NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 K 4.2367 8.3149 121.7745 56.8161 32.4526 175.8724 15 H 4.4935 8.2908 125.7905 53.0295 27.7702 173.7180 16 A 4.0127 8.5973 126.3001 55.1118 19.8908 179.4153 17 G 3.7961 8.2955 104.2428 49.3466 0.0000 176.4560 18 T 4.2682 7.5755 114.0428 64.2029 67.9360 176.4840 *20 T 4.2795 7.9727 120.8985 63.6706 70.5294 176.2172 21 L 3.9871 8.2380 121.8586 58.1695 42.1687 178.5435 22 E 4.1612 8.1754 116.9819 59.5650 29.7026 178.9793 23 A 4.2480 8.0728 120.2181 55.1139 18.4376 178.6774 24 Y 4.2764 8.1326 114.2907 59.4370 38.6654 177.5583 *26 R 4.2513 7.8600 120.1206 56.3378 32.1518 177.2822 27 F 4.2422 8.5359 119.6628 61.2264 39.2748 177.3385 28 S 3.9655 8.0333 114.7106 61.4224 62.5827 176.4383 29 A 3.9591 7.9160 122.8714 55.2820 18.1975 179.7300 30 K 3.9720 8.1098 116.8482 59.4811 32.0614 179.6089 31 L 4.0253 7.8663 119.5172 57.6616 41.3134 179.5522 32 S 4.0586 7.9396 113.2868 61.3699 62.3835 175.8768 33 E 3.8965 8.2749 121.7624 58.8942 29.0667 178.6703 34 A 3.9117 7.8919 120.5319 54.8542 18.5002 178.9248 35 K 2.8275 7.7430 117.1116 59.5557 32.1816 178.1394 36 D 4.3689 7.5437 117.1690 56.4166 41.4107 176.7338 37 E 4.5113 7.9223 118.3078 55.4733 31.3225 176.2493 *39 G 3.7830 7.3700 106.1920 45.4193 0.0000 174.7620 40 T 3.8667 8.4322 116.8409 66.3698 68.4795 176.9775 41 K 3.9275 7.9803 120.8498 59.4578 32.4380 177.8678 42 E 3.9167 8.3133 119.2701 59.9713 29.3216 178.3401 43 Y 4.0706 8.2967 119.0571 60.2087 38.8737 177.3719 44 E 3.8665 8.1130 120.2706 59.3654 29.8280 179.0243 45 V 3.5933 7.8686 118.2511 65.9290 31.5640 177.7667 46 F 4.1250 8.2959 120.5217 61.4196 39.3108 177.4249 47 T 3.5709 7.9297 115.7316 66.1294 68.1109 176.9927 48 K 3.9078 7.8154 120.2416 59.4164 32.1335 179.2791 49 E 3.8874 7.9300 118.8017 59.3833 29.3753 179.1174 50 L 3.8285 7.5426 120.2671 58.0052 41.9828 178.9945 51 K 4.0279 7.6729 120.6008 58.6249 32.0500 178.8330 52 K 3.8734 8.0925 118.8733 59.4292 32.1362 178.7575 53 L 3.9998 7.9717 120.5616 58.6367 41.8465 179.2533 54 T 3.9657 8.3576 109.9909 64.7345 68.7268 176.2811 55 N 4.3622 8.7251 119.5537 56.1817 38.6180 177.2418 56 A 4.1242 8.4823 122.4759 55.0611 18.4851 179.8342 57 K 4.0365 8.0933 116.9238 59.3203 31.8842 179.6011 58 L 3.9948 7.7157 118.5184 57.4959 41.6294 178.9140 59 A 3.8973 7.8878 120.1038 54.1139 18.3656 177.5852 60 Y 4.6722 7.7653 111.1213 57.3448 39.8842 176.1245 61 G 3.8904 7.8150 109.3364 44.5727 0.0000 174.0403 62 D 4.6599 8.6260 119.8717 51.9641 41.7429 176.5192 63 A 3.9716 8.6295 120.4995 55.6041 18.2875 178.3000 64 N 4.6361 8.3306 110.4450 52.9316 38.7423 175.5575 65 G 3.8645 8.3597 106.2254 46.1430 0.0000 173.5540 66 N 4.8820 8.3374 117.1704 51.8651 39.7660 174.3182 67 I 4.4505 8.6276 123.2214 59.6568 39.1711 176.2249 68 D 4.5404 7.9939 124.3662 52.7115 39.5143 176.0084 69 Y 4.1239 7.9878 122.6510 60.5135 38.4206 178.7107 70 D 4.4138 8.2986 118.2113 56.8474 41.1228 177.2833 71 A 4.1363 7.8789 120.9928 53.9021 18.6661 177.6931 72 L 4.2248 7.1371 115.5713 53.6652 42.7959 177.4451 73 S 4.3716 8.1043 114.9625 57.6259 65.0408 173.2905 74 P 4.2304 0.0000 0.0000 65.8208 31.0792 178.5417 75 E 3.8891 8.1045 117.4403 59.3052 29.4406 178.7038 76 K 3.9710 7.8602 118.2057 59.3859 32.2780 178.4423 77 R 4.0856 7.8995 118.3291 59.3001 30.3249 177.9436 78 E 4.1432 8.3908 118.6425 59.3532 29.4773 179.5023 79 E 3.7658 7.9216 115.4663 57.2206 29.2101 178.0521 *81 K 4.1196 7.9796 120.3486 56.3476 34.0628 177.9663 82 T 3.9608 7.9939 114.4193 66.7229 68.9492 175.7055 83 V 3.7794 8.0379 121.0915 66.2993 31.7388 180.6455 84 S 4.5366 7.4832 117.4958 58.1015 61.7000 176.7221 *86 G 3.9826 8.1327 110.7148 45.4328 0.0000 175.4008 87 L 4.1291 7.7480 119.0465 56.5845 41.6975 178.6687 88 Q 4.1522 8.0678 119.9623 58.9673 28.9200 176.8134 89 P 4.3771 0.0000 0.0000 65.2107 31.4269 177.7884 90 Y 4.1526 8.0145 118.2241 60.9553 38.8648 178.2069 91 F 4.5396 7.7589 118.6505 60.6294 38.8800 177.4135 92 D 4.4771 8.5014 118.7141 57.3860 40.6812 178.7643 93 