG2 GLN 91 2.60 8 0.14 0.64 + +*+ + + + + VdW HD21 LEU 65 - HB VAL 88 2.00 6 0.17 0.69 +*+ + + + VdW O LEU 65 - C ARG 66 2.80 10 0.19 0.46 + + + + + *++++ VdW O LEU 65 - SG CYS 69 3.10 7 0.17 0.75 + *+ ++ + + VdW H ARG 66 - CG ARG 66 2.55 7 0.12 0.35 + + *+++ + VdW CA ARG 66 - SG CYS 69 3.40 8 0.16 0.54 *+ + + +++ + VdW HA ARG 66 - SG CYS 69 2.80 7 0.17 0.61 *+ + + ++ + VdW CG ARG 66 - N GLU 67 3.05 6 0.11 0.41 + + + + * + VdW CD ARG 66 - N GLU 67 3.05 9 0.14 0.54 *+ + ++ + + ++ VdW CD ARG 66 - H GLU 67 2.55 6 0.21 0.91 *+ + + + + VdW C ARG 66 - H LEU 68 2.45 6 0.14 0.47 +*++ + + VdW O ARG 66 - N CYS 69 2.75 9 0.23 0.68 + ++ + * ++++ VdW O ARG 66 - HZ2 TRP 372 2.30 10 0.25 0.85 ++++ ++ +*++ VdW CA GLU 67 - HB2 LEU 384 2.60 9 0.20 0.60 +*++ +++ + + VdW HA GLU 67 - CB LEU 384 2.60 9 0.24 0.72 +*++ +++ + + VdW HA GLU 67 - HB2 LEU 384 2.00 9 0.29 0.89 ++++ *++ + + VdW CG GLU 67 - C GLU 67 2.90 8 0.16 0.24 ++ ++ + *+ + VdW CG GLU 67 - N LEU 68 3.05 9 0.21 0.63 +*+ + +++++ VdW CG GLU 67 - H LEU 68 2.55 6 0.13 0.56 +* + ++ + VdW HG3 GLU 67 - C GLU 67 2.50 10 0.19 0.43 +++ ++* ++ ++ VdW HG3 GLU 67 - N LEU 68 2.45 8 0.19 0.83 *++ + +++ + VdW CB CYS 69 - H ARG 70 2.55 6 0.14 0.29 + + + *++ VdW CB CYS 69 - CA LEU 87 3.20 7 0.15 0.63 + + * + ++ + VdW CB CYS 69 - HA LEU 87 2.60 10 0.31 0.85 ++++ + *++ + + VdW CB CYS 69 - CB LEU 87 3.20 8 0.16 0.53 ++++ ++ * + VdW CB CYS 69 - CG LEU 87 3.20 7 0.12 0.45 +*++ + + + VdW HB2 CYS 69 - H ARG 70 1.95 6 0.13 0.45 + + ++* + VdW HB2 CYS 69 - HA LEU 87 2.00 7 0.17 0.65 ++ +++ * + VdW HB2 CYS 69 - CG LEU 87 2.60 6 0.10 0.51 +* + + + + VdW SG CYS 69 - O LEU 86 3.10 6 0.10 0.43 +*+ ++ + VdW SG CYS 69 - CA LEU 87 3.40 7 0.14 0.38 + + + +* + + VdW SG CYS 69 - HA LEU 87 2.80 7 0.16 0.71 ++ + *++ + VdW SG CYS 69 - CB LEU 87 3.40 7 0.19 0.72 ++++ * + + VdW SG CYS 69 - HB3 LEU 87 2.80 6 0.18 0.92 *+ + + + + VdW SG CYS 69 - C LEU 87 3.30 6 0.15 0.62 +*+ + + + VdW C CYS 69 - N GLN 71 2.95 17 0.28 0.46 +++ ++++++++++* ++ + VdW C CYS 69 - H GLN 71 2.45 6 0.14 0.46 ++ ++ * + VdW C CYS 69 - CE3 TRP 72 3.10 19 0.49 0.73 ++*+++++++++ +++++++ VdW C CYS 69 - HE3 TRP 72 2.50 12 0.29 0.67 ++++ + +++ + ++ * VdW C CYS 69 - CZ3 TRP 72 3.10 9 0.17 0.56 ++++ +* + + + VdW O CYS 69 - C ARG 70 2.80 20 0.46 0.48 +++++++++++++++++++* VdW O CYS 69 - N GLN 71 2.75 20 0.73 0.96 ++++++*+++++++++++++ VdW O CYS 69 - CE3 TRP 72 2.90 15 0.37 0.65 ++++++ + ++ +++ *++ VdW O CYS 69 - HE3 TRP 72 2.30 14 0.37 0.87 ++*++ + ++++ + + ++ VdW N ARG 70 - CE3 TRP 72 3.05 12 0.23 0.55 +++++ + + ++ ++ * VdW N ARG 70 - CZ3 TRP 72 3.05 19 0.43 0.65 ++++++++++*+ +++++++ VdW N ARG 70 - HZ3 TRP 72 2.45 11 0.28 0.84 ++++ ++*+ + + + VdW CA ARG 70 - CE3 TRP 72 3.20 7 0.15 0.28 +++ ++ + * VdW CA ARG 70 - CZ3 TRP 72 3.20 15 0.37 0.78 + +++++*+ ++ + ++++ VdW CA ARG 70 - HZ3 TRP 72 2.60 17 0.39 0.70 +++++*+++ +++ + ++++ VdW CA ARG 70 - CD2 LEU 73 3.20 6 0.13 0.47 ++ +*+ + VdW HA ARG 70 - CZ3 TRP 72 2.60 13 0.32 0.90 + ++++++ +* + +++ VdW HA ARG 70 - HZ3 TRP 72 2.00 14 0.47 1.00 + ++*+++ ++ + ++++ VdW HA ARG 70 - CD2 LEU 73 2.60 9 0.27 0.83 ++++ +*+ + + VdW CB ARG 70 - CE2 TRP 372 3.20 10 0.24 0.64 ++++ ++ +++ * VdW CB ARG 70 - NE1 TRP 372 3.05 6 0.13 0.53 ++ + ++ * VdW CB ARG 70 - CZ2 TRP 372 3.20 7 0.15 0.48 +*++ + + + VdW CB ARG 70 - CG LEU 384 3.20 6 0.13 0.64 +*+ ++ + VdW CB ARG 70 - CD1 LEU 384 3.20 8 0.18 0.73 *++ +++ + + VdW HB2 ARG 70 - CE2 TRP 372 2.60 10 0.29 0.82 *+++ ++ +++ + VdW HB2 ARG 70 - CZ2 TRP 372 2.60 10 0.28 0.82 ++++ ++ *++ + VdW HB2 ARG 70 - HB3 LEU 384 2.00 8 0.18 0.69 +++ +++ * + VdW HB3 ARG 70 - NE1 TRP 372 2.45 6 0.13 0.66 ++ + ++ * VdW HB3 ARG 70 - CG LEU 384 2.60 6 0.20 1.03 +++ + + * VdW HB3 ARG 70 - CD1 LEU 384 2.60 6 0.25 1.05 +*+ + + + VdW CG ARG 70 - HB2 LEU 373 2.60 6 0.12 0.47 ++++ *+ VdW HG3 ARG 70 - O TRP 372 2.30 7 0.15 0.68 + + +* + + + VdW CD ARG 70 - CG LEU 373 3.20 8 0.19 0.92 ++++ *+ + + VdW CD ARG 70 - CD1 LEU 373 3.20 8 0.25 1.03 ++++ +++ * VdW CD ARG 70 - CD2 LEU 373 3.20 9 0.20 0.81 *+++ +++ + + VdW HD2 ARG 70 - CG LEU 373 2.60 6 0.20 1.08 + + ++ * + VdW HD2 ARG 70 - CD2 LEU 373 2.60 7 0.22 0.83 *+ + ++ + + VdW HD3 ARG 70 - CD1 LEU 373 2.60 8 0.26 0.98 +++ ++* + + VdW C ARG 70 - N TRP 72 2.95 10 0.17 0.38 +++ +*+ + + ++ VdW C ARG 70 - H TRP 72 2.45 15 0.38 0.67 ++++ + *+++++ ++++ VdW C ARG 70 - CE3 TRP 72 3.10 6 0.11 0.45 ++ * + + + VdW C ARG 70 - HE3 TRP 72 2.50 14 0.28 0.55 + *+++ + ++ ++++ ++ VdW O ARG 70 - N TRP 72 2.75 10 0.32 0.76 +++ +*+ + + ++ VdW O ARG 70 - H TRP 72 1.80 9 0.25 0.77 +++ +*+ + + + VdW O ARG 70 - HE3 TRP 72 2.30 6 0.11 0.39 +++ + + * VdW H GLN 71 - CG GLN 71 2.55 6 0.13 0.39 ++ *+ + + VdW N TRP 72 - CE3 TRP 72 3.05 6 0.10 0.45 ++ * + + + VdW N TRP 72 - HE3 TRP 72 2.45 6 0.22 0.72 ++ * + + + VdW H TRP 72 - CE3 TRP 72 2.55 6 0.12 0.52 ++ + + + * VdW H TRP 72 - HE3 TRP 72 1.95 10 0.31 0.96 +++* ++ + +++ VdW CG TRP 72 - N LEU 73 3.05 12 0.23 0.53 ++ ++ +++ +++*+ VdW CD2 TRP 72 - N LEU 73 3.05 19 0.51 0.90 ++++++++++++*++++++ VdW CD2 TRP 72 - H LEU 73 2.55 15 0.52 1.37 +++++++ ++* +++++ VdW CE3 TRP 72 - N LEU 73 3.05 19 0.52 1.02 +++++++++ ++*+++++++ VdW CE3 TRP 72 - H LEU 73 2.55 20 0.79 1.28 +++++++*++++++++++++ VdW CE3 TRP 72 - HB3 LEU 73 2.60 12 0.22 0.50 +*+ + ++ ++++++ VdW CE2 TRP 72 - HB3 LEU 73 2.60 6 0.12 0.42 * + ++ ++ VdW HE3 TRP 72 - H LEU 73 1.95 7 0.19 0.76 + *+ + + ++ VdW CZ3 TRP 72 - CB LEU 73 3.20 6 0.14 0.47 * + + + + + VdW CZ3 TRP 72 - HB3 LEU 73 2.60 14 0.40 0.91 + +*+++ ++ ++++++ VdW CZ3 TRP 72 - CD2 LEU 73 3.20 12 0.29 0.80 +++++ + *+ ++ + + VdW CZ3 TRP 72 - HD22 LEU 73 2.60 6 0.21 1.07 + +* + + + VdW CZ2 TRP 72 - HB3 LEU 73 2.60 12 0.23 0.52 + ++* + ++ +++++ VdW CZ2 TRP 72 - HB2 LEU 86 2.60 7 0.15 0.56 ++++ ++* VdW CZ2 TRP 72 - CG LEU 87 3.20 9 0.39 0.99 ++ + +* + +++ VdW CZ2 TRP 72 - HG LEU 87 2.60 9 0.48 1.31 ++ + +* + +++ VdW CZ2 TRP 72 - CD1 LEU 87 3.20 6 0.21 0.80 ++ + + * + VdW CH2 TRP 72 - CB LEU 73 3.20 6 0.14 0.36 *+ + + ++ VdW CH2 TRP 72 - HB3 LEU 73 2.60 15 0.40 0.77 + ++++++ +* ++++++ VdW CH2 TRP 72 - CD2 LEU 73 3.20 7 0.11 0.39 + ++ ++*+ VdW CH2 TRP 72 - CG LEU 87 3.20 9 0.31 1.08 ++++ ++ * + + VdW CH2 TRP 72 - HG LEU 87 2.60 8 0.35 1.18 ++ + ++ + * + VdW CH2 TRP 72 - CD1 LEU 87 3.20 10 0.28 0.90 + ++++ ++*+ + VdW HZ2 TRP 72 - CB LEU 86 2.60 6 0.11 0.57 + ++ ++* VdW HZ2 TRP 72 - HB2 LEU 86 2.00 7 0.16 0.66 + ++ ++* + VdW HZ2 TRP 