NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4184 8.1627 118.3201 55.0588 33.3755 173.8958 2 M 3.9833 8.1526 120.7172 54.9152 32.0124 174.5022 3 R 4.4054 8.5191 126.1487 56.3837 32.3784 175.2455 4 F 4.8230 6.9644 113.9764 57.4053 39.9431 172.1026 5 M 5.1433 7.9944 117.3630 54.4118 35.9869 173.3232 6 L 5.0274 9.0998 122.8857 53.0573 46.7968 175.6967 7 L 5.0663 9.0995 120.4235 51.9204 44.9051 175.6653 8 F 5.7340 9.4567 118.2887 54.4563 41.7881 174.8015 9 S 4.5191 8.6578 115.4702 56.9714 64.5767 174.2089 10 R 3.3945 7.9953 119.9044 59.4762 29.7532 176.0797 11 Q 4.1567 7.6614 115.8810 54.9562 29.9755 176.4287 12 G 4.0404 8.5496 113.1221 45.5629 0.0000 173.9063 13 K 4.4562 7.6273 118.0251 54.1249 33.9043 176.4898 14 L 4.4971 8.5401 126.7256 55.1927 42.5314 176.3095 15 R 4.6069 9.2413 124.0462 55.6226 32.8676 175.5472 16 L 4.5617 7.0905 117.1035 54.3787 45.2198 172.6174 17 Q 4.9040 8.8059 124.6419 54.4201 31.8977 175.5623 18 K 4.4150 8.0117 122.0993 55.6205 35.4786 174.3540 19 W 5.1211 8.8872 128.3484 55.5168 30.2993 175.8914 20 Y 4.5232 8.6106 122.3560 57.1957 38.3540 175.7845 21 L 4.2227 8.5224 120.0198 54.8793 44.3849 173.8524 22 A 3.8496 7.7553 128.5601 51.3949 19.6110 176.3806 23 T 4.1230 7.5895 115.3502 61.5163 72.0266 174.0420 24 S 4.2029 8.4612 120.1064 57.9601 65.4670 174.3181 25 D 4.2689 8.5747 123.9207 58.0583 40.8706 178.3913 26 K 3.6937 8.1161 117.5448 59.9243 32.0376 178.0778 27 E 3.8366 7.9260 117.3591 60.4967 29.5662 178.8854 28 R 3.3144 7.8777 117.7092 57.9741 29.8204 178.7455 29 K 3.9532 7.8161 117.3274 60.5345 32.5093 177.8978 30 K 3.7215 9.0113 117.8377 59.8177 31.4982 179.3613 31 M 3.7702 8.6087 120.7140 56.2062 32.9512 179.0494 32 V 3.0323 9.3825 112.3865 66.9798 31.6662 178.2390 33 R 3.7145 5.8400 114.0664 59.4597 29.6191 177.9463 34 E 3.8067 8.3763 120.6666 58.6284 29.7673 178.8371 35 L 3.5571 8.4244 121.0945 57.6752 42.0010 179.0637 36 M 4.5906 7.4385 117.7033 58.7448 32.3339 178.1717 37 Q 3.9505 8.3218 119.5498 59.9694 28.9421 178.9860 38 V 3.6811 7.4992 118.6623 65.9942 31.7307 177.3403 39 V 3.5035 8.8554 119.7031 63.4062 31.2585 177.1244 40 L 4.2709 8.3765 119.4368 59.5394 42.4543 180.3185 41 A 3.9918 7.8283 119.9966 54.6399 19.0440 178.1053 42 R 4.2806 8.1401 115.7169 55.3986 31.2418 176.9117 43 K 4.1966 8.4934 121.1339 55.8169 32.6765 176.4819 44 P 4.4458 0.0000 0.0000 65.3743 31.7574 178.0971 45 K 4.0134 8.1856 118.1886 59.7210 32.0857 176.9740 46 M 4.1580 7.0918 114.6751 55.5732 32.0456 174.4711 47 C 4.4971 8.2359 113.8311 58.1053 32.2877 173.1565 48 S 5.4349 8.1125 114.1377 58.7574 64.2279 173.5929 49 F 5.8923 7.9210 118.3429 54.6434 41.8486 174.2452 50 L 4.8589 8.5099 123.8540 53.3272 46.0162 174.8374 51 E 4.9193 8.9016 124.5029 54.8547 30.4732 175.2534 52 W 4.7021 9.1530 135.0000 56.9407 34.1424 175.5593 53 R 2.8861 8.3019 122.7786 57.2769 27.2057 175.0695 54 D 4.8330 7.6803 124.0202 54.5903 42.0419 173.7453 55 L 4.5502 7.8626 117.9999 53.8206 43.4366 175.9397 56 K 4.9123 9.0617 120.7287 55.1522 33.9264 176.3414 57 V 4.4981 8.4767 118.2011 59.9762 34.7577 175.0550 58 V 5.3422 8.9421 121.7395 61.7110 35.3255 173.1281 59 Y 5.9995 8.7086 120.9729 57.3994 40.1550 173.3086 60 K 4.5487 8.5011 120.9630 54.7871 36.3729 174.6409 61 R 4.9552 8.7351 127.0553 55.6768 31.1612 175.2100 62 Y 4.4622 9.6014 125.4845 56.5263 39.4194 175.4544 63 A 3.5981 8.4246 132.4133 53.3932 17.5807 177.8884 64 S 4.3753 8.3901 103.4268 58.9614 63.4300 174.4974 65 L 4.6018 8.1776 122.4226 54.8914 45.7654 174.2523 66 Y 5.5085 9.1482 123.9800 56.5180 40.7738 174.5940 67 F 4.8588 8.8535 121.5344 56.0446 41.8463 