NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4296 8.3049 120.3506 55.0687 33.3991 175.1360 2 L 4.0625 8.3353 126.2078 53.7885 42.7543 175.2583 3 K 4.1538 8.5917 122.0883 56.5216 34.2174 175.3602 4 Q 4.8197 8.8898 126.4140 54.8875 29.9183 174.4677 5 V 4.5966 8.6858 127.7088 61.2236 34.2105 173.8613 6 E 4.6780 9.0544 128.6240 54.8774 31.4411 174.5409 7 I 4.8779 8.1975 127.3477 59.4827 40.6456 174.2508 8 F 5.4143 9.2918 126.4846 55.9516 41.3630 174.9300 9 T 5.3298 8.4160 112.1177 60.6813 72.2040 172.3336 10 D 4.5859 8.5222 119.5802 53.9482 45.4281 174.7563 11 G 4.6487 8.9205 109.0656 44.5065 0.0000 171.8781 12 S 4.9371 9.3187 115.8838 56.6398 66.3771 172.8004 13 C 4.9408 8.2325 124.1339 59.2472 33.9956 173.6545 14 L 4.0602 8.7871 127.4007 55.3106 40.5428 174.7062 15 G 3.9806 8.6471 116.2768 44.8540 0.0000 171.0164 16 N 4.7333 8.6017 119.3442 50.7308 39.6202 173.1552 17 P 4.7046 0.0000 0.0000 60.6529 33.7109 174.4762 18 G 3.8514 7.5630 104.2810 44.8465 0.0000 169.6345 19 P 4.8054 0.0000 0.0000 62.7190 32.5569 176.1157 20 G 4.0862 8.9915 109.2742 46.0827 0.0000 171.4102 21 G 4.6934 9.1525 106.6235 45.5948 0.0000 171.7408 22 Y 5.5137 8.4723 117.7224 55.0415 41.9841 174.8131 23 G 4.6575 9.4384 106.7033 44.7320 0.0000 171.4509 24 A 5.4879 9.4511 124.8181 50.3638 23.3513 174.9716 25 I 5.0266 9.3291 122.0933 59.5751 40.9048 174.5171 26 L 5.2877 9.3202 127.1820 53.1372 44.4778 175.6339 27 R 5.2273 9.1483 122.7996 54.9915 33.6699 173.2401 28 Y 4.8892 8.7714 127.3681 56.5136 42.2346 174.4250 29 R 3.4172 9.2772 127.1097 57.2411 28.5985 177.1372 30 G 4.1705 8.4418 107.1158 45.3907 0.0000 175.4390 31 R 4.1190 7.6158 118.0714 56.0905 30.6793 175.2647 32 E 5.4138 8.4712 119.9219 54.6862 33.1770 175.5250 33 K 4.5659 8.8775 120.2134 55.1231 36.4662 175.6113 34 T 5.0315 8.1135 120.0400 61.8524 71.9176 173.4280 35 F 5.2056 8.9481 122.2086 56.3349 43.6849 173.7578 36 S 4.7918 8.8110 114.0341 58.7473 65.3730 173.9082 37 A 4.2541 6.8844 120.2743 51.1146 22.4255 175.3120 38 G 4.4448 8.1894 106.2877 44.5551 0.0000 171.5166 39 Y 5.2836 9.3427 120.1387 55.9237 41.0012 176.9849 40 T 3.9153 8.9710 113.7814 64.5345 70.0788 174.2234 41 R 4.6147 7.7383 122.2744 55.2324 32.7531 173.6160 42 T 4.0753 8.3749 122.7263 61.6861 71.1788 172.0257 43 T 4.9741 8.2003 108.5359 59.0742 72.4908 174.0097 44 N 4.2212 10.4171 121.0929 57.2593 38.9657 176.6460 45 N 4.2910 8.0580 117.0623 56.5592 38.4486 177.4947 46 R 3.9475 7.8736 118.8493 59.4241 30.1301 179.0246 47 M 4.1180 8.0396 118.4349 58.2575 31.4959 178.6448 48 E 4.1151 8.3406 118.9847 59.2982 29.6219 179.3710 49 L 3.7785 7.8876 118.9682 57.7706 41.6529 179.0721 50 M 3.8098 8.2509 118.3958 58.3511 32.0861 178.0680 51 A 3.6736 7.9932 120.7453 55.0753 18.5628 179.5376 52 A 3.9631 7.5584 118.9397 55.1439 18.3686 179.8960 53 I 3.5583 7.6612 118.3011 64.6218 37.1209 178.8112 54 V 3.3278 7.8597 119.1120 65.7323 31.0200 177.9256 55 A 3.9006 7.5806 119.5004 55.1625 18.5869 179.3255 56 L 3.9646 7.8925 117.5039 57.9772 41.5238 179.5728 57 E 4.0573 8.1921 116.8142 58.5641 29.3933 178.7244 58 A 4.0517 7.2252 120.3435 53.0704 18.6322 177.6102 59 L 4.1373 7.1840 118.3906 54.6132 42.0777 177.3389 60 K 4.2660 8.5898 122.6187 56.9697 32.7947 176.1290 61 E 4.6757 7.6135 115.0853 53.9229 32.6895 174.7902 62 H 4.5905 8.3796 116.8808 55.8761 29.3044 174.6154 63 C 4.9458 8.9381 119.3403 57.9719 33.3310 172.2696 64 E 4.8085 8.7028 119.4300 55.1963 30.7460 175.7222 65 V 4.5729 9.0324 125.3011 61.0064 34.5804 174.2583 66 I 4.3877 8.4522 128.9971 59.2300 38.7979 173.1991 67 L 4.3103 7.9362 131.7498 53.8849 43.1650 174.8613 68 S 5.1826 8.8846 122.8056 56.8726 64.5329 