NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4249 8.3044 118.1959 55.0709 32.5347 174.3191 1 V 4.2072 7.9889 118.9815 60.6162 34.0022 173.7508 2 L 4.2748 8.3384 127.7824 54.0038 43.5013 176.9780 3 S 4.5252 8.6782 117.7606 57.7310 65.3952 175.1688 4 E 4.3119 8.7720 121.7955 59.3465 29.3378 178.7123 5 G 3.6706 8.1094 105.4795 47.7061 0.0000 175.4263 6 E 3.8694 8.0293 120.3281 59.0985 29.5271 179.3596 7 W 4.3634 7.9170 118.8665 59.8767 29.0740 178.5997 8 Q 4.0935 8.4132 117.9220 59.1648 28.2685 178.8266 9 L 4.0946 7.9385 119.8841 57.8323 41.6077 179.9119 10 V 3.7868 7.8498 118.2274 65.8889 31.6506 177.7608 11 L 4.4332 8.7678 117.8676 56.7133 41.3482 178.6551 12 H 4.3256 8.3961 119.5085 59.0607 29.9360 177.3828 13 V 3.6890 7.9092 120.4573 64.1298 31.3793 178.1509 14 W 3.9329 8.5125 129.0807 60.2567 30.2690 177.7334 15 A 3.9497 7.8962 119.7985 54.7590 18.0969 179.6420 16 K 3.9112 7.2574 117.2437 59.4862 32.1652 179.3314 17 V 2.8006 7.1315 118.4448 66.0150 30.9931 177.6868 18 E 3.8590 7.5705 115.3877 58.0899 29.2776 178.4850 19 A 4.2046 7.4237 120.2178 53.5696 19.9469 177.5534 20 D 4.6510 7.8947 116.8626 51.8261 42.3433 175.4491 21 V 3.4414 7.9134 123.3419 65.7969 32.1013 176.7879 22 A 4.0706 8.0043 120.0846 54.9977 18.2336 179.7159 23 G 3.6605 8.3694 105.6009 47.7113 0.0000 175.7224 24 H 4.1052 8.2452 119.0730 58.4102 28.7319 177.9479 25 G 3.7163 8.3462 107.8781 48.0407 0.0000 175.4003 26 Q 3.8606 8.0330 120.2788 58.7985 28.7992 178.4573 27 D 4.3466 7.9502 119.5603 57.6762 40.8944 179.3607 28 I 3.6460 7.6892 119.6782 64.5274 37.1216 178.6248 29 L 3.4503 7.6398 119.6394 57.4073 41.2611 179.7861 30 I 3.6804 7.6237 119.8081 64.2587 37.0858 178.0854 31 R 3.7791 7.8315 119.5788 59.4523 29.8026 177.9848 32 L 3.8815 7.7975 119.7547 58.4626 41.5896 179.0820 33 F 4.6813 8.1076 117.9465 60.4259 38.5361 178.0360 34 K 4.0302 8.4854 117.8270 59.5247 32.0085 179.2864 35 S 4.2908 8.2290 114.3526 60.5192 63.9477 174.8538 36 H 4.7291 8.3258 121.0856 52.4277 28.9396 172.3644 37 P 4.5699 0.0000 0.0000 64.1988 31.2757 177.5897 38 E 4.2560 8.2122 116.7943 59.4269 29.5381 179.0547 39 T 3.7218 8.2982 111.3722 64.4913 68.7602 176.2086 40 L 3.8211 8.0822 123.0964 57.8335 41.7533 178.5895 41 E 4.1670 7.8998 117.4591 58.5117 29.4399 178.5988 42 K 4.4032 8.1998 117.5047 56.7310 32.4450 176.5968 43 F 4.4794 8.0040 119.3060 55.7445 39.1577 176.3924 44 D 4.3626 8.4619 126.6173 56.6207 41.0392 178.1267 45 R 3.9339 7.6370 118.2927 57.8845 30.4945 176.6423 46 F 5.0411 7.0681 114.7122 58.0122 41.3200 178.2201 47 K 4.3437 8.4273 122.2850 59.5248 32.3276 176.8356 48 H 4.3655 8.2160 112.1549 57.1451 28.7996 175.5181 49 L 4.0575 7.4210 121.5457 55.1386 41.7111 176.9487 50 K 4.3190 9.5282 123.1257 57.1653 33.5631 176.6245 51 T 4.7271 7.2949 107.6913 59.0302 73.2991 174.0482 52 E 3.9924 8.5806 119.8242 58.7271 29.7251 178.2171 53 A 4.0369 7.8961 120.8034 54.9233 18.3340 179.2349 54 E 3.9098 7.9822 116.4550 59.7565 29.8751 179.0135 55 M 4.1262 8.0939 118.6779 58.5007 31.8412 178.8717 56 K 3.8793 8.1770 117.2937 59.2357 32.3436 178.3492 57 A 4.4740 7.4652 117.3038 51.3611 19.2153 177.0417 58 S 4.2727 7.5317 114.3197 57.3098 62.7550 174.3875 59 E 3.9414 8.9161 129.2069 59.3706 29.5142 178.1360 60 D 4.4366 8.1240 118.4623 57.4438 41.0506 178.2181 61 L 3.0456 7.7653 120.6621 57.8808 41.7681 179.0159 62 K 3.8892 7.8328 119.0224 59.4271 32.1584 178.9282 63 K 3.9931 8.2444 119.0276 59.7914 31.8734 178.8412 64 H 4.3610 8.5900 118.7126 59.1246 29.7205 177.5616 65 G 3.5770 8.2503 107.6964 47.5959 0.0000 175.9434 66 V 3.5972 7.5215 120.6399 66.0519 31.6006 178.0710 67 T 3.8494 7.8820 115.2767 66.6766 68.3716 176.1485 68 A 