174.3095 68 C 6.1658 9.0594 120.6352 57.4193 32.9580 172.6020 69 C 5.3542 8.2809 112.8700 58.6649 32.2677 172.1311 70 A 5.1820 7.8248 120.0424 50.2568 22.1709 175.0673 71 I 5.0287 9.3555 120.2404 58.1738 42.4788 174.2164 72 E 4.3209 8.7564 122.9713 56.2093 29.9442 178.7822 73 G 3.8518 8.5891 114.1548 48.6779 0.0000 173.7330 74 Q 4.2581 7.4273 121.7025 55.2744 28.5547 173.7328 75 D 4.5925 7.3093 115.3630 51.8300 45.2603 174.5237 76 N 4.5544 8.2954 120.0672 52.1861 38.7527 174.8007 77 E 3.5113 8.4022 126.9092 59.8705 29.5018 178.6076 78 L 4.0242 7.9512 116.8263 58.3844 41.5153 179.1106 79 I 3.6322 7.6695 118.7744 64.8990 38.2079 177.4433 80 T 3.9706 7.7323 116.0133 67.0400 68.4061 175.4982 81 L 4.1162 7.9758 121.3171 58.9297 41.8678 178.8399 82 E 4.0752 8.1857 117.9177 59.4377 29.6205 179.2536 83 L 4.1545 8.7965 121.3977 58.7363 42.1500 178.3775 84 I 3.6137 7.8661 117.9359 65.0810 37.1033 177.2993 85 H 3.9995 8.2814 118.6093 59.6421 29.7559 177.3721 86 R 3.8752 9.0458 121.6291 59.6341 30.0961 177.1822 87 Y 4.6247 8.4123 119.3544 61.3014 38.5797 178.4565 88 V 3.2343 7.5768 112.2071 64.9988 31.7244 177.7028 89 E 4.0299 8.1284 117.8580 60.4703 29.2192 178.4286 90 L 3.8465 8.5432 117.4643 57.9849 42.0239 180.0683 91 L 4.2362 8.3081 118.2682 58.6321 41.9512 178.5299 92 D 4.3618 9.2563 118.4482 58.1215 40.8106 177.9930 93 K 4.0721 8.4362 122.9954 58.8315 32.4949 178.2297 94 Y 4.2924 7.8857 119.0375 60.7151 39.0934 176.3878 95 F 4.7083 8.6753 114.5838 55.6662 39.6955 172.3381 96 G 3.6916 8.1113 115.6117 45.2604 0.0000 173.8081 97 S 4.4002 8.8852 117.5845 57.7128 61.3205 172.4376 98 V 3.8909 7.6291 124.1239 62.6142 32.7295 176.0855 99 C 4.5366 9.8606 120.2020 58.8345 34.1932 175.6593 100 E 3.1705 7.8562 122.6990 56.1724 32.0895 179.1349 101 L 3.7929 7.4123 118.0570 58.1113 43.2166 178.6639 102 D 4.4492 8.5561 118.8475 58.0683 40.3408 179.2471 103 I 3.7807 7.9613 119.6738 64.9156 36.9616 178.6336 104 I 3.6905 7.5010 118.9895 64.3753 37.2304 178.0728 105 F 4.2070 8.5429 117.2934 59.2798 38.9215 175.9101 106 N 5.4964 8.6707 115.9028 52.8958 40.1558 176.5506 107 F 4.3802 8.7888 116.1210 61.4407 37.8495 177.2056 108 E 3.3568 8.7603 116.7786 58.6370 29.6329 178.9403 109 K 4.5247 9.4139 119.6611 59.2223 32.5387 179.2577 110 A 4.2858 8.3837 120.2748 56.4668 18.4489 178.2157 111 Y 3.8744 9.4640 115.4705 60.5741 37.5615 179.6147 112 F 4.1261 7.7541 117.4365 61.1451 39.2745 177.8748 113 I 3.5130 8.3998 117.8407 65.3163 37.0644 177.5143 114 L 3.8635 8.7491 120.3847 58.9739 41.9735 179.1469 115 D 4.3352 8.7355 118.6523 57.0415 41.2294 177.8709 116 E 4.7657 8.7273 117.6290 56.1793 30.9707 176.3001 117 F 4.9530 9.4150 122.4614 59.1483 41.5028 174.7483 118 L 5.0426 7.7056 117.7169 53.1567 44.3869 175.3776 119 M 4.8411 8.7368 120.4639 55.1401 35.6578 174.9767 120 G 4.1179 9.9543 111.9284 46.8530 0.0000 173.8974 121 G 3.7033 9.8826 103.1579 45.5395 0.0000 173.0484 122 D 4.7086 7.9849 119.1883 53.1712 44.7588 173.6227 123 V 4.2563 8.1483 120.2343 62.3019 31.8650 176.0941 124 Q 4.3363 8.8430 125.9442 57.6894 29.3083 174.8674 125 D 4.8090 7.8261 116.4301 53.7369 45.0481 174.5741 126 T 4.3930 8.2036 107.0185 62.5675 71.0676 173.3727 127 S 3.9904 8.1863 116.7599 58.1641 62.3101 174.3374 128 K 3.7481 8.9421 128.1971 59.7782 32.2830 179.6609 129 K 3.9141 8.3591 117.3691 60.1793 32.7137 179.3907 130 S 4.0008 8.5517 113.6346 61.9558 62.4070 175.8929 131 V 3.6104 7.9953 121.3715 65.8001 31.1256 177.5683 132 L 3.6703 8.5559 115.1321 57.9975 41.8693 180.5883 133 K 4.3468 8.7702 118.3154 59.7629 32.4650 178.2259 134 A 3.9995 8.2642 121.5084 54.5901 18.0893 