NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 K 4.1700 8.3149 121.7827 56.7613 33.4854 179.2926 17 H 4.4563 8.5560 110.6428 53.7525 26.7902 173.5312 18 A 4.0377 8.1079 125.0897 54.3305 20.1049 179.7101 19 G 3.7422 8.2461 105.5417 49.0764 0.0000 177.5286 20 T 3.9711 7.2792 112.4273 61.2350 68.3726 176.5928 *22 T 4.2967 8.0482 119.8047 64.9193 70.7296 176.7987 23 L 4.0929 7.6829 119.5938 57.9092 41.8002 179.0071 24 E 4.1440 8.3350 116.9607 59.4238 29.5465 179.0703 25 A 4.2456 7.9984 120.3817 55.0259 18.5002 179.6246 26 Y 3.8503 7.8939 115.9280 58.2463 38.8073 178.1054 *28 R 4.2308 7.9813 118.9895 55.7290 32.4754 177.5897 29 F 4.1640 8.1903 119.3603 61.4311 39.1863 177.2358 30 S 3.5838 7.8341 114.3006 61.4650 62.4435 176.4555 31 A 3.9194 7.8065 121.2650 55.2372 18.1907 179.1552 32 K 4.0223 7.9409 117.9819 59.4411 32.3304 178.8708 33 L 3.9869 7.9302 121.1191 58.2326 41.9697 179.1508 34 S 4.2447 8.2951 115.0158 61.2463 62.5889 176.3373 35 E 3.9799 8.0184 121.2453 59.0708 29.0987 178.8573 36 A 4.0208 8.1262 120.8592 55.1185 18.1219 179.6557 37 K 3.8209 7.7433 115.9586 59.1919 32.0257 178.7783 38 D 4.5219 8.1147 119.0745 56.0529 40.8669 176.5335 39 E 4.5131 7.9901 118.9802 55.6192 30.4723 176.3047 *41 G 3.8029 7.8777 104.4552 44.5830 0.0000 173.4389 42 T 4.0421 8.1949 109.9362 64.3879 68.8212 177.0215 43 K 4.0133 8.0035 121.1721 59.3635 32.2217 178.6790 44 E 4.0530 8.2144 119.1283 59.5122 29.5998 177.9427 45 Y 4.2281 8.3656 119.6500 60.9158 38.8538 178.0066 46 E 3.9089 8.5635 119.5497 59.2166 29.4567 179.5697 47 V 3.5020 7.7733 118.2011 65.7750 31.6432 177.5720 48 F 3.4219 7.9872 120.6579 61.5364 39.1217 177.2363 49 T 3.2892 7.6695 109.4531 64.2129 68.1118 176.1099 50 K 3.7581 7.5198 121.6143 59.4806 32.0214 178.3357 51 E 4.0270 8.0770 118.8579 59.2423 29.2666 179.1237 52 L 3.8786 7.9549 120.8193 57.7808 42.0342 178.7799 53 K 3.9859 7.9565 121.1036 58.7214 31.8861 178.7141 54 K 3.9197 7.6629 117.6578 59.4388 32.0162 179.0506 55 L 4.0326 7.7551 120.1413 58.4064 42.0515 178.8953 56 T 3.8803 8.2913 110.2338 64.9496 68.6783 176.2358 57 N 4.2987 8.7962 119.3298 55.7243 38.4558 177.2120 58 A 4.1926 7.7975 122.5391 54.8275 18.5020 179.7469 59 K 3.9204 8.2081 117.0869 59.4750 31.8934 179.3069 60 L 3.8868 7.6994 117.8228 57.9910 41.6895 179.3144 61 A 3.8842 7.6016 118.8561 54.3554 18.3995 177.7256 62 Y 4.6590 8.0528 111.8810 57.5372 40.0107 176.6578 63 G 3.7678 8.0660 109.5948 45.0633 0.0000 175.0233 64 D 4.6403 8.8807 121.1581 52.7514 40.4834 176.9555 65 S 4.2033 8.6493 112.2401 60.8922 63.5742 174.2757 66 N 4.7154 9.0854 118.8017 52.6665 38.6048 176.1440 67 G 3.8792 8.1261 105.6785 45.7529 0.0000 174.1143 68 N 4.6697 7.7271 117.4092 52.8795 39.2026 174.1253 69 I 4.3188 8.9459 124.3345 59.7211 38.8470 176.1034 70 D 4.5089 7.9744 124.8126 52.5816 39.9969 175.8740 71 Y 4.0935 8.0370 122.8874 60.6349 38.3715 178.7760 72 D 4.3908 8.3406 118.1534 57.0915 40.9919 176.9568 73 A 4.3140 8.0039 119.5753 52.4787 18.8647 177.2973 74 L 4.3005 7.4468 116.5523 53.2762 42.8681 177.6136 75 S 4.2922 8.3764 116.6395 58.6931 64.5484 175.6251 76 S 4.0853 8.6260 117.8076 61.7272 62.4462 176.7263 77 E 3.9051 8.0135 121.4735 59.1214 29.2692 178.7073 78 K 3.8421 7.7455 118.1608 59.5866 32.2681 178.2570 79 R 4.0605 7.9713 117.8980 59.4753 30.2269 177.7578 80 E 4.1060 7.9667 118.9977 59.0748 29.6136 178.9701 81 E 4.1574 8.3098 116.5848 56.8624 29.4548 178.1562 *83 K 4.0704 7.9790 119.7863 55.8895 33.9975 177.7669 84 K 3.9702 8.2198 116.9326 59.5991 32.4532 178.2940 85 V 3.8050 8.0917 118.4447 66.3476 31.6030 179.1320 86 S 4.2318 7.7624 114.5691 58.8145 61.8888 176.4723 *88 G 4.0465 8.1553 111.4259 45.5916 0.0000 175.5455 89 L 4.4436 7.9321 119.4148 56.6832 41.6886 178.8547 90 Q 4.3347 8.2040 119.7025 59.0799 28.9995 176.7798 91 P 4.2919 0.0000 0.0000 65.6324 31.2224 178.2566 92 Y 3.7465 7.6835 115.2122 60.8581 37.7911 178.1618 93 F 4.4846 8.0120 118.7206 60.7054 39.0195 177.2988 94 D 4.4784 8.6961 118.9641 57.4432 40.7080 178.9688 95 K 3.9248 8.0622 119.8704 59.5583 32.0212 178.8715 96 L 4.1263 8.0089 117.9478 