NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 3.8962 8.2993 120.1045 56.7728 33.2134 175.0702 4 T 4.2659 8.2362 113.2472 59.4268 69.0116 171.9802 5 Y 4.7601 7.5824 119.6130 57.0359 41.2877 174.5392 6 D 4.6445 8.9015 119.4425 55.1787 42.7089 176.8769 7 Y 4.9235 8.0288 114.0652 55.9081 42.6633 174.3218 8 L 4.9621 8.7804 123.4397 53.4723 44.5931 175.2737 9 F 5.3492 9.0017 125.9438 55.8275 41.8096 174.9017 10 K 5.0650 8.8548 123.0160 55.5710 33.6458 175.6746 11 L 5.4544 9.6085 124.8023 52.9227 45.9169 175.4216 12 L 5.2970 8.8943 121.4783 53.0189 45.1145 175.2888 13 L 5.1905 9.1695 123.2253 53.1242 44.2917 175.5753 14 I 4.4370 8.5796 123.9805 60.5176 40.8982 176.5876 15 G 4.4185 9.2516 109.8381 47.0310 0.0000 171.3040 16 D 5.0277 7.9550 117.6001 53.1040 45.1607 174.1040 17 S 4.5876 8.1464 111.6438 58.5119 65.3007 173.3789 18 G 4.2119 8.2946 110.5083 45.0425 0.0000 173.1407 19 V 3.4174 8.4691 117.3596 62.1364 32.3987 175.4242 *36 T 4.3333 8.1343 123.5441 62.9625 69.3907 175.3780 37 F 4.1981 9.1000 123.8228 63.0858 39.0572 178.0046 38 I 3.7024 7.7987 118.8467 63.8943 36.8138 178.2527 39 S 4.0834 7.6809 114.5549 61.5270 62.8360 176.4188 40 T 3.9407 7.6171 112.1503 64.4955 68.6887 176.3314 41 I 3.6676 7.0136 121.4310 62.4802 37.6514 177.5983 42 G 3.9506 7.6841 104.5093 45.6512 0.0000 172.8111 43 I 3.9585 7.7691 121.7899 60.4124 37.7977 175.3813 44 D 4.5592 8.1697 125.9952 55.8064 41.6768 175.8377 45 F 4.7830 6.5381 111.9153 55.4305 41.4023 172.5414 46 K 4.5814 8.5974 117.6249 54.5767 35.7373 175.4011 47 I 4.8643 8.2042 123.3711 59.8011 39.1403 175.3252 48 R 4.6620 8.8192 124.7471 54.6209 34.5228 174.1776 49 T 5.0907 8.4502 118.3936 61.7567 70.9639 173.4327 50 I 4.8580 8.6999 119.0766 58.8972 41.6710 173.7519 51 E 5.2854 8.8293 119.6736 54.5827 32.2797 175.3628 52 L 4.7546 8.6517 121.9280 54.2747 45.0989 176.5468 53 D 4.4587 9.9403 123.9511 55.5174 38.3315 174.9106 54 G 3.9905 8.4274 104.8453 45.5327 0.0000 173.9372 55 K 4.6429 8.0412 120.3291 54.9652 33.7703 175.7009 56 R 4.6795 8.9770 122.7267 55.7442 31.4387 175.3800 57 I 4.7130 9.2410 126.7972 59.2979 39.6487 174.7072 58 K 4.4597 8.7409 129.5987 55.3468 33.7065 175.1984 59 L 5.1144 8.8243 127.2947 52.9309 45.1132 175.0350 60 Q 4.5864 9.0479 126.0338 54.5009 30.9045 174.1357 61 I 4.9772 8.4315 128.3898 59.3517 40.2833 174.6360 62 W 4.8521 9.2721 127.8370 55.1058 31.0105 174.8015 63 D 5.1116 8.7075 124.2989 53.1397 42.3492 175.4198 64 T 4.4680 8.5023 127.2875 63.1740 70.6282 174.4104 *74 T 4.2694 8.5645 110.9347 62.7021 70.9572 174.5033 75 T 4.5366 7.4664 113.0012 60.0807 69.4193 175.1961 76 A 3.8110 8.0626 121.8439 55.6477 17.8009 177.8286 77 Y 4.7567 7.4012 111.5072 54.9315 39.1019 177.5981 78 Y 4.3932 7.9205 120.7254 61.6985 37.8961 176.7865 79 R 4.0944 7.6987 120.7455 58.1277 30.5548 175.2271 80 G 4.1168 9.3874 115.4797 45.9884 0.0000 174.0204 81 A 4.1708 7.1600 121.1592 52.9090 18.6643 176.9543 82 M 4.5217 9.4053 119.5861 55.4252 33.2674 175.9084 83 G 4.3258 7.7904 106.1450 45.0862 0.0000 171.9528 84 I 5.0917 8.7849 123.4154 59.4646 41.0819 174.0257 85 M 4.6367 9.0659 128.1956 54.2359 33.6961 174.6867 86 L 4.9705 9.2153 127.7738 53.4463 43.3833 175.7558 87 V 5.0581 8.8090 125.1539 61.4628 34.4161 173.9708 88 Y 5.1822 8.6749 123.0691 55.9313 42.2221 172.8172 89 D 5.2760 9.0589 120.9053 52.8431 42.2947 177.4401 90 I 4.0832 8.8223 120.2789 63.5107 37.8629 177.8881 91 T 4.2811 7.9764 116.0834 64.0615 68.4986 173.8796 92 N 5.1017 8.2716 120.4369 50.8926 41.3368 174.4621 93 E 4.0974 9.0617 126.7824 59.2232 29.8289 178.6211 94 K 4.5846 8.4037 120.9622 58.8999 32.1225 178.7754 95 S 4.3074 