NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 I 4.1518 8.0244 120.7960 60.9481 39.2145 173.7378 19 F 4.9876 8.4149 124.0398 54.9070 42.5744 170.9471 20 P 4.1923 0.0000 0.0000 63.6044 30.9417 176.4128 21 T 3.3561 8.4127 133.3472 64.8281 66.6470 174.0780 22 Q 3.9505 7.8901 121.7684 58.7602 29.1644 177.4538 23 L 3.9050 7.8515 120.7829 58.8283 41.8082 176.1758 24 P 4.2181 0.0000 0.0000 66.2794 30.9946 177.8912 25 Q 3.7762 7.9927 118.2176 59.5996 29.2454 178.2435 26 Y 3.5811 8.1735 119.9163 60.7954 38.8249 177.9078 27 L 3.7121 7.8986 119.5744 57.6366 41.9051 179.2603 28 Q 3.4479 8.8371 120.1853 59.7763 29.0868 179.5601 29 T 4.1050 8.3952 116.5285 65.4272 68.5268 176.8071 30 E 3.6635 8.5834 122.9467 59.2574 29.6528 178.0031 31 K 3.6761 8.0029 118.5698 59.9287 32.0412 177.3467 32 L 3.7664 7.7031 118.3670 58.4380 41.8065 178.9095 33 A 3.9608 8.1217 120.0652 55.6706 18.4103 179.5754 34 R 4.0179 8.0571 115.0696 60.1250 30.2759 178.9373 35 T 3.9663 7.9582 115.9246 66.2425 68.4070 176.3587 36 Q 4.0942 8.5650 120.0527 58.5026 28.8941 178.1682 37 A 3.7486 7.8838 120.0943 56.0158 18.1754 178.9453 38 A 3.8206 8.0128 115.9676 55.0092 18.5843 179.7474 39 A 3.8363 7.8300 118.3633 55.2216 18.2139 179.6785 40 I 3.7481 7.9043 118.4830 64.8075 37.0728 178.5965 41 E 3.0251 7.8696 117.8987 59.1580 29.1671 179.4370 42 R 3.9236 7.6753 117.8428 59.5161 30.3698 177.9869 43 E 3.6981 8.9352 119.4192 59.6700 29.5741 178.4541 44 F 4.4531 7.4951 112.6871 56.3458 39.3026 177.7589 45 G 3.8778 8.5201 110.0490 46.7534 0.0000 174.8632 46 A 4.4140 8.8179 127.3970 54.1790 18.8198 180.3487 47 Q 4.3212 7.7744 109.5417 56.2276 28.6099 175.7849 48 F 4.6373 9.3865 123.6180 58.2427 39.6463 175.7523 49 A 4.1010 9.8955 132.6046 53.1001 19.7085 176.7115 50 G 3.8076 5.3800 100.7732 43.4284 0.0000 171.6791 51 S 4.4891 8.1377 114.5724 55.9874 68.0345 173.1348 52 W 4.9559 7.0084 116.7608 56.5432 30.7828 172.7224 53 I 5.0708 8.8265 120.1159 59.7278 39.5722 175.2758 54 E 4.9065 8.9997 123.2140 53.8429 34.0830 177.4373 55 R 3.2373 8.7447 121.7202 60.8533 30.0586 178.0930 56 N 3.9883 8.8214 113.2096 55.7807 36.3466 174.4272 57 E 3.5238 7.9208 116.0200 57.8542 32.2255 176.8896 58 D 4.4323 8.2564 112.5185 53.3816 39.8026 176.6028 59 G 4.2457 8.8654 113.0927 46.0717 0.0000 174.9230 60 S 4.4325 7.5789 113.2830 58.7412 63.5592 173.6871 61 F 5.1425 8.8328 119.1331 56.1774 42.0334 175.1706 62 K 4.6397 8.3069 116.9819 55.7246 35.7650 174.9138 63 L 4.4417 8.6719 126.5678 55.0624 43.5525 175.4457 64 V 5.0778 8.4700 124.5569 59.8464 34.7392 173.6483 65 A 5.1272 8.6570 129.0450 49.3475 21.3306 174.5452 66 A 5.0659 8.4790 125.1564 49.8085 21.4791 175.3398 67 T 4.8059 8.1021 117.0900 59.5233 70.4981 174.4859 68 S 5.1279 8.9946 122.7511 56.1425 62.4369 173.2463 69 G 4.1745 8.2023 105.8324 45.2447 0.0000 173.9453 70 A 3.8318 8.6616 123.0942 54.7808 18.4823 178.0784 71 R 3.9257 7.5746 112.4398 56.8567 29.3057 176.5222 72 K 4.1248 8.8402 122.6644 58.8086 33.2906 176.9859 73 S 4.8462 7.7719 112.2319 55.3882 65.9009 172.9541 74 S 4.5807 8.2392 114.1112 56.4239 64.4606 174.5373 75 T 3.8641 8.8072 118.4416 64.0390 68.6330 174.2429 76 L 3.9549 7.7066 123.8697 54.5849 41.8869 176.8904 77 G 3.7535 8.5533 113.4615 46.8722 0.0000 173.5848 78 G 3.9472 8.9025 111.7476 45.0678 0.0000 173.3004 79 V 4.0503 7.3052 119.6177 61.7650 32.6045 174.8411 80 E 4.5592 8.7227 130.0569 54.4573 30.9660 175.3635 81 V 4.3620 8.3505 127.1126 62.4416 33.1436 175.5141 82 R 4.4948 8.1075 125.5615 54.8012 32.9828 173.3615 83 N 5.1010 8.8294 124.6915 53.1609 39.6041 174.9775 84 V 4.4012 8.5265 115.8728 59.5224 36.0569 176.5679 85 R 3.6729 8.9326 120.9126 58.9941 30.1865 175.8494 86 Y 4.6305 7.7351 115.5470 56.3790 40.0350 175.2418 87 S 4.8350 8.3134 116.0281 