NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1D H 4.7896 8.4449 117.8325 56.3019 30.2777 172.1553 1E H 4.8677 7.9402 114.3684 51.8043 32.7163 171.6049 1F H 4.6086 9.0075 117.1444 56.0239 29.8050 174.0104 1G F 4.8379 8.3746 119.4707 57.8169 39.8439 174.4332 2 N 4.6404 8.5389 117.9445 52.3273 38.6206 174.5796 3 L 4.6847 8.0749 123.6487 52.3071 43.5946 174.8686 4 P 4.6519 0.0000 0.0000 60.8671 32.8490 174.4977 5 P 4.1725 0.0000 0.0000 65.6778 31.0820 174.2055 6 G 3.7283 8.0272 113.4120 43.8926 0.0000 172.6250 7 N 4.6133 7.9072 117.5602 51.9127 42.1631 174.0260 8 Y 4.8629 8.3842 119.1248 57.8422 38.8635 176.5611 9 K 4.3005 8.0838 120.9098 57.6723 32.8945 177.1926 10 K 4.7035 7.5934 115.9815 53.3065 34.9713 173.9776 11 P 4.6764 0.0000 0.0000 63.2534 32.3470 174.9191 12 K 4.8899 9.3281 119.4988 55.0485 37.7005 175.1603 13 L 4.9223 8.7644 120.4798 52.9434 44.5891 176.6184 14 L 4.4358 8.7145 125.4279 54.8551 42.7958 175.4215 15 Y 4.9241 9.0623 126.7284 56.2951 39.7776 174.4794 16 C 4.0543 8.2752 127.2828 58.1625 32.9491 174.6711 17 S 4.0552 7.7087 119.0115 60.9032 62.4828 175.5177 18 N 4.8289 6.9475 117.0961 54.9852 38.3792 176.0290 18 G 4.0489 6.8775 107.1961 46.9852 0.0000 175.7290 21 H 4.9276 7.2442 115.2741 53.5226 33.0268 172.5313 22 F 5.2523 9.0561 119.5735 55.8317 41.3272 175.1042 23 L 4.5702 8.5302 124.8171 55.0492 42.8794 176.0940 24 R 4.6822 9.1686 125.7682 54.6359 33.7117 173.9091 25 I 4.7789 8.0468 125.5811 59.3042 39.0640 175.6022 26 L 4.1606 8.6873 127.6866 53.5442 42.2179 177.0891 27 P 4.2234 0.0000 0.0000 65.6782 31.3188 177.3058 28 D 4.4785 7.9913 114.9486 53.8792 39.8434 176.9501 29 G 4.0206 8.5746 109.7617 45.6187 0.0000 173.2080 30 T 4.4238 8.1488 117.6533 62.6981 69.2745 173.8428 31 V 4.8384 7.9219 125.7052 61.2979 33.7527 174.3376 32 D 4.5525 8.2789 124.3367 53.1762 43.0420 174.2133 33 G 4.5683 8.8354 105.1566 45.2780 0.0000 172.6767 34 T 4.9454 8.7370 115.3595 60.5692 71.1216 174.5104 35 R 4.3200 8.7841 124.6154 56.2983 31.0294 176.0996 36 D 4.6224 8.1304 119.7864 53.1889 40.5538 176.7868 37 R 3.4819 8.6567 128.0086 58.2536 30.3189 176.9862 38 S 4.4694 7.9535 110.2450 58.1348 63.6551 173.8214 39 D 4.4665 7.6136 121.0056 54.8894 41.3686 175.5359 40 Q 4.7465 8.3777 120.7540 55.6480 28.5732 175.5741 41 H 4.8066 8.9631 113.7596 56.1644 29.9906 174.7731 42 I 4.3905 7.5893 111.8042 60.7740 37.8664 175.3918 43 Q 4.2376 7.8043 122.0445 55.9362 29.5601 174.9102 44 L 4.9054 8.9174 124.2458 52.7825 45.8253 175.3343 45 Q 4.8709 8.7849 121.9207 54.4455 31.7364 174.3583 46 L 5.4646 8.9361 125.6390 52.7728 44.7834 175.8708 47 S 4.5828 8.2681 113.9028 57.0687 66.4145 173.1252 48 A 4.2281 7.7750 125.9473 51.6051 19.0702 176.7980 49 E 4.3439 8.1355 122.6070 56.7214 30.8269 175.2224 50 S 4.3947 7.0721 112.6446 57.7976 66.6260 174.3347 51 V 3.8751 8.3418 121.6019 65.6592 31.0076 175.2878 52 G 4.0220 9.2122 116.9078 44.7899 0.0000 171.6864 53 E 5.0500 7.7413 119.1459 55.0148 31.7690 175.8558 54 V 4.8898 8.9573 116.3784 60.0276 36.9122 173.6553 55 Y 5.3169 8.5959 118.1174 56.5259 41.8876 175.5898 56 I 4.6319 8.6756 122.5744 59.6864 39.8282 174.4186 57 K 4.5968 8.8449 128.9882 54.9268 34.4338 175.5145 58 S 4.8777 8.4428 120.3736 56.6647 64.4731 175.1077 59 T 3.7251 8.3426 111.7722 64.5589 68.6063 176.3132 *61 T 4.4342 7.2445 109.8553 60.3498 70.5112 173.8721 62 G 4.1372 7.1502 111.4080 45.9782 0.0000 173.3101 63 Q 4.9166 8.0631 117.0873 53.9185 32.3835 174.3562 64 Y 5.0947 9.0254 119.8661 55.9070 40.5885 175.2448 65 L 4.4291 8.6852 125.9339 55.4359 43.7114 175.4872 66 A 4.9195 8.4589 125.4398 50.7844 23.5889 174.4542 67 M 5.4299 8.3481 118.0766 54.0485 35.0540 174.9827 68 D 5.1723 9.4314 126.0028 52.0464 40.8136 176.9828 69 T 4.1385 8.5110 113.0645 64.4491 67.2407 173.9481 70 D 4.5912 8.2371 119.4509 54.7089 41.6359 177.2052 71 G 3.2503 8.5023 108.4513 44.8219 0.0000 172.3643 72 L 4.9227 9.0324 120.4662 52.9320 43.6917 175.9003 73 L 5.5791 8.7542 122.9767 54.0544 42.9821 175.5389 74 Y 4.8243 8.1501 