NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.4019 8.3649 119.5330 53.4731 41.4071 174.5429 4 H 4.2616 8.3226 111.3663 58.0398 28.9161 174.5095 5 D 4.5622 7.9857 118.4709 54.4997 41.5945 175.6733 6 E 4.1041 7.9833 121.9570 56.6836 30.5477 175.7314 7 R 5.0296 8.5681 124.2135 54.8424 34.0643 174.5727 8 T 4.8068 8.7422 114.7265 60.5768 71.7954 172.0663 9 F 5.2317 8.6451 128.1742 57.0932 41.2351 174.7757 10 V 4.6713 7.8805 124.3087 61.5150 35.6411 173.6140 11 M 4.9134 8.4210 123.8126 54.1940 36.4518 173.7483 12 V 4.2893 8.8630 126.6073 61.4551 32.8430 175.6193 13 K 4.5169 8.8377 128.2202 55.4743 33.1315 176.7521 14 P 4.4818 0.0000 0.0000 65.0180 31.0917 178.7426 15 D 4.6128 8.3280 118.0784 56.3750 39.5665 178.7283 16 G 3.7191 8.1422 106.7133 47.2597 0.0000 176.0493 17 V 3.7147 7.7522 120.1193 66.0198 31.5260 178.0113 18 Q 4.0385 7.9341 116.6326 58.9421 28.6387 177.5063 19 R 4.2575 7.9313 113.8064 55.6164 30.3115 176.2253 20 G 3.8105 7.8374 105.3903 47.3892 0.0000 174.5477 21 L 4.8249 7.6363 115.0087 53.3502 42.7759 179.2854 22 I 3.8183 7.9049 122.5659 64.6049 36.9067 178.4470 23 G 3.5868 7.9122 106.0081 47.7242 0.0000 175.2134 24 D 4.4099 8.0459 120.7621 57.4123 40.6744 178.9968 25 I 3.8064 7.5907 119.8779 64.3211 37.0719 178.6493 26 V 3.8712 7.9392 119.2003 66.3181 31.3863 178.2022 27 T 4.0762 8.2859 115.8026 66.8074 67.7925 176.8161 28 R 3.9425 7.8324 119.9125 59.1649 29.6380 179.0765 29 L 3.7742 7.5273 118.9931 57.1696 41.5924 179.1390 30 E 4.3917 8.4916 117.8906 59.5273 29.4273 179.1624 31 T 4.0541 7.8111 115.8910 65.7127 68.6350 176.1095 32 K 4.1265 7.4679 119.3133 57.2338 32.3832 177.4061 33 G 3.9682 7.8069 106.3527 45.0638 0.0000 173.7524 34 L 4.5052 7.2420 118.7843 54.4364 42.7888 176.2049 35 K 4.8328 9.0178 122.1703 54.9718 34.8952 174.5577 36 M 3.9050 8.8933 126.9307 54.7889 32.9537 175.8289 37 V 4.6381 8.6063 116.6831 60.9047 34.7397 175.3967 38 G 3.8998 7.2151 107.2149 44.7213 0.0000 172.3130 39 G 4.3420 8.5592 106.5635 45.1941 0.0000 172.9409 40 K 4.6301 8.2122 124.2966 55.4975 36.2415 173.7920 41 F 5.4598 9.1992 130.8892 57.7807 40.4930 174.3188 42 M 4.5750 7.8533 120.9842 54.5660 34.8442 173.1669 43 R 4.7171 8.3740 119.7089 54.5501 32.8739 175.0673 44 I 4.1322 8.2495 127.2520 59.6327 37.6992 175.5261 45 D 4.5221 8.3205 125.4483 52.9286 40.0446 177.2986 46 E 3.9090 8.7167 120.0305 59.5687 29.2767 179.4859 47 E 3.8827 8.0074 118.2186 59.2314 29.6606 178.5673 48 L 3.6938 7.7268 119.7558 58.2919 42.0691 178.5372 49 A 3.9877 7.6376 119.9755 56.0753 18.0198 179.1740 50 H 4.3885 8.2311 113.1637 59.2864 28.9582 177.4389 51 E 4.0975 8.1922 119.6143 58.6946 29.4978 177.5603 52 H 4.4741 7.9028 117.4490 57.7913 30.3937 175.3938 53 Y 4.8188 7.9342 118.4396 57.7266 38.6713 177.9711 54 A 4.1223 8.5820 125.8890 56.3665 19.2464 180.9445 55 E 4.0773 7.6235 110.6456 58.9023 31.2568 179.5214 56 H 4.9594 7.4323 121.9048 55.4786 28.1886 176.2399 *62 F 4.5815 8.5563 122.9440 59.1825 40.8397 176.9144 63 D 4.6591 8.1799 119.8146 56.5290 40.8144 178.8822 64 G 3.6394 7.9820 106.0751 48.0886 0.0000 174.9600 65 L 3.8703 7.8776 120.9194 57.2592 41.4073 179.2359 66 V 3.4667 7.2728 117.2765 66.5709 31.3264 178.5109 67 S 4.1170 7.4389 109.7230 61.3626 62.4205 175.6197 68 F 4.5493 8.4180 123.8010 61.2936 39.0992 177.0811 69 I 3.5500 8.2211 112.3753 62.7382 37.4417 176.9269 70 T 4.5084 7.2184 110.2938 61.6591 69.0903 175.4418 71 S 4.2395 8.2115 117.8624 60.9095 63.5250 173.6288 72 G 4.0068 7.1712 107.6771 43.9147 0.0000 170.5181 73 P 4.3964 0.0000 0.0000 62.7469 32.9089 175.8983 74 V 4.5176 8.4477 114.3976 59.6073 35.7672 174.2995 75 F 5.3505 