NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 Q 4.2950 8.3444 119.6901 55.5348 30.1074 174.3649 6 V 3.6910 8.3593 123.4691 60.7394 32.1455 171.7681 7 E 4.8649 9.3396 125.1223 54.6535 33.4947 174.0151 8 I 4.9016 8.3904 121.3280 59.6464 41.1751 174.9647 9 S 4.8651 8.7963 127.0270 57.8454 62.2126 176.0735 *11 A 4.3276 8.8107 120.1492 52.1164 19.8544 179.0695 12 E 4.0724 8.4173 115.3370 59.0355 29.7754 179.2956 13 W 3.8418 8.3634 128.3045 60.2592 31.3363 176.7308 14 D 4.6878 8.1406 117.1764 57.5988 40.5644 179.6551 15 V 3.6831 7.4744 116.4022 63.3400 31.0391 177.2722 *17 N 4.9742 8.2572 117.7102 52.9534 40.5785 176.9762 18 I 3.8774 7.2564 118.1245 64.2938 37.1754 178.5161 19 I 3.7205 7.6638 120.7152 64.0467 36.6361 178.5510 20 W 4.4512 7.7687 118.6391 59.6794 28.9827 177.7306 21 D 4.5235 8.0037 116.8690 57.4447 40.9431 178.1288 22 K 4.1425 8.2927 116.9026 56.8308 32.2784 178.1462 23 K 4.4930 8.8488 122.3194 56.7507 31.6101 176.5141 24 S 4.9753 7.7657 112.4785 57.0151 65.0885 173.7635 25 V 4.8249 9.1104 126.7982 60.1566 34.9649 174.4530 26 S 4.3845 8.9907 117.3262 57.4040 64.1204 174.7555 27 A 3.9031 8.7522 123.3875 55.7411 18.0866 179.9456 28 N 4.2272 7.9341 114.2344 56.4866 38.6587 177.1450 29 E 3.9843 8.3429 120.7191 58.9886 29.6907 178.8989 30 I 3.6478 7.8626 120.3198 64.1793 37.1727 178.3266 31 V 3.4861 8.0147 119.4254 66.0539 31.1223 177.9696 32 V 3.5610 7.5036 116.2877 66.2610 31.0747 177.5715 33 E 4.1727 8.1798 118.0185 59.5742 29.3471 179.4598 34 I 3.2509 7.7851 119.8402 64.1417 36.9361 178.1089 35 Q 4.4897 7.6798 118.1029 56.9587 28.6303 178.1312 36 K 4.2226 7.4997 118.9077 58.6303 32.1642 176.8995 37 Y 4.8618 7.3276 112.9501 55.8239 39.4852 174.9001 38 K 4.6138 7.1916 121.0332 55.0636 35.3840 175.3155 39 E 4.7279 8.5492 122.2967 56.5234 29.9810 176.8530 40 V 4.0240 7.4534 111.6002 60.5392 32.9732 176.9272 41 S 4.4746 8.1959 117.5910 57.7673 65.3212 175.0367 42 D 4.3337 8.4799 122.3641 56.3357 39.0067 178.6435 43 K 3.8842 7.9197 120.7256 59.6778 32.3081 178.7254 44 T 3.8435 7.7701 115.8217 66.6932 68.2721 176.7527 45 I 3.6437 7.6860 121.6517 64.4081 37.1508 178.5747 46 R 3.8028 8.1985 119.2134 59.5847 29.7663 179.1423 47 T 3.8397 7.9992 115.3835 66.6405 68.3787 176.5770 48 L 3.9267 7.8351 120.7404 57.8233 41.5794 179.6808 49 I 3.4224 7.7927 119.8239 64.5784 36.8998 178.6096 50 T 3.8736 8.2565 116.8732 66.6108 68.1938 176.8581 51 R 3.9045 8.2106 120.1388 59.3682 30.1574 179.0573 52 L 3.9082 8.0339 118.8414 57.8603 41.5359 179.0680 53 Y 4.0546 8.1805 119.4723 60.6073 38.5804 178.0428 54 K 3.7725 8.1061 118.3367 59.4674 32.3599 178.9798 55 K 4.1156 7.9753 114.9539 56.1931 31.9386 176.5051 56 E 3.7100 7.7322 118.9528 57.1701 28.7946 175.3800 57 I 4.1695 7.7033 119.6505 62.6112 38.2507 175.8507 58 I 5.2910 7.6672 113.5949 58.8414 41.0796 174.2106 59 K 5.1804 9.2938 121.8194 55.4810 36.4083 174.7946 60 R 5.0928 8.4997 115.4911 55.0843 32.5439 173.2162 61 Y 5.1031 8.2217 116.9710 55.2746 42.1676 173.6742 62 K 5.1152 8.9573 120.0783 54.8035 35.1423 175.1742 63 S 4.5860 9.2978 120.3963 58.1849 65.9498 173.5587 64 E 3.7948 9.7609 125.7561 58.1413 26.7981 174.5639 65 N 4.1171 8.2072 108.6537 53.7683 36.9382 174.3806 66 I 4.4436 7.7176 111.3679 59.1613 40.8888 174.1618 67 Y 4.6971 8.2107 122.6906 57.6108 39.8592 174.2000 68 F 4.5018 8.7084 121.8824 55.8399 41.8911 173.8144 69 Y 5.1819 9.2115 122.4067 56.5078 40.1533 175.0752 70 S 5.2249 9.0086 116.9180 56.3043 67.3603 172.9652 71 S 4.5197 8.7550 115.4442 