NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4070 8.2649 123.5961 52.0329 19.9597 175.7383 2 N 4.7959 8.5718 116.4284 50.8878 41.1488 172.4637 3 A 4.8141 8.4086 124.4461 49.3782 23.3527 174.8991 4 F 4.1201 8.7333 121.3543 59.5883 39.5177 170.6604 5 L 3.3286 7.9011 135.0000 54.1229 41.3905 174.4023 *8 L 4.2919 8.4269 122.4019 54.5532 43.6432 177.8186 9 R 4.1501 7.6627 116.1515 54.8237 30.7589 174.5528 10 P 4.3886 0.0000 0.0000 62.0206 32.0302 176.7032 11 G 3.6291 8.1424 108.8255 46.1134 0.0000 173.6577 12 S 4.2142 7.9847 115.2783 56.8143 64.5680 174.5798 13 L 3.6818 8.3547 126.8344 56.3191 41.2364 177.5821 *15 R 4.2348 7.8973 114.5026 56.0698 31.1420 176.6037 *17 C 4.9378 8.0822 114.2274 56.5831 42.0742 173.9513 18 K 4.4420 7.5806 118.7791 56.4368 32.1292 176.7671 *21 Q 4.3451 7.9860 116.8968 55.9372 29.9509 173.9456 22 C 5.1481 9.3522 117.8073 53.4125 43.9785 174.0269 23 S 4.8555 8.5025 116.7296 57.3428 64.3295 175.0262 24 F 3.0419 8.0529 122.4176 58.1190 36.5730 174.5057 *27 A 4.0702 7.9986 127.2072 51.6994 20.7124 180.7549 28 R 4.2760 7.6977 116.9411 55.4478 29.2266 178.6209 *30 I 3.8108 7.8978 118.1833 60.7721 38.9086 177.2665 31 F 4.2936 7.7225 117.0207 57.5347 38.7815 175.0885 32 K 4.0913 7.8638 121.9642 57.0808 31.4418 175.5161 33 D 4.3988 7.6324 117.1382 54.5098 42.0722 177.4275 34 A 4.1918 8.4972 124.2872 53.5913 18.2258 179.3716 *36 R 4.1942 8.0100 119.1084 57.6446 32.0802 178.2326 37 T 3.7127 7.8084 113.9000 66.5898 68.3296 176.9664 38 K 4.3208 8.3137 120.4508 59.4983 31.8887 179.2167 39 L 3.9689 7.9164 119.1297 57.9178 42.2456 178.3052 40 F 4.2545 7.9761 120.3544 60.7159 39.4123 177.3126 41 W 4.1814 8.9290 128.7610 60.0105 30.2669 177.8991 42 I 3.6893 7.8596 112.8523 64.2225 37.2775 178.2280 43 S 4.1184 7.7402 116.5823 61.0220 62.7079 175.5463 44 Y 3.7264 7.0671 121.4227 60.3734 38.2883 177.2379 45 S 3.9475 6.9307 110.4012 57.9228 63.4957 174.4748 46 D 4.1452 7.3557 121.4466 55.3035 41.1559 174.2233 47 G 3.8174 7.8450 112.2220 44.9096 0.0000 172.3832 48 D 4.6947 8.3203 123.0109 54.0827 40.7256 176.5776 49 Q 4.2334 8.7369 126.4159 57.8209 29.0220 176.7065 50 C 4.3706 9.0536 115.8131 57.0052 40.6599 175.3747 51 A 3.8651 7.7114 123.8538 55.2863 17.9920 179.5085 52 S 4.0682 7.8782 110.0400 59.5542 63.5952 173.9362 53 S 3.6309 7.5133 115.5452 58.8988 59.9140 170.7203 54 P 4.1510 0.0000 0.0000 65.5327 31.7871 177.9011 55 C 4.4813 7.8752 116.4681 56.8062 38.3740 173.3763 56 Q 4.2151 8.9635 125.0687 54.9954 29.9211 175.1684 57 N 3.6601 9.1731 113.5559 54.5039 35.6663 174.5890 58 G 3.7673 7.8976 98.3060 46.7125 0.0000 173.9902 59 G 4.0959 7.3870 104.8984 44.9570 0.0000 174.0208 60 S 4.9567 9.2101 116.0439 56.6683 65.6621 172.7960 61 C 5.2628 8.7828 124.2732 55.2074 41.2487 172.4496 62 K 4.6614 8.9984 126.7670 54.3902 34.4305 174.7289 63 D 4.8617 8.8535 127.6386 54.6539 42.0436 174.9676 64 Q 4.5262 8.5577 122.6911 53.8734 33.1618 174.6132 65 L 4.1661 8.3880 118.6001 55.9317 41.1299 177.4221 66 Q 3.4720 9.7159 126.4429 56.3482 26.7904 173.4773 67 S 4.5893 7.5977 110.5787 58.8826 65.1192 174.1598 68 Y 5.3261 7.5352 117.6016 56.3872 41.1042 174.0172 69 I 4.6481 8.8316 119.1304 59.9226 41.4262 173.9582 70 C 5.4266 8.9659 123.9197 55.5775 37.6421 173.0302 71 F 4.6756 9.6815 122.7431 56.2083 40.4477 175.0748 72 C 5.0173 8.7663 121.4322 55.5130 41.4727 173.5121 73 L 4.5508 8.5069 119.4838 53.5804 42.3866 176.4990 74 P 4.1343 0.0000 0.0000 66.1299 31.5064 177.3747 75 A 4.2030 7.8934 118.2395 52.0458 18.1833 176.2305 76 F 5.5038 8.3108 115.5458 55.8813 43.0665 173.3771 77 E 4.5844 8.6559 118.5943 55.6795 32.0222 174.6243 78 G 4.2556 8.9948 105.5149 44.6888 0.0000 174.5056 79 R 3.9337 8.5605 120.7877 58.8919 30.1187 177.0177 80 N 5.0396 8.8164 113.6232 52.7265 39.2359 