8.0050 114.0173 61.1482 62.9623 176.3455 96 F 3.7866 8.2663 123.7774 61.1816 39.2952 176.3869 97 D 4.2540 8.2155 118.4970 57.7609 40.4114 178.9662 98 N 4.3839 7.8447 115.0877 56.2483 38.8736 177.3190 99 I 4.0695 7.6276 121.3559 64.4292 37.0047 178.1879 100 R 3.6388 7.6883 118.6934 59.7225 28.4797 177.9655 101 N 4.4352 8.1590 115.6138 55.4965 38.6367 177.5838 102 W 4.4186 8.1011 120.9400 59.6518 29.1229 178.5203 103 I 3.6350 7.7391 119.3767 64.2389 36.0920 178.1527 104 R 3.9167 7.9637 118.4879 59.6934 29.7794 178.4225 105 N 4.1999 7.6251 115.4855 56.4126 38.8386 177.0502 106 I 3.3551 7.6858 121.3519 63.7533 36.9138 177.5295 107 E 3.8715 7.6773 119.3929 59.4041 29.4912 178.6549 108 E 4.0089 7.3197 115.5245 59.7453 29.9945 178.1465 109 H 4.5343 7.5512 115.2169 55.3241 29.3958 175.2217 110 A 4.5854 6.9445 122.8411 49.6000 21.1590 176.3053 111 S 4.2407 8.2796 114.0706 58.0909 63.0379 174.5285 112 A 4.1460 8.4082 126.7379 54.2167 18.5798 177.3941 113 D 4.7682 7.8043 115.3955 54.5774 41.6041 176.0649 114 V 4.4185 7.4652 117.5485 60.6274 33.8893 175.0182 115 E 4.2472 8.6073 128.0548 56.4593 30.4820 176.1727 116 K 5.1564 8.4547 121.3328 55.1412 36.3479 175.1370 117 M 4.9848 8.8070 120.6093 54.4468 36.3750 173.3105 118 I 4.9892 8.9726 126.2355 59.5545 40.0581 174.2085 119 L 4.7774 9.5035 129.5325 53.0770 44.9353 174.9815 120 G 3.3411 8.4781 114.3502 44.2087 0.0000 171.4897 121 N 5.0211 9.1149 125.7426 53.0503 41.3941 175.7248 122 K 4.1695 8.4640 124.6576 55.5332 31.3370 175.5526 *125 V 4.2120 8.1667 116.7170 63.4118 32.8247 176.1953 126 N 4.8961 7.9383 111.0671 52.9430 41.9341 173.6308 127 D 4.5455 8.0822 118.5139 52.8881 40.3160 174.7882 128 K 3.6208 8.4968 123.8059 56.2515 28.8404 173.5151 129 R 4.3578 8.2878 121.4012 56.5248 30.2846 176.2623 130 Q 4.5444 8.8294 123.7199 55.5647 29.8780 175.7470 131 V 4.2519 7.4495 117.7691 60.6426 34.2071 175.0324 132 S 4.3885 8.3032 121.5283 57.5002 64.1811 174.9047 133 K 3.9430 8.7040 122.8366 59.6544 31.7341 178.5302 134 E 4.2647 8.0098 120.4137 58.8895 29.5874 178.8186 135 R 3.9407 7.5565 117.8388 59.2295 30.0117 179.4183 136 G 3.4295 7.5956 104.8224 47.5836 0.0000 175.2878 137 E 3.5088 7.2391 121.2537 59.1724 29.5275 179.9053 138 K 4.0304 8.0722 118.2253 59.0651 31.8209 179.3061 139 L 4.0527 7.6849 119.5048 57.9963 42.3532 178.4477 140 A 4.3045 8.2171 120.8002 55.2940 18.4622 179.2217 141 L 3.9308 8.1881 118.9048 58.6016 41.8896 178.8472 142 D 4.2763 7.9976 117.6404 56.6730 40.7449 177.4257 143 Y 4.5845 7.8361 113.9418 56.3689 39.1107 175.5005 144 G 3.9130 8.0916 107.6048 46.9312 0.0000 173.4702 145 I 4.7602 7.6434 110.4871 58.2236 41.1697 175.3359 146 K 4.4025 8.5445 121.7781 56.4373 33.2722 175.8803 147 F 5.5116 8.7554 124.4154 56.9274 42.5907 173.7161 148 M 4.4999 7.7225 122.5563 53.8231 36.0859 172.9850 149 E 5.3926 8.4037 124.5672 53.2482 32.6211 175.5464 150 T 3.9951 8.4574 117.2501 61.4120 70.5284 174.2562 151 S 3.6075 9.2141 114.5325 58.7039 61.3711 170.1998 152 A 4.5300 7.9871 129.4933 54.9463 26.2293 178.6077 *156 I 4.1048 7.6465 111.1969 59.1950 37.4804 175.7344 157 N 5.1311 7.4210 117.3567 52.2382 43.2251 174.9804 158 V 3.6825 8.1908 121.6054 65.9895 31.5179 177.5698 159 E 4.1707 8.4589 118.4862 59.5836 29.4974 178.1705 160 N 4.3299 8.3676 115.7970 56.3437 38.5831 176.9537 161 A 3.9383 7.8150 121.8345 55.3673 18.4886 179.7517 162 F 3.9388 8.3210 116.0632 60.6604 38.8476 177.9522 163 F 4.0308 8.7875 117.5694 60.6724 38.6782 177.9347 164 T 3.8950 7.9123 115.4426 66.5984 68.4131 176.4267 165 L 3.8855 7.9571 122.0060 58.1380 42.0230 179.0125 166 A 4.0649 8.2261 120.6101 55.1903 18.4072 179.3287 167 R 3.8714 