NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.4433 8.4345 117.0995 58.2476 63.6357 173.8537 10 D 4.7966 8.6204 123.3300 49.7093 41.4859 171.0417 11 K 4.2923 8.6457 119.6297 56.3025 34.5939 174.5958 12 P 4.7287 0.0000 0.0000 62.6721 32.2280 175.5639 13 V 4.9457 8.8030 122.7048 60.6667 35.5665 173.7318 14 A 4.6863 8.5906 120.8922 51.8936 23.1308 175.5617 15 H 5.1810 8.9692 119.5012 55.8423 32.2823 172.8824 16 V 4.7547 8.9109 118.0500 59.6864 34.3890 174.9355 17 V 5.3904 8.8419 115.1739 59.2394 36.2312 174.7661 18 A 4.0535 8.4916 124.2493 51.5551 19.0313 177.1875 19 N 4.4860 9.0992 123.3350 53.1076 39.3946 174.2338 20 P 4.9868 0.0000 0.0000 65.1446 32.0478 177.4608 21 Q 3.9707 9.4960 120.6859 59.3642 29.0914 175.6051 22 A 3.7158 7.6288 121.7332 51.8778 16.3786 178.3292 23 E 4.2072 8.8808 120.4832 57.5361 27.5194 173.4051 24 G 4.3249 8.8647 115.7630 46.4584 0.0000 171.6276 25 Q 4.4058 7.3558 115.8100 52.4681 32.0995 177.7548 26 L 3.5771 8.0254 120.1337 54.4388 41.7705 176.0851 27 Q 4.3759 7.4596 128.6131 53.4875 30.9022 174.3882 28 W 4.9920 8.2846 126.8922 57.4774 29.9029 175.9571 29 S 4.8076 9.7458 117.8705 56.8424 65.7171 173.8416 30 N 5.0300 8.9553 121.8764 52.6724 37.6321 174.9021 31 R 4.6336 7.8674 115.1542 56.4360 30.0714 175.9391 32 R 4.6544 7.6738 115.9438 54.8719 33.6564 173.9653 33 A 4.0126 8.5953 124.3206 54.0262 18.6573 177.0595 34 N 4.1841 8.7911 116.0480 54.6055 36.0969 173.9943 35 A 5.1720 8.0024 117.2656 50.3705 22.2891 176.5608 36 L 4.7431 8.5213 118.0158 53.3654 46.7108 175.6989 37 L 5.0602 8.0402 116.9272 54.7793 43.7699 172.4894 38 A 4.6927 8.5985 126.7906 49.1985 24.1063 174.7090 39 N 4.2492 9.8489 112.5919 55.0256 36.3472 176.1908 40 G 4.1200 8.4708 106.5662 45.7334 0.0000 175.2379 41 V 4.2679 7.9672 119.9268 62.1756 32.1749 175.2381 42 E 4.7419 8.6635 125.0527 54.3959 33.0805 175.1858 43 L 4.3936 8.4465 121.9141 53.8991 42.2603 176.5199 44 R 4.3561 8.7989 125.3389 55.4174 31.9856 174.7814 45 D 4.3882 9.1930 125.6998 55.7304 37.6729 174.4136 46 N 4.4346 8.6484 113.8509 54.1308 37.7978 172.9236 47 Q 5.0576 7.5978 115.3235 54.4449 32.7279 174.1329 48 L 4.9243 8.4021 120.7904 53.1634 44.0776 175.7316 49 V 4.6217 8.0376 123.5332 60.7827 33.8946 174.8307 50 V 3.8151 8.3297 129.1730 62.3514 31.9753 174.7991 51 P 4.4917 0.0000 0.0000 63.6334 32.0678 175.0242 52 I 4.2940 7.1132 116.9160 60.0963 40.5606 173.0917 53 E 5.2197 7.9442 122.8938 55.9560 30.0524 176.3743 54 G 4.0776 8.4122 106.1279 43.0797 0.0000 172.6531 55 L 4.7167 7.8531 119.5378 54.8565 43.1933 176.6678 56 F 5.1915 8.9534 119.4719 56.2145 44.1129 173.0112 57 L 5.1939 9.3958 126.3009 53.8014 43.7900 175.0423 58 I 5.1738 9.0975 120.0915 59.3243 40.3039 174.1138 59 Y 5.4037 8.0982 122.9998 55.7401 42.2242 173.8430 60 S 4.6578 8.1293 111.3251 57.6986 66.7046 174.0593 61 Q 5.3976 8.0897 126.1852 53.4527 32.6855 174.0099 62 V 4.6787 8.2097 117.3666 59.3331 36.1034 173.9976 63 L 5.1580 8.1566 124.6832 53.3006 45.2982 174.8702 64 F 5.6832 9.2550 123.1952 55.9470 42.5844 174.0834 65 K 4.5250 8.2966 122.7046 53.9520 35.7108 175.2427 66 G 3.5679 6.2594 108.3803 45.6760 0.0000 171.9207 67 Q 4.7870 8.6282 120.0191 54.5953 30.9505 176.5120 68 G 4.0457 8.8136 114.3223 45.1460 0.0000 172.9803 69 C 4.9422 8.3248 115.9500 53.6850 41.3673 172.6206 70 P 4.3656 0.0000 0.0000 63.2959 29.9557 177.2711 71 S 3.6395 8.0645 113.5415 59.8065 62.2332 171.9832 72 T 3.1792 8.3744 120.3661 64.2092 67.6135 171.0946 73 H 4.7762 8.2430 117.9879 53.9916 31.0255 173.8994 74 V 3.9875 8.1215 124.6307 62.4781 32.5061 175.1138 