72 - CG LEU 87 2.60 8 0.27 1.28 ++ + ++ + +* VdW HZ2 TRP 72 - HG LEU 87 2.00 7 0.22 1.03 + + ++ + +* VdW HZ2 TRP 72 - CD1 LEU 87 2.60 6 0.21 0.80 ++ * + + + VdW HH2 TRP 72 - CG LEU 87 2.60 6 0.14 0.80 ++ + + * + VdW HH2 TRP 72 - CD1 LEU 87 2.60 9 0.28 0.91 + ++ + ++*+ + VdW CG LEU 73 - N ARG 74 3.05 8 0.16 0.51 + + * +++ ++ VdW CG LEU 73 - H ARG 74 2.55 7 0.14 0.88 +++ *++ + VdW CG LEU 73 - HD2 ARG 370 2.60 7 0.19 0.84 +++ ++* + VdW CD1 LEU 73 - N ARG 74 3.05 7 0.16 0.65 *+ + +++ + VdW CD1 LEU 73 - CB MET 83 3.20 6 0.12 0.47 + * + +++ VdW CD1 LEU 73 - HB3 MET 83 2.60 11 0.25 0.58 + +* ++ + +++++ VdW CD1 LEU 73 - C MET 83 3.10 9 0.24 0.68 ++ +* + ++ ++ VdW CD1 LEU 73 - N LEU 84 3.05 9 0.24 0.78 + + ++ + ++ *+ VdW CD1 LEU 73 - CA LEU 84 3.20 6 0.13 0.42 + + + + *+ VdW CD1 LEU 73 - CD1 LEU 84 3.20 6 0.15 0.55 +++ + * + VdW CD1 LEU 73 - CD2 LEU 84 3.20 6 0.16 0.73 + + +++* VdW CD1 LEU 73 - CD ARG 370 3.20 9 0.20 0.70 ++++ ++* + + VdW HD12 LEU 73 - N LEU 84 2.45 6 0.12 0.73 + + * + ++ VdW CD2 LEU 73 - N ARG 74 3.05 8 0.18 0.56 * + ++ + +++ VdW CD2 LEU 73 - CD1 LEU 84 3.20 6 0.18 0.79 ++++ + * VdW CD2 LEU 73 - CD ARG 370 3.20 8 0.21 0.86 ++++ +* + + VdW CD2 LEU 73 - HD2 ARG 370 2.60 7 0.22 1.09 ++++ +* + VdW CD2 LEU 73 - CD1 LEU 373 3.20 7 0.20 0.75 ++ +*+++ VdW HD23 LEU 73 - CD1 LEU 373 2.60 6 0.11 0.49 + + +++* VdW O LEU 73 - O ARG 74 2.60 8 0.16 0.39 * ++ ++ +++ VdW O LEU 73 - CE MET 83 2.90 11 0.26 0.64 ++ ++ * + +++++ VdW O LEU 73 - HE1 MET 83 2.30 6 0.14 0.58 + + * ++ + VdW HA ARG 74 - CD PRO 75 2.60 15 0.24 0.31 * + +++++ ++ ++++++ VdW CB ARG 74 - CG1 VAL 77 3.20 8 0.14 0.44 + + + + + * + + VdW CB ARG 74 - CG2 VAL 77 3.20 7 0.13 0.41 + + + +*+ + VdW HB3 ARG 74 - CG1 VAL 77 2.60 10 0.17 0.44 ++ + + +++ * + + VdW HB3 ARG 74 - CG2 VAL 77 2.60 7 0.12 0.50 + + + + ++* VdW HA PRO 75 - O SER 79 2.30 8 0.19 0.55 + + +* + + + + VdW CB PRO 75 - SD MET 383 3.40 7 0.15 0.52 *++ + +++ VdW HB2 PRO 75 - SD MET 383 2.80 7 0.13 0.51 +++* + ++ VdW HG2 PRO 75 - H GLU 76 1.95 7 0.15 0.29 * +++ + + + VdW HG2 PRO 75 - CG ARG 374 2.60 7 0.12 0.40 ++* +++ + VdW HG3 PRO 75 - O ARG 370 2.30 6 0.13 0.59 *+ ++ + + VdW HD3 PRO 75 - CD1 LEU 373 2.60 8 0.21 0.84 ++* + + +++ VdW C PRO 75 - N VAL 77 2.95 14 0.25 0.42 ++*++ ++++ +++ ++ VdW C PRO 75 - H VAL 77 2.45 20 0.45 0.68 ++*+++++++++++++++++ VdW O PRO 75 - N VAL 77 2.75 11 0.21 0.57 ++*++ ++++ + + VdW HB3 GLU 76 - HB VAL 377 2.00 6 0.11 0.44 + + ++ * + VdW CG GLU 76 - C GLU 76 2.90 7 0.16 0.24 + + ++*++ VdW CG GLU 76 - O GLU 76 2.90 7 0.13 0.36 + +++ ++ * VdW HG3 GLU 76 - O GLU 76 2.30 9 0.19 0.47 ++ ++++ *+ + VdW N VAL 77 - CG1 VAL 77 2.85 10 0.13 0.24 ++ + + +*+ + + + VdW CG2 VAL 77 - C VAL 77 2.90 12 0.18 0.32 +++++ + +*+ + + + VdW CB ARG 78 - H SER 79 2.55 18 0.32 0.40 ++++++++++++ ++++*+ VdW HB2 ARG 78 - CE MET 83 2.60 6 0.11 0.34 + + ++ + * VdW HB3 ARG 78 - H SER 79 1.95 8 0.22 0.46 + +++ + + * + VdW O SER 79 - CB MET 83 2.90 7 0.15 0.54 + + + * + ++ VdW O SER 79 - HB2 MET 83 2.30 7 0.18 0.88 ++ + * + ++ VdW O SER 79 - CE MET 83 2.90 8 0.14 0.42 ++ +* + + ++ VdW N LYS 80 - HG3 LYS 80 2.45 6 0.11 0.41 *++ + ++ VdW O LYS 80 - CD2 LEU 84 2.90 11 0.23 0.68 + +++++ * + + + + VdW O MET 83 - CD2 LEU 86 2.90 9 0.29 0.87 ++ + + +* + + + VdW O MET 83 - HD21 LEU 86 2.30 6 0.09 0.45 *+ ++ ++ VdW O MET 83 - HD22 LEU 86 2.30 6 0.12 0.69 + + +* + + VdW N LEU 84 - CD2 LEU 84 3.05 6 0.17 0.93 + + + ++ * VdW H LEU 84 - CD2 LEU 84 2.55 10 0.24 1.00 + + + ++ +++ * + VdW CA LEU 84 - CD1 LEU 87 3.20 7 0.14 0.62 + + + +++ * VdW HA LEU 84 - CD1 LEU 87 2.60 8 0.21 0.65 + * + + +++ + VdW CB LEU 84 - HA GLU 367 2.60 9 0.28 0.81 +++* +++ + + VdW CB LEU 84 - CB ARG 370 3.20 6 0.16 0.55 +++ ++ * VdW CB LEU 84 - HB3 ARG 370 2.60 6 0.14 0.66 + + ++ * + VdW CB LEU 84 - CD2 LEU 386 3.20 9 0.18 0.70 +*++ ++ +++ VdW HB2 LEU 84 - CA GLU 367 2.60 9 0.24 0.92 +++* +++ + + VdW HB2 LEU 84 - HA GLU 367 2.00 9 0.33 1.27 +++* +++ + + VdW HB2 LEU 84 - CD2 LEU 386 2.60 10 0.28 0.89 +*++ ++ + +++ VdW HB2 LEU 84 - HD23 LEU 386 2.00 6 0.14 0.64 *++ + + + VdW HB3 LEU 84 - CB ARG 370 2.60 8 0.26 0.94 ++++ ++ * + VdW HB3 LEU 84 - HB2 ARG 370 2.00 8 0.20 0.72 +++* +++ + VdW HB3 LEU 84 - CD1 LEU 387 2.60 7 0.18 0.74 +*+ ++ + + VdW CG LEU 84 - HB3 ARG 370 2.60 8 0.25 0.91 ++* +++ + + VdW CG LEU 84 - HA LEU 384 2.60 6 0.12 0.49 ++++ * + VdW HG LEU 84 - HA LEU 384 2.00 7 0.21 0.91 ++++ + * + VdW C LEU 84 - N LEU 86 2.95 11 0.28 0.52 *+++ ++ +++++ VdW C LEU 84 - H LEU 86 2.45 11 0.38 0.83 ++++ ++ +*+++ VdW O LEU 84 - N LEU 86 2.75 11 0.41 0.88 ++++ ++ +*+++ VdW O LEU 84 - N LEU 87 2.75 12 0.26 0.56 + ++++++ + *+ ++ VdW O LEU 84 - H LEU 87 1.80 11 0.24 0.58 ++++++ * ++ ++ VdW O LEU 84 - CD1 LEU 87 2.90 9 0.26 0.78 ++ + *+ ++++ VdW O LEU 84 - HD13 LEU 87 2.30 6 0.16 0.91 ++ ++ +* VdW O LEU 84 - CD2 LEU 87 2.90 6 0.17 0.71 * ++ + + + VdW O LEU 84 - HD21 LEU 87 2.30 6 0.14 0.66 + + + + * + VdW O GLU 85 - CB LEU 89 2.90 7 0.15 0.49 + * + + ++ + VdW O GLU 85 - HB3 LEU 89 2.30 7 0.22 0.79 ++ + + + * + VdW N LEU 86 - CD1 LEU 86 3.05 9 0.17 0.52 *+ + +++ ++ + VdW H LEU 86 - CD1 LEU 86 2.55 6 0.13 0.58 + + + + *+ VdW N LEU 87 - CD1 LEU 87 3.05 6 0.15 0.63 + + +*++ VdW CB LEU 87 - H VAL 88 2.55 6 0.10 0.38 ++ ++ + * VdW CD1 LEU 87 - CD1 LEU 387 3.20 8 0.22 0.73 + *+ + + + ++ VdW CD2 LEU 87 - CG LEU 387 3.20 7 0.13 0.61 *++ ++ + + VdW CD2 LEU 87 - HG LEU 387 2.60 7 0.23 1.02 *++ ++ + + VdW CD2 LEU 87 - CD1 LEU 387 3.20 8 0.21 0.68 + ++ + * +++ VdW N VAL 88 - CG1 VAL 88 2.85 6 0.10 0.24 + +* + + + VdW CG2 VAL 88 - C VAL 88 2.90 8 0.15 0.33 +++* + + + + VdW CG2 VAL 88 - N LEU 89 3.05 11 0.22 0.52 +++ *+ + + ++ ++ VdW C VAL 88 - N GLU 90 2.95 7 0.13 0.37 + +* + + + + VdW O VAL 88 - C LEU 89 2.80 16 0.30 0.48 *+++++ + + ++++ ++++ VdW O VAL 88 - N GLU 90 2.75 10 0.28 0.92 + *+ + +++ + ++ VdW O VAL 88 - N GLN 91 2.75 15 0.45 0.82 *+++ + ++++ ++ + +++ VdW O VAL 88 - H GLN 91 1.80 10 0.27 0.64 ++++ + ++ + *+ VdW CB LEU 89 - HD3 PRO 112 2.60 6 0.13 0.39 + + * ++ + VdW CD1 LEU 89 - C LEU 89 3.10 10 0.24 0.66 +++*++ ++ ++ VdW CD1 LEU 89 - HA SER 111 2.60 7 0.14 0.58 +++ +++ * VdW CD1 LEU 89 - HD3 PRO 112 2.60 6 0.13 0.62 +++ * + + VdW C LEU 89 - H GLN 91 2.45 6 0.13 0.61 +++ + * + VdW CG GLN 91 - C GLN 91 2.90 12 0.19 0.24 + ++* ++ ++++ ++ VdW CG GLN 91 - N PHE 92 3.05 9 0.20 0.41 +++++ + *+ + VdW HG3 GLN 91 - C GLN 91 2.50 7 0.15 0.46 +*+ ++ ++ VdW HG3 GLN 91 - N PHE 92 2.45 16 0.30 0.57 + +++++ +*++++++++ VdW CD GLN 91 - C GLN 91 3.00 8 0.17 0.57 +++ ++ ++ * VdW O GLN 91 - C PHE 92 2.80 20 0.36 0.48 +++++++++++*++++++++ VdW O GLN 91 - N LEU 93 2.75 10 0.29 0.81 ++ * ++ +++++ VdW O GLN 91 - N GLY 94 2.75 13 0.32 0.68 +++++ ++ +*++++ VdW O GLN 91 - H GLY 94 1.80 6 0.15 0.63 ++ ++ +* VdW CB PHE 92 - HB3 PRO 112 2.60 6 0.17 0.78 *++ ++ + VdW HB2 PHE 92 - HB3 PRO 112 2.00 7 0.16 0.68 +++ * ++ + VdW CE1 PHE 92 - CB ALA 115 3.20 9 0.19 0.66 ++ + * ++++ + VdW CZ PHE 92 - CA GLY 394 3.20 7 0.26 1.17 + + + ++*+ VdW HZ PHE 92 - N ALA 116 2.45 6 0.14 0.77 + *+ + + + VdW HZ PHE 92 - CA ALA 116 2.60 6 0.17 0.93 + + * ++ + VdW HZ PHE 92 - HA ALA 116 2.00 6 0.14 0.59 + ++* + + VdW CD2 PHE 92 - C PHE 92 3.10 6 0.10 0.43 + ++ * + + VdW HD2 PHE 92 - N LEU 93 2.45 6 0.13 0.56 + *+ + + + VdW C PHE 92 - N GLY 94 2.95 14 0.26 0.46 *++++++ +++ +++ + VdW C PHE 92 - H GLY 94 2.45 14 0.34 0.71 ++++*+++ + + +++ + VdW O PHE 92 - C LEU 93 2.80 8 0.16 0.43 *+++ ++ + + VdW O PHE 92 - N GLY 94 2.75 12 0.43 1.13 *++++++ +++ + + VdW O PHE 92 - N ALA 95 2.75 9 0.28 0.82 ++++ ++* + + VdW O PHE 92 - H ALA 95 1.80 9 0.23 0.76 ++++ ++* + + VdW CA LEU 93 - CD1 LEU 93 3.00 7 0.13 0.26 ++ ++ +* + VdW HA LEU 93 - CD1 LEU 93 2.60 7 0.14 0.42 + + + + + *+ VdW O LEU 93 - CD GLN 101 2.80 9 0.19 0.64 ++ +++*+ + + VdW O LEU 93 - NE2 GLN 101 2.75 9 0.27 0.79 + ++ ++*+ + + VdW HA2 GLY 94 - NE2 GLN 101 2.45 6 0.09 0.40 ++*+ + + VdW H LEU 96 - CD2 LEU 96 2.55 6 0.15 0.81 + + + + +* VdW CD1 LEU 96 - CD1 ILE 100 3.20 6 0.17 0.59 * ++ ++ + VdW CD2 LEU 96 - CB GLN 101 3.20 6 0.09 0.35 * ++ ++ + VdW O LEU 96 - NE2 GLN 101 2.75 17 0.38 0.64 +++++++ ++++ *+++ ++ VdW O PRO 97 - CB GLN 101 2.90 16 0.46 0.83 ++++ + +++++*+ + +++ VdW O PRO 97 - HB2 GLN 101 2.30 11 0.27 0.69 + + + * ++++ + ++ VdW O PRO 97 - HB3 GLN 101 2.30 11 0.28 0.90 ++++ * + ++ + + + VdW O PRO 98 - CB ALA 102 2.90 7 0.14 0.53 ++*+ + + + VdW CG1 ILE 100 - C ILE 100 2.90 7 0.11 0.32 + ++ *+ + + VdW HG13 ILE 100 - C ILE 100 2.50 9 0.17 0.43 + ++ ++ ++* + VdW CD1 ILE 100 - CG2 VAL 119 3.20 6 0.12 0.52 * +++ ++ VdW O GLN 101 - CG1 VAL 104 2.90 8 0.16 0.51 ++ ++ *+++ VdW O GLN 107 - C ARG 108 2.80 14 0.26 0.41 + ++ ++++*++ +++ + VdW HB3 PRO 109 - CD1 LEU 118 2.60 6 0.13 0.52 + +* ++ + VdW CB PRO 112 - CB ALA 363 3.20 7 0.19 1.05 +++* ++ + VdW HG2 PRO 112 - H GLU 113 1.95 6 0.15 0.29 + + + * ++ VdW C PRO 112 - N GLU 114 2.95 6 0.11 0.42 ++++ +* VdW O PRO 112 - N ALA 115 2.75 8 0.20 0.74 *+++ + + ++ VdW N GLU 113 - NE2 GLN 364 2.90 7 0.20 0.98 +++ ++ * + VdW CG GLU 114 - C GLU 114 2.90 11 0.15 0.24 + + + + *+ +++++ VdW HG3 GLU 114 - C GLU 114 2.50 14 0.28 0.51 + + + ++++ ++++++ * VdW O GLU 114 - CG LEU 118 2.90 6 0.12 0.49 * ++ + ++ VdW O GLU 114 - HG LEU 118 2.30 6 0.14 0.56 * ++ + ++ VdW HA ALA 115 - HG LEU 118 2.00 6 0.12 0.39 + ++ + * + VdW HA ALA 115 - CD2 LEU 118 2.60 7 0.15 0.75 * + + ++ ++ VdW O ALA 115 - N ALA 117 2.75 6 0.13 0.89 + + +++* VdW O ALA 115 - HG LEU 118 2.30 6 0.14 0.42 *+ + + + + VdW O ALA 115 - CG1 VAL 119 2.90 8 0.19 0.78 ++* +++ + + VdW CA ALA 116 - O LEU 393 2.90 6 0.14 0.99 * + + +++ VdW CB ALA 116 - CB LEU 393 3.20 6 0.21 1.62 * + + +++ VdW CB ALA 116 - C LEU 393 3.10 7 0.20 0.87 +*++ + ++ VdW CB ALA 116 - O LEU 393 2.90 8 0.26 0.97 +++* ++ + + VdW O ALA 116 - CG2 VAL 119 2.90 6 0.13 0.49 + + *++ + VdW O ALA 116 - CG GLN 401 2.90 6 0.23 1.47 + + + +*+ VdW H LEU 118 - CG LEU 118 2.55 11 0.17 0.34 *+ +++ + ++++ + VdW CD1 LEU 118 - C LEU 118 3.10 6 0.09 0.37 + + * ++ + VdW H VAL 119 - CG1 VAL 119 2.55 10 0.15 0.42 + + +*++ + + ++ VdW CG2 VAL 119 - C VAL 119 2.90 6 0.12 0.31 + + * + + + VdW CG2 VAL 119 - N ASP 120 3.05 10 0.20 0.54 ++ ++++ + * ++ VdW CB ASP 120 - HB3 GLN 401 2.60 6 0.10 0.56 + + + +*+ VdW CD ARG 344 - SG CYS 369 3.40 6 0.13 0.63 + *++ + + VdW HD3 ARG 344 - SG CYS 369 2.80 8 0.13 0.57 +++ +++ * + VdW HE ARG 344 - CZ2 TRP 372 2.55 7 0.14 0.54 + ++ +* + + VdW CE1 PHE 347 - CB GLN 391 3.20 6 0.10 0.45 + + *++ + VdW CZ PHE 347 - CB GLN 391 3.20 7 0.16 0.56 ++++ +* + VdW CZ PHE 347 - HB3 GLN 391 2.60 7 0.22 0.85 ++++ *+ + VdW CE2 PHE 347 - SG CYS 369 3.40 8 0.24 1.17 ++ + +++ *+ VdW HE2 PHE 347 - O LEU 387 2.30 6 0.17 0.88 *+ + + + + VdW CD2 PHE 347 - CB LEU 365 3.20 6 0.11 0.43 ++ + + + * VdW HD2 PHE 347 - O LEU 365 2.30 6 0.15 0.79 ++ + + +* VdW C PHE 347 - H CYS 349 2.45 7 0.12 0.43 ++* ++ + + VdW C ARG 348 - H PHE 350 2.45 8 0.19 0.61 ++* ++ ++ + VdW O ARG 348 - N PHE 350 2.75 6 0.14 0.65 * ++ ++ + VdW CE1 PHE 350 - CA ALA 361 3.20 8 0.18 0.90 + ++* + + + + VdW HE1 PHE 350 - CA ALA 361 2.60 6 0.23 1.09 ++++* + VdW CA HIS 351 - CA ALA 395 3.20 6 0.13 0.63 +++ + * + VdW CA HIS 351 - HA ALA 395 2.60 8 0.28 0.87 ++++ ++* + VdW HA HIS 351 - HA ALA 395 2.00 8 0.29 1.13 ++++ ++* + VdW CB HIS 351 - O GLY 394 2.90 6 0.18 0.83 +++* ++ VdW CB HIS 351 - CA ALA 395 3.20 7 0.17 0.88 ++++ ++ * VdW CB HIS 351 - HA ALA 395 2.60 7 0.20 0.93 ++++ ++ * VdW HB2 HIS 351 - O GLY 394 2.30 6 0.15 0.84 ++++ +* VdW HB2 HIS 351 - CA ALA 395 2.60 7 0.18 0.62 +++* ++ + VdW HB2 HIS 351 - C ALA 395 2.50 7 0.21 0.94 ++++ ++ * VdW CB TYR 352 - HA PRO 358 2.60 8 0.24 1.00 * +++++ + + VdW CG TYR 352 - C TYR 352 2.90 9 0.13 0.24 ++ +* +++ + + VdW CG TYR 352 - CA PRO 358 3.20 8 0.23 0.77 +*++ + ++ + VdW CG TYR 352 - HA PRO 358 2.60 9 0.31 1.12 +*+++ + ++ + VdW CD1 TYR 352 - C GLY 357 3.10 9 0.22 0.83 ++++++ +*+ VdW CD1 TYR 352 - N PRO 358 3.05 8 0.25 0.91 *+++ ++ ++ VdW CD1 TYR 352 - CD PRO 358 3.20 6 0.12 0.56 * + + + + + VdW CD1 TYR 352 - CA PRO 358 3.20 7 0.23 1.02 +*++ ++ + VdW CD1 TYR 352 - HA PRO 358 2.60 6 0.19 1.17 +*++ + + VdW CD1 TYR 352 - HD3 PRO 358 2.60 6 0.13 0.80 + + + + * + VdW HD1 TYR 352 - C GLY 357 2.50 6 0.21 0.99 +*++ ++ VdW CE1 TYR 352 - CD PRO 358 3.20 8 0.20 0.66 + ++++++ * VdW CE1 TYR 352 - HD3 PRO 358 2.60 11 0.32 1.14 + ++ +++++++ * VdW CZ TYR 352 - HD3 PRO 358 2.60 9 0.20 0.70 + + *+++++ + VdW C GLU 353 - N ALA 355 2.95 13 0.22 0.50 ++++ +*+++ + +++ VdW C GLU 353 - H ALA 355 2.45 12 0.26 0.84 +++ +*+ + +++++ VdW O GLU 353 - N ALA 355 2.75 13 0.37 1.17 ++++ ++*++ + +++ VdW O GLU 353 - N THR 356 2.75 7 0.13 0.36 +++ + + +* VdW O GLU 353 - N GLY 357 2.75 9 0.20 0.56 + +++ *+ + ++ VdW CG2 THR 356 - C THR 356 2.90 16 0.25 0.32 + + +++++ +++*+++++ VdW CG2 THR 356 - O THR 356 2.90 6 0.17 0.83 + +++ * + VdW CG2 THR 356 - CG GLU 360 3.20 6 0.09 0.29 ++ *+++ VdW HA2 GLY 357 - CD PRO 358 2.60 8 0.12 0.30 + ++ ++* + + VdW N PRO 358 - NE2 GLN 359 2.90 7 0.20 1.02 ++ + ++ * + VdW CD PRO 358 - NE2 GLN 359 3.05 11 0.25 0.68 ++++ ++ +*+++ VdW CD PRO 358 - HE22 GLN 359 2.55 9 0.37 1.11 ++++ + +*++ VdW CG PRO 358 - NE2 GLN 359 3.05 6 0.11 0.42 + + + + *+ VdW CG PRO 358 - HE22 GLN 359 2.55 6 0.12 0.46 + * ++++ VdW HG3 PRO 358 - CG LEU 396 2.60 7 0.21 1.07 +++ +* + + VdW HG3 PRO 358 - CD2 LEU 396 2.60 6 0.25 1.09 + ++ +* + VdW HD2 PRO 358 - NE2 GLN 359 2.45 9 0.16 0.67 +++ +* ++++ VdW HD2 PRO 358 - HE22 GLN 359 1.95 11 0.29 0.83 + ++++ ++ ++*+ VdW C PRO 358 - N GLU 360 2.95 11 0.23 0.51 + * + ++ ++ + + ++ VdW C PRO 358 - H GLU 360 2.45 9 0.26 0.79 * ++ + + + + ++ VdW O PRO 358 - C GLN 359 2.80 8 0.18 0.43 + * + ++ + ++ VdW O PRO 358 - N GLU 360 2.75 12 0.36 0.79 + * + ++ ++++ + ++ VdW O PRO 358 - N ALA 361 2.75 10 0.18 0.44 + + +* +++ + ++ VdW O PRO 358 - H ALA 361 1.80 7 0.13 0.33 + + * ++ + + VdW N GLN 359 - CD GLN 359 2.95 7 0.20 0.63 + + + + *++ VdW N GLN 359 - NE2 GLN 359 2.90 10 0.36 1.02 +++* + +++++ VdW H GLN 359 - CD GLN 359 2.45 8 0.25 0.86 + *++ + +++ VdW H GLN 359 - HE21 GLN 359 1.90 6 0.15 0.63 ++ * + ++ VdW HA GLN 359 - CZ PHE 392 2.60 6 0.19 0.92 ++ *+ + + VdW CG GLN 359 - HA ALA 417 2.60 7 0.18 0.67 + ++ *+ + + VdW C GLN 359 - N ALA 361 2.95 9 0.17 0.47 * +++ ++ + ++ VdW C GLN 359 - H ALA 361 2.45 8 0.21 0.56 + +* ++ + ++ VdW O GLN 359 - N ALA 361 2.75 9 0.20 0.84 * +++ ++ + ++ VdW O GLU 360 - CG GLN 364 2.90 7 0.13 0.43 * + + ++ ++ VdW O GLU 360 - HG3 GLN 364 2.30 7 0.19 0.74 + + * + +++ VdW C ALA 361 - N ALA 363 2.95 11 0.27 0.67 ++++ + +++ * + + VdW C ALA 361 - H ALA 363 2.45 12 0.37 0.92 ++++ + +++ +* + + VdW C ALA 361 - CG LEU 365 3.10 6 0.15 0.55 * + ++ ++ VdW C ALA 361 - HG LEU 365 2.50 7 0.20 0.69 ++ + ++ +* VdW C ALA 361 - CD1 LEU 365 3.10 7 0.16 0.63 + ++ ++*+ VdW O ALA 361 - N ALA 363 2.75 11 0.40 1.26 ++++ + +++ * + + VdW O ALA 361 - H ALA 363 1.80 6 0.16 0.84 + + +++ * VdW O ALA 361 - N LEU 365 2.75 6 0.17 0.65 ++ * +++ VdW O ALA 361 - CG LEU 365 2.90 7 0.20 1.00 + + * + ++ + VdW O ALA 361 - HG LEU 365 2.30 6 0.25 0.89 + + +* ++ VdW O ALA 361 - CD1 LEU 365 2.90 6 0.14 0.84 *+ + + ++ VdW CA LEU 362 - CD1 LEU 362 3.00 6 0.12 0.26 * ++ + + + VdW CA LEU 362 - CD1 LEU 365 3.20 6 0.15 0.69 + + ++ * + VdW HA LEU 362 - CD1 LEU 365 2.60 6 0.20 0.99 + ++ + + * VdW CB LEU 362 - HB2 PRO 412 2.60 10 0.28 0.90 ++++ +* ++++ VdW HB3 LEU 362 - HB2 PRO 412 2.00 9 0.24 1.02 +++ +* ++++ VdW CG LEU 362 - CB PHE 392 3.20 6 0.27 1.14 *+ ++ + + VdW CG LEU 362 - CB PRO 412 3.20 7 0.19 0.80 + + * ++++ VdW CG LEU 362 - HB2 PRO 412 2.60 10 0.28 1.14 +++ *+ +++++ VdW HG LEU 362 - CB PRO 412 2.60 7 0.18 0.80 + + * ++++ VdW CD1 LEU 362 - CB PHE 392 3.20 8 0.31 1.38 + *+ + ++++ VdW CD1 LEU 362 - HB2 PHE 392 2.60 8 0.31 1.80 ++* + ++++ VdW HD13 LEU 362 - HB2 PHE 392 2.00 6 0.15 0.94 +*+ +++ VdW CD2 LEU 362 - CB PHE 392 3.20 6 0.25 1.79 + ++ + * + VdW CD2 LEU 362 - CD1 PHE 392 3.20 6 0.18 0.89 + + *++ + VdW O LEU 362 - CD2 LEU 365 2.90 6 0.15 0.97 +++ *++ VdW N GLN 364 - HG2 GLN 364 2.45 7 0.16 0.45 ++ *+ + ++ VdW O GLN 364 - C LEU 365 2.80 6 0.10 0.34 * ++ + ++ VdW O GLN 364 - N ARG 366 2.75 8 0.14 0.74 ++++ ++ + * VdW O GLN 364 - HB2 LEU 368 2.30 8 0.19 0.86 * ++ ++ +++ VdW CB LEU 365 - HG2 GLN 391 2.60 6 0.12 0.80 + ++ ++ * VdW CG LEU 365 - HG2 GLN 391 2.60 6 0.14 0.77 + +* ++ + VdW CD1 LEU 365 - CG GLN 391 3.20 6 0.14 0.88 + + +* + + VdW O LEU 365 - C ARG 366 2.80 7 0.18 0.48 + ++ + ++* VdW CA ARG 366 - CB VAL 388 3.20 6 0.12 0.47 +++* + + VdW CA ARG 366 - CG1 VAL 388 3.20 7 0.16 0.64 ++++ + *+ VdW HA ARG 366 - CB VAL 388 2.60 9 0.26 0.88 *+++ ++ + ++ VdW HA ARG 366 - CG1 VAL 388 2.60 9 0.31 1.02 ++++ + + +*+ VdW HA ARG 366 - CG2 VAL 388 2.60 6 0.20 0.91 ++* + ++ VdW C ARG 366 - H LEU 368 2.45 7 0.13 0.60 ++++ +* + VdW C GLU 367 - N CYS 369 2.95 6 0.13 0.35 + + * ++ + VdW O GLU 367 - C LEU 368 2.80 9 0.14 0.42 ++ * ++ +++ + VdW O GLU 367 - N CYS 369 2.75 10 0.20 0.66 + * +++ +++++ VdW HA LEU 368 - CD1 LEU 368 2.60 7 0.14 0.44 *+++ + + + VdW CB CYS 369 - CA LEU 387 3.20 7 0.18 0.59 +*+ ++ + + VdW CB CYS 369 - HA LEU 387 2.60 9 0.28 1.00 ++++ *++ + + VdW HB2 CYS 369 - CA LEU 387 2.60 7 0.16 0.71 + ++ ++ + * VdW HB2 CYS 369 - HA LEU 387 2.00 7 0.21 0.93 + + +++ + * VdW HB3 CYS 369 - CZ3 TRP 372 2.60 7 0.16 0.66 *++ ++ + + VdW SG CYS 369 - HA LEU 387 2.80 7 0.21 1.18 +*++ ++ + VdW C CYS 369 - N GLN 371 2.95 13 0.23 0.40 +* + + ++++++ + + + VdW C CYS 369 - CE3 TRP 372 3.10 20 0.52 0.78 +++++++++++*++++++++ VdW C CYS 369 - HE3 TRP 372 2.50 11 0.20 0.54 + ++++ +++* + + VdW C CYS 369 - CZ3 TRP 372 3.10 13 0.31 0.80 + ++++ ++ +*++++ VdW O CYS 369 - C ARG 370 2.80 16 0.35 0.48 +++++++ +*++++ + + + VdW O CYS 369 - N GLN 371 2.75 16 0.53 1.00 +*+++++ ++++++ + + + VdW O CYS 369 - CE3 TRP 372 2.90 18 0.62 1.09 + +++++++ ++++*+++++ VdW O CYS 369 - HE3 TRP 372 2.30 17 0.50 1.11 +++++++ +++*+++++ + VdW N ARG 370 - CE3 TRP 372 3.05 10 0.17 0.37 +++*++ ++ + + VdW N ARG 370 - CZ3 TRP 372 3.05 19 0.44 0.74 ++++++++++++++++ ++* VdW N ARG 370 - HZ3 TRP 372 2.45 14 0.35 1.06 +++++++ ++ ++ * ++ VdW CA ARG 370 - CE3 TRP 372 3.20 8 0.17 0.34 +++ * + + ++ VdW CA ARG 370 - CZ3 TRP 372 3.20 18 0.40 0.78 +++++++* ++++ ++++++ VdW CA ARG 370 - HZ3 TRP 372 2.60 20 0.52 0.77 ++++++++++++*+++++++ VdW HA ARG 370 - CZ3 TRP 372 2.60 15 0.38 1.05 +++++* +++ ++++++ VdW HA ARG 370 - HZ3 TRP 372 2.00 18 0.60 1.14 ++++++*+++++++ ++++ VdW HA ARG 370 - CD2 LEU 373 2.60 7 0.18 0.63 *+ + +++ + VdW CB ARG 370 - HH12 ARG 370 2.55 6 0.16 0.83 +*+ ++ + VdW HB2 ARG 370 - HH12 ARG 370 1.95 6 0.15 0.83 ++* ++ + VdW CG ARG 370 - NH1 ARG 370 3.10 6 0.15 0.68 + +* +++ VdW CG ARG 370 - HH12 ARG 370 2.55 7 0.20 0.92 ++ +* +++ VdW CG ARG 370 - CG LEU 384 3.20 6 0.19 0.85 + ++ ++ * VdW CG ARG 370 - CD2 LEU 384 3.20 8 0.21 0.79 ++ + + + +*+ VdW HG2 ARG 370 - NH1 ARG 370 2.50 6 0.12 0.54 + ++ ++* VdW HG3 ARG 370 - CB LEU 384 2.60 9 0.19 0.72 +++* ++ + ++ VdW HG3 ARG 370 - CG LEU 384 2.60 8 0.34 1.23 ++++ ++ +* VdW HG3 ARG 370 - CD2 LEU 384 2.60 8 0.30 1.14 ++ + + + +*+ VdW CD ARG 370 - HB2 LEU 384 2.60 7 0.23 1.15 +++ + + * + VdW CD ARG 370 - CD2 LEU 387 3.20 8 0.26 0.76 +++ * +++ + VdW CD ARG 370 - HD23 LEU 387 2.60 6 0.15 0.93 ++ + + + * VdW HD2 ARG 370 - CB