NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -7 H 4.5933 8.4449 120.3831 56.5008 29.6927 172.2007 -6 H 4.5529 8.1933 123.8860 53.3756 28.0159 172.2441 -5 H 4.6050 8.2249 120.7146 55.8538 33.6081 172.3367 -4 H 4.5369 8.5517 127.1817 55.3989 29.4868 174.0096 -3 H 4.4535 8.6501 125.4836 55.3329 29.2497 174.7614 -2 H 4.8811 8.0489 118.9593 53.5770 31.3974 173.0314 -1 S 4.7027 8.4156 116.2445 58.3810 64.6157 171.6442 0 H 4.7311 8.8261 117.7031 54.7969 32.9661 173.0372 -5 K 4.1950 8.0949 122.9146 57.0538 37.7081 174.8367 -4 S 4.2769 8.4417 124.6817 58.6989 64.2868 174.5096 -3 K 4.0435 8.5201 127.6836 56.5329 33.3497 177.2614 -2 F 4.7711 7.9289 121.0593 56.2770 41.9974 174.7314 -1 E 4.5827 8.5256 120.7445 56.6810 30.7157 173.6442 0 A 4.3211 8.6461 123.3031 52.2969 23.0661 176.7372 8 S 4.1937 7.6956 112.4773 60.9412 63.2986 176.2454 9 I 3.7246 7.3720 116.0645 63.2342 36.9194 177.4837 10 D 4.3747 8.0677 120.8613 57.3446 40.4280 177.3518 11 N 4.6921 7.9550 114.3734 54.1405 39.0581 175.9822 12 L 4.5562 7.6305 120.4893 54.3712 41.9688 178.1947 13 K 3.9342 7.7303 121.1452 59.5091 32.0679 178.2949 14 E 4.3618 7.9698 112.2420 55.8304 30.2951 180.3413 15 I 4.2025 7.4006 119.6774 61.3837 37.8797 175.6212 16 E 4.2825 8.4725 125.1015 55.4123 30.7828 175.8889 *18 N 4.5739 8.2554 118.1092 52.8146 39.7802 175.3737 19 A 4.1228 8.3704 122.0074 54.8336 18.5388 179.4404 20 Y 4.0483 8.2301 118.0180 60.9416 39.0817 177.7905 21 A 3.7825 8.9033 122.1183 55.1830 18.3537 179.0365 22 Y 4.0096 7.8337 118.0349 61.0577 38.9209 178.1498 23 E 3.9065 8.5695 119.6881 59.0829 29.4072 178.9495 24 L 3.7510 7.7135 120.5722 58.0402 42.0090 179.1942 25 I 3.6492 7.1159 118.0862 64.3490 37.0882 178.4157 26 R 3.8576 7.6780 118.2359 58.3272 29.9679 177.2526 27 E 4.5363 8.1255 114.8883 55.9565 30.9557 175.4235 28 I 4.2558 7.2304 117.4019 62.8757 40.0013 177.7834 29 V 3.5203 8.0940 119.3955 66.1234 31.6632 177.5923 30 L 4.1946 7.8722 118.4076 57.3312 41.7034 177.0858 31 P 3.9613 0.0000 0.0000 65.6804 31.2391 178.1017 32 D 4.4631 7.8271 114.2927 55.5320 40.4728 177.1479 *34 L 4.3748 7.9325 121.1578 53.1064 44.8443 178.5399 35 G 3.8431 7.8986 107.9330 46.3730 0.0000 177.1872 36 Q 4.1137 8.8548 122.1310 58.0691 28.5326 176.3956 37 D 4.6842 8.0057 117.8111 54.3386 41.5985 177.3762 38 Y 4.0694 7.9494 121.3411 60.8795 38.9259 177.6162 39 S 4.0806 8.2423 112.2338 61.5562 63.0084 175.7729 40 S 3.9384 7.1460 118.4055 58.5799 60.1689 173.8284 *43 Y 4.6418 7.9099 124.7944 57.2420 40.6284 177.3510 44 W 4.2394 7.8038 118.8964 59.3994 28.9228 178.5139 45 A 4.1220 8.0868 120.7580 54.8882 17.8300 179.6949 46 G 3.5563 7.9056 103.8970 47.9376 0.0000 175.9814 47 K 3.9352 7.6540 120.5641 59.4757 31.9144 179.2024 48 H 4.3304 8.5179 116.9390 58.8276 28.6022 177.6611 49 L 4.2951 8.4795 122.2176 58.1029 41.7538 178.6661 50 A 3.8648 8.0057 119.8576 55.4314 18.2871 179.6048 51 R 4.0006 7.7251 114.9207 59.0916 30.1505 178.9386 52 K 4.5366 7.6730 116.0376 57.4094 33.5464 177.3226 53 F 4.8753 8.1135 116.7118 55.4733 38.9922 173.7428 54 P 4.5375 0.0000 0.0000 62.7299 32.3553 176.5564 55 L 4.7889 8.2380 120.6436 53.2422 44.2193 175.8732 56 E 4.4183 9.3596 117.9364 57.5000 30.8746 176.3224 57 S 4.5484 7.5905 111.7207 55.1144 66.2156 174.7000 58 W 3.3154 8.4670 121.0491 59.6585 28.4792 178.1738 59 E 4.0367 8.1920 117.7355 58.8528 29.4217 177.7810 60 E 4.3105 7.9819 117.2992 57.5389 29.6601 178.5383 61 F 4.7614 8.0056 119.1745 60.2703 38.9762 175.5123 62 P 4.1934 0.0000 0.0000 65.6086 31.2198 178.4614 63 A 4.0212 8.1011 119.0031 55.0722 18.3161 179.2178 64 F 