8.3143 117.6680 60.0523 29.9508 178.4470 168 D 4.4472 8.2226 118.2872 57.1186 40.8688 178.8554 169 I 3.5336 7.5391 120.4865 63.7980 36.9153 178.2976 170 K 3.8755 8.4238 120.6943 59.3551 32.1662 178.6590 171 A 3.9422 8.4995 121.3710 55.1418 18.3024 179.4209 172 K 3.7705 7.7207 117.8865 59.9565 31.9519 178.9474 173 M 3.9480 7.5804 117.7851 58.4449 32.0419 178.2517 174 D 4.5772 8.2405 118.2367 56.9432 41.0016 178.3030 175 K 4.1247 7.6675 119.1767 59.5649 32.4776 177.7171 176 N 3.9669 8.0947 116.9784 55.4253 37.7782 175.9403 177 W 4.6582 7.3038 125.9390 58.1438 30.4123 176.8250 178 K 4.2762 7.5396 123.1196 56.4932 32.0831 175.7890 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 3 K 8.30 3.90 0.00 1.52 1.60 0.00 1.48 0.00 0.00 1.54 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.84 1.20 7.81 4 T 8.24 4.27 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 1.24 0.00 0.00 5 Y 7.58 4.76 0.00 3.20 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 6 D 8.90 4.64 0.00 2.63 2.45 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 7 Y 8.03 4.92 0.00 2.40 2.35 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 0.00 8 L 8.78 4.96 0.00 1.60 1.67 0.79 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 9 F 9.00 5.35 0.00 2.97 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 10 K 8.85 5.07 0.00 1.86 2.04 0.00 1.71 0.00 0.00 1.92 0.00 0.00 3.15 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.74 1.62 7.81 11 L 9.61 5.45 0.00 1.67 1.69 1.19 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.89 5.30 0.00 1.58 1.51 0.93 0.37 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 13 L 9.17 5.19 0.00 1.72 1.63 1.05 1.07 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 14 I 8.58 4.44 1.44 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.44 -0.63 0.00 0.00 15 G 9.25 4.42 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 0.00 16 D 7.96 5.03 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 17 S 8.15 4.59 0.00 3.95 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 18 G 8.29 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 19 V 8.47 3.42 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 0.74 0.00 0.00 0.94 0.00 0.00 *36 T 8.13 4.33 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 1.26 0.00 0.00 37 F 9.10 4.20 0.00 3.06 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 38 I 7.80 3.70 1.87 0.00 0.00 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 1.79 0.84 0.86 0.00 0.00 39 S 7.68 4.08 0.00 4.04 4.03 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 40 T 7.62 3.94 4.15 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 0.00 0.00 0.00 1.25 0.00 0.00 41 I 7.01 3.67 1.55 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.06 0.76 0.00 0.00 42 G 7.68 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 0.00 0.00 0.00 43 I 7.77 3.96 1.81 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.79 0.76 0.00 0.00 44 D 8.17 4.56 0.00 2.58 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 0.00 0.00 0.00 0.00 45 F 6.54 4.78 0.00 2.03 1.51 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.60 4.58 0.00 1.54 1.55 0.00 1.50 0.00 0.00 1.53 0.00 0.00 2.73 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.18 1.22 7.81 47 I 8.20 4.86 1.81 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 1.25 0.64 0.78 0.00 0.00 48 R 8.82 4.66 0.00 1.53 1.61 0.00 2.80 0.00 0.00 2.99 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.41 0.00 49 T 8.45 5.09 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 1.22 0.00 0.00 50 I 8.70 4.86 1.34 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.72 