NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.2789 8.1844 120.6297 54.6415 43.1244 174.9517 5 K 4.3606 8.2819 120.5585 52.2470 33.6513 172.7955 6 P 4.5220 0.0000 0.0000 61.6904 33.3982 175.4413 7 A 4.2568 8.2764 124.6579 51.2823 19.1878 177.0412 8 L 4.0759 8.2798 120.1095 54.0363 42.2075 176.0121 9 P 4.0690 0.0000 0.0000 62.6159 31.9195 177.1895 10 D 4.3395 8.5762 122.2530 57.4907 40.6194 178.4646 11 Y 4.3662 7.7805 117.7281 60.1269 37.5910 178.4968 12 L 4.2615 7.7488 121.1979 57.6655 41.4658 179.2482 13 G 3.8014 8.5042 104.8859 46.6697 0.0000 174.2529 14 N 4.8326 8.2502 117.7965 52.1999 38.9690 173.6588 15 I 4.9066 7.2269 122.3357 59.8331 38.9050 175.2891 16 R 4.8673 9.0997 126.0634 54.5105 33.0364 174.9088 17 I 4.8651 8.7404 124.5040 59.8694 39.5244 174.6174 18 I 4.9658 9.1116 128.1422 59.5237 40.1146 174.3675 19 L 5.2456 8.9732 127.6316 53.2186 44.1911 175.6561 20 T 4.8015 8.4150 120.2246 62.1060 71.3361 174.4517 21 R 4.3449 8.3262 125.0776 56.3121 28.4687 177.0536 22 T 4.2257 7.6046 113.6219 63.9040 69.7341 176.0669 23 S 4.6984 9.7933 122.7915 60.3411 63.8156 173.7370 24 H 4.8930 8.4765 121.7787 53.8966 30.1627 173.6954 25 P 4.2551 0.0000 0.0000 65.7419 31.7259 178.4373 26 A 3.9720 8.3897 119.5572 55.3749 18.1857 179.2088 27 N 4.2119 8.0176 114.3733 56.3810 38.5179 177.7688 28 I 3.7257 7.5626 121.5326 64.1342 37.2036 178.5460 29 G 3.5382 7.9167 106.0084 47.9760 0.0000 175.5343 30 S 4.0639 8.3033 118.2163 61.0623 62.6147 176.6386 31 A 3.7991 7.7730 121.8195 55.1255 18.2087 178.9677 32 A 4.0459 7.5864 117.6951 55.4123 18.6488 179.5247 33 R 3.9849 7.9568 116.6414 59.4546 29.9312 179.1987 34 A 4.0825 7.9520 115.7233 53.0665 18.3349 177.8776 *36 K 4.4109 7.9254 122.6392 58.2458 33.7667 178.0669 37 T 3.7494 7.5309 112.5058 64.2942 68.0091 174.6374 *39 G 3.9507 8.0388 107.8992 45.1218 0.0000 172.9033 40 L 4.8353 8.0123 118.9493 52.9269 43.5590 176.0848 41 H 4.8039 8.6664 115.8437 54.9928 29.8866 173.5284 42 R 4.4831 7.7700 120.2517 54.8039 31.6589 174.1810 43 L 5.2086 8.3658 126.2580 53.3625 45.0752 174.9297 44 T 5.1139 8.9394 122.2024 61.8438 72.0853 172.7358 45 I 4.7537 8.9058 127.4114 59.4931 39.8661 174.6999 46 V 4.8682 8.3014 126.6751 60.8438 34.2337 175.5979 47 T 2.9835 7.6052 124.9080 63.6312 65.8197 170.0434 48 P 4.4718 0.0000 0.0000 62.6586 32.9385 178.3187 49 N 5.0479 8.3797 120.1669 51.0458 36.9332 173.9862 50 L 5.6627 8.1405 125.3408 54.6137 43.7782 175.8528 *52 A 4.2185 8.3320 121.4494 52.7217 19.3644 176.0435 53 T 4.6829 8.1882 111.7152 58.7491 71.7808 172.7022 54 P 4.1170 0.0000 0.0000 64.2104 31.6277 177.6798 *56 T 4.1452 7.7853 118.1788 63.5815 68.7368 174.5565 57 E 3.9805 8.4473 120.1383 58.2632 30.1732 178.0524 58 N 5.0018 7.6431 116.6783 49.5435 38.7940 171.4596 59 P 4.3582 0.0000 0.0000 61.6848 32.1452 175.6030 60 P 4.3409 0.0000 0.0000 62.8385 31.8711 175.5426 61 V 4.3762 8.1730 120.1242 61.2557 32.9012 174.9478 62 F 4.6297 8.9256 129.4462 57.4953 40.2299 173.9499 63 N 4.5422 7.8520 126.1216 50.8702 39.6532 172.9195 64 P 3.9707 0.0000 0.0000 65.2747 31.5890 177.6066 65 D 4.5046 7.7867 116.3475 55.7480 41.8442 176.2281 66 D 4.7719 7.6099 117.8521 52.1143 41.1987 175.8114 67 V 3.6535 7.8109 124.9604 66.4098 32.3579 178.3316 68 Q 4.1706 8.2168 117.1692 58.0239 27.9138 181.2118 69 S 4.3628 7.8286 