NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5297 8.1933 116.8041 58.3916 64.6307 174.6660 3 Q 3.9687 8.6319 124.0025 57.1400 28.5533 177.3651 4 S 4.1248 8.8403 116.2416 61.6612 63.5124 175.9182 5 N 4.3879 8.2264 119.6621 55.9529 38.2541 177.2157 6 R 3.9966 7.7014 118.9379 59.2545 30.1691 178.2190 7 E 3.8714 8.2862 119.3724 58.9285 29.5152 178.7612 8 L 3.8376 8.1363 119.3987 57.6727 41.6944 179.4648 9 V 3.9292 7.9298 118.0704 66.4106 31.5467 178.3107 10 V 3.4840 8.0239 117.9874 65.6984 31.2350 177.5285 11 D 4.2127 8.1392 117.9324 57.1900 41.0802 177.9001 12 F 4.1453 8.5709 121.4454 61.3126 39.3385 176.8630 13 L 4.1032 8.3671 118.4824 58.1128 41.5508 179.4261 14 S 4.3184 8.1821 114.8846 62.0554 62.8357 176.1074 15 Y 4.2372 8.1050 121.8018 61.0413 38.3286 178.6554 16 K 3.6127 8.0364 119.1380 59.0338 31.9794 179.3956 17 L 4.0500 8.2451 119.6395 58.0620 41.7760 179.1894 18 S 4.4016 7.9611 114.2585 61.1161 61.9145 176.2500 19 Q 3.8799 7.4617 120.6627 58.3437 28.8009 177.1489 20 K 4.3301 7.4168 117.1408 55.9027 32.3237 177.4296 21 G 3.6719 7.7139 107.3308 45.4620 0.0000 172.9661 22 Y 5.0047 8.2902 119.4053 55.9812 39.5847 174.5043 23 S 4.9785 8.2576 112.7092 56.5267 66.1711 174.4159 24 W 4.5549 9.2458 132.7700 60.3064 30.6071 176.1112 25 S 3.9784 7.7598 109.4662 59.3221 64.0944 174.7901 *70 G 3.6420 7.8596 114.5449 44.7607 0.0000 171.3674 71 H 4.8574 8.4467 122.3338 53.5533 32.3953 173.8152 72 S 4.7740 8.4451 118.3946 56.1614 65.1977 173.9843 73 S 4.2601 8.3348 117.1087 58.3692 62.8240 174.8488 74 S 4.4107 8.3707 117.6418 57.9176 63.6394 175.2536 75 L 4.0320 8.4896 121.4565 57.9246 41.4511 178.8500 76 D 4.4041 8.1052 116.4430 55.5560 39.5565 176.6962 77 A 4.0662 7.3226 122.1239 52.6033 18.9630 177.4115 78 R 4.0435 8.7389 122.5830 58.6757 30.5670 176.4174 79 E 4.9052 8.0617 115.1820 55.1043 30.5634 175.6583 80 V 4.1945 8.9225 122.8377 62.3305 32.8127 175.1075 81 I 4.1227 8.0229 120.4949 59.6896 38.6852 173.4996 82 P 4.3422 0.0000 0.0000 62.7898 32.0016 176.5905 83 M 3.7556 8.9867 121.5484 59.1156 32.0350 178.1888 84 A 4.0121 8.1318 119.7778 55.0173 18.5449 178.9305 85 A 4.1735 8.2619 119.0447 54.1371 19.0357 179.9676 86 V 3.6132 7.5490 116.6490 66.1938 31.6601 178.0813 87 K 3.7768 8.2637 118.6178 59.5180 32.0183 179.0785 88 Q 3.8313 8.0980 119.4196 59.2155 29.0276 178.2434 89 A 4.1075 8.0107 121.4625 54.7555 18.3277 179.3629 90 L 4.1189 8.0130 119.0677 58.0348 42.1534 178.7932 91 R 4.0900 8.3102 118.6009 59.8119 29.9465 178.8067 92 E 4.0829 8.2420 117.2752 59.4136 29.5049 179.3404 93 A 4.4113 8.5032 121.0964 55.2109 18.4017 179.9848 94 G 4.1410 9.1056 104.8573 48.0805 0.0000 175.7202 95 D 4.5786 8.8372 121.5200 57.4620 41.0490 178.7661 96 E 4.1006 8.8269 119.4355 59.2975 29.4894 179.2459 97 F 4.2124 9.1026 121.1539 61.4765 39.3782 176.6427 98 E 4.2104 8.8168 117.8413 59.5971 29.3669 178.5071 99 L 4.1893 7.5803 117.9395 57.3254 41.8415 178.9599 100 R 3.8992 7.6250 117.7544 57.8726 30.9686 176.2100 101 Y 4.4993 6.8877 117.2030 55.3590 37.4769 175.4419 102 R 4.0603 8.3875 122.4963 59.2352 30.8516 178.2290 103 R 3.9784 8.3252 113.4253 59.1697 29.1672 176.4086 104 A 3.6978 7.4847 120.5004 53.0889 18.5230 177.2812 105 F 4.4649 8.8703 119.0991 58.0526 37.8164 177.2260 106 S 4.2827 7.9088 117.1457 62.0672 62.6224 176.4773 107 D 4.4062 8.0894 120.5847 57.2981 40.5512 178.7161 108 L 3.9148 7.8243 119.2155 58.0743 41.9540 179.2826 109 T 4.1801 10.0835 109.5010 65.2238 68.2871 176.0238 110 S 4.4067 8.0907 116.2413 60.3048 63.1184 176.3479 111 Q 4.1503 8.2063 121.0880 58.7537 28.5603 177.8135 112 L 4.0794 8.1409 120.4199 57.4871 43.5746 176.4875 113 H 3.9244 