NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1711 8.2493 123.5835 52.0214 19.9735 176.7328 *2 S 4.2703 8.2364 117.8357 57.9344 65.4829 174.6813 3 K 3.8738 8.3800 121.7870 59.9175 31.8355 179.5557 4 L 3.9973 7.8079 118.5884 57.6772 41.6109 179.3300 5 Q 4.0326 7.8221 117.2651 58.9647 28.6411 178.6788 6 Q 4.0367 8.2444 119.1211 59.0517 28.7470 178.8551 7 I 3.8129 8.0521 120.9714 64.5083 37.1500 178.4285 8 L 4.0532 7.8598 119.5160 58.1069 41.3731 179.7276 9 T 3.9080 8.0008 115.7502 66.7347 68.2975 176.0573 10 Y 4.1135 8.1350 121.4554 60.7578 38.8670 178.1493 11 L 3.7637 8.1124 119.9695 57.4123 41.6484 179.0339 12 E 3.8696 8.1960 119.6010 59.4266 29.4313 179.1669 13 S 4.1348 7.9283 112.7418 61.0347 63.0717 175.2201 14 E 4.1355 7.8526 119.4615 54.8851 29.5858 176.1039 15 K 3.7784 7.5717 117.4181 57.1814 30.3998 175.0780 16 L 4.4332 7.5415 117.4969 53.8797 42.8468 177.2805 17 D 4.6960 9.0143 123.7072 57.1945 42.0704 176.6958 18 V 4.7151 7.4491 114.3350 60.7338 34.4785 171.8507 19 A 5.0710 9.0529 125.1823 50.2898 21.2618 175.5622 20 V 4.4500 9.2535 123.4048 61.2012 33.7658 174.5674 21 V 4.7350 8.8102 129.8908 61.7514 32.2638 176.2896 22 S 4.6229 9.2316 121.6816 58.3332 64.8945 173.9413 23 D 4.7235 8.4982 122.0462 52.7272 42.0437 174.8386 24 P 4.2517 0.0000 0.0000 65.8108 31.2675 178.7886 25 V 3.8018 8.4364 117.2281 66.2403 31.4436 178.3356 26 T 4.0263 7.9275 115.1652 66.6339 68.2954 176.6326 27 I 3.8512 8.2579 122.2192 64.4476 37.0783 178.0587 28 N 4.7765 8.4835 119.2188 56.3402 38.6315 175.9888 29 Y 4.2466 8.1708 120.2225 61.0518 38.8799 177.9933 30 L 4.1284 8.0794 117.6820 56.2795 42.0672 177.6164 31 T 4.5992 7.5085 105.6255 59.9083 70.2570 175.2168 32 G 3.8613 8.7445 109.9228 45.4208 0.0000 173.0022 33 F 4.6145 8.3820 123.2766 56.8679 39.3799 173.6047 34 Y 4.5369 7.9467 129.4505 55.7423 40.0969 174.6586 35 S 3.8146 6.8765 119.9249 56.4107 65.5081 172.6008 36 D 4.2911 7.9928 127.0068 52.4089 40.8637 174.1253 37 P 4.5041 0.0000 0.0000 62.8171 33.2387 178.1408 38 H 3.8604 7.8136 117.7547 57.3618 28.7807 176.9721 39 E 4.2541 9.1027 127.2125 58.2453 29.9275 176.7011 40 R 4.3271 7.8870 119.2436 55.8363 30.8743 175.8629 41 Q 4.1343 8.7698 119.8977 55.1089 30.2334 175.4274 *43 F 4.6608 8.0885 116.1081 57.5774 40.8426 174.0304 44 L 5.1296 8.8629 124.4928 53.6252 44.1169 174.9105 45 F 5.1292 9.6721 125.7193 55.9203 41.3690 174.9185 46 V 4.3581 8.9477 125.7284 61.6584 32.3343 174.7741 47 L 4.9868 8.4048 127.6555 53.3241 43.2155 177.0006 48 A 4.0845 8.5162 124.1182 54.4626 18.7528 179.1535 49 D 4.8729 7.6562 112.3170 53.5782 41.5324 175.5728 50 Q 4.5480 7.5531 117.3158 55.0908 31.6715 173.4184 51 E 4.1429 8.5693 121.2148 55.6090 30.0641 175.1054 52 P 4.6651 0.0000 0.0000 62.4948 32.8083 175.4711 53 L 5.1070 9.0014 122.2678 53.5598 45.2872 174.7383 54 L 5.1022 9.3237 129.4254 54.1947 43.4743 174.7034 55 F 5.4918 9.6262 129.9795 56.8129 40.9524 175.0483 56 V 4.6205 8.0948 118.3204 58.6115 36.5093 173.5988 57 P 4.1505 0.0000 0.0000 62.2164 32.1149 177.4706 58 A 3.8735 8.3284 123.6512 55.6189 17.9647 180.4285 59 L 3.9969 7.7478 115.2671 57.0544 41.9178 178.2979 60 E 4.4757 8.4075 117.5603 56.4038 29.8510 178.0256 61 V 3.4139 7.5376 119.8883 65.7816 31.6522 177.4390 62 E 3.8256 7.9817 118.4625 59.3935 29.4381 178.6007 63 R 3.9304 7.9327 116.5739 59.1961 30.5015 177.8563 64 A 3.1430 8.0149 120.7693 55.0574 18.0801 179.6992 65 S 3.9384 7.9303 112.8168 61.2136 62.9592 176.2474 66 S 4.4890 7.5870 113.4573 59.1507 63.3722 175.5399 67 T 4.2781 7.5886 119.3874 64.2332 69.0933 175.0179 68 V 4.3778 6.7762 111.3893 59.4577 34.6246 175.4315 69 S 4.4767 8.2361 114.5442 57.9937 63.8206 174.0909 70 F 4.8595 6.8473 116.2868 54.7023 39.7066 173.3364 71 P 4.3966 0.0000 0.0000 63.0397 32.0916 175.6985 72 V 4.9610 8.3730 123.4533 61.0433 34.0057 174.6432 73 V 4.4714 8.8053 127.0472 61.0818 34.4592 174.5906 74 G 