0.51 0.00 0.00 51 E 8.83 5.29 0.00 2.07 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 2.24 2.38 0.00 52 L 8.65 4.75 0.00 1.67 1.60 0.93 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 53 D 9.94 4.46 0.00 2.84 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 54 G 8.43 3.99 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 0.00 55 K 8.04 4.64 0.00 2.22 1.93 0.00 1.64 0.00 0.00 1.77 0.00 0.00 3.14 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.92 1.82 7.81 56 R 8.98 4.68 0.00 1.86 1.94 0.00 3.11 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 57 I 9.24 4.71 1.64 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.88 0.23 0.00 0.00 58 K 8.74 4.46 0.00 1.23 1.16 0.00 1.18 0.00 0.00 1.05 0.00 0.00 2.72 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.63 1.09 7.81 59 L 8.82 5.11 0.00 1.42 1.46 0.80 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 9.05 4.59 0.00 1.87 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.74 0.00 0.00 0.00 0.00 0.00 1.16 1.55 0.00 61 I 8.43 4.98 1.70 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 1.19 0.51 0.88 0.00 0.00 62 W 9.27 4.85 0.00 2.98 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 63 D 8.71 5.11 0.00 2.64 2.54 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 64 T 8.50 4.47 4.18 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 0.00 0.00 1.29 0.00 0.00 *74 T 8.56 4.27 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 1.17 0.00 0.00 75 T 7.47 4.54 4.33 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 1.29 0.00 0.00 76 A 8.06 3.81 0.75 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 0.00 0.00 77 Y 7.40 4.76 0.00 2.26 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.92 4.39 0.00 2.95 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 79 R 7.70 4.09 0.00 1.95 1.97 0.00 3.22 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 80 G 9.39 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 81 A 7.16 4.17 1.37 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 0.00 0.00 82 M 9.41 4.52 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.79 0.00 83 G 7.79 4.33 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 0.00 84 I 8.78 5.09 1.88 0.00 0.00 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 1.19 1.08 0.90 0.00 0.00 85 M 9.07 4.64 0.00 2.01 1.55 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.00 0.00 86 L 9.22 4.97 0.00 1.74 1.64 0.91 0.72 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 87 V 8.81 5.06 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 0.97 0.00 0.00 0.92 0.00 0.00 88 Y 8.67 5.18 0.00 3.27 3.19 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 89 D 9.06 5.28 0.00 2.90 2.69 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 0.00 0.00 0.00 90 I 8.82 4.08 1.95 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 1.41 0.45 1.02 0.00 0.00 91 T 7.98 4.28 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 1.32 0.00 0.00 92 N 8.27 5.10 0.00 2.81 2.73 0.00 0.00 6.65 7.23 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 93 E 9.06 4.10 0.00 2.11 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 2.39 2.40 0.00 94 K 8.40 4.58 0.00 1.96 1.85 0.00 1.93 0.00 0.00 1.86 0.00 0.00 3.09 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.46 7.81 95 S 8.00 4.31 0.00 4.32 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 0.00 96 F 8.27 3.79 0.00 2.79 3.18 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 0.00 0.00 0.00 97 D 8.22 4.25 0.00 2.91 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 98 N 7.84 4.38 0.00 2.96 3.07 0.00 0.00 7.11 7.02 