7.8083 114.7413 57.0655 28.1662 173.1140 114 I 4.0900 7.5591 119.2759 60.5743 38.5135 174.5596 115 T 4.7821 8.7748 117.5737 59.3960 71.7119 172.4448 116 P 4.5127 0.0000 0.0000 64.0370 31.1955 177.4237 117 G 3.9263 8.2721 107.5263 46.3212 0.0000 174.8797 118 T 3.7952 7.4747 116.2690 63.9006 68.7725 174.1054 119 A 4.4341 8.2573 128.7127 51.1129 20.1211 177.4983 120 Y 2.5542 8.1774 119.5277 60.5599 38.7090 178.0685 121 Q 3.8378 7.9303 118.4499 59.0291 28.7739 179.0525 122 S 4.0572 7.4445 115.8507 61.1889 62.7826 176.3191 123 F 4.0381 7.6921 122.9241 61.1540 39.1591 176.4653 124 E 3.8357 8.0556 119.2209 59.3338 29.1567 178.4155 125 Q 3.8544 7.6087 117.9367 59.4156 29.2513 178.3978 126 V 3.5765 7.6725 119.0453 65.6959 31.4269 178.2440 127 V 3.1222 7.7048 118.5882 65.7357 31.4086 177.5449 128 N 4.2852 8.6419 116.6089 56.8886 38.4956 176.9391 129 E 4.0010 7.8284 119.4567 58.8050 29.3134 178.9068 130 L 3.7802 7.6317 119.9880 57.0152 42.1230 177.9412 131 F 4.6523 7.4569 115.9747 56.8794 39.0157 177.2344 132 R 3.8250 7.3784 121.1726 59.8885 29.6722 177.1880 133 D 4.4961 7.8657 113.2622 54.1251 40.9792 175.0179 134 G 3.7167 8.1437 105.9286 44.2586 0.0000 173.4328 135 V 3.9000 7.5905 118.5310 61.6047 32.6876 174.9260 136 N 4.4274 7.4582 122.1538 50.4272 41.3075 175.6347 137 W 4.4954 8.9340 120.9387 59.9851 29.3241 178.9198 138 G 4.0153 8.6857 105.0851 47.9666 0.0000 175.3135 139 A 4.0205 8.0570 122.2292 54.6390 18.5008 179.6344 140 I 3.9848 7.7206 118.4173 64.6538 37.2008 178.7312 141 V 3.6696 8.0313 118.6400 65.7523 31.3546 178.0392 142 A 3.0156 7.7521 120.1323 54.7525 18.2162 178.8952 143 F 3.8974 8.2239 119.5976 61.9206 39.2601 177.4540 144 F 3.2957 8.3453 116.8035 60.4084 38.5141 177.7151 145 S 4.4960 8.1219 112.7229 61.2706 62.0825 175.9661 146 F 3.5764 8.4495 123.9455 60.8334 38.9085 177.2502 147 G 3.5222 7.9490 105.4789 47.7024 0.0000 175.6667 148 G 3.8043 8.5022 108.7996 47.6061 0.0000 175.5893 149 A 4.1011 8.3981 123.8572 54.4864 18.3777 179.4124 150 L 3.7327 7.9410 119.2978 58.4604 42.1068 179.0274 151 C 3.9640 8.1687 116.8128 62.8363 28.0879 176.3031 152 V 3.5372 7.8700 119.7768 65.8786 31.0934 177.6757 153 E 3.9146 8.3067 119.0919 59.3267 29.4911 178.9608 154 S 4.0227 7.9419 115.1725 61.6723 62.9070 176.9513 155 V 3.3614 7.4536 120.8184 65.7526 30.8775 177.6136 156 D 4.3764 7.6022 117.9259 57.0105 40.7006 178.0678 157 K 4.3265 7.7389 116.0256 55.2411 33.3951 176.7068 158 E 3.6684 7.8111 116.4889 58.1211 27.2980 174.9237 159 M 4.8230 8.3064 115.8084 53.1785 33.6095 177.7228 160 Q 3.7207 8.0661 119.3308 59.9045 28.4666 179.0351 161 V 3.5738 7.5352 112.1308 63.5243 31.8382 177.6368 162 L 3.9133 7.9447 119.1911 56.6491 41.4936 178.9437 163 V 3.1935 7.3398 118.9619 66.1802 31.2460 178.3275 164 S 4.0181 7.3759 112.8224 60.8971 62.9080 176.3402 165 R 3.2893 7.3664 121.4545 58.9386 29.7272 178.4203 166 I 2.8691 7.2348 119.3569 64.2195 37.0304 178.1231 167 A 3.9757 7.6420 121.1535 55.3971 18.1697 179.6477 168 S 4.0314 7.9602 111.6036 61.3687 62.4537 176.4203 169 W 4.4374 8.3251 122.0277 60.0180 28.6852 178.4982 170 M 4.6052 8.3109 118.7793 58.4324 31.4327 178.6094 171 A 4.1921 8.5298 121.3692 55.5106 18.5491 179.8943 172 T 3.8360 8.3034 114.4001 66.8774 68.5021 176.3961 173 Y 4.2853 8.9197 123.1511 60.0713 38.9346 177.5776 174 L 3.9562 8.7620 121.6896 58.4833 42.0263 178.8178 175 N 4.5420 8.5288 115.0877 56.4610 38.5769 177.0022 176 D 4.3770 8.5678 119.4039 57.1207 40.9961 177.5180 177 H 4.4757 8.3671 114.5338 56.4070 30.4747 175.9550 178 L 4.2144 7.2855 119.1859 56.2319 42.5878 178.0907 179 E 4.0263 8.6742 119.5836 59.0860 29.2446 177.2668 180 P 4.2070 