NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3197 8.0333 110.9601 61.1517 70.0870 172.9685 3 L 3.6359 8.4489 124.2554 54.1808 41.7136 175.9742 *4 H 4.3461 8.7933 123.4056 54.4439 29.1081 173.6584 5 K 4.1351 8.6598 127.2429 56.5228 31.8019 174.7500 6 E 4.2982 8.1699 116.7177 58.6437 29.6859 177.0623 7 R 4.8912 8.0422 116.3987 54.8632 30.3168 175.2823 8 R 3.9894 8.0756 116.7631 57.2709 30.4272 175.6815 9 I 3.3378 8.2694 124.6803 63.7574 38.2305 177.9157 10 G 3.5713 7.8698 106.1887 47.7835 0.0000 175.5361 11 R 3.8835 7.7998 120.6830 59.1460 30.2945 178.5112 12 L 3.8849 7.6622 118.8150 57.6913 41.0685 179.6498 13 S 4.0637 7.7957 113.9911 61.1008 62.8927 176.8622 14 V 3.6702 7.7189 121.8276 65.8301 31.0410 177.7275 15 L 3.9065 7.8114 118.7853 58.0236 41.2445 179.4760 16 L 3.9356 7.5105 118.4077 57.9280 42.0784 178.7614 17 L 4.1368 7.3991 118.1211 57.9873 41.7343 179.2922 18 L 3.9306 7.6407 117.3821 56.1759 41.7586 177.4792 19 N 4.5372 7.3871 118.8599 52.8920 39.0445 175.1392 20 E 3.9893 8.9289 120.1117 58.3871 30.9834 176.1909 21 A 3.3930 7.5358 125.3021 53.9944 18.0122 178.6359 *26 Q 4.2798 8.3385 110.5878 56.8591 30.0893 176.8081 27 V 3.7318 7.9606 114.9809 65.3752 31.6907 177.8172 28 E 4.3303 8.2145 121.6664 59.5947 29.4705 179.2386 29 E 4.0060 8.2538 117.8497 61.3606 29.5759 180.9836 30 L 4.5148 8.2903 119.3442 58.2324 41.9063 179.2015 31 E 4.5345 8.9723 122.3747 59.6072 29.2050 179.9978 32 R 4.1196 8.1311 121.4601 61.2582 29.4951 179.1140 33 D 4.7743 7.5922 114.2167 54.2623 41.5224 176.3491 34 G 3.4589 8.8007 106.5470 45.3450 0.0000 174.1542 35 W 5.4566 8.1923 119.9324 55.5379 34.0327 177.1548 36 K 4.4892 9.3793 129.2393 54.9798 32.2613 173.1529 37 V 4.9924 8.4560 118.2567 58.9630 35.1499 174.8925 38 C 4.7836 8.5435 123.1629 58.2910 35.1394 172.7521 39 L 5.1832 7.6861 124.4902 51.9065 45.7910 175.4652 40 G 3.5104 6.8487 108.4317 46.6738 0.0000 172.4430 41 K 5.4348 8.5776 122.2284 53.2929 35.8115 173.2063 42 V 4.3209 9.5824 124.1356 59.7337 34.3765 174.1979 43 G 4.4154 8.5697 113.4916 44.5676 0.0000 171.6180 44 S 4.7720 8.7671 119.3059 57.9113 66.6137 174.7707 45 M 4.5522 8.6251 118.3397 54.8412 31.6274 174.6225 46 D 4.9504 8.2446 121.4023 52.6562 42.5495 177.2609 47 A 3.9618 8.5932 126.8288 55.3382 18.4534 179.0272 48 H 4.2582 8.0923 113.2007 58.5682 28.8304 177.7591 49 K 4.0281 7.4814 120.9632 58.7354 31.3750 179.4897 50 V 3.5083 7.4693 118.5416 65.8931 31.5343 178.0192 51 I 3.5726 7.5240 119.0084 64.2316 36.9379 178.3171 52 A 3.9957 8.0914 121.4644 55.0863 18.3278 179.5939 53 A 3.9964 7.8481 118.8923 55.1457 18.3861 179.9999 54 I 3.0456 7.0957 117.9079 63.9811 37.0856 178.2215 55 E 3.8945 8.0743 120.2298 59.5155 29.5245 178.9408 56 T 3.8382 7.8654 115.5097 66.7957 68.5401 176.5745 57 A 4.1424 7.9956 122.1475 55.2537 18.5170 179.8045 58 S 4.2697 8.2980 113.6472 61.1461 62.6853 176.7118 59 K 4.1600 7.8896 120.5524 58.5358 32.1191 179.1707 60 K 4.3874 7.9438 118.3631 58.4788 33.1602 178.8813 61 S 4.6065 7.8826 118.6527 56.2275 63.2956 171.0180 62 G 4.1655 8.2887 121.9585 46.3350 0.0000 170.7200 63 V 3.9130 8.9776 122.9896 64.9276 32.5298 176.1327 64 I 4.5896 7.0850 110.3607 58.3765 39.8579 175.1916 65 Q 4.0809 8.4385 120.9096 56.2507 28.8604 177.0504 66 S 4.2595 8.8818 119.5719 60.3674 62.9421 174.0807 67 E 4.6569 8.1298 114.9450 55.1154 32.6576 181.6591 68 G 4.0943 8.8437 106.5035 46.0624 0.0000 172.8895 69 Y 4.7166 8.2607 117.0736 58.8671 39.3435 177.0489 70 R 3.7948 8.1253 121.9050 60.4299 30.1540 178.6020 71 E 3.8285 8.0500 117.0971 61.0404 30.0503 180.7051 72 S 4.4493 7.9849 115.0689 61.1763 62.8020 175.9890 73 H 4.1125 7.6373 120.9398 58.7890 29.5201 177.0377 74 A 3.9401 7.4593 122.3860 54.7541 18.1249 179.4204 75 L 3.9120 7.8434 118.7791 58.1819 42.1883 178.3908 76 Y 3.8750 7.8647 119.2889 61.1954 38.7908 177.9633 77 H 4.1487 8.7156 117.2125 58.5466 28.7281 177.8104 78 A 3.9662 7.8244 122.5575 55.4476 18.2189 179.8350 79 T 3.7034 7.9931 114.5413 66.9387 68.2629 176.6399 80 M 3.8788 7.6603 119.0654 58.5138 32.0059 177.8688 81 E 4.1651 8.1752 118.6615 