NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 M 4.4802 8.1476 120.3544 55.1562 33.7618 176.8987 17 S 4.0845 8.4946 115.3243 60.8421 62.5214 174.4595 18 G 3.7120 8.2714 109.2129 47.8005 0.0000 176.5018 19 L 4.4642 8.0050 123.1490 57.5959 42.2153 179.0526 20 K 4.3537 8.1866 117.7731 58.8763 31.6985 179.0190 21 K 3.7958 7.5181 119.6043 59.0149 32.0465 177.8179 22 F 4.6985 7.7012 115.6526 57.5698 40.4600 176.0366 23 F 4.9687 8.1569 117.8461 54.9810 39.3861 173.4914 24 P 4.1385 0.0000 0.0000 64.7756 31.6896 177.8988 25 Y 4.9914 7.6565 113.9148 57.4734 38.5749 175.1704 26 S 4.7571 7.9819 114.2441 57.4092 66.9020 174.0779 27 T 4.4233 8.5662 112.9422 61.8076 70.2024 173.7099 28 N 5.2451 7.8941 117.6208 51.4244 42.3056 173.7998 29 V 4.5930 8.6711 113.8835 59.2175 36.3023 175.2099 30 L 4.6597 9.0171 122.0497 55.2985 43.0271 177.0105 31 K 4.3756 9.5130 123.0583 57.0302 33.4876 178.2670 32 G 3.7161 9.6802 119.3190 46.1511 0.0000 172.6503 33 A 4.0633 9.4185 122.2478 54.8538 19.3789 179.4729 34 A 4.2163 7.9510 118.8039 52.2128 19.1767 177.7397 35 A 4.9559 8.4428 125.1769 52.2219 19.5900 176.4887 36 D 4.7792 7.9872 118.8707 54.9718 43.0700 175.9200 37 I 3.6543 7.3709 120.1884 62.2119 37.5809 174.7699 38 A 4.7785 8.5052 128.6817 51.0110 20.0179 177.2449 39 L 3.9029 8.2429 123.8765 57.8954 41.9668 178.4424 40 P 4.2958 0.0000 0.0000 65.3235 30.9953 177.8513 41 S 4.4911 8.3394 111.3039 59.4887 63.3007 174.4360 42 L 4.4969 8.0874 122.6775 54.3547 41.8470 176.1097 43 A 4.2786 7.5278 122.2153 53.8586 18.6041 179.0209 44 G 4.0331 9.3765 109.7753 45.6627 0.0000 174.1440 45 K 4.6555 7.6867 119.2108 56.0100 34.4602 175.7206 46 T 4.7528 8.4803 117.8750 62.4533 70.4328 174.3503 47 V 4.8575 8.5060 125.7718 61.0461 34.7762 173.9434 48 F 4.8711 9.0303 126.5199 55.6966 41.4385 174.5806 49 F 5.0610 8.5589 123.5712 56.8060 40.4653 174.1966 50 Y 5.1945 9.1354 126.4626 56.0629 40.3253 174.3960 51 F 4.8846 9.1452 127.5786 56.1597 40.2625 175.2826 52 S 4.3919 7.8190 116.7943 57.6260 66.0689 172.2380 53 A 4.6164 7.5579 120.7450 50.8155 21.2754 177.8893 54 S 3.2119 8.6287 116.1740 60.5309 63.1578 175.5750 55 W 4.3793 7.5305 115.2100 56.9043 28.4807 175.5856 56 C 4.5490 7.1830 120.7963 57.3271 32.0308 171.8243 57 P 4.2707 0.0000 0.0000 65.3073 31.1168 176.8951 58 P 4.2945 0.0000 0.0000 66.0492 31.1110 178.1814 59 C 4.3337 8.0162 116.1956 62.7097 27.8756 175.7472 60 R 4.0559 7.8368 119.2617 59.3878 29.7262 178.1566 61 A 4.2002 8.0623 120.0108 54.9803 18.7558 179.0818 62 F 4.6627 8.7913 120.9471 60.9023 39.4382 177.3965 63 T 3.7719 8.6845 115.9012 66.4773 68.3630 174.4879 64 P 4.2409 0.0000 0.0000 65.5462 31.0343 178.6876 65 Q 3.9135 7.7819 116.3431 58.9421 28.6689 178.4173 66 L 3.8206 7.1310 121.1935 58.0899 41.9700 179.0642 67 I 3.9509 8.1564 120.3160 64.2769 36.9423 178.2423 68 D 4.3571 8.0472 119.8546 57.3249 40.6618 178.3581 69 F 4.0615 8.5019 121.3066 61.6110 39.4473 176.5237 70 Y 4.4179 8.8610 119.4599 60.9007 38.4602 178.1674 71 K 3.9538 8.2990 118.2322 59.1306 32.1570 179.0252 72 A 3.9469 7.8665 120.4708 54.7157 18.7152 178.4807 73 H 4.6048 7.9819 112.2997 55.4025 30.4960 176.2562 74 A 2.0000 7.1112 123.3331 54.6319 17.5392 179.3289 75 E 3.6431 7.5040 116.6348 59.2234 29.6642 178.9213 76 K 3.8967 7.5977 116.3344 59.6361 32.1998 178.4642 77 K 3.9876 8.3010 115.0147 56.4154 32.9015 176.3195 78 N 4.1101 7.6818 117.7024 54.6491 37.2839 171.5948 79 F 5.8094 7.9536 112.6200 55.3835 42.2686 175.0928 80 E 5.1838 9.6356 118.7739 54.8497 33.7737 174.1998 81 V 5.0327 8.7027 115.0667 59.7099 36.1635 174.3445 82 M 5.2235 9.1865 123.0533 