0.0000 0.0000 65.0880 31.8389 178.1160 181 W 4.0748 8.0057 126.7851 60.5382 30.7076 177.5708 182 I 3.2332 8.1861 120.1138 64.5414 36.4076 178.2098 183 Q 4.1421 8.2637 117.8211 57.9060 28.6664 177.2291 184 E 4.4268 7.4806 115.6789 56.2062 30.1832 175.9022 185 N 4.5464 8.2725 116.6665 52.8125 39.4887 175.1280 186 G 4.1465 7.6615 104.6368 46.0931 0.0000 175.4193 187 G 4.3251 8.0946 110.1944 44.1583 0.0000 174.9922 188 W 4.3631 8.6286 117.2151 59.2601 28.6306 178.2768 189 D 4.4642 8.4200 119.1160 57.9605 40.4162 178.8926 190 T 3.8425 7.9266 115.8112 66.4293 68.3689 176.4969 191 F 3.0542 7.3067 122.1316 60.9032 39.1890 177.3353 192 V 3.3819 8.0365 117.8644 65.9343 31.1001 177.3209 193 D 4.3559 7.9056 117.6974 57.8203 40.8258 178.9696 194 L 4.0805 7.9625 117.8359 57.0145 41.7859 178.1044 195 Y 4.4877 7.7499 114.4546 57.8970 39.8029 176.0435 196 G 3.7096 7.8714 113.1414 45.6971 0.0000 173.2389 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 2 S 8.19 4.53 0.00 4.00 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 3 Q 8.63 3.97 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.88 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 4 S 8.84 4.12 0.00 4.04 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 0.00 5 N 8.23 4.39 0.00 3.04 3.09 0.00 0.00 6.76 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 6 R 7.70 4.00 0.00 1.96 2.10 0.00 3.09 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 7 E 8.29 3.87 0.00 2.15 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 2.23 2.28 0.00 8 L 8.14 3.84 0.00 1.80 1.56 -0.47 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.93 3.93 2.33 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 1.16 0.00 0.00 1.07 0.00 0.00 10 V 8.02 3.48 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 0.21 0.00 0.00 0.81 0.00 0.00 11 D 8.14 4.21 0.00 2.83 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.57 4.15 0.00 3.15 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 13 L 8.37 4.10 0.00 2.08 2.01 1.11 0.96 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 14 S 8.18 4.32 0.00 4.01 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 15 Y 8.11 4.24 0.00 2.96 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 16 K 8.04 3.61 0.00 1.66 1.74 0.00 1.78 0.00 0.00 1.54 0.00 0.00 3.07 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.83 1.38 7.81 17 L 8.25 4.05 0.00 1.98 1.82 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.96 4.40 0.00 4.18 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 19 Q 7.46 3.88 0.00 1.74 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.82 0.00 0.00 0.00 0.00 0.00 2.21 2.15 0.00 20 K 7.42 4.33 0.00 1.85 1.79 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.16 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.47 7.81 21 G 7.71 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.29 5.00 0.00 3.04 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 23 S 8.26 4.98 0.00 4.02 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 24 W 9.25 4.55 0.00 3.44 3.23 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 25 S 7.76 3.98 0.00 4.13 3.98 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 0.00 0.00 0.00 *70 G 7.86 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 0.00 0.00 0.00 71 H 8.45 4.86 0.00 3.10 3.13 0.00 5.68 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.45 4.77 0.00 3.98 3.87 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 73 S 8.33 4.26 0.00 3.90 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 74 S 8.37 4.41 0.00 4.