K 3.9158 8.1490 120.0450 59.5015 31.9615 178.8521 94 L 4.0219 7.7815 118.2821 57.2105 41.5262 178.1649 95 N 4.6895 7.7817 114.1359 52.2717 38.6514 175.0409 96 G 3.9296 7.8737 108.2498 47.1143 0.0000 173.3809 97 H 5.1912 8.0421 114.9338 53.0027 32.0668 174.4844 98 K 4.2076 8.2526 119.3033 56.2487 32.9964 177.0854 99 S 4.4086 8.5949 117.5626 58.5094 62.8252 175.2025 100 S 4.1109 10.2101 124.2372 61.2451 62.4472 176.4564 101 K 2.9567 7.9026 122.0902 59.3400 31.9767 178.2059 102 E 4.0527 7.7054 117.6511 58.5064 29.4862 178.6960 103 V 4.0364 7.5411 116.2446 61.0320 32.4871 175.5258 104 L 4.8878 6.7867 118.9515 52.9044 44.4355 176.7484 105 T 4.3157 8.7417 112.4374 61.1413 71.3362 175.5661 106 Q 4.0602 8.5056 120.5076 59.4089 29.0744 177.5899 107 E 4.0472 8.2144 119.1768 59.5798 29.5046 179.0515 108 E 4.2432 8.3390 118.4946 59.4897 29.3283 179.2305 109 F 4.5258 8.3264 119.9832 61.1401 39.5057 176.5579 110 D 4.3582 7.9853 116.9403 57.3182 41.3369 177.9770 111 R 3.9454 8.1160 119.1745 59.0319 29.8179 177.8264 112 Y 4.7438 8.2695 116.1021 59.0826 38.3157 177.2094 *114 E 4.0613 8.0666 118.6388 56.0623 31.7494 177.0177 115 A 4.1920 8.3107 121.8238 55.4726 18.6259 181.1771 116 L 4.2547 7.9277 114.3055 55.5632 41.2119 179.6507 *118 T 4.3165 8.0940 117.0960 64.0454 70.6931 175.8963 119 H 4.2329 8.5793 120.6730 59.2931 29.6489 176.8292 120 E 4.0079 8.5212 121.1555 59.3061 29.4755 178.8156 121 I 3.6002 7.7958 119.3052 64.5082 37.1737 178.4144 122 V 3.2938 7.6922 118.8741 65.9270 31.1092 178.1880 123 R 3.8076 7.8498 117.6362 59.1099 29.5999 179.2307 124 V 3.8094 7.0599 118.6646 65.4055 31.6102 178.0262 125 K 4.0716 7.8780 117.5730 59.0148 31.9870 178.6409 126 T 4.1723 7.9575 107.7294 60.8073 69.3707 174.7637 127 K 3.8836 7.5948 120.2599 57.4515 30.4083 174.8446 128 S 4.7398 8.0269 111.4073 56.8203 65.1774 173.6485 129 T 4.4750 8.5839 112.1964 61.4241 70.1738 175.4012 130 G 4.1393 7.0633 111.6665 45.4315 0.0000 173.6405 131 A 4.2118 8.5706 127.4515 51.8832 19.1101 176.8511 132 I 4.2818 8.3546 124.0367 60.0649 38.5411 175.4045 133 K 4.5133 8.5537 124.8776 54.7996 33.4418 178.2509 134 V 3.6315 8.5842 117.1899 64.4730 31.9681 178.0825 135 E 3.9444 8.5084 118.7461 59.4769 29.1650 178.0742 136 E 4.1848 7.8677 113.0660 56.8931 30.2905 176.8225 137 V 3.7246 7.0776 120.1580 61.7341 32.4211 174.0173 138 P 4.5424 0.0000 0.0000 62.2005 32.3566 177.2454 139 E 3.9484 8.9348 120.3397 59.6498 29.5037 179.4320 140 A 4.0969 8.0252 119.5992 54.2263 18.6432 177.1971 141 Y 4.7609 8.3464 112.3216 57.9631 40.2505 178.1315 142 K 4.0217 7.8200 118.0367 59.7002 32.2096 178.3781 143 E 4.1503 8.1356 117.4441 59.2813 29.9124 178.4694 144 R 4.1844 8.0538 117.7651 59.0618 30.1817 179.1064 145 F 4.5142 8.4036 116.9549 59.1963 39.1857 176.6494 *147 K 4.2908 8.0641 118.3502 55.9757 33.9851 178.1585 148 A 4.0719 8.1302 119.8220 55.1650 18.3759 179.0984 149 E 3.9832 8.0770 116.3277 59.6829 29.7053 179.4185 150 Q 4.2036 7.9322 117.4854 58.6510 28.8742 179.4154 151 F 4.5043 8.2529 121.7179 58.1221 39.5064 176.9929 *153 E 4.2045 8.1614 116.9459 56.2254 31.3841 177.6399 154 Y 4.0089 8.2302 117.9493 60.7110 39.1009 178.1707 155 V 3.0400 7.5556 119.0589 65.8141 31.3481 177.2776 156 D 4.2310 7.9007 117.2336 57.5471 40.7070 177.9870 157 E 3.8608 7.8536 117.9833 59.3616 29.5046 179.2910 158 K 3.9270 7.3525 117.1445 58.5717 32.3826 178.8438 159 V 4.0148 7.4614 110.8582 61.3867 31.8986 176.1216 160 R 4.2539 7.3133 121.0111 56.2526 29.6827 175.7035 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 14 K 8.31 4.24 0.00 1.71 1.78 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.47 7.81 15 H 8.29 4.49 0.00 3.37 3.24 0.00 5.89 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 16 A 8.60 4.01 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 17 G 8.30 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 18 T 7.58 4.27 4.40 0.00 0.00 0.00 0.00 0.00 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 *20 T 7.97 4.28 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 