8.7080 123.3119 56.7860 41.4280 173.7346 76 A 4.7336 8.4680 128.8355 50.7606 21.1847 175.5462 77 M 5.0966 9.0978 121.1546 53.7207 37.5901 174.6057 78 V 4.8359 8.0424 119.0354 61.5528 35.0153 173.6225 79 W 5.2410 9.1018 127.3440 54.8763 32.5093 174.2160 80 E 5.1869 9.6025 124.5189 53.7028 32.0180 175.3839 81 G 4.2979 8.3509 113.5493 45.8375 0.0000 171.5318 82 A 4.0990 7.9801 123.4664 53.2428 18.4670 176.9936 83 D 4.7105 9.1825 121.5972 54.8920 39.9589 175.5607 84 A 4.0488 7.9642 121.4048 55.0910 18.2874 179.9804 85 T 3.8089 8.1382 114.1032 66.9429 68.5240 176.5479 86 R 3.5349 7.9040 119.6772 59.6854 30.1046 178.4724 87 Q 3.9363 8.1555 117.6821 58.8056 28.6258 178.8917 88 V 3.5228 8.0038 119.5883 65.7662 31.6131 178.3902 89 R 3.9230 7.9157 117.8909 59.3477 29.7014 178.9971 90 Q 4.0062 8.0615 116.9644 59.0473 28.9271 178.6859 91 L 4.1222 8.1322 120.0259 57.7157 41.5821 179.5772 92 M 4.0451 8.1767 119.0656 57.4972 31.9925 177.2486 93 G 3.9408 7.8254 102.5915 43.9939 0.0000 172.4310 94 A 4.1385 8.1587 121.6326 51.9540 18.9147 177.4762 95 T 3.9288 8.8840 113.7124 64.8092 68.7080 173.8881 96 D 4.4148 8.0348 124.1062 53.0471 40.3897 176.1992 97 A 4.2597 8.3396 130.2442 54.1059 18.7350 179.3382 98 Q 4.0366 8.1946 114.4857 58.7224 28.9388 176.8206 99 D 4.5590 8.0054 115.0104 54.5869 41.1988 176.4004 100 A 4.2724 7.2630 122.1577 51.2175 19.6212 177.2923 101 A 4.2559 8.2685 123.8654 50.7608 19.4493 175.7302 102 P 4.4565 0.0000 0.0000 64.2273 31.9444 175.7695 103 G 4.0741 9.1088 110.5760 46.1339 0.0000 175.1151 104 T 4.3631 7.6834 109.7748 60.9509 71.0454 175.7192 105 I 3.7626 8.3732 123.4578 64.8563 37.1984 179.1962 106 R 4.1148 8.1922 118.9285 59.1015 29.7109 179.0065 107 G 3.7700 7.7094 104.3203 48.1673 0.0000 174.8105 108 D 4.3900 8.1458 119.6899 55.4542 41.1199 176.9879 109 Y 4.8031 7.9691 115.3080 57.6731 39.9285 175.9784 110 G 4.3494 8.0343 107.5099 43.8772 0.0000 172.3274 111 N 5.0062 8.0715 118.0441 52.2888 39.1541 173.1431 112 D 4.4308 7.6151 113.6549 53.7578 44.0329 175.2316 113 L 4.5396 8.3827 121.3640 56.0528 42.3494 178.3196 114 G 3.5301 8.2361 107.9756 48.8658 0.0000 174.5578 115 H 4.1923 8.1804 121.1575 53.6077 27.2293 174.7815 116 N 4.9153 8.1429 118.7702 52.3368 38.3979 177.1779 117 L 4.2775 9.4436 123.1519 56.6595 41.2401 174.1403 118 I 4.8213 7.3776 114.0915 60.5170 41.7106 173.1597 119 H 5.0469 8.9600 125.8231 54.3373 33.0738 172.3816 120 G 4.9638 8.3573 110.9624 44.4129 0.0000 172.3974 121 S 4.5397 8.0509 118.3289 58.5112 62.3914 174.1481 122 D 4.4673 8.8554 123.9725 54.5020 41.3267 176.6689 123 H 4.5081 8.9753 122.5120 57.8344 29.0697 176.1328 124 E 4.0902 7.8056 118.4712 57.7456 30.1429 175.9121 125 D 4.5374 7.5557 119.5997 53.2511 39.8942 175.7294 126 E 4.2200 8.3746 121.5658 56.7106 30.5894 176.6284 127 G 4.0579 8.9311 107.8962 46.2953 0.0000 175.7009 128 A 4.0234 7.8389 121.9229 54.9925 18.4065 179.0568 129 N 4.3246 8.2624 115.0936 56.7063 37.3125 177.2402 130 E 4.0819 8.1629 120.8271 58.0536 29.5508 179.3510 131 R 3.8695 7.8676 119.2170 59.5450 30.2523 178.3626 132 E 3.8687 8.4168 118.6396 59.3093 29.3728 179.0027 133 I 3.8671 7.7485 119.2989 64.8343 37.0735 178.3184 134 A 4.3126 7.8085 119.9637 54.5705 18.2162 179.3049 135 L 3.9373 7.5697 118.6233 58.3369 42.4124 178.6002 136 F 4.0731 8.1701 115.4175 57.6027 39.4879 175.8855 137 F 4.8666 8.1500 116.9247 55.2211 41.7400 174.7036 138 D 4.6065 8.6676 126.4144 54.4501 41.9273 177.6390 139 D 4.5730 8.5798 121.4335 55.4777 40.0935 179.1268 140 D 4.6400 7.9997 116.0647 57.2467 41.2134 176.9352 141 E 4.4050 7.9323 116.7285 56.4969 29.6120 175.7081 142 L 4.7603 7.4102 