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 99 I 7.63 4.07 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.39 0.95 0.00 0.00 100 R 7.69 3.64 0.00 1.12 1.86 0.00 3.20 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.44 0.00 101 N 8.16 4.44 0.00 2.78 2.65 0.00 0.00 7.05 7.47 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 0.00 102 W 8.10 4.42 0.00 3.59 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 0.00 103 I 7.74 3.64 1.10 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.20 0.33 0.00 0.00 104 R 7.96 3.92 0.00 1.98 1.98 0.00 3.10 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.73 0.00 105 N 7.63 4.20 0.00 2.83 3.15 0.00 0.00 7.30 7.70 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 0.00 106 I 7.69 3.36 1.98 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.89 0.83 0.00 0.00 107 E 7.68 3.87 0.00 1.96 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 0.00 2.37 2.38 0.00 108 E 7.32 4.01 0.00 1.84 1.95 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 2.20 1.77 0.00 109 H 7.55 4.53 0.00 3.02 3.34 0.00 5.62 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 6.94 4.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 S 8.28 4.24 0.00 3.85 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 0.00 112 A 8.41 4.15 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 0.00 113 D 7.80 4.77 0.00 2.65 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 0.00 114 V 7.47 4.42 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 0.90 0.00 0.00 1.06 0.00 0.00 115 E 8.61 4.25 0.00 1.81 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 2.23 2.33 0.00 116 K 8.45 5.16 0.00 1.58 1.65 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.38 7.81 117 M 8.81 4.98 0.00 1.94 1.77 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.41 0.00 118 I 8.97 4.99 2.23 0.00 0.00 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 1.24 0.69 1.46 0.00 0.00 119 L 9.50 4.78 0.00 1.51 1.36 0.84 0.12 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 0.00 120 G 8.48 3.34 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 0.00 121 N 9.11 5.02 0.00 2.68 2.59 0.00 0.00 6.93 5.12 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 0.00 122 K 8.46 4.17 0.00 2.07 2.08 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.33 7.81 *125 V 8.17 4.21 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 0.82 0.00 0.00 0.93 0.00 0.00 126 N 7.94 4.90 0.00 2.80 2.85 0.00 0.00 5.93 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 0.00 127 D 8.08 4.55 0.00 2.69 2.69 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 0.00 0.00 0.00 128 K 8.50 3.62 0.00 1.96 1.83 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.41 7.81 129 R 8.29 4.36 0.00 1.78 1.86 0.00 3.21 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 130 Q 8.83 4.54 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.37 0.00 0.00 0.00 0.00 0.00 2.32 2.55 0.00 131 V 7.45 4.25 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 0.18 0.00 0.00 0.87 0.00 0.00 132 S 8.30 4.39 0.00 4.00 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 0.00 133 K 8.70 3.94 0.00 1.91 1.89 0.00 1.82 0.00 0.00 1.89 0.00 0.00 3.24 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.78 1.80 7.81 134 E 8.01 4.26 0.00 2.02 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 2.32 2.22 0.00 135 R 7.56 3.94 0.00 1.56 1.54 0.00 3.07 0.00 0.00 2.89 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 136 G 7.60 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.24 3.51 0.00 1.97 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 2.26 1.89 0.00 138 K 8.07 4.03 0.00 1.75 1.84 