173.9853 81 C 4.4339 8.5566 113.7840 58.0287 38.2513 174.3019 82 E 3.8900 8.2753 117.4347 57.9329 30.0399 176.3987 83 T 4.2939 8.1597 118.6444 62.9167 69.3162 173.5470 84 H 4.7289 8.8313 124.3592 54.4325 28.6082 176.3056 85 K 4.0284 8.1741 125.2112 58.4463 31.9019 177.8684 86 D 4.6788 7.8360 116.9995 54.6301 41.2771 176.2984 87 D 5.0370 8.0100 119.4332 54.4698 41.2964 176.4902 88 Q 4.6141 7.9132 115.4016 55.7361 30.2798 176.2447 89 L 4.3137 7.9878 118.3941 54.7430 41.6845 175.8759 90 I 4.5924 7.0968 112.6544 59.0686 40.7635 177.5999 91 C 4.3796 9.4862 119.5982 60.3619 40.0690 176.6382 92 V 3.5503 7.7288 110.5462 62.8949 31.4126 176.1867 93 N 4.5822 7.9376 120.0340 52.7093 37.5745 174.1959 94 E 3.9599 8.7421 127.4691 57.3423 27.3115 174.3216 95 N 4.6493 8.2058 111.0299 53.8370 37.5658 173.9923 96 G 4.0464 8.7482 100.6399 45.8534 0.0000 175.2134 97 G 3.8941 8.2178 104.6629 45.6915 0.0000 173.9111 98 C 4.5806 8.2668 117.3286 55.9027 41.0531 173.8251 99 E 3.9560 8.9242 124.9813 58.4910 30.0209 176.9185 100 Q 4.3064 7.8106 112.2677 55.9480 30.8253 175.8176 101 Y 4.9728 6.1231 119.2352 57.7332 40.8907 174.6879 102 C 5.4588 8.7510 121.5699 54.9993 48.4045 173.2395 103 S 4.6797 8.9726 120.9770 56.6735 65.8418 173.7154 104 D 4.8308 8.6916 124.5557 54.8567 41.9276 176.1754 105 H 4.8095 8.3975 117.5153 54.7390 32.1099 173.9285 106 T 3.7122 8.6463 114.6563 63.2456 68.2272 172.6656 107 G 3.9913 8.3368 120.2890 46.1671 0.0000 177.3146 108 T 4.1501 7.2713 113.4644 60.3216 70.5183 173.7832 109 K 4.6594 7.5165 119.8827 55.7196 34.6600 176.6235 110 R 4.5535 8.4831 117.4075 56.2077 30.5926 175.8100 111 S 4.8951 8.9526 114.7666 56.9236 66.0044 172.4197 112 C 5.3064 8.7772 119.2004 56.1446 42.4317 172.6396 113 R 4.8376 9.0291 119.7755 55.1449 34.9079 172.9918 114 C 5.1252 8.5094 115.8902 55.2949 38.7269 173.9671 115 H 4.5264 9.3878 120.9034 55.1246 30.2555 174.3655 116 E 4.1193 8.3595 124.3621 58.2461 29.9115 177.3807 117 G 3.9673 9.6928 112.8733 45.2203 0.0000 171.8658 118 Y 5.2961 7.6555 115.0578 56.4016 42.4038 174.7487 119 S 4.8084 9.0040 115.4783 56.6357 67.7373 173.3112 120 L 4.6761 8.4873 124.9411 54.8265 42.7271 176.7318 121 L 4.4450 9.1046 126.7934 54.0056 42.8395 178.0261 122 A 4.0836 8.6375 122.5627 54.9805 18.3204 178.4133 123 D 4.3912 8.1060 113.7654 53.8790 39.6872 177.2021 124 G 3.9958 8.2327 107.8258 46.2967 0.0000 174.6082 125 V 4.4080 9.0594 112.6025 61.0648 35.2926 175.9503 126 S 5.1084 8.4324 115.4763 57.4808 65.2247 173.9249 127 C 5.6180 10.3142 119.5604 55.5539 44.6583 173.6615 128 T 4.9250 8.7950 116.5837 59.3438 70.5918 171.3160 129 P 4.3064 0.0000 0.0000 63.1767 31.7641 176.1627 130 T 4.5200 8.7560 112.5615 61.5173 69.6455 173.9113 131 V 4.4904 7.2017 114.0361 59.3314 35.8055 175.1162 132 E 3.8213 8.7020 121.6669 58.8480 29.7115 176.5845 133 Y 4.7457 7.3108 115.2103 55.0196 38.0535 173.0129 134 P 4.3547 0.0000 0.0000 61.8957 32.6109 177.0255 135 C 4.4143 8.4312 115.0343 59.6089 30.0088 174.2759 136 G 3.9704 8.8422 108.2384 45.7009 0.0000 173.4911 137 K 4.5657 7.4938 118.2555 54.4747 34.6273 176.3177 138 I 4.2755 7.9911 123.5943 59.1888 37.0672 174.7349 139 P 4.2566 0.0000 0.0000 65.7018 31.2745 178.7492 140 I 4.0249 7.7981 108.0349 62.2523 37.5550 176.0689 141 L 4.5544 7.9583 120.4354 55.3411 43.4064 176.2823 142 E 4.1742 7.8824 122.2174 56.5280 29.3936 176.3322 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 1 A 8.26 4.41 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 2 N 8.57 4.80 0.00 2.79 2.73 0.00 0.00 6.66 6.46 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 3 A 8.41 4.81 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 4 F 8.73 4.12 0.00 2.92 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 5 L 7.90 3.33 0.00 1.46 1.41 0.66 