53.4919 35.3726 174.2100 83 L 4.5627 9.2764 129.5829 55.3852 43.7851 175.6445 84 I 4.6253 8.7169 127.9583 59.4825 38.6611 174.2979 85 S 4.9260 8.8353 121.9565 57.5941 63.2449 173.4628 86 W 5.2939 9.0395 126.2772 56.8346 29.6169 176.3767 87 D 4.9982 9.1078 120.5449 55.0227 40.7300 176.2389 88 E 4.8866 8.9959 119.8624 56.4234 30.3191 176.5823 89 S 4.7015 7.5970 113.4040 55.7094 67.2310 174.5968 90 A 2.8515 8.1467 125.0406 54.8702 18.0925 179.9652 91 E 3.8439 7.8786 117.2808 59.5295 29.8812 178.3589 92 D 4.4166 8.2041 119.1433 57.4207 40.8533 178.5123 93 F 4.1549 8.1694 120.9126 61.3885 39.2459 176.7593 94 K 3.9481 8.5987 119.4402 60.0078 31.6881 178.3658 95 D 4.3488 8.0632 117.6425 57.3491 40.9649 177.8022 96 Y 4.3694 8.4318 120.5189 61.0517 38.8327 177.5945 97 Y 3.9171 8.1373 120.2153 60.2028 38.5281 177.4157 98 A 3.6673 7.3603 121.3146 54.6849 18.4392 178.2774 99 K 4.0583 7.2422 114.0631 56.9990 32.1678 176.6046 100 M 4.0461 7.1199 118.9611 52.5325 34.4473 174.1706 101 P 4.2728 0.0000 0.0000 63.1915 32.7604 176.3354 102 W 4.8569 6.2939 117.5551 55.8300 29.6486 174.9934 103 L 5.0814 8.6409 118.0413 54.6482 43.7828 175.5260 104 A 5.1358 8.4351 119.8572 50.4770 22.8613 175.3616 105 L 4.5996 8.7639 124.5687 53.6926 42.9313 175.2272 106 P 4.3306 0.0000 0.0000 62.7887 31.8035 176.7623 107 F 3.5544 8.0877 123.0471 61.2948 39.1702 176.2862 108 E 3.9256 8.1350 118.3704 59.0898 30.1211 177.7794 109 D 4.6233 7.6974 120.6057 53.1338 37.7506 176.7485 110 R 3.8047 7.4179 123.0379 59.0300 30.6759 178.7707 111 K 4.1751 8.0360 117.9520 59.1725 32.1940 179.5269 112 G 3.7558 8.6914 106.4372 47.7348 0.0000 175.6391 113 M 4.1714 7.9806 120.1432 58.7256 32.3455 178.2433 114 E 4.0353 8.6721 119.1945 59.2729 29.5109 179.0932 115 F 4.2685 8.7206 121.1447 61.3349 39.4694 177.2788 116 L 3.8324 8.0598 118.4276 57.9523 41.4164 179.4969 117 T 4.0017 8.5158 116.0529 67.1354 68.4657 176.8376 118 T 4.0321 8.1706 117.6827 66.2907 68.3123 177.1385 119 G 3.2920 7.7679 106.9454 47.3674 0.0000 174.7729 120 F 4.6393 7.8096 116.4721 56.0102 39.6763 175.3241 121 D 4.2724 7.9613 117.4306 55.2887 38.3706 175.1147 122 V 3.7410 7.8133 119.9536 62.4336 30.6358 175.2764 123 K 4.4362 8.5123 127.6684 57.9130 32.7258 177.1454 124 S 4.9099 7.6699 110.9958 56.9929 65.7038 172.9188 125 I 4.3950 7.7305 113.7518 57.8779 40.1337 173.2630 126 P 4.6147 0.0000 0.0000 63.1120 32.3472 175.6111 127 T 4.5911 8.5507 117.9992 61.6716 73.0264 172.6221 128 L 5.2474 8.4451 126.4971 53.4625 45.2084 174.7928 129 V 4.6465 8.9413 127.1677 61.0673 33.9405 174.3545 130 G 3.6328 9.0389 115.7720 44.5426 0.0000 172.7095 131 V 4.8041 7.8659 123.4054 60.9846 35.9344 173.7122 132 E 4.6918 8.9624 125.0568 54.8557 30.4362 176.8846 133 A 4.0802 8.6303 128.5885 55.6220 18.8297 178.4661 134 D 4.5566 8.2725 113.9370 57.5886 40.9947 178.2082 135 S 4.2464 8.0963 111.4336 58.8434 63.6479 175.2647 136 G 4.0786 8.5600 108.2223 45.6485 0.0000 173.1759 137 N 4.8000 8.1330 117.3201 53.0715 40.0605 173.9472 138 I 4.6146 8.2903 121.0990 60.5771 38.7904 175.5291 139 I 4.1749 8.6984 127.4567 62.9011 38.8050 175.5672 140 T 4.6277 7.3747 113.3059 61.6418 70.3466 173.2260 141 T 4.4127 9.6667 116.4684 61.5290 68.6463 174.7964 142 Q 4.5143 7.9153 120.9579 55.4507 29.6345 177.0442 143 A 3.8260 7.9804 120.6844 53.7733 17.2359 179.2610 144 R 3.3977 7.6447 117.7955 59.7558 29.9695 178.5518 145 T 3.9629 7.4011 108.7862 64.9446 68.7911 176.1655 146 M 3.5398 6.7509 117.9576 57.3849 31.3679 178.8060 147 V 3.1066 6.7905 118.1425 65.5432 31.6582 177.8468 148 V 3.9955 6.8995 110.4149 63.6219 31.9170 