57.9093 62.9890 173.2286 72 N 5.1841 8.9754 126.1709 52.7498 39.2136 173.7477 73 I 4.5539 7.8067 114.6470 58.0195 41.6176 174.6164 74 K 4.2230 8.6308 126.2043 55.4530 32.7467 177.2229 75 E 2.9792 8.4721 125.6926 59.5209 29.0114 178.7118 76 D 4.3322 7.6957 116.4124 57.1964 40.9319 178.2212 77 D 4.4827 7.8281 118.3029 57.4811 41.2973 178.1887 78 I 4.0335 7.8032 119.1193 63.6464 37.8601 177.8694 79 K 4.4013 8.4516 117.3243 57.6081 31.8352 177.8366 *81 K 4.2547 7.9483 120.4509 56.4974 34.1001 177.9765 82 T 3.9851 8.4358 115.5206 66.5422 68.1862 176.5751 83 A 4.0129 8.2609 122.8730 55.0742 18.4156 179.8682 84 K 3.9849 8.0540 116.5108 59.8229 32.2122 179.3867 85 T 3.8752 7.9668 116.0274 66.6765 68.4396 176.1657 86 F 4.0780 8.4036 122.3031 61.3802 39.3929 176.8470 87 L 4.1457 8.5329 120.1592 58.2076 41.6331 178.5943 88 N 4.3929 8.6867 116.7081 56.4408 38.3354 177.6355 89 K 3.9740 8.1957 118.6199 59.2165 32.2719 178.9142 90 L 3.9867 7.4084 117.2533 55.5621 42.0789 177.1071 91 Y 4.6207 6.9679 114.5316 57.0606 39.1689 175.9537 92 G 3.7078 8.6710 105.2281 46.5550 0.0000 175.4305 93 G 3.8710 8.4757 105.7265 44.8567 0.0000 173.1162 94 D 4.8712 7.9095 119.8993 51.8295 44.0263 176.3481 *96 K 4.2349 8.2882 117.1491 56.8146 34.5226 178.0412 97 S 4.1307 7.9393 113.8668 60.8540 62.2385 175.6609 98 L 2.6016 7.5311 122.5534 57.7817 41.7745 178.8824 99 V 3.4340 7.5010 117.4509 66.1420 31.3915 177.8483 100 L 4.0534 8.0420 118.5820 57.8059 40.9530 179.2293 101 N 4.4233 8.5731 116.8487 56.2776 38.4757 177.5543 102 F 3.9474 8.5452 119.1405 60.3078 39.0568 177.6269 103 A 4.0467 8.3280 120.7445 55.1076 18.0287 179.8632 104 K 3.9443 8.1892 115.5564 59.7488 32.7105 177.4506 105 N 4.6735 7.8305 114.3400 52.1566 38.4298 174.5135 106 E 3.8207 7.6985 116.4504 57.8668 27.5788 175.0538 107 E 4.4809 8.6955 114.9852 55.9046 30.0659 176.3911 108 L 4.6376 7.5288 121.2995 52.6431 43.9576 175.8478 109 N 4.7547 9.0625 125.1222 52.0514 39.8551 175.4747 110 N 4.3166 8.6651 117.7174 56.3338 38.3963 177.6234 111 K 3.8907 8.0243 120.3966 59.6987 32.5362 178.5510 112 E 3.9471 8.9674 119.2249 59.4840 29.2007 179.6714 113 I 3.7346 7.8151 119.8437 64.3120 37.2043 178.2940 114 E 3.9211 8.0958 119.4009 59.2789 29.2354 178.7844 115 E 3.8836 8.2757 119.4206 59.3878 29.7024 178.5341 116 L 3.8743 7.9319 120.0771 58.2021 42.0181 178.6732 117 R 3.8774 8.2357 118.7972 59.7573 29.8715 178.1700 118 D 4.3274 8.1635 118.4018 57.3133 40.7337 178.6927 119 I 3.6718 7.9444 120.4756 64.5597 37.0328 178.5575 120 L 3.9475 8.0016 119.6416 57.5624 41.1995 178.8124 121 N 4.2371 8.1737 116.4822 56.8777 38.9055 175.9993 122 D 4.4466 8.1929 118.0651 57.5810 41.4519 177.9229 123 I 3.8138 7.8290 119.3259 65.4582 37.5037 176.6852 124 S 4.8194 7.6548 115.1756 55.3821 66.7394 172.5957 125 K 4.0462 8.1701 125.3542 57.8337 29.9869 177.1777 126 K 4.1015 9.0375 126.7764 57.7297 32.9387 175.2783 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 5 Q 8.34 4.29 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 6 V 8.36 3.69 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 0.83 0.00 0.00 0.95 0.00 0.00 7 E 9.34 4.86 0.00 2.13 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 2.21 2.37 0.00 8 I 8.39 4.90 2.29 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.75 1.01 0.00 0.00 9 S 8.80 4.87 0.00 4.06 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 *11 A 8.81 4.33 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 12 E 8.42 4.07 0.00 2.34 