57.0425 41.6295 178.1230 97 N 4.6963 8.1325 114.6385 52.4220 38.7654 175.1311 98 G 3.8308 7.8087 108.3419 47.0247 0.0000 173.2654 99 H 5.2196 8.1742 115.5379 53.0180 31.8455 174.4886 100 K 4.1643 8.7725 120.0976 56.4182 33.1463 177.1204 101 S 4.4245 8.5143 117.0824 58.0709 62.6968 174.7563 102 S 4.1103 9.8112 124.9268 61.6546 62.4296 176.4382 103 K 2.8537 8.0068 121.4972 58.3767 31.7852 177.9372 104 E 4.1423 7.1710 117.4168 58.8484 29.9688 178.5244 105 V 3.6454 7.6966 116.9645 64.5419 31.9122 176.2554 106 L 4.6038 7.2732 117.6589 53.4906 42.9439 177.0736 107 T 4.1759 8.9036 112.8636 61.3114 70.7446 175.4411 108 Q 4.0254 8.6247 121.8930 59.4718 29.0487 177.7854 109 E 3.9508 8.3578 119.6177 59.8267 29.5802 178.6729 110 E 4.2845 8.3854 118.2199 59.3607 29.2789 179.2533 111 F 4.4706 8.4845 120.3752 61.2152 39.5552 176.3201 112 D 4.3929 8.0734 116.6464 57.6643 41.3227 178.0685 113 R 3.9362 8.0193 118.3546 59.3230 29.8925 178.7363 114 Y 4.9765 8.0989 116.3771 58.5303 38.3662 177.3353 *116 E 4.1110 8.1413 118.9606 55.8304 31.7710 177.2805 117 A 4.1698 8.0961 121.6131 55.2421 18.7459 180.2675 118 L 4.2206 7.8056 113.9635 55.6614 41.1563 179.4854 *120 T 4.2989 8.1028 116.5232 64.1162 70.6023 175.6701 121 H 4.2759 8.4758 120.4100 59.5307 29.7891 176.7402 122 E 3.9964 8.3454 120.8242 59.3926 29.5104 178.6028 123 I 3.6152 7.9262 119.3729 64.6354 37.1083 178.4345 124 V 3.3430 8.1939 119.2018 65.7919 31.1309 178.2849 125 R 3.8030 7.9407 118.0062 58.8347 29.7694 179.2809 126 V 3.8421 7.3081 119.0263 65.5503 31.4078 178.2640 127 K 3.8843 7.7298 117.0208 59.0840 31.9464 178.5186 128 T 4.2051 7.8884 107.3092 60.6263 69.4532 174.6124 129 K 3.8630 7.6429 120.3490 57.5327 30.4842 174.7389 130 S 4.7110 7.6428 111.9758 56.7618 64.9485 173.9626 131 T 4.3114 8.5601 113.7679 62.0834 70.1629 175.8351 132 G 3.8880 7.6242 115.1434 45.2602 0.0000 173.6273 133 A 4.2488 8.5033 127.8097 51.2416 18.4216 177.6520 134 I 3.7219 8.3772 123.9577 61.8874 37.9596 175.8713 135 K 4.5692 8.2142 122.6271 54.6685 34.5553 177.3113 136 V 3.5738 8.5095 123.3812 65.5418 31.8643 177.6341 137 E 3.9511 8.2810 118.5627 59.4657 29.2916 177.7502 138 E 4.0891 8.0480 117.1029 57.5711 29.9914 176.5941 139 I 3.8810 7.1205 120.0221 60.4266 37.7518 174.2293 140 P 4.4022 0.0000 0.0000 62.5823 31.5423 176.9265 141 E 3.9128 8.9448 121.2057 59.4968 29.1841 179.1563 142 A 3.9381 7.9792 119.2895 54.0813 18.5935 177.7806 143 Y 4.6627 7.8977 113.2009 57.5770 39.0600 177.9296 144 K 4.0919 7.7888 120.0387 59.6525 32.2286 179.0006 145 E 4.0197 8.1495 118.2829 59.3330 29.4003 179.1103 146 R 3.9081 8.0690 118.2705 59.4138 30.1741 178.0488 147 F 4.1741 8.6691 120.5582 61.4579 39.4824 176.9164 148 I 3.5890 7.9497 119.3093 64.4059 36.8571 178.5347 149 K 3.9380 8.2490 118.8833 59.4630 31.6984 179.0791 150 A 4.0137 7.9457 119.9091 55.2632 18.3057 179.0161 151 E 3.8809 8.0247 116.9418 59.3855 30.0503 178.6305 152 Q 4.2053 8.0419 118.0689 58.8072 28.9285 180.2608 153 F 4.6742 8.4421 122.1288 58.2535 39.4684 176.7240 *155 E 4.2409 8.2406 118.2828 56.1606 31.5407 177.8806 156 Y 3.9837 7.8002 118.0522 60.6015 39.1858 177.8448 157 V 2.9773 7.3378 119.1259 65.6210 31.3896 177.2968 158 D 4.1572 7.7762 117.2944 57.4719 40.7986 177.8746 159 E 3.8831 7.8886 118.4015 58.8036 29.6940 178.1913 160 K 4.0837 7.2448 115.9289 57.3475 32.5796 177.6564 161 V 4.2962 7.2531 110.7425 60.6552 34.0659 175.7835 162 R 3.9490 7.5395 120.5661 56.2381 29.2542 176.2827 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 K 8.31 4.17 0.00 1.72 0.91 0.00 1.93 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.21 1.46 7.81 17 H 8.56 4.46 0.00 3.39 3.24 0.00 5.86 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.11 4.04 1.28 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 0.00 0.00 19 G 8.25 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 20 T 7.28 3.97 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 1.21 0.00 0.00 *22 T 8.05 4.30 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 1.23 0.00 0.00 23 L 7.68 4.09 0.00 1.80 1.78 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.34 