NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3136 8.2649 123.5851 51.1509 19.7593 176.3132 2 P 4.1122 0.0000 0.0000 63.3552 31.5950 171.0168 3 V 4.4649 8.2975 117.8386 59.7619 34.6737 174.7536 4 R 4.6135 8.4931 122.3787 55.5682 31.6739 175.5505 5 S 5.6370 8.6993 118.0855 57.0588 67.4691 173.0651 6 L 4.8879 8.7830 120.3539 54.6615 44.1826 174.6767 7 N 5.4366 8.8766 118.6188 53.0353 40.6724 173.7265 8 C 5.1788 8.9220 116.4092 57.8063 33.7388 172.4477 9 T 5.1167 8.8297 109.1409 59.9259 71.8511 172.8142 10 L 5.4076 8.5757 120.9214 53.2380 45.6077 176.2652 11 R 5.0494 8.7909 119.7495 54.5305 34.6990 175.0366 12 D 4.7234 8.7899 123.5103 52.3060 40.9831 177.3225 13 S 4.0873 8.2525 113.1259 60.5013 62.8309 174.9936 14 Q 4.3702 8.0403 118.8708 55.4759 28.6012 175.3373 15 Q 3.6583 8.1275 115.5514 56.8021 26.8741 173.4417 16 K 4.3754 8.3218 117.6642 55.9946 33.7284 176.8250 17 S 4.9646 8.9477 120.2502 57.5443 65.5587 172.8033 18 L 5.2708 8.3178 120.6047 53.4465 44.1815 176.2068 19 V 4.7616 8.7496 115.3441 59.7027 36.6379 174.4154 20 M 4.1945 8.4501 122.3785 56.4564 32.1447 174.7852 21 S 4.0418 9.5428 120.5271 59.1570 62.4895 177.2395 22 G 4.1359 8.1125 115.5656 44.2170 0.0000 171.5089 23 P 4.2238 0.0000 0.0000 64.6680 31.7763 176.0853 24 Y 4.9357 7.5397 116.4294 56.9888 39.2419 174.4325 25 E 4.8752 8.0479 118.4116 54.9220 33.6459 173.3378 26 L 5.2918 8.6518 124.2538 53.0006 45.3770 175.4612 27 K 5.2257 9.3826 120.4056 54.6116 36.7890 174.8731 28 A 5.4279 8.6055 123.7990 50.2894 21.8066 175.3942 29 L 4.7142 8.6626 120.6402 54.7909 44.4742 174.3597 30 H 4.5900 10.9573 118.6777 55.8728 28.8581 174.9227 31 L 4.8448 8.3723 124.5524 53.4698 45.1745 174.8845 32 Q 4.5552 8.5835 122.4072 56.0199 32.8287 176.0587 33 G 3.7617 8.5236 110.2161 46.0237 0.0000 175.9427 34 Q 3.9718 8.9226 117.9836 59.5114 28.3826 179.0773 35 D 4.5018 8.1093 117.3741 55.7901 41.2922 177.8183 36 M 3.9670 8.1695 119.9896 58.6792 32.1957 177.8683 37 E 4.0748 7.7922 116.2048 58.5643 29.6547 178.0389 38 Q 4.1342 8.0429 117.8738 57.6425 29.1303 176.7505 39 Q 4.2751 7.7204 116.3177 55.9014 29.1016 176.2939 40 V 3.5978 8.2396 121.2422 62.8332 32.4563 175.2089 41 V 4.3246 7.9566 126.6524 61.2453 33.6517 174.5116 42 F 4.9954 9.2702 126.8343 56.3000 41.7700 175.0679 43 S 4.9348 9.1592 116.6399 56.9473 64.2843 172.3612 44 M 4.7050 9.0180 129.0804 54.6676 33.3631 174.8163 45 S 5.2561 8.8683 122.6442 56.9608 65.9091 173.6812 46 F 4.6601 9.0397 123.5718 56.7281 38.9156 175.8911 47 V 4.4299 7.7540 116.9706 59.6705 33.8931 175.8937 48 Q 4.2700 8.8320 120.8841 55.1839 29.2717 176.8407 49 G 4.0835 8.4338 111.4026 44.5280 0.0000 171.5613 50 E 3.9604 8.3116 120.7463 56.2947 29.8672 175.4988 51 E 4.9197 8.5839 125.8091 54.5237 32.8733 174.0426 52 S 4.7433 8.8546 117.8869 56.3624 65.9694 174.4672 53 N 4.5912 8.7728 119.3270 54.8307 37.4852 175.1408 54 D 4.9291 8.0988 116.1466 52.5005 41.6282 174.9826 55 K 4.7209 8.0153 119.8636 55.1230 35.2167 174.6181 56 I 4.9642 8.7084 129.4701 58.6319 40.3709 173.4332 57 P 5.0364 0.0000 0.0000 62.9287 32.6230 175.7935 58 V 4.8858 9.4752 116.1861 59.6420 36.7827 173.8543 59 A 5.4393 8.9952 123.3084 50.3069 22.2643 175.6197 60 L 4.7541 8.9777 120.4580 53.1296 44.5201 175.8764 61 G 3.8099 8.6804 110.8563 43.7520 0.0000 170.9037 62 L 4.5132 7.9907 120.1417 52.9265 43.2255 176.9834 63 K 3.8910 8.4934 125.1010 58.1091 32.4081 176.0669 64 E 3.8750 8.9974 123.5181 56.9380 27.1123 174.0645 65 K 4.5629 7.7682 117.0299 54.6567 36.4779 177.0506 66 N 4.8597 8.4755 122.0840 52.1098 35.9267 174.3890 67 L 5.3727 7.2261 119.1930 53.9542 46.4900 176.8466 68 Y 5.1779 9.1439 120.8162 55.8520 42.1582 174.8781 69 L 4.8654 9.1055 123.5634 55.0744 42.3915 176.5113 70 S 5.0688 9.9828 117.8579 56.7903 66.6624 171.9951 71 C 5.4189 8.4763 121.3195 58.1653 30.1040 174.0253 72 V 4.6564 8.6835 115.8845 59.4966 36.3115 174.4236 73 L 4.4363 8.4324 122.7125 54.2441 42.5815 176.8006 74 K 4.2483 8.5306 124.3525 55.7916 34.5392 175.6723 75 D 4.2043 9.2155 127.3719 55.8969 37.8541 173.6830 76 D 4.4256 8.4252 113.1591 54.8489 38.6833 173.7145 77 K 4.3303 7.3863 119.3139 53.7384 35.8782 173.6674 78 P 3.6637 0.0000 0.0000 63.0984 31.6890 175.8080 79 T 4.7397 8.6749 119.9282 