NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 5.0141 8.1832 117.5653 52.3877 38.9685 174.8205 2 L 4.0903 8.3886 117.2318 56.8743 41.3844 178.5358 3 F 4.1238 9.3039 121.7194 61.4995 39.6895 176.8399 4 Q 4.1154 8.8543 117.6255 58.9584 28.4826 178.2807 5 F 4.5582 8.5597 121.8569 61.3776 39.3501 177.0130 6 G 3.6736 8.5435 105.6271 48.2163 0.0000 175.2450 7 D 4.3871 7.9312 121.3633 57.2182 40.8592 178.7566 8 M 4.3882 8.5253 119.5863 58.5791 31.9047 178.8108 9 I 3.4627 7.8523 120.2108 64.1812 37.1594 177.9722 10 L 4.1193 8.0601 122.8015 57.7069 41.7547 178.9363 11 Q 3.7140 7.9839 119.0569 58.6839 28.9411 177.8254 12 K 4.2837 8.0833 118.8946 57.3552 32.2950 178.3411 13 T 4.3578 8.0888 107.4104 60.3726 70.8836 175.3753 14 G 3.7408 8.2976 109.9512 45.5899 0.0000 172.9912 *16 K 4.6098 7.4154 117.6050 56.1460 33.3952 174.6277 17 E 4.3564 8.3641 120.7927 55.4242 30.2214 177.1638 18 A 4.1329 8.9291 126.6059 55.7976 18.1188 179.6646 19 V 3.6958 7.7742 108.3950 63.7912 31.7478 177.2119 20 H 4.8575 7.9180 114.4834 54.9367 29.2832 175.0605 21 S 4.7426 7.7628 114.1342 58.6456 66.6086 175.3664 22 Y 4.2488 8.4292 118.4194 60.4469 38.9426 178.6429 23 A 4.3122 8.6614 123.2041 54.5457 18.7404 178.4426 24 I 4.4966 8.0300 108.1997 60.5398 38.4660 173.6613 25 Y 4.8556 8.2354 122.3420 57.4001 40.3544 176.2772 26 G 3.9214 8.4648 116.6419 46.1238 0.0000 172.4351 27 C 4.7562 9.1598 114.5136 57.2133 41.6151 174.7001 28 Y 4.2094 8.8180 115.5252 58.4682 40.0743 176.4200 29 C 4.6728 8.9621 116.5522 59.3333 41.1531 173.8598 30 G 4.7186 7.8195 110.5159 44.9797 0.0000 174.8046 31 W 4.5016 9.0322 116.1554 55.9053 28.8650 175.8975 32 G 4.0537 7.8262 113.4720 44.0075 0.0000 171.4796 33 G 3.9600 8.8158 111.9000 44.9387 0.0000 172.3783 34 Q 4.4608 6.4401 115.0034 55.2855 31.5184 173.9806 35 G 4.2343 8.7129 104.6009 44.6623 0.0000 172.0827 36 R 4.2794 8.1787 118.2997 55.1080 29.8675 175.7857 37 A 4.4500 9.0921 128.9087 52.3988 18.5544 178.5481 38 Q 3.8278 9.5804 124.0610 58.7590 29.0637 175.7364 39 D 4.3365 6.9789 111.7875 51.7713 42.9103 175.8732 40 A 3.9787 8.4723 119.7674 55.9182 18.0985 179.7792 41 T 3.8114 8.0223 113.7442 67.0413 68.5748 176.1319 42 D 4.5201 8.7480 119.8852 57.5016 41.1627 178.4633 43 R 3.9645 8.4873 119.0714 59.2158 29.9988 178.1644 44 C 4.1707 8.4424 116.6772 60.5117 41.4396 175.7087 45 C 4.2811 7.9755 117.8824 59.8014 38.4315 175.8540 46 F 4.1365 8.5208 122.2705 61.2409 38.8266 177.0590 47 A 3.5895 8.0642 120.6236 54.8701 18.0759 179.3708 48 Q 3.4620 7.8432 118.0347 59.1546 28.8417 177.9259 49 D 4.2240 7.5365 118.5990 57.8575 41.3492 178.1335 50 C 4.1990 7.7981 116.8791 60.0228 35.7949 175.4706 51 C 4.1246 8.1362 120.3832 59.9300 41.8784 175.2124 52 Y 4.3589 8.2353 118.8295 60.9708 37.1902 178.3820 53 G 3.8085 7.6841 104.1287 46.2454 0.0000 175.1643 54 R 4.2552 7.8065 119.4251 56.5863 30.5178 175.6281 55 N 5.0907 7.2170 114.1060 50.8152 40.5780 173.3801 56 L 4.4812 8.1935 118.6921 53.2582 43.8456 177.5137 *59 V 3.6849 7.9967 123.4788 62.8471 32.8663 175.2344 *61 C 5.0896 7.7419 113.9676 56.8213 41.9314 173.2060 *67 N 5.3755 8.0870 117.8315 52.9567 37.8649 172.9733 68 P 4.0651 0.0000 0.0000 64.8982 31.7195 179.4028 69 K 4.0342 7.9554 117.2997 58.8347 31.9610 177.9155 70 T 4.2144 7.5838 105.8230 61.4774 70.1203 174.0282 71 A 3.8411 7.8353 125.4090 53.0867 18.1209 177.3822 72 T 4.2480 8.2645 120.8137 62.4650 68.3631 174.0908 73 Y 4.6788 7.3557 124.8754 55.7967 40.1054 175.0600 74 T 4.8785 9.4665 111.1725 60.3412 70.5610 173.4227 75 Y 5.5158 8.4479 123.0713 55.8428 41.5400 173.6160 76 S 4.1129 8.9242 113.9897 56.8856 67.4137 172.3955 77 F 5.4968 8.2594 118.9189 56.3507 40.3397 175.9630 78 E 4.3810 9.1361 123.0453 55.0822 31.5994 175.1940 79 N 4.1684 9.6643 125.8768 54.6107 37.1745 174.9223 80 G 3.8719 8.1326 102.3795 45.5821 0.0000 172.8808 81 D 4.7637 7.8312 119.5764 53.1582 42.5569 174.5797 82 I 5.0736 8.1989 123.1963 59.7108 39.1282 175.2908 83 V 4.3975 9.0697 127.3084 61.2399 34.0800 173.5035 84 C 4.9593 8.9295 125.9732 56.3088 40.5012 173.9305 85 G 3.6752 9.4236 111.7944 47.1706 0.0000 173.8975 86 D 4.5298 7.9573 121.2068 54.2864 41.5348 176.5987 *88 N 5.2240 8.7609 119.4297 53.2619 40.9276 174.8815 89 D 4.6547 7.7183 116.8303 53.6489 41.3253 174.8421 90 L 4.2910 8.2436 117.5487 58.1896 42.6037 180.0456 91 C 4.2543 7.8966 115.5192 60.0777 