NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.5366 8.3044 120.2865 55.2857 33.8363 174.0829 3 V 4.1272 8.0761 121.4984 59.6315 33.1390 173.1622 4 W 4.5362 9.0811 135.0000 57.2686 31.8439 174.8152 5 T 4.0081 8.0082 122.2766 61.3749 67.1579 172.4559 6 P 4.4730 0.0000 0.0000 63.5358 32.2049 175.7973 7 V 3.9388 7.3877 119.9580 62.6372 32.4740 175.4862 8 N 4.1953 8.7133 126.0057 54.9880 35.8108 173.4371 9 N 5.0260 7.5318 108.0696 52.8735 40.2977 174.1651 10 K 4.0438 8.2149 115.7239 56.5501 32.6729 176.4947 11 M 4.9946 8.3225 121.0328 53.9951 35.2248 175.4222 12 F 4.5931 8.4467 116.4473 57.3237 41.2558 176.3084 13 E 3.4531 8.3137 123.2182 57.2487 28.0196 176.1077 14 T 3.8500 8.3544 123.2041 66.4398 68.7740 174.2396 15 F 4.5685 9.0484 124.6046 57.5771 36.8689 176.3317 16 S 4.4997 8.0549 114.0276 60.2012 62.9533 174.4020 17 Y 4.3962 8.2566 117.5787 58.1564 38.1950 175.1134 18 L 4.6940 7.6393 120.3558 52.1669 43.6112 174.5547 19 P 4.4092 0.0000 0.0000 61.8533 31.7823 174.8913 20 P 4.2303 0.0000 0.0000 62.9823 31.7750 176.2173 21 L 4.0498 8.3293 122.5595 54.6425 42.2605 177.9319 22 T 4.2131 8.1971 113.9324 61.2434 71.1414 175.1950 23 D 4.3441 8.6427 121.5478 57.8287 40.7307 178.9281 24 E 3.9851 8.1200 119.0867 59.1189 29.7934 178.6001 25 Q 3.9965 7.7864 117.8447 58.4465 28.9168 178.3490 26 I 3.7504 8.0424 121.0252 64.3338 37.1809 178.3151 27 A 4.0657 8.1586 121.4473 55.0992 18.2404 179.5866 28 A 4.0274 7.9100 119.0636 55.2688 18.4821 179.8921 29 Q 4.0904 8.0191 116.3462 59.1619 28.7728 179.1563 30 V 3.7796 8.1395 119.3753 66.0708 31.5722 177.8005 31 D 4.4201 8.3418 118.7942 57.4775 40.5037 178.1022 32 Y 4.1624 8.1425 119.8900 60.6961 38.8256 178.1082 33 I 3.9195 7.9475 120.6048 64.5070 37.2160 178.5877 34 V 3.4848 7.8277 118.5313 66.0956 31.2428 177.7634 35 A 3.8409 8.1775 119.2408 54.8146 18.1833 178.3400 36 N 4.0811 7.0850 111.9562 52.0301 38.7103 175.6414 37 G 3.7770 7.5135 108.4750 46.1348 0.0000 174.1481 38 W 4.9347 7.5695 118.7561 56.0586 30.6342 176.3512 39 I 4.3444 8.9593 123.4302 59.6711 37.6498 174.0767 40 P 4.8934 0.0000 0.0000 62.9705 32.7767 175.1588 41 C 4.9833 8.8093 120.7485 58.5706 35.6839 172.4032 42 L 5.3067 8.6923 123.9958 53.1576 44.4034 175.1964 43 E 5.6090 9.1521 121.3855 54.9086 33.8985 174.7154 44 F 5.6426 9.1935 115.9394 56.1359 42.0643 172.9470 45 A 4.4962 8.3864 119.9183 50.3853 22.7877 176.3081 46 E 4.3121 8.6199 119.0805 55.7157 30.5635 177.8687 47 A 4.3352 8.6644 121.9168 55.6565 18.4767 179.6242 48 D 4.5351 8.1502 113.5232 56.2990 41.0859 177.1472 49 K 4.6128 7.8745 117.1151 56.0352 32.6252 176.7840 50 A 3.8980 7.6172 124.2882 53.7749 18.9933 178.2757 51 Y 4.6418 7.4321 111.6024 55.5945 40.0385 175.6674 52 V 3.8010 8.3098 122.4720 63.9286 32.0696 175.2089 53 S 4.7132 8.8769 119.4251 56.8756 66.0700 173.6496 54 N 5.0839 8.6197 114.7871 52.6213 39.2658 175.9384 55 E 3.9015 8.3466 120.3554 60.1387 29.1751 179.4018 56 S 3.9743 8.5927 115.1007 60.7182 62.7859 176.1284 57 A 2.5800 7.8346 123.5740 53.6403 17.7222 179.0763 58 I 3.5099 6.9457 116.7039 63.6103 38.0301 177.1314 59 R 4.2880 7.6599 116.7795 55.7582 30.6203 176.3737 60 F 5.0028 7.2563 118.1540 56.1497 41.0690 177.6545 61 G 4.0778 8.2508 117.1261 46.2378 0.0000 175.3042 62 S 4.6377 8.4569 113.7355 59.1328 62.6709 174.5524 63 V 4.4398 7.4306 107.9476 61.2089 32.9101 177.4521 64 S 4.5244 8.1987 114.4773 59.2459 63.5918 173.4849 65 C 4.0016 8.0642 119.2732 61.6373 27.9897 173.2245 66 L 3.6216 8.4878 123.2782 55.6716 38.9255 173.1868 67 Y 4.4469 7.6665 119.4071 55.8470 40.2110 174.5876 68 Y 4.9276 7.3214 123.4067 56.2464 42.2567 174.8298 69 D 4.4944 8.7824 123.4491 55.4587 41.6850 176.6235 70 N 4.3905 8.8802 116.8302 54.4709 35.7551 176.2418 71 R 3.9954 8.0743 118.3328 59.2539 30.4765 177.1392 72 Y 4.3624 7.6941 114.4248 58.1221 38.2209 175.4483 73 W 5.0152 8.7057 123.8872 55.2009 32.8642 174.6713 74 T 4.2377 8.2255 117.4880 62.7363 69.2674 174.7030 75 M 4.6451 8.5285 126.6013 55.3497 33.2114 175.1428 76 W 4.8607 9.5747 135.0000 