111.5497 60.6916 63.1849 174.4238 70 F 4.1549 8.3759 123.3096 57.8189 39.3182 173.9924 71 A 4.7005 7.6296 130.6104 49.7708 21.1123 175.5567 72 L 4.0410 8.4823 123.3132 53.8509 42.7277 175.6205 73 P 4.4563 0.0000 0.0000 62.2468 32.2846 176.8881 74 E 4.1066 8.9865 120.7513 59.8138 29.3154 178.7359 75 E 4.0049 8.3124 118.6323 59.4530 29.7000 178.9498 76 S 4.1304 7.9405 114.4364 61.6768 62.7142 176.4895 77 F 4.0648 7.9570 118.3494 60.6638 39.0769 177.1937 78 I 3.9027 8.3271 119.5986 64.7471 36.8377 178.4776 79 L 4.1252 7.8902 117.2333 56.9686 41.7247 178.9848 80 A 4.1790 7.9215 120.7328 52.1590 18.1451 178.8039 81 S 3.4389 8.5600 112.7492 60.2461 62.2410 174.1986 82 G 3.8913 8.9758 117.7928 47.2374 0.0000 172.9236 83 A 4.7605 8.3345 121.6129 51.1530 19.3437 179.3169 84 A 4.1176 7.8382 122.9528 56.1120 18.2385 180.1008 85 D 4.4824 8.3392 117.4627 57.1214 38.8688 179.0070 86 V 3.7147 7.3424 118.3750 65.8326 31.8002 177.7031 87 L 4.0783 7.8446 117.8802 58.0828 41.2955 179.0282 88 H 4.5356 8.4056 115.3374 58.2337 28.6786 176.5393 89 N 4.8000 8.0103 115.7210 52.0587 39.1157 174.9501 90 A 4.4020 7.2881 123.2806 52.0300 19.5088 177.4063 91 E 4.3628 9.0609 121.8402 55.8050 30.9800 175.5707 92 I 4.9103 8.3380 125.3340 59.7890 39.3275 175.2240 93 V 4.5701 8.3693 124.7588 61.8969 34.7743 174.8205 94 A 4.5572 8.9957 128.3195 53.7249 19.6578 178.4387 95 T 4.7180 8.1176 105.8721 59.2030 72.8884 174.8109 96 L 3.9432 8.5346 124.0536 58.3926 41.9948 179.1850 97 D 4.3758 8.0623 118.4083 57.4673 40.6476 178.3610 98 E 3.9608 7.9296 117.2302 59.4561 29.5557 178.9743 99 A 4.1213 7.7614 119.5213 54.8764 18.6726 178.9739 100 L 4.2181 8.5191 115.8720 56.2149 41.9342 179.8902 101 A 3.9725 7.3715 122.9385 54.7609 18.7724 178.8470 102 D 4.9114 7.9577 112.5613 53.2736 40.0630 176.0949 103 T 4.7553 8.4469 111.2121 61.6377 70.5617 175.0751 104 T 4.4960 8.7843 112.4905 62.1820 70.8423 174.7394 105 I 4.9195 7.5941 121.7863 59.4742 41.8774 174.4109 106 A 4.9129 9.3928 127.5394 50.9832 22.5684 174.6076 107 C 4.8938 9.0862 121.3171 58.3891 30.2438 173.0557 108 A 4.4633 8.6599 127.1821 50.9639 19.1481 176.4477 109 L 4.2175 8.2814 126.5998 54.7381 42.6330 176.0808 110 T 4.6429 8.2572 115.6040 60.4304 71.9802 172.1047 111 S 4.6678 8.2365 117.6784 56.6859 65.6974 176.2713 112 R 4.2211 8.2684 121.8091 57.1353 26.2239 175.9404 113 R 4.4512 7.5815 121.0939 54.9634 29.4157 179.0810 114 R 3.5790 7.7563 123.9021 56.4107 29.1947 175.9399 *117 T 4.2143 8.5778 111.2948 63.0074 68.8523 175.1360 118 A 4.3228 7.6547 121.9356 50.4271 19.3826 174.5757 119 P 4.4252 0.0000 0.0000 62.6374 32.0076 176.3470 120 L 4.3596 8.2965 122.3562 54.5708 42.5728 176.1000 121 Q 4.8638 8.6920 121.4515 54.0907 31.6737 175.8654 122 T 4.9028 8.2288 111.9117 60.4849 70.2434 173.7222 123 P 4.2186 0.0000 0.0000 65.6481 31.1346 178.6155 124 R 4.1130 7.9483 117.4990 59.2009 29.9370 177.5409 125 D 4.5156 7.9524 116.1168 56.0796 41.4247 177.7766 126 L 4.2873 7.8386 120.4744 56.7082 42.4406 178.4895 127 V 3.5646 7.9046 118.6329 65.3804 31.3077 175.8590 128 P 4.1361 0.0000 0.0000 65.7834 31.1790 177.8934 129 E 3.9739 8.1106 117.0996 59.3727 29.4868 178.5771 130 L 3.9335 7.7080 118.4173 57.7942 41.6937 179.6420 131 L 3.5871 8.2200 119.1237 57.7149 41.5097 179.4032 132 Q 3.8088 8.0587 117.8764 58.8745 