61.6630 72.9940 172.8724 80 L 5.1145 8.7380 127.1814 54.9009 43.4062 175.5629 81 Q 4.7769 9.1942 121.9899 55.1617 32.5371 172.9418 82 L 5.1119 8.6106 120.7040 53.6423 43.1088 175.5128 83 E 4.8142 9.5367 125.4289 54.4398 32.5420 174.9993 84 S 5.1287 8.7571 122.1253 58.3722 64.0836 173.6686 85 V 4.4874 8.1098 115.2728 58.9894 36.2168 174.9559 86 D 4.4081 8.6795 121.5543 53.8350 41.0769 175.2783 87 P 4.4577 0.0000 0.0000 64.9319 31.3580 177.0015 88 K 4.2281 8.6247 119.6097 57.5835 32.4613 176.5989 89 N 4.7333 8.0914 113.7010 53.1773 39.1260 174.1580 90 Y 4.5729 7.6114 115.2795 55.1504 41.5083 173.3447 91 P 4.7493 0.0000 0.0000 62.1671 32.8220 175.1669 92 K 4.5986 7.8147 115.8902 54.9463 35.4482 176.2554 93 K 3.9499 8.8220 120.0881 59.0019 32.0700 176.3363 94 K 4.5418 7.6111 120.6437 54.8726 31.2421 174.7908 95 M 4.4250 8.0190 123.5997 53.6865 33.4589 176.5409 96 E 4.1534 8.8620 120.9791 56.3029 30.6156 178.1332 97 K 3.7976 8.7271 122.9741 59.5220 32.5542 179.1380 98 R 3.6665 7.6862 114.4963 58.3102 29.3638 177.6569 99 F 4.8401 7.6682 115.6723 57.8511 39.7628 175.5542 100 V 4.3642 7.3984 122.5168 61.5947 33.0021 174.6882 101 W 5.3054 9.2378 127.2486 54.9593 33.0930 174.3486 102 N 5.0643 9.7182 122.5736 52.1101 39.3918 174.4223 103 K 4.3934 9.3900 127.7113 55.8313 33.4575 175.4207 104 I 5.2690 8.4438 129.2885 58.9019 39.6983 174.5564 105 E 4.9488 8.8089 126.8724 54.1658 30.3167 175.3429 106 I 4.4115 7.8615 119.5127 61.3683 37.2299 176.1052 107 N 3.3818 7.8464 110.0641 55.9347 39.7762 174.1752 108 N 4.9123 7.4665 113.2165 52.9125 40.6170 174.6014 109 K 4.7138 7.7586 119.2051 55.2757 35.4615 174.6302 110 L 5.2704 9.0579 120.0022 53.2170 45.4080 176.0966 111 E 5.1799 8.7749 120.6112 54.6000 34.0987 175.1360 112 F 5.1868 8.9542 120.6856 55.9586 41.8286 173.4539 113 E 4.9448 9.1980 125.9587 54.3816 31.4000 175.2585 114 S 3.9343 8.9873 122.3386 58.4609 62.3595 174.0675 115 A 3.9960 8.2167 129.4614 55.1128 18.2436 178.8395 116 Q 3.5040 7.7842 115.5676 58.2203 29.2521 175.8044 117 F 4.7060 7.9300 119.5281 54.2391 39.2125 172.2691 118 P 4.3288 0.0000 0.0000 64.3326 31.6113 176.2406 119 N 4.1509 9.6247 118.5578 53.8148 36.6353 173.6471 120 W 4.6862 7.7047 118.4941 55.1030 31.9204 174.5769 121 Y 5.5805 9.4738 121.8937 55.8638 41.6480 175.1101 122 I 4.2985 8.6178 123.2653 61.8893 37.6565 175.8512 123 S 5.0822 9.4145 122.4210 56.9813 67.6647 172.8667 124 T 5.0564 8.5137 110.7144 60.0802 72.2656 173.0731 125 S 4.9862 8.7351 116.7847 57.3564 63.5186 174.1487 126 Q 4.0720 8.7765 122.2990 58.6464 28.7994 177.3742 127 A 4.1931 7.5520 119.1479 51.8013 17.6830 176.5739 128 E 4.1826 8.5580 120.3130 56.7660 30.5077 175.9142 129 N 4.2533 8.1381 120.4210 55.0207 38.3237 173.6978 130 M 4.7570 7.1385 112.4365 52.5192 34.9852 174.4938 131 P 4.9913 0.0000 0.0000 62.7794 32.3647 176.3934 132 V 4.3299 8.7525 123.7382 62.9515 32.5379 174.9816 133 F 5.1124 8.7955 121.1132 55.6684 42.2870 172.3465 134 L 5.0450 9.0041 120.9723 53.8427 42.8596 175.6057 135 G 4.3099 9.6289 114.3069 44.1296 0.0000 173.4385 136 G 2.9651 7.8492 110.3992 44.1659 0.0000 173.4205 137 T 4.5916 7.4338 107.8775 59.5273 71.6282 172.9625 138 K 4.4317 8.3193 122.2100 55.1892 35.1156 175.9759 139 G 4.1738 8.5311 106.4614 46.6668 0.0000 174.6346 140 G 4.2192 7.1145 109.7111 45.1038 0.0000 175.5496 141 Q 4.1504 8.6873 119.1292 57.7199 29.3830 175.9106 142 D 4.8487 7.8197 116.6532 53.2587 42.5548 175.3110 143 I 4.4030 8.3278 122.8233 60.3543 38.6238 176.2983 144 T 4.8355 8.4287 114.4749 61.1995 70.2909 173.0783 145 D 5.2020 7.6301 122.6797 53.0341 43.5976 175.2884 146 F 5.3717 9.4233 120.6092 56.1039 44.3346 173.4529 147 T 5.0363 9.1254 109.5720 60.2127 72.0594 172.5197 148 M 5.1704 8.6582 121.6660 53.9025 35.2524 174.4833 149 Q 4.7915 8.7470 123.8408 54.1113 31.9521 174.7498 150 F 4.8233 9.1821 122.7917 57.1108 40.3240 175.3612 151 V 4.6756 8.4180 116.2815 59.1814 33.9609 177.3446 152 S 3.9552 9.0213 118.9899 59.5680 63.0289 174.5277 153 S 4.1120 8.0590 120.3494 58.8418 63.6339 170.6209 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 A 8.26 4.31 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 P 0.00 4.11 0.00 2.13 2.13 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 3 V 8.30 4.46 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.02 0.00 0.00 4 R 8.49 4.61 0.00 1.88 1.95 0.00 3.04 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 5 S 8.70 5.64 0.00 3.79 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.78 4.89 0.00 1.97 1.93 1.