56.6314 65.2488 175.3163 88 L 3.8816 8.5083 123.7140 58.1015 41.0628 179.6407 89 K 3.8741 7.4095 118.9767 59.9567 32.4833 178.3371 90 Q 4.2262 8.4420 117.8363 59.1329 28.7314 179.0172 91 L 3.9437 7.9889 119.4201 57.8261 41.6861 179.1435 92 Q 4.0461 8.2313 119.4821 58.9757 28.7606 178.6104 93 S 4.0327 7.9996 113.9787 61.2383 62.5473 175.7395 94 A 4.0895 7.9649 122.9991 55.5389 18.1224 178.8136 95 M 4.1132 8.7138 116.9153 59.0915 32.1129 178.3819 96 E 4.0305 8.1964 118.4061 59.5213 29.6183 178.8485 97 Q 4.1114 8.1669 118.3344 59.3453 28.7984 179.2892 98 L 3.4794 8.2737 119.7287 58.0972 41.4749 179.5629 99 D 4.7189 7.9719 116.8932 57.5066 40.9117 178.2386 100 A 4.2701 8.5660 121.0523 55.3674 18.4221 179.6548 101 G 3.9171 8.3542 104.2294 45.7919 0.0000 174.0137 102 A 4.4432 7.6179 123.3048 51.1465 20.0054 177.2094 *115 G 4.2201 8.2361 104.0147 44.8018 0.0000 172.4982 116 V 4.2010 7.6876 120.8619 62.5438 31.9538 175.3681 117 Q 4.4208 9.5265 129.0927 56.5863 29.5496 176.3645 118 S 4.6155 7.4550 110.0650 57.5627 65.4316 176.6976 119 W 5.2434 9.4576 120.9971 54.7198 29.4849 174.1052 120 Y 5.2190 8.4756 126.4118 56.5912 38.1479 171.7753 121 V 3.7619 7.8859 125.6274 63.1997 32.3435 175.4783 122 D 4.4345 8.2617 119.0245 53.0718 42.5596 174.0402 123 P 4.2838 0.0000 0.0000 65.5110 31.8136 179.2264 124 R 2.5100 7.4830 116.0124 58.1222 29.8591 178.0138 125 S 4.3525 7.4155 110.3571 61.0988 63.9130 174.5194 126 N 3.8734 7.7154 116.0639 53.9226 37.0484 172.3552 127 A 4.4622 7.2944 122.7327 50.9737 23.3646 177.5930 128 V 3.8286 8.5305 119.9636 62.9744 33.4225 175.6546 129 V 4.2613 7.8361 123.7695 60.8035 33.7785 174.0035 130 V 4.0795 7.9388 125.8031 62.3294 32.7056 174.3250 131 K 4.9177 8.6136 129.2440 54.8287 34.4072 175.2997 132 V 5.0512 8.7278 120.3359 59.5707 35.5574 174.9033 133 D 5.0792 9.6252 123.5036 51.9640 41.7061 175.4217 134 D 4.3528 8.6241 117.9762 56.4120 40.9451 177.9736 135 G 3.8467 8.9424 110.6906 45.8927 0.0000 173.4319 136 A 4.5797 8.0847 122.0547 52.1775 19.5099 179.1478 137 T 3.8297 7.9565 116.0884 67.3786 68.4329 175.8319 138 D 4.4512 8.2272 120.1289 57.3834 40.8015 178.6502 139 A 4.1355 9.2432 122.2572 54.7489 18.4168 179.9322 140 G 3.5123 7.8862 103.7529 47.9936 0.0000 175.5583 141 V 3.5851 7.9128 120.6294 65.9790 31.6838 177.6019 142 D 4.4533 8.0375 117.8422 57.0922 39.0816 178.3533 143 F 4.0301 8.1809 121.2458 61.3146 39.2152 176.9775 144 V 2.6547 8.1538 114.1180 64.1795 31.3901 176.5261 145 A 4.3468 7.6791 119.8792 54.3428 19.8467 181.1506 146 L 4.0237 7.2844 116.5609 55.4080 39.9242 179.2066 147 S 3.9063 7.3340 112.7295 59.0690 65.0442 173.9709 148 G 3.6106 7.8545 106.4184 46.4094 0.0000 172.8906 149 A 4.2746 7.4383 122.8778 49.6441 19.9022 176.9185 150 D 4.2728 8.7477 123.2440 54.7170 41.0772 177.4425 151 S 4.2241 8.6766 121.4120 60.0050 63.1157 176.0173 152 A 4.0574 10.6000 123.7399 54.8899 18.4292 178.6753 153 Q 3.6758 8.4650 114.8147 57.4483 29.2233 175.8013 154 V 4.3085 6.3830 111.2922 61.0737 34.3988 175.6135 155 R 4.6309 7.9355 113.9030 56.3733 31.7088 173.4073 156 I 4.2847 8.2638 124.1672 61.1883 38.0479 174.7306 157 E 4.9537 9.2391 125.1327 54.6309 34.3816 176.2988 158 S 4.9373 8.2164 113.6336 58.2836 63.1460 173.9015 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 18 I 8.02 4.15 1.91 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.40 0.94 0.00 0.00 19 F 8.41 4.99 0.00 3.03 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 20 P 0.00 4.19 0.00 1.56 1.31 0.00 2.94 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.98 0.00 21 T 8.41 3.36 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 1.22 0.00 0.00 22 Q 7.89 3.95 0.00 2.17 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.77 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 