28.6166 178.8864 133 A 3.9131 7.8635 121.3154 55.1992 18.3717 179.5541 134 A 4.6120 7.9624 120.6243 54.9480 18.2456 179.2213 135 N 4.3480 8.1396 114.7061 56.9472 39.0293 176.5842 136 R 4.1894 7.8361 117.1324 56.9169 30.3545 177.3776 137 G 4.0620 8.2771 107.8278 44.7378 0.0000 173.8291 138 E 4.2793 7.9014 119.7225 55.9870 30.9416 176.3362 139 K 4.7324 8.5579 122.5204 56.3681 33.7881 176.3737 140 V 5.0644 8.7548 116.0242 59.7716 36.3725 174.3430 141 A 5.2195 8.8178 123.0031 50.3907 23.2095 174.9783 142 L 4.9446 8.9683 120.0041 52.8409 44.9894 175.7036 143 V 4.8129 8.6672 124.2947 61.0278 34.1757 174.1179 144 F 4.9150 9.4991 126.8447 55.9508 41.9235 175.5533 145 G 4.3864 8.4159 112.7925 44.2045 0.0000 172.4532 146 N 4.6694 8.4455 117.5396 53.1924 39.8235 176.5891 147 E 3.8988 8.9749 124.2758 59.9103 29.8429 178.6778 148 T 3.9836 7.7704 113.1326 65.3510 68.9727 175.7170 149 F 4.7690 7.9638 116.9265 56.4652 40.4792 177.5733 150 G 3.8968 8.4363 109.7449 45.5193 0.0000 172.3730 151 L 4.4941 8.4049 120.1908 53.7961 42.7423 177.5348 152 S 4.3371 9.4970 119.2891 58.3681 64.9423 175.4245 153 I 3.7500 8.1561 121.2932 63.9468 37.8190 177.7452 154 E 4.0315 8.0978 119.3978 59.0226 29.1311 178.7813 155 E 3.9168 7.8359 117.6604 59.4489 29.9170 179.0593 156 V 3.7056 7.8272 118.1518 66.3093 31.3421 178.3299 157 R 3.9875 7.9103 116.0187 58.8213 29.9401 178.4092 158 A 4.1790 7.6946 118.8254 53.1035 18.6714 176.9689 159 C 4.6561 7.2377 114.9542 58.3110 30.1609 173.1321 160 N 5.0459 8.5423 118.3278 52.6237 37.9329 174.2856 161 R 4.6865 7.9931 117.4600 55.2760 35.1335 174.6698 162 L 4.6579 8.3065 122.1517 53.3191 45.1933 175.1373 *164 T 4.3004 8.1040 112.7972 62.2147 67.9979 172.3721 165 I 4.4896 8.0615 126.6362 59.6387 38.2973 175.6824 166 N 4.6728 8.6558 123.1445 53.0896 39.9947 175.5146 167 G 4.1940 7.7466 107.1883 45.8269 0.0000 172.5808 168 N 4.5141 8.9011 121.1645 52.8124 39.3550 175.0146 169 P 4.2840 0.0000 0.0000 65.5681 31.4915 176.9085 170 D 4.6450 8.4512 117.0870 55.1636 41.3337 175.9014 171 Y 4.4920 7.5701 117.6152 56.6438 42.1977 173.2970 172 F 4.4907 8.0220 129.1314 56.8961 41.9596 173.9298 173 S 4.0805 7.6596 122.6687 56.5162 62.8300 171.5225 174 L 4.5196 7.8085 127.3533 52.0796 43.7545 176.5715 175 N 4.6947 9.1398 125.4575 51.9981 39.7066 175.6404 176 L 3.9235 8.3043 120.6327 58.2064 42.1042 178.4070 177 A 3.8809 7.9219 120.2852 55.3010 18.3669 179.5144 178 Q 3.9013 8.9538 116.7697 58.8286 28.7395 178.7379 179 A 4.0830 8.2999 122.2149 55.1573 18.3971 179.8516 180 V 3.1100 7.9179 117.1264 65.8670 31.5390 177.8636 181 Q 3.9337 8.1035 119.3407 59.3183 28.9092 178.5810 182 V 3.7086 8.3494 119.4157 66.1402 31.5869 178.1825 183 V 3.7496 8.0266 117.9744 66.2817 31.4415 177.8350 184 C 4.2747 8.5122 116.7835 62.7788 27.9522 175.3326 185 Y 4.1832 8.2545 121.2153 60.7288 38.2284 177.7777 186 E 3.6256 8.3788 120.0345 59.2969 29.7239 178.5533 187 I 3.7556 7.7482 119.6674 64.7133 37.2721 178.2189 188 F 3.9929 8.3896 121.3727 61.0517 39.0563 176.8898 189 S 4.2457 8.2062 112.6516 60.0528 63.0208 174.6738 190 Q 4.4790 7.5355 121.1778 55.8885 29.1239 176.8974 191 T 4.3211 7.7992 107.9897 62.4786 68.9428 174.8835 192 D 4.5854 7.7302 120.7559 53.8447 39.7006 176.3440 193 S 4.3129 7.6536 116.9561 57.6617 63.4453 173.1207 194 P 4.3788 0.0000 0.0000 