LEU 384 2.60 6 0.12 0.54 + * + +++ VdW HD2 ARG 370 - HB2 LEU 384 2.00 8 0.27 0.96 +++ * + +++ VdW HD2 ARG 370 - CG LEU 387 2.60 6 0.14 0.65 ++ + + +* VdW HD2 ARG 370 - CD2 LEU 387 2.60 9 0.31 0.99 *+++ ++ ++ + VdW NE ARG 370 - HB2 LEU 387 2.45 6 0.15 0.75 + * + + ++ VdW C ARG 370 - N TRP 372 2.95 11 0.24 0.42 + +++ +++ +++ * VdW C ARG 370 - H TRP 372 2.45 19 0.48 0.73 ++ +++++++++++++*+++ VdW C ARG 370 - HE3 TRP 372 2.50 18 0.35 0.54 ++++++++ ++++++++ +* VdW O ARG 370 - N TRP 372 2.75 16 0.39 0.63 + +++++ ++++++*+++ VdW O ARG 370 - H TRP 372 1.80 12 0.25 0.55 * + + +++++ ++++ VdW O ARG 370 - HE3 TRP 372 2.30 6 0.10 0.30 ++ + * + + VdW O ARG 370 - CD PRO 375 2.90 6 0.18 0.82 + + ++ * + VdW N TRP 372 - HE3 TRP 372 2.45 10 0.24 0.64 +++* + ++ +++ VdW H TRP 372 - CE3 TRP 372 2.55 7 0.13 0.59 ++ * ++ ++ VdW H TRP 372 - HE3 TRP 372 1.95 11 0.36 0.98 +++* ++ +++++ VdW H TRP 372 - H LEU 373 1.90 12 0.23 0.42 ++ ++* ++++ +++ VdW CD2 TRP 372 - N LEU 373 3.05 7 0.13 0.40 +++ *+ + + VdW CE3 TRP 372 - N LEU 373 3.05 14 0.33 0.64 +++++ * ++ +++ +++ VdW CE3 TRP 372 - H LEU 373 2.55 12 0.31 0.76 +++++ + ++ ++ + * VdW CE3 TRP 372 - HB3 LEU 373 2.60 8 0.20 0.62 + ++ + + +*+ VdW HE3 TRP 372 - H LEU 373 1.95 7 0.19 0.62 + + * + + + + VdW CZ3 TRP 372 - CB LEU 373 3.20 8 0.18 0.57 + + + ++* + + VdW CZ3 TRP 372 - HB3 LEU 373 2.60 13 0.38 0.98 + ++++ +++ + +*++ VdW CZ3 TRP 372 - CD2 LEU 373 3.20 7 0.15 0.75 *+++ + + + VdW CZ2 TRP 372 - HB2 LEU 386 2.60 6 0.14 0.59 +* + + + + VdW CH2 TRP 372 - HB3 LEU 373 2.60 7 0.17 0.50 *+ + ++ + + VdW CH2 TRP 372 - CD2 LEU 387 3.20 6 0.18 0.76 ++ ++ * + VdW HZ2 TRP 372 - CB LEU 386 2.60 6 0.16 0.69 + +* + + + VdW HZ2 TRP 372 - HB2 LEU 386 2.00 7 0.20 0.86 +*+ +++ + VdW HH2 TRP 372 - CD2 LEU 387 2.60 7 0.23 0.95 + ++ ++ * + VdW CG LEU 373 - N ARG 374 3.05 6 0.10 0.50 ++ * + + + VdW HG LEU 373 - CG LEU 384 2.60 6 0.17 0.77 ++ * + + + VdW CD2 LEU 373 - N ARG 374 3.05 7 0.22 0.61 ++* +++ + VdW CD2 LEU 373 - H ARG 374 2.55 7 0.28 1.03 +++ *++ + VdW CD2 LEU 373 - HB3 LEU 384 2.60 6 0.14 0.66 +++ + +* VdW HD23 LEU 373 - H ARG 374 1.95 6 0.15 0.63 +++ *+ + VdW C LEU 373 - CG2 VAL 377 3.10 6 0.11 0.59 +++ *++ VdW O LEU 373 - O ARG 374 2.60 6 0.12 0.63 * + ++ + + VdW O LEU 373 - CG2 VAL 377 2.90 8 0.19 0.67 ++* + ++++ VdW N ARG 374 - HG3 ARG 374 2.45 9 0.16 0.42 + ++ ++ ++ * + VdW N ARG 374 - CD PRO 375 3.05 8 0.19 0.75 + + +* ++++ VdW N ARG 374 - HD2 PRO 375 2.45 8 0.21 0.70 + + +* ++++ VdW H ARG 374 - CD PRO 375 2.55 8 0.20 0.72 + + ++ *+++ VdW H ARG 374 - HD2 PRO 375 1.95 9 0.29 0.74 + ++ * +++++ VdW CA ARG 374 - CE MET 383 3.20 9 0.14 0.31 + +* ++ +++ + VdW HA ARG 374 - CD PRO 375 2.60 9 0.13 0.30 +*++ +++ + + VdW HA ARG 374 - CE MET 383 2.60 10 0.26 0.69 +++* + +++++ VdW CB ARG 374 - CG1 VAL 377 3.20 7 0.12 0.44 *+ +++ + + VdW CB ARG 374 - O LYS 380 2.90 6 0.22 0.89 +*++ + + VdW CB ARG 374 - CD1 LEU 384 3.20 6 0.13 0.65 ++ * + ++ VdW HB2 ARG 374 - CG1 VAL 377 2.60 6 0.12 0.54 * +++ + + VdW HB3 ARG 374 - O LYS 380 2.30 6 0.16 0.78 *++ + + + VdW HB3 ARG 374 - CD2 LEU 384 2.60 6 0.11 0.49 + + *+ ++ VdW CG ARG 374 - CD PRO 375 3.20 6 0.14 0.59 *++ ++ + VdW CG ARG 374 - HD3 PRO 375 2.60 6 0.14 0.74 *++ ++ + VdW CG ARG 374 - O LYS 380 2.90 8 0.21 0.68 *+++ + + ++ VdW C ARG 374 - O SER 379 2.80 6 0.16 0.67 *+ + ++ + VdW O ARG 374 - N ARG 378 2.75 9 0.19 0.51 ++++ + * +++ VdW O ARG 374 - H ARG 378 1.80 9 0.15 0.37 ++++ * + +++ VdW O ARG 374 - O SER 379 2.60 7 0.14 0.71 +++ + *+ + VdW O ARG 374 - CE MET 383 2.90 8 0.17 0.59 +++ + * + ++ VdW O ARG 374 - HE2 MET 383 2.30 6 0.09 0.36 + + * ++ + VdW CA PRO 375 - O SER 379 2.90 7 0.17 0.71 + *+ ++ + + VdW HA PRO 375 - O SER 379 2.30 8 0.29 0.94 ++ *+ ++ + + VdW C PRO 375 - N VAL 377 2.95 10 0.17 0.36 *+++ +++ + + + VdW C PRO 375 - H VAL 377 2.45 13 0.32 0.63 *++++ +++ + ++ ++ VdW O PRO 375 - N VAL 377 2.75 8 0.16 0.44 *+ + +++ + + VdW CG GLU 376 - O GLU 376 2.90 12 0.22 0.44 + ++++ +*+ ++ ++ VdW HG3 GLU 376 - O GLU 376 2.30 13 0.27 0.44 +++* +++++++ + + VdW N VAL 377 - CG1 VAL 377 2.85 6 0.08 0.22 *+ +++ + VdW CG2 VAL 377 - C VAL 377 2.90 7 0.12 0.30 *+ +++ + + VdW CB ARG 378 - N SER 379 2.85 10 0.19 0.21 + +++ * +++ ++ VdW CB ARG 378 - H SER 379 2.55 20 0.37 0.40 +++++++++++*++++++++ VdW HB2 ARG 378 - CE MET 383 2.60 6 0.12 0.46 +++ *+ + VdW HB3 ARG 378 - H SER 379 1.95 17 0.30 0.57 ++ ++++++++ +++*+ ++ VdW HB2 SER 379 - HB2 MET 383 2.00 7 0.13 0.42 +++ *+ + + VdW N LYS 380 - CG LYS 380 2.85 6 0.15 0.21 +* + + + + VdW O LYS 380 - CD2 LEU 384 2.90 6 0.13 0.50 + + * + + + VdW C GLU 381 - N MET 383 2.95 11 0.19 0.37 ++ ++++ ++ * ++ VdW C GLU 381 - H MET 383 2.45 13 0.29 0.56 ++ ++*++ ++ + +++ VdW O GLU 381 - N MET 383 2.75 8 0.18 0.48 + ++++ + * + VdW O GLU 381 - N GLU 385 2.75 10 0.20 0.49 *+++ ++ + +++ VdW O GLU 381 - H GLU 385 1.80 7 0.12 0.39 *+++ + + + VdW O GLU 381 - CB GLU 385 2.90 7 0.13 0.50 ++++ + * + VdW N LEU 384 - CD1 LEU 384 3.05 9 0.26 1.02 ++ + ++ + * ++ VdW N LEU 384 - CD2 LEU 384 3.05 8 0.23 0.69 + + + + ++ + * VdW H LEU 384 - CD1 LEU 384 2.55 6 0.21 1.20 ++ + * + + VdW H LEU 384 - CD2 LEU 384 2.55 9 0.26 0.88 + + + ++ +++ * VdW HA LEU 384 - CD2 LEU 386 2.60 8 0.17 0.48 + ++ ++ * + + VdW CB LEU 384 - CD2 LEU 387 3.20 8 0.18 0.77 *+ + ++ ++ + VdW HB2 LEU 384 - CD2 LEU 387 2.60 9 0.24 1.00 +++* ++ + ++ VdW C LEU 384 - N LEU 386 2.95 12 0.30 0.65 ++++ + ++ +*+++ VdW C LEU 384 - H LEU 386 2.45 12 0.41 0.88 ++++ + ++ +*+++ VdW O LEU 384 - C GLU 385 2.80 11 0.17 0.44 ++++ ++ +*+++ VdW O LEU 384 - N LEU 386 2.75 12 0.48 1.20 ++++ + ++ +*+++ VdW O LEU 384 - H LEU 386 1.80 7 0.15 0.72 ++ ++ +* + VdW O LEU 384 - CD1 LEU 387 2.90 6 0.15 0.83 ++ * + ++ VdW O LEU 384 - HD21 LEU 387 2.30 6 0.12 0.63 + + * + ++ VdW O GLU 385 - CB LEU 389 2.90 6 0.10 0.51 +* +++ + VdW N LEU 386 - CD1 LEU 386 3.05 18 0.44 0.66 + + +++++++++++*++++ VdW N LEU 386 - HD11 LEU 386 2.45 6 0.10 0.40 + + + ++ * VdW H LEU 386 - CD1 LEU 386 2.55 10 0.24 0.68 + + + +*++ + + + VdW H LEU 386 - CD2 LEU 386 2.55 6 0.11 0.40 + +* + ++ VdW C LEU 386 - N VAL 388 2.95 9 0.15 0.40 + ++ ++ +++ * VdW C LEU 386 - H VAL 388 2.45 7 0.18 0.66 + *+ + ++ + VdW O LEU 386 - C LEU 387 2.80 11 0.24 0.48 +*+++ + +++++ VdW O LEU 386 - N VAL 388 2.75 10 0.25 0.77 + ++ + + + ++ +* VdW N LEU 387 - CD1 LEU 387 3.05 8 0.16 0.60 + + ++ +* ++ VdW H LEU 387 - CD1 LEU 387 2.55 8 0.21 0.66 * + ++ ++ ++ VdW