21 L 8.24 3.99 0.00 1.67 1.95 0.97 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 22 E 8.18 4.16 0.00 2.07 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 2.38 2.53 0.00 23 A 8.07 4.25 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 24 Y 8.13 4.28 0.00 3.22 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 *26 R 7.86 4.25 0.00 2.09 2.18 0.00 3.26 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 27 F 8.54 4.24 0.00 3.28 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 28 S 8.03 3.97 0.00 3.79 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 29 A 7.92 3.96 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 30 K 8.11 3.97 0.00 1.73 1.89 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.69 1.66 7.81 31 L 7.87 4.03 0.00 1.78 1.75 0.98 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 32 S 7.94 4.06 0.00 4.04 3.91 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 33 E 8.27 3.90 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 34 A 7.89 3.91 1.22 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 35 K 7.74 2.83 0.00 1.35 1.84 0.00 1.51 0.00 0.00 1.15 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.20 0.93 7.81 36 D 7.54 4.37 0.00 2.58 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 37 E 7.92 4.51 0.00 2.03 1.92 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 2.26 2.39 0.00 *39 G 7.37 3.78 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 0.00 0.00 0.00 40 T 8.43 3.87 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 1.24 0.00 0.00 41 K 7.98 3.93 0.00 1.88 1.81 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.57 7.81 42 E 8.31 3.92 0.00 2.07 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 0.00 2.34 2.38 0.00 43 Y 8.30 4.07 0.00 3.06 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.11 3.87 0.00 2.30 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 0.00 2.31 2.33 0.00 45 V 7.87 3.59 2.10 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 0.95 0.00 0.00 0.94 0.00 0.00 46 F 8.30 4.12 0.00 3.02 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 47 T 7.93 3.57 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 1.08 0.00 0.00 48 K 7.82 3.91 0.00 1.93 1.81 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.43 7.81 49 E 7.93 3.89 0.00 1.83 1.92 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 2.55 2.44 0.00 50 L 7.54 3.83 0.00 1.16 1.46 1.02 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 51 K 7.67 4.03 0.00 2.03 1.89 0.00 1.63 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.37 7.81 52 K 8.09 3.87 0.00 2.04 1.87 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.63 7.81 53 L 7.97 4.00 0.00 1.80 1.88 1.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.36 3.97 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 1.25 0.00 0.00 55 N 8.73 4.36 0.00 2.95 2.90 0.00 0.00 6.86 7.08 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 56 A 8.48 4.12 1.51 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 57 K 8.09 4.04 0.00 1.85 1.85 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.65 7.81 58 L 7.72 3.99 0.00 1.60 1.67 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.89 3.90 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 60 Y 7.77 4.67 0.00 2.98 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 61 G 7.82 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.63 4.66 0.00 2.84 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 63 A 8.63 3.97 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 64 N 8.33 4.64 0.00 2.80 2.82 0.00 0.00 6.93 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 65 G 8.36 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 0.00 0.00 0.00 66 N 8.34 4.88 0.00 2.85 2.69 0.00 0.00 6.92 7.02 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 67 I 8.63 4.45 1.05 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.42 0.31 0.00 0.00 68 D 7.99 4.54 0.00 2.60 2.49 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 