41.5738 175.9913 92 L 4.0122 8.1767 119.7961 57.9080 41.3155 179.4704 93 R 3.8004 8.5140 118.3823 59.4223 29.9645 178.4563 94 A 3.9663 8.0278 120.5581 55.0294 18.2844 179.8132 95 V 3.5445 8.3579 117.1207 66.1763 31.6103 177.3526 96 C 2.8481 7.8608 118.1277 59.3394 43.0406 175.3675 97 E 3.8045 8.3279 120.4142 59.5227 28.9955 178.6262 98 C 4.1070 8.2596 116.5512 60.2726 41.4428 176.0632 99 D 3.8337 8.1591 120.4579 57.0626 40.2645 178.8368 100 R 3.8582 8.3184 119.4678 59.3350 30.1037 178.2398 101 A 3.9238 8.2025 120.6548 55.2996 18.2787 179.5581 102 A 3.8889 8.1518 118.9111 55.0874 18.4824 179.7682 103 A 3.8492 8.4143 119.4153 55.3075 18.5246 179.6493 104 I 3.6235 7.9930 118.7007 64.8839 36.9953 177.8113 105 C 4.7556 7.7030 118.9528 59.2409 44.4134 175.2427 106 L 4.0530 8.3026 121.1977 57.7406 40.9082 179.8058 107 G 3.7150 7.7866 105.9844 47.0501 0.0000 175.3936 108 E 4.2100 8.4512 120.5029 58.2121 29.3439 177.9340 109 N 5.1533 7.8531 114.7640 52.8421 39.7612 176.6839 110 V 3.8590 7.9111 114.5620 64.1760 31.7831 177.9707 111 N 4.4313 8.3691 116.5210 55.2003 36.9759 175.5189 112 T 4.5468 7.7844 106.5655 60.9298 69.0296 173.2309 113 Y 3.9816 7.9280 124.1016 58.5599 39.1797 174.6496 114 D 5.0076 9.0380 126.7509 52.0742 43.0927 176.3567 115 K 4.3155 8.6941 127.0280 59.1646 32.2407 178.5638 116 N 4.4320 8.1131 115.0255 54.9239 38.6055 175.2923 117 Y 4.2411 7.5657 116.1032 58.0840 38.4945 175.1422 118 E 4.1702 7.8839 122.0584 57.5355 30.0278 177.3781 119 Y 3.9907 9.0959 120.5003 58.2266 36.6517 170.4439 120 Y 4.2304 7.6934 121.3820 60.7591 38.8606 178.5103 121 S 4.2716 8.1755 112.4721 60.3709 64.0419 175.3248 122 I 3.6731 8.0300 123.3619 64.4853 36.8250 177.9694 *124 S 4.7347 7.7552 110.0389 57.9581 64.6930 173.1259 125 H 4.6126 6.9988 118.6655 55.9434 30.5809 172.6498 126 C 4.2035 8.9604 115.8312 59.7160 37.3718 173.5982 127 T 4.2450 8.0967 107.5672 61.2627 69.7996 173.6645 128 E 4.5347 7.6991 120.7728 54.2534 31.7527 174.8457 129 E 4.1904 8.4978 120.0182 56.5809 30.0453 176.8970 130 S 4.8940 8.2693 119.2406 57.3570 63.8301 173.9293 131 E 3.9099 8.2705 122.1456 56.4650 29.5379 176.8102 132 Q 4.7613 7.9681 119.0342 54.0833 32.0334 176.5367 133 C 4.5362 9.1086 118.3890 57.4224 41.2162 173.5673 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 N 8.18 5.01 0.00 2.97 3.09 0.00 0.00 6.14 5.79 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 2 L 8.39 4.09 0.00 1.94 1.93 1.07 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 3 F 9.30 4.12 0.00 3.11 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 4 Q 8.85 4.12 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.60 2.65 0.00 5 F 8.56 4.56 0.00 3.34 3.27 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 6 G 8.54 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.93 4.39 0.00 3.06 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 8 M 8.53 4.39 0.00 2.15 2.39 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.71 0.00 9 I 7.85 3.46 1.73 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 -0.10 0.82 0.00 0.00 10 L 8.06 4.12 0.00 1.75 1.82 0.85 0.41 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 11 Q 7.98 3.71 0.00 1.86 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.47 0.00 0.00 0.00 0.00 0.00 1.82 1.16 0.00 12 K 8.08 4.28 0.00 1.80 1.79 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.64 7.81 13 T 8.09 4.36 4.29 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 1.21 0.00 0.00 14 G 8.30 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *16 K 7.42 4.61 0.00 1.84 1.58 0.00 1.10 0.00 0.00 0.99 0.00 0.00 2.48 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.25 7.81 17 E 8.36 4.36 0.00 2.09 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 0.00 2.35 2.29 0.00 18 A 8.93 4.13 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 19 V 7.77 3.70 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 0.85 0.00 0.00 0.85 0.00 0.00 20 H 7.92 4.86 0.00 3.18 3.30 0.00 5.83 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.76 4.74 0.00 3.34 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.43 4.25 0.00 3.18 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 23 A 8.66 4.31 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.03 4.50 1.48 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.95 0.88 0.00 0.00 25 Y 8.24 4.86 0.00 3.23 