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 0.00 2.29 2.25 0.00 13 W 8.36 3.84 0.00 3.65 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.14 4.69 0.00 2.99 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 0.00 15 V 7.47 3.68 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 0.73 0.00 0.00 0.82 0.00 0.00 *17 N 8.26 4.97 0.00 3.11 3.03 0.00 0.00 7.04 7.23 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 18 I 7.26 3.88 1.97 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 1.60 0.80 0.92 0.00 0.00 19 I 7.66 3.72 1.51 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.46 0.83 0.00 0.00 20 W 7.77 4.45 0.00 3.36 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 21 D 8.00 4.52 0.00 2.78 2.83 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 0.00 0.00 0.00 22 K 8.29 4.14 0.00 1.88 1.91 0.00 1.91 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.66 7.81 23 K 8.85 4.49 0.00 2.00 2.07 0.00 1.78 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.56 7.81 24 S 7.77 4.98 0.00 3.94 3.82 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 25 V 9.11 4.82 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 0.73 0.00 0.00 0.96 0.00 0.00 26 S 8.99 4.38 0.00 3.46 3.45 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 27 A 8.75 3.90 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 28 N 7.93 4.23 0.00 2.69 2.83 0.00 0.00 6.75 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 29 E 8.34 3.98 0.00 2.07 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 0.00 2.33 2.40 0.00 30 I 7.86 3.65 1.92 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.75 0.81 0.00 0.00 31 V 8.01 3.49 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 0.90 0.00 0.00 32 V 7.50 3.56 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 0.89 0.00 0.00 0.98 0.00 0.00 33 E 8.18 4.17 0.00 2.20 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 0.00 2.57 2.54 0.00 34 I 7.79 3.25 1.72 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.55 0.64 0.00 0.00 35 Q 7.68 4.49 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.00 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 36 K 7.50 4.22 0.00 2.10 2.01 0.00 1.74 0.00 0.00 1.84 0.00 0.00 3.10 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.52 1.66 7.81 37 Y 7.33 4.86 0.00 3.09 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 38 K 7.19 4.61 0.00 1.37 1.39 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.34 1.42 7.81 39 E 8.55 4.73 0.00 1.97 1.92 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 0.00 2.23 2.30 0.00 40 V 7.45 4.02 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 0.70 0.00 0.00 0.84 0.00 0.00 41 S 8.20 4.47 0.00 4.02 3.96 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 42 D 8.48 4.33 0.00 2.85 2.93 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 43 K 7.92 3.88 0.00 1.82 1.82 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.51 7.81 44 T 7.77 3.84 4.37 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 1.18 0.00 0.00 45 I 7.69 3.64 1.92 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.67 0.81 0.00 0.00 46 R 8.20 3.80 0.00 1.93 1.94 0.00 3.11 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.86 0.00 47 T 8.00 3.84 4.40 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 1.19 0.00 0.00 48 L 7.84 3.93 0.00 1.77 1.64 0.94 0.85 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 49 I 7.79 3.42 1.74 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.48 -0.03 0.00 0.00 50 T 8.26 3.87 