118.7629 52.9611 43.3614 175.9735 143 V 4.3287 8.8376 124.6262 61.3499 33.2963 174.8755 144 D 5.1549 8.8839 127.5145 52.4816 42.2632 175.2220 145 W 5.2296 8.6369 119.2450 54.7798 31.4469 174.3199 146 D 4.4513 8.6457 118.6998 52.2508 41.5252 176.5803 147 R 4.1430 7.5635 125.8320 55.5425 29.9366 176.4883 148 D 4.4237 8.9751 126.7844 57.4494 40.8452 178.4673 149 A 4.3365 8.0933 120.1782 54.5879 18.4039 179.4259 150 S 4.1391 8.4426 114.2374 61.1565 62.6874 176.2158 151 A 4.0410 8.0145 123.3927 54.0472 17.7149 178.7451 152 W 4.4218 7.7408 114.9894 57.4636 30.8061 178.0507 153 V 3.5961 7.5215 117.8484 64.1966 31.2233 175.7906 154 Y 4.8430 7.5457 115.9757 55.7473 41.1716 175.6672 155 E 3.8765 9.3531 128.2456 60.1352 29.8353 179.2792 156 D 4.4937 8.0390 115.3163 55.4646 40.1332 178.6922 157 L 4.1981 7.4790 115.7284 55.9169 42.1598 176.7719 158 A 4.2974 7.2685 125.7075 51.7301 18.1759 177.1340 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 D 8.36 4.40 0.00 2.71 2.58 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 0.00 0.00 0.00 4 H 8.32 4.26 0.00 3.00 3.02 0.00 5.86 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 D 7.99 4.56 0.00 2.63 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 6 E 7.98 4.10 0.00 2.03 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 2.40 2.37 0.00 7 R 8.57 5.03 0.00 1.71 1.80 0.00 3.20 0.00 0.00 3.13 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.74 0.00 8 T 8.74 4.81 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 1.35 0.00 0.00 9 F 8.65 5.23 0.00 3.23 2.96 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 10 V 7.88 4.67 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 0.85 0.00 0.00 0.96 0.00 0.00 11 M 8.42 4.91 0.00 1.78 1.37 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 2.43 2.46 0.00 12 V 8.86 4.29 2.27 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 0.97 0.00 0.00 1.11 0.00 0.00 13 K 8.84 4.52 0.00 2.06 1.61 0.00 2.12 0.00 0.00 1.98 0.00 0.00 3.06 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.53 1.65 7.81 14 P 0.00 4.48 0.00 1.76 1.95 0.00 2.82 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 15 D 8.33 4.61 0.00 2.98 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 16 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 17 V 7.75 3.71 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 1.32 0.00 0.00 1.14 0.00 0.00 18 Q 7.93 4.04 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.79 0.00 0.00 0.00 0.00 0.00 2.53 2.56 0.00 19 R 7.93 4.26 0.00 1.84 1.96 0.00 3.32 0.00 0.00 3.36 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 20 G 7.84 3.81 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 0.00 0.00 0.00 21 L 7.64 4.82 0.00 1.52 1.21 0.69 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.90 3.82 1.75 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 1.64 0.57 0.68 0.00 0.00 23 G 7.91 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.05 4.41 0.00 2.44 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 25 I 7.59 3.81 1.91 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 1.45 1.13 0.96 0.00 0.00 26 V 7.94 3.87 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 1.55 0.00 0.00 1.26 0.00 0.00 27 T 8.29 4.08 4.52 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 1.24 0.00 0.00 28 R 7.83 3.94 0.00 1.95 1.93 0.00 3.25 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 29 L 7.53 3.77 0.00 0.74 0.13 -0.12 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.49 4.39 0.00 2.42 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 2.65 2.47 0.00 31 T 7.81 4.05 4.41 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 