4.0235 8.1442 122.5590 55.4400 18.3820 179.7251 69 L 4.1380 8.2469 117.5913 58.1854 41.6812 179.7990 70 T 3.9467 8.3018 115.7390 66.6571 68.2759 176.3035 71 A 3.9961 7.9587 122.4175 55.0947 18.3272 179.3579 72 L 3.7380 8.0012 118.8600 58.2174 42.1556 179.2879 73 G 3.4582 8.4378 105.6540 47.9038 0.0000 175.4189 74 A 4.0987 7.8602 121.6630 54.3480 18.7084 179.4691 75 I 3.8839 7.2142 118.8922 64.3450 37.3353 178.4438 76 L 4.0058 7.9002 120.1372 57.5390 41.1727 179.5419 77 K 4.0073 7.7316 117.2326 58.5944 32.2343 179.0940 78 K 3.9070 7.8826 118.6273 56.6258 32.0821 176.9351 79 K 2.0000 8.0838 117.5267 56.4621 29.6398 176.0919 80 G 4.0252 8.0736 107.1429 45.8113 0.0000 174.5590 81 H 4.4988 7.3792 118.9286 54.7698 27.2256 174.5938 82 H 5.1547 7.5790 112.1982 53.8111 29.5553 176.1562 83 E 3.9839 8.5489 120.9905 60.3334 28.6465 178.9869 84 A 4.0161 7.9019 119.8573 54.9430 18.6322 178.9441 85 E 4.0744 8.1897 116.6472 59.5058 29.5875 179.2158 86 L 4.0940 8.2613 120.3127 57.8180 42.0597 178.7043 87 K 3.9648 7.8408 118.8548 59.1076 32.0453 177.3662 88 P 4.3487 0.0000 0.0000 65.6352 31.2376 178.0218 89 L 4.1229 7.4961 120.2572 57.7109 41.9943 178.4783 90 A 4.3104 8.2802 120.8639 54.7599 18.4116 179.4464 91 Q 3.8716 8.1940 118.7582 59.3083 29.0846 178.4488 92 S 4.0549 8.1304 115.4007 61.6362 63.1302 176.1881 93 H 4.0772 8.5135 119.6362 58.2801 28.0577 177.5690 94 A 2.6606 8.0892 122.7668 54.1101 17.9738 179.1815 95 T 3.9233 7.3601 112.4215 64.4516 69.6420 176.0179 96 K 4.0764 7.4619 119.9502 58.6609 32.9700 177.0876 97 H 4.3328 7.9036 114.6651 56.3448 29.3364 174.5407 98 K 3.3512 7.4675 116.9578 56.3975 27.8962 174.1166 99 I 4.4036 8.0994 119.3389 58.3054 39.0911 174.6423 100 P 4.6727 0.0000 0.0000 62.4295 32.2901 177.2369 101 I 3.5835 8.8031 121.1140 64.7815 36.9908 178.1899 102 K 3.5888 8.0631 119.5893 60.1384 31.7213 178.0179 103 Y 4.1526 8.0056 116.6491 60.8658 37.7917 178.1472 104 L 4.2551 7.8826 119.4602 57.4413 41.7323 179.2294 105 E 4.0342 7.9384 118.6819 59.3074 29.4287 179.0524 106 F 4.4824 7.8359 117.8325 60.9303 38.9156 177.6789 107 I 3.8567 8.1315 118.0660 64.0184 37.7615 177.9602 108 S 4.1940 8.3340 116.3547 61.6285 62.6676 176.3208 109 E 4.0290 8.4256 121.7549 59.2422 29.4295 178.7355 110 A 4.0623 8.0559 120.8925 55.0604 18.3322 179.7230 111 I 3.6964 8.1209 118.5575 64.7775 37.1949 178.7674 112 I 3.8234 7.9275 120.5753 64.4605 36.8510 178.1298 113 H 4.1063 8.4252 119.2328 59.2580 29.6960 177.5696 114 V 3.5465 7.9067 120.0237 65.9707 31.3493 177.9081 115 L 3.7698 7.8987 118.8812 57.8593 41.0633 178.8929 116 H 4.3071 7.9125 117.1975 59.4713 29.8775 177.2226 117 S 4.1799 7.7531 115.4695 61.8211 62.8025 176.6372 118 R 4.0026 7.9564 119.3917 57.7469 31.3490 176.8346 119 H 5.0244 8.0165 114.9681 53.9672 28.9881 173.1266 120 P 4.3514 0.0000 0.0000 65.4594 32.0442 179.5583 121 G 3.6648 8.1223 107.0273 47.4530 0.0000 173.8602 122 N 5.0035 8.3068 115.2217 52.9401 39.1084 174.6667 123 F 4.9684 7.8241 119.9240 56.7935 39.7920 175.0112 124 G 3.8854 7.8490 107.8673 43.9192 0.0000 172.5200 125 A 3.8908 8.4214 120.6508 55.4320 18.3152 179.6910 126 D 4.2044 7.9657 116.5694 57.4679 40.8869 178.7751 127 A 3.9441 7.7547 120.8055 55.0161 18.3499 179.3206 128 Q 3.0478 7.9337 118.7101 58.7580 28.8917 178.6271 129 G 3.4776 8.0995 106.8263 47.5177 0.0000 175.6938 130 A 3.8639 8.0266 123.1726 54.9341 18.3257 179.4350 131 M 3.9556 8.2679 117.0521 58.7061 32.3463 177.8620 132 N 4.2832 8.4606 117.6054 56.6176 39.0831 176.4710 133 K 3.7733 8.2741 121.0380 59.6467 32.1994 178.4795 134 A 3.8234 8.0246 120.9761 55.1323 18.1580 179.6522 135 L 4.0894 8.1938 117.5935 57.7519 41.6314 179.4031 136 E 3.9610 8.6338 