CG1 VAL 388 - H LEU 389 2.55 6 0.14 0.57 + *+ + + + VdW CG2 VAL 388 - C VAL 388 2.90 9 0.15 0.29 + + ++ * + +++ VdW CG2 VAL 388 - N LEU 389 3.05 7 0.13 0.42 * ++ + +++ VdW C VAL 388 - N GLU 390 2.95 9 0.16 0.46 ++ + ++ + ++* VdW C VAL 388 - H GLU 390 2.45 9 0.20 0.65 *+ ++ +++++ VdW C VAL 388 - H GLN 391 2.45 6 0.13 0.35 + + + ++ * VdW O VAL 388 - C LEU 389 2.80 14 0.21 0.37 ++ ++ ++++++++ + * VdW O VAL 388 - N GLU 390 2.75 9 0.25 0.80 ++++ ++ + + * VdW O VAL 388 - N GLN 391 2.75 14 0.39 0.75 ++ ++ *+++++++ + + VdW O VAL 388 - H GLN 391 1.80 12 0.27 0.76 ++ ++ *+ ++++ + + VdW CA LEU 389 - CD1 LEU 389 3.00 6 0.08 0.27 * ++ + + + VdW CA LEU 389 - CD2 LEU 389 3.00 6 0.08 0.27 + *+ ++ + VdW HA LEU 389 - CB PRO 412 2.60 6 0.13 0.45 ++ ++ * + VdW HA LEU 389 - HB3 PRO 412 2.00 7 0.14 0.51 + ++ ++ * + VdW HA LEU 389 - CG PRO 412 2.60 6 0.13 0.45 + + *+ + + VdW CG LEU 389 - HD3 PRO 412 2.60 8 0.17 0.57 + ++ *++ + + VdW CD1 LEU 389 - O LEU 389 2.90 6 0.15 0.76 + ++ * + + VdW CD1 LEU 389 - HD3 PRO 412 2.60 9 0.17 0.57 + + ++ + ++*+ VdW CD2 LEU 389 - C LEU 389 3.10 6 0.13 0.60 + ++ ++ * VdW CD2 LEU 389 - HD3 PRO 412 2.60 9 0.20 0.60 + + + +++ * + + VdW CG GLN 391 - C GLN 391 2.90 7 0.14 0.24 + + * + + + + VdW CD GLN 391 - C GLN 391 3.00 7 0.14 0.54 * ++ + ++ + VdW O GLN 391 - C PHE 392 2.80 8 0.19 0.48 ++++ ++ *+ VdW CB PHE 392 - H LEU 393 2.55 8 0.19 0.40 ++ + ++ *++ VdW CG PHE 392 - N LEU 393 3.05 6 0.14 0.59 ++ + + +* VdW CG PHE 392 - H LEU 393 2.55 6 0.15 0.73 ++ + + +* VdW CE1 PHE 392 - CB ALA 416 3.20 7 0.22 0.98 ++ ++ * ++ VdW CZ PHE 392 - N ALA 416 3.05 7 0.12 0.42 + +*+ + ++ VdW CZ PHE 392 - CA ALA 416 3.20 7 0.16 0.53 ++ + +* ++ VdW CZ PHE 392 - CB ALA 416 3.20 12 0.42 1.02 ++ + ++ ++++++ * VdW CZ PHE 392 - HB1 ALA 416 2.60 7 0.22 0.95 + + * + + + + VdW CZ PHE 392 - HB2 ALA 416 2.60 6 0.16 0.75 + ++ ++ * VdW CZ PHE 392 - HB3 ALA 416 2.60 6 0.20 1.02 + + ++ *+ VdW HZ PHE 392 - CA ALA 416 2.60 10 0.21 0.56 ++++*+ + + ++ VdW HZ PHE 392 - HA ALA 416 2.00 7 0.14 0.53 ++ + * ++ + VdW HZ PHE 392 - CB ALA 416 2.60 10 0.21 0.75 ++++ + * +++ + VdW CE2 PHE 392 - CB ALA 416 3.20 6 0.13 0.77 *+ +++ + VdW HD2 PHE 392 - N LEU 393 2.45 6 0.15 0.77 ++ * + ++ VdW C PHE 392 - N GLY 394 2.95 17 0.42 0.71 +++++++++++* +++++ VdW C PHE 392 - H GLY 394 2.45 17 0.53 1.04 ++++*++++++++++ ++ VdW O PHE 392 - C LEU 393 2.80 15 0.30 0.48 +++++ +++++* ++ + + VdW O PHE 392 - N GLY 394 2.75 19 0.89 1.39 +++++++++++* +++++++ VdW O PHE 392 - H GLY 394 1.80 17 0.48 1.12 ++++++++ ++* ++++++ VdW O PHE 392 - CA GLY 394 2.90 9 0.20 0.56 +++++ + + * + VdW O PHE 392 - N ALA 395 2.75 9 0.24 0.71 ++++ + ++ + * VdW O PHE 392 - H ALA 395 1.80 8 0.19 0.63 +*++ + + + + VdW HA LEU 393 - CD2 LEU 393 2.60 8 0.16 0.45 +++ * + ++ + VdW C GLY 394 - N LEU 396 2.95 8 0.16 0.51 +++* ++ + + VdW C GLY 394 - H LEU 396 2.45 8 0.25 0.77 +++* ++ + + VdW O GLY 394 - N LEU 396 2.75 9 0.25 0.88 ++++ +* ++ + VdW HA LEU 396 - CD PRO 397 2.60 12 0.21 0.30 +++++ +*++++ + VdW CD2 LEU 396 - CG1 VAL 419 3.20 6 0.13 0.66 + *+ ++ + VdW O LEU 396 - NE2 GLN 401 2.75 8 0.15 0.57 ++ +++ * ++ VdW HG2 PRO 397 - CG1 ILE 400 2.60 10 0.26 0.74 ++++ +++* ++ VdW HG2 PRO 397 - HG12 ILE 400 2.00 12 0.23 0.59 +++++ * ++ ++++ VdW HG2 PRO 397 - CD1 ILE 400 2.60 7 0.16 0.69 + + + + ++* VdW HD2 PRO 397 - CG1 ILE 400 2.60 8 0.16 0.49 ++++ ++* + VdW HD2 PRO 397 - CD1 ILE 400 2.60 11 0.23 0.72 ++ + *++++++ + VdW O PRO 397 - CB GLN 401 2.90 17 0.40 0.72 +++++++ ++++ ++* +++ VdW O PRO 397 - HB2 GLN 401 2.30 7 0.20 0.61 + ++ + + +* VdW O PRO 397 - HB3 GLN 401 2.30 13 0.24 0.51 +++++++ +++ + * + VdW CD1 ILE 400 - CG2 VAL 419 3.20 6 0.10 0.43 ++++ *+ VdW O GLN 407 - C ARG 408 2.80 17 0.34 0.48 + ++++++++ +++++*+ + VdW HG2 PRO 412 - H GLU 413 1.95 9 0.14 0.29 + + *+++ ++ + VdW H GLU 414 - CG GLU 414 2.55 6 0.11 0.38 * + ++ + + VdW O GLU 414 - CG LEU 418 2.90 6 0.14 0.55 + + + +* + VdW O GLU 414 - HG LEU 418 2.30 9 0.21 0.68 + ++ + *+ + ++ VdW O GLU 414 - CD2 LEU 418 2.90 8 0.18 0.51 + * ++ ++ + + VdW O ALA 416 - CG1 VAL 419 2.90 8 0.22 1.16 * ++ +++ ++ VdW O ALA 416 - HG12 VAL 419 2.30 6 0.14 0.91 +* + + ++ VdW H LEU 418 - CG LEU 418 2.55 12 0.22 0.35 + +++ + + ++++ +* VdW H LEU 418 - HG LEU 418 1.95 6 0.14 0.33 + + ++ *+ VdW N VAL 419 - CG1 VAL 419 2.85 8 0.15 0.24 + + +++ *+ + VdW H VAL 419 - CG1 VAL 419 2.55 11 0.20 0.43 +++ +++ ++ ++* VdW CG2 VAL 419 - C VAL 419 2.90 14 0.21 0.33 +++ +++ ++*++ +++ VdW CG2 VAL 419 - N ASP 420 3.05 8 0.16 0.48 + *+ ++ + + + VdW CD1 LEU 422 - C LEU 422 3.10 8 0.15 0.33 + + + + +++ * Angle PSI ALA 43 -49.00 -29.00 11 4.59 14.75 + ++++* +++ + + Angle PHI ARG 44 -71.00 -51.00 12 8.02 17.08 *+ + ++++ +++ ++ Angle PSI ARG 44 -54.00 -34.00 12 10.11 32.23 ++++++* ++ + + + Angle PHI LEU 45 -72.00 -52.00 16 10.70 23.90 +++ +++++* ++ +++ ++ Angle PSI LEU 45 -52.00 -32.00 15 8.13 23.71 + +++ ++ +++++++* + Angle PHI PHE 47 -74.00 -54.00 19 14.88 33.87 +++++++++++*+++++ ++ Angle PSI PHE 47 -49.00 -29.00 18 24.98 48.64 +++ ++*+++ +++++++++ Angle PHI ARG 48 -91.00 -61.00 8 5.23 17.25 +++ + ++* + Angle PSI ARG 48 -34.00 -4.00 7 5.15 23.01 ++ * ++ + + Angle PSI CYS 49 -51.00 -5.00 20 30.38 76.36 ++++++*+++++++++++++ Angle PHI PHE 50 -112.00 -54.00 8 4.72 21.44 + ++ * ++++ Angle PSI PHE 50 120.00 140.00 14 17.14 39.72 + +*++ +++++++++ Angle PHI HIS 51 -128.00 -90.00 8 11.24 32.39 *+++ +++ + Angle PSI HIS 51 99.00 143.00 10 14.93 52.72 *+++ +++ + ++ Angle PHI TYR 52 -106.00 -68.00 13 23.62 82.60 +++++ ++ ++++*+ Angle PSI TYR 52 120.00 140.00 16 28.86 117.99 + +*+++++ ++ ++++++ Angle PHI GLU 54 -70.00 -50.00 16 52.33 111.56 +++++++++++*++++ Angle PSI GLU 54 -38.00 -16.00 15 14.93 55.35 +++ + +++++ +*++++ Angle PHI ALA 55 -80.00 -58.00 17 28.58 69.05 +++ +++++++* ++++++ Angle PSI ALA 55 -50.00 -30.00 13 14.29 56.54 +++++++ *++ ++ + Angle PHI THR 56 -112.00 -82.00 10 7.84 23.20 +++* ++ + + ++ Angle PSI THR 56 -15.00 15.00 18 40.69 74.08 ++++* ++ +++++++++++ Angle PSI PRO 58 -41.00 -31.00 20 58.09 120.00 ++++++++*+++++++++++ Angle PHI GLN 59 -77.00 -57.00 18 38.10 80.66 +++++++ ++++++ ++++* Angle PSI GLN 59 -46.00 -26.00 15 32.60 77.50 + ++ ++++++++*+ + + Angle PHI GLU 60 -75.00 -55.00 19 24.25 45.11 ++++ ++++++++*++++++ Angle PSI GLU 60 -54.00 -34.00 12 17.19 52.36 ++++ + *+++ ++ + Angle PHI ALA 61 -72.00 -52.00 13 16.17 69.62 +++ + *+ +++++++ Angle PSI ALA 61 -53.00 -33.00 8 6.41 