1.20 0.00 0.00 32 K 7.47 4.13 0.00 1.78 1.92 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.45 7.81 33 G 7.81 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.24 4.51 0.00 1.64 1.83 0.75 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 35 K 9.02 4.83 0.00 1.73 1.73 0.00 0.61 0.00 0.00 0.87 0.00 0.00 2.50 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.18 0.97 7.81 36 M 8.89 3.91 0.00 1.76 0.57 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.21 0.00 37 V 8.61 4.64 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 0.84 0.00 0.00 0.89 0.00 0.00 38 G 7.22 3.90 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 0.00 0.00 0.00 39 G 8.56 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 0.00 0.00 0.00 0.00 40 K 8.21 4.63 0.00 1.88 1.48 0.00 1.53 0.00 0.00 1.53 0.00 0.00 2.62 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.38 7.81 41 F 9.20 5.46 0.00 3.18 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 M 7.85 4.57 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 43 R 8.37 4.72 0.00 1.70 1.74 0.00 3.19 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.55 0.00 44 I 8.25 4.13 2.02 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 1.66 0.74 0.90 0.00 0.00 45 D 8.32 4.52 0.00 2.76 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 46 E 8.72 3.91 0.00 1.95 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 2.37 2.37 0.00 47 E 8.01 3.88 0.00 2.09 1.94 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 2.39 2.37 0.00 48 L 7.73 3.69 0.00 1.51 1.47 0.29 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 49 A 7.64 3.99 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 50 H 8.23 4.39 0.00 3.36 3.52 0.00 5.68 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.19 4.10 0.00 2.09 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 2.26 2.28 0.00 52 H 7.90 4.47 0.00 3.03 3.26 0.00 5.81 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 53 Y 7.93 4.82 0.00 3.18 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 54 A 8.58 4.12 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 55 E 7.62 4.08 0.00 2.01 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 2.23 1.96 0.00 56 H 7.43 4.96 0.00 3.43 3.26 0.00 5.67 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *62 F 8.56 4.58 0.00 3.31 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.18 4.66 0.00 2.83 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 64 G 7.98 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 65 L 7.88 3.87 0.00 1.47 1.09 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.27 3.47 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 0.95 0.00 0.00 0.35 0.00 0.00 67 S 7.44 4.12 0.00 4.08 4.04 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 68 F 8.42 4.55 0.00 3.10 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 69 I 8.22 3.55 1.90 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 1.62 1.17 0.96 0.00 0.00 70 T 7.22 4.51 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 1.19 0.00 0.00 71 S 8.21 4.24 0.00 4.02 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 0.00 72 G 7.17 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 0.00 0.00 0.00 73 P 0.00 4.40 0.00 1.26 1.76 0.00 3.64 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.02 0.00 74 V 8.45 4.52 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 0.74 0.00 0.00 0.96 0.00 0.00 75 F 8.71 5.35 0.00 3.33 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.47 4.73 1.20 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 0.00 0.00 0.00 77 M 9.10 5.10 0.00 1.66 2.02 