178.1914 149 K 4.1371 8.1240 118.6525 58.2022 33.5393 176.3962 150 D 4.9677 8.3035 118.2874 52.0641 41.0635 174.1355 151 P 4.8859 0.0000 0.0000 65.5578 31.9703 177.9474 152 E 4.1266 8.3149 116.2661 56.2075 29.8843 175.8470 153 A 4.1539 8.6764 121.8640 53.2722 16.4492 180.2796 154 K 4.1121 8.8577 121.2930 60.5252 32.6026 178.2204 155 D 4.8621 9.0215 117.1094 53.6907 41.1137 175.9285 156 F 2.7070 7.2609 120.8673 57.5710 39.5862 172.7682 157 P 2.9700 0.0000 0.0000 61.6393 31.9086 175.9197 158 W 3.6068 7.4702 115.5810 57.8899 26.4281 173.1255 159 P 4.4204 0.0000 0.0000 63.9461 32.3506 176.4433 160 N 4.2609 8.9021 118.4735 54.9401 37.7648 176.1631 161 V 3.8086 7.5955 111.0741 63.7755 32.2305 178.5766 162 E 4.1789 8.4433 117.6493 57.8175 29.4509 177.8989 163 A 4.0691 7.9571 124.0606 55.0100 18.8057 178.6380 164 K 3.9343 7.7552 118.5763 55.2133 31.8645 180.9781 *165 K 4.1936 8.4409 116.0371 56.7191 32.3269 171.4449 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 16 M 8.15 4.48 0.00 2.16 2.12 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 2.64 2.66 0.00 17 S 8.49 4.08 0.00 4.13 4.03 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 18 G 8.27 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 19 L 8.00 4.46 0.00 2.19 1.88 1.37 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.19 4.35 0.00 2.04 1.91 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.69 7.81 21 K 7.52 3.80 0.00 1.71 1.25 0.00 1.59 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.38 7.81 22 F 7.70 4.70 0.00 2.79 2.43 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 23 F 8.16 4.97 0.00 3.10 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 24 P 0.00 4.14 0.00 0.83 1.41 0.00 3.55 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.60 0.00 25 Y 7.66 4.99 0.00 3.26 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 26 S 7.98 4.76 0.00 3.97 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 27 T 8.57 4.42 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 28 N 7.89 5.25 0.00 2.58 2.80 0.00 0.00 6.71 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 8.67 4.59 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 0.61 0.00 0.00 0.99 0.00 0.00 30 L 9.02 4.66 0.00 1.79 1.82 1.01 0.87 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 31 K 9.51 4.38 0.00 1.77 1.75 0.00 2.03 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.52 7.81 32 G 9.68 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 33 A 9.42 4.06 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 34 A 7.95 4.22 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.44 4.96 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.99 4.78 0.00 2.65 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 37 I 7.37 3.65 2.06 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 1.29 0.77 0.95 0.00 0.00 38 A 8.51 4.78 1.26 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 0.00 0.00 0.00 39 L 8.24 3.90 0.00 1.70 1.80 0.80 0.35 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 40 P 0.00 4.30 0.00 2.17 2.15 0.00 3.53 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 41 S 8.34 4.49 0.00 4.00 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 42 L 8.09 4.50 0.00 1.86 1.79 1.01 1.24 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 43 A 7.53 4.28 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 44 G 9.38 4.03 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 0.00 0.00 0.00 45 K 7.69 4.66 0.00 1.94 1.84 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.67 1.55 7.81 46 T 8.48 4.75 4.50 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 