179.1251 135 I 3.5726 8.1773 117.1048 64.9205 38.4562 176.9932 136 E 4.0874 9.0197 120.0344 59.1519 28.7959 178.3390 137 Q 3.9801 8.4514 117.1260 59.2490 29.0505 179.3957 138 A 3.9818 8.1264 121.4148 55.4138 18.3998 179.0041 139 D 4.3012 8.0778 116.7573 57.8039 41.0326 179.3497 140 L 3.9461 7.4618 118.1185 57.8197 41.4043 179.3607 141 L 3.8849 7.6932 118.8075 58.3256 42.2990 178.1611 142 Q 4.0197 8.1351 118.7457 59.6160 28.7649 178.2410 143 E 3.9459 8.2947 119.0035 59.7778 29.5113 179.3155 144 E 4.4016 7.8476 116.6572 57.6885 29.4691 178.4745 145 D 4.5188 8.3683 119.7070 56.8831 41.2819 177.8508 146 E 4.3286 8.0590 118.1600 57.7313 30.2676 176.5772 147 S 4.5449 7.8444 118.0295 55.7251 62.5691 171.8985 148 P 4.2941 0.0000 0.0000 63.0734 30.5711 177.8255 *149 R 4.1254 7.6972 119.6627 57.2520 30.0134 177.2642 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 8.16 4.42 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.67 0.00 2 M 8.15 3.98 0.00 1.54 1.68 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.01 0.00 3 R 8.52 4.41 0.00 1.74 1.27 0.00 3.33 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.67 0.00 4 F 6.96 4.82 0.00 2.85 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 5 M 7.99 5.14 0.00 2.02 1.79 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.50 0.00 6 L 9.10 5.03 0.00 1.06 0.97 0.53 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 7 L 9.10 5.07 0.00 1.51 1.35 0.74 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 8 F 9.46 5.73 0.00 3.08 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 9 S 8.66 4.52 0.00 3.90 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 10 R 8.00 3.39 0.00 1.51 1.84 0.00 2.88 0.00 0.00 2.96 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 11 Q 7.66 4.16 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.39 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 12 G 8.55 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 0.00 0.00 0.00 0.00 13 K 7.63 4.46 0.00 1.78 1.74 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.56 1.32 7.81 14 L 8.54 4.50 0.00 1.63 1.60 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 15 R 9.24 4.61 0.00 1.81 1.88 0.00 3.40 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.65 0.00 16 L 7.09 4.56 0.00 1.69 1.39 -0.07 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.81 4.90 0.00 1.66 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.41 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 18 K 8.01 4.42 0.00 1.85 1.68 0.00 1.54 0.00 0.00 1.85 0.00 0.00 3.04 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.58 1.75 7.81 19 W 8.89 5.12 0.00 3.24 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 20 Y 8.61 4.52 0.00 3.02 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 21 L 8.52 4.22 0.00 1.69 1.70 0.97 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.76 3.85 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.59 4.12 3.94 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 0.93 0.00 0.00 24 S 8.46 4.20 0.00 3.94 3.80 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 25 D 8.57 4.27 0.00 2.64 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 26 K 8.12 3.69 0.00 1.78 1.80 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.50 7.81 27 E 7.93 3.84 0.00 2.00 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 2.32 2.38 0.00 28 R 7.88 3.31 0.00 1.80 1.30 0.00 2.71 0.00 0.00 2.25 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.20 0.00 29 K 7.82 3.95 0.00 1.90 1.91 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.57 1.53 7.81 30 K 9.01 3.72 0.00 1.86 