NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4408 8.3344 116.7927 58.0503 64.3487 173.4979 4 K 3.8556 8.7740 125.8524 57.7958 32.3192 175.2374 5 N 4.9228 8.7419 117.2464 51.8503 42.2660 172.4434 6 T 4.7735 8.3066 121.5484 61.6066 71.8846 173.7412 7 I 3.8709 8.5858 127.3693 61.2148 38.2574 174.3598 8 C 5.1709 8.5286 128.1196 57.6272 33.1503 172.6062 9 L 4.7970 9.0457 126.6551 52.5314 44.5148 175.5394 10 W 4.6473 8.8438 133.8560 57.2545 31.6225 174.7743 11 Y 4.8846 9.0618 124.0978 56.4305 41.6834 174.4265 12 D 5.1691 9.1186 122.2175 52.8811 41.5580 176.1275 13 S 3.5572 8.6456 122.4468 58.4876 61.9387 173.9374 14 A 4.4875 8.0359 117.5007 53.0321 20.9934 178.4824 15 A 2.6046 8.5933 123.3667 55.9059 18.2234 180.6020 16 L 3.5897 7.4453 118.1280 57.9316 42.2566 178.4700 17 E 3.7478 7.8106 118.5777 59.1142 29.5428 178.5342 18 A 2.0000 7.0250 120.5484 54.2996 18.1416 179.4285 19 A 2.9927 6.8206 119.1756 55.1681 18.3169 180.0755 20 T 3.7000 7.5495 114.1969 66.5537 68.3966 176.6318 21 F 4.4075 7.8771 123.8468 61.0643 39.4330 176.7558 22 Y 4.3461 7.8175 116.1334 61.1934 37.4645 178.5345 23 A 4.1342 8.0488 120.9897 54.6530 18.3277 178.6987 24 E 4.1507 8.0678 114.3554 57.7990 29.9194 178.2056 25 T 3.7474 6.9036 116.1121 63.4392 69.7437 174.6526 26 F 4.9527 7.0203 117.5339 54.5051 41.6161 173.6574 27 P 4.4202 0.0000 0.0000 63.0298 32.1242 174.9419 28 D 4.3961 8.5831 115.3647 55.6303 39.4407 173.1320 29 S 5.0109 7.4579 111.6423 56.9323 67.1599 173.2433 30 A 4.5654 8.4220 122.4810 51.1494 23.0170 175.4207 31 V 4.2303 8.4846 120.8535 62.6055 31.8761 175.4158 32 L 4.6280 9.0019 127.9296 56.3875 43.2599 176.8047 33 A 4.5561 7.5331 117.0815 50.8349 22.5223 175.3116 34 V 4.6540 8.2478 119.7533 61.3221 34.4080 174.4864 35 H 5.0453 9.1552 124.1485 54.1633 32.1690 173.2530 36 R 4.9997 8.5575 120.7010 54.2954 32.2280 176.0202 37 A 4.0651 7.7227 121.8895 51.1796 19.0679 177.7164 38 P 4.2805 0.0000 0.0000 63.0584 29.3841 177.4875 *48 D 4.5647 8.1539 120.4515 54.0742 42.7184 175.9920 49 V 3.9233 7.7307 118.8008 63.1157 31.9872 174.7420 50 L 4.4409 9.2106 130.5861 57.1558 43.2089 176.2208 51 T 5.2647 7.7164 106.9644 59.8925 73.0535 172.5368 52 V 4.7934 8.7331 121.9331 61.3134 34.8326 174.0383 53 E 5.1157 9.2280 128.2386 55.6445 31.1666 175.4523 54 F 5.3783 8.8135 117.9352 55.9231 42.2222 172.7435 55 R 5.0037 9.4478 120.0136 54.1804 33.1879 175.6622 56 V 4.4094 8.0031 125.6829 61.8448 32.2513 177.2064 *58 G 3.9675 8.4197 107.4824 46.3247 0.0000 174.0739 59 I 4.2680 7.6916 122.8841 60.1176 38.4209 173.7894 60 P 4.7558 0.0000 0.0000 62.8502 32.6442 175.1187 61 C 5.1951 9.1238 121.0088 57.5781 32.8636 172.6627 62 L 5.0530 8.9056 122.4717 53.4421 44.9913 175.1508 63 G 4.7642 9.6805 114.3930 44.6793 0.0000 171.7815 64 L 4.9481 8.8002 127.1322 53.3117 44.4663 175.1621 65 N 4.9939 9.0318 125.3154 52.1072 38.0535 174.5728 66 G 3.6204 8.2180 109.5117 45.2993 0.0000 172.1472 67 G 4.1589 8.4072 110.0083 43.6649 0.0000 172.1247 68 P 4.5844 0.0000 0.0000 63.1568 31.5686 177.7205 69 A 3.8491 8.1473 122.8168 54.5220 18.2725 178.0036 70 F 4.6736 6.7348 112.9782 55.3436 41.5164 174.7027 71 R 4.6400 8.2188 123.8868 54.4269 32.2165 175.3477 72 H 4.5059 8.6475 121.8670 56.0498 29.6671 174.4163 73 S 4.7969 8.2483 115.0352 56.6724 65.9903 174.6426 74 E 4.3738 8.8498 119.2391 58.1346 29.2709 178.2230 75 A 4.1644 7.8587 121.8940 54.1641 18.5973 177.6112 76 F 4.9102 7.8975 116.3119 56.3866 41.6818 174.3248 77 S 3.7769 6.8739 119.7497 56.6589 66.0750 173.1049 78 F 4.2489 7.4128 120.4378 56.4375 40.1663 174.5274 79 Q 4.7392 8.5267 125.5762 54.5511 30.2552 174.4879 80 V 4.3433 8.9662 127.6364 61.1432 33.5553 174.3248 81 A 4.9674 8.6781 130.6496 51.6470 19.1687 176.3634 82 T 4.8218 8.5723 112.8790 60.4382 71.4301 175.1309 83 D 4.5574 9.0480 122.4059 55.7525 42.1169 176.4707 84 D 4.5773 7.3871 117.3342 51.3753 43.1495 175.8019 85 Q 3.9525 8.5620 119.3559 59.0708 28.9466 177.6645 86 A 3.9844 7.9321 121.5620 55.1356 18.4864 179.0933 87 E 3.9299 8.7583 117.9720 59.4724 29.7530 178.9227 88 T 3.9362 7.9511 115.8349 66.9914 68.5086 176.2800 89 D 4.4343 