172.6782 69 T 5.0369 8.7042 120.1793 60.6674 71.2801 173.1532 70 D 5.2215 8.6115 124.9757 52.4364 40.2307 176.8725 71 S 4.7462 7.6532 114.5583 58.2020 64.3622 173.2892 72 Q 3.8928 8.6495 128.5379 58.8304 28.6458 177.8911 73 Y 4.2151 7.9730 120.2598 60.8451 39.0359 178.1310 74 V 3.5910 7.9410 119.1851 65.7332 31.6298 177.8498 75 R 2.0000 7.4320 118.3680 58.7414 29.7290 178.2433 76 Q 3.3086 7.8506 119.5853 58.7782 28.8933 178.4946 77 G 2.5371 7.1203 106.5085 47.3295 0.0000 175.8485 78 I 3.5454 7.4082 121.8382 63.9328 37.2913 178.0562 79 T 4.0706 7.5068 108.0813 62.7313 69.0539 175.2618 80 Q 4.1353 7.2386 118.7167 55.8114 31.5124 176.7049 81 W 4.0815 6.5683 115.9604 57.1674 30.5890 177.5652 82 I 3.3653 6.9445 119.1831 64.4050 37.2630 176.9919 83 H 3.9063 7.9050 117.9534 59.4477 29.7500 176.7276 84 N 4.2222 7.8556 117.5563 55.9271 38.3976 177.0223 85 W 4.5168 7.8986 120.4244 59.8895 29.1777 178.3923 86 K 2.4895 7.2638 117.6773 59.2806 31.2792 179.0956 87 A 3.9418 7.4040 119.0494 54.4720 17.1936 178.5909 88 R 4.5658 7.9020 116.0099 55.7928 31.4426 176.7968 89 G 4.0748 8.4963 104.5001 46.4730 0.0000 174.3595 90 W 3.4753 8.0936 114.1656 56.8003 26.2798 173.9494 91 K 4.6808 7.5736 116.5629 54.8660 36.5329 177.0409 92 T 4.4170 8.2477 111.6034 60.7182 70.0024 175.5347 93 A 4.5509 8.3765 122.9820 52.0958 17.7395 176.7966 94 D 4.5487 8.6651 115.0150 56.0623 41.4140 177.4190 95 K 3.6128 8.4493 114.4829 58.2825 29.2650 173.6255 96 K 4.2258 7.8492 115.9541 54.4022 35.9139 172.9545 97 P 4.5063 0.0000 0.0000 63.0242 31.8699 176.4295 98 V 3.6284 7.9886 115.8980 60.2722 32.2804 175.9713 99 K 3.9980 8.3529 123.6446 57.9478 32.5783 176.3819 100 N 4.4285 9.0332 118.8784 54.2263 36.3682 176.6048 101 V 3.6462 7.5151 121.9145 65.0616 30.8219 177.3770 102 D 4.1918 7.9565 119.0293 56.5151 39.1944 178.6127 103 L 3.8993 7.7243 120.3371 56.8694 41.6794 179.3002 104 W 4.3377 8.2194 119.0270 59.8895 28.9396 178.6106 105 Q 3.4174 7.9429 118.0936 58.6171 28.0160 178.7643 106 R 3.8229 7.7099 119.2875 59.2259 30.0683 178.3500 107 L 3.9710 8.3741 120.6063 58.2046 42.0094 178.2655 108 D 4.5747 8.8657 118.2566 57.4653 40.9554 178.1351 109 A 4.0555 8.1287 119.9141 55.3136 18.8536 179.2280 110 A 4.1138 8.1114 119.2759 55.2654 18.2967 179.8883 111 L 4.1916 8.4603 117.8585 57.5911 41.4987 179.1644 112 G 3.9257 7.8233 103.4701 45.9449 0.0000 174.5344 113 Q 4.4726 7.8537 119.4402 55.7131 29.1136 174.0903 114 H 5.0476 7.4399 115.9582 54.4043 33.9886 172.7254 115 Q 4.4390 8.9764 118.9500 55.0651 29.7198 175.1606 116 I 4.6225 8.2709 125.1539 59.2641 39.7706 175.4438 117 K 4.3704 8.5228 127.0085 54.3523 34.7988 175.0335 118 W 4.3418 8.6596 127.8026 56.0249 30.2768 176.0500 119 E 4.2247 8.6699 124.8986 53.9149 31.4690 174.4989 120 W 5.1509 8.2792 127.5759 56.6720 29.4210 176.6413 121 V 4.5189 8.8066 118.4302 59.6998 34.5181 174.8228 122 K 4.6117 8.2089 119.6703 54.3009 35.6407 177.7318 123 G 3.6921 8.6810 107.7570 46.8254 0.0000 173.3574 124 A 3.8840 7.6687 123.0959 52.3912 18.4168 177.1196 125 A 3.9327 8.5017 125.3248 53.9121 19.0586 176.6742 126 G 4.0974 8.6607 109.2498 45.9445 0.0000 174.7168 127 H 4.9143 7.9677 115.8102 52.6934 29.4189 172.2576 128 P 4.2389 0.0000 0.0000 65.4133 31.6272 178.1933 129 E 3.7243 7.6942 117.0289 59.3887 29.2414 179.0134 130 N 4.4462 7.9326 115.9495 56.1902 38.6719 177.1936 131 E 4.0813 7.9468 119.7208 59.2216 29.5565 179.4615 132 R 3.9833 7.9713 118.3701 59.2680 30.0354 178.7943 133 C 4.2556 8.3098 116.9257 62.8304 28.1062 175.8572 134 D 4.3916 8.1560 120.5253 57.3346 40.3536 178.5410 135 E 3.9582 8.1866 119.0459 59.4940 29.4350 179.4402 136 L 3.9391 7.9953 118.5702 57.7979 41.7015 