75 L 4.7849 8.1836 124.8094 52.9158 44.9865 175.6158 76 L 4.6069 8.9021 124.4818 53.2196 43.6421 175.7540 77 T 5.2406 9.2103 113.9297 60.3899 72.6012 172.4638 78 H 5.5291 8.8108 121.5668 55.4998 34.1410 172.2057 79 T 4.9585 8.8401 118.8253 61.9343 71.5686 172.0247 80 I 5.0846 8.1210 129.8374 60.1227 38.6459 175.3348 81 S 5.0574 8.3607 122.7699 56.8131 66.5514 172.8275 82 R 4.7629 8.7187 121.3105 54.5904 33.0167 174.0856 83 I 4.3170 8.6167 125.7825 59.1708 39.8634 175.0092 84 A 4.8736 8.3374 135.0000 53.1534 21.1168 178.8919 85 V 3.1774 8.0484 115.9526 64.1963 33.1410 178.1495 86 S 4.3553 8.3921 109.6696 57.5151 62.8437 169.0527 *87 Y 3.3900 8.2182 126.0652 57.0517 36.4419 170.7185 88 Q 4.4162 8.8519 126.8679 54.6461 30.3258 175.1205 89 T 4.4830 8.9465 107.0180 61.2560 71.0481 173.0533 90 K 4.2874 8.9216 128.5977 57.3093 32.9188 176.5742 91 V 4.5100 8.3797 122.2879 59.7572 34.9722 174.4072 92 N 4.5538 8.9058 121.9492 53.8953 38.4757 174.2701 93 L 4.4534 8.5971 123.7595 56.0176 43.0684 177.0795 94 L 4.9756 7.3899 116.9549 53.2650 46.1180 175.4133 95 S 4.9164 8.4383 114.3035 57.5095 65.4889 173.3019 96 A 4.9150 8.9542 126.7031 50.6280 23.0069 174.9323 97 I 5.1011 8.2275 118.6565 59.6183 41.3885 174.7525 98 K 4.6940 9.2708 126.4934 54.6905 36.3041 175.2334 99 S 4.7507 8.3921 119.4262 55.6708 63.3989 171.8113 100 P 3.6420 0.0000 0.0000 65.1526 31.0823 177.5388 101 C 4.4708 7.3544 117.8140 54.8301 40.2435 173.0062 102 Q 3.7841 8.4782 129.0831 58.4556 29.2305 176.3935 103 R 4.5836 6.8455 113.0868 54.1923 33.0788 177.6964 104 E 5.9375 8.0210 130.7253 57.5998 31.7498 176.2330 105 T 4.6697 7.9779 116.0463 62.3460 75.7476 172.6767 106 P 4.5223 0.0000 0.0000 62.1942 32.4181 175.3592 107 E 4.7144 8.0424 114.8490 54.4495 32.0184 176.5475 108 G 4.0691 7.7424 109.4527 44.0043 0.0000 172.9259 109 A 4.2206 7.5666 123.6105 53.7545 21.8309 175.7070 110 E 4.5381 8.3739 112.0670 56.2908 33.3700 167.7400 111 A 4.0537 8.6407 125.3544 52.3595 18.6759 178.3989 112 K 5.3714 7.3177 125.9999 56.1392 34.7689 170.4010 113 P 5.2917 0.0000 0.0000 63.1177 31.9753 176.0101 114 W 5.0599 8.2659 121.3682 54.9469 31.2505 174.3622 115 Y 5.4195 8.8443 117.8754 56.5413 41.1454 174.7653 116 E 4.9523 10.0769 123.5066 54.3735 33.1949 173.1195 117 P 5.4970 0.0000 0.0000 61.5140 34.3250 174.9285 118 I 4.8213 8.6010 120.7649 60.0634 41.5573 173.4675 119 Y 5.0739 8.9392 127.6051 55.7060 41.3247 174.4305 120 L 4.8935 8.0983 126.1353 52.9908 45.3845 175.7900 121 G 4.4707 8.3666 105.3714 45.9168 0.0000 172.5787 122 G 4.1966 8.7397 109.8685 45.8100 0.0000 171.9849 123 V 4.9179 8.1129 120.1645 61.4084 32.7071 175.0302 124 F 4.8790 9.6614 126.1818 55.6462 43.3664 173.6867 125 Q 4.8984 8.9246 123.9443 55.5197 29.6364 174.5687 126 L 5.0658 9.2717 125.6454 53.1617 46.5576 175.3042 127 E 4.9800 8.7907 119.1944 54.1837 32.5649 175.9943 128 K 4.2069 8.4949 123.1703 57.9638 32.5728 177.0325 129 G 4.0645 8.8962 115.2363 45.2044 0.0000 173.5748 130 D 4.7849 8.0414 120.5433 54.1968 42.1759 175.5778 131 R 5.1441 9.0341 118.8100 54.3826 32.8366 174.3333 132 L 5.1707 9.0545 121.5869 53.1502 44.4021 175.2472 133 S 5.0623 8.8051 118.1451 56.3937 65.3352 172.7624 134 A 4.8606 8.5100 127.1575 50.2874 20.4817 174.7449 135 E 4.9188 9.0238 120.8118 55.3310 33.0993 175.6408 136 I 5.7851 8.5864 115.0481 58.7899 40.4444 174.6987 137 N 4.7129 8.3867 119.0825 53.3427 38.4372 176.0400 138 R 4.8820 8.0805 118.0306 52.2470 30.4987 173.5790 139 P 4.4208 0.0000 0.0000 64.6255 31.5395 178.5754 140 D 4.5040 8.1024 118.0968 54.9260 39.9826 176.3878 141 Y 