4.14 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 25 A 8.00 4.25 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 26 Y 7.89 3.85 0.00 3.23 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 *28 R 7.98 4.23 0.00 2.12 2.03 0.00 3.21 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 29 F 8.19 4.16 0.00 2.99 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 30 S 7.83 3.58 0.00 3.82 3.83 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 31 A 7.81 3.92 1.27 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 0.00 0.00 32 K 7.94 4.02 0.00 1.98 1.91 0.00 1.55 0.00 0.00 1.60 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.53 7.81 33 L 7.93 3.99 0.00 1.16 1.41 0.92 0.50 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 34 S 8.30 4.24 0.00 4.01 3.83 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 35 E 8.02 3.98 0.00 2.22 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 2.47 0.00 36 A 8.13 4.02 1.66 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 0.00 0.00 37 K 7.74 3.82 0.00 1.67 1.68 0.00 1.37 0.00 0.00 1.41 0.00 0.00 2.67 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.78 0.24 7.81 38 D 8.11 4.52 0.00 2.77 2.72 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 39 E 7.99 4.51 0.00 1.90 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 2.21 2.19 0.00 *41 G 7.88 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 0.00 0.00 0.00 42 T 8.19 4.04 4.30 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 1.20 0.00 0.00 43 K 8.00 4.01 0.00 1.87 1.94 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.52 7.81 44 E 8.21 4.05 0.00 2.12 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 0.00 2.63 2.62 0.00 45 Y 8.37 4.23 0.00 3.22 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 46 E 8.56 3.91 0.00 2.26 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 2.39 2.53 0.00 47 V 7.77 3.50 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.00 0.00 0.00 48 F 7.99 3.42 0.00 2.46 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 49 T 7.67 3.29 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 0.35 0.00 0.00 50 K 7.52 3.76 0.00 1.78 2.00 0.00 1.78 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.44 7.81 51 E 8.08 4.03 0.00 1.91 1.90 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 2.26 2.43 0.00 52 L 7.95 3.88 0.00 0.99 1.30 1.03 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.96 3.99 0.00 1.97 1.87 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.21 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.38 7.81 54 K 7.66 3.92 0.00 2.10 1.88 0.00 1.87 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.44 7.81 55 L 7.76 4.03 0.00 1.84 1.88 1.06 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.29 3.88 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 1.15 0.00 0.00 57 N 8.80 4.30 0.00 2.76 2.90 0.00 0.00 6.89 7.94 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 58 A 7.80 4.19 1.53 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 59 K 8.21 3.92 0.00 1.92 1.90 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.69 7.81 60 L 7.70 3.89 0.00 1.72 1.67 0.88 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.60 3.88 0.64 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 0.00 0.00 62 Y 8.05 4.66 0.00 2.91 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 63 G 8.07 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 0.00 0.00 0.00 64 D 8.88 4.64 0.00 2.80 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 65 S 8.65 4.20 0.00 3.98 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 66 N 9.09 4.72 0.00 2.92 2.80 0.00 0.00 6.77 8.10 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 67 G 8.13 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 0.00 0.00 0.00 68 N 7.73 4.67 0.00 3.01 2.70 0.00 0.00 6.89 7.20 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 69 I 8.95 4.32 0.98 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 1.10 0.41 0.27 0.00 0.00 70 D 7.97 4.51 0.00 2.57 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 8.04 4.09 0.00 