23 L 7.85 3.90 0.00 1.67 1.65 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.22 0.00 2.31 2.03 0.00 3.61 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.27 0.00 25 Q 7.99 3.78 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 26 Y 8.17 3.58 0.00 1.52 2.62 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 27 L 7.90 3.71 0.00 1.97 1.59 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 8.84 3.45 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 29 T 8.40 4.10 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 1.19 0.00 0.00 30 E 8.58 3.66 0.00 1.55 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 2.18 2.25 0.00 31 K 8.00 3.68 0.00 1.81 1.87 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.50 7.81 32 L 7.70 3.77 0.00 1.89 1.69 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.12 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.06 4.02 0.00 2.04 1.99 0.00 3.15 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 35 T 7.96 3.97 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 1.19 0.00 0.00 36 Q 8.57 4.09 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.64 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 37 A 7.88 3.75 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 38 A 8.01 3.82 1.29 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 39 A 7.83 3.84 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 40 I 7.90 3.75 2.09 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.20 1.18 0.00 0.00 41 E 7.87 3.03 0.00 1.69 1.64 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 1.91 2.29 0.00 42 R 7.68 3.92 0.00 1.84 1.86 0.00 3.28 0.00 0.00 3.09 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 43 E 8.94 3.70 0.00 1.67 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 1.47 1.95 0.00 44 F 7.50 4.45 0.00 3.44 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 45 G 8.52 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 46 A 8.82 4.41 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 47 Q 7.77 4.32 0.00 2.40 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.94 0.00 0.00 0.00 0.00 0.00 2.67 2.51 0.00 48 F 9.39 4.64 0.00 3.22 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 49 A 9.90 4.10 1.29 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 50 G 5.38 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 51 S 8.14 4.49 0.00 3.79 3.57 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 52 W 7.01 4.96 0.00 3.45 3.37 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 53 I 8.83 5.07 2.22 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.73 1.40 0.00 0.00 54 E 9.00 4.91 0.00 2.01 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 2.43 2.69 0.00 55 R 8.74 3.24 0.00 1.53 1.64 0.00 3.09 0.00 0.00 3.03 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.16 0.00 56 N 8.82 3.99 0.00 2.61 3.00 0.00 0.00 7.21 7.26 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 57 E 7.92 3.52 0.00 2.23 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 2.19 2.36 0.00 58 D 8.26 4.43 0.00 2.78 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 59 G 8.87 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 0.00 0.00 0.00 0.00 60 S 7.58 4.43 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 61 F 8.83 5.14 0.00 3.12 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 62 K 8.31 4.64 0.00 1.83 2.02 0.00 1.83 0.00 0.00 1.89 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.45 7.81 63 L 8.67 4.44 0.00 1.79 1.80 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.47 5.08 1.79 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 0.66 0.00 0.00 1.01 0.00 0.00 65 A 8.66 5.13 1.21 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 0.00 0.00 66 A 8.48 5.07 