4.9287 8.6907 113.9637 44.4173 0.0000 171.7593 75 Y 5.1771 7.8036 116.9121 55.2328 41.8896 175.0498 76 V 4.2198 9.0526 114.9437 59.8316 33.7773 177.0457 77 D 4.3020 8.5290 121.5781 57.3897 40.7090 178.2389 78 S 4.3776 7.9370 111.5365 59.5025 63.6840 174.1093 79 E 4.3444 8.0377 121.1566 55.6731 30.4563 176.0098 80 N 4.6695 8.5171 119.8798 52.1289 39.9239 174.2435 81 P 3.9155 0.0000 0.0000 65.4200 31.2763 178.5734 82 W 4.1177 7.2077 118.2327 59.7476 29.0386 178.3586 83 Q 3.8996 8.6559 118.2060 58.7111 28.0411 178.7512 84 K 4.0252 8.0175 120.8267 59.2885 32.1767 179.0891 85 I 3.2048 7.4919 120.3282 64.0794 36.7448 178.3043 86 K 3.6117 7.4177 119.0177 59.7085 32.0074 178.1547 87 H 4.5067 7.8613 115.3862 58.3259 28.7881 177.2232 88 A 4.1987 7.9288 122.0927 53.6950 18.5039 178.0078 89 L 4.2289 7.1715 116.7735 53.1945 42.5186 175.1596 90 P 4.3965 0.0000 0.0000 63.4061 32.1121 176.9036 91 Q 4.3421 8.3267 119.9264 55.3337 27.6653 175.0262 92 L 4.0357 7.1529 118.3614 53.7185 43.3864 177.0089 93 D 4.4010 7.8604 119.4312 52.9675 40.0152 175.7588 94 F 4.3806 8.4941 126.0328 56.8331 38.5227 175.4915 95 K 4.4107 9.3653 126.8714 57.1960 34.1484 177.2573 96 R 4.8562 8.0339 118.3862 54.2694 34.0252 174.6204 97 V 4.6375 8.5115 123.0678 60.8062 35.1580 173.7536 98 A 5.3118 8.8470 128.5503 50.4062 21.5646 176.0206 99 V 5.1291 8.7961 114.0761 58.3146 36.6931 175.4013 100 E 4.6344 8.8252 121.7072 55.4940 28.7853 177.7476 101 F 4.3320 9.1782 124.1446 60.4912 39.1293 176.5170 102 D 4.6915 7.8523 117.8148 54.9534 41.0994 176.2793 103 N 4.7556 7.8718 116.2210 54.3137 41.1419 174.1986 104 L 4.1412 8.1471 120.9270 54.8050 42.4268 177.0348 105 I 4.2007 8.2114 120.3086 60.1567 40.2206 176.5957 106 L 3.9368 8.3568 120.6344 58.2702 41.4127 179.9574 107 T 3.8881 7.8893 115.3264 66.6307 68.4113 176.6021 108 K 4.3178 8.0876 119.9083 59.2298 32.2066 178.6552 109 Y 4.0022 8.1237 119.9911 61.1229 38.5255 177.9216 110 H 3.8637 7.9447 116.0307 58.4498 29.0221 177.7317 111 G 2.0000 7.3312 107.3307 47.1068 0.0000 175.8190 112 L 3.9161 7.5839 122.3002 57.0041 41.5438 179.6316 113 K 4.2566 7.8367 118.1104 58.9695 31.6143 179.2424 114 T 3.8969 7.2268 115.8357 65.9625 68.4288 176.7781 115 V 3.5967 7.2390 119.1536 64.1606 32.4726 176.0940 116 F 4.9182 7.9737 119.4102 55.5514 38.5208 175.5491 117 E 4.6133 8.7034 122.7530 57.7339 29.9271 177.9062 118 T 4.5983 7.8313 106.7242 60.9665 69.4597 173.6322 119 A 4.5630 7.7269 122.9204 52.2081 19.4833 177.4158 120 E 4.8039 8.8035 117.3861 54.8947 32.5690 174.9059 121 F 5.2689 9.0556 119.9010 56.2377 41.0228 175.0441 122 D 4.9670 9.2033 124.1120 52.8863 43.8325 174.8020 123 N 4.4577 8.0343 118.7732 52.4295 39.0803 175.1442 124 L 4.2773 9.1948 128.1847 57.2000 42.3507 178.6363 125 T 3.8491 8.1412 116.2254 66.4063 68.3099 174.6080 126 P 4.4635 0.0000 0.0000 64.8223 31.1280 178.6219 127 R 3.6697 7.7080 116.5215 59.4103 30.0185 178.2127 128 I 3.8500 7.2074 118.7001 64.3042 36.9922 178.0030 129 Q 4.0878 8.1502 119.0559 58.7150 28.5492 180.0985 130 R 3.8024 8.0248 119.2909 56.4269 30.0242 178.0343 *132 R 4.3609 7.9857 115.7303 55.2425 32.0247 176.9254 133 L 4.0203 7.9590 117.6821 56.6959 41.7777 176.9938 134 I 4.2609 7.5488 119.5035 59.1297 37.6202 175.6122 135 K 4.1470 8.7856 124.0340 57.3179 32.0185 176.3224 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 0 A 8.25 4.17 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 *2 S 8.24 4.27 0.00 4.08 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 3 K 8.38 3.87 0.00 1.66 1.79 0.00 1.21 0.00 0.00 0.76 0.00 0.00 2.68 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.41 7.81 4 L 7.81 4.00 0.00 1.66 1.65 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 7.82 4.03 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 6 Q 8.24 4.04 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 7 I 8.05 3.81 2.03 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.02 