4.8566 8.2908 116.9711 57.5431 40.0809 175.2140 142 L 4.3324 7.8333 122.6197 55.2733 42.6144 177.0958 143 D 4.7584 8.9091 128.5540 52.0301 39.6318 175.5393 144 F 4.8956 7.5806 115.3523 56.1036 38.8952 178.1364 145 A 3.9237 7.4247 126.7223 55.4659 18.3418 177.6092 146 E 4.5661 8.1088 111.1920 56.4440 32.2237 174.5382 147 S 3.3531 8.4183 112.8245 60.2658 62.4697 172.7660 148 G 4.0997 8.4047 105.5755 45.3230 0.0000 172.9020 149 Q 4.4311 8.1457 120.5601 57.2327 30.5077 176.5287 150 V 4.7601 7.8264 117.6144 61.2716 34.5615 174.0135 151 Y 5.5367 8.4284 125.0966 55.8797 42.1016 173.6254 152 F 4.9563 9.2575 122.9580 56.6269 43.0002 173.7647 153 G 3.8470 8.5517 112.1866 44.4309 0.0000 170.5336 154 I 5.4971 7.9121 111.6697 61.4095 41.4939 173.3144 155 I 4.7331 8.0516 118.3642 60.0528 41.1416 172.7895 156 A 3.9071 8.6482 134.4650 52.1670 18.9309 178.2404 *157 L 4.0145 7.7987 121.6522 54.4553 41.7299 173.8612 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 9 S 8.43 4.44 0.00 3.65 3.75 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 10 D 8.62 4.80 0.00 2.74 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.65 4.29 0.00 1.86 1.83 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.47 7.81 12 P 0.00 4.73 0.00 2.33 2.16 0.00 3.86 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.14 0.00 13 V 8.80 4.95 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 0.75 0.00 0.00 1.04 0.00 0.00 14 A 8.59 4.69 1.01 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 0.00 0.00 0.00 0.00 0.00 0.00 15 H 8.97 5.18 0.00 3.36 3.21 0.00 5.77 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.91 4.75 2.31 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 0.61 0.00 0.00 0.70 0.00 0.00 17 V 8.84 5.39 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.11 0.00 0.00 18 A 8.49 4.05 0.96 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 0.00 0.00 0.00 0.00 0.00 0.00 19 N 9.10 4.49 0.00 2.76 2.61 0.00 0.00 6.52 7.74 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 20 P 0.00 4.99 0.00 2.30 2.30 0.00 3.88 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 21 Q 9.50 3.97 0.00 2.02 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.65 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 22 A 7.63 3.72 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 23 E 8.88 4.21 0.00 1.91 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 2.31 1.88 0.00 24 G 8.86 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.36 4.41 0.00 2.19 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.19 2.14 0.00 26 L 8.03 3.58 0.00 1.16 1.27 -0.38 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 7.46 4.38 0.00 1.94 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.79 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 28 W 8.28 4.99 0.00 3.37 3.12 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 0.00 0.00 0.00 0.00 29 S 9.75 4.81 0.00 3.85 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 30 N 8.96 5.03 0.00 2.86 2.87 0.00 0.00 6.03 7.67 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 31 R 7.87 4.63 0.00 1.97 2.07 0.00 3.03 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 32 R 7.67 4.65 0.00 1.79 1.85 0.00 3.33 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 33 A 8.60 4.01 1.28 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 0.00 0.00 0.00 34 N 8.79 4.18 0.00 2.92 2.93 0.00 0.00 6.78 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.00 5.17 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.52 4.74 0.00 1.68 1.52 