NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 52 H 4.7990 8.4449 117.8387 55.6134 30.1909 172.3455 53 L 4.4064 8.3691 122.9470 53.1024 43.2256 175.2969 54 I 4.2176 8.6356 123.5004 58.3887 39.4229 173.1045 55 P 3.2818 0.0000 0.0000 60.9289 31.6902 174.7800 56 P 4.5125 0.0000 0.0000 61.8021 32.0094 175.2601 57 L 3.8696 8.3977 119.9967 56.5850 42.3599 176.5350 58 N 4.5052 8.9176 124.2532 54.3222 36.0625 174.1252 59 F 5.4966 7.9027 118.1321 58.0113 41.6643 175.1040 60 S 4.2087 6.1249 121.5430 58.9307 66.3284 178.8639 *62 V 3.8429 8.7915 115.1057 62.0254 32.7190 173.8844 63 D 4.2853 7.0141 116.3299 53.2541 44.3349 173.2820 64 N 4.1294 8.5077 118.0202 57.0695 38.2991 173.6730 65 G 4.0778 8.7870 112.6423 45.2379 0.0000 172.4163 66 I 4.4394 7.1395 120.0910 60.0797 38.9137 175.4542 67 F 5.2781 8.2731 120.5931 56.0352 44.0378 173.6066 68 R 4.9522 8.1299 114.8845 55.2425 33.0910 174.6439 69 S 5.4992 7.5390 113.2574 59.2015 66.3450 174.7448 70 G 4.1914 9.3846 108.5598 45.0749 0.0000 172.7601 71 F 3.9041 8.3706 123.5837 57.5346 39.6410 174.6254 72 P 4.2165 0.0000 0.0000 62.9589 31.9242 175.2153 73 D 4.7853 8.2710 120.8520 51.8706 43.5504 176.7449 74 S 2.0000 8.2726 120.4219 61.3507 62.8530 176.3643 75 A 4.1151 7.8170 119.8746 53.3854 18.2700 177.2926 76 N 5.3305 7.7706 113.5923 53.9175 40.8088 177.7441 77 F 3.7056 7.0020 116.7511 60.1600 38.5562 177.8674 78 S 4.2180 8.2828 112.5403 61.9347 62.6681 176.0799 79 F 4.1755 8.7447 124.3827 60.8714 38.9241 176.9670 80 L 3.7077 7.9587 118.0744 58.0379 41.4867 179.4717 81 Q 4.0973 8.6033 118.1577 58.9725 28.3344 178.7297 82 T 3.7653 7.4920 116.4749 66.6912 68.5471 176.3479 83 L 3.9777 7.1280 119.1409 55.1042 42.3344 177.2431 84 G 3.9880 7.6964 106.4238 46.2121 0.0000 174.0404 85 L 4.1893 7.7656 116.7048 55.0278 42.9437 177.4895 86 R 4.5484 8.8820 122.6175 57.7918 32.1456 175.5642 87 S 5.4583 8.9135 112.0617 57.0652 67.6689 172.7664 88 I 4.8963 8.8694 119.2794 59.8822 41.7438 173.2574 89 I 4.8698 8.4683 130.7622 60.4533 38.6162 174.0628 90 Y 5.1950 9.3741 129.2625 56.4263 40.5531 175.5979 91 L 5.2220 8.0945 122.0650 53.3632 44.3121 176.0177 92 C 4.5109 6.5022 116.8623 57.5626 29.5397 172.1029 93 P 4.3416 0.0000 0.0000 65.3408 31.4970 177.0664 94 E 4.1712 8.1702 117.0613 55.9023 29.9523 174.8615 95 P 4.7239 0.0000 0.0000 62.1236 32.2369 176.1807 96 Y 4.2659 8.8645 119.8780 57.8505 38.7149 176.0346 97 P 4.5350 0.0000 0.0000 62.5786 32.4969 175.6621 98 E 4.0719 8.6581 117.4223 59.7778 29.6277 179.1776 99 S 4.2048 8.0622 113.5773 61.7794 63.0503 175.6919 100 N 4.6226 8.4714 120.4920 55.9959 38.3493 176.9341 101 L 4.2247 7.8872 120.5885 57.8159 42.1066 178.5704 102 Q 3.9165 8.2182 119.7653 59.1704 29.0105 177.9122 103 F 3.7263 8.1129 121.4546 61.3543 39.1330 176.6659 104 L 3.9406 7.7307 118.1409 58.1604 41.4600 180.0075 105 K 3.8615 7.8082 117.1441 59.6080 31.9936 179.6362 106 S 4.2319 8.4314 114.1768 60.5071 62.7786 174.8114 107 N 4.5322 7.3208 116.4177 51.4743 40.2510 174.4691 108 G 3.8749 8.0586 106.8315 46.9403 0.0000 173.8830 109 I 4.6330 7.9064 117.0475 59.3080 40.1903 177.5200 110 R 4.0332 9.0659 128.7458 55.8857 31.3765 174.6613 111 L 5.1113 8.2238 127.8294 53.4155 44.1257 175.0175 112 F 4.6985 9.2294 125.5820 55.7212 41.2608 174.5480 113 Q 4.9527 8.2594 124.2110 54.2595 31.6976 175.6609 114 F 4.8378 8.7922 123.2242 55.0212 40.1176 172.7527 115 G 3.9451 8.2105 105.6263 47.0339 0.0000 170.6405 116 I 4.6744 8.9586 127.7000 58.8681 39.7099 175.7723 117 E 4.0102 9.0332 127.0937 56.4260 30.0136 176.8204 118 G 3.9818 8.3597 111.0785 43.6699 0.0000 171.7838 119 N 5.0073 8.2589 122.4626 50.7709 41.4745 174.9019 120 K 4.3672 8.1667 119.3641 55.1604 33.7651 177.7048 121 E 3.8908 8.9209 120.4669 59.1364 29.5149 176.9165 122 P 4.2560 0.0000 0.0000 65.3307 30.9002 176.3903 123 F 4.6336 7.6914 122.6598 55.5198 39.5255 173.7712 124 V 3.9103 7.3077 125.0928 61.0283 33.0898 175.1536 