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 67 T 8.10 4.81 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 1.11 0.00 0.00 68 S 8.99 5.13 0.00 4.08 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 69 G 8.20 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 0.00 0.00 0.00 0.00 70 A 8.66 3.83 1.32 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 0.00 0.00 71 R 7.57 3.93 0.00 2.12 2.17 0.00 3.36 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.14 0.00 72 K 8.84 4.12 0.00 1.91 1.99 0.00 1.56 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.39 7.81 73 S 7.77 4.85 0.00 3.99 3.90 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 74 S 8.24 4.58 0.00 4.09 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 75 T 8.81 3.86 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 1.20 0.00 0.00 76 L 7.71 3.95 0.00 1.71 1.67 0.92 0.81 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 77 G 8.55 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 0.00 0.00 0.00 78 G 8.90 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 0.00 0.00 0.00 79 V 7.31 4.05 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 0.84 0.00 0.00 0.96 0.00 0.00 80 E 8.72 4.56 0.00 2.10 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 2.23 2.24 0.00 81 V 8.35 4.36 2.37 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 1.15 0.00 0.00 1.10 0.00 0.00 82 R 8.11 4.49 0.00 1.97 1.70 0.00 3.44 0.00 0.00 3.42 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.79 0.00 83 N 8.83 5.10 0.00 2.65 2.73 0.00 0.00 6.95 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 84 V 8.53 4.40 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 0.80 0.00 0.00 0.99 0.00 0.00 85 R 8.93 3.67 0.00 1.61 1.81 0.00 3.00 0.00 0.00 3.07 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 86 Y 7.74 4.63 0.00 2.96 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 87 S 8.31 4.83 0.00 4.28 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 88 L 8.51 3.88 0.00 1.91 1.88 0.98 0.36 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 89 K 7.41 3.87 0.00 1.98 1.93 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.23 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.61 7.81 90 Q 8.44 4.23 0.00 2.45 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.57 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 91 L 7.99 3.94 0.00 1.71 1.70 0.95 0.60 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 92 Q 8.23 4.05 0.00 2.45 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 93 S 8.00 4.03 0.00 4.00 4.10 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 94 A 7.96 4.09 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 95 M 8.71 4.11 0.00 2.35 2.24 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.77 0.00 96 E 8.20 4.03 0.00 2.38 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 2.38 2.42 0.00 97 Q 8.17 4.11 0.00 2.04 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.71 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 98 L 8.27 3.48 0.00 1.91 1.28 0.84 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 99 D 7.97 4.72 0.00 2.97 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 0.00 100 A 8.57 4.27 1.32 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 0.00 0.00 101 G 8.35 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 0.00 102 A 7.62 4.44 1.48 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 0.00 0.00 *115 G 8.24 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 0.00 116 V 7.69 4.20 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 0.79 0.00 0.00 0.75 0.00 0.00 117 Q 9.53 4.42 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.53 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 118 S 7.46 4.62 0.00 3.65 