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.04 5.06 0.00 1.56 1.52 0.86 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.60 4.69 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 9.85 4.25 0.00 3.00 2.96 0.00 0.00 7.18 8.05 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 40 G 8.47 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.97 4.27 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 0.93 0.00 0.00 1.00 0.00 0.00 42 E 8.66 4.74 0.00 2.02 1.97 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 2.20 2.26 0.00 43 L 8.45 4.39 0.00 1.55 1.70 1.07 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.80 4.36 0.00 1.78 1.73 0.00 3.23 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 45 D 9.19 4.39 0.00 2.90 2.81 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 N 8.65 4.43 0.00 2.87 3.01 0.00 0.00 7.04 7.04 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 47 Q 7.60 5.06 0.00 2.23 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.56 0.00 48 L 8.40 4.92 0.00 1.28 1.23 -0.41 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.04 4.62 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.89 0.00 0.00 50 V 8.33 3.82 2.01 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 0.87 0.00 0.00 0.45 0.00 0.00 51 P 0.00 4.49 0.00 2.24 2.29 0.00 3.89 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 1.92 0.00 52 I 7.11 4.29 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.60 1.02 0.00 0.00 53 E 7.94 5.22 0.00 2.04 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 0.00 2.52 2.31 0.00 54 G 8.41 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 55 L 7.85 4.72 0.00 1.51 1.54 0.88 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.95 5.19 0.00 3.24 2.91 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 57 L 9.40 5.19 0.00 1.85 1.70 1.12 0.74 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 58 I 9.10 5.17 1.92 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.87 1.02 0.00 0.00 59 Y 8.10 5.40 0.00 3.21 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.13 4.66 0.00 3.54 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 8.09 5.40 0.00 2.09 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 62 V 8.21 4.68 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.61 0.00 0.00 63 L 8.16 5.16 0.00 1.76 1.48 1.07 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.25 5.68 0.00 3.55 3.10 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 0.00 0.00 0.00 65 K 8.30 4.52 0.00 1.33 1.31 0.00 1.59 0.00 0.00 1.33 0.00 0.00 2.55 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.58 0.21 7.81 66 G 6.26 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.63 4.79 0.00 1.87 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 5.98 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 68 G 8.81 4.05 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 0.00 0.00 0.00 69 C 8.32 4.94 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.37 0.00 2.21 2.17 0.00 4.07 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 71 S 8.06 3.64 0.00 4.01 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 72 T 8.37 3.18 4.23 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 73 H 8.24 4.78 0.00 3.04 3.10 0.00 5.71 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.12 3.99 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.89 0.00 0.00 75 L 8.18 4.78 0.00 1.45 1.44 0.88 0.93 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 76 L 8.90 4.61 0.00 1.28 1.01 0.44 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.21 5.24 4.26 