118.9179 56.0758 41.4794 173.4061 75 G 4.2123 8.9029 109.0365 45.2877 0.0000 173.3239 76 S 4.9499 9.0163 121.7732 57.1892 63.9722 175.2191 77 Q 4.3178 8.9232 124.4342 57.8358 29.0898 176.5745 78 T 4.6775 7.5464 106.0300 58.5634 71.4651 171.8395 79 P 3.7436 0.0000 0.0000 62.5909 32.1598 175.1090 80 N 4.8336 7.8903 116.5681 51.7388 39.8698 174.4449 81 E 4.0892 8.6906 115.2231 58.5034 29.1745 177.1709 82 E 4.2689 8.6258 119.0184 57.0024 29.9805 176.8048 83 C 4.8064 7.7608 115.3574 58.9132 28.9770 173.1479 84 L 4.5974 7.3156 121.3573 53.4436 43.0557 175.5037 85 F 5.3801 8.7467 121.8376 55.5581 43.1782 174.1643 86 L 4.7386 9.2438 123.5453 54.3072 42.9232 175.2662 87 E 4.8463 9.4621 126.1350 54.7958 30.9009 175.2482 88 R 4.8340 8.3146 124.5659 54.1021 34.8595 174.5343 89 L 4.6757 8.8444 123.7968 55.2467 43.3000 175.8696 90 E 4.5644 8.8546 124.3112 55.5926 33.6496 175.2858 91 E 3.9206 9.5441 124.0172 57.0225 27.0209 176.2766 92 N 4.5664 8.3834 116.5167 53.8238 37.4818 174.7798 93 H 4.6813 7.7327 112.2614 56.3398 31.4205 173.5114 94 Y 4.7049 7.9770 116.9263 57.2161 40.1813 174.1713 95 N 5.7099 9.3425 117.1403 52.0259 42.3614 174.3270 96 T 5.2786 8.3692 110.7696 60.4136 73.4281 172.1599 97 Y 5.2675 8.6928 118.8491 56.4664 41.9302 174.2684 98 I 4.8739 8.6143 124.9701 59.0901 40.1385 175.1776 99 S 4.2380 8.7468 122.1719 58.4784 62.5996 174.1274 100 K 3.9964 8.7936 129.0198 59.3956 32.2131 178.9091 101 K 3.8568 7.8817 118.0637 58.8704 32.4498 176.4739 102 H 5.3753 7.8637 114.6249 54.1323 29.7168 175.8711 103 A 3.9317 7.8823 125.1522 55.2902 18.5044 180.8972 104 E 3.9882 8.1368 113.1718 58.9470 29.5839 178.4004 105 K 4.0915 7.4908 116.3946 55.7160 32.8254 175.7608 106 N 3.7607 7.6140 115.3187 53.8763 36.1240 175.6500 107 W 4.8474 7.6206 118.6529 55.9788 30.4493 177.8783 108 F 5.3832 8.7569 124.1826 55.7821 40.3872 175.4021 109 V 4.3766 8.5653 119.6027 61.8920 33.2345 174.8147 110 G 4.8248 8.4958 112.9309 45.1030 0.0000 171.2260 111 L 5.2785 8.1639 118.9827 52.6795 45.5132 177.0804 112 K 4.2913 8.8990 122.2238 55.2006 33.1917 178.3092 113 K 4.0769 8.3751 119.2763 58.5314 32.0001 177.7702 114 N 4.6031 8.0703 114.9099 52.4388 37.8308 175.7556 115 G 3.8178 8.1875 108.2912 45.3434 0.0000 173.0229 116 S 5.0632 7.8240 114.1938 56.2397 65.8990 173.6272 117 C 4.7655 8.5670 118.4937 60.0313 28.7029 173.2213 118 K 4.5302 8.1874 120.8970 54.9356 33.6071 176.5552 119 R 4.2152 8.4626 123.4565 55.3486 31.0386 176.9599 120 G 3.2853 7.9872 113.8269 48.4375 0.0000 174.0133 121 P 4.3150 0.0000 0.0000 64.4660 31.4562 177.6467 122 R 4.2776 7.8606 115.6849 56.7416 30.4773 176.3713 123 T 4.7975 7.9085 108.4230 59.8450 70.5667 173.4938 124 H 4.7947 8.0272 116.2329 54.7607 30.8313 172.7083 125 Y 4.0393 8.5254 118.4743 59.7408 37.9614 177.0011 126 G 4.1041 9.0496 111.6057 45.4509 0.0000 173.5936 127 Q 4.4419 7.5280 118.8508 54.4599 30.2917 176.8048 128 K 3.8728 8.2168 118.6397 58.1216 32.8305 179.2832 129 A 3.7921 7.7768 121.9562 54.1870 18.4027 178.5688 130 I 4.4799 7.1524 106.3459 60.4284 38.7907 175.4987 131 L 4.2323 7.2457 123.1971 54.3377 42.1973 176.0496 132 F 5.2873 9.4200 123.0339 55.6803 43.2264 174.9711 133 L 4.9716 9.0242 122.4059 53.2739 45.0395 173.1997 134 P 4.8350 0.0000 0.0000 62.8788 31.8788 175.7262 135 L 4.8582 8.6350 124.9008 52.1359 44.5588 174.5877 136 P 4.6535 0.0000 0.0000 62.5489 32.3769 177.1221 137 V 3.8411 8.1909 114.6354 61.7092 31.6811 176.2344 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 1D H 8.44 4.79 0.00 3.10 3.33 0.00 5.61 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.94 4.87 0.00 3.21 3.28 0.00 5.90 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 1F H 9.01 4.61 0.00 3.35 3.41 0.00 5.47 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.37 4.84 0.00 2.89 3.08 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 2 N 8.54 4.64 0.00 2.91 2.78 0.00 0.00 6.91 6.74 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 3 L 8.07 4.68 0.00 1.49 1.44 0.60 0.49 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 