8.4671 120.9842 57.2366 40.8107 178.8262 90 R 3.8890 8.0872 119.2314 59.4661 30.1168 178.6889 91 L 3.8981 8.1179 118.7361 57.3388 41.6211 178.9129 92 W 4.2332 8.3594 128.3560 60.9305 30.5883 177.7455 93 N 4.3984 8.7483 116.1130 56.1921 37.6020 177.2508 94 A 4.0261 8.0185 122.1902 55.2396 18.2323 179.8724 95 I 3.8196 7.6367 118.1889 64.5219 37.3462 178.9280 96 V 3.4537 7.6529 119.2006 66.0958 31.1686 177.7586 97 D 4.4209 8.2841 117.1949 55.8670 41.9175 177.1115 98 N 4.5648 7.4517 118.9903 52.1667 35.4935 174.9750 99 G 3.6693 7.4848 106.7036 46.1245 0.0000 172.5057 100 G 4.4210 7.2496 107.4857 44.3012 0.0000 173.2116 101 E 4.8659 8.4953 117.7829 54.7840 34.2618 175.1189 102 E 4.2153 8.7542 122.8271 56.5440 30.3438 176.5745 103 S 4.6393 8.8733 116.3581 57.3246 65.3972 172.5363 104 A 4.6467 8.5749 120.3826 52.2878 20.4039 176.7541 105 C 4.2640 9.6720 115.2906 61.0639 25.7507 174.7886 106 G 4.1302 8.9498 107.3256 45.1682 0.0000 173.6388 107 W 5.2688 8.6221 120.6878 56.5561 30.8931 175.2688 108 C 5.1391 9.6155 117.6281 57.3099 33.4929 172.5180 109 R 5.4000 8.9485 117.0947 54.5823 34.0877 175.9466 110 D 5.0251 9.4549 123.1815 51.7916 41.2565 177.1279 111 K 3.7235 7.8751 118.8069 58.1427 31.8064 177.0552 112 W 4.6939 8.3693 115.9866 56.4153 29.2662 176.9546 113 G 4.1255 8.5088 107.4082 45.1079 0.0000 173.9581 114 I 4.1467 8.3572 121.6227 61.1568 38.6450 175.3844 115 S 5.1362 8.6532 122.4257 57.9178 64.5364 173.1490 116 W 5.1305 9.3427 123.5336 54.9037 33.2052 174.2269 117 Q 4.9011 9.0532 122.5701 54.3214 30.8256 174.8360 118 I 4.6967 9.0501 126.5402 60.2705 38.0360 175.2575 119 T 4.5295 8.9001 125.1342 60.6700 71.0257 172.1398 120 P 4.7794 0.0000 0.0000 62.2091 32.0866 178.0294 121 R 3.8998 9.0719 123.3392 59.5219 30.0024 179.5704 122 V 3.4649 7.7516 117.4400 65.7875 31.4495 177.7808 123 L 3.8820 7.6440 119.4356 58.2928 41.6868 178.7419 124 S 4.1472 7.8626 114.7163 61.8083 62.5582 176.6888 125 E 3.9152 8.1998 119.9120 59.2342 29.5480 179.0039 126 A 3.6404 7.7841 120.6903 55.2360 18.2453 179.8773 127 I 3.7790 7.7130 116.6333 63.7347 37.2195 177.5249 128 A 4.4135 7.3273 118.4631 50.9939 19.4242 177.2363 129 S 4.2636 7.3225 113.2797 57.3767 62.9687 172.7872 130 P 4.2894 0.0000 0.0000 65.0086 31.3753 176.8282 131 D 4.5048 7.9771 118.8465 53.3954 40.1867 176.0626 132 R 3.8330 8.3441 126.4809 59.0471 30.3191 177.6669 133 A 3.9235 7.9194 119.7995 55.1115 18.4444 179.3472 134 A 3.5874 7.8936 118.5354 55.0812 18.3049 179.6120 135 A 4.3663 8.2455 119.6250 55.5949 18.4111 179.9062 136 R 4.0234 8.3515 117.3120 59.4854 30.1288 178.9417 137 R 3.9627 8.1520 117.9549 59.1659 29.8231 178.8932 138 A 4.1382 8.0383 119.7701 55.0328 18.4800 179.1348 139 F 4.5068 8.3647 118.4117 61.5930 39.5615 176.9719 140 E 4.1617 8.3721 116.9692 58.4883 30.3747 178.5965 141 A 4.2591 7.5997 122.1475 52.3181 15.9261 177.2849 *144 T 4.0369 7.8884 115.3283 61.0403 71.8754 176.9464 *146 G 3.9271 8.3425 109.9575 46.2358 0.0000 174.6976 147 R 2.5844 8.3117 116.6727 55.5652 31.2672 175.2928 148 I 3.7212 7.7494 125.9402 61.0241 37.9291 175.3981 149 D 4.7953 8.3581 124.5877 52.6762 42.0932 176.7886 150 I 3.6640 9.0060 129.8204 64.3855 37.1364 178.2864 151 A 3.9891 7.9626 121.0979 55.6161 18.2493 179.7138 152 T 3.8650 8.0476 113.7563 66.6895 68.4307 177.1488 153 I 3.7879 7.7679 121.8451 64.4561 37.1064 178.3915 154 E 4.0290 8.5556 119.8031 59.0900 29.0600 179.2700 155 K 3.9460 8.1345 118.7529 59.4267 32.3786 178.3879 156 A 4.1666 7.8842 119.7501 55.2221 18.4146 179.0557 157 F 4.3701 8.2925 118.0734 61.2045 39.5827 175.4593 158 K 4.2531 8.2357 122.6277 56.7361 32.1725 176.1234 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 3 S 8.33 4.44 0.00 3.85 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 4 K 8.77 3.86 0.00 1.76 1.83 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.54 7.81 5 N 8.74 4.92 0.00 2.62 2.62 0.00 0.00 6.75 7.70 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 6 T 8.31 4.77 4.20 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 1.16 0.00 0.00 7 I 8.59 3.87 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.89 