63.0269 32.4883 175.6767 *196 T 3.9385 8.2657 111.5600 61.9523 69.5161 169.7298 *197 H 4.8640 8.6839 123.5543 52.3263 28.4238 171.7844 198 L 4.8779 7.9903 130.6977 53.9080 42.2825 179.7697 199 Q 4.2380 8.4559 124.8270 56.0572 30.0787 175.1079 200 Q 4.1615 8.0826 121.6879 53.9432 29.8412 173.5310 *203 H 4.6143 8.4164 110.9307 57.3012 29.4117 173.5724 204 A 4.3174 8.4647 127.1414 51.1900 19.5238 176.5027 205 A 4.3741 8.2382 123.6845 51.8656 19.4725 178.5980 206 T 4.4559 9.0348 113.3743 61.1115 71.3726 175.7225 207 H 4.1050 8.7143 120.0632 59.1846 29.7559 176.6247 208 E 3.8721 8.5753 121.5964 59.5541 29.2603 178.9190 209 Q 4.0076 7.5738 116.7311 59.0386 28.8174 178.5356 210 I 3.8335 7.8093 120.2042 64.0568 37.3897 178.3235 211 K 4.1738 8.2338 119.6877 59.3708 31.3850 179.6062 212 G 3.5174 7.7911 103.2890 46.3068 0.0000 174.6744 *214 L 4.1403 7.8433 121.3174 54.2557 43.4483 177.5662 215 A 4.1532 7.9519 118.4589 51.6061 18.7335 175.4792 216 H 4.3901 7.4755 115.2949 54.9416 25.9153 173.9536 *218 E 4.0695 7.9066 120.4405 55.7743 30.7108 175.3115 219 S 4.6871 8.5015 116.7250 57.1204 64.1146 175.0046 220 V 3.8863 8.3873 123.8649 61.0761 31.4801 172.2762 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 4 L 8.18 4.28 0.00 1.66 1.71 0.92 0.53 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 5 K 8.28 4.36 0.00 1.78 1.69 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.51 7.81 6 P 0.00 4.52 0.00 2.20 2.02 0.00 3.86 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 7 A 8.28 4.26 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 8 L 8.28 4.08 0.00 1.65 1.64 0.95 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.07 0.00 0.73 0.92 0.00 3.38 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 10 D 8.58 4.34 0.00 2.74 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 11 Y 7.78 4.37 0.00 3.20 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 12 L 7.75 4.26 0.00 1.80 1.87 1.02 0.99 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 13 G 8.50 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 14 N 8.25 4.83 0.00 2.95 3.03 0.00 0.00 6.75 7.06 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 15 I 7.23 4.91 1.93 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 1.26 0.61 0.96 0.00 0.00 16 R 9.10 4.87 0.00 1.84 1.82 0.00 3.10 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 17 I 8.74 4.87 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.87 0.93 0.00 0.00 18 I 9.11 4.97 1.91 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 1.24 0.81 0.91 0.00 0.00 19 L 8.97 5.25 0.00 1.53 1.54 0.83 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.41 4.80 4.52 0.00 0.00 0.00 0.00 0.00 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 21 R 8.33 4.34 0.00 1.97 2.02 0.00 3.14 0.00 0.00 3.08 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 22 T 7.60 4.23 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 1.31 0.00 0.00 23 S 9.79 4.70 0.00 3.91 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 24 H 8.48 4.89 0.00 3.20 3.13 0.00 5.60 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.26 0.00 2.38 2.11 0.00 3.66 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 26 A 8.39 3.97 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 27 N 8.02 4.21 0.00 2.97 2.82 0.00 0.00 7.05 6.72 