59.3301 29.6677 179.1468 82 A 3.9126 7.9994 120.8383 54.9173 18.4590 179.6237 83 L 3.9847 8.3223 117.7213 57.7452 41.4926 179.3481 84 H 4.2615 7.9544 116.4310 58.7933 28.3910 177.9542 85 G 3.7022 7.9328 107.4704 47.0355 0.0000 175.5479 86 V 4.3297 7.9085 121.0069 65.0840 31.7395 177.5761 87 T 4.1115 7.8616 108.2546 62.9454 70.7221 174.7137 88 R 3.7244 8.6365 119.7318 54.0552 26.6371 173.6790 89 G 3.8108 7.2568 110.0182 44.2117 0.0000 171.3138 90 E 4.5236 7.6984 121.7337 53.7896 31.9461 177.4619 91 M 4.4001 8.3928 127.3181 54.4861 30.7110 175.3107 92 L 4.8117 7.2562 118.5705 53.0164 46.1906 174.8099 93 L 4.5310 7.7919 118.0647 55.4527 45.3941 178.8367 94 G 3.7155 8.2328 109.3289 49.0842 0.0000 175.3619 95 S 4.3547 8.0234 111.9655 59.4771 63.3855 174.4377 96 L 4.5642 7.5478 119.9776 53.8515 42.2303 175.7923 97 L 3.6386 7.7862 118.5205 55.9126 40.6614 173.8112 98 R 4.9817 8.2448 112.3137 54.9915 33.3403 174.8339 99 T 4.7471 9.2776 113.6973 60.6019 71.5264 172.7732 100 V 4.9225 8.7944 119.2741 59.5475 35.5610 175.3133 101 G 4.1291 8.9058 110.7031 44.4505 0.0000 171.0913 102 L 5.3794 8.7898 126.6506 52.5092 45.1468 176.1723 103 R 5.0928 9.4051 122.6383 55.0270 32.3769 175.4489 104 F 5.5657 8.5062 115.8985 55.2075 42.0369 173.2990 105 A 5.0494 9.2399 121.6992 50.2420 22.4441 174.9986 106 V 4.8015 8.8226 121.9220 60.9363 34.5996 174.0438 107 L 5.0433 8.9907 129.7157 53.4505 44.8258 174.7141 108 R 5.2373 9.8372 127.6464 53.8022 32.4733 176.2417 109 G 4.0052 7.8479 111.9669 45.8500 0.0000 170.2204 110 N 5.0973 7.8430 119.6440 51.3232 39.2711 173.2749 111 P 4.8329 0.0000 0.0000 63.2703 32.2211 175.6836 112 Y 4.8250 7.7673 117.1403 56.5675 39.3108 175.5318 113 E 4.0791 8.6534 122.9052 59.3617 29.7526 178.0596 114 S 4.4693 7.9145 113.2495 57.6192 63.2036 173.8074 115 E 4.3705 8.7937 125.2139 56.9827 29.2052 177.2183 116 A 4.3809 7.5020 122.1996 53.5845 19.3017 179.2280 117 E 4.0163 7.9062 114.9471 57.3005 29.8281 178.4732 118 G 3.9762 8.0624 106.8783 44.6225 0.0000 173.2255 119 D 5.1472 8.4670 117.1498 54.2071 42.2499 177.3770 *120 W 4.6741 8.1162 120.5247 55.9391 30.8486 174.4946 121 I 5.4285 8.9990 119.7863 59.1935 41.4358 173.8477 122 A 5.1223 8.9317 129.6871 50.2285 21.9916 174.8574 123 V 4.6776 8.9961 123.8731 61.6296 33.4024 174.6818 124 S 5.1805 9.3700 124.5979 56.7268 65.9606 173.3383 125 L 5.2142 8.8733 122.9133 53.2284 45.2922 174.9807 126 Y 5.2599 9.4173 124.6108 54.7852 42.5255 174.4480 127 G 4.4801 7.3024 114.2289 46.2666 0.0000 172.5445 128 T 4.9311 7.5980 113.5536 59.6035 72.2316 172.7618 129 I 4.9394 8.1583 123.0239 59.5952 41.5522 174.6763 130 G 4.1024 8.4037 114.2761 45.7433 0.0000 172.2913 131 A 4.6527 8.1272 121.7627 51.0869 19.0787 177.6219 132 P 4.2045 0.0000 0.0000 65.0186 31.6262 177.2867 133 I 3.8815 6.9713 122.4232 61.6319 37.4581 176.9212 134 K 4.0695 8.5656 123.9710 57.4684 31.8020 179.4656 135 G 4.0772 7.8921 105.7372 45.2319 0.0000 174.2974 136 L 4.6442 7.4083 122.6582 52.5424 40.9238 174.7994 137 E 5.1117 8.1181 118.3745 55.3920 32.6835 174.3344 138 H 5.0081 8.1112 115.9216 53.7364 31.9572 173.2681 139 E 4.7464 8.6695 117.5834 56.6858 30.4588 176.4712 140 T 4.8733 8.6285 115.2657 60.9687 71.5468 172.3568 141 F 5.4639 8.7515 127.2835 57.3232 43.3526 173.0258 142 G 4.5858 8.1556 111.5983 45.7977 0.0000 172.0229 143 V 4.8569 8.3141 123.9274 60.8242 34.7473 174.7168 144 G 4.2743 9.2889 114.4217 44.4709 0.0000 171.3735 145 I 5.3915 8.4778 124.4794 59.6059 40.4323 174.4021 146 N 5.1455 9.3280 123.9317 52.2004 42.8146 173.1026 147 H 3.4151 7.9668 120.2912 54.9238 29.6079 175.0857 148 I 3.9949 7.5726 120.3999 61.2430 38.1684 174.6419 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 T 8.03 4.32 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 3 L 8.45 3.64 0.00 1.64 1.49 0.82 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 *4 H 8.79 4.35 0.00 2.87 2.96 0.00 7.21 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.66 4.14 0.00 1.77 1.76 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.03 7.81 6 E 8.17 4.30 0.00 1.97 