119.1289 59.3292 29.3687 178.7854 137 L 3.9276 8.1046 120.3023 58.2707 42.0617 178.4274 138 F 4.1481 8.4309 120.3050 61.8045 39.1873 177.5768 139 R 3.4638 8.3020 117.4012 58.9316 29.9140 178.9884 140 K 3.8203 8.2585 119.6880 59.6615 32.3263 178.6451 141 D 4.3325 8.2150 119.2212 57.2919 40.7201 178.8271 142 I 3.4485 7.7466 120.5511 64.1989 37.0152 178.3620 143 A 3.6746 7.8862 121.4978 54.9320 18.1290 179.5794 144 A 3.9861 7.8880 119.2685 55.1230 18.4433 180.0595 145 K 4.0248 7.9047 116.8673 59.6326 32.0076 179.1184 146 Y 4.3544 8.1640 117.2240 61.0790 37.8444 178.6360 147 K 4.0494 8.1712 120.4065 59.7418 32.1186 178.7504 148 E 4.0698 8.0560 117.5184 58.9357 29.4460 178.4480 149 L 4.3886 7.8125 116.7749 54.9449 42.0174 177.5624 150 G 4.0031 8.1586 107.6755 45.4407 0.0000 172.9190 151 Y 4.5356 8.2873 119.2979 58.3636 40.2925 175.8080 152 Q 4.0782 8.2086 118.5791 55.3757 30.5223 175.8070 153 G 3.9661 8.6218 111.1876 45.6774 0.0000 172.5790 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 M 8.30 4.42 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 1 V 7.99 4.21 2.10 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 0.89 0.00 0.00 0.96 0.00 0.00 2 L 8.34 4.27 0.00 1.04 0.75 0.64 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.68 4.53 0.00 4.06 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 4 E 8.77 4.31 0.00 2.20 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 2.43 2.51 0.00 5 G 8.11 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 6 E 8.03 3.87 0.00 1.95 1.71 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 2.21 2.26 0.00 7 W 7.92 4.36 0.00 3.54 3.20 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 8 Q 8.41 4.09 0.00 2.36 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.59 2.60 0.00 9 L 7.94 4.09 0.00 1.88 1.75 0.89 0.86 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 10 V 7.85 3.79 2.40 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 1.18 0.00 0.00 0.91 0.00 0.00 11 L 8.77 4.43 0.00 1.81 1.81 0.95 1.01 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 12 H 8.40 4.33 0.00 3.47 3.54 0.00 5.77 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.91 3.69 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 1.07 0.00 0.00 0.89 0.00 0.00 14 W 8.51 3.93 0.00 3.62 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 15 A 7.90 3.95 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 16 K 7.26 3.91 0.00 1.41 1.66 0.00 1.64 0.00 0.00 1.47 0.00 0.00 2.71 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.45 7.81 17 V 7.13 2.80 0.97 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 -0.09 0.00 0.00 0.44 0.00 0.00 18 E 7.57 3.86 0.00 1.83 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 2.18 2.06 0.00 19 A 7.42 4.20 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 20 D 7.89 4.65 0.00 2.69 2.52 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 21 V 7.91 3.44 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 1.05 0.00 0.00 0.82 0.00 0.00 22 A 8.00 4.07 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 23 G 8.37 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.25 4.11 0.00 3.12 3.25 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.35 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 26 Q 8.03 3.86 0.00 2.30 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.67 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 27 D 7.95 4.35 0.00 2.84 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 28 I 7.69 3.65 1.92 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 1.52 0.60 0.90 0.00 0.00 29 L 7.64 3.45 0.00 1.51 1.06 0.84 0.66 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 30 