NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 57 S 4.4257 8.1776 115.2823 57.4115 62.7442 174.2927 58 P 4.1287 0.0000 0.0000 64.3122 31.5643 175.6413 59 G 4.1783 8.9135 108.6879 46.1799 0.0000 173.4246 60 I 4.9754 7.3765 121.7619 59.5174 39.1334 174.9604 61 W 5.2559 9.2218 125.7337 54.8785 33.4817 173.8887 62 Q 5.2592 9.3886 124.0581 54.3712 31.0558 173.9794 63 L 5.2956 9.0876 128.2476 53.2044 44.5999 174.5179 64 D 4.3300 8.9599 129.4880 53.6225 46.5554 174.4349 *66 T 4.2868 8.4893 115.9662 63.0505 70.7853 172.4930 67 H 5.3381 8.4402 116.9356 54.2033 32.6319 173.4955 68 L 4.3356 8.9793 122.3750 55.2908 45.2657 175.0852 69 E 3.8944 9.8517 124.4382 57.5215 26.8904 175.6091 70 G 3.9186 8.5836 105.0576 45.5224 0.0000 173.8229 71 K 4.5975 7.9756 119.1065 54.4072 35.1189 174.6741 72 V 4.8173 7.6451 116.4708 61.2336 34.2816 174.2033 73 I 4.8934 8.4247 128.0533 59.4133 39.7745 174.6589 74 L 4.4291 8.8304 130.2924 53.8943 43.6580 175.2643 75 V 4.6904 9.1428 126.1876 61.0193 34.3642 173.7247 76 A 5.4264 9.2398 130.0862 50.2445 21.9077 175.1507 77 V 4.7654 9.1383 121.9557 61.1594 35.0350 174.0261 78 H 3.2907 8.7376 128.6311 55.2289 29.7444 175.6161 79 V 3.4792 7.7510 127.0670 66.1123 31.1355 177.5659 80 A 4.0495 7.6480 121.3056 53.8839 18.4801 177.8504 81 S 4.4414 7.7808 108.4603 57.3871 64.9778 175.4811 82 G 3.8825 8.2630 107.9110 45.2861 0.0000 172.6884 83 Y 4.4279 7.8017 121.8531 57.5184 39.7834 174.6735 84 I 5.1638 8.3904 126.4278 59.5390 40.6693 174.7804 85 E 4.8868 9.3677 123.6565 54.7215 32.8716 174.9073 86 A 5.4110 8.6862 124.1759 50.9073 22.8289 174.8196 87 E 4.8273 9.0035 117.3204 54.9537 34.6759 174.5653 88 V 4.6286 8.4718 122.8771 61.6351 31.7343 175.0106 89 I 4.7508 8.7550 121.8047 58.4870 40.0934 174.9996 90 P 4.4548 0.0000 0.0000 65.0993 31.8491 176.2901 91 A 4.6192 7.3820 119.3054 50.7923 21.9926 176.3929 92 E 4.2784 8.5606 123.0543 55.3335 27.9592 176.0058 93 T 4.8402 7.5143 113.4506 58.7574 73.5698 175.1972 94 G 3.6581 8.4794 107.6101 47.9056 0.0000 175.8477 95 Q 4.0704 8.0970 119.8935 58.9869 28.8299 178.7969 96 E 4.1133 8.1769 119.2977 59.7395 29.4558 179.5030 97 T 3.9471 8.0700 115.5818 66.6663 68.4984 176.5421 98 A 4.0653 8.5045 123.0432 55.3831 18.4528 179.0953 99 Y 4.0870 8.2903 118.1392 60.7476 38.8291 177.9332 100 F 3.9059 8.6028 121.7161 61.1052 39.4514 177.0568 101 L 4.0516 8.3749 118.8327 57.8222 41.2320 179.3210 102 L 3.9315 7.8493 119.0448 57.8721 42.2931 178.7799 103 K 3.7837 7.6693 118.3927 59.3961 32.0173 178.8744 104 L 3.6600 7.7786 120.5176 58.1425 41.7012 178.7934 105 A 4.2855 7.9739 119.1454 54.0559 18.4369 178.8515 106 G 3.7458 7.5036 102.0889 45.6087 0.0000 174.5498 107 R 4.1812 7.5248 118.3470 56.3127 31.8489 176.2702 108 W 5.0792 7.7706 115.5035 53.9512 33.2355 173.9096 109 P 4.4647 0.0000 0.0000 62.2913 29.5344 174.3452 110 V 4.1399 8.2403 127.3387 62.9834 32.2189 175.8307 111 K 4.6700 9.1900 131.6026 56.6479 34.1219 172.9281 112 T 5.8370 7.7657 108.5786 59.6531 72.5787 173.1201 113 V 5.1651 8.4267 122.3786 61.5950 34.8676 173.6844 114 H 5.3626 9.6614 127.0173 55.0939 32.9314 172.4538 115 T 4.8678 7.6201 115.2124 61.0471 70.4250 172.8727 116 D 4.6705 9.2157 123.7738 54.0236 41.1945 177.0984 117 N 4.7270 7.7171 118.8025 50.9711 39.4592 174.6570 118 G 3.5625 8.3473 114.2818 47.8851 0.0000 173.6243 119 S 4.1512 7.9527 114.0402 60.8133 63.1618 175.9390 120 N 4.3245 7.8525 118.0698 55.3530 38.2378 175.6374 121 F 5.2569 8.1244 115.9530 57.5415 39.2322 176.3197 122 T 4.3932 7.6349 111.6328 62.3144 69.6254 175.9142 123 S 4.4017 7.9134 118.7424 58.1333 65.1668 174.5843 124 T 3.9176 8.6824 121.9704 67.4478 68.2492 176.6080 125 T 3.8992 7.9064 110.7760 64.8712 68.5895 176.5583 126 V 3.6550 7.6079 119.9420 65.6507 31.6685 177.8606 127 K 4.1563 8.1018 117.0757 59.4105 32.0790 178.9061 128 A 4.4023 8.5423 121.3201 54.8536 18.2739 179.8883 129 A 4.3435 8.0168 117.1189 52.4594 18.1636 179.3120 *131 W 4.7135 7.9385 131.0626 58.8182 32.5296 177.1491 132 W 2.9266 8.8803 126.6865 60.0913 30.0325 176.7477 133 A 4.0483 8.1872 117.9574 52.2972 18.1177 177.4532 134 G 3.7060 7.4097 103.8815 46.2990 