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 0.00 2.33 2.31 0.00 7 R 8.04 4.89 0.00 2.49 2.28 0.00 2.78 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 8 R 8.08 3.99 0.00 1.97 2.04 0.00 2.91 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.62 0.00 9 I 8.27 3.34 1.93 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.98 0.90 0.00 0.00 10 G 7.87 3.57 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 0.00 11 R 7.80 3.88 0.00 1.83 1.94 0.00 3.14 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 12 L 7.66 3.88 0.00 1.47 1.32 0.47 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 13 S 7.80 4.06 0.00 4.03 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.72 3.67 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.24 0.00 0.00 15 L 7.81 3.91 0.00 1.91 1.66 0.87 0.46 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 16 L 7.51 3.94 0.00 1.70 1.81 0.88 0.82 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 17 L 7.40 4.14 0.00 1.82 1.77 1.07 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.64 3.93 0.00 1.49 1.51 0.70 0.15 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 19 N 7.39 4.54 0.00 2.68 2.72 0.00 0.00 6.89 7.33 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 20 E 8.93 3.99 0.00 1.98 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 2.24 1.90 0.00 21 A 7.54 3.39 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *26 Q 8.34 4.28 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.86 0.00 0.00 0.00 0.00 0.00 2.26 1.96 0.00 27 V 7.96 3.73 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.93 0.00 0.00 28 E 8.21 4.33 0.00 2.07 2.01 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 2.41 2.31 0.00 29 E 8.25 4.01 0.00 1.97 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 2.32 1.98 0.00 30 L 8.29 4.51 0.00 1.93 1.90 0.81 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.97 4.53 0.00 2.25 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 2.39 2.32 0.00 32 R 8.13 4.12 0.00 1.92 1.89 0.00 3.25 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 33 D 7.59 4.77 0.00 2.91 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 G 8.80 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 35 W 8.19 5.46 0.00 3.32 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.38 4.49 0.00 1.44 1.70 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.37 1.29 7.81 37 V 8.46 4.99 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 0.88 0.00 0.00 1.05 0.00 0.00 38 C 8.54 4.78 0.00 2.98 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 39 L 7.69 5.18 0.00 1.39 1.31 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 40 G 6.85 3.51 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 0.00 41 K 8.58 5.43 0.00 1.49 1.52 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.24 0.97 7.81 42 V 9.58 4.32 2.20 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 0.76 0.00 0.00 0.97 0.00 0.00 43 G 8.57 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 0.00 0.00 0.00 0.00 44 S 8.77 4.77 0.00 3.86 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 M 8.63 4.55 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 46 D 8.24 4.95 0.00 2.49 2.21 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 47 A 8.59 3.96 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 48 H 8.09 4.26 0.00 3.43 3.59 0.00 5.65 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.48 4.03 0.00 1.85 1.82 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.41 1.16 7.81 50 V 7.47 3.51 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 0.95 0.00 0.00 0.88 0.00 0.00 51 I 7.52 3.57 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.40 0.82 0.00 0.00 52 A 8.09 4.00 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 53 A 7.85 4.00 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 54 I 7.10 3.05 1.65 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.29 -0.36 0.71 0.00 0.00 55 E 8.07 3.89 0.00 2.06 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 2.33 2.38 0.00 56 T 7.87 3.84 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 1.25 0.00 