I 7.62 3.68 1.90 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.77 0.89 0.00 0.00 31 R 7.83 3.78 0.00 2.04 2.11 0.00 3.02 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 32 L 7.80 3.88 0.00 1.73 1.47 1.05 0.98 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 33 F 8.11 4.68 0.00 3.08 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 34 K 8.49 4.03 0.00 1.64 1.84 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.79 7.81 35 S 8.23 4.29 0.00 3.70 3.50 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 0.00 36 H 8.33 4.73 0.00 2.87 2.81 0.00 5.62 0.00 0.00 0.00 0.00 6.80 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 4.57 0.00 2.16 2.10 0.00 3.84 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.21 0.00 38 E 8.21 4.26 0.00 2.30 2.30 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 2.30 2.53 0.00 39 T 8.30 3.72 4.39 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 0.82 0.00 0.00 40 L 8.08 3.82 0.00 1.38 1.75 0.03 0.71 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 41 E 7.90 4.17 0.00 2.16 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 0.00 2.38 2.39 0.00 42 K 8.20 4.40 0.00 1.94 1.75 0.00 1.88 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.74 2.00 7.81 43 F 8.00 4.48 0.00 3.24 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 44 D 8.46 4.36 0.00 2.57 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.64 3.93 0.00 1.23 0.70 0.00 3.12 0.00 0.00 3.02 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 46 F 7.07 5.04 0.00 2.85 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 47 K 8.43 4.34 0.00 1.98 1.85 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.45 7.81 48 H 8.22 4.37 0.00 3.32 3.46 0.00 5.59 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.42 4.06 0.00 1.53 1.56 0.86 0.56 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 50 K 9.53 4.32 0.00 1.76 1.83 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.53 7.81 51 T 7.29 4.73 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 52 E 8.58 3.99 0.00 2.05 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 2.35 2.35 0.00 53 A 7.90 4.04 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 54 E 7.98 3.91 0.00 2.12 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 2.34 2.34 0.00 55 M 8.09 4.13 0.00 2.06 2.27 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 2.58 2.57 0.00 56 K 8.18 3.88 0.00 1.80 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.43 7.81 57 A 7.47 4.47 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 58 S 7.53 4.27 0.00 3.88 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 59 E 8.92 3.94 0.00 2.13 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 2.39 2.47 0.00 60 D 8.12 4.44 0.00 3.04 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 61 L 7.77 3.05 0.00 1.00 1.51 0.76 0.18 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 62 K 7.83 3.89 0.00 1.85 1.92 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.44 7.81 63 K 8.24 3.99 0.00 2.06 1.91 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.60 7.81 64 H 8.59 4.36 0.00 3.68 3.59 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.25 3.58 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 0.00 0.00 0.00 66 V 7.52 3.60 2.28 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 1.12 0.00 0.00 0.95 0.00 0.00 67 T 7.88 3.85 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 68 A 8.14 4.02 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 69 L 8.25 4.14 0.00 1.75 1.90 0.88 1.24 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 70 T 8.30 3.95 4.44 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 1.25 0.00 0.00 71 A 7.96 