33.56 +++ +++ * + Angle PHI LEU 62 -71.00 -51.00 12 11.19 37.61 +++ + +* + + ++++ Angle PSI LEU 62 -53.00 -33.00 19 40.74 60.31 ++ ++++++++++++*++++ Angle PHI ALA 63 -76.00 -56.00 18 18.92 35.71 ++ +++++++++++++*++ Angle PSI ALA 63 -48.00 -28.00 20 34.62 100.33 +++++++++++++++++++* Angle PHI GLN 64 -78.00 -58.00 15 25.01 91.88 + +++ ++++++++++ * Angle PSI GLN 64 -51.00 -31.00 12 25.61 71.05 + +++* + ++++++ Angle PHI LEU 65 -71.00 -51.00 15 22.67 58.74 ++ ++*+ +++ +++ +++ Angle PSI LEU 65 -52.00 -32.00 16 15.91 64.49 +++ ++ +++ +*+ +++++ Angle PHI ARG 66 -76.00 -56.00 15 18.64 46.44 + ++++ ++++ *+++++ Angle PSI ARG 66 -50.00 -30.00 10 7.72 53.53 + + ++ + + *++ + Angle PHI GLU 67 -79.00 -59.00 16 13.55 43.65 ++ ++++++++ *+++++ Angle PSI GLU 67 -50.00 -30.00 20 16.39 30.85 *+++++++++++++++++++ Angle PHI LEU 68 -74.00 -54.00 9 9.89 33.89 +++* +++ ++ Angle PSI LEU 68 -52.00 -32.00 18 16.73 36.18 + ++++++ +++++*+++++ Angle PHI CYS 69 -76.00 -56.00 13 12.46 51.81 ++++++ + + ++ ++* Angle PSI CYS 69 -50.00 -30.00 20 34.78 48.80 ++++++++++++++++*+++ Angle PHI ARG 70 -73.00 -53.00 20 48.22 66.07 ++++++++++++++++*+++ Angle PSI GLN 71 -47.00 -17.00 20 57.37 76.19 ++++++++++++++*+++++ Angle PHI GLU 76 -78.00 -58.00 7 3.20 11.59 *+ ++++ + Angle PSI GLU 76 -40.00 -6.00 11 7.18 21.56 * + +++ ++ +++ + Angle PSI VAL 77 -29.00 -5.00 8 3.48 12.02 + + + * +++ + Angle PHI SER 79 -113.00 -71.00 9 4.50 22.53 *++ +++++ + Angle PSI SER 79 155.00 175.00 16 13.21 44.39 + +++++++ +++*++++ Angle PHI LYS 80 -69.00 -49.00 20 43.14 62.99 +++*++++++++++++++++ Angle PSI LYS 80 -48.00 -28.00 18 20.62 38.61 ++++++++++++ ++++ +* Angle PHI GLU 81 -73.00 -53.00 17 25.79 51.08 +*++ ++ ++++++ +++++ Angle PSI GLU 81 -50.00 -30.00 18 16.09 47.07 +++++++++++ +*+++++ Angle PHI GLN 82 -76.00 -56.00 15 26.74 49.77 + ++++++ + ++*+ +++ Angle PSI GLN 82 -48.00 -28.00 18 19.53 35.04 +++*++ ++++++++++ ++ Angle PHI MET 83 -75.00 -55.00 17 17.97 40.21 ++ ++++++++* ++ ++++ Angle PSI MET 83 -52.00 -32.00 14 10.61 24.65 +++++ *+++ ++ + ++ Angle PHI LEU 84 -73.00 -53.00 11 10.40 32.36 ++* + +++ + ++ + Angle PSI LEU 84 -52.00 -32.00 17 16.34 33.75 ++ +++*+ ++++++++++ Angle PHI GLU 85 -75.00 -55.00 16 12.75 29.03 + +++++++ ++ *+++++ Angle PSI GLU 85 -54.00 -34.00 15 17.92 57.78 ++++++ ++++ +*+++ Angle PHI LEU 86 -74.00 -54.00 13 11.46 79.94 + ++++ +++ +*+++ Angle PSI LEU 86 -51.00 -31.00 15 13.73 43.58 ++++++ + + ++ *++++ Angle PHI LEU 87 -77.00 -57.00 13 10.46 22.42 + +++ + *+++ +++ + Angle PSI LEU 87 -51.00 -31.00 15 23.63 62.34 + +++++++ ++ + ++*+ Angle PHI VAL 88 -78.00 -58.00 15 39.75 79.48 +++*++ ++++ + ++++ Angle PHI LEU 89 -70.00 -50.00 19 23.11 60.98 ++++*+ +++++++++++++ Angle PSI LEU 89 -57.00 -37.00 6 3.35 11.58 ++ + + * + Angle PHI GLU 90 -73.00 -53.00 8 5.33 15.85 + +* + + + ++ Angle PSI GLU 90 -52.00 -32.00 15 23.25 51.66 +++++ + +++++*+ ++ Angle PHI GLN 91 -74.00 -54.00 17 26.77 51.60 +*+++++ ++++++++ ++ Angle PSI GLN 91 -46.00 -26.00 9 9.59 26.88 + ++ +*++ ++ Angle PHI PHE 92 -74.00 -54.00 20 37.62 78.32 ++++++++++++*+++++++ Angle PSI PHE 92 -55.00 -35.00 14 13.42 30.55 +*++++ ++ ++++ + + Angle PHI LEU 93 -72.00 -52.00 9 19.56 69.83 +*++ +++ + + Angle PSI LEU 93 -49.00 -29.00 13 17.77 49.30 ++++ +++++*+++ Angle PHI GLY 94 -80.00 -56.00 18 16.42 33.40 +++++++ ++ +++++*+++ Angle PSI GLY 94 -46.00 -8.00 11 11.17 28.94 + ++ +++* + +++ Angle PSI PRO 97 132.20 154.90 20 15.79 21.54 +++*++++++++++++++++ Angle PSI PRO 98 -46.00 -28.00 12 13.52 34.88 ++++++* ++ + + + Angle PHI GLU 99 -76.00 -56.00 11 7.46 25.41 ++++ * + ++++ + Angle PSI GLU 99 -47.00 -27.00 9 4.62 13.61 + + ++*+ + + + Angle PHI ILE 100 -73.00 -53.00 20 26.31 43.80 ++++*+++++++++++++++ Angle PSI ILE 100 -52.00 -32.00 9 8.52 35.61 ++ + + ++ + +* Angle PHI GLN 101 -71.00 -51.00 12 12.52 36.81 ++++ + ++ ++++* Angle PSI GLN 101 -51.00 -31.00 10 5.42 15.54 + + *+++++++ Angle PHI ALA 102 -72.00 -52.00 17 8.82 15.38 ++++ +++++++++*++ + Angle PHI ARG 103 -73.00 -53.00 10 4.51 12.05 ++++ + + + + +* Angle PHI VAL 104 -77.00 -57.00 6 2.82 6.98 + * ++ + + Angle PHI GLY 106 -79.00 -59.00 8 4.81 14.31 +++*++ ++ Angle PSI GLY 106 -40.00 -6.00 7 4.03 16.42 ++ + +++ * Angle PSI PRO 112 -44.00 -28.00 16 14.97 44.04 + +*++++ ++ ++++++ + Angle PHI GLU 113 -75.00 -55.00 16 10.28 33.64 + +*+++ +++ +++++ ++ Angle PSI GLU 113 -51.00 -31.00 8 6.95 34.56 *+ ++ + +++ Angle PHI GLU 114 -74.00 -54.00 14 14.08 36.21 +++++++ +++ ++* + Angle PSI GLU 114 -54.00 -34.00 8 5.67 15.53 + +* + + ++ + Angle PSI ALA 115 -49.00 -29.00 8 5.51 24.91 + + + + ++ *+ Angle PHI ALA 116 -73.00 -53.00 10 13.05 66.80 + ++ + + ++++ * Angle PSI ALA 116 -50.00 -30.00 12 10.45 32.72 +++++ + + *++++ Angle PHI ALA 117 -74.00 -54.00 13 17.49 52.03 ++++ + + ++ +++* + Angle PSI ALA 117 -50.00 -30.00 12 10.76 69.03 ++*++ +++ + + ++ Angle PHI LEU 118 -79.00 -59.00 11 10.75 60.17 *+ ++++ ++ + + + Angle PSI LEU 118 -48.00 -28.00 6 5.57 37.67 ++++ +* Angle PHI VAL 119 -74.00 -54.00 13 8.25 41.42 ++++ ++++++++* Angle PSI VAL 119 -53.00 -33.00 7 4.34 13.29 +* + ++++ Angle PHI ASP 120 -69.00 -49.00 11 8.52 23.76 + ++ + +++*+++ Angle PHI GLY 121 -84.00 -58.00 6 4.20 15.20 * + ++++ Angle PHI LEU 122 -91.00 -55.00 11 8.16 24.50 + +* ++++++ + + Angle PSI ALA 343 -49.00 -29.00 13 6.60 20.36 + ++*+++ ++++ + + Angle PHI ARG 344 -71.00 -51.00 8 6.78 20.99 +++* + + + + Angle PSI ARG 344 -54.00 -34.00 9 4.45 22.11 + + + ++ +*+ + Angle PHI LEU 345 -72.00 -52.00 10 5.61 19.85 + + + ++ ++ * + + Angle PSI LEU 345 -52.00 -32.00 9 6.21 24.85 +++ ++* + + + Angle PHI ARG 346 -76.00 -56.00 8 6.68 24.68 + +++ + + + * Angle PSI ARG 346 -48.00 -28.00 10 6.14 18.96 + + + ++ ++++* Angle PHI PHE 347 -74.00 -54.00 12 8.16 24.09 ++++++ ++ + * + + Angle PSI PHE 347 -49.00 -29.00 15 14.79 35.62 ++++ +++* + ++++ ++ Angle PHI ARG 348 -91.00 -61.00 7 5.32 19.00 + + * ++ ++ Angle PSI ARG 348 -34.00 -4.00 9 11.42 46.72 *++ ++ ++ + + Angle PHI CYS 349 -106.00 -66.00 7 4.58 17.30 + +++ + * + Angle PSI CYS 349 -51.00 -5.00 20 29.38 66.45 ++++*+++++++++++++++ Angle PSI PHE 350 120.00 140.00 14 13.49 34.50 +++++++++ *++++ Angle PHI HIS 351 -128.00 -90.00 19 36.63 51.76 ++++++*++++++++++++ Angle PSI HIS 351 99.00 143.00 14 20.48 55.94 ++++ +++++++ ++ * Angle PHI TYR 352 -106.00 -68.00 9 5.88 23.30 + + ++ ++ + + * Angle PSI TYR 352 120.00 140.00 19 28.27 68.54 +++++ +++++++*++++++ Angle