NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 I 4.1626 8.0249 121.4523 61.3442 38.2892 175.1616 6 K 4.1343 9.3900 124.1303 55.1477 33.0379 175.0041 7 G 4.0119 8.1377 106.2512 44.9997 0.0000 170.8474 8 L 4.4006 7.9648 119.5973 54.1300 42.7581 176.0010 9 F 4.7126 8.9127 124.1370 59.2582 40.8519 174.5558 10 E 4.4751 7.7419 117.8811 54.4065 32.9763 174.3485 11 V 4.3682 7.7818 115.6728 59.3133 35.9614 174.2602 12 A 4.4258 8.2141 125.7775 50.7989 20.1493 176.6613 13 V 4.2170 8.2783 122.8014 60.6454 34.1290 174.8150 14 K 4.6266 8.9590 128.6992 56.4325 32.6085 177.1163 15 V 4.5997 8.8021 118.1167 59.4688 34.9716 177.3206 16 K 4.2387 8.9452 123.0737 58.8515 32.4705 177.5742 17 N 4.9810 7.9021 116.5569 50.8095 41.5933 174.1428 18 L 3.9887 9.2903 131.0917 58.3686 42.2196 178.8203 19 E 4.0259 8.2385 117.9085 59.4799 29.6734 179.3563 20 K 4.0767 8.7585 118.8571 59.5892 32.0188 179.7415 21 S 4.3986 8.5160 115.7133 61.6875 62.7893 176.7363 22 S 4.2841 8.6542 118.4052 61.7200 62.5518 176.5196 23 Q 4.0257 8.4436 122.2520 59.1195 28.8139 178.2066 24 F 3.9903 8.2873 121.2553 61.7432 39.5228 176.8538 25 Y 3.8210 8.7611 116.7361 60.5831 37.7242 178.3755 26 T 4.4953 8.0954 112.0505 63.7792 69.2973 176.8712 27 E 4.0384 8.3422 120.6026 57.8694 29.7783 178.0082 28 I 3.7798 7.1148 118.5770 63.4952 37.5932 177.2743 29 L 3.6721 6.9877 117.1644 55.1293 41.7014 178.0536 30 G 4.1779 7.8007 105.7199 46.3809 0.0000 173.5340 31 F 4.9714 7.8767 118.4240 57.6358 40.2181 174.2881 32 E 4.9702 9.2823 120.7617 54.4220 32.0063 175.6075 33 A 4.0289 8.8952 124.1637 53.8380 18.7503 175.7671 34 G 4.2188 9.2158 104.1532 46.0835 0.0000 172.3527 35 L 4.8181 7.5181 121.3411 52.6724 46.0747 175.3478 36 L 4.8850 8.8113 129.3132 54.1582 43.1646 175.7270 37 D 4.8470 9.3409 128.8199 52.6475 40.3694 176.8990 38 S 4.2644 8.6111 119.7068 60.3512 63.3972 176.0268 39 A 4.0768 7.7945 123.0505 55.3119 18.1939 179.0471 40 R 3.8561 7.8848 111.9517 56.4418 30.9249 176.5670 41 R 3.9475 7.8358 116.1358 57.5566 27.2392 175.2918 42 W 5.4485 8.2865 116.5842 54.9644 33.6680 175.8117 43 N 5.4391 9.0591 121.2033 52.1044 41.8347 173.0833 44 F 4.8365 9.7653 126.7430 56.5092 40.2438 174.9922 45 L 5.3012 8.4826 124.0956 52.6547 44.5902 176.2265 46 W 4.8216 9.1902 122.7838 55.6237 31.4397 175.3147 47 V 3.9778 8.7055 124.5283 61.3073 33.0297 175.6945 48 S 3.7778 9.5886 122.8026 59.2201 61.9335 173.7079 49 G 3.7932 8.3445 111.9636 46.1080 0.0000 174.0056 50 R 4.6359 8.8243 113.2217 55.6672 32.1792 176.5769 51 A 4.4080 8.1554 124.3733 55.0512 19.2442 178.4222 52 G 3.5979 7.9907 102.2638 44.6302 0.0000 171.9922 *54 V 3.9990 8.3392 120.0665 62.7614 33.3184 175.8910 55 V 4.0694 8.0705 128.7227 61.0387 32.5436 174.4537 56 L 4.4537 8.4167 129.8081 54.3722 43.0556 176.3362 57 Q 4.6162 8.7917 122.5473 53.6373 32.0703 174.3813 58 E 4.6391 9.1664 126.8320 56.3044 30.4349 176.1227 59 E 4.6579 9.2706 126.7113 55.1891 32.6036 175.6372 60 K 4.2541 9.0543 124.0174 57.0947 32.8480 176.2572 61 E 4.6961 7.7027 116.9013 54.8008 33.0205 174.5220 62 N 4.2100 8.7456 113.7455 53.9804 35.5091 175.3783 63 W 4.2280 8.1904 126.7793 57.7963 31.7228 174.7943 64 Q 3.9968 7.3916 123.0885 53.5461 32.0307 174.6513 65 Q 3.3822 7.5393 123.5541 55.9705 29.8717 175.0591 66 Q 4.7366 8.4379 122.8166 54.4386 32.3401 173.7490 67 H 5.4443 8.7491 120.0376 53.3897 32.3752 172.2487 68 F 4.8670 7.4040 118.6155 55.8507 41.0829 172.7849 69 S 4.7965 8.2844 113.1167 56.7092 66.2969 172.9478 70 F 5.0935 9.2318 119.5630 55.7579 41.9980 174.7593 71 R 4.8434 8.7493 122.6157 56.2687 31.0972 175.6925 72 V 4.6210 8.6516 118.0176 59.4341 36.8807 174.7148 73 E 4.4293 8.5291 120.9106 55.8452 30.6088 178.4077 74 K 3.9646 8.7489 122.0887 59.7207 31.9492 179.6138 75 S 4.3097 8.0277 112.2197 60.2844 63.2900 174.9818 76 E 4.4289 7.9504 121.4526 56.2093 29.5901 177.5560 77 I 3.7191 7.5051 121.4668 64.6721 37.2333 178.0811 78 E 3.9808 8.0805 118.6306 58.9610 29.3368 177.4055 79 P 4.2346 0.0000 0.0000 65.5977 31.3262 178.6846 80 L 3.9411 8.1556 117.9431 57.3930 41.5230 179.1940 81 K 3.8363 8.2080 119.7332 59.5822 32.0484 178.7077 82 K 4.0588 8.2373 119.5360 59.3420 