1.89 0.00 1.59 0.00 0.00 1.85 0.00 0.00 3.13 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.73 7.81 31 M 8.61 3.77 0.00 2.32 2.48 0.00 0.00 0.00 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 3.05 0.00 32 V 9.38 3.03 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.16 0.00 0.00 33 R 5.84 3.71 0.00 2.09 2.15 0.00 2.88 0.00 0.00 3.20 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.71 0.00 34 E 8.38 3.81 0.00 2.22 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 0.00 2.36 2.45 0.00 35 L 8.42 3.56 0.00 1.61 1.33 -0.79 0.82 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 36 M 7.44 4.59 0.00 2.45 2.30 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 2.75 2.69 0.00 37 Q 8.32 3.95 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 38 V 7.50 3.68 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 0.80 0.00 0.00 0.91 0.00 0.00 39 V 8.86 3.50 2.36 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 0.87 0.00 0.00 0.96 0.00 0.00 40 L 8.38 4.27 0.00 1.91 1.93 0.99 1.54 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 41 A 7.83 3.99 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 42 R 8.14 4.28 0.00 1.92 1.95 0.00 3.15 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.95 0.00 43 K 8.49 4.20 0.00 1.80 1.75 0.00 1.69 0.00 0.00 1.89 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.39 7.81 44 P 0.00 4.45 0.00 2.16 2.19 0.00 3.78 0.00 0.00 3.67 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 45 K 8.19 4.01 0.00 1.77 1.91 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.46 7.81 46 M 7.09 4.16 0.00 2.12 2.14 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 2.79 2.53 0.00 47 C 8.24 4.50 0.00 2.90 2.92 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 0.00 0.00 0.00 48 S 8.11 5.43 0.00 3.24 4.19 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 49 F 7.92 5.89 0.00 2.91 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 50 L 8.51 4.86 0.00 1.61 1.41 0.87 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.90 4.92 0.00 1.93 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 2.27 2.33 0.00 52 W 9.15 4.70 0.00 3.28 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 53 R 8.30 2.89 0.00 0.67 0.66 0.00 2.96 0.00 0.00 2.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.14 0.00 54 D 7.68 4.83 0.00 2.70 2.65 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 55 L 7.86 4.55 0.00 1.57 1.57 0.83 0.75 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 56 K 9.06 4.91 0.00 1.54 1.60 0.00 1.56 0.00 0.00 1.51 0.00 0.00 2.73 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.32 7.81 57 V 8.48 4.50 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 0.86 0.00 0.00 1.00 0.00 0.00 58 V 8.94 5.34 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 1.66 0.00 0.00 0.89 0.00 0.00 59 Y 8.71 6.00 0.00 2.91 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 60 K 8.50 4.55 0.00 1.96 1.94 0.00 1.87 0.00 0.00 2.12 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.50 7.81 61 R 8.74 4.96 0.00 2.08 1.90 0.00 3.35 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 62 Y 9.60 4.46 0.00 3.16 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 63 A 8.42 3.60 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 64 S 8.39 4.38 0.00 3.88 3.88 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 65 L 8.18 4.60 0.00 1.70 1.66 0.85 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 9.15 5.51 0.00 2.83 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 67 F 8.85 4.86 0.00 2.96 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 68 C 9.06 6.17 