3.8180 8.3271 118.7199 61.4481 39.4571 177.2918 65 F 3.7737 8.8424 117.5441 60.4394 38.2791 177.3054 66 E 3.9864 8.4168 118.8598 59.4167 29.3005 178.5276 67 E 3.8137 7.8335 117.6115 58.8256 29.7260 177.7637 68 A 3.6686 7.1646 118.2085 51.5052 18.3229 177.7910 69 G 3.5632 7.2399 105.1875 45.9785 0.0000 175.0912 70 W 4.5349 7.9192 119.7001 56.2845 29.4400 174.9745 71 G 3.7390 8.0263 102.7219 44.1423 0.0000 172.7148 72 T 4.5528 8.9423 116.3385 61.7344 69.5872 174.3204 73 L 5.1722 8.6152 129.8307 53.6443 43.4049 175.3201 74 T 4.7737 8.9079 117.6167 59.7931 71.5803 172.9181 75 N 4.8568 8.9899 124.2417 53.5130 39.0188 174.5375 76 V 4.1109 8.4760 126.5428 63.1556 33.2201 176.6715 77 S 4.5633 7.5841 114.3820 56.3359 66.0026 172.9099 78 A 4.7719 8.6366 127.4646 50.1442 20.1013 175.0075 79 K 4.5807 8.9539 120.8174 54.3311 35.2480 177.7421 80 K 4.1212 8.7559 120.7694 59.7235 32.1211 177.0548 81 Q 3.4921 7.4805 115.9079 54.3332 30.9000 174.5247 82 E 4.5342 7.4295 118.9841 55.0063 33.7225 173.6353 83 L 4.9781 9.1896 126.9522 52.7526 45.3222 175.0025 84 E 4.9532 8.6745 123.6710 54.3859 32.8333 174.3630 85 F 5.3735 9.3581 125.0307 55.7902 43.2216 174.0462 86 E 4.9314 9.2201 121.7132 55.4229 31.8272 175.1218 87 L 5.2961 8.7925 124.4842 53.5666 45.6289 175.1403 88 E 4.7660 8.7450 123.1374 55.4246 33.7754 173.9944 89 G 4.6637 8.7133 107.9623 42.9520 0.0000 171.9659 90 P 4.3689 0.0000 0.0000 65.9395 30.9847 178.8236 91 I 3.8243 7.7177 119.0584 64.2044 37.0775 178.2397 92 I 3.9160 7.8091 120.2122 64.6259 37.1639 178.4128 93 S 4.1470 8.6056 116.4414 61.7182 62.6967 176.3955 94 N 4.4185 8.2188 119.3479 56.5184 38.6195 177.2680 95 R 3.9734 8.1526 119.6351 59.3715 29.9948 179.0788 96 L 4.0425 8.0786 117.7390 57.5196 41.6152 179.2239 97 K 4.0650 7.8824 118.8415 58.8978 32.2910 177.1431 98 H 4.8663 7.9486 112.4938 55.4603 30.5323 174.1152 99 Q 4.6185 8.0313 119.4470 53.7666 30.5208 176.5469 100 K 3.8559 8.7298 123.3578 58.9648 32.3362 177.5348 101 E 4.5120 7.6782 119.4292 53.5840 30.0650 172.8513 102 P 4.6752 0.0000 0.0000 62.4684 32.1617 175.4385 103 C 4.8697 8.0850 119.8692 57.8246 33.8049 173.8172 104 F 5.0221 8.2823 125.0525 55.7798 40.0497 177.3352 105 Q 4.0899 8.1668 122.0750 58.5760 28.5453 177.5948 106 L 3.7143 7.5758 121.1650 58.1646 41.5821 178.7664 107 E 3.4682 7.6803 117.5914 59.0900 29.4644 179.0246 108 A 4.2077 8.2421 120.9249 55.2439 18.4394 179.9488 109 G 3.1440 8.4953 104.6764 47.5707 0.0000 175.5553 110 F 4.1898 8.2184 123.0727 61.2218 39.4645 177.3148 111 I 3.1746 8.0021 119.0061 64.0870 36.7377 178.1794 112 A 3.8854 7.9642 121.5716 55.2783 18.1277 179.3827 113 E 3.7560 8.2076 117.8768 59.2584 29.4488 178.8435 114 Q 3.8518 7.6188 117.2964 59.1290 28.8754 178.6332 115 I 3.9299 7.4461 119.2998 64.6152 37.1152 178.2415 116 Q 4.0127 7.4368 117.7807 58.4335 28.5300 179.1857 117 L 4.2512 7.6685 117.2229 54.2081 42.0401 176.8346 *119 N 4.3987 8.0455 118.0896 53.3064 38.6360 174.2046 120 D 4.6218 8.6219 124.4018 54.7149 39.6715 176.9767 121 Q 4.3705 8.2986 118.4252 56.3213 29.3239 175.7386 122 I 4.0713 7.5379 120.3625 60.6024 37.8130 174.1529 123 A 4.0008 9.0464 133.2461 53.3929 18.4179 177.6249 124 E 4.8160 8.5130 111.9158 53.3372 34.8369 177.9665 125 S 5.3978 8.3264 115.0572 56.8521 66.4633 172.7507 126 Y 4.8494 9.2525 117.5682 56.3317 41.6788 174.4960 127 E 5.3675 9.0288 121.9107 54.7270 33.1376 175.3064 128 Q 4.6382 9.4470 121.3832 54.0735 32.9720 174.5713 129 V 4.7137 8.5367 122.7205 61.1869 33.7724 174.1765 130 K 4.5974 8.9056 130.4337 54.5230 34.3620 175.0033 131 K 4.5825 8.6944 127.0718 55.9409 