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 51 R 8.21 3.90 0.00 1.97 2.04 0.00 3.12 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 52 L 8.03 3.91 0.00 1.69 1.60 0.79 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 8.18 4.05 0.00 3.16 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 54 K 8.11 3.77 0.00 1.91 1.83 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.70 7.81 55 K 7.98 4.12 0.00 1.68 1.83 0.00 1.85 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.42 7.81 56 E 7.73 3.71 0.00 1.94 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 2.16 2.11 0.00 57 I 7.70 4.17 1.91 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 1.27 0.48 0.79 0.00 0.00 58 I 7.67 5.29 2.09 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.94 0.77 0.00 0.00 59 K 9.29 5.18 0.00 1.87 1.99 0.00 1.36 0.00 0.00 1.76 0.00 0.00 3.19 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.58 1.45 7.81 60 R 8.50 5.09 0.00 1.06 1.15 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.32 0.00 61 Y 8.22 5.10 0.00 3.07 3.10 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 62 K 8.96 5.12 0.00 1.65 1.72 0.00 0.61 0.00 0.00 1.40 0.00 0.00 2.60 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.14 1.10 7.81 63 S 9.30 4.59 0.00 3.89 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 64 E 9.76 3.79 0.00 2.14 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 0.00 2.29 2.29 0.00 65 N 8.21 4.12 0.00 2.79 2.79 0.00 0.00 6.96 7.45 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 66 I 7.72 4.44 1.64 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.54 0.90 0.00 0.00 67 Y 8.21 4.70 0.00 2.71 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 0.00 0.00 0.00 68 F 8.71 4.50 0.00 1.51 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 9.21 5.18 0.00 2.79 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 70 S 9.01 5.22 0.00 3.95 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 71 S 8.75 4.52 0.00 4.00 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 72 N 8.98 5.18 0.00 2.70 2.89 0.00 0.00 6.91 7.97 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 73 I 7.81 4.55 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.87 1.17 0.00 0.00 74 K 8.63 4.22 0.00 1.85 1.71 0.00 1.74 0.00 0.00 1.91 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.49 7.81 75 E 8.47 2.98 0.00 1.16 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 1.83 1.47 0.00 76 D 7.70 4.33 0.00 2.62 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 77 D 7.83 4.48 0.00 2.80 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 78 I 7.80 4.03 2.00 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 1.57 1.85 1.22 0.00 0.00 79 K 8.45 4.40 0.00 2.16 1.97 0.00 1.71 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.50 7.81 *81 K 7.95 4.25 0.00 1.92 2.13 0.00 1.83 0.00 0.00 1.89 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.49 1.53 7.81 82 T 8.44 3.99 4.45 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 1.14 0.00 0.00 83 A 8.26 4.01 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.05 3.98 0.00 2.02 1.91 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.56 7.81 85 T 7.97 3.88 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 86 F 8.40 4.08 0.00 3.26 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 87 L 8.53 4.15 0.00 2.05 1.90 0.99 0.73 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 88 N 8.69 4.39 0.00 2.95 2.85 0.00 0.00 7.06 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 