179.5481 137 A 4.0825 8.2199 120.7086 55.2061 18.4030 179.9535 138 R 3.8605 8.5488 116.7997 59.3353 29.9384 179.1351 139 A 3.9802 8.0194 119.3339 55.0484 18.6391 179.2013 140 A 3.9946 8.2566 119.2355 55.3142 18.2457 179.7536 141 A 4.1187 7.9250 118.0876 55.4620 18.5286 179.2654 142 M 4.2472 7.6171 114.9398 56.8973 33.1678 176.4968 143 N 4.9672 7.9612 117.8934 51.0798 39.6074 172.7745 144 P 4.2901 0.0000 0.0000 63.7192 32.0322 176.6499 145 T 4.4938 8.2451 109.3179 60.8985 70.0092 173.1132 146 L 4.7464 7.3259 121.3513 52.8806 45.3857 174.3302 147 E 4.9214 8.4894 120.0588 54.6495 31.7057 176.0559 148 D 4.7266 8.5519 126.1367 52.5661 39.8619 175.8023 149 T 3.8301 8.4098 118.2025 64.6268 67.5522 174.7827 150 G 3.9484 7.9952 106.2512 45.2004 0.0000 172.7735 151 Y 4.1991 8.1344 122.7285 57.3122 39.1986 174.7422 152 Q 4.2804 7.6358 125.5263 53.3563 31.8002 175.6400 153 V 3.5223 8.0971 120.3715 63.3037 31.4227 175.5605 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 1 M 8.30 4.43 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 2 L 8.34 4.06 0.00 1.92 1.56 0.91 0.68 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 3 K 8.59 4.15 0.00 1.34 0.78 0.00 0.68 0.00 0.00 1.55 0.00 0.00 2.52 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.39 1.26 7.81 4 Q 8.89 4.82 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.73 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 5 V 8.69 4.60 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 1.01 0.00 0.00 0.75 0.00 0.00 6 E 9.05 4.68 0.00 2.21 1.76 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 1.85 2.17 0.00 7 I 8.20 4.88 1.63 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 1.18 0.70 0.84 0.00 0.00 8 F 9.29 5.41 0.00 2.99 2.98 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 9 T 8.42 5.33 4.36 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 1.28 0.00 0.00 10 D 8.52 4.59 0.00 2.87 2.64 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 11 G 8.92 4.65 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 0.00 0.00 0.00 12 S 9.32 4.94 0.00 3.85 3.69 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 13 C 8.23 4.94 0.00 2.98 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 14 L 8.79 4.06 0.00 1.56 1.64 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.65 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 0.00 0.00 0.00 16 N 8.60 4.73 0.00 2.71 2.77 0.00 0.00 6.93 8.02 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 17 P 0.00 4.70 0.00 1.86 2.12 0.00 3.96 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 1.95 2.15 0.00 18 G 7.56 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 0.00 0.00 0.00 19 P 0.00 4.81 0.00 2.08 1.98 0.00 3.88 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 2.10 2.05 0.00 20 G 8.99 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 0.00 0.00 0.00 21 G 9.15 4.69 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 0.00 0.00 0.00 22 Y 8.47 5.51 0.00 3.14 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 9.44 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 9.45 5.49 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 25 I 9.33 5.03 2.10 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 1.27 0.91 1.03 0.00 0.00 26 L 9.32 5.29 0.00 1.67 1.63 1.24 0.67 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 27 R 9.15 5.23 0.00 2.02 1.85 0.00 3.12 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 28 Y 8.77 4.89 0.00 2.92 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 29 R 9.28 3.42 0.00 0.85 1.55 0.00 2.86 0.00 0.00 2.89 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.43 0.00 30 G 8.44 