55.9519 31.4145 176.9292 77 K 3.4243 8.4726 128.7661 57.5400 30.7955 178.0289 78 L 4.9338 8.2899 124.4583 52.6733 45.1475 174.0264 79 P 4.3175 0.0000 0.0000 63.3596 31.9287 177.9355 80 M 4.3716 8.5996 124.1179 54.0276 30.1416 175.3763 81 F 4.3053 7.5399 118.9040 58.7773 40.0141 176.1878 82 G 3.9462 9.1077 112.2568 45.8823 0.0000 172.7591 83 C 4.3198 7.8570 120.7309 59.2047 31.7090 173.3895 84 R 4.4918 8.6657 124.0757 55.6740 30.6338 174.5648 85 D 4.8520 7.7843 118.9711 51.7535 42.4359 174.8869 86 P 4.3808 0.0000 0.0000 65.9214 31.2742 178.5519 87 M 4.1125 8.2212 117.3044 58.2852 31.8357 178.4144 88 Q 3.9753 7.8108 118.7461 59.1167 29.1918 178.7455 89 V 3.5903 7.7194 118.6249 66.1284 31.9001 177.7557 90 L 4.0298 7.9284 118.7314 58.0198 41.3424 179.8541 91 R 3.9736 8.2881 118.0390 59.3093 29.8999 178.9888 92 E 4.0761 8.1769 117.9824 59.2130 29.3733 179.4226 93 I 3.5168 7.7849 120.0433 64.2470 37.1960 178.5344 94 V 3.4594 7.6051 118.4088 65.9354 31.4638 177.8206 95 A 3.9438 8.1463 120.7554 55.2569 18.2472 179.2270 96 C 2.0000 7.6441 117.5377 62.0832 31.1913 175.9802 97 T 3.7693 7.6220 111.2157 64.2656 68.0100 176.4839 98 K 3.8943 7.6504 121.9750 59.2859 32.3125 178.4014 99 A 4.0000 7.5318 119.8769 53.4601 19.9370 177.6703 100 F 4.7416 7.7447 115.4762 55.1726 38.9910 174.1620 101 P 4.4391 0.0000 0.0000 64.2587 31.9100 177.8698 102 D 4.6749 8.0829 116.9011 53.8838 41.1402 175.4111 103 A 4.8271 7.3692 120.7175 50.3471 21.4349 177.0292 104 Y 4.2461 8.6689 118.0704 57.8560 39.4953 175.2562 105 V 5.2170 8.9978 123.2293 61.2138 35.2800 174.2408 106 R 4.9659 9.3451 123.6414 54.2642 33.1386 173.7698 107 L 4.8351 8.0566 123.4468 53.9517 43.7702 175.6938 108 V 4.8151 8.7046 118.4117 59.4282 36.2264 174.2746 109 A 4.9571 8.1276 122.2270 50.2583 22.7972 175.0407 110 F 5.2730 8.9729 119.4373 55.7395 42.4744 174.0482 111 D 5.4001 8.7755 122.7330 52.8895 42.4693 176.6646 112 N 4.7840 9.0868 122.2086 53.9637 38.5632 176.4578 113 Q 4.1647 8.8207 118.7997 59.0539 28.9211 177.6719 114 K 4.0499 8.2487 114.5490 56.9787 32.8608 176.6557 115 Q 3.4392 7.9328 117.6124 55.7114 26.9521 172.4852 116 V 4.4472 7.8469 116.9257 59.9616 34.9174 173.8800 117 Q 4.3838 8.7919 123.4578 56.6379 29.2368 175.6238 118 I 4.1662 7.9841 125.1634 61.2808 39.5401 174.3632 119 M 4.5395 6.6332 117.4109 54.5905 34.3739 173.6560 120 G 4.8694 8.2988 106.5033 47.1726 0.0000 172.3913 121 F 5.0805 7.1553 116.0723 55.2494 41.1481 172.8675 122 L 4.4488 8.8351 122.9894 55.5594 42.0015 176.7761 123 V 4.4899 8.9227 118.3823 61.6435 34.0943 175.8403 124 Q 4.5932 7.8197 121.3969 54.4966 32.3569 173.2347 125 R 4.2940 8.1537 122.0449 53.1395 32.4650 173.8800 126 P 4.1856 0.0000 0.0000 62.4690 31.8315 177.6024 127 K 4.2235 8.4766 120.6303 58.8155 32.7423 177.6045 128 T 4.2170 7.6869 108.4853 61.8640 69.4822 174.7374 129 A 4.2609 7.9102 126.9740 52.8200 18.6552 177.5168 130 R 4.5284 8.8488 120.5579 56.0533 31.2997 175.8236 131 D 4.9340 8.3808 117.2833 52.7017 39.7606 175.5294 132 F 5.3148 7.7282 112.9693 55.5227 40.9918 173.7502 133 Q 4.4773 8.3670 120.4656 53.0843 31.0911 174.1595 134 P 4.4672 0.0000 0.0000 62.3490 32.0693 176.9381 135 A 3.9560 8.9031 123.3916 55.6545 18.1577 179.3248 136 N 4.5969 8.0768 109.4709 54.0865 37.8148 175.5444 137 K 4.4677 7.7819 117.6852 56.3443 32.8327 177.3796 138 R 3.5954 7.6417 121.0534 57.7355 30.1278 176.6866 139 S 5.0946 7.5309 110.3426 56.3248 65.9694 174.2609 140 V 3.9964 8.5543 114.5992 61.7595 32.2130 175.6071 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 M 8.30 4.54 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 3 V 8.08 4.13 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 1.11 0.00 0.00 0.97 0.00 0.00 4 W 9.08 4.54 0.00 3.40 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 5 T 8.01 4.01 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 0.99 0.00 0.00 6 P 0.00 4.47 0.00 2.23 2.19 0.00 3.78 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 1.96 1.96 0.00 7 V 7.39 3.94 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 