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.49 4.03 0.00 1.66 1.78 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.11 4.40 0.00 2.79 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 77 A 7.32 4.07 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 78 R 8.74 4.04 0.00 1.79 2.00 0.00 3.28 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 79 E 8.06 4.91 0.00 2.38 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 2.27 2.49 0.00 80 V 8.92 4.19 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 0.79 0.00 0.00 1.01 0.00 0.00 81 I 8.02 4.12 2.02 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 1.37 1.24 1.04 0.00 0.00 82 P 0.00 4.34 0.00 2.25 2.18 0.00 3.81 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 83 M 8.99 3.76 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 3.02 0.00 84 A 8.13 4.01 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 A 8.26 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 86 V 7.55 3.61 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 0.71 0.00 0.00 1.03 0.00 0.00 87 K 8.26 3.78 0.00 1.87 1.89 0.00 1.73 0.00 0.00 1.49 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.41 7.81 88 Q 8.10 3.83 0.00 2.27 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 89 A 8.01 4.11 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 0.00 0.00 90 L 8.01 4.12 0.00 1.66 1.73 0.22 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.31 4.09 0.00 1.87 1.40 0.00 2.82 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.75 0.00 92 E 8.24 4.08 0.00 2.16 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 0.00 2.39 2.35 0.00 93 A 8.50 4.41 1.64 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 0.00 0.00 94 G 9.11 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.84 4.58 0.00 3.07 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 96 E 8.83 4.10 0.00 2.39 2.16 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 2.45 2.58 0.00 97 F 9.10 4.21 0.00 3.39 3.49 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 0.00 0.00 0.00 98 E 8.82 4.21 0.00 2.48 2.25 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 2.49 2.65 0.00 99 L 7.58 4.19 0.00 1.64 1.70 1.00 1.39 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 0.00 100 R 7.63 3.90 0.00 1.67 0.97 0.00 2.93 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.00 0.00 101 Y 6.89 4.50 0.00 2.33 2.44 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 0.00 102 R 8.39 4.06 0.00 1.77 2.00 0.00 3.42 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 103 R 8.33 3.98 0.00 1.96 2.22 0.00 2.98 0.00 0.00 3.35 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 104 A 7.48 3.70 0.49 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 0.00 0.00 0.00 0.00 0.00 105 F 8.87 4.46 0.00 3.42 3.61 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 0.00 106 S 7.91 4.28 0.00 3.93 3.98 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 0.00 0.00 0.00 107 D 8.09 4.41 0.00 2.72 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 0.00 108 L 7.82 3.91 0.00 1.85 1.41 0.88 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 109 T 10.08 4.18 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 1.51 0.00 0.00 110 S 8.09 4.41 0.00 4.10 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 0.00 111 Q 8.21 4.15 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 112 L 8.14 4.08 0.00 1.95 1.84 1.16 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 113 H 7.81 3.92 0.00 3.33 3.25 0.00 5.82 0.00 0.00 0.00 0.00 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.56 4.09 1.97 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.36 0.93 0.00 0.00 115 T 8.77 4.78 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 