4 P 0.00 4.65 0.00 2.16 2.04 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 5 P 0.00 4.17 0.00 2.15 2.20 0.00 3.89 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 6 G 8.03 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 0.00 0.00 0.00 7 N 7.91 4.61 0.00 2.56 2.60 0.00 0.00 6.82 7.46 0.00 0.00 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 Y 8.38 4.86 0.00 3.01 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 9 K 8.08 4.30 0.00 1.76 1.88 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.42 7.81 10 K 7.59 4.70 0.00 1.70 1.68 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.39 7.81 11 P 0.00 4.68 0.00 2.07 2.05 0.00 3.71 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 12 K 9.33 4.89 0.00 1.63 1.85 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.57 7.81 13 L 8.76 4.92 0.00 1.70 1.68 0.72 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.71 4.44 0.00 1.67 1.75 0.57 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.06 4.92 0.00 3.23 3.07 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 16 C 8.28 4.05 0.00 2.52 2.36 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 17 S 7.71 4.06 0.00 3.78 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 N 6.95 4.83 0.00 2.69 2.75 0.00 0.00 7.00 7.53 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 18 G 6.88 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 21 H 7.24 4.93 0.00 2.94 3.12 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 9.06 5.25 0.00 3.12 3.01 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 23 L 8.53 4.57 0.00 1.78 1.60 0.91 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.17 4.68 0.00 1.94 1.85 0.00 3.10 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.78 0.00 25 I 8.05 4.78 1.85 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 0.77 0.90 0.00 0.00 26 L 8.69 4.16 0.00 1.70 1.52 0.88 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.22 0.00 2.05 2.14 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 28 D 7.99 4.48 0.00 2.78 2.78 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 29 G 8.57 4.02 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 0.00 30 T 8.15 4.42 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 1.23 0.00 0.00 31 V 7.92 4.84 2.11 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 0.84 0.00 0.00 0.94 0.00 0.00 32 D 8.28 4.55 0.00 2.88 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 33 G 8.84 4.57 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 34 T 8.74 4.95 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 1.36 0.00 0.00 35 R 8.78 4.32 0.00 1.86 1.97 0.00 3.22 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.45 0.00 36 D 8.13 4.62 0.00 2.84 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.66 3.48 0.00 1.92 1.92 0.00 3.35 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.28 0.00 38 S 7.95 4.47 0.00 3.98 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 39 D 7.61 4.47 0.00 2.78 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.38 4.75 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.17 2.09 0.00 41 H 8.96 4.81 0.00 3.33 3.31 0.00 5.79 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.59 4.39 1.87 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.46 1.04 0.00 0.00 43 Q 7.80 4.24 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 44 L 8.92 4.91 0.00 1.54 1.48 0.87 0.51 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 45 Q 8.78 4.87 0.00 2.13 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.72 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 46 L 8.94 5.46 0.00 1.84 1.85 0.98 1.07 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 47 S 8.27 4.58 0.00 3.86 3.96 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 48 A 7.78 4.23 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.14 4.34 0.00 1.50 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 2.04 2.20 0.00 50 S 7.07 4.39 0.00 3.83 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 