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 28 I 7.56 3.73 1.88 0.00 0.00 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 1.42 1.06 0.80 0.00 0.00 29 G 7.92 3.54 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 0.00 30 S 8.30 4.06 0.00 3.90 3.86 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 31 A 7.77 3.80 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 32 A 7.59 4.05 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 33 R 7.96 3.98 0.00 2.02 2.03 0.00 3.08 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 1.60 1.76 0.00 34 A 7.95 4.08 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 *36 K 7.93 4.41 0.00 1.88 1.88 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.48 7.81 37 T 7.53 3.75 4.37 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0.00 *117 T 8.58 4.21 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 1.20 0.00 0.00 118 A 7.65 4.32 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 0.00 119 P 0.00 4.43 0.00 2.17 2.05 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 120 L 8.30 4.36 0.00 1.52 1.59 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 121 Q 8.69 4.86 0.00 1.85 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.95 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 122 T 8.23 4.90 4.26 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 1.26 0.00 0.00 123 P 0.00 4.22 0.00 2.24 2.19 0.00 3.68 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 2.19 2.18 0.00 124 R 7.95 4.11 0.00 1.81 2.02 0.00 3.11 0.00 0.00 3.88 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 125 D 7.95 4.52 0.00 2.81 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 0.00 126 L 7.84 4.29 0.00 1.99 1.62 0.95 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 0.00 127 V 7.90 3.56 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 0.98 0.00 0.00 0.95 0.00 0.00 128 P 0.00 4.14 0.00 2.15 2.06 0.00 3.62 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.28 0.00 129 E 8.11 3.97 0.00 1.99 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 0.00 2.34 2.37 0.00 130 L 7.71 3.93 0.00 1.90 1.67 0.91 0.39 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 0.00 131 L 8.22 3.59 0.00 1.75 1.32 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 132 Q 8.06 3.81 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 133 A 7.86 3.91 1.36 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 0.00 0.00 134 A 7.96 4.61 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 0.00 135 N 8.14 4.35 0.00 2.39 2.95 0.00 0.00 7.32 7.57 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 0.00 136 R 7.84 4.19 0.00 1.98 1.97 0.00 3.17 0.00 0.00 3.21 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 137 G 8.28 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 0.00 0.00 0.00 138 E 7.90 4.28 0.00 2.08 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 0.00 2.33 2.30 0.00 139 K 8.56 4.73 0.00 1.85 1.72 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.42 7.81 140 V 8.75 5.06 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 0.68 0.00 0.00 0.97 0.00 0.00 141 A 8.82 5.22 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 0.00 142 L 8.97 4.94 0.00 1.75 1.48 0.98 1.06 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 0.00 143 V 8.67 4.81 