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 1.20 0.00 0.00 78 H 8.81 5.53 0.00 3.35 3.17 0.00 5.64 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.84 4.96 4.25 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 1.26 0.00 0.00 80 I 8.12 5.08 1.67 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.83 0.80 0.00 0.00 81 S 8.36 5.06 0.00 3.70 3.77 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 82 R 8.72 4.76 0.00 1.68 1.64 0.00 2.99 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.45 0.00 83 I 8.62 4.32 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.51 0.93 0.00 0.00 84 A 8.34 4.87 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 85 V 8.05 3.18 2.08 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 0.81 0.00 0.00 0.93 0.00 0.00 86 S 8.39 4.36 0.00 3.84 3.73 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 *87 Y 8.22 3.39 0.00 2.37 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.85 4.42 0.00 1.80 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.59 0.00 0.00 0.00 0.00 0.00 2.17 1.88 0.00 89 T 8.95 4.48 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 90 K 8.92 4.29 0.00 1.66 1.73 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.45 7.81 91 V 8.38 4.51 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.93 0.00 0.00 92 N 8.91 4.55 0.00 2.60 2.80 0.00 0.00 6.97 7.84 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 93 L 8.60 4.45 0.00 1.33 0.82 0.22 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.39 4.98 0.00 1.47 1.51 1.04 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.44 4.92 0.00 3.82 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 96 A 8.95 4.92 1.26 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 0.00 0.00 97 I 8.23 5.10 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.71 0.93 0.00 0.00 98 K 9.27 4.69 0.00 1.77 1.50 0.00 1.65 0.00 0.00 1.81 0.00 0.00 3.17 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.28 1.35 7.81 99 S 8.39 4.75 0.00 3.71 3.72 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 0.00 100 P 0.00 3.64 0.00 0.49 0.55 0.00 3.59 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.04 0.00 101 C 7.35 4.47 0.00 2.84 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.48 3.78 0.00 1.89 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.64 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 103 R 6.85 4.58 0.00 1.82 1.62 0.00 3.47 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.18 0.00 104 E 8.02 5.94 0.00 2.16 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 0.00 2.50 2.08 0.00 105 T 7.98 4.67 4.24 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 106 P 0.00 4.52 0.00 2.20 2.09 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 107 E 8.04 4.71 0.00 1.98 1.73 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 2.12 1.83 0.00 108 G 7.74 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.57 4.22 1.31 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 0.00 110 E 8.37 4.54 0.00 1.95 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.84 0.00 111 A 8.64 4.05 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 K 7.32 5.37 0.00 2.04 2.04 0.00 1.33 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.22 1.24 7.81 113 P 0.00 5.29 0.00 1.97 2.01 0.00 3.38 0.00 0.00 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.83 0.00 114 W 8.27 5.06 0.00 3.37 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.84 5.42 0.00 2.92 2.96 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 0.00 0.00 0.00 0.00 116 E 10.08 4.95 0.00 2.25 