51 V 8.34 3.88 2.29 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 0.91 0.00 0.00 1.00 0.00 0.00 52 G 9.21 4.02 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 0.00 53 E 7.74 5.05 0.00 1.86 1.72 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 2.19 2.27 0.00 54 V 8.96 4.89 2.14 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 0.95 0.00 0.00 1.24 0.00 0.00 55 Y 8.60 5.32 0.00 3.01 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 56 I 8.68 4.63 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 1.04 0.86 0.72 0.00 0.00 57 K 8.84 4.60 0.00 1.53 1.46 0.00 1.24 0.00 0.00 1.36 0.00 0.00 2.58 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.96 0.31 7.81 58 S 8.44 4.88 0.00 3.83 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 59 T 8.34 3.73 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 1.21 0.00 0.00 *61 T 7.24 4.43 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 1.22 0.00 0.00 62 G 7.15 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 63 Q 8.06 4.92 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.54 6.82 0.00 0.00 0.00 0.00 0.00 2.50 2.33 0.00 64 Y 9.03 5.09 0.00 2.79 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.69 4.43 0.00 1.71 1.52 0.83 0.31 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 66 A 8.46 4.92 0.70 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 0.00 0.00 67 M 8.35 5.43 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.69 0.00 68 D 9.43 5.17 0.00 2.88 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.51 4.14 4.35 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 70 D 8.24 4.59 0.00 2.89 2.64 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 71 G 8.50 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 0.00 0.00 0.00 72 L 9.03 4.92 0.00 1.81 1.62 0.90 -0.46 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 73 L 8.75 5.58 0.00 1.58 1.62 0.93 0.97 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 74 Y 8.15 4.82 0.00 3.04 3.03 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 0.00 0.00 0.00 0.00 75 G 8.90 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.02 4.95 0.00 3.92 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 77 Q 8.92 4.32 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.51 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 78 T 7.55 4.68 4.16 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 1.21 0.00 0.00 79 P 0.00 3.74 0.00 1.48 0.49 0.00 3.51 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.45 0.00 80 N 7.89 4.83 0.00 2.89 2.89 0.00 0.00 5.94 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 81 E 8.69 4.09 0.00 2.05 2.09 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 0.00 2.26 2.31 0.00 82 E 8.63 4.27 0.00 2.21 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 0.00 2.31 2.39 0.00 83 C 7.76 4.81 0.00 3.19 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 84 L 7.32 4.60 0.00 1.44 1.40 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.75 5.38 0.00 3.06 3.07 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 86 L 9.24 4.74 0.00 1.57 1.60 0.87 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 87 E 9.46 4.85 0.00 2.12 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 2.17 1.94 0.00 88 R 8.31 4.83 0.00 1.82 1.83 0.00 3.11 0.00 0.00 2.90 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 89 L 8.84 4.68 0.00 1.59 1.66 1.05 0.79 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 90 E 8.85 4.56 0.00 2.23 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 2.29 2.42 0.00 91 E 9.54 3.92 0.00 2.46 2.17 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 2.37 2.43 0.00 92 N 8.38 4.57 0.00 2.54 2.82 0.00 0.00 6.86 8.16 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 93 H 7.73 4.68 0.00 2.64 2.99 0.00 5.65 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.98 4.70 0.00 3.15 3.02 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 95 N 9.34 5.71 0.00 2.96 2.54 0.00 0.00 6.94 7.17 