116 P 0.00 4.51 0.00 2.07 2.13 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 2.06 0.00 117 G 8.27 3.93 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 0.00 0.00 0.00 118 T 7.47 3.80 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 119 A 8.26 4.43 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 8.18 2.55 0.00 2.59 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 0.00 121 Q 7.93 3.84 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 122 S 7.44 4.06 0.00 3.87 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 0.00 123 F 7.69 4.04 0.00 2.81 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.06 3.84 0.00 1.25 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 2.30 2.45 0.00 125 Q 7.61 3.85 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 126 V 7.67 3.58 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 0.80 0.00 0.00 0.92 0.00 0.00 127 V 7.70 3.12 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 0.27 0.00 0.00 0.06 0.00 0.00 128 N 8.64 4.29 0.00 2.90 2.90 0.00 0.00 7.06 7.52 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 0.00 129 E 7.83 4.00 0.00 1.88 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 130 L 7.63 3.78 0.00 1.39 0.77 0.80 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 131 F 7.46 4.65 0.00 3.04 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 0.00 132 R 7.38 3.83 0.00 1.74 2.15 0.00 3.28 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 133 D 7.87 4.50 0.00 2.68 2.67 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 0.00 0.00 0.00 0.00 134 G 8.14 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 0.00 0.00 0.00 135 V 7.59 3.90 0.67 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 -0.65 0.00 0.00 0.40 0.00 0.00 136 N 7.46 4.43 0.00 3.01 2.86 0.00 0.00 6.24 8.88 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 0.00 137 W 8.93 4.50 0.00 3.88 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 0.00 138 G 8.69 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 0.00 139 A 8.06 4.02 1.11 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 0.00 0.00 140 I 7.72 3.98 2.21 0.00 0.00 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 1.39 0.82 1.37 0.00 0.00 141 V 8.03 3.67 2.43 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 1.20 0.00 0.00 0.99 0.00 0.00 142 A 7.75 3.02 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 F 8.22 3.90 0.00 3.04 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 0.00 144 F 8.35 3.30 0.00 2.71 1.64 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 0.00 145 S 8.12 4.50 0.00 4.01 4.01 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 0.00 146 F 8.45 3.58 0.00 1.77 2.71 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 0.00 0.00 0.00 0.00 147 G 7.95 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.50 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 0.00 0.00 0.00 149 A 8.40 4.10 1.55 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 0.00 0.00 150 L 7.94 3.73 0.00 1.62 1.51 0.67 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 151 C 8.17 3.96 0.00 3.13 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 0.00 152 V 7.87 3.54 2.25 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 1.14 0.00 0.00 1.05 0.00 0.00 153 E 8.31 3.91 0.00 2.19 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 2.29 2.36 0.00 154 S 7.94 4.02 0.00 3.75 3.89 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 0.00 155 V 7.45 3.36 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 0.27 0.00 0.00 0.65 0.00 0.00 156 D 7.60 4.38 0.00 2.91 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 K 