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.88 5.44 0.00 2.72 2.79 0.00 0.00 6.57 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 C 8.92 5.18 0.00 2.88 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.83 5.12 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 10 L 8.58 5.41 0.00 1.49 1.57 -0.11 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.79 5.05 0.00 1.80 1.80 0.00 3.28 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 12 D 8.79 4.72 0.00 2.24 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.25 4.09 0.00 3.93 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 8.04 4.37 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 15 Q 8.13 3.66 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.46 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 16 K 8.32 4.38 0.00 1.91 1.72 0.00 1.54 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.80 1.20 7.81 17 S 8.95 4.96 0.00 3.77 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.32 5.27 0.00 1.65 1.61 1.03 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.75 4.76 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.99 0.00 0.00 20 M 8.45 4.19 0.00 1.83 1.92 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 21 S 9.54 4.04 0.00 3.79 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.11 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.22 0.00 1.42 1.94 0.00 3.70 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.90 0.00 24 Y 7.54 4.94 0.00 3.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.05 4.88 0.00 2.07 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 26 L 8.65 5.29 0.00 1.66 1.55 1.04 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.38 5.23 0.00 1.62 1.67 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.38 7.81 28 A 8.61 5.43 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.66 4.71 0.00 1.93 1.82 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 30 H 10.96 4.59 0.00 3.15 3.32 0.00 5.79 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.37 4.84 0.00 1.54 1.50 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.58 4.56 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.76 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 33 G 8.52 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.92 3.97 0.00 2.20 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.87 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 35 D 8.11 4.50 0.00 2.73 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 M 8.17 3.97 0.00 2.06 2.28 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 37 E 7.79 4.07 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 38 Q 8.04 4.13 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 39 Q 7.72 4.28 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.85 0.00 0.00 0.00 0.00 0.00 2.45 2.26 0.00 40 V 8.24 3.60 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.79 0.00 0.00 41 V 7.96 4.32 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.86 0.00 0.00 42 F 9.27 5.00 0.00 2.92 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 9.16 4.93 0.00 3.81 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 M 9.02 4.71 0.00 2.06 1.79 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.94 0.00 45 S 8.87 5.26 0.00 3.87 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 9.04 4.66 0.00 3.