PHI GLU 354 -70.00 -50.00 10 12.44 62.69 + ++*++++ ++ Angle PSI GLU 354 -38.00 -16.00 8 18.99 84.04 + + + + + + + * Angle PHI ALA 355 -80.00 -58.00 15 22.38 78.31 ++++ + ++ +++*+ ++ + Angle PSI ALA 355 -50.00 -30.00 9 8.30 29.13 +++ +* + ++ + Angle PHI THR 356 -112.00 -82.00 11 9.15 29.55 +++ + + +*++++ Angle PSI THR 356 -15.00 15.00 16 21.44 102.20 +++++ ++*+++ + ++++ Angle PSI PRO 358 -41.00 -31.00 18 22.88 83.68 + + *+++++++++++++++ Angle PHI GLN 359 -77.00 -57.00 18 24.20 59.41 +++ +++++*++++ +++++ Angle PSI GLN 359 -46.00 -26.00 8 9.96 42.11 ++++ + * + + Angle PHI GLU 360 -75.00 -55.00 19 15.94 34.60 +*++++++++++++++++ + Angle PSI GLU 360 -54.00 -34.00 17 17.73 34.61 ++*++ +++++++++ +++ Angle PHI ALA 361 -72.00 -52.00 9 7.82 25.10 + ++ *++ +++ Angle PSI ALA 361 -53.00 -33.00 19 24.00 40.23 +++++*+++++++++++++ Angle PHI LEU 362 -71.00 -51.00 11 10.07 39.79 ++ ++ +++ * + ++ Angle PSI LEU 362 -53.00 -33.00 16 18.76 51.46 +++*++ ++++ ++ +++ + Angle PHI ALA 363 -76.00 -56.00 11 6.94 20.30 + * ++ ++ + + ++ + Angle PSI ALA 363 -48.00 -28.00 8 12.89 62.36 ++ ++* ++ + Angle PHI GLN 364 -78.00 -58.00 20 33.85 76.94 ++++++++++*+++++++++ Angle PSI GLN 364 -51.00 -31.00 9 12.72 54.39 + + + *+ + + + + Angle PHI LEU 365 -71.00 -51.00 14 13.55 40.01 ++++ +++++ * ++ ++ Angle PSI LEU 365 -52.00 -32.00 13 10.59 43.66 + +*++++ ++ + + ++ Angle PHI ARG 366 -76.00 -56.00 14 18.70 56.44 + +++ ++ +++ ++++* Angle PSI ARG 366 -50.00 -30.00 14 15.94 35.50 + + +*++++ ++++++ Angle PHI GLU 367 -79.00 -59.00 13 12.70 57.22 +++ ++ +*++++++ Angle PSI GLU 367 -50.00 -30.00 10 12.78 50.10 ++++ + +++ + * Angle PHI LEU 368 -74.00 -54.00 20 20.53 37.57 +*++++++++++++++++++ Angle PHI CYS 369 -76.00 -56.00 18 18.37 41.09 ++++++ +++++++ ++++* Angle PSI CYS 369 -50.00 -30.00 20 27.13 41.60 +*++++++++++++++++++ Angle PHI ARG 370 -73.00 -53.00 19 35.41 59.83 ++++++++++++++++++ * Angle PSI GLN 371 -47.00 -17.00 20 48.97 73.01 ++*+++++++++++++++++ Angle PHI GLU 376 -78.00 -58.00 8 4.02 13.70 + ++ + + + * + Angle PSI GLU 376 -40.00 -6.00 8 6.29 34.89 ++ + ++ + *+ Angle PHI VAL 377 -118.00 -86.00 8 4.84 18.48 +++ + + *+ + Angle PSI VAL 377 -29.00 -5.00 9 7.31 24.61 + *++ ++ ++ + Angle PHI SER 379 -113.00 -71.00 15 9.90 25.28 ++ *+++ + ++++++++ Angle PSI SER 379 155.00 175.00 13 12.09 36.78 +++ ++ ++* ++ +++ Angle PHI LYS 380 -69.00 -49.00 20 37.87 67.76 +++++++++++++++++++* Angle PSI LYS 380 -48.00 -28.00 19 27.20 75.64 ++++++++++++++++++* Angle PHI GLU 381 -73.00 -53.00 17 32.91 63.91 ++ +++++++++++++* + Angle PSI GLU 381 -50.00 -30.00 11 9.40 38.61 + + + +++ *++ + + Angle PHI GLN 382 -76.00 -56.00 12 13.00 58.02 + ++++ *+++++ + Angle PSI GLN 382 -48.00 -28.00 19 21.44 42.14 +++++++++++++++ +++* Angle PHI MET 383 -75.00 -55.00 20 22.18 31.53 +++++++++*++++++++++ Angle PSI MET 383 -52.00 -32.00 12 9.44 32.65 + + +++ + ++ +*++ Angle PHI LEU 384 -73.00 -53.00 14 17.77 48.49 ++++++ + ++++++* Angle PSI LEU 384 -52.00 -32.00 16 22.04 39.87 ++ ++++++ ++++ +++* Angle PHI GLU 385 -75.00 -55.00 14 16.50 40.80 + ++++ + ++ +*++++ Angle PSI GLU 385 -54.00 -34.00 17 19.77 44.76 + ++++++++ ++ +++++* Angle PHI LEU 386 -74.00 -54.00 8 6.02 20.08 + ++ + + + + * Angle PSI LEU 386 -51.00 -31.00 12 9.83 36.84 ++++ + ++ + + + +* Angle PHI LEU 387 -77.00 -57.00 19 24.31 55.45 +++++*+++ ++++++++++ Angle PSI LEU 387 -51.00 -31.00 13 18.12 45.02 + ++*+++ + ++ +++ Angle PHI VAL 388 -78.00 -58.00 15 33.67 76.94 ++++ + ++*+ ++ ++++ Angle PSI VAL 388 -55.00 -35.00 17 18.05 48.43 ++++++++ + ++ +++++* Angle PHI LEU 389 -70.00 -50.00 14 13.51 26.65 ++ ++ ++++++++ + * Angle PSI LEU 389 -57.00 -37.00 15 19.15 74.98 + ++ ++ + ++++*++++ Angle PHI GLU 390 -73.00 -53.00 13 22.38 57.97 + ++++ +* ++++++ Angle PSI GLU 390 -52.00 -32.00 17 26.84 63.95 +++++ ++ ++++*++++ + Angle PHI GLN 391 -74.00 -54.00 17 31.29 62.41 +++++++ +++ ++++++ * Angle PSI GLN 391 -46.00 -26.00 10 19.79 73.41 + ++* ++ ++++ Angle PHI PHE 392 -74.00 -54.00 17 22.47 66.41 +++++++*++++++ +++ Angle PSI PHE 392 -55.00 -35.00 19 38.16 103.42 +++++++++++++++++ *+ Angle PHI LEU 393 -72.00 -52.00 17 45.05 101.78 +++++ ++++++ ++++ *+ Angle PSI LEU 393 -49.00 -29.00 13 31.36 90.46 +++++ +++ +*+++ Angle PHI GLY 394 -80.00 -56.00 18 25.09 79.47 ++++++++ +++++++*++ Angle PSI GLY 394 -46.00 -8.00 10 10.57 34.27 + + * + ++++++ Angle PSI PRO 397 132.20 154.90 17 13.50 25.36 ++++++++++*++++ ++ Angle PSI PRO 398 -46.00 -28.00 16 20.65 37.95 ++++++ ++++ + +*+++ Angle PHI GLU 399 -76.00 -56.00 19 15.63 39.89 + ++++++++++++++++*+ Angle PSI GLU 399 -47.00 -27.00 9 6.01 22.14 ++ + + + + * + + Angle PHI ILE 400 -73.00 -53.00 20 23.68 41.77 ++++++++++++*+++++++ Angle PSI GLN 401 -51.00 -31.00 9 6.52 22.94 ++++ * ++++ Angle PHI ALA 402 -72.00 -52.00 16 10.93 29.86 ++++++++ +++ +++ +* Angle PSI ALA 402 -51.00 -31.00 8 5.69 34.72 ++ * + + +++ Angle PHI ARG 403 -73.00 -53.00 11 7.88 25.89 ++++ * ++++ + + Angle PHI VAL 404 -77.00 -57.00 8 5.21 14.68 + + + +* +++ Angle PHI GLY 406 -79.00 -59.00 7 4.75 20.04 +++ ++ + * Angle PSI GLY 406 -40.00 -6.00 15 9.91 22.56 +++*++ +++++++++ Angle PHI GLY 410 58.00 92.00 6 5.68 31.54 * + ++++ Angle PSI GLY 410 -10.00 46.00 15 8.79 20.80 ++ +++*+++++ ++ ++ Angle PSI PRO 412 -44.00 -28.00 17 15.01 38.98 ++ + ++*+++++++++++ Angle PHI GLU 413 -75.00 -55.00 9 8.00 36.76 ++ ++ +* + ++ Angle PSI GLU 413 -51.00 -31.00 14 10.25 28.86 ++*+ + ++++ +++++ Angle PHI GLU 414 -74.00 -54.00 12 10.91 28.49 ++++ + *+ + ++ ++ Angle PSI GLU 414 -54.00 -34.00 9 4.46 14.85 ++ +* + + ++ + Angle PHI ALA 415 -76.00 -56.00 9 4.51 12.61 + +* + + + +++ Angle PSI ALA 415 -49.00 -29.00 9 7.67 24.41 ++++ ++ + + * Angle PHI ALA 416 -73.00 -53.00 9 7.92 33.31 +++ + +* ++ + Angle PSI ALA 416 -50.00 -30.00 8 6.33 29.55 +++ + +* + + Angle PHI ALA 417 -74.00 -54.00 12 6.90 27.61 ++ *+ ++++++++ Angle PSI ALA 417 -50.00 -30.00 10 4.95 15.88 + * +++ ++ + + + Angle PHI LEU 418 -79.00 -59.00 11 6.07 15.23 + +* ++++ ++ ++ Angle PSI LEU 418 -48.00 -28.00 8 5.39 15.71 + + +++ + *+ Angle PHI VAL 419 -74.00 -54.00 8 4.84 18.99 + ++ +*+ ++ Angle PHI ASP 420 -69.00 -49.00 7 5.65 28.37 + + ++ + *+ Angle PHI LEU 422 -91.00 -55.00 8 3.77 10.13 + + ++ + + *+ 1011 violated distance constraints. 225 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 1.38 +/- 0.28 A (0.83..1.90 A) Average heavy atom RMSD to mean : 1.81 +/- 0.23 A (1.45..2.29 A)