0.69 0.00 0.00 47 V 8.51 4.86 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 0.89 0.00 0.00 0.97 0.00 0.00 48 F 9.03 4.87 0.00 3.02 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 49 F 8.56 5.06 0.00 2.81 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 9.14 5.19 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 51 F 9.15 4.88 0.00 2.60 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 0.00 0.00 0.00 0.00 52 S 7.82 4.39 0.00 2.72 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 53 A 7.56 4.62 0.41 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 54 S 8.63 3.21 0.00 3.78 3.55 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 55 W 7.53 4.38 0.00 3.50 3.22 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 56 C 7.18 4.55 0.00 1.97 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 57 P 0.00 4.27 0.00 2.24 2.13 0.00 3.74 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 58 P 0.00 4.29 0.00 2.25 2.32 0.00 3.64 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 59 C 8.02 4.33 0.00 3.09 3.12 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 60 R 7.84 4.06 0.00 1.86 2.21 0.00 3.30 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 61 A 8.06 4.20 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 62 F 8.79 4.66 0.00 3.07 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.68 3.77 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 1.26 0.00 0.00 64 P 0.00 4.24 0.00 2.13 2.07 0.00 3.76 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 65 Q 7.78 3.91 0.00 1.92 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 66 L 7.13 3.82 0.00 0.61 1.32 0.55 -0.34 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 67 I 8.16 3.95 1.99 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.78 0.83 0.00 0.00 68 D 8.05 4.36 0.00 2.96 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 F 8.50 4.06 0.00 3.14 3.24 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 70 Y 8.86 4.42 0.00 3.49 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 71 K 8.30 3.95 0.00 1.79 1.83 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.74 7.81 72 A 7.87 3.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 H 7.98 4.60 0.00 3.07 3.07 0.00 5.66 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 7.11 2.00 0.22 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 0.00 0.00 75 E 7.50 3.64 0.00 1.80 1.78 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 2.25 2.23 0.00 76 K 7.60 3.90 0.00 1.68 1.77 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.33 7.81 77 K 8.30 3.99 0.00 1.76 1.33 0.00 1.63 0.00 0.00 1.49 0.00 0.00 2.73 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.21 0.85 7.81 78 N 7.68 4.11 0.00 2.94 2.84 0.00 0.00 6.62 7.37 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 79 F 7.95 5.81 0.00 3.52 3.38 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 80 E 9.64 5.18 0.00 2.21 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 2.35 2.52 0.00 81 V 8.70 5.03 1.01 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 0.81 0.00 0.00 -0.83 0.00 0.00 82 M 9.19 5.22 0.00 2.34 2.08 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.63 0.00 83 L 9.28 4.56 0.00 2.16 1.75 1.08 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.72 4.63 0.97 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 0.97 0.42 0.79 0.00 0.00 85 S 8.84 4.93 0.00 4.38 4.32 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 86 W 9.04 5.29 0.00 3.14 3.53 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 87 D 9.11 5.00 0.00 3.07 