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.75 4.43 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 1.03 0.00 0.00 48 Q 8.83 4.27 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.11 0.00 0.00 0.00 0.00 0.00 2.59 2.47 0.00 49 G 8.43 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.31 3.96 0.00 1.94 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 51 E 8.58 4.92 0.00 1.96 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.41 0.00 52 S 8.85 4.74 0.00 3.83 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.77 4.59 0.00 2.87 2.95 0.00 0.00 5.77 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.10 4.93 0.00 2.70 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.02 4.72 0.00 1.89 1.71 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.43 7.81 56 I 8.71 4.96 2.02 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.07 1.19 0.00 0.00 57 P 0.00 5.04 0.00 2.16 2.23 0.00 3.73 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.05 0.00 58 V 9.48 4.89 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 1.11 0.00 0.00 59 A 9.00 5.44 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.98 4.75 0.00 1.35 1.21 -0.39 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.68 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.99 4.51 0.00 1.47 1.38 0.86 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.49 3.89 0.00 1.70 1.65 0.00 1.94 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.54 7.81 64 E 9.00 3.87 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 65 K 7.77 4.56 0.00 1.57 1.56 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.39 7.81 66 N 8.48 4.86 0.00 2.99 3.04 0.00 0.00 6.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.23 5.37 0.00 1.46 1.55 0.80 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 9.14 5.18 0.00 2.79 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.11 4.87 0.00 1.68 1.82 0.44 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 70 S 9.98 5.07 0.00 3.86 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 C 8.48 5.42 0.00 2.71 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.68 4.66 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 1.01 0.00 0.00 73 L 8.43 4.44 0.00 1.49 1.49 0.94 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.53 4.25 0.00 1.66 1.54 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.36 7.81 75 D 9.22 4.20 0.00 2.82 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.43 4.43 0.00 2.79 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.39 4.33 0.00 1.67 1.60 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.21 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.12 1.31 7.81 78 P 0.00 3.66 0.00 0.49 0.49 0.00 2.20 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 79 T 8.67 4.74 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 80 L 8.74 5.11 0.00 1.86 1.72 1.14 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 9.19 4.78 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 82 L 8.61 5.11 0.00 1.81 1.89 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 83 E 9.54 4.81 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 84 S 8.76 5.13 0.00 3.88 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.11 4.49 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.65 0.00 0.00 86 D 8.68 4.41 0.00 2.77 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.46 0.00 2.26 2.22 0.00 3.86 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 88 K 8.62 4.23 0.00 1.73 2.11 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.46 7.81 89 N 8.09 4.73 0.00 2.82 2.62 0.00 0.00 6.76 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 7.61 4.57 0.00 2.86 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.75 0.00 2.26 2.31 0.00 3.84 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 92 K 7.81 4.60 0.00 1.66 1.51 0.00 1.32 0.00 0.00 1.28 0.00 0.00 2.16 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.76 1.36 7.81 93 K 8.82 3.95 0.00 1.83 1.92 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.58 1.44 7.81 94 K 7.61 4.54 0.00 1.65 1.69 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.47 7.81 95 M 8.02 4.43 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.69 0.00 96 E 8.86 4.15 0.00 2.32 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.44 0.00 97 K 8.73 3.80 0.00 1.72 1.65 0.00 1.49 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.26 7.81 98 R 7.69 3.67 0.00 1.90 1.88 0.00 2.60 0.00 0.00 3.03 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 0.00 99 F 7.67 4.84 0.00 3.25 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 7.40 4.36 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.99 0.00 0.00 101 W 9.24 5.31 0.00 3.40 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 N 9.72 5.06 0.00 2.82 2.83 0.00 0.00 6.48 