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 0.00 119 W 9.46 5.24 0.00 3.37 3.04 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 0.00 120 Y 8.48 5.22 0.00 3.25 3.18 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 0.00 121 V 7.89 3.76 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 0.82 0.00 0.00 1.01 0.00 0.00 122 D 8.26 4.43 0.00 2.87 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 0.00 123 P 0.00 4.28 0.00 2.50 2.50 0.00 3.72 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.19 0.00 124 R 7.48 2.51 0.00 1.63 1.48 0.00 3.06 0.00 0.00 3.10 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.09 0.00 125 S 7.42 4.35 0.00 3.85 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 0.00 126 N 7.72 3.87 0.00 2.81 3.28 0.00 0.00 6.80 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 0.00 127 A 7.29 4.46 1.20 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 0.00 0.00 128 V 8.53 3.83 2.18 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 0.94 0.00 0.00 0.93 0.00 0.00 129 V 7.84 4.26 1.48 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 0.72 0.00 0.00 0.91 0.00 0.00 130 V 7.94 4.08 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 0.77 0.00 0.00 1.07 0.00 0.00 131 K 8.61 4.92 0.00 1.85 1.80 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.41 7.81 132 V 8.73 5.05 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 0.81 0.00 0.00 0.99 0.00 0.00 133 D 9.63 5.08 0.00 2.63 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 0.00 134 D 8.62 4.35 0.00 2.66 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 0.00 135 G 8.94 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 0.00 136 A 8.08 4.58 1.38 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 0.00 0.00 137 T 7.96 3.83 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 1.21 0.00 0.00 138 D 8.23 4.45 0.00 2.68 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.24 4.14 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 0.00 140 G 7.89 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 V 7.91 3.59 2.29 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 0.85 0.00 0.00 0.93 0.00 0.00 142 D 8.04 4.45 0.00 2.92 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 0.00 143 F 8.18 4.03 0.00 3.06 3.18 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 0.00 144 V 8.15 2.65 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 0.74 0.00 0.00 1.03 0.00 0.00 145 A 7.68 4.35 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 0.00 146 L 7.28 4.02 0.00 1.85 1.82 0.94 0.61 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 0.00 147 S 7.33 3.91 0.00 3.00 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 0.00 148 G 7.85 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 A 7.44 4.27 1.11 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 0.00 0.00 150 D 8.75 4.27 0.00 2.67 2.58 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 0.00 151 S 8.68 4.22 0.00 3.99 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 0.00 152 A 10.60 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 8.47 3.68 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.44 0.00 0.00 0.00 0.00 0.00 1.92 1.16 0.00 154 V 6.38 4.31 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 0.73 0.00 0.00 0.95 0.00 0.00 155 R 7.94 4.63 0.00 1.80 1.86 0.00 3.14 0.00 0.00 3.29 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.44 0.00 156 I 8.26 4.28 1.86 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 1.34 0.64 0.90 0.00 0.00 157 E 9.24 4.95 0.00 1.84 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 2.18 2.26 0.00 158 S 8.22 4.94 0.00 3.91 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 * Residues marked with a * may have inaccurate shift predictions.