2.87 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 88 E 9.00 4.89 0.00 2.03 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 2.43 2.25 0.00 89 S 7.60 4.70 0.00 3.97 3.92 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 90 A 8.15 2.85 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 91 E 7.88 3.84 0.00 2.04 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 2.39 2.41 0.00 92 D 8.20 4.42 0.00 2.97 2.81 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 93 F 8.17 4.15 0.00 3.02 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 94 K 8.60 3.95 0.00 2.10 2.06 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.61 7.81 95 D 8.06 4.35 0.00 2.76 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 96 Y 8.43 4.37 0.00 2.97 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 97 Y 8.14 3.92 0.00 2.35 2.59 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 98 A 7.36 3.67 1.26 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 0.00 0.00 0.00 99 K 7.24 4.06 0.00 1.57 1.66 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.51 7.81 100 M 7.12 4.05 0.00 0.56 1.57 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 2.02 1.89 0.00 101 P 0.00 4.27 0.00 2.13 1.94 0.00 2.20 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.52 0.00 102 W 6.29 4.86 0.00 3.59 2.57 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 0.00 103 L 8.64 5.08 0.00 2.15 1.80 1.10 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.44 5.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.76 4.60 0.00 1.84 1.70 1.15 1.13 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 0.00 106 P 0.00 4.33 0.00 2.25 2.21 0.00 3.81 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 107 F 8.09 3.55 0.00 1.51 2.63 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 0.00 108 E 8.13 3.93 0.00 1.96 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 2.35 2.43 0.00 109 D 7.70 4.62 0.00 2.76 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 0.00 110 R 7.42 3.80 0.00 1.72 1.82 0.00 2.53 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.40 0.00 111 K 8.04 4.18 0.00 1.72 1.95 0.00 1.35 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.40 7.81 112 G 8.69 3.76 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 0.00 0.00 0.00 113 M 7.98 4.17 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.05 3.03 0.00 114 E 8.67 4.04 0.00 2.23 2.02 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 2.32 2.62 0.00 115 F 8.72 4.27 0.00 3.18 3.24 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 0.00 116 L 8.06 3.83 0.00 2.05 1.97 0.32 0.47 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 0.00 117 T 8.52 4.00 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 1.45 0.00 0.00 118 T 8.17 4.03 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 119 G 7.77 3.29 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 0.00 120 F 7.81 4.64 0.00 2.98 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 0.00 121 D 7.96 4.27 0.00 2.86 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 0.00 122 V 7.81 3.74 1.89 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 0.35 0.00 0.00 0.14 0.00 0.00 123 K 8.51 4.44 0.00 1.83 1.92 0.00 1.85 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.60 1.38 7.81 124 S 7.67 4.91 0.00 3.96 3.86 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 0.00 125 I 7.73 4.40 1.48 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.45 -0.29 0.00 0.00 126 P 0.00 4.61 0.00 2.20 2.25 0.00 3.60 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 1.74 2.01 0.00 127 T 8.55 4.59 