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.62 4.12 0.00 2.13 1.89 0.00 3.10 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 32 E 8.47 5.41 0.00 1.80 1.81 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 2.37 2.32 0.00 33 K 8.88 4.57 0.00 1.65 1.39 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.42 7.81 34 T 8.11 5.03 4.10 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 1.18 0.00 0.00 35 F 8.95 5.21 0.00 3.14 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 36 S 8.81 4.79 0.00 3.75 3.74 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 37 A 6.88 4.25 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.19 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 0.00 0.00 0.00 0.00 39 Y 9.34 5.28 0.00 2.87 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 40 T 8.97 3.92 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 41 R 7.74 4.61 0.00 1.72 1.71 0.00 3.28 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.43 0.00 42 T 8.37 4.08 4.11 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 1.21 0.00 0.00 43 T 8.20 4.97 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 1.35 0.00 0.00 44 N 10.42 4.22 0.00 2.71 2.87 0.00 0.00 7.59 6.59 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 45 N 8.06 4.29 0.00 2.47 2.04 0.00 0.00 7.03 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 46 R 7.87 3.95 0.00 1.95 1.89 0.00 3.35 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 47 M 8.04 4.12 0.00 2.35 2.27 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.82 0.00 48 E 8.34 4.12 0.00 2.30 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 0.00 2.42 2.69 0.00 49 L 7.89 3.78 0.00 1.74 1.42 0.21 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 50 M 8.25 3.81 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.49 0.00 51 A 7.99 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.56 3.96 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 53 I 7.66 3.56 1.86 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 1.35 0.79 0.84 0.00 0.00 54 V 7.86 3.33 1.67 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 0.78 0.00 0.00 0.64 0.00 0.00 55 A 7.58 3.90 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 56 L 7.89 3.96 0.00 1.79 1.69 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.19 4.06 0.00 1.79 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 2.30 2.52 0.00 58 A 7.23 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.18 4.14 0.00 1.71 1.57 0.60 0.82 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 60 K 8.59 4.27 0.00 1.72 1.83 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.16 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.36 7.81 61 E 7.61 4.68 0.00 1.96 1.82 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 2.09 2.23 0.00 62 H 8.38 4.59 0.00 3.03 3.26 0.00 5.89 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 8.94 4.95 0.00 2.72 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 64 E 8.70 4.81 0.00 1.90 1.83 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 2.23 2.22 0.00 65 V 9.03 4.57 1.84 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 0.73 0.00 0.00 0.71 0.00 0.00 66 I 8.45 4.39 1.73 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.13 0.80 0.00 0.00 67 L 7.94 4.31 0.00 0.82 0.43 0.18 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.88 5.18 0.00 3.70 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 69 T 8.70 5.04 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 1.70 0.00 0.00 70 D 8.61 5.22 0.00 2.99 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 7.65 4.75 0.00 4.20 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 72 Q 8.65 3.89 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.35 0.00 73 Y 7.97 4.22 0.00 3.11 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 74 V 7.94 3.59 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 0.80 0.00 0.00 1.00 0.00 0.00 75 R 7.43 2.00 0.00 0.71 1.34 0.00 2.62 0.00 0.00 2.