0.0000 173.8126 135 I 4.5436 7.5889 118.8503 59.8566 38.8421 175.3909 136 K 4.7810 8.6081 123.5099 54.4593 36.2785 175.0644 137 Q 4.5355 8.5960 123.2052 55.6485 30.0220 174.7026 138 E 4.3162 8.7997 128.2131 55.8167 30.1071 176.1348 139 F 4.6898 9.1358 124.5690 57.1525 39.6784 175.7728 140 G 4.0967 7.8801 111.2098 44.9764 0.0000 173.8247 *148 Q 4.3855 8.8025 121.5432 54.8375 30.6933 175.7572 149 G 3.7478 8.1526 107.0804 48.3339 0.0000 176.7550 150 V 3.6667 7.6730 121.6184 65.8885 31.6042 180.1854 151 I 3.9476 7.6614 120.4210 64.1601 36.8324 178.3252 152 E 4.0507 8.0361 120.7786 60.0995 29.4608 180.1579 153 S 4.3366 7.9495 118.4920 62.9606 62.3271 178.4042 154 M 4.3899 7.7759 119.6346 58.4785 31.8926 178.4574 155 N 4.3603 7.9503 116.6968 56.1573 38.6540 177.6985 156 K 4.0397 7.7552 118.6184 59.2176 32.0814 179.0887 157 E 3.9473 7.8559 118.5940 58.8826 29.4667 178.7051 158 L 3.9435 7.9612 120.7351 58.0295 42.1316 179.0714 159 K 4.1053 8.1971 118.4091 58.9362 31.8602 179.4301 160 K 3.9177 8.3021 120.5544 59.6689 32.2456 178.9106 161 I 4.0026 7.8908 121.6398 63.8473 36.8605 178.3850 162 I 3.7932 8.5152 121.0697 64.4378 36.7400 178.5558 163 G 3.6914 8.1356 105.4650 48.1258 0.0000 175.4543 164 Q 4.1918 8.2967 120.2857 57.8489 28.7123 178.1079 165 V 4.2977 7.5713 111.2628 60.8696 31.9501 177.4816 166 R 3.9036 7.8689 124.0130 60.2340 29.9817 178.1232 167 D 4.8206 8.0219 113.1497 53.7533 39.7140 178.6648 168 Q 4.4676 8.3362 117.2654 56.8207 29.2234 175.2300 169 A 4.6469 7.2746 118.4822 50.5902 22.5316 176.4820 170 E 3.9661 8.7866 121.0510 59.3783 30.2664 177.6138 171 H 4.8160 7.7200 115.8134 54.4049 31.3504 175.9644 172 L 4.0036 8.5259 125.8969 58.2057 42.0746 179.5303 173 K 3.9719 8.0891 118.3193 60.2181 32.3993 179.2146 174 T 3.8350 7.8975 116.0788 66.5335 68.4902 176.3498 175 A 4.0163 7.9308 122.4681 54.9976 18.2350 179.8292 176 V 3.5324 8.1244 117.1483 66.5067 31.7073 178.4320 177 Q 4.0960 8.0377 116.8442 58.8433 28.4011 178.5259 178 M 4.0430 8.2627 120.0560 58.1520 31.8812 178.5352 179 A 4.0338 8.2550 121.3408 54.9233 18.4638 179.8334 180 V 3.5404 8.0906 116.9880 66.1427 31.5954 177.8627 181 F 4.0893 8.3481 120.3577 61.5288 38.9496 177.2559 182 I 3.9092 8.1201 118.3140 64.6290 37.1625 177.3283 183 H 4.2040 8.6400 119.5469 59.7234 29.6062 177.0068 184 N 4.3924 8.4969 117.7458 55.3740 38.1580 176.7386 185 K 4.3314 7.4645 117.4926 55.3769 33.0229 176.6463 186 K 4.0389 7.3452 122.4342 56.1971 32.3919 175.6998 187 R 4.5267 8.4591 125.9428 55.9451 31.3007 176.8129 188 K 4.4490 8.3384 123.4924 53.1308 33.3360 175.7397 189 G 3.6268 8.2272 120.5186 45.7377 0.0000 173.8516 *193 G 4.1504 8.6595 109.5902 45.1142 0.0000 170.8931 194 Y 4.3912 7.2539 118.4951 57.4552 39.7012 175.7898 195 S 5.3859 9.4370 118.4236 56.6081 65.8862 175.1034 196 A 4.1904 8.4668 123.7051 55.2236 17.8684 180.1028 197 G 3.7111 8.4274 104.3406 48.1901 0.0000 175.7170 198 E 3.9960 8.3531 121.5018 59.1519 29.3965 179.8112 199 R 3.8460 8.2598 118.2554 59.1618 30.0405 178.9560 200 I 3.4467 7.9964 118.9063 63.9802 37.7514 178.4395 201 V 3.7346 7.4711 113.4443 64.1684 31.2665 178.0571 202 D 4.2304 7.9822 117.8635 57.3029 41.0452 178.2854 203 I 3.6517 7.9504 120.5928 64.5907 37.0748 178.5714 204 I 3.7385 8.1066 120.6526 64.2995 36.8109 178.4122 205 A 3.9868 8.3680 122.0156 55.4361 17.9722 179.8069 206 T 3.7947 8.0129 113.6618 66.8144 68.5980 176.0259 207 D 4.4607 7.9999 118.8897 57.2375 41.2914 177.9753 208 I 3.8549 7.7513 119.5644 64.2178 38.4645 178.0069 209 Q 4.3022 7.6006 120.3369 55.9103 25.4730 177.0141 210 T 3.6702 7.6166 115.5135 61.1504 68.3783 173.5993 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 57 S 8.18 4.43 0.00 3.86 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 58 P 0.00 4.13 0.00 2.35 2.18 0.00 3.81 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 2.04 0.00 59 G 8.91 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.38 4.98 1.81 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 1.40 0.74 0.94 0.00 0.00 61 W 9.22 5.26 0.00 3.32 3.22 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 62 Q 9.39 5.26 0.00 2.18 