0.76 0.00 0.00 0.91 0.00 0.00 8 N 8.71 4.20 0.00 2.80 2.89 0.00 0.00 6.84 8.00 0.00 0.00 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 N 7.53 5.03 0.00 2.49 2.67 0.00 0.00 7.30 6.68 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 10 K 8.21 4.04 0.00 1.95 1.54 0.00 0.61 0.00 0.00 1.25 0.00 0.00 2.29 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.31 1.34 7.81 11 M 8.32 4.99 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.67 0.00 12 F 8.45 4.59 0.00 3.12 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 13 E 8.31 3.45 0.00 2.13 1.65 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 2.20 2.13 0.00 14 T 8.35 3.85 4.18 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 0.09 0.00 0.00 15 F 9.05 4.57 0.00 3.29 3.16 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 0.00 16 S 8.05 4.50 0.00 4.18 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 0.00 17 Y 8.26 4.40 0.00 3.02 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 18 L 7.64 4.69 0.00 1.84 1.61 0.87 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.41 0.00 2.03 2.00 0.00 3.72 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 2.03 2.14 0.00 20 P 0.00 4.23 0.00 2.04 2.04 0.00 3.70 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 2.08 2.19 0.00 21 L 8.33 4.05 0.00 1.60 1.49 0.44 0.52 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 22 T 8.20 4.21 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 1.18 0.00 0.00 23 D 8.64 4.34 0.00 2.70 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 24 E 8.12 3.99 0.00 2.01 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 2.35 2.39 0.00 25 Q 7.79 4.00 0.00 2.25 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 26 I 8.04 3.75 2.06 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.02 1.08 0.00 0.00 27 A 8.16 4.07 1.39 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 0.00 0.00 0.00 28 A 7.91 4.03 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 29 Q 8.02 4.09 0.00 2.47 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.75 0.00 0.00 0.00 0.00 0.00 2.34 1.82 0.00 30 V 8.14 3.78 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 1.15 0.00 0.00 1.10 0.00 0.00 31 D 8.34 4.42 0.00 2.99 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 32 Y 8.14 4.16 0.00 3.24 3.34 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 33 I 7.95 3.92 2.16 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 1.73 1.13 1.11 0.00 0.00 34 V 7.83 3.48 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 1.12 0.00 0.00 1.02 0.00 0.00 35 A 8.18 3.84 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 36 N 7.08 4.08 0.00 1.44 1.42 0.00 0.00 7.02 8.57 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 37 G 7.51 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 0.00 0.00 0.00 38 W 7.57 4.93 0.00 3.36 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 39 I 8.96 4.34 2.10 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.89 0.71 0.00 0.00 40 P 0.00 4.89 0.00 2.09 1.99 0.00 3.82 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 41 C 8.81 4.98 0.00 3.08 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 42 L 8.69 5.31 0.00 1.86 1.64 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.15 5.61 0.00 2.03 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 2.35 2.31 0.00 44 F 9.19 5.64 0.00 3.04 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 45 A 8.39 4.50 -0.12 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 0.00 0.00 0.00 0.00 0.00 46 E 8.62 4.31 0.00 2.18 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 0.00 2.30 2.28 0.00 47 A 8.66 4.34 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.15 4.54 0.00 2.70 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 49 K 7.87 4.61 0.00 1.52 1.67 0.00 1.69 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.42 7.81 50 A 7.62 3.