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 96 T 8.37 5.28 4.45 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 1.27 0.00 0.00 97 Y 8.69 5.27 0.00 2.80 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 98 I 8.61 4.87 1.79 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.65 0.61 0.00 0.00 99 S 8.75 4.24 0.00 4.09 3.96 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 0.00 100 K 8.79 4.00 0.00 1.79 1.63 0.00 1.61 0.00 0.00 1.48 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.31 7.81 101 K 7.88 3.86 0.00 1.59 1.57 0.00 1.81 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.12 1.40 7.81 102 H 7.86 5.38 0.00 3.04 2.22 0.00 5.70 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.88 3.93 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 0.00 104 E 8.14 3.99 0.00 2.08 2.21 0.00 0.00 0.00 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 2.20 0.00 105 K 7.49 4.09 0.00 0.99 1.45 0.00 1.54 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 1.05 7.81 106 N 7.61 3.76 0.00 2.92 2.88 0.00 0.00 6.92 7.15 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 0.00 107 W 7.62 4.85 0.00 3.24 3.03 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 0.00 0.00 0.00 0.00 108 F 8.76 5.38 0.00 2.97 3.08 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 0.00 109 V 8.57 4.38 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 0.76 0.00 0.00 0.71 0.00 0.00 110 G 8.50 4.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.16 5.28 0.00 1.35 1.42 1.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.90 4.29 0.00 1.90 1.66 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.46 7.81 113 K 8.38 4.08 0.00 1.70 1.84 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.42 7.81 114 N 8.07 4.60 0.00 2.79 2.89 0.00 0.00 6.24 7.00 0.00 0.00 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 G 8.19 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.82 5.06 0.00 3.90 3.95 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 0.00 117 C 8.57 4.77 0.00 2.88 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 0.00 118 K 8.19 4.53 0.00 1.66 1.69 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.33 7.81 119 R 8.46 4.22 0.00 1.74 1.63 0.00 3.18 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.49 0.00 120 G 7.99 3.29 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 0.00 121 P 0.00 4.32 0.00 1.97 2.24 0.00 3.08 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.03 0.00 122 R 7.86 4.28 0.00 1.91 1.94 0.00 3.30 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 123 T 7.91 4.80 4.38 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 0.00 0.00 0.00 1.25 0.00 0.00 124 H 8.03 4.79 0.00 3.36 3.50 0.00 5.47 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.53 4.04 0.00 3.11 2.90 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 G 9.05 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 0.00 127 Q 7.53 4.44 0.00 1.91 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.76 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 128 K 8.22 3.87 0.00 1.66 1.63 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.74 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.32 7.81 129 A 7.78 3.79 1.25 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 0.00 0.00 130 I 7.15 4.48 1.65 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.13 0.67 0.00 0.00 131 L 7.25 4.23 0.00 0.94 0.69 0.51 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.42 5.29 0.00 3.32 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 9.02 4.97 0.00 2.07 1.81 0.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.84 0.00 2.18 2.19 0.00 3.92 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 2.05 2.08 0.00 135 L 8.64 4.86 0.00 1.74 1.65 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.65 0.00 1.93 1.97 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 137 V 8.19 3.84 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 0.71 0.00 0.00 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.