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 76 Q 7.85 3.31 0.00 1.87 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 1.41 1.95 0.00 77 G 7.12 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.41 3.55 1.51 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 -0.00 0.68 0.00 0.00 79 T 7.51 4.07 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 1.15 0.00 0.00 80 Q 7.24 4.14 0.00 1.07 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.01 1.84 0.00 81 W 6.57 4.08 0.00 1.78 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 0.00 0.00 0.00 82 I 6.94 3.37 1.66 0.00 0.00 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 1.58 1.29 0.81 0.00 0.00 83 H 7.90 3.91 0.00 3.19 3.17 0.00 5.92 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 84 N 7.86 4.22 0.00 2.76 2.78 0.00 0.00 7.03 7.68 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 85 W 7.90 4.52 0.00 3.20 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 86 K 7.26 2.49 0.00 1.62 1.53 0.00 1.97 0.00 0.00 1.57 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.69 1.08 7.81 87 A 7.40 3.94 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 88 R 7.90 4.57 0.00 1.96 1.91 0.00 3.29 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 1.55 1.66 0.00 89 G 8.50 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 90 W 8.09 3.48 0.00 3.44 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 91 K 7.57 4.68 0.00 1.94 1.63 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.63 7.81 92 T 8.25 4.42 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 1.13 0.00 0.00 93 A 8.38 4.55 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 94 D 8.67 4.55 0.00 2.66 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 95 K 8.45 3.61 0.00 1.83 1.82 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.34 7.81 96 K 7.85 4.23 0.00 1.82 1.53 0.00 1.62 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.23 1.43 7.81 97 P 0.00 4.51 0.00 2.02 1.94 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 98 V 7.99 3.63 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 0.00 0.00 -0.14 0.00 0.00 0.65 0.00 0.00 99 K 8.35 4.00 0.00 1.89 1.84 0.00 1.90 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 100 N 9.03 4.43 0.00 3.20 2.92 0.00 0.00 6.86 7.68 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 0.00 101 V 7.52 3.65 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.74 0.00 0.00 102 D 7.96 4.19 0.00 2.82 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 0.00 103 L 7.72 3.90 0.00 1.61 1.54 0.81 0.85 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 0.00 104 W 8.22 4.34 0.00 3.38 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 0.00 105 Q 7.94 3.42 0.00 1.91 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 106 R 7.71 3.82 0.00 1.99 1.97 0.00 3.04 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.59 0.00 107 L 8.37 3.97 0.00 1.80 1.96 1.08 1.21 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 0.00 108 D 8.87 4.57 0.00 3.28 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 0.00 109 A 8.13 4.06 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 0.00 110 A 8.11 4.11 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 0.00 111 L 8.46 4.19 0.00 2.04 1.88 1.38 0.89 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 0.00 112 G 7.82 