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.43 4.64 0.00 2.94 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 52 V 8.31 3.80 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.77 0.00 0.00 53 S 8.88 4.71 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 54 N 8.62 5.08 0.00 2.75 2.85 0.00 0.00 6.55 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 55 E 8.35 3.90 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 56 S 8.59 3.97 0.00 3.97 3.79 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 57 A 7.83 2.58 1.09 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 58 I 6.95 3.51 1.78 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 1.48 0.81 0.86 0.00 0.00 59 R 7.66 4.29 0.00 1.90 2.01 0.00 3.20 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 60 F 7.26 5.00 0.00 2.98 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 61 G 8.25 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 62 S 8.46 4.64 0.00 3.86 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.43 4.44 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 0.67 0.00 0.00 0.52 0.00 0.00 64 S 8.20 4.52 0.00 4.09 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 65 C 8.06 4.00 0.00 2.97 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 66 L 8.49 3.62 0.00 1.78 1.76 0.94 0.95 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 67 Y 7.67 4.45 0.00 2.92 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 68 Y 7.32 4.93 0.00 2.82 2.70 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 69 D 8.78 4.49 0.00 2.82 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 70 N 8.88 4.39 0.00 3.05 3.24 0.00 0.00 7.00 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 71 R 8.07 4.00 0.00 1.54 1.68 0.00 3.09 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 72 Y 7.69 4.36 0.00 3.06 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 73 W 8.71 5.02 0.00 3.07 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 74 T 8.23 4.24 2.85 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 0.93 0.00 0.00 75 M 8.53 4.65 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.78 0.00 76 W 9.57 4.86 0.00 3.73 3.30 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 77 K 8.47 3.42 0.00 1.74 0.80 0.00 1.83 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.87 0.21 7.81 78 L 8.29 4.93 0.00 1.62 1.60 1.02 1.04 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 79 P 0.00 4.32 0.00 0.70 1.80 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.15 0.00 80 M 8.60 4.37 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.55 0.00 81 F 7.54 4.31 0.00 3.10 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 82 G 9.11 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 83 C 7.86 4.32 0.00 2.97 3.02 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 84 R 8.67 4.49 0.00 1.80 1.89 0.00 3.38 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.53 0.00 85 D 7.78 4.85 0.00 2.66 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.38 0.00 2.22 2.12 0.00 3.67 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 87 M 8.22 4.11 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.71 0.00 88 Q 7.81 3.98 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 89 V 7.72 3.59 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.02 0.00 0.00 90 L 7.93 4.03 0.00 1.90 1.72 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.29 3.97 0.00 2.09 2.01 0.00 3.15 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 92 E 8.18 4.08 0.00 2.23 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 0.00 2.60 2.65 0.00 93 I 7.78 3.52 2.00 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 1.34 0.73 0.85 0.00 0.00 94 V 7.61 3.46 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 0.97 0.00 0.00 0.93 0.00 0.00 95 A 8.15 3.94 1.50 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 0.00 0.00 96 C 7.64 2.00 0.00 1.48 2.42 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 97 T 7.62 3.77 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 1.15 0.00 0.00 98 K 7.65 3.89 0.00 1.86 1.92 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.39 