0.72 0.00 0.00 8 C 8.53 5.17 0.00 2.92 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 9 L 9.05 4.80 0.00 1.88 1.48 1.30 -0.02 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 10 W 8.84 4.65 0.00 3.41 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 11 Y 9.06 4.88 0.00 2.98 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 12 D 9.12 5.17 0.00 2.96 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 13 S 8.65 3.56 0.00 4.20 4.06 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 14 A 8.04 4.49 1.43 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 0.00 0.00 15 A 8.59 2.60 1.18 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 16 L 7.45 3.59 0.00 1.62 1.52 0.80 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.81 3.75 0.00 2.03 1.98 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 2.63 2.45 0.00 18 A 7.03 2.00 -0.62 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 0.00 0.00 19 A 6.82 2.99 0.58 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 0.00 0.00 20 T 7.55 3.70 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 1.17 0.00 0.00 21 F 7.88 4.41 0.00 3.18 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 22 Y 7.82 4.35 0.00 3.24 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 23 A 8.05 4.13 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 24 E 8.07 4.15 0.00 2.15 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 2.31 2.19 0.00 25 T 6.90 3.75 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 -0.04 0.00 0.00 26 F 7.02 4.95 0.00 2.99 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 27 P 0.00 4.42 0.00 2.20 2.08 0.00 4.10 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 28 D 8.58 4.40 0.00 2.84 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 29 S 7.46 5.01 0.00 4.11 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 30 A 8.42 4.57 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 31 V 8.48 4.23 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 0.80 0.00 0.00 0.86 0.00 0.00 32 L 9.00 4.63 0.00 1.67 1.71 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.53 4.56 1.14 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 0.00 0.00 34 V 8.25 4.65 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 0.81 0.00 0.00 0.88 0.00 0.00 35 H 9.16 5.05 0.00 3.06 3.11 0.00 5.65 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.56 5.00 0.00 1.67 1.84 0.00 3.26 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.86 0.00 37 A 7.72 4.07 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 38 P 0.00 4.28 0.00 2.05 2.08 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 *48 D 8.15 4.56 0.00 2.72 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 49 V 7.73 3.92 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 0.74 0.00 0.00 0.89 0.00 0.00 50 L 9.21 4.44 0.00 1.81 1.73 0.89 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.72 5.26 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 1.18 0.00 0.00 52 V 8.73 4.79 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 1.03 0.00 0.00 0.86 0.00 0.00 53 E 9.23 5.12 0.00 2.00 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 2.33 2.36 0.00 54 F 8.81 5.38 0.00 3.30 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 55 R 9.45 5.00 0.00 1.87 1.83 0.00 3.16 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 56 V 8.00 4.41 1.72 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 0.59 0.00 0.00 1.21 0.00 0.00 *58 G 8.42 3.97 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 0.00 0.00 0.00 59 I 7.69 4.27 1.93 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 1.36 0.87 0.99 0.00 0.00 60 P 0.00 4.76 0.00 2.06 2.14 0.00 3.61 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.97 0.00 61 C 9.12 5.20 0.00 1.23 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 0.00 0.00 0.00 62 L 8.91 5.05 0.00 1.62 1.43 0.99 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 63 G 9.68 4.76 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 64 L 8.80 4.95 0.00 1.61 1.17 0.76 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 65 N 9.03 