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 *8 L 8.43 4.29 0.00 1.70 1.70 0.80 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 9 R 7.66 4.15 0.00 1.75 1.81 0.00 3.18 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 10 P 0.00 4.39 0.00 1.98 1.93 0.00 3.64 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 11 G 8.14 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 12 S 7.98 4.21 0.00 3.72 3.65 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 0.00 0.00 0.00 0.00 13 L 8.35 3.68 0.00 1.37 1.44 0.72 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 *15 R 7.90 4.23 0.00 1.82 1.92 0.00 3.31 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 *17 C 8.08 4.94 0.00 3.15 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 18 K 7.58 4.44 0.00 1.74 1.89 0.00 1.88 0.00 0.00 1.90 0.00 0.00 3.11 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.69 1.60 7.81 *21 Q 7.99 4.35 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 22 C 9.35 5.15 0.00 3.14 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 23 S 8.50 4.86 0.00 4.11 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 24 F 8.05 3.04 0.00 2.01 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *27 A 8.00 4.07 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.70 4.28 0.00 1.28 1.66 0.00 3.26 0.00 0.00 3.23 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 *30 I 7.90 3.81 1.19 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.39 0.18 0.00 0.00 31 F 7.72 4.29 0.00 2.95 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 32 K 7.86 4.09 0.00 1.90 1.88 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.30 7.81 33 D 7.63 4.40 0.00 2.77 2.57 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 34 A 8.50 4.19 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 *36 R 8.01 4.19 0.00 1.92 1.93 0.00 3.19 0.00 0.00 3.41 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 37 T 7.81 3.71 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 0.69 0.00 0.00 38 K 8.31 4.32 0.00 1.90 1.98 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.66 1.76 7.81 39 L 7.92 3.97 0.00 1.62 1.82 0.93 0.68 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 40 F 7.98 4.25 0.00 2.56 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 41 W 8.93 4.18 0.00 3.88 3.35 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 42 I 7.86 3.69 1.87 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 1.81 0.67 1.02 0.00 0.00 43 S 7.74 4.12 0.00 3.74 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 44 Y 7.07 3.73 0.00 1.76 2.24 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 45 S 6.93 3.95 0.00 3.50 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 46 D 7.36 4.15 0.00 2.82 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.84 3.82 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 0.00 0.00 0.00 48 D 8.32 4.69 0.00 2.71 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 49 Q 8.74 4.23 0.00 2.36 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.72 0.00 0.00 0.00 0.00 0.00 2.57 2.43 0.00 50 C 9.05 4.37 0.00 3.29 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 51 A 7.71 3.87 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 52 S 7.88 4.07 0.00 3.74 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 53 S 7.51 3.63 0.00 3.98 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 54 P 0.00 4.15 0.00 1.77 1.75 0.00 3.47 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.57 0.00 55 C 7.88 4.48 0.00 2.96 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 8.96 4.22 0.00 2.06 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.26 6.27 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 57 N 9.17 3.66 0.00 1.63 1.42 0.00 0.00 6.88 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 