33.0973 176.5064 132 R 4.6575 8.4779 124.0845 53.9018 33.1872 175.6372 133 A 4.1181 8.8202 123.0750 56.0574 18.2745 179.0098 134 D 4.9417 7.6739 110.3188 52.0058 41.8030 176.3097 135 K 4.5116 7.4177 117.5461 57.5762 35.5428 174.1319 136 V 4.8112 8.2182 113.4708 59.4825 35.4240 174.9600 137 V 4.7107 8.6120 122.8151 61.2201 34.0715 174.1494 138 L 5.1153 9.1391 128.4848 53.4878 43.9342 175.5147 139 T 5.2391 9.1024 121.1932 61.5675 72.0486 173.3966 140 V 5.1869 9.0205 125.9810 59.8106 34.3520 174.8212 141 K 5.0038 9.3164 123.5085 55.1348 36.4346 174.7754 142 W 5.6419 8.0211 116.7783 55.7994 31.2748 174.9071 143 D 4.9441 8.9932 120.9407 54.0520 40.1669 177.2679 *145 K 4.1436 8.6224 125.0957 58.2239 32.8757 175.8272 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 -7 H 8.44 4.59 0.00 3.16 3.35 0.00 5.68 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 -6 H 8.19 4.55 0.00 3.27 3.26 0.00 5.79 0.00 0.00 0.00 0.00 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -5 H 8.22 4.60 0.00 2.92 3.05 0.00 5.74 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 H 8.55 4.54 0.00 3.10 3.17 0.00 5.79 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 H 8.65 4.45 0.00 3.12 3.20 0.00 5.91 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 H 8.05 4.88 0.00 3.15 3.01 0.00 5.52 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 S 8.42 4.70 0.00 4.06 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 H 8.83 4.73 0.00 3.24 3.27 0.00 5.49 0.00 0.00 0.00 0.00 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -5 K 8.09 4.19 0.00 1.47 1.64 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.42 7.81 -4 S 8.44 4.28 0.00 3.70 3.88 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 0.00 0.00 0.00 -3 K 8.52 4.04 0.00 1.67 1.79 0.00 0.61 0.00 0.00 1.76 0.00 0.00 2.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.48 7.81 -2 F 7.93 4.77 0.00 3.00 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 -1 E 8.53 4.58 0.00 2.23 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 0.00 2.36 2.22 0.00 0 A 8.65 4.32 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.70 4.19 0.00 4.01 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 0.00 9 I 7.37 3.72 1.76 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.77 0.44 0.00 0.00 10 D 8.07 4.37 0.00 2.68 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 11 N 7.95 4.69 0.00 2.80 2.84 0.00 0.00 6.94 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.63 4.56 0.00 1.79 1.65 0.90 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.73 3.93 0.00 1.74 1.82 0.00 1.64 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.47 7.81 14 E 7.97 4.36 0.00 1.98 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 2.17 1.89 0.00 15 I 7.40 4.20 1.98 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.97 0.92 0.00 0.00 16 E 8.47 4.28 0.00 1.94 1.87 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 2.27 2.34 0.00 *18 N 8.26 4.57 0.00 3.09 3.05 0.00 0.00 5.93 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 19 A 8.37 4.12 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.23 4.05 0.00 3.01 3.22 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 21 A 8.90 3.78 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 22 Y 7.83 4.01 0.00 2.97 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 23 E 8.57 3.91 0.00 2.00 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 2.65 2.54 0.00 24 L 7.71 3.75 0.00 1.44 1.59 0.74 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.12 3.65 1.75 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 