4.00 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 72 L 8.00 3.74 0.00 1.64 1.78 0.27 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.44 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.86 4.10 1.35 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 75 I 7.21 3.88 1.84 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 1.54 1.07 0.87 0.00 0.00 76 L 7.90 4.01 0.00 1.25 1.56 -0.15 0.86 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 77 K 7.73 4.01 0.00 1.67 1.81 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.48 1.51 7.81 78 K 7.88 3.91 0.00 1.89 1.77 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.58 1.84 7.81 79 K 8.08 2.00 0.00 1.36 0.74 0.00 1.49 0.00 0.00 1.45 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.30 0.64 7.81 80 G 8.07 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 0.00 0.00 0.00 81 H 7.38 4.50 0.00 3.20 3.23 0.00 5.60 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.58 5.15 0.00 3.31 3.42 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.55 3.98 0.00 2.20 2.32 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 2.39 2.36 0.00 84 A 7.90 4.02 1.33 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 85 E 8.19 4.07 0.00 2.25 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 2.41 2.44 0.00 86 L 8.26 4.09 0.00 2.02 1.69 0.98 0.44 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 87 K 7.84 3.96 0.00 2.02 1.84 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.63 7.81 88 P 0.00 4.35 0.00 2.30 2.34 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.05 0.00 89 L 7.50 4.12 0.00 1.88 1.90 0.97 1.23 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 90 A 8.28 4.31 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 0.00 0.00 91 Q 8.19 3.87 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 92 S 8.13 4.05 0.00 3.96 4.09 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 93 H 8.51 4.08 0.00 3.59 3.59 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.09 2.66 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.36 3.92 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 96 K 7.46 4.08 0.00 1.57 1.68 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.98 1.30 7.81 97 H 7.90 4.33 0.00 3.01 3.14 0.00 5.81 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 98 K 7.47 3.35 0.00 1.79 1.84 0.00 1.53 0.00 0.00 2.34 0.00 0.00 3.01 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.25 1.26 7.81 99 I 8.10 4.40 2.11 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 1.58 1.01 1.16 0.00 0.00 100 P 0.00 4.67 0.00 1.94 1.99 0.00 3.29 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 0.68 1.38 0.00 101 I 8.80 3.58 1.79 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.26 0.80 0.00 0.00 102 K 8.06 3.59 0.00 1.71 1.65 0.00 1.24 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 0.86 7.81 103 Y 8.01 4.15 0.00 3.21 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 0.00 104 L 7.88 4.26 0.00 1.82 1.79 0.70 1.15 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 0.00 105 E 7.94 4.03 0.00 2.12 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 0.00 2.33 2.30 0.00 106 F 7.84 4.48 0.00 3.20 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 0.00 107 I 8.13 3.86 2.02 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 1.09 0.00 0.00 108 S 8.33 4.19 0.00 4.22 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 0.00 109 E 8.43 4.03 0.00 2.30 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 2.38 2.41 0.00 110 A 8.06 4.06 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 0.00 111 I 8.12 3.70 2.11 0.00 0.00 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 1.63 0.71 1.04 0.00 0.00 112 I 7.93 3.82 2.