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 63 L 9.09 5.30 0.00 1.81 1.72 0.74 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.96 4.33 0.00 2.53 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 0.00 0.00 0.00 *66 T 8.49 4.29 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 1.18 0.00 0.00 67 H 8.44 5.34 0.00 2.96 3.20 0.00 5.92 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.98 4.34 0.00 1.70 1.46 0.93 0.88 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 69 E 9.85 3.89 0.00 2.17 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 2.22 2.29 0.00 70 G 8.58 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 71 K 7.98 4.60 0.00 1.90 1.72 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.52 7.81 72 V 7.65 4.82 2.21 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 0.90 0.00 0.00 0.94 0.00 0.00 73 I 8.42 4.89 1.83 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 1.11 0.78 0.90 0.00 0.00 74 L 8.83 4.43 0.00 1.53 1.21 0.52 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 75 V 9.14 4.69 2.05 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 0.98 0.00 0.00 0.95 0.00 0.00 76 A 9.24 5.43 1.70 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 0.00 0.00 77 V 9.14 4.77 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 0.89 0.00 0.00 0.95 0.00 0.00 78 H 8.74 3.29 0.00 1.40 2.51 0.00 5.65 0.00 0.00 0.00 0.00 6.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.75 3.48 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 0.67 0.00 0.00 0.91 0.00 0.00 80 A 7.65 4.05 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 81 S 7.78 4.44 0.00 3.92 3.87 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 82 G 8.26 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 83 Y 7.80 4.43 0.00 2.94 2.50 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 84 I 8.39 5.16 1.76 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.89 0.96 0.00 0.00 85 E 9.37 4.89 0.00 2.12 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 2.44 2.72 0.00 86 A 8.69 5.41 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 87 E 9.00 4.83 0.00 2.10 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 2.56 2.68 0.00 88 V 8.47 4.63 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 0.82 0.00 0.00 0.95 0.00 0.00 89 I 8.76 4.75 1.90 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 1.35 0.77 0.98 0.00 0.00 90 P 0.00 4.45 0.00 2.20 2.22 0.00 4.01 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 2.09 1.96 0.00 91 A 7.38 4.62 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 92 E 8.56 4.28 0.00 1.96 1.91 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 2.28 2.26 0.00 93 T 7.51 4.84 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 1.22 0.00 0.00 94 G 8.48 3.66 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 0.00 0.00 0.00 95 Q 8.10 4.07 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 96 E 8.18 4.11 0.00 2.19 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 2.36 2.71 0.00 97 T 8.07 3.95 4.50 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 1.43 0.00 0.00 98 A 8.50 4.07 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 8.29 4.09 0.00 3.13 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 F 8.60 3.91 0.00 3.27 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 0.00 101 L 8.37 4.05 0.00 1.91 1.71 0.86 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 102 L 7.85 3.93 0.00 1.60 1.72 0.87 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 103 K 7.67 3.78 0.00 1.51 1.47 0.00 1.46 0.00 0.00 1.20 0.00 0.00 2.42 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.92 0.68 7.81 104 L 7.78 3.66 0.00 1.26 1.53 0.41 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.97 4.29 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 0.00 106 G 7.50 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 0.00 107 R 7.52 4.18 0.00 1.74 1.64 0.00 3.10 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.45 0.00 108 W 7.77 5.08 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 0.00 109 P 0.00 4.46 0.00 2.33 2.30 0.00 4.18 