1.45 0.94 0.81 0.00 0.00 26 R 7.68 3.86 0.00 1.21 1.63 0.00 3.10 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 27 E 8.13 4.54 0.00 1.95 1.82 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 2.16 2.70 0.00 28 I 7.23 4.26 1.98 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 1.22 0.88 0.89 0.00 0.00 29 V 8.09 3.52 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 0.72 0.00 0.00 0.92 0.00 0.00 30 L 7.87 4.19 0.00 2.00 1.99 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 3.96 0.00 1.86 1.41 0.00 3.54 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.49 0.00 32 D 7.83 4.46 0.00 2.89 2.70 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 *34 L 7.93 4.37 0.00 1.93 1.87 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.90 3.84 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 0.00 0.00 0.00 36 Q 8.85 4.11 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 37 D 8.01 4.68 0.00 2.81 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 38 Y 7.95 4.07 0.00 2.92 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 39 S 8.24 4.08 0.00 3.87 3.80 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 0.00 0.00 0.00 40 S 7.15 3.94 0.00 3.89 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 *43 Y 7.91 4.64 0.00 2.81 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 44 W 7.80 4.24 0.00 3.49 2.86 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 45 A 8.09 4.12 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 46 G 7.91 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.65 3.94 0.00 1.91 1.83 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.70 0.00 0.00 2.15 0.00 0.00 0.00 0.00 1.42 1.21 7.81 48 H 8.52 4.33 0.00 3.36 3.40 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.48 4.30 0.00 2.06 2.14 1.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.01 3.86 0.99 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 0.00 0.00 51 R 7.73 4.00 0.00 2.03 2.08 0.00 3.19 0.00 0.00 3.32 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 52 K 7.67 4.54 0.00 2.24 1.80 0.00 1.86 0.00 0.00 2.09 0.00 0.00 3.17 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.28 1.52 7.81 53 F 8.11 4.88 0.00 3.26 3.22 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 54 P 0.00 4.54 0.00 2.17 2.04 0.00 3.74 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 1.98 1.96 0.00 55 L 8.24 4.79 0.00 1.74 1.68 1.28 1.15 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 56 E 9.36 4.42 0.00 1.99 2.06 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 2.28 2.22 0.00 57 S 7.59 4.55 0.00 3.81 3.84 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 58 W 8.47 3.32 0.00 3.33 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 59 E 8.19 4.04 0.00 1.98 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 2.32 2.46 0.00 60 E 7.98 4.31 0.00 2.18 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 0.00 2.35 2.33 0.00 61 F 8.01 4.76 0.00 2.89 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.19 0.00 2.22 2.29 0.00 3.91 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 2.22 2.20 0.00 63 A 8.10 4.02 1.38 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 0.00 0.00 0.00 64 F 8.33 3.82 0.00 3.40 3.42 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 65 F 8.84 3.77 0.00 3.36 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 66 E 8.42 3.99 0.00 2.22 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 2.30 2.32 0.00 67 E 7.83 3.81 0.00 1.97 1.54 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 0.00 2.09 2.17 0.00 68 A 7.16 3.67 -0.40 