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.55 7.81 139 L 7.68 4.05 0.00 1.87 2.07 1.11 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.22 4.30 1.66 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 0.00 141 L 8.19 3.93 0.00 1.90 1.81 0.93 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 142 D 8.00 4.28 0.00 2.66 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 0.00 0.00 0.00 143 Y 7.84 4.58 0.00 2.97 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 0.00 144 G 8.09 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 0.00 0.00 0.00 145 I 7.64 4.76 2.11 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.88 1.02 0.00 0.00 146 K 8.54 4.40 0.00 1.75 1.79 0.00 1.60 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.45 7.81 147 F 8.76 5.51 0.00 3.06 2.94 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 M 7.72 4.50 0.00 1.83 1.63 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 149 E 8.40 5.39 0.00 1.88 1.74 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 2.14 2.24 0.00 150 T 8.46 4.00 4.37 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 1.13 0.00 0.00 151 S 9.21 3.61 0.00 4.04 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 0.00 152 A 7.99 4.53 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 *156 I 7.65 4.10 1.87 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 1.30 0.71 0.91 0.00 0.00 157 N 7.42 5.13 0.00 2.69 2.65 0.00 0.00 6.77 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 0.00 158 V 8.19 3.68 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 1.22 0.00 0.00 0.97 0.00 0.00 159 E 8.46 4.17 0.00 2.17 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 0.00 2.81 2.68 0.00 160 N 8.37 4.33 0.00 2.87 2.84 0.00 0.00 6.96 7.05 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 0.00 161 A 7.81 3.94 1.24 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 0.00 0.00 162 F 8.32 3.94 0.00 3.41 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 0.00 163 F 8.79 4.03 0.00 3.23 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 0.00 164 T 7.91 3.90 4.40 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 1.21 0.00 0.00 165 L 7.96 3.89 0.00 1.62 1.75 0.85 0.99 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 0.00 166 A 8.23 4.06 1.44 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 0.00 0.00 167 R 8.31 3.87 0.00 2.06 2.15 0.00 3.13 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 168 D 8.22 4.45 0.00 2.82 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 0.00 169 I 7.54 3.53 1.17 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.05 -0.12 0.00 0.00 170 K 8.42 3.88 0.00 1.87 1.97 0.00 1.13 0.00 0.00 1.52 0.00 0.00 2.95 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.43 0.83 7.81 171 A 8.50 3.94 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 0.00 172 K 7.72 3.77 0.00 1.73 1.95 0.00 1.46 0.00 0.00 1.53 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.36 7.81 173 M 7.58 3.95 0.00 2.34 2.38 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.67 0.00 174 D 8.24 4.58 0.00 2.68 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 0.00 175 K 7.67 4.12 0.00 1.74 1.88 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.42 7.81 176 N 8.09 3.97 0.00 1.88 1.42 0.00 0.00 7.01 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 0.00 177 W 7.30 4.66 0.00 3.32 3.15 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 0.00 0.00 0.00 0.00 178 K 7.54 4.28 0.00 2.02 1.72 0.00 1.84 0.00 0.00 1.88 0.00 0.00 3.28 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.57 7.81 * Residues marked with a * may have inaccurate shift predictions.