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.08 0.00 110 V 8.24 4.14 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 0.79 0.00 0.00 0.62 0.00 0.00 111 K 9.19 4.67 0.00 1.46 1.77 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.29 1.23 7.81 112 T 7.77 5.84 4.35 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 1.32 0.00 0.00 113 V 8.43 5.17 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 1.36 0.00 0.00 1.00 0.00 0.00 114 H 9.66 5.36 0.00 3.20 3.30 0.00 5.63 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 0.00 115 T 7.62 4.87 3.66 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 0.70 0.00 0.00 116 D 9.22 4.67 0.00 2.73 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.72 4.73 0.00 2.62 2.48 0.00 0.00 7.07 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 0.00 118 G 8.35 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 S 7.95 4.15 0.00 4.00 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 0.00 120 N 7.85 4.32 0.00 2.18 2.66 0.00 0.00 6.84 6.96 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 0.00 121 F 8.12 5.26 0.00 2.97 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 0.00 122 T 7.63 4.39 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 1.26 0.00 0.00 123 S 7.91 4.40 0.00 4.11 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 0.00 124 T 8.68 3.92 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 1.20 0.00 0.00 125 T 7.91 3.90 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 1.23 0.00 0.00 126 V 7.61 3.65 2.19 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 0.91 0.00 0.00 1.08 0.00 0.00 127 K 8.10 4.16 0.00 2.03 1.91 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.60 7.81 128 A 8.54 4.40 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.02 4.34 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 *131 W 7.94 4.71 0.00 3.43 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 W 8.88 2.93 0.00 3.32 3.26 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 0.00 133 A 8.19 4.05 1.40 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 0.00 0.00 134 G 7.41 3.71 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 0.00 135 I 7.59 4.54 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.61 0.87 0.00 0.00 136 K 8.61 4.78 0.00 1.72 1.76 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.54 7.81 137 Q 8.60 4.54 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.92 0.00 0.00 0.00 0.00 0.00 1.57 2.37 0.00 138 E 8.80 4.32 0.00 2.05 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 2.34 2.37 0.00 139 F 9.14 4.69 0.00 3.15 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 0.00 140 G 7.88 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 0.00 0.00 0.00 *148 Q 8.80 4.39 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.86 0.00 0.00 0.00 0.00 0.00 2.26 1.94 0.00 149 G 8.15 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 0.00 150 V 7.67 3.67 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 0.85 0.00 0.00 0.93 0.00 0.00 151 I 7.66 3.95 1.87 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 1.63 1.15 0.92 0.00 0.00 152 E 8.04 4.05 0.00 2.05 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 2.32 0.00 153 S 7.95 4.34 0.00 3.68 3.87 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 0.00 154 M 7.78 4.39 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.66 0.00 155 N 7.95 4.36 0.00 2.75 2.84 0.00 0.00 6.99 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 K 7.76 4.04 0.00 1.81 1.85 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.58 7.81 157 E 7.86 3.95 0.00 2.32 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 0.00 2.33 2.34 0.00 158 L 7.96 3.94 0.00 1.91 1.77 0.91 0.52 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 0.00 159 K 8.20 4.11 0.00 1.85 1.84 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.44 7.81 160 K 8.30 3.92 0.00 1.88 1.96 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 161 I 7.89 4.00 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 1.57 1.35 0.95 0.00 0.00 162 I 8.52 3.79 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.92 0.00 0.00 163 G 8.14 3.69 