4.99 0.00 2.78 2.75 0.00 0.00 6.79 7.78 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 66 G 8.22 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 0.00 0.00 0.00 67 G 8.41 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 0.00 0.00 0.00 0.00 68 P 0.00 4.58 0.00 2.25 2.36 0.00 3.80 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 69 A 8.15 3.85 0.71 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 70 F 6.73 4.67 0.00 2.04 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 71 R 8.22 4.64 0.00 1.72 1.78 0.00 3.26 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 72 H 8.65 4.51 0.00 3.42 3.32 0.00 5.72 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 S 8.25 4.80 0.00 3.98 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 74 E 8.85 4.37 0.00 1.95 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 2.15 2.59 0.00 75 A 7.86 4.16 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 76 F 7.90 4.91 0.00 2.86 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 77 S 6.87 3.78 0.00 3.25 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 78 F 7.41 4.25 0.00 1.87 2.42 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 79 Q 8.53 4.74 0.00 1.83 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.73 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 80 V 8.97 4.34 2.27 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 1.02 0.00 0.00 1.04 0.00 0.00 81 A 8.68 4.97 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 82 T 8.57 4.82 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 1.33 0.00 0.00 83 D 9.05 4.56 0.00 2.69 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 84 D 7.39 4.58 0.00 2.90 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 85 Q 8.56 3.95 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 86 A 7.93 3.98 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 87 E 8.76 3.93 0.00 2.06 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 2.35 2.37 0.00 88 T 7.95 3.94 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 1.19 0.00 0.00 89 D 8.47 4.43 0.00 2.72 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 90 R 8.09 3.89 0.00 1.99 2.06 0.00 3.04 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 91 L 8.12 3.90 0.00 1.87 1.83 1.10 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 92 W 8.36 4.23 0.00 3.56 3.31 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 93 N 8.75 4.40 0.00 2.91 3.06 0.00 0.00 6.99 8.51 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 94 A 8.02 4.03 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 95 I 7.64 3.82 1.70 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.05 0.90 0.00 0.00 96 V 7.65 3.45 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 0.93 0.00 0.00 -0.03 0.00 0.00 97 D 8.28 4.42 0.00 2.71 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 98 N 7.45 4.56 0.00 2.66 2.42 0.00 0.00 7.18 7.86 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 99 G 7.48 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 0.00 100 G 7.25 4.42 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 0.00 101 E 8.50 4.87 0.00 1.85 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 2.20 2.43 0.00 102 E 8.75 4.22 0.00 2.00 2.25 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 2.42 2.38 0.00 103 S 8.87 4.64 0.00 3.95 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 0.00 104 A 8.57 4.65 1.25 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 0.00 105 C 9.67 4.26 0.00 3.32 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 0.00 106 G 8.95 4.13 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 0.00 0.00 0.00 107 W 8.62 5.27 0.00 3.52 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 0.00 108 C 9.62 5.14 0.00 2.59 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 0.00 0.00 0.00 109 R 8.95 5.40 0.00 1.79 1.92 0.00 3.23 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 110 D 9.45 5.03 0.00 3.24 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 0.00 111 K 7.88 3.72 0.00 1.16 0.74 0.00 1.02 0.00 0.00 0.61 0.00 0.00 2.74 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.30 