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 0.00 0.00 69 G 7.24 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.92 4.53 0.00 3.22 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 71 G 8.03 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 0.00 0.00 0.00 72 T 8.94 4.55 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 1.25 0.00 0.00 73 L 8.62 5.17 0.00 1.43 1.38 0.46 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.91 4.77 4.30 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 1.26 0.00 0.00 75 N 8.99 4.86 0.00 2.90 2.82 0.00 0.00 7.04 7.71 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 76 V 8.48 4.11 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 0.75 0.00 0.00 0.89 0.00 0.00 77 S 7.58 4.56 0.00 3.77 3.54 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 0.00 0.00 0.00 0.00 78 A 8.64 4.77 1.29 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 79 K 8.95 4.58 0.00 1.68 1.66 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.29 7.81 80 K 8.76 4.12 0.00 1.77 1.88 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.58 1.59 7.81 81 Q 7.48 3.49 0.00 1.59 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 82 E 7.43 4.53 0.00 1.61 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.25 0.00 83 L 9.19 4.98 0.00 1.51 1.21 0.74 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.67 4.95 0.00 1.87 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 85 F 9.36 5.37 0.00 2.91 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 86 E 9.22 4.93 0.00 1.93 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 2.28 2.25 0.00 87 L 8.79 5.30 0.00 1.66 1.28 1.24 1.20 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 88 E 8.75 4.77 0.00 2.16 2.02 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 2.22 2.42 0.00 89 G 8.71 4.66 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 0.00 0.00 0.00 90 P 0.00 4.37 0.00 2.30 2.35 0.00 3.73 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 2.09 2.08 0.00 91 I 7.72 3.82 1.94 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.71 1.04 0.00 0.00 92 I 7.81 3.92 2.11 0.00 0.00 1.00 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 0.88 1.03 0.00 0.00 93 S 8.61 4.15 0.00 4.00 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 94 N 8.22 4.42 0.00 2.94 3.03 0.00 0.00 7.19 6.93 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 95 R 8.15 3.97 0.00 2.19 2.14 0.00 3.19 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.96 0.00 96 L 8.08 4.04 0.00 1.77 1.77 1.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.88 4.06 0.00 1.84 1.76 0.00 1.70 0.00 0.00 1.53 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.15 1.38 7.81 98 H 7.95 4.87 0.00 3.20 3.28 0.00 5.69 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 8.03 4.62 0.00 2.23 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 100 K 8.73 3.86 0.00 1.71 1.83 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.43 7.81 101 E 7.68 4.51 0.00 2.07 1.91 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 2.16 2.31 0.00 102 P 0.00 4.68 0.00 2.30 2.10 0.00 3.74 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 103 C 8.09 4.87 0.00 2.92 2.80 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 0.00 0.00 0.00 104 F 8.28 5.02 0.00 3.05 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 0.00 105 Q 8.17 4.09 0.00 1.93 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 106 L 7.58 3.71 0.00 1.41 1.16 0.81 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 107 E 7.68 3.47 0.00 2.30 2.20 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 