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 1.02 0.00 0.00 0.87 0.00 0.00 144 F 9.50 4.91 0.00 2.93 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 0.00 145 G 8.42 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 0.00 0.00 0.00 0.00 146 N 8.45 4.67 0.00 2.98 3.02 0.00 0.00 6.92 7.65 0.00 0.00 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 E 8.97 3.90 0.00 1.94 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 2.42 0.00 148 T 7.77 3.98 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 149 F 7.96 4.77 0.00 3.08 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 0.00 150 G 8.44 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 0.00 0.00 0.00 151 L 8.40 4.49 0.00 1.64 1.60 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 152 S 9.50 4.34 0.00 4.06 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 0.00 153 I 8.16 3.75 1.86 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 1.63 1.58 0.90 0.00 0.00 154 E 8.10 4.03 0.00 2.08 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 2.39 2.44 0.00 155 E 7.84 3.92 0.00 2.16 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 2.31 0.00 156 V 7.83 3.71 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 1.01 0.00 0.00 0.91 0.00 0.00 157 R 7.91 3.99 0.00 2.01 1.98 0.00 3.21 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 158 A 7.69 4.18 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 0.00 159 C 7.24 4.66 0.00 3.09 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 0.00 160 N 8.54 5.05 0.00 2.66 2.86 0.00 0.00 5.85 7.66 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 0.00 161 R 7.99 4.69 0.00 1.61 1.75 0.00 3.38 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.72 0.00 162 L 8.31 4.66 0.00 1.55 1.55 0.89 0.58 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 *164 T 8.10 4.30 4.19 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 1.17 0.00 0.00 165 I 8.06 4.49 2.10 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 1.52 0.84 1.13 0.00 0.00 166 N 8.66 4.67 0.00 2.75 2.75 0.00 0.00 6.96 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 G 7.75 4.19 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 0.00 0.00 0.00 168 N 8.90 4.51 0.00 2.93 3.13 0.00 0.00 6.68 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 0.00 169 P 0.00 4.28 0.00 2.24 2.18 0.00 3.87 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 2.03 2.02 0.00 170 D 8.45 4.64 0.00 2.86 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 0.00 171 Y 7.57 4.49 0.00 2.91 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 0.00 172 F 8.02 4.49 0.00 3.08 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 0.00 173 S 7.66 4.08 0.00 3.26 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 0.00 174 L 7.81 4.52 0.00 0.93 1.41 0.76 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 175 N 9.14 4.69 0.00 2.98 2.92 0.00 0.00 6.21 6.43 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 0.00 176 L 8.30 3.92 0.00 1.79 1.68 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 177 A 7.92 3.88 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 0.00 178 Q 8.95 3.90 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 179 A 8.30 4.08 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 0.00 180 V 7.92 3.11 1.83 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 