125 N 4.0626 7.7674 115.6139 53.2486 40.2047 173.4104 126 I 4.0873 8.0989 127.0952 59.0463 37.2800 174.7424 127 P 4.4381 0.0000 0.0000 62.1430 31.8066 176.5319 128 D 4.9777 9.0289 123.5625 58.2783 41.1290 177.1158 129 H 4.2282 8.4371 117.9084 59.3911 29.6806 176.7470 130 K 3.9725 7.6654 120.5952 58.4202 32.2877 178.5449 131 I 4.0471 7.3841 119.8546 63.4123 37.6947 178.2159 132 R 4.2007 8.2518 116.1971 57.6702 30.2662 178.1001 *134 A 3.5130 7.9311 123.9208 51.7788 20.3426 179.5654 135 L 3.9126 7.7810 116.4856 57.8309 42.2507 179.2918 136 K 4.0509 7.6442 118.8842 59.3345 32.1086 179.1082 137 V 3.3689 7.6458 117.9268 66.1768 31.0589 177.5345 138 L 3.9046 7.8296 118.6392 58.1070 41.9618 178.2884 139 L 4.4543 7.5555 116.2087 54.9067 42.0924 177.1656 140 D 4.5570 7.8866 119.8859 52.5714 41.1173 175.8562 141 E 3.2748 8.5347 127.7505 59.3425 29.8644 180.0577 142 K 3.8969 8.0482 117.0965 59.6954 32.3791 178.0462 143 N 4.5974 8.8218 116.2542 56.3328 38.6930 175.6858 144 H 4.3028 7.6570 113.9377 55.9074 29.4315 174.2081 145 P 5.3421 0.0000 0.0000 62.9645 32.3676 175.7905 146 V 4.9601 7.9160 119.0817 64.1989 35.1513 173.3088 147 L 6.0244 8.1103 120.1831 55.4291 43.5169 175.0321 148 I 4.9074 7.5882 133.1552 60.3204 35.0885 174.9835 149 H 5.3634 8.2644 118.8906 54.3506 30.7362 175.1960 150 C 4.9801 8.1415 116.2280 58.0833 31.8907 175.5141 151 K 4.7388 9.1113 114.8843 58.1502 32.6816 178.5917 152 R 4.4806 8.1289 115.9052 54.8362 32.3495 175.7162 153 G 3.8115 8.2483 104.8799 46.9505 0.0000 174.1357 154 K 4.2781 7.8897 116.2354 57.7252 34.1025 177.6021 155 H 4.9828 7.1430 116.0528 56.5482 28.3755 177.4673 156 R 3.8619 8.1642 120.9126 60.4035 30.6212 178.3158 157 T 4.1450 7.4743 115.7560 66.1969 68.4518 176.3819 158 G 3.8756 7.5834 105.1639 48.3116 0.0000 174.8499 159 C 3.9549 8.7331 119.1212 62.9369 28.1352 176.1082 160 L 3.7710 7.5907 121.4874 58.1277 41.8908 179.2733 161 V 3.5620 8.1921 118.5632 65.4111 31.2791 178.1489 162 G 3.6736 8.1756 106.0062 47.6240 0.0000 175.7522 163 C 4.1058 8.2849 119.5518 62.0328 27.8861 176.1006 164 L 3.8140 7.8604 122.2253 58.3036 41.7472 179.0925 165 R 3.4645 6.9899 118.3282 58.0929 29.5345 179.0130 166 K 3.9571 7.5899 118.5936 59.4397 32.4913 178.5285 167 L 4.2035 7.8992 119.1309 57.9622 41.5124 179.4217 168 Q 4.2008 8.4803 114.6664 55.9165 28.6881 176.6686 169 K 4.0438 8.0709 118.3097 57.4877 30.8999 176.3251 170 W 5.1041 7.9011 131.1207 56.3380 28.0145 179.4609 171 C 4.6731 9.0637 124.2663 58.3686 32.2000 173.7616 172 L 3.4600 8.6154 126.3482 58.1192 41.1377 179.9714 173 T 3.7533 7.5286 108.7091 65.0336 68.6120 176.5948 174 S 4.0830 7.9925 116.2152 60.2182 62.4337 176.0207 175 I 4.2667 8.5049 123.2711 64.4941 37.0398 178.2037 176 F 4.6587 8.7158 119.2192 60.7528 38.5371 177.2769 177 D 4.4944 8.5864 117.2536 57.2035 41.3771 177.6984 178 E 4.2035 8.1170 119.8308 59.2616 29.8298 177.7803 179 Y 4.3136 8.1104 119.3927 61.3371 38.8096 178.5871 180 Q 3.9170 8.2941 118.2879 58.3227 28.4422 178.6683 181 R 4.0561 7.3080 115.7270 56.7291 29.7662 176.4219 182 F 4.7988 8.4323 114.6086 57.7487 45.2943 175.7243 183 A 4.0424 7.4653 121.8938 53.0716 19.8471 178.4928 184 A 3.3224 7.7560 118.8494 52.8082 16.5918 178.9852 185 A 4.1174 8.8126 119.6054 54.9683 18.3409 177.7333 186 K 4.6286 8.2795 115.4657 56.1453 33.3304 176.6078 187 A 4.3785 7.9943 121.1527 51.9393 19.4230 178.6249 188 R 5.1500 8.3570 117.4981 52.5684 33.4510 176.7773 189 V 3.4668 8.5649 121.5423 66.2180 31.6333 177.8752 190 S 4.0299 8.0943 114.1532 62.3310 62.4085 176.0004 191 D 4.2144 7.9073 119.6787 57.9668 40.6799 178.5306 192 Q 3.5094 6.8155 116.8375 58.9886 28.7784 179.3453 193 R 4.1382 8.2071 119.7552 59.3463 30.0669 178.2979 194 F 4.0772 7.9778 118.2648 59.6969 39.5780 175.9370 *196 E 4.2066 8.0401 118.6546 56.1150 31.1834 177.1433 197 I 3.8077 8.3789 118.6983 64.8573 37.4461 175.8550 198 F 3.3489 7.9745 119.9899 56.6193 