0.00 2.80 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 69 C 8.28 5.35 0.00 2.87 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 70 A 7.82 5.18 0.72 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 71 I 9.36 5.03 1.74 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.33 0.82 0.00 0.00 72 E 8.76 4.32 0.00 1.86 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 2.30 2.44 0.00 73 G 8.59 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 74 Q 7.43 4.26 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.65 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 75 D 7.31 4.59 0.00 2.75 2.33 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 76 N 8.30 4.55 0.00 2.78 2.66 0.00 0.00 6.85 7.65 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 77 E 8.40 3.51 0.00 1.32 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 1.54 2.00 0.00 78 L 7.95 4.02 0.00 1.73 1.78 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 79 I 7.67 3.63 2.01 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 1.64 0.62 0.94 0.00 0.00 80 T 7.73 3.97 4.41 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 1.17 0.00 0.00 81 L 7.98 4.12 0.00 1.95 2.00 1.05 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.19 4.08 0.00 2.25 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 2.42 2.53 0.00 83 L 8.80 4.15 0.00 1.69 1.93 0.78 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.87 3.61 1.92 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 1.77 0.85 0.55 0.00 0.00 85 H 8.28 4.00 0.00 3.29 3.52 0.00 5.69 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 9.05 3.88 0.00 2.10 2.34 0.00 3.12 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 87 Y 8.41 4.62 0.00 3.10 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 88 V 7.58 3.23 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 -0.26 0.00 0.00 1.00 0.00 0.00 89 E 8.13 4.03 0.00 2.36 2.17 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 2.32 2.47 0.00 90 L 8.54 3.85 0.00 2.03 1.73 0.80 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.31 4.24 0.00 1.70 1.64 -0.18 0.78 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 92 D 9.26 4.36 0.00 2.78 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 93 K 8.44 4.07 0.00 1.86 1.91 0.00 1.87 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.49 7.81 94 Y 7.89 4.29 0.00 2.99 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 95 F 8.68 4.71 0.00 3.00 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 96 G 8.11 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 97 S 8.89 4.40 0.00 4.09 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 98 V 7.63 3.89 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 0.72 0.00 0.00 0.48 0.00 0.00 99 C 9.86 4.54 0.00 2.88 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 0.00 100 E 7.86 3.17 0.00 2.05 1.80 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 2.35 2.33 0.00 101 L 7.41 3.79 0.00 1.84 1.63 1.08 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 102 D 8.56 4.45 0.00 2.41 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 7.96 3.78 1.96 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.30 0.92 0.00 0.00 104 I 7.50 3.69 1.87 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 1.59 0.76 0.68 0.00 0.00 105 F 8.54 4.21 0.00 3.14 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 N 8.67 5.50 0.00 3.18 3.19 0.00 0.00 6.55 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 0.00 107 F 8.79 4.38 0.00 3.55 3.41 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 0.00 108 E 8.76 3.36 0.00 2.50 