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.93 0.00 78 V 8.04 4.84 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.47 0.00 0.00 79 W 9.10 5.24 0.00 3.26 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 80 E 9.60 5.19 0.00 2.01 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 2.26 2.34 0.00 81 G 8.35 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 0.00 0.00 0.00 0.00 82 A 7.98 4.10 1.23 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 0.00 0.00 83 D 9.18 4.71 0.00 2.93 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 84 A 7.96 4.05 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 85 T 8.14 3.81 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 1.34 0.00 0.00 86 R 7.90 3.53 0.00 1.84 2.22 0.00 3.19 0.00 0.00 3.65 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.42 0.00 87 Q 8.16 3.94 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 88 V 8.00 3.52 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 0.93 0.00 0.00 0.85 0.00 0.00 89 R 7.92 3.92 0.00 1.97 2.00 0.00 3.37 0.00 0.00 3.46 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.93 0.00 90 Q 8.06 4.01 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.00 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 91 L 8.13 4.12 0.00 1.82 1.65 0.81 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 92 M 8.18 4.05 0.00 2.08 2.30 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.55 0.00 93 G 7.83 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 0.00 0.00 0.00 94 A 8.16 4.14 1.32 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 0.00 0.00 0.00 95 T 8.88 3.93 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 96 D 8.03 4.41 0.00 2.78 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 A 8.34 4.26 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 98 Q 8.19 4.04 0.00 2.34 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.00 0.00 0.00 0.00 0.00 0.00 2.55 2.37 0.00 99 D 8.01 4.56 0.00 2.69 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 0.00 100 A 7.26 4.27 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 A 8.27 4.26 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 0.00 102 P 0.00 4.46 0.00 2.01 1.96 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 103 G 9.11 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 T 7.68 4.36 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 1.26 0.00 0.00 105 I 8.37 3.76 1.94 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 1.59 1.11 1.11 0.00 0.00 106 R 8.19 4.11 0.00 1.99 2.01 0.00 3.35 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.83 0.00 107 G 7.71 3.77 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 0.00 0.00 0.00 108 D 8.15 4.39 0.00 1.96 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 0.00 0.00 0.00 0.00 109 Y 7.97 4.80 0.00 3.13 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 0.00 110 G 8.03 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 0.00 0.00 0.00 111 N 8.07 5.01 0.00 2.62 2.72 0.00 0.00 6.81 8.47 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 0.00 112 D 7.62 4.43 0.00 2.60 2.38 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 0.00 113 L 8.38 4.54 0.00 1.76 1.95 0.91 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.24 3.53 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 0.00 0.00 0.00 0.00 115 H 8.18 4.19 0.00 2.93 3.41 0.00 5.82 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 N 8.14 4.92 0.00 2.96 3.14 0.00 0.00 6.21 6.67 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 0.00 117 L 9.44 4.28 0.00 2.12 2.00 1.06 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 118 I 