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 0.00 2.58 2.22 0.00 117 P 0.00 5.50 0.00 2.19 2.15 0.00 3.89 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 118 I 8.60 4.82 2.07 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.08 1.05 0.00 0.00 119 Y 8.94 5.07 0.00 3.07 2.91 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 0.00 120 L 8.10 4.89 0.00 1.50 1.40 0.94 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.37 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.74 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.11 4.92 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 0.79 0.00 0.00 0.94 0.00 0.00 124 F 9.66 4.88 0.00 3.11 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 0.00 125 Q 8.92 4.90 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 126 L 9.27 5.07 0.00 1.67 1.69 0.69 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.79 4.98 0.00 2.12 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 2.51 2.26 0.00 128 K 8.49 4.21 0.00 1.75 1.75 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.54 7.81 129 G 8.90 4.06 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 0.00 0.00 0.00 130 D 8.04 4.78 0.00 2.65 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 R 9.03 5.14 0.00 1.79 1.96 0.00 2.71 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 132 L 9.05 5.17 0.00 1.60 1.74 0.73 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.81 5.06 0.00 3.88 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.51 4.86 0.29 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 0.00 0.00 0.00 135 E 9.02 4.92 0.00 1.93 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 2.23 2.21 0.00 136 I 8.59 5.79 2.17 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 1.03 0.34 1.02 0.00 0.00 137 N 8.39 4.71 0.00 2.95 3.00 0.00 0.00 6.73 7.80 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 0.00 138 R 8.08 4.88 0.00 2.02 2.25 0.00 3.64 0.00 0.00 3.42 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 139 P 0.00 4.42 0.00 2.39 2.27 0.00 3.73 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.95 0.00 140 D 8.10 4.50 0.00 2.61 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.29 4.86 0.00 3.37 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.83 4.33 0.00 1.95 1.86 0.81 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 143 D 8.91 4.76 0.00 2.68 2.61 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 0.00 0.00 0.00 0.00 144 F 7.58 4.90 0.00 3.12 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 0.00 145 A 7.42 3.92 1.19 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 0.00 0.00 0.00 146 E 8.11 4.57 0.00 2.06 1.93 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 2.30 2.32 0.00 147 S 8.42 3.35 0.00 4.01 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.40 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 149 Q 8.15 4.43 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 150 V 7.83 4.76 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.99 0.00 0.00 151 Y 8.43 5.54 0.00 3.04 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 F 9.26 4.96 0.00 1.51 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.55 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 I 7.91 5.50 1.88 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.70 0.52 0.00 0.00 155 I 8.05 4.73 2.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.12 1.07 0.00 0.00 156 A 8.65 3.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *157 L 7.80 4.01 0.00 1.35 1.46 0.94 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.