58 G 7.90 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 0.00 0.00 0.00 59 G 7.39 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 60 S 9.21 4.96 0.00 3.71 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 61 C 8.78 5.26 0.00 2.95 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 62 K 9.00 4.66 0.00 2.08 1.85 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.59 7.81 63 D 8.85 4.86 0.00 2.84 2.56 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 64 Q 8.56 4.53 0.00 2.16 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 65 L 8.39 4.17 0.00 1.62 1.63 0.91 0.95 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 66 Q 9.72 3.47 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.86 0.00 0.00 0.00 0.00 0.00 2.54 2.41 0.00 67 S 7.60 4.59 0.00 3.83 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 68 Y 7.54 5.33 0.00 2.98 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 69 I 8.83 4.65 2.01 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 1.15 0.69 0.67 0.00 0.00 70 C 8.97 5.43 0.00 3.02 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 0.00 71 F 9.68 4.68 0.00 2.92 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 72 C 8.77 5.02 0.00 2.95 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.51 4.55 0.00 2.13 1.75 1.07 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.13 0.00 2.03 2.16 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 75 A 7.89 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 F 8.31 5.50 0.00 3.09 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 77 E 8.66 4.58 0.00 2.11 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 0.00 2.28 2.31 0.00 78 G 8.99 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 0.00 0.00 0.00 0.00 79 R 8.56 3.93 0.00 1.76 2.03 0.00 3.19 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 80 N 8.82 5.04 0.00 2.90 2.99 0.00 0.00 7.00 7.67 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 81 C 8.56 4.43 0.00 3.12 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 82 E 8.28 3.89 0.00 2.10 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 0.00 2.31 2.30 0.00 83 T 8.16 4.29 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 1.26 0.00 0.00 84 H 8.83 4.73 0.00 3.29 3.26 0.00 5.62 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.17 4.03 0.00 1.69 1.80 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.63 1.44 7.81 86 D 7.84 4.68 0.00 2.62 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 87 D 8.01 5.04 0.00 2.78 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 7.91 4.61 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.73 0.00 0.00 0.00 0.00 0.00 2.39 2.24 0.00 89 L 7.99 4.31 0.00 1.58 1.62 0.98 1.05 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 90 I 7.10 4.59 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 1.50 0.52 0.91 0.00 0.00 91 C 9.49 4.38 0.00 3.11 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 7.73 3.55 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 0.65 0.00 0.00 0.93 0.00 0.00 93 N 7.94 4.58 0.00 2.83 2.95 0.00 0.00 7.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.74 3.96 0.00 2.19 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 2.29 2.21 0.00 95 N 8.21 4.65 0.00 2.94 2.82 0.00 0.00 7.65 7.93 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 96 G 8.75 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 G 8.22 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 98 C 8.27 4.58 0.00 3.03 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 99 E 8.92 3.96 0.00 1.87 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 2.18 2.20 0.00 100 Q 7.81 4.31 0.00 1.73 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.63 0.00 0.00 0.00 0.00 0.00 1.90 2.04 