3.05 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 72 D 8.34 4.39 0.00 2.93 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 73 A 8.00 4.31 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 74 L 7.45 4.30 0.00 1.72 1.45 0.85 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.38 4.29 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.63 4.09 0.00 4.07 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.01 3.91 0.00 2.08 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 0.00 2.40 2.42 0.00 78 K 7.75 3.84 0.00 1.69 1.75 0.00 1.67 0.00 0.00 1.62 0.00 0.00 3.14 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.08 1.28 7.81 79 R 7.97 4.06 0.00 1.94 1.95 0.00 3.34 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 1.65 1.85 0.00 80 E 7.97 4.11 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 81 E 8.31 4.16 0.00 2.07 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 2.35 0.00 *83 K 7.98 4.07 0.00 1.83 1.97 0.00 1.71 0.00 0.00 1.93 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.33 7.81 84 K 8.22 3.97 0.00 1.95 1.91 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.41 7.81 85 V 8.09 3.80 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.03 0.00 0.00 86 S 7.76 4.23 0.00 3.95 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 *88 G 8.16 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 89 L 7.93 4.44 0.00 1.93 1.67 1.05 0.53 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 90 Q 8.20 4.33 0.00 2.60 2.50 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 2.73 3.00 0.00 91 P 0.00 4.29 0.00 1.77 1.89 0.00 3.88 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 92 Y 7.68 3.75 0.00 2.87 2.24 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 93 F 8.01 4.48 0.00 3.38 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 94 D 8.70 4.48 0.00 2.85 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 95 K 8.06 3.92 0.00 1.74 1.92 0.00 1.56 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.43 7.81 96 L 8.01 4.13 0.00 1.72 1.75 0.68 1.13 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 97 N 8.13 4.70 0.00 2.80 2.57 0.00 0.00 7.00 7.22 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 98 G 7.81 3.83 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 0.00 0.00 0.00 99 H 8.17 5.22 0.00 3.10 3.27 0.00 5.69 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.77 4.16 0.00 1.56 1.71 0.00 1.79 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.58 7.81 101 S 8.51 4.42 0.00 3.84 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 0.00 102 S 9.81 4.11 0.00 4.18 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 0.00 103 K 8.01 2.85 0.00 1.23 1.59 0.00 1.54 0.00 0.00 1.51 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.99 0.36 7.81 104 E 7.17 4.14 0.00 2.17 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 2.22 2.20 0.00 105 V 7.70 3.65 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 0.77 0.00 0.00 0.94 0.00 0.00 106 L 7.27 4.60 0.00 1.90 1.73 0.97 0.55 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 0.00 107 T 8.90 4.18 4.30 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 1.32 0.00 0.00 108 Q 8.62 4.03 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.87 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 109 E 8.36 3.95 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 2.42 2.44 0.00 110 E 8.39 4.28 0.00 2.44 2.38 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 2.70 2.51 0.00 111 F 8.48 4.47 0.00 3.13 3.35 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 0.00 112 D 8.07 4.39 0.00 2.76 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 R 8.02 3.94 0.00 1.76 1.06 0.00 3.03 0.00 0.00 2.89 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.62 0.00 114 Y 8.10 4.98 0.00 3.36 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 *116 E 8.14 4.11 0.00 2.11 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 2.19 0.00 117 A 8.10 4.17 1.55 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 0.00 0.00 118 L 7.81 4.22 0.00 1.46 1.51 0.22 