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 0.00 0.00 0.00 164 Q 8.30 4.19 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 165 V 7.57 4.30 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 0.76 0.00 0.00 0.99 0.00 0.00 166 R 7.87 3.90 0.00 2.01 1.94 0.00 3.14 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 167 D 8.02 4.82 0.00 2.74 2.53 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 0.00 168 Q 8.34 4.47 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 169 A 7.27 4.65 1.19 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 0.00 170 E 8.79 3.97 0.00 1.83 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 0.00 1.96 2.22 0.00 171 H 7.72 4.82 0.00 3.21 3.17 0.00 5.68 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 0.00 172 L 8.53 4.00 0.00 1.94 1.69 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 173 K 8.09 3.97 0.00 2.04 2.08 0.00 1.54 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.56 7.81 174 T 7.90 3.84 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 1.21 0.00 0.00 175 A 7.93 4.02 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 0.00 176 V 8.12 3.53 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 1.13 0.00 0.00 1.02 0.00 0.00 177 Q 8.04 4.10 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.65 2.59 0.00 178 M 8.26 4.04 0.00 2.03 2.27 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.42 0.00 179 A 8.25 4.03 1.40 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 0.00 0.00 180 V 8.09 3.54 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.99 0.00 0.00 181 F 8.35 4.09 0.00 3.22 3.25 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 0.00 182 I 8.12 3.91 2.11 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.97 0.98 0.00 0.00 183 H 8.64 4.20 0.00 3.17 3.53 0.00 5.58 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 N 8.50 4.39 0.00 2.78 2.89 0.00 0.00 7.04 8.37 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 0.00 185 K 7.46 4.33 0.00 1.65 1.73 0.00 0.63 0.00 0.00 1.27 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.12 7.81 186 K 7.35 4.04 0.00 1.94 1.74 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.41 7.81 187 R 8.46 4.53 0.00 1.69 2.07 0.00 3.15 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.65 0.00 188 K 8.34 4.45 0.00 1.70 1.71 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.50 7.81 189 G 8.23 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.66 4.15 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 0.00 0.00 0.00 194 Y 7.25 4.39 0.00 3.15 2.99 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 0.00 195 S 9.44 5.39 0.00 4.17 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 0.00 196 A 8.47 4.19 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 0.00 197 G 8.43 3.71 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 0.00 198 E 8.35 4.00 0.00 2.38 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 2.38 2.42 0.00 199 R 8.26 3.85 0.00 1.94 1.92 0.00 3.12 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 200 I 8.00 3.45 1.32 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 0.66 0.76 0.11 0.00 0.00 201 V 7.47 3.73 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 0.92 0.00 0.00 1.02 0.00 0.00 202 D 7.98 4.23 0.00 2.74 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 0.00 203 I 7.95 3.65 1.86 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 1.48 0.43 0.89 0.00 0.00 204 I 8.11 3.74 2.01 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.18 1.02 0.00 0.00 205 A 8.37 3.99 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 0.00 206 T 8.01 3.79 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 0.00 207 D 8.00 4.46 0.00 2.77 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 0.00 208 I 7.75 3.85 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 1.53 0.82 0.90 0.00 0.00 209 Q 7.60 4.30 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 5.66 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 210 T 7.62 3.67 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 * Residues marked with a * may have inaccurate shift predictions.