0.85 7.81 112 W 8.37 4.69 0.00 4.07 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 0.00 113 G 8.51 4.13 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 0.00 0.00 0.00 114 I 8.36 4.15 2.68 0.00 0.00 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 0.95 0.72 0.83 0.00 0.00 115 S 8.65 5.14 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 0.00 116 W 9.34 5.13 0.00 3.26 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 0.00 117 Q 9.05 4.90 0.00 1.63 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 118 I 9.05 4.70 2.24 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.15 1.14 0.00 0.00 119 T 8.90 4.53 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 1.23 0.00 0.00 120 P 0.00 4.78 0.00 2.05 1.97 0.00 3.89 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.97 0.00 121 R 9.07 3.90 0.00 1.82 1.97 0.00 3.13 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 122 V 7.75 3.46 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 0.93 0.00 0.00 0.88 0.00 0.00 123 L 7.64 3.88 0.00 1.79 1.84 0.98 1.03 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 0.00 124 S 7.86 4.15 0.00 4.06 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 0.00 125 E 8.20 3.92 0.00 1.99 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 2.30 2.38 0.00 126 A 7.78 3.64 1.08 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 0.00 127 I 7.71 3.78 1.90 0.00 0.00 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 1.79 1.02 0.84 0.00 0.00 128 A 7.33 4.41 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 0.00 129 S 7.32 4.26 0.00 4.17 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 0.00 130 P 0.00 4.29 0.00 2.23 2.18 0.00 3.88 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 2.02 1.98 0.00 131 D 7.98 4.50 0.00 2.77 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 0.00 132 R 8.34 3.83 0.00 1.94 1.89 0.00 3.26 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 133 A 7.92 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 0.00 134 A 7.89 3.59 0.49 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 0.00 135 A 8.25 4.37 1.54 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 0.00 0.00 136 R 8.35 4.02 0.00 2.04 2.09 0.00 3.15 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.80 0.00 137 R 8.15 3.96 0.00 2.11 2.09 0.00 3.21 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 138 A 8.04 4.14 1.57 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 0.00 0.00 139 F 8.36 4.51 0.00 3.09 3.33 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 0.00 140 E 8.37 4.16 0.00 2.17 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 2.36 2.56 0.00 141 A 7.60 4.26 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 *144 T 7.89 4.04 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 1.25 0.00 0.00 *146 G 8.34 3.93 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 0.00 0.00 0.00 147 R 8.31 2.58 0.00 0.67 1.25 0.00 2.96 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.54 0.00 148 I 7.75 3.72 1.80 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 1.26 0.93 0.88 0.00 0.00 149 D 8.36 4.80 0.00 2.70 2.51 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 0.00 150 I 9.01 3.66 1.93 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.51 0.89 0.00 0.00 151 A 7.96 3.99 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 0.00 152 T 8.05 3.87 4.38 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 1.21 0.00 0.00 153 I 7.77 3.79 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.86 0.92 0.00 0.00 154 E 8.56 4.03 0.00 2.15 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 2.31 2.41 0.00 155 K 8.13 3.95 0.00 1.86 2.01 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.48 7.81 156 A 7.88 4.17 1.50 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 0.00 0.00 0.00 157 F 8.29 4.37 0.00 3.13 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 0.00 158 K 8.24 4.25 0.00 2.03 1.88 0.00 1.91 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.49 7.81 * Residues marked with a * may have inaccurate shift predictions.