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 26 G 8.46 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 0.00 0.00 0.00 27 C 9.16 4.76 0.00 3.11 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 28 Y 8.82 4.21 0.00 3.30 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 29 C 8.96 4.67 0.00 3.56 3.62 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 0.00 0.00 0.00 0.00 30 G 7.82 4.72 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 31 W 9.03 4.50 0.00 3.36 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 32 G 7.83 4.05 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 0.00 0.00 0.00 33 G 8.82 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 0.00 0.00 0.00 34 Q 6.44 4.46 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.44 0.00 0.00 0.00 0.00 0.00 2.18 2.45 0.00 35 G 8.71 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.18 4.28 0.00 1.82 1.88 0.00 3.24 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 37 A 9.09 4.45 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 0.00 0.00 0.00 0.00 0.00 38 Q 9.58 3.83 0.00 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.63 0.00 0.00 0.00 0.00 0.00 1.97 1.22 0.00 39 D 6.98 4.34 0.00 2.80 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 40 A 8.47 3.98 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 41 T 8.02 3.81 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 42 D 8.75 4.52 0.00 2.98 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.49 3.96 0.00 2.03 1.98 0.00 3.19 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 44 C 8.44 4.17 0.00 3.09 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 7.98 4.28 0.00 3.30 3.42 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 46 F 8.52 4.14 0.00 2.34 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 47 A 8.06 3.59 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 48 Q 7.84 3.46 0.00 1.85 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 1.16 1.70 0.00 49 D 7.54 4.22 0.00 2.70 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 50 C 7.80 4.20 0.00 2.70 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 51 C 8.14 4.12 0.00 2.90 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 52 Y 8.24 4.36 0.00 3.05 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.68 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.81 4.26 0.00 1.91 1.97 0.00 3.24 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.73 0.00 55 N 7.22 5.09 0.00 2.77 2.72 0.00 0.00 6.82 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.19 4.48 0.00 1.62 1.61 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 *59 V 8.00 3.68 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 0.99 0.00 0.00 0.92 0.00 0.00 *61 C 7.74 5.09 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 *67 N 8.09 5.38 0.00 2.69 2.73 0.00 0.00 7.69 7.71 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 68 P 0.00 4.07 0.00 1.56 0.57 0.00 3.41 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.47 0.00 69 K 7.96 4.03 0.00 1.87 1.85 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.49 7.81 70 T 7.58 4.21 4.21 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 1.19 0.00 0.00 71 A 7.84 3.84 1.34 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 0.00 0.00 72 T 8.26 4.25 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 1.12 0.00 0.00 73 Y 7.36 4.68 0.00 3.21 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 T 9.47 4.88 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 1.42 0.00 0.00 75 Y 8.45 5.52 0.00 3.04 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 76 S 8.92 4.11 0.00 3.73 3.77 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 77 F 8.26 5.50 0.00 3.03 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 78 E 9.14 4.38 0.00 2.02 1.88 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 2.24 2.24 0.00 79 N 9.66 4.17 0.00 2.83 2.85 0.00 0.00 7.22 7.98 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 80 G 8.13 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 81 D 7.83 4.76 0.00 2.78 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 82 I 8.20 5.07 1.98 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.05 0.99 0.00 0.00 83 V 9.07 4.40 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 1.00 0.00 0.00 0.98 0.00 0.00 84 C 8.93 4.96 0.00 3.01 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 