39.2692 174.4294 199 D 4.4673 7.6609 128.0097 53.2551 42.3936 176.5751 200 V 4.2438 7.9206 125.9930 62.8534 31.3298 175.7248 201 S 4.5028 7.0629 109.4360 59.7591 63.6454 175.3060 202 S 4.0248 7.8226 122.2055 59.0282 62.5748 172.0908 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 52 H 8.44 4.80 0.00 3.18 3.27 0.00 5.65 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.37 4.41 0.00 1.79 1.76 1.03 0.60 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 54 I 8.64 4.22 2.02 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 1.33 0.68 0.78 0.00 0.00 55 P 0.00 3.28 0.00 1.58 0.49 0.00 3.31 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.44 0.00 56 P 0.00 4.51 0.00 2.24 2.18 0.00 3.30 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.09 0.00 57 L 8.40 3.87 0.00 1.74 1.63 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 58 N 8.92 4.51 0.00 2.99 3.00 0.00 0.00 6.76 8.13 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 59 F 7.90 5.50 0.00 3.03 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 60 S 6.12 4.21 0.00 4.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.79 3.84 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 0.66 0.00 0.00 0.77 0.00 0.00 63 D 7.01 4.29 0.00 2.50 2.34 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 64 N 8.51 4.13 0.00 2.70 2.77 0.00 0.00 7.08 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 8.79 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 I 7.14 4.44 1.62 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.40 0.75 0.00 0.00 67 F 8.27 5.28 0.00 3.28 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 68 R 8.13 4.95 0.00 1.63 1.78 0.00 2.43 0.00 0.00 2.35 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.12 0.00 69 S 7.54 5.50 0.00 4.15 4.21 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 70 G 9.38 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 71 F 8.37 3.90 0.00 3.32 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 72 P 0.00 4.22 0.00 2.25 1.98 0.00 3.36 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 73 D 8.27 4.79 0.00 2.54 2.43 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 74 S 8.27 2.00 0.00 3.72 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 75 A 7.82 4.12 1.15 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 76 N 7.77 5.33 0.00 2.60 2.77 0.00 0.00 7.19 8.78 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 77 F 7.00 3.71 0.00 2.98 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 78 S 8.28 4.22 0.00 4.08 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 79 F 8.74 4.18 0.00 3.01 3.19 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 80 L 7.96 3.71 0.00 1.90 1.83 0.91 0.91 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 81 Q 8.60 4.10 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.78 0.00 0.00 0.00 0.00 0.00 2.56 2.78 0.00 82 T 7.49 3.77 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 1.05 0.00 0.00 83 L 7.13 3.98 0.00 1.48 1.46 0.20 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 84 G 7.70 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 85 L 7.77 4.19 0.00 1.73 1.73 1.03 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 86 R 8.88 4.55 0.00 1.99 2.33 0.00 3.47 0.00 0.00 3.38 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 87 S 8.91 5.46 0.00 4.32 4.21 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 88 I 8.87 4.90 1.99 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.54 0.99 0.00 0.00 89 I 8.47 4.87 1.92 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.02 1.09 0.00 0.00 90 Y 9.37 5.19 0.00 2.86 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 91 L 8.09 5.22 0.00 1.52 1.54 0.91 0.85 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 92 C 6.50 4.51 0.00 2.75 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.34 0.00 2.19 2.16 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 94 E 