7.74 4.33 0.00 1.69 1.79 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.63 7.81 158 E 7.81 3.67 0.00 2.10 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 2.21 2.22 0.00 159 M 8.31 4.82 0.00 1.89 1.95 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.40 0.00 160 Q 8.07 3.72 0.00 2.06 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 161 V 7.54 3.57 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 0.72 0.00 0.00 0.84 0.00 0.00 162 L 7.94 3.91 0.00 1.63 1.49 0.91 0.99 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 0.00 163 V 7.34 3.19 1.56 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 0.10 0.00 0.00 0.61 0.00 0.00 164 S 7.38 4.02 0.00 4.02 3.93 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 0.00 165 R 7.37 3.29 0.00 1.42 0.66 0.00 2.95 0.00 0.00 3.44 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.45 0.00 166 I 7.23 2.87 1.68 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.18 0.72 0.00 0.00 167 A 7.64 3.98 1.56 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 0.00 168 S 7.96 4.03 0.00 3.85 3.83 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 0.00 169 W 8.33 4.44 0.00 2.84 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 0.00 170 M 8.31 4.61 0.00 2.03 2.26 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.39 0.00 171 A 8.53 4.19 1.43 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 0.00 172 T 8.30 3.84 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 173 Y 8.92 4.29 0.00 3.72 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 0.00 174 L 8.76 3.96 0.00 2.30 2.00 1.24 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 175 N 8.53 4.54 0.00 2.75 2.89 0.00 0.00 7.17 8.10 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 0.00 176 D 8.57 4.38 0.00 2.45 2.39 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 0.00 177 H 8.37 4.48 0.00 2.33 2.67 0.00 5.63 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.29 4.21 0.00 1.58 1.51 0.28 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 179 E 8.67 4.03 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 180 P 0.00 4.21 0.00 2.03 2.07 0.00 3.52 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.11 0.00 181 W 8.01 4.07 0.00 3.21 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 0.00 182 I 8.19 3.23 1.91 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 0.96 0.63 0.61 0.00 0.00 183 Q 8.26 4.14 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 184 E 7.48 4.43 0.00 1.70 1.78 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 2.39 2.30 0.00 185 N 8.27 4.55 0.00 1.44 1.93 0.00 0.00 7.20 7.85 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 0.00 186 G 7.66 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 0.00 0.00 0.00 0.00 187 G 8.09 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 0.00 188 W 8.63 4.36 0.00 3.46 3.28 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 0.00 189 D 8.42 4.46 0.00 2.90 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 0.00 190 T 7.93 3.84 4.53 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 1.34 0.00 0.00 191 F 7.31 3.05 0.00 1.51 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 0.00 192 V 8.04 3.38 2.22 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 0.96 0.00 0.00 1.07 0.00 0.00 193 D 7.91 4.36 0.00 2.69 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 0.00 194 L 7.96 4.08 0.00 1.67 1.64 1.04 0.77 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 0.00 195 Y 7.75 4.49 0.00 2.00 2.71 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 0.00 0.00 0.00 0.00 196 G 7.87 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.