0.79 0.00 0.00 0.11 0.00 0.00 181 Q 8.10 3.93 0.00 2.27 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 182 V 8.35 3.71 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 1.07 0.00 0.00 1.00 0.00 0.00 183 V 8.03 3.75 2.41 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 1.16 0.00 0.00 1.18 0.00 0.00 184 C 8.51 4.27 0.00 3.07 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 0.00 185 Y 8.25 4.18 0.00 3.15 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 0.00 186 E 8.38 3.63 0.00 2.21 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 0.00 2.39 2.38 0.00 187 I 7.75 3.76 2.11 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 1.45 0.59 0.99 0.00 0.00 188 F 8.39 3.99 0.00 3.22 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 0.00 189 S 8.21 4.25 0.00 3.70 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 0.00 190 Q 7.54 4.48 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.91 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 191 T 7.80 4.32 3.98 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 1.04 0.00 0.00 192 D 7.73 4.59 0.00 2.77 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 0.00 193 S 7.65 4.31 0.00 3.91 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 0.00 194 P 0.00 4.38 0.00 2.17 2.10 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 *196 T 8.27 3.94 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 *197 H 8.68 4.86 0.00 2.91 2.93 0.00 7.11 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 L 7.99 4.88 0.00 1.56 1.40 0.92 0.90 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 0.00 199 Q 8.46 4.24 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 7.00 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 200 Q 8.08 4.16 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.54 0.00 0.00 0.00 0.00 0.00 2.27 1.95 0.00 *203 H 8.42 4.61 0.00 3.17 3.31 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 A 8.46 4.32 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 0.00 205 A 8.24 4.37 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 0.00 206 T 9.03 4.46 4.37 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 1.20 0.00 0.00 207 H 8.71 4.10 0.00 3.28 3.65 0.00 5.79 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 E 8.58 3.87 0.00 2.28 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 2.30 2.36 0.00 209 Q 7.57 4.01 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 210 I 7.81 3.83 2.00 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 1.50 0.45 0.87 0.00 0.00 211 K 8.23 4.17 0.00 1.96 1.80 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.28 7.81 212 G 7.79 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *214 L 7.84 4.14 0.00 1.76 1.72 0.93 0.79 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 0.00 215 A 7.95 4.15 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 0.00 216 H 7.48 4.39 0.00 3.38 3.35 0.00 5.65 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *218 E 7.91 4.07 0.00 2.14 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 0.00 2.27 2.26 0.00 219 S 8.50 4.69 0.00 3.82 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 0.00 220 V 8.39 3.89 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 0.76 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.