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 1.04 0.00 0.00 128 L 8.45 5.25 0.00 1.78 1.49 0.93 0.48 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 0.00 129 V 8.94 4.65 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 0.19 0.00 0.00 0.70 0.00 0.00 130 G 9.04 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 0.00 0.00 0.00 131 V 7.87 4.80 1.63 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 1.09 0.00 0.00 0.61 0.00 0.00 132 E 8.96 4.69 0.00 1.96 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 2.19 0.00 133 A 8.63 4.08 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 0.00 134 D 8.27 4.56 0.00 2.71 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 0.00 135 S 8.10 4.25 0.00 4.00 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 0.00 136 G 8.56 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 0.00 137 N 8.13 4.80 0.00 2.80 2.78 0.00 0.00 6.92 6.81 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 0.00 138 I 8.29 4.61 1.98 0.00 0.00 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 1.55 1.11 1.07 0.00 0.00 139 I 8.70 4.17 1.79 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.66 0.86 0.00 0.00 140 T 7.37 4.63 4.39 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 1.32 0.00 0.00 141 T 9.67 4.41 4.16 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 1.23 0.00 0.00 142 Q 7.92 4.51 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.87 0.00 0.00 0.00 0.00 0.00 2.18 2.38 0.00 143 A 7.98 3.83 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 0.00 144 R 7.64 3.40 0.00 1.50 1.58 0.00 2.86 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.87 0.00 145 T 7.40 3.96 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 1.03 0.00 0.00 146 M 6.75 3.54 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.31 0.00 147 V 6.79 3.11 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 0.67 0.00 0.00 0.26 0.00 0.00 148 V 6.90 4.00 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 0.94 0.00 0.00 0.97 0.00 0.00 149 K 8.12 4.14 0.00 1.71 1.75 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.43 1.42 7.81 150 D 8.30 4.97 0.00 2.91 2.97 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 0.00 151 P 0.00 4.89 0.00 2.31 2.30 0.00 4.00 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 2.07 2.06 0.00 152 E 8.31 4.13 0.00 2.02 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 2.33 2.27 0.00 153 A 8.68 4.15 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 K 8.86 4.11 0.00 1.96 1.93 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.50 7.81 155 D 9.02 4.86 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 0.00 156 F 7.26 2.71 0.00 2.52 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 0.00 157 P 0.00 2.97 0.00 1.55 0.62 0.00 3.68 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 158 W 7.47 3.61 0.00 3.55 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 0.00 159 P 0.00 4.42 0.00 2.17 2.02 0.00 3.92 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.93 0.00 160 N 8.90 4.26 0.00 2.98 2.85 0.00 0.00 7.07 7.32 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 0.00 161 V 7.60 3.81 2.02 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 0.74 0.00 0.00 0.94 0.00 0.00 162 E 8.44 4.18 0.00 2.11 2.02 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 2.31 2.32 0.00 163 A 7.96 4.07 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 0.00 164 K 7.76 3.93 0.00 1.78 1.69 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.40 1.28 7.81 *165 K 8.44 4.19 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.