1.01 0.00 0.00 8 L 7.86 4.05 0.00 1.94 1.73 0.93 0.68 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 9 T 8.00 3.91 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 10 Y 8.14 4.11 0.00 3.12 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 11 L 8.11 3.76 0.00 1.84 1.86 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.20 3.87 0.00 2.03 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 2.27 2.29 0.00 13 S 7.93 4.13 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 14 E 7.85 4.14 0.00 1.47 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 1.74 1.47 0.00 15 K 7.57 3.78 0.00 1.83 1.81 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.32 7.81 16 L 7.54 4.43 0.00 1.54 1.53 0.78 0.76 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 17 D 9.01 4.70 0.00 2.79 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 18 V 7.45 4.72 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 1.08 0.00 0.00 19 A 9.05 5.07 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 9.25 4.45 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 0.62 0.00 0.00 1.10 0.00 0.00 21 V 8.81 4.73 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 1.14 0.00 0.00 0.99 0.00 0.00 22 S 9.23 4.62 0.00 4.12 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 0.00 23 D 8.50 4.72 0.00 2.79 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 24 P 0.00 4.25 0.00 2.25 2.06 0.00 3.67 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 25 V 8.44 3.80 2.26 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 1.13 0.00 0.00 1.01 0.00 0.00 26 T 7.93 4.03 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 1.35 0.00 0.00 27 I 8.26 3.85 2.13 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.20 1.19 0.00 0.00 28 N 8.48 4.78 0.00 3.19 3.12 0.00 0.00 6.39 7.01 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 29 Y 8.17 4.25 0.00 3.02 3.27 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 30 L 8.08 4.13 0.00 1.75 1.72 1.00 0.62 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 31 T 7.51 4.60 4.48 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 1.52 0.00 0.00 32 G 8.74 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 0.00 0.00 0.00 33 F 8.38 4.61 0.00 3.15 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 34 Y 7.95 4.54 0.00 2.97 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 35 S 6.88 3.81 0.00 3.32 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 36 D 7.99 4.29 0.00 2.55 2.41 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 37 P 0.00 4.50 0.00 2.43 2.20 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.87 0.00 38 H 7.81 3.86 0.00 3.28 2.43 0.00 5.65 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 9.10 4.25 0.00 2.13 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 2.30 2.31 0.00 40 R 7.89 4.33 0.00 1.97 1.98 0.00 3.05 0.00 0.00 2.99 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 41 Q 8.77 4.13 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.45 0.00 0.00 0.00 0.00 0.00 2.14 1.58 0.00 *43 F 8.09 4.66 0.00 2.80 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 0.00 0.00 0.00 44 L 8.86 5.13 0.00 1.87 1.60 1.10 0.90 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 45 F 9.67 5.13 0.00 3.04 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.95 4.36 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.92 0.00 0.00 47 L 8.40 4.99 0.00 1.63 1.66 1.02 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.52 4.08 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 49 D 7.66 4.87 0.00 2.64 2.65 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 50 Q 7.55 4.55 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.96 7.02 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 51 E 8.57 4.14 0.00 2.07 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 2.40 2.39 0.00 52 P 0.00 4.67 