31.7148 178.6098 83 A 3.9117 8.2154 121.2868 55.0866 18.3280 179.5444 84 L 3.7740 7.9660 117.5570 58.0567 41.7132 179.6186 85 E 4.3680 8.4921 120.0090 58.9024 29.1534 179.6436 86 S 4.2089 8.1759 113.4578 60.6100 63.0290 175.6545 87 K 4.4218 7.3389 119.7360 55.7905 31.9948 177.1364 88 G 3.8420 7.9741 107.2795 45.3919 0.0000 173.4439 89 V 4.1970 7.7437 120.2296 60.8208 32.4076 175.3421 90 S 4.3982 8.6580 124.1180 58.1935 63.3282 173.6032 91 V 4.5641 8.2056 124.6085 61.1559 33.7732 174.0460 92 H 4.8399 9.5111 124.4906 54.4205 30.6634 172.8436 93 G 4.2887 8.9699 110.3060 42.8167 0.0000 170.9542 94 P 4.6921 0.0000 0.0000 62.9342 32.1818 175.9507 95 V 4.4551 8.7746 122.7916 61.1821 33.7365 174.3196 96 N 4.8092 8.9150 125.8290 53.4335 39.5061 175.7503 97 Q 4.4332 9.0622 123.9921 53.8490 27.9403 176.0118 98 E 3.9247 8.6510 122.3688 59.0906 29.9910 179.7826 99 W 4.3040 8.1218 110.5619 57.5795 27.8031 176.3718 *101 Q 4.0127 7.8404 114.8443 56.5800 29.4196 173.8090 102 A 4.9675 7.8988 118.7694 50.1377 23.9153 176.4523 103 V 4.8016 8.7053 118.2361 61.2890 34.9031 174.6456 104 S 5.2431 9.1612 122.8193 56.6809 66.7998 172.8941 105 L 5.2211 8.7290 122.5216 53.1933 44.9677 175.0601 106 Y 5.2986 8.7926 119.7267 56.4328 41.5301 174.6912 107 F 5.2095 8.6199 116.6284 56.2291 41.8547 172.4688 108 A 5.6869 8.9172 120.9368 49.7434 21.1860 176.8402 109 D 3.6304 8.1181 120.0153 51.1069 41.3745 175.4017 110 P 4.1577 0.0000 0.0000 64.8768 31.2024 177.1298 111 N 4.6043 8.4233 114.4546 52.7581 38.8193 175.9078 112 G 3.9561 8.1920 106.5578 45.9941 0.0000 173.7822 113 H 4.4503 8.1236 116.2403 55.7579 30.4995 174.8531 114 A 4.4684 8.8370 124.2989 51.1187 18.6311 176.9146 115 L 4.2486 8.1737 121.3107 53.7231 44.0909 175.3749 116 E 4.9052 7.9095 119.4552 55.0833 33.3867 173.3226 117 F 5.8385 8.9795 124.6006 56.3545 41.6768 174.7200 118 T 5.0467 9.2820 120.2039 61.6359 71.5496 172.7487 119 A 5.5727 9.0800 128.2027 49.2190 21.9016 176.5352 120 L 4.2455 8.3736 120.9164 54.8710 42.4857 176.5076 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 5 I 8.02 4.16 1.88 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 1.42 1.07 0.93 0.00 0.00 6 K 9.39 4.13 0.00 1.84 1.87 0.00 1.91 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.45 7.81 7 G 8.14 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 0.00 0.00 0.00 8 L 7.96 4.40 0.00 1.67 1.61 0.87 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 9 F 8.91 4.71 0.00 3.09 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 10 E 7.74 4.48 0.00 1.43 1.69 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 2.06 2.12 0.00 11 V 7.78 4.37 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 0.44 0.00 0.00 0.16 0.00 0.00 12 A 8.21 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.28 4.22 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 1.15 0.00 0.00 0.48 0.00 0.00 14 K 8.96 4.63 0.00 1.63 1.70 0.00 1.62 0.00 0.00 1.52 0.00 0.00 2.72 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.45 1.46 7.81 15 V 8.80 4.60 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 0.86 0.00 0.00 0.95 0.00 0.00 16 K 8.95 4.24 0.00 1.80 1.91 0.00 1.77 0.00 0.00 1.91 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.42 7.81 17 N 7.90 4.98 0.00 2.72 2.66 0.00 0.00 6.86 6.66 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 18 L 9.29 3.99 0.00 1.93 1.71 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.24 4.03 0.00 2.30 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 2.44 2.51 0.00 20 K 8.76 4.08 0.00 1.84 1.92 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.68 7.81 21 S 8.52 4.40 0.00 4.09 4.14 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 0.00 0.00 0.00 22 S 8.65 4.28 0.00 4.09 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 23 Q 8.44 4.03 0.00 2.30 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.71 0.00 24 F 8.29 3.99 0.00 3.16 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 25 Y 8.76 3.82 0.00 3.27 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 26 T 8.10 4.50 4.31 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 1.45 0.00 0.00 27 E 8.34 4.04 0.00 1.99 