0.00 57 A 8.00 4.14 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.30 4.27 0.00 4.08 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 59 K 7.89 4.16 0.00 1.85 1.89 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.60 7.81 60 K 7.94 4.39 0.00 1.89 1.89 0.00 1.84 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.47 7.81 61 S 7.88 4.61 0.00 4.07 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 62 G 8.29 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 63 V 8.98 3.91 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 0.90 0.00 0.00 1.07 0.00 0.00 64 I 7.08 4.59 1.89 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 1.33 0.86 0.94 0.00 0.00 65 Q 8.44 4.08 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.13 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 66 S 8.88 4.26 0.00 3.85 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 67 E 8.13 4.66 0.00 1.98 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 2.11 1.83 0.00 68 G 8.84 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 69 Y 8.26 4.72 0.00 2.96 2.94 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 70 R 8.13 3.79 0.00 1.87 1.92 0.00 3.20 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 71 E 8.05 3.83 0.00 2.02 1.93 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 2.31 1.96 0.00 72 S 7.98 4.45 0.00 4.05 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 H 7.64 4.11 0.00 2.29 3.10 0.00 5.58 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 74 A 7.46 3.94 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 75 L 7.84 3.91 0.00 1.92 1.84 0.93 0.77 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 76 Y 7.86 3.88 0.00 3.23 2.95 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 77 H 8.72 4.15 0.00 3.20 3.29 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 78 A 7.82 3.97 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 79 T 7.99 3.70 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 1.01 0.00 0.00 80 M 7.66 3.88 0.00 1.95 1.83 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 81 E 8.18 4.17 0.00 2.25 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 2.42 2.54 0.00 82 A 8.00 3.91 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 83 L 8.32 3.98 0.00 1.69 1.62 0.76 0.86 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 84 H 7.95 4.26 0.00 3.52 3.35 0.00 5.81 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 85 G 7.93 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.91 4.33 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 0.91 0.00 0.00 0.95 0.00 0.00 87 T 7.86 4.11 4.46 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 1.17 0.00 0.00 88 R 8.64 3.72 0.00 2.01 2.05 0.00 3.20 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 89 G 7.26 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 90 E 7.70 4.52 0.00 1.93 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 2.21 2.20 0.00 91 M 8.39 4.40 0.00 1.92 1.91 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 92 L 7.26 4.81 0.00 1.59 1.47 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.79 4.53 0.00 1.87 1.63 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.23 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 95 S 8.02 4.35 0.00 3.99 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 96 L 7.55 4.56 0.00 1.74 1.67 0.92 0.96 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 97 L 7.79 3.64 0.00 1.75 1.69 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 98 R 8.24 4.98 0.00 1.82 1.80 0.00 3.04 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 99 T 9.28 4.75 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 100 V 8.79 4.92 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 0.63 0.00 0.00 0.97 0.00 0.00 101 G 8.91 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.79 5.38 0.00 1.77 1.59 0.89 0.64 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 0.00 103 R 9.41 5.09 0.00 1.96 1.86 0.00 3.09 0.00 0.00 3.30 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 104 F 8.51 5.57 0.00 3.17 3.06 