7.81 99 A 7.53 4.00 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 0.00 100 F 7.74 4.74 0.00 2.91 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 0.00 101 P 0.00 4.44 0.00 2.12 2.11 0.00 3.25 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.87 0.00 102 D 8.08 4.67 0.00 2.69 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 0.00 103 A 7.37 4.83 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 0.00 104 Y 8.67 4.25 0.00 2.57 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 0.00 105 V 9.00 5.22 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 0.92 0.00 0.00 0.94 0.00 0.00 106 R 9.35 4.97 0.00 1.85 1.90 0.00 2.36 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.34 0.00 107 L 8.06 4.84 0.00 1.52 0.78 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.70 4.82 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 0.41 0.00 0.00 0.57 0.00 0.00 109 A 8.13 4.96 1.21 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 0.00 0.00 110 F 8.97 5.27 0.00 2.98 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 0.00 111 D 8.78 5.40 0.00 2.45 2.45 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 0.00 112 N 9.09 4.78 0.00 2.94 3.05 0.00 0.00 6.24 7.39 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 0.00 113 Q 8.82 4.16 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.04 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 114 K 8.25 4.05 0.00 1.76 1.87 0.00 2.06 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.46 7.81 115 Q 7.93 3.44 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 116 V 7.85 4.45 2.08 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 0.55 0.00 0.00 0.91 0.00 0.00 117 Q 8.79 4.38 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.87 0.00 0.00 0.00 0.00 0.00 2.18 1.95 0.00 118 I 7.98 4.17 1.26 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.60 -0.77 0.00 0.00 119 M 6.63 4.54 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.71 0.00 120 G 8.30 4.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 F 7.16 5.08 0.00 3.24 3.33 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 0.00 122 L 8.84 4.45 0.00 1.63 1.64 0.53 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.92 4.49 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.89 0.00 0.00 124 Q 7.82 4.59 0.00 2.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.83 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 125 R 8.15 4.29 0.00 1.26 1.55 0.00 2.21 0.00 0.00 2.56 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.28 0.00 126 P 0.00 4.19 0.00 2.05 1.96 0.00 2.24 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.88 0.00 127 K 8.48 4.22 0.00 1.87 1.94 0.00 1.55 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.41 7.81 128 T 7.69 4.22 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 1.22 0.00 0.00 129 A 7.91 4.26 1.59 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 0.00 130 R 8.85 4.53 0.00 1.80 1.90 0.00 3.34 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.53 0.00 131 D 8.38 4.93 0.00 2.90 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 0.00 132 F 7.73 5.31 0.00 3.21 3.16 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 0.00 133 Q 8.37 4.48 0.00 1.89 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.05 0.00 0.00 0.00 0.00 0.00 2.26 2.16 0.00 134 P 0.00 4.47 0.00 2.34 2.19 0.00 3.56 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.89 0.00 135 A 8.90 3.96 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 0.00 136 N 8.08 4.60 0.00 2.84 2.95 0.00 0.00 5.84 7.13 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 0.00 137 K 7.78 4.47 0.00 1.63 1.71 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.30 7.81 138 R 7.64 3.60 0.00 1.49 0.66 0.00 2.95 0.00 0.00 2.92 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.64 0.00 139 S 7.53 5.09 0.00 4.02 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 0.00 140 V 8.55 4.00 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 0.61 0.00 0.00 0.95 0.00 0.00