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 2.32 2.41 0.00 28 I 7.11 3.78 0.96 0.00 0.00 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 1.07 0.24 0.38 0.00 0.00 29 L 6.99 3.67 0.00 0.67 0.45 0.69 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.80 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 0.00 0.00 0.00 31 F 7.88 4.97 0.00 3.17 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 32 E 9.28 4.97 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 33 A 8.90 4.03 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 34 G 9.22 4.22 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 0.00 35 L 7.52 4.82 0.00 1.70 1.38 0.94 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.81 4.88 0.00 1.77 1.65 1.08 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.34 4.85 0.00 2.88 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 38 S 8.61 4.26 0.00 3.93 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 39 A 7.79 4.08 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 40 R 7.88 3.86 0.00 1.18 0.92 0.00 2.33 0.00 0.00 2.76 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.31 0.00 41 R 7.84 3.95 0.00 2.14 2.12 0.00 3.34 0.00 0.00 3.37 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 42 W 8.29 5.45 0.00 3.24 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 43 N 9.06 5.44 0.00 2.83 2.62 0.00 0.00 7.23 7.62 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 44 F 9.77 4.84 0.00 2.97 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.48 5.30 0.00 1.53 1.70 1.09 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 46 W 9.19 4.82 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 47 V 8.71 3.98 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 0.76 0.00 0.00 -0.03 0.00 0.00 48 S 9.59 3.78 0.00 4.05 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 49 G 8.34 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 0.00 0.00 0.00 50 R 8.82 4.64 0.00 1.68 1.90 0.00 2.86 0.00 0.00 3.02 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.99 0.00 51 A 8.16 4.41 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 52 G 7.99 3.60 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 0.00 0.00 0.00 *54 V 8.34 4.00 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 0.66 0.00 0.00 1.03 0.00 0.00 55 V 8.07 4.07 1.49 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 -0.37 0.00 0.00 0.58 0.00 0.00 56 L 8.42 4.45 0.00 1.49 1.44 0.90 -0.03 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 57 Q 8.79 4.62 0.00 1.51 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.00 0.00 0.00 0.00 0.00 0.00 1.16 1.53 0.00 58 E 9.17 4.64 0.00 2.05 1.95 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 2.38 2.46 0.00 59 E 9.27 4.66 0.00 1.81 1.84 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 2.28 2.28 0.00 60 K 9.05 4.25 0.00 1.78 1.89 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.49 7.81 61 E 7.70 4.70 0.00 1.95 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 2.23 2.31 0.00 62 N 8.75 4.21 0.00 2.90 2.91 0.00 0.00 6.83 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 63 W 8.19 4.23 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 64 Q 7.39 4.00 0.00 1.75 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 65 Q 7.54 3.38 0.00 1.86 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.62 0.00 66 Q 8.44 4.74 0.00 1.78 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.64 0.00 0.00 0.00 0.00 0.00 2.20 2.06 0.00 67 H 8.75 5.44 0.00 3.01 3.12 0.00 5.77 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 7.40 4.87 0.00 2.74 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 69 S 8.28 4.80 0.00 3.93 3.75 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 70 F 9.23 5.09 0.00 3.45 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 71 R 8.75 4.84 0.00 1.89 1.90 0.00 3.20 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 72 V 8.65 4.62 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 0.43 0.00 0.00 0.92 0.00 0.00 73 E 8.53 4.43 0.00 2.00 1.84 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 2.38 2.31 0.00 74 K 8.75 3.96 0.00 1.79 1.86 0.00 1.65 