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 K 9.39 4.39 0.00 1.87 1.86 0.00 1.61 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 0.90 7.81 104 I 8.44 5.27 1.87 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.80 0.97 0.00 0.00 105 E 8.81 4.95 0.00 1.85 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 106 I 7.86 4.41 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.62 0.88 0.00 0.00 107 N 7.85 3.38 0.00 2.69 2.66 0.00 0.00 6.58 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 N 7.47 4.91 0.00 2.92 2.82 0.00 0.00 7.06 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 K 7.76 4.71 0.00 1.66 1.91 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.35 7.81 110 L 9.06 5.27 0.00 1.44 1.03 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.77 5.18 0.00 1.87 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.17 0.00 112 F 8.95 5.19 0.00 2.75 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 9.20 4.94 0.00 2.01 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.68 0.00 114 S 8.99 3.93 0.00 3.87 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.22 4.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 7.78 3.50 0.00 1.50 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.97 0.00 0.00 0.00 0.00 0.00 1.16 1.24 0.00 117 F 7.93 4.71 0.00 2.95 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 P 0.00 4.33 0.00 2.11 2.05 0.00 3.90 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 119 N 9.62 4.15 0.00 2.88 2.98 0.00 0.00 6.84 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 W 7.70 4.69 0.00 3.48 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 Y 9.47 5.58 0.00 2.86 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 I 8.62 4.30 1.73 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 -0.07 0.62 0.00 0.00 123 S 9.41 5.08 0.00 2.72 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.51 5.06 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 125 S 8.74 4.99 0.00 4.05 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 Q 8.78 4.07 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.32 0.00 127 A 7.55 4.19 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.56 4.18 0.00 2.10 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 129 N 8.14 4.25 0.00 2.81 2.84 0.00 0.00 7.06 8.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 M 7.14 4.76 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.85 0.00 131 P 0.00 4.99 0.00 2.04 2.20 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 132 V 8.75 4.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.01 0.00 0.00 133 F 8.80 5.11 0.00 3.21 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 9.00 5.04 0.00 1.92 1.91 1.44 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 135 G 9.63 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 G 7.85 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 T 7.43 4.59 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 138 K 8.32 4.43 0.00 1.70 1.54 0.00 0.91 0.00 0.00 1.68 0.00 0.00 2.71 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.85 1.13 7.81 139 G 8.53 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 7.11 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Q 8.69 4.15 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 142 D 7.82 4.85 0.00 2.74 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 I 8.33 4.40 1.69 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.60 0.61 0.00 0.00 144 T 8.43 4.84 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 145 D 7.63 5.20 0.00 2.48 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 F 9.42 5.37 0.00 3.04 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 T 9.13 5.04 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 148 M 8.66 5.17 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.93 0.00 149 Q 8.75 4.79 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 150 F 9.18 4.82 0.00 2.92 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 V 8.42 4.68 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.03 0.00 0.00 152 S 9.02 3.96 0.00 3.99 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 S 8.06 4.11 0.00 4.09 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00