8.17 4.17 0.00 2.17 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 2.36 2.47 0.00 95 P 0.00 4.72 0.00 2.14 2.08 0.00 3.79 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 2.09 2.19 0.00 96 Y 8.86 4.27 0.00 2.81 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 97 P 0.00 4.53 0.00 2.20 2.15 0.00 3.36 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.81 0.00 98 E 8.66 4.07 0.00 2.13 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 2.40 2.46 0.00 99 S 8.06 4.20 0.00 4.34 4.21 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 N 8.47 4.62 0.00 2.78 2.85 0.00 0.00 6.61 6.74 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 0.00 101 L 7.89 4.22 0.00 2.18 2.00 0.98 0.52 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 0.00 102 Q 8.22 3.92 0.00 2.36 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.51 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 103 F 8.11 3.73 0.00 2.09 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 0.00 104 L 7.73 3.94 0.00 1.86 1.68 0.48 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 105 K 7.81 3.86 0.00 1.74 1.78 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.42 7.81 106 S 8.43 4.23 0.00 3.61 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 N 7.32 4.53 0.00 2.04 2.34 0.00 0.00 6.99 7.27 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 0.00 108 G 8.06 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 0.00 0.00 0.00 109 I 7.91 4.63 1.86 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.82 0.97 0.00 0.00 110 R 9.07 4.03 0.00 1.83 1.83 0.00 2.90 0.00 0.00 2.91 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.29 0.00 111 L 8.22 5.11 0.00 1.38 1.30 0.73 0.12 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 0.00 112 F 9.23 4.70 0.00 3.07 2.86 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 0.00 113 Q 8.26 4.95 0.00 2.17 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 7.30 0.00 0.00 0.00 0.00 0.00 2.15 2.30 0.00 114 F 8.79 4.84 0.00 3.04 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 G 8.21 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 I 8.96 4.67 1.92 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.93 0.83 0.00 0.00 117 E 9.03 4.01 0.00 1.91 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 2.38 2.48 0.00 118 G 8.36 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 0.00 119 N 8.26 5.01 0.00 2.71 2.86 0.00 0.00 7.20 7.61 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 0.00 120 K 8.17 4.37 0.00 1.85 1.76 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.45 7.81 121 E 8.92 3.89 0.00 2.02 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 2.39 2.40 0.00 122 P 0.00 4.26 0.00 2.29 2.24 0.00 3.72 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 123 F 7.69 4.63 0.00 2.91 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.31 3.91 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 0.73 0.00 0.00 0.94 0.00 0.00 125 N 7.77 4.06 0.00 2.20 2.45 0.00 0.00 6.95 7.94 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 0.00 126 I 8.10 4.09 1.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.30 0.25 0.00 0.00 127 P 0.00 4.44 0.00 2.17 2.05 0.00 3.52 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 128 D 9.03 4.98 0.00 2.90 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 0.00 129 H 8.44 4.23 0.00 3.27 3.28 0.00 5.76 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 K 7.67 3.97 0.00 1.86 1.90 0.00 1.74 0.00 0.00 1.87 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.62 1.51 7.81 131 I 7.38 4.05 2.21 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.69 0.80 0.00 0.00 132 R 8.25 4.20 0.00 1.99 2.03 0.00 3.26 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 *134 A 7.93 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 7.78 3.91 0.00 1.70 1.94 0.83 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 136 K 7.64 4.05 0.00 