0.00 0.49 1.64 0.00 3.29 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.74 0.00 53 L 9.00 5.11 0.00 1.87 1.71 1.11 0.75 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 54 L 9.32 5.10 0.00 2.23 1.68 1.14 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 55 F 9.63 5.49 0.00 3.39 3.48 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 56 V 8.09 4.62 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.79 0.00 0.00 57 P 0.00 4.15 0.00 2.03 1.70 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.27 0.00 58 A 8.33 3.87 1.18 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 0.00 0.00 59 L 7.75 4.00 0.00 1.55 1.71 0.86 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.41 4.48 0.00 2.04 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 2.26 2.50 0.00 61 V 7.54 3.41 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 1.00 0.00 0.00 0.82 0.00 0.00 62 E 7.98 3.83 0.00 2.04 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 2.36 2.34 0.00 63 R 7.93 3.93 0.00 1.91 2.12 0.00 3.36 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.79 0.00 64 A 8.01 3.14 0.51 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 0.00 0.00 65 S 7.93 3.94 0.00 3.96 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 66 S 7.59 4.49 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 67 T 7.59 4.28 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 1.39 0.00 0.00 68 V 6.78 4.38 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.13 0.00 0.00 69 S 8.24 4.48 0.00 3.96 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 70 F 6.85 4.86 0.00 3.37 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 71 P 0.00 4.40 0.00 2.24 2.10 0.00 4.12 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.19 0.00 72 V 8.37 4.96 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 0.67 0.00 0.00 0.71 0.00 0.00 73 V 8.81 4.47 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 1.17 0.00 0.00 1.03 0.00 0.00 74 G 8.69 4.93 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 75 Y 7.80 5.18 0.00 3.10 2.92 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 76 V 9.05 4.22 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 0.61 0.00 0.00 0.95 0.00 0.00 77 D 8.53 4.30 0.00 2.62 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 78 S 7.94 4.38 0.00 4.00 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 79 E 8.04 4.34 0.00 2.36 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 2.39 2.31 0.00 80 N 8.52 4.67 0.00 2.80 2.72 0.00 0.00 6.72 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 81 P 0.00 3.92 0.00 1.26 0.61 0.00 3.48 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 1.43 0.00 82 W 7.21 4.12 0.00 3.49 3.09 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 83 Q 8.66 3.90 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 84 K 8.02 4.03 0.00 2.08 2.05 0.00 1.64 0.00 0.00 1.86 0.00 0.00 3.15 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.85 1.70 7.81 85 I 7.49 3.20 1.58 0.00 0.00 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 0.46 -0.36 0.23 0.00 0.00 86 K 7.42 3.61 0.00 1.62 1.73 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.30 7.81 87 H 7.86 4.51 0.00 3.18 3.32 0.00 5.72 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 88 A 7.93 4.20 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 89 L 7.17 4.23 0.00 1.50 1.63 0.12 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.40 0.00 2.20 2.10 0.00 3.86 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00 91 Q 8.33 4.34 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 92 L 7.15 4.04 0.00 0.27 1.04 0.77 0.96 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 93 D 7.86 4.40 0.00 2.52 2.49 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 94 F 8.49 4.38 0.00 3.21 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 95 K 9.37 4.41 0.00 1.74 1.80 