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.49 7.81 75 S 8.03 4.31 0.00 4.01 3.99 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 76 E 7.95 4.43 0.00 2.07 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 2.22 2.42 0.00 77 I 7.51 3.72 1.96 0.00 0.00 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 1.63 0.90 0.94 0.00 0.00 78 E 8.08 3.98 0.00 1.97 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 2.41 2.35 0.00 79 P 0.00 4.23 0.00 2.12 2.07 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.16 0.00 80 L 8.16 3.94 0.00 1.91 1.81 0.60 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.21 3.84 0.00 1.86 1.99 0.00 1.66 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.46 7.81 82 K 8.24 4.06 0.00 1.99 1.90 0.00 1.56 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.48 7.81 83 A 8.22 3.91 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 84 L 7.97 3.77 0.00 1.67 1.47 -0.12 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.49 4.37 0.00 2.13 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 2.30 2.26 0.00 86 S 8.18 4.21 0.00 3.98 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 0.00 87 K 7.34 4.42 0.00 1.77 1.77 0.00 1.55 0.00 0.00 1.55 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.46 7.81 88 G 7.97 3.84 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 0.00 0.00 0.00 89 V 7.74 4.20 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 1.02 0.00 0.00 1.00 0.00 0.00 90 S 8.66 4.40 0.00 3.93 3.75 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 91 V 8.21 4.56 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 0.92 0.00 0.00 0.89 0.00 0.00 92 H 9.51 4.84 0.00 3.32 3.24 0.00 5.65 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 93 G 8.97 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 0.00 0.00 0.00 0.00 94 P 0.00 4.69 0.00 2.12 2.10 0.00 3.76 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 95 V 8.77 4.46 2.32 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 1.18 0.00 0.00 1.14 0.00 0.00 96 N 8.92 4.81 0.00 2.68 2.75 0.00 0.00 7.01 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Q 9.06 4.43 0.00 1.66 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.78 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 98 E 8.65 3.92 0.00 2.05 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 2.34 2.35 0.00 99 W 8.12 4.30 0.00 3.53 3.19 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 *101 Q 7.84 4.01 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 102 A 7.90 4.97 1.06 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 0.00 0.00 103 V 8.71 4.80 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 0.98 0.00 0.00 0.98 0.00 0.00 104 S 9.16 5.24 0.00 3.63 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.73 5.22 0.00 1.66 1.60 1.13 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 8.79 5.30 0.00 3.02 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 0.00 107 F 8.62 5.21 0.00 3.06 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.92 5.69 1.23 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 0.00 109 D 8.12 3.63 0.00 2.13 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 0.00 110 P 0.00 4.16 0.00 2.01 2.10 0.00 3.25 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.82 0.00 111 N 8.42 4.60 0.00 2.78 3.01 0.00 0.00 7.01 7.17 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 0.00 112 G 8.19 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 0.00 113 H 8.12 4.45 0.00 3.23 3.22 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.84 4.47 1.23 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 0.00 115 L 8.17 4.25 0.00 0.65 0.46 0.57 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 116 E 7.91 4.91 0.00 1.93 1.62 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 2.14 1.82 0.00 117 F 8.98 5.84 0.00 3.08 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 0.00 118 T 9.28 5.05 4.27 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 1.18 0.00 0.00 119 A 9.08 5.57 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 0.00 120 L 8.37 4.25 0.00 1.56 1.49 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.