69 Y 7.99 4.12 0.00 3.08 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.30 4.41 0.00 2.95 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 71 A 7.88 4.14 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 72 L 7.14 4.22 0.00 1.68 1.47 0.78 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 73 S 8.10 4.37 0.00 4.03 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 74 P 0.00 4.23 0.00 2.17 2.15 0.00 3.59 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 2.11 2.15 0.00 75 E 8.10 3.89 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 76 K 7.86 3.97 0.00 1.74 1.85 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.24 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.22 1.45 7.81 77 R 7.90 4.09 0.00 1.88 2.10 0.00 3.33 0.00 0.00 3.51 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 78 E 8.39 4.14 0.00 2.21 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 2.32 2.48 0.00 79 E 7.92 3.77 0.00 2.27 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 2.33 2.34 0.00 *81 K 7.98 4.12 0.00 1.86 1.96 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.33 7.81 82 T 7.99 3.96 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 1.23 0.00 0.00 83 V 8.04 3.78 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 1.01 0.00 0.00 0.94 0.00 0.00 84 S 7.48 4.54 0.00 4.10 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 *86 G 8.13 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 0.00 0.00 0.00 0.00 87 L 7.75 4.13 0.00 1.64 0.99 0.98 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.07 4.15 0.00 2.57 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.75 2.98 0.00 89 P 0.00 4.38 0.00 2.25 2.11 0.00 3.82 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 2.15 2.19 0.00 90 Y 8.01 4.15 0.00 2.99 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 91 F 7.76 4.54 0.00 3.30 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 92 D 8.50 4.48 0.00 2.95 2.96 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 93 K 8.15 3.92 0.00 1.90 1.91 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.46 7.81 94 L 7.78 4.02 0.00 1.77 1.69 1.02 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 95 N 7.78 4.69 0.00 2.83 2.61 0.00 0.00 6.96 6.97 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 96 G 7.87 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 97 H 8.04 5.19 0.00 3.16 3.15 0.00 5.67 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.25 4.21 0.00 1.62 1.72 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.53 7.81 99 S 8.59 4.41 0.00 3.91 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 0.00 100 S 10.21 4.11 0.00 4.05 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 0.00 101 K 7.90 2.96 0.00 1.16 1.66 0.00 0.88 0.00 0.00 0.61 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.15 1.31 7.81 102 E 7.71 4.05 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 103 V 7.54 4.04 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 0.76 0.00 0.00 0.89 0.00 0.00 104 L 6.79 4.89 0.00 1.79 1.77 1.04 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 105 T 8.74 4.32 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 1.33 0.00 0.00 106 Q 8.51 4.06 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.94 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 107 E 8.21 4.05 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 108 E 8.34 4.24 0.00 2.50 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.50 0.00 109 F 8.33 4.53 0.00 3.19 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.99 4.36 0.00 2.88 2.88 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 0.00 111 R 8.12 3.95 0.00 1.70 1.88 0.00 2.51 0.00 0.00 2.70 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.71 0.00 112 Y 8.27 4.74 0.00 3.44 3.09 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 0.00 0.00 0.00 0.00 *114 E 8.07 4.06 0.00 2.15 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 2.15 2.22 0.00 115 A 8.31 4.19 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.93 