2.41 1.47 0.00 108 A 8.24 4.21 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.50 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 0.00 0.00 0.00 110 F 8.22 4.19 0.00 3.25 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 0.00 111 I 8.00 3.17 1.82 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.95 0.70 0.00 0.00 112 A 7.96 3.89 1.40 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 0.00 0.00 113 E 8.21 3.76 0.00 1.96 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 2.48 2.29 0.00 114 Q 7.62 3.85 0.00 2.08 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.71 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 115 I 7.45 3.93 1.62 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.34 -0.11 0.00 0.00 116 Q 7.44 4.01 0.00 1.76 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.59 0.00 0.00 0.00 0.00 0.00 2.11 2.37 0.00 117 L 7.67 4.25 0.00 1.72 1.67 0.84 1.19 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 *119 N 8.05 4.40 0.00 2.75 2.75 0.00 0.00 6.84 8.49 0.00 0.00 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 D 8.62 4.62 0.00 2.86 2.82 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 0.00 121 Q 8.30 4.37 0.00 2.29 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.87 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 122 I 7.54 4.07 1.82 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.42 0.64 0.00 0.00 123 A 9.05 4.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.51 4.82 0.00 1.62 1.77 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 2.19 1.83 0.00 125 S 8.33 5.40 0.00 4.07 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 0.00 126 Y 9.25 4.85 0.00 2.90 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 0.00 127 E 9.03 5.37 0.00 1.85 1.90 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 2.35 2.47 0.00 128 Q 9.45 4.64 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 129 V 8.54 4.71 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 0.87 0.00 0.00 1.01 0.00 0.00 130 K 8.91 4.60 0.00 1.84 1.62 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.38 7.81 131 K 8.69 4.58 0.00 1.70 1.76 0.00 1.88 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.46 1.46 7.81 132 R 8.48 4.66 0.00 1.89 1.85 0.00 3.16 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 133 A 8.82 4.12 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 0.00 134 D 7.67 4.94 0.00 2.65 2.47 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 0.00 135 K 7.42 4.51 0.00 1.87 1.88 0.00 1.41 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 1.39 7.81 136 V 8.22 4.81 1.83 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 0.57 0.00 0.00 0.20 0.00 0.00 137 V 8.61 4.71 2.06 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 1.07 0.00 0.00 0.91 0.00 0.00 138 L 9.14 5.12 0.00 1.71 1.65 1.02 0.52 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 0.00 139 T 9.10 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 1.19 0.00 0.00 140 V 9.02 5.19 2.20 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 1.09 0.00 0.00 1.13 0.00 0.00 141 K 9.32 5.00 0.00 1.72 1.81 0.00 1.25 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.50 7.81 142 W 8.02 5.64 0.00 3.46 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 0.00 143 D 8.99 4.94 0.00 2.94 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 *145 K 8.62 4.14 0.00 1.92 1.89 0.00 1.78 0.00 0.00 1.97 0.00 0.00 3.26 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.49 7.81 * Residues marked with a * may have inaccurate shift predictions.