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 0.00 113 Q 7.85 4.47 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.54 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 114 H 7.44 5.05 0.00 2.89 3.35 0.00 5.64 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.98 4.44 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 116 I 8.27 4.62 1.82 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.81 0.31 0.00 0.00 117 K 8.52 4.37 0.00 1.68 1.48 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.19 1.31 7.81 118 W 8.66 4.34 0.00 2.65 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 0.00 0.00 0.00 119 E 8.67 4.22 0.00 1.83 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 120 W 8.28 5.15 0.00 3.27 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 0.00 121 V 8.81 4.52 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.02 0.00 0.00 122 K 8.21 4.61 0.00 1.78 1.70 0.00 1.72 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.38 7.81 123 G 8.68 3.69 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 0.00 0.00 0.00 124 A 7.67 3.88 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 0.00 125 A 8.50 3.93 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 0.00 126 G 8.66 4.10 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 0.00 127 H 7.97 4.91 0.00 3.23 3.48 0.00 5.82 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 0.00 128 P 0.00 4.24 0.00 2.04 2.03 0.00 3.48 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 129 E 7.69 3.72 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.99 0.00 130 N 7.93 4.45 0.00 2.88 2.96 0.00 0.00 7.15 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 0.00 131 E 7.95 4.08 0.00 2.14 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 2.62 0.00 132 R 7.97 3.98 0.00 2.02 1.95 0.00 3.07 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 133 C 8.31 4.26 0.00 3.24 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 0.00 134 D 8.16 4.39 0.00 2.96 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 0.00 135 E 8.19 3.96 0.00 2.23 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 2.33 2.54 0.00 136 L 8.00 3.94 0.00 1.89 1.71 0.94 0.59 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 0.00 137 A 8.22 4.08 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 0.00 138 R 8.55 3.86 0.00 1.96 1.99 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 139 A 8.02 3.98 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 0.00 140 A 8.26 3.99 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 0.00 141 A 7.92 4.12 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 0.00 142 M 7.62 4.25 0.00 2.01 2.26 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 2.63 2.95 0.00 143 N 7.96 4.97 0.00 2.60 2.64 0.00 0.00 7.14 7.27 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 0.00 144 P 0.00 4.29 0.00 2.22 2.15 0.00 3.74 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 1.97 1.96 0.00 145 T 8.25 4.49 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 146 L 7.33 4.75 0.00 0.94 1.33 0.57 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.49 4.92 0.00 1.94 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 148 D 8.55 4.73 0.00 2.64 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 0.00 149 T 8.41 3.83 4.29 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 1.24 0.00 0.00 150 G 8.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.13 4.20 0.00 3.08 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 0.00 152 Q 7.64 4.28 0.00 1.82 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 153 V 8.10 3.52 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 0.73 0.00 0.00 0.91 0.00 0.00