85 G 9.42 3.68 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 0.00 0.00 0.00 86 D 7.96 4.53 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 *88 N 8.76 5.22 0.00 2.69 2.88 0.00 0.00 7.38 8.47 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 89 D 7.72 4.65 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 90 L 8.24 4.29 0.00 1.76 1.64 0.91 0.89 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 91 C 7.90 4.25 0.00 3.00 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 92 L 8.18 4.01 0.00 1.95 2.01 1.02 0.90 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 93 R 8.51 3.80 0.00 2.04 1.98 0.00 3.18 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 94 A 8.03 3.97 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 95 V 8.36 3.54 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 1.15 0.00 0.00 0.82 0.00 0.00 96 C 7.86 2.85 0.00 1.98 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 97 E 8.33 3.80 0.00 2.03 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 2.48 2.44 0.00 98 C 8.26 4.11 0.00 3.19 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 99 D 8.16 3.83 0.00 2.73 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 0.00 100 R 8.32 3.86 0.00 1.82 2.03 0.00 3.15 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 101 A 8.20 3.92 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 0.00 102 A 8.15 3.89 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 0.00 103 A 8.41 3.85 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.99 3.62 2.07 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 1.41 1.00 0.90 0.00 0.00 105 C 7.70 4.76 0.00 3.06 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 0.00 106 L 8.30 4.05 0.00 1.57 1.25 0.14 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 107 G 7.79 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 0.00 108 E 8.45 4.21 0.00 2.21 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 2.32 2.50 0.00 109 N 7.85 5.15 0.00 2.75 2.82 0.00 0.00 6.83 6.97 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 0.00 110 V 7.91 3.86 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 0.98 0.00 0.00 1.00 0.00 0.00 111 N 8.37 4.43 0.00 2.86 3.00 0.00 0.00 5.83 7.71 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 0.00 112 T 7.78 4.55 4.33 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 1.26 0.00 0.00 113 Y 7.93 3.98 0.00 3.11 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 0.00 114 D 9.04 5.01 0.00 2.69 2.54 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 0.00 0.00 0.00 0.00 115 K 8.69 4.32 0.00 1.88 1.90 0.00 1.78 0.00 0.00 1.88 0.00 0.00 3.27 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.83 1.62 7.81 116 N 8.11 4.43 0.00 2.52 2.58 0.00 0.00 6.97 7.05 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 0.00 117 Y 7.57 4.24 0.00 1.50 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 0.00 0.00 0.00 118 E 7.88 4.17 0.00 2.13 1.56 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 2.39 2.37 0.00 119 Y 9.10 3.99 0.00 3.29 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 0.00 120 Y 7.69 4.23 0.00 3.12 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 0.00 121 S 8.18 4.27 0.00 4.10 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 I 8.03 3.67 1.95 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 1.60 1.24 0.87 0.00 0.00 *124 S 7.76 4.73 0.00 3.81 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 0.00 125 H 7.00 4.61 0.00 1.89 2.80 0.00 6.00 0.00 0.00 0.00 0.00 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.96 4.20 0.00 3.11 3.36 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 0.00 127 T 8.10 4.25 4.24 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 1.24 0.00 0.00 128 E 7.70 4.53 0.00 2.18 2.14 0.00 0.00 0.00 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 2.30 0.00 129 E 8.50 4.19 0.00 1.95 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 2.30 2.36 0.00 130 S 8.27 4.89 0.00 3.97 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 0.00 131 E 8.27 3.91 0.00 1.16 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 1.83 1.47 0.00 132 Q 7.97 4.76 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.07 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 133 C 9.11 4.54 0.00 2.98 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.