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.76 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.46 7.81 96 R 8.03 4.86 0.00 1.74 1.69 0.00 3.03 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 97 V 8.51 4.64 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 -0.06 0.00 0.00 98 A 8.85 5.31 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 99 V 8.80 5.13 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 1.31 0.00 0.00 1.39 0.00 0.00 100 E 8.83 4.63 0.00 2.13 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 2.43 2.41 0.00 101 F 9.18 4.33 0.00 2.93 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 0.00 102 D 7.85 4.69 0.00 2.70 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 0.00 103 N 7.87 4.76 0.00 2.68 2.84 0.00 0.00 6.99 7.78 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 0.00 104 L 8.15 4.14 0.00 1.83 1.61 1.23 1.20 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 0.00 105 I 8.21 4.20 1.90 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 1.72 0.79 0.94 0.00 0.00 106 L 8.36 3.94 0.00 1.68 1.69 0.92 0.54 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 0.00 107 T 7.89 3.89 4.34 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 1.36 0.00 0.00 108 K 8.09 4.32 0.00 2.16 2.35 0.00 1.83 0.00 0.00 1.88 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 2.12 1.71 7.81 109 Y 8.12 4.00 0.00 2.81 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 0.00 110 H 7.94 3.86 0.00 3.07 3.10 0.00 5.74 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 0.00 111 G 7.33 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 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.58 3.92 0.00 1.81 2.06 1.03 0.53 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 0.00 113 K 7.84 4.26 0.00 1.55 1.66 0.00 1.48 0.00 0.00 1.04 0.00 0.00 2.17 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.00 0.61 7.81 114 T 7.23 3.90 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 1.13 0.00 0.00 115 V 7.24 3.60 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 -0.39 0.00 0.00 0.85 0.00 0.00 116 F 7.97 4.92 0.00 3.07 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 0.00 117 E 8.70 4.61 0.00 1.98 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 2.37 2.32 0.00 118 T 7.83 4.60 4.27 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 1.24 0.00 0.00 119 A 7.73 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.80 4.80 0.00 2.12 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 2.37 2.25 0.00 121 F 9.06 5.27 0.00 3.04 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 0.00 122 D 9.20 4.97 0.00 2.67 2.56 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 0.00 123 N 8.03 4.46 0.00 1.44 2.12 0.00 0.00 6.91 7.78 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 0.00 124 L 9.19 4.28 0.00 1.81 1.78 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 125 T 8.14 3.85 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 1.30 0.00 0.00 126 P 0.00 4.46 0.00 2.10 2.05 0.00 3.86 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 127 R 7.71 3.67 0.00 1.25 1.65 0.00 3.00 0.00 0.00 2.62 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.32 0.00 128 I 7.21 3.85 1.82 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.93 0.84 0.00 0.00 129 Q 8.15 4.09 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.11 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 130 R 8.02 3.80 0.00 1.95 1.94 0.00 3.10 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 *132 R 7.99 4.36 0.00 1.85 1.85 0.00 3.00 0.00 0.00 2.90 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 1.36 0.00 133 L 7.96 4.02 0.00 1.73 1.72 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 134 I 7.55 4.26 1.90 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 1.48 0.55 0.93 0.00 0.00 135 K 8.79 4.15 0.00 1.87 1.86 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.