4.25 0.00 1.47 1.55 0.48 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 *118 T 8.09 4.32 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 119 H 8.58 4.23 0.00 3.39 3.49 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.52 4.01 0.00 2.23 2.22 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 2.56 2.41 0.00 121 I 7.80 3.60 1.91 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.68 0.57 0.00 0.00 122 V 7.69 3.29 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 0.63 0.00 0.00 0.90 0.00 0.00 123 R 7.85 3.81 0.00 2.12 1.93 0.00 3.20 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 124 V 7.06 3.81 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 0.96 0.00 0.00 0.95 0.00 0.00 125 K 7.88 4.07 0.00 1.71 1.75 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.33 1.19 7.81 126 T 7.96 4.17 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 1.06 0.00 0.00 127 K 7.59 3.88 0.00 1.81 1.88 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.31 7.81 128 S 8.03 4.74 0.00 3.89 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 0.00 129 T 8.58 4.48 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 1.21 0.00 0.00 130 G 7.06 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 0.00 0.00 0.00 131 A 8.57 4.21 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 0.00 132 I 8.35 4.28 1.87 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 1.20 0.41 0.31 0.00 0.00 133 K 8.55 4.51 0.00 1.80 2.13 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.54 7.81 134 V 8.58 3.63 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.01 0.00 0.00 135 E 8.51 3.94 0.00 1.92 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 2.33 2.40 0.00 136 E 7.87 4.18 0.00 2.04 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 2.54 2.13 0.00 137 V 7.08 3.72 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 0.75 0.00 0.00 0.38 0.00 0.00 138 P 0.00 4.54 0.00 2.38 2.01 0.00 3.65 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.12 0.00 139 E 8.93 3.95 0.00 2.03 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 2.41 2.32 0.00 140 A 8.03 4.10 1.03 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 0.00 0.00 141 Y 8.35 4.76 0.00 3.09 2.90 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 0.00 142 K 7.82 4.02 0.00 1.84 1.97 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.65 7.81 143 E 8.14 4.15 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 144 R 8.05 4.18 0.00 2.22 2.12 0.00 3.20 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.72 0.00 145 F 8.40 4.51 0.00 3.15 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 *147 K 8.06 4.29 0.00 2.06 1.88 0.00 1.70 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.74 7.81 148 A 8.13 4.07 1.44 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 0.00 0.00 149 E 8.08 3.98 0.00 1.55 1.86 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 1.77 1.47 0.00 150 Q 7.93 4.20 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.24 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 151 F 8.25 4.50 0.00 3.29 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *153 E 8.16 4.20 0.00 2.35 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 2.30 2.46 0.00 154 Y 8.23 4.01 0.00 2.72 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 0.00 155 V 7.56 3.04 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 0.22 0.00 0.00 0.26 0.00 0.00 156 D 7.90 4.23 0.00 2.78 2.71 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 0.00 157 E 7.85 3.86 0.00 1.97 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 2.29 2.28 0.00 158 K 7.35 3.93 0.00 1.54 1.62 0.00 1.09 0.00 0.00 1.43 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.12 0.83 7.81 159 V 7.46 4.01 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 0.91 0.00 0.00 0.81 0.00 0.00 160 R 7.31 4.25 0.00 1.87 1.72 0.00 3.05 0.00 0.00 3.29 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 * Residues marked with a * may have inaccurate shift predictions.