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 0.00 105 A 9.24 5.05 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 0.00 106 V 8.82 4.80 2.19 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 1.00 0.00 0.00 1.08 0.00 0.00 107 L 8.99 5.04 0.00 1.69 1.39 0.73 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 108 R 9.84 5.24 0.00 2.02 1.87 0.00 3.41 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 109 G 7.85 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 0.00 110 N 7.84 5.10 0.00 2.69 2.68 0.00 0.00 6.88 7.69 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 0.00 111 P 0.00 4.83 0.00 1.83 2.35 0.00 4.00 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.80 0.00 112 Y 7.77 4.83 0.00 3.09 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 0.00 113 E 8.65 4.08 0.00 2.04 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 2.36 2.53 0.00 114 S 7.91 4.47 0.00 3.87 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 0.00 115 E 8.79 4.37 0.00 2.01 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 2.30 2.30 0.00 116 A 7.50 4.38 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 0.00 117 E 7.91 4.02 0.00 2.08 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 2.31 2.25 0.00 118 G 8.06 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 0.00 119 D 8.47 5.15 0.00 2.86 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 *120 W 8.12 4.67 0.00 2.40 2.19 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 0.00 121 I 9.00 5.43 1.94 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 1.22 1.77 0.96 0.00 0.00 122 A 8.93 5.12 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 0.00 123 V 9.00 4.68 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 0.98 0.00 0.00 0.92 0.00 0.00 124 S 9.37 5.18 0.00 3.72 3.63 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 0.00 125 L 8.87 5.21 0.00 1.47 1.47 0.83 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 9.42 5.26 0.00 3.20 2.84 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 0.00 127 G 7.30 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 0.00 0.00 0.00 0.00 128 T 7.60 4.93 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 1.12 0.00 0.00 129 I 8.16 4.94 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.56 0.80 0.00 0.00 130 G 8.40 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 0.00 131 A 8.13 4.65 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 0.00 132 P 0.00 4.20 0.00 2.18 2.19 0.00 3.76 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 1.98 1.98 0.00 133 I 6.97 3.88 1.87 0.00 0.00 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 1.15 0.41 0.91 0.00 0.00 134 K 8.57 4.07 0.00 1.77 1.71 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.01 7.81 135 G 7.89 4.08 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 0.00 136 L 7.41 4.64 0.00 1.60 1.62 0.92 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 0.00 137 E 8.12 5.11 0.00 2.03 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 2.16 2.26 0.00 138 H 8.11 5.01 0.00 3.30 3.48 0.00 5.45 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.67 4.75 0.00 1.97 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 2.35 2.36 0.00 140 T 8.63 4.87 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 1.21 0.00 0.00 141 F 8.75 5.46 0.00 3.27 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 0.00 142 G 8.16 4.59 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 0.00 143 V 8.31 4.86 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 0.82 0.00 0.00 0.66 0.00 0.00 144 G 9.29 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 0.00 0.00 0.00 0.00 145 I 8.48 5.39 2.01 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 1.32 0.78 1.29 0.00 0.00 146 N 9.33 5.15 0.00 2.71 2.59 0.00 0.00 6.74 8.29 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 0.00 147 H 7.97 3.42 0.00 2.28 1.35 0.00 5.52 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 0.00 148 I 7.57 3.99 1.81 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 0.88 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.