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 *120 T 8.10 4.30 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 121 H 8.48 4.28 0.00 3.41 3.53 0.00 5.59 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.35 4.00 0.00 2.25 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 2.52 2.39 0.00 123 I 7.93 3.62 2.04 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.65 0.62 0.00 0.00 124 V 8.19 3.34 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 0.61 0.00 0.00 0.95 0.00 0.00 125 R 7.94 3.80 0.00 2.05 1.92 0.00 3.22 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.83 0.00 126 V 7.31 3.84 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 1.22 0.00 0.00 0.95 0.00 0.00 127 K 7.73 3.88 0.00 1.51 1.72 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.70 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.17 0.54 7.81 128 T 7.89 4.21 4.15 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 1.05 0.00 0.00 129 K 7.64 3.86 0.00 1.86 1.87 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.31 7.81 130 S 7.64 4.71 0.00 3.86 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 0.00 131 T 8.56 4.31 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 1.22 0.00 0.00 132 G 7.62 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 A 8.50 4.25 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 0.00 134 I 8.38 3.72 1.77 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.53 0.44 0.00 0.00 135 K 8.21 4.57 0.00 1.88 1.89 0.00 1.50 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.32 1.34 7.81 136 V 8.51 3.57 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.10 0.00 0.00 137 E 8.28 3.95 0.00 1.99 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 2.32 2.31 0.00 138 E 8.05 4.09 0.00 1.90 1.90 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 2.27 2.25 0.00 139 I 7.12 3.88 1.92 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.63 0.93 0.00 0.00 140 P 0.00 4.40 0.00 2.45 2.08 0.00 3.67 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.12 0.00 141 E 8.94 3.91 0.00 2.03 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 2.37 2.39 0.00 142 A 7.98 3.94 0.81 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 0.00 143 Y 7.90 4.66 0.00 3.06 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 0.00 144 K 7.79 4.09 0.00 1.88 1.92 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.25 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.50 1.80 7.81 145 E 8.15 4.02 0.00 2.00 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 2.42 2.32 0.00 146 R 8.07 3.91 0.00 1.94 2.23 0.00 3.24 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.75 0.00 147 F 8.67 4.17 0.00 3.31 3.35 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 0.00 148 I 7.95 3.59 2.05 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.09 0.93 0.00 0.00 149 K 8.25 3.94 0.00 1.92 1.85 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.46 7.81 150 A 7.95 4.01 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 0.00 151 E 8.02 3.88 0.00 1.26 1.85 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 2.25 2.26 0.00 152 Q 8.04 4.21 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 153 F 8.44 4.67 0.00 3.12 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *155 E 8.24 4.24 0.00 2.23 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 2.29 2.53 0.00 156 Y 7.80 3.98 0.00 2.78 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 V 7.34 2.98 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.19 0.00 0.00 158 D 7.78 4.16 0.00 2.74 2.67 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 0.00 159 E 7.89 3.88 0.00 2.02 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 2.24 2.29 0.00 160 K 7.24 4.08 0.00 1.52 1.59 0.00 1.52 0.00 0.00 1.51 0.00 0.00 2.42 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.17 0.91 7.81 161 V 7.25 4.30 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 0.71 0.00 0.00 0.81 0.00 0.00 162 R 7.54 3.95 0.00 1.82 1.88 0.00 3.06 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.51 0.00 * Residues marked with a * may have inaccurate shift predictions.