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 0.00 2.81 2.84 0.00 109 K 9.41 4.52 0.00 2.31 2.07 0.00 1.93 0.00 0.00 1.91 0.00 0.00 3.13 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.65 1.77 7.81 110 A 8.38 4.29 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 Y 9.46 3.87 0.00 2.92 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 0.00 112 F 7.75 4.13 0.00 3.40 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 0.00 113 I 8.40 3.51 2.32 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.43 1.18 0.00 0.00 114 L 8.75 3.86 0.00 1.10 1.63 0.19 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 115 D 8.74 4.34 0.00 2.67 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 0.00 116 E 8.73 4.77 0.00 2.15 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 2.34 2.40 0.00 117 F 9.41 4.95 0.00 2.77 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 7.71 5.04 0.00 1.48 1.37 0.41 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 119 M 8.74 4.84 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 120 G 9.95 4.12 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 0.00 121 G 9.88 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 0.00 122 D 7.98 4.71 0.00 2.63 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.15 4.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.87 0.00 0.00 124 Q 8.84 4.34 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.41 0.00 0.00 0.00 0.00 0.00 2.66 2.44 0.00 125 D 7.83 4.81 0.00 2.69 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.20 4.39 4.28 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 1.27 0.00 0.00 127 S 8.19 3.99 0.00 3.87 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 0.00 128 K 8.94 3.75 0.00 1.83 1.84 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.46 7.81 129 K 8.36 3.91 0.00 1.81 1.84 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.42 7.81 130 S 8.55 4.00 0.00 3.85 3.94 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 0.00 131 V 8.00 3.61 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 0.93 0.00 0.00 0.79 0.00 0.00 132 L 8.56 3.67 0.00 1.79 1.64 1.06 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 133 K 8.77 4.35 0.00 2.02 1.84 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.61 7.81 134 A 8.26 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 I 8.18 3.57 1.93 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 1.20 0.62 0.98 0.00 0.00 136 E 9.02 4.09 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 137 Q 8.45 3.98 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 138 A 8.13 3.98 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 0.00 139 D 8.08 4.30 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 0.00 140 L 7.46 3.95 0.00 1.95 1.73 0.92 0.47 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 0.00 141 L 7.69 3.88 0.00 1.61 1.81 0.92 0.65 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 0.00 142 Q 8.14 4.02 0.00 2.07 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 143 E 8.29 3.95 0.00 2.21 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 2.37 0.00 144 E 7.85 4.40 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 145 D 8.37 4.52 0.00 2.83 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 0.00 146 E 8.06 4.33 0.00 1.95 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 2.29 2.46 0.00 147 S 7.84 4.54 0.00 3.93 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 0.00 148 P 0.00 4.29 0.00 2.17 2.14 0.00 3.81 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 *149 R 7.70 4.13 0.00 1.60 1.79 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.