7.38 4.82 1.91 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 1.13 0.59 1.01 0.00 0.00 119 H 8.96 5.05 0.00 3.45 3.18 0.00 5.77 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 G 8.36 4.96 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 0.00 0.00 0.00 121 S 8.05 4.54 0.00 3.95 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 0.00 122 D 8.86 4.47 0.00 2.82 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 H 8.98 4.51 0.00 3.34 3.42 0.00 5.57 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 7.81 4.09 0.00 1.89 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 2.22 2.08 0.00 125 D 7.56 4.54 0.00 2.75 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 0.00 126 E 8.37 4.22 0.00 2.03 1.73 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 2.23 1.88 0.00 127 G 8.93 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 0.00 0.00 0.00 0.00 128 A 7.84 4.02 1.53 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 0.00 0.00 0.00 129 N 8.26 4.32 0.00 3.22 3.17 0.00 0.00 6.26 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 0.00 130 E 8.16 4.08 0.00 2.02 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 2.42 2.32 0.00 131 R 7.87 3.87 0.00 1.98 2.12 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 132 E 8.42 3.87 0.00 1.77 1.52 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 2.34 2.60 0.00 133 I 7.75 3.87 2.15 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 1.61 0.80 0.97 0.00 0.00 134 A 7.81 4.31 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 0.00 135 L 7.57 3.94 0.00 1.73 1.78 0.80 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 136 F 8.17 4.07 0.00 2.89 2.88 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 0.00 137 F 8.15 4.87 0.00 3.13 2.97 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 0.00 0.00 0.00 138 D 8.67 4.61 0.00 2.64 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.58 4.57 0.00 2.64 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 0.00 140 D 8.00 4.64 0.00 2.69 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 E 7.93 4.40 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 142 L 7.41 4.76 0.00 1.67 1.52 0.89 0.34 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 0.00 143 V 8.84 4.33 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 0.71 0.00 0.00 0.88 0.00 0.00 144 D 8.88 5.15 0.00 2.61 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 0.00 145 W 8.64 5.23 0.00 3.51 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 0.00 146 D 8.65 4.45 0.00 2.68 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 R 7.56 4.14 0.00 0.69 1.44 0.00 3.13 0.00 0.00 3.34 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.76 0.00 148 D 8.98 4.42 0.00 2.89 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 0.00 149 A 8.09 4.34 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 0.00 150 S 8.44 4.14 0.00 3.94 4.04 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 0.00 151 A 8.01 4.04 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 W 7.74 4.42 0.00 3.43 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 0.00 153 V 7.52 3.60 1.57 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 -0.40 0.00 0.00 0.84 0.00 0.00 154 Y 7.55 4.84 0.00 2.87 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.35 3.88 0.00 2.03 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 2.37 2.32 0.00 156 D 8.04 4.49 0.00 2.74 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 7.48 4.20 0.00 1.66 1.69 0.84 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 158 A 7.27 4.30 1.06 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.