89 K 8.20 3.97 0.00 1.57 1.76 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.58 7.81 90 L 7.41 3.99 0.00 0.74 0.21 0.53 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 6.97 4.62 0.00 3.07 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.67 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.48 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 0.00 0.00 0.00 94 D 7.91 4.87 0.00 2.71 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *96 K 8.29 4.23 0.00 1.99 2.08 0.00 1.56 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.79 1.44 7.81 97 S 7.94 4.13 0.00 4.02 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 98 L 7.53 2.60 0.00 1.08 1.28 0.86 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.50 3.43 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 0.97 0.00 0.00 0.79 0.00 0.00 100 L 8.04 4.05 0.00 1.82 1.73 0.93 0.53 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 0.00 101 N 8.57 4.42 0.00 3.16 3.09 0.00 0.00 6.99 8.99 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 0.00 102 F 8.55 3.95 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 0.00 103 A 8.33 4.05 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 0.00 104 K 8.19 3.94 0.00 1.88 2.09 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.77 1.42 7.81 105 N 7.83 4.67 0.00 2.74 2.77 0.00 0.00 7.13 7.54 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 0.00 106 E 7.70 3.82 0.00 2.09 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 2.26 2.26 0.00 107 E 8.70 4.48 0.00 1.85 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 2.04 0.00 108 L 7.53 4.64 0.00 1.68 1.59 0.92 1.00 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 0.00 109 N 9.06 4.75 0.00 3.06 2.95 0.00 0.00 6.62 6.27 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 0.00 110 N 8.67 4.32 0.00 2.75 2.93 0.00 0.00 6.44 6.99 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 0.00 111 K 8.02 3.89 0.00 1.82 1.95 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.52 7.81 112 E 8.97 3.95 0.00 2.14 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 2.33 2.61 0.00 113 I 7.82 3.73 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.83 0.91 0.00 0.00 114 E 8.10 3.92 0.00 2.17 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 2.33 2.47 0.00 115 E 8.28 3.88 0.00 2.01 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 2.29 2.32 0.00 116 L 7.93 3.87 0.00 1.90 1.74 0.88 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.24 3.88 0.00 1.96 2.13 0.00 3.14 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 118 D 8.16 4.33 0.00 2.90 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 0.00 119 I 7.94 3.67 2.00 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 1.50 0.71 0.89 0.00 0.00 120 L 8.00 3.95 0.00 1.82 1.69 0.89 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 121 N 8.17 4.24 0.00 2.80 3.03 0.00 0.00 7.20 8.81 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 0.00 122 D 8.19 4.45 0.00 2.70 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 0.00 123 I 7.83 3.81 1.99 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 1.56 0.89 0.90 0.00 0.00 124 S 7.65 4.82 0.00 3.95 3.96 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 0.00 125 K 8.17 4.05 0.00 1.86 1.44 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.40 7.81 126 K 9.04 4.10 0.00 1.69 1.64 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.41 7.81 * Residues marked with a * may have inaccurate shift predictions.