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.85 1.12 0.00 0.00 113 H 8.43 4.11 0.00 3.41 3.50 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.91 3.55 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 1.01 0.00 0.00 0.99 0.00 0.00 115 L 7.90 3.77 0.00 0.37 0.68 0.78 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.91 4.31 0.00 3.44 3.63 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.75 4.18 0.00 3.90 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.96 4.00 0.00 1.48 1.62 0.00 3.11 0.00 0.00 2.93 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 119 H 8.02 5.02 0.00 3.22 3.22 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.35 0.00 2.21 2.26 0.00 3.74 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.92 0.00 121 G 8.12 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 N 8.31 5.00 0.00 2.81 2.95 0.00 0.00 6.68 6.97 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 0.00 123 F 7.82 4.97 0.00 2.94 3.01 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 0.00 124 G 7.85 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 0.00 0.00 0.00 125 A 8.42 3.89 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 0.00 126 D 7.97 4.20 0.00 2.65 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 0.00 127 A 7.75 3.94 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 0.00 128 Q 7.93 3.05 0.00 1.13 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 129 G 8.10 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 0.00 0.00 0.00 130 A 8.03 3.86 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 0.00 131 M 8.27 3.96 0.00 2.38 2.39 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.91 0.00 132 N 8.46 4.28 0.00 2.87 2.93 0.00 0.00 6.87 6.48 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 0.00 133 K 8.27 3.77 0.00 1.90 1.73 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.38 7.81 134 A 8.02 3.82 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 0.00 135 L 8.19 4.09 0.00 1.77 1.83 0.99 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.63 3.96 0.00 2.11 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 2.35 2.67 0.00 137 L 8.10 3.93 0.00 1.89 2.00 1.04 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.43 4.15 0.00 3.05 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 0.00 139 R 8.30 3.46 0.00 1.95 1.84 0.00 3.16 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.99 0.00 140 K 8.26 3.82 0.00 1.76 1.97 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.45 7.81 141 D 8.21 4.33 0.00 2.87 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 0.00 142 I 7.75 3.45 1.26 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 0.85 -0.23 0.15 0.00 0.00 143 A 7.89 3.67 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 0.00 144 A 7.89 3.99 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 0.00 145 K 7.90 4.02 0.00 2.01 1.95 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.64 7.81 146 Y 8.16 4.35 0.00 3.22 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.17 4.05 0.00 2.04 1.93 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.63 7.81 148 E 8.06 4.07 0.00 2.20 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 2.36 2.50 0.00 149 L 7.81 4.39 0.00 1.79 1.69 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.16 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 0.00 0.00 0.00 151 Y 8.29 4.54 0.00 2.51 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 0.00 152 Q 8.21 4.08 0.00 2.14 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.41 0.00 0.00 0.00 0.00 0.00 1.65 1.16 0.00 153 G 8.62 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