0.00 101 Y 6.12 4.97 0.00 2.92 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 0.00 102 C 8.75 5.46 0.00 2.95 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 0.00 103 S 8.97 4.68 0.00 3.74 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.69 4.83 0.00 2.51 2.57 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 0.00 105 H 8.40 4.81 0.00 3.16 3.16 0.00 5.72 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 T 8.65 3.71 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 1.21 0.00 0.00 107 G 8.34 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 0.00 0.00 0.00 108 T 7.27 4.15 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 0.00 109 K 7.52 4.66 0.00 1.83 1.86 0.00 1.61 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.39 7.81 110 R 8.48 4.55 0.00 1.94 1.98 0.00 3.04 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 111 S 8.95 4.90 0.00 3.93 4.04 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 0.00 112 C 8.78 5.31 0.00 3.02 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 0.00 113 R 9.03 4.84 0.00 1.86 1.92 0.00 3.14 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 1.60 1.66 0.00 114 C 8.51 5.13 0.00 2.80 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 H 9.39 4.53 0.00 2.73 2.96 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.36 4.12 0.00 1.98 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 2.35 2.37 0.00 117 G 9.69 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 0.00 118 Y 7.66 5.30 0.00 2.88 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 0.00 119 S 9.00 4.81 0.00 3.74 3.70 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 0.00 120 L 8.49 4.68 0.00 1.65 1.59 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 121 L 9.10 4.45 0.00 1.60 1.60 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.64 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 0.00 123 D 8.11 4.39 0.00 2.78 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.23 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 0.00 0.00 0.00 125 V 9.06 4.41 2.23 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 0.80 0.00 0.00 1.01 0.00 0.00 126 S 8.43 5.11 0.00 3.83 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 0.00 127 C 10.31 5.62 0.00 2.49 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 T 8.79 4.92 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 1.23 0.00 0.00 129 P 0.00 4.31 0.00 1.81 1.63 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 130 T 8.76 4.52 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 1.21 0.00 0.00 131 V 7.20 4.49 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 0.69 0.00 0.00 0.83 0.00 0.00 132 E 8.70 3.82 0.00 1.72 1.80 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 1.47 1.62 0.00 133 Y 7.31 4.75 0.00 2.96 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 0.00 134 P 0.00 4.35 0.00 1.67 1.63 0.00 3.70 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.70 0.00 135 C 8.43 4.41 0.00 3.12 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 0.00 136 G 8.84 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 0.00 137 K 7.49 4.57 0.00 1.80 1.75 0.00 1.90 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.59 7.81 138 I 7.99 4.28 1.89 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 1.43 0.77 0.93 0.00 0.00 139 P 0.00 4.26 0.00 2.27 2.33 0.00 3.65 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 140 I 7.80 4.02 1.89 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 1.43 0.54 0.93 0.00 0.00 141 L 7.96 4.55 0.00 1.76 1.74 0.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 142 E 7.88 4.17 0.00 1.93 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 2.55 2.41 0.00 * Residues marked with a * may have inaccurate shift predictions.