1.71 1.82 0.00 1.76 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.63 1.59 7.81 137 V 7.65 3.37 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 -0.40 0.00 0.00 0.98 0.00 0.00 138 L 7.83 3.90 0.00 1.61 1.77 0.82 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.56 4.45 0.00 1.82 1.68 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 140 D 7.89 4.56 0.00 2.68 2.62 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 0.00 141 E 8.53 3.27 0.00 1.96 1.96 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 2.34 2.29 0.00 142 K 8.05 3.90 0.00 1.91 1.93 0.00 2.02 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.46 7.81 143 N 8.82 4.60 0.00 2.75 2.87 0.00 0.00 7.03 6.34 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 0.00 144 H 7.66 4.30 0.00 3.07 3.25 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 0.00 145 P 0.00 5.34 0.00 2.20 2.29 0.00 4.04 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.07 0.00 146 V 7.92 4.96 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 1.15 0.00 0.00 0.92 0.00 0.00 147 L 8.11 6.02 0.00 1.98 1.70 1.16 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.59 4.91 1.82 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 0.99 2.04 0.87 0.00 0.00 149 H 8.26 5.36 0.00 3.49 3.49 0.00 5.76 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 C 8.14 4.98 0.00 3.09 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.11 4.74 0.00 2.12 1.96 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.57 1.66 7.81 152 R 8.13 4.48 0.00 1.77 1.89 0.00 3.33 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 153 G 8.25 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 0.00 0.00 0.00 154 K 7.89 4.28 0.00 1.47 1.62 0.00 1.57 0.00 0.00 1.94 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.64 1.36 7.81 155 H 7.14 4.98 0.00 3.21 3.43 0.00 5.68 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 8.16 3.86 0.00 1.82 1.95 0.00 3.10 0.00 0.00 3.51 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 157 T 7.47 4.15 4.17 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 1.06 0.00 0.00 158 G 7.58 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 0.00 159 C 8.73 3.95 0.00 2.89 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 0.00 160 L 7.59 3.77 0.00 1.56 1.53 0.79 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 161 V 8.19 3.56 2.13 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 0.81 0.00 0.00 0.84 0.00 0.00 162 G 8.18 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 C 8.28 4.11 0.00 2.67 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 0.00 164 L 7.86 3.81 0.00 1.68 1.60 0.83 0.62 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 0.00 165 R 6.99 3.46 0.00 1.84 1.10 0.00 2.21 0.00 0.00 2.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.76 0.00 166 K 7.59 3.96 0.00 1.81 2.09 0.00 1.95 0.00 0.00 1.98 0.00 0.00 3.29 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.54 7.81 167 L 7.90 4.20 0.00 1.81 1.71 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 168 Q 8.48 4.20 0.00 1.96 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.35 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 169 K 8.07 4.04 0.00 1.98 1.95 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.63 7.81 170 W 7.90 5.10 0.00 3.32 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 0.00 171 C 9.06 4.67 0.00 2.87 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 0.00 172 L 8.62 3.46 0.00 1.37 0.95 0.81 0.49 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 0.00 173 T 7.53 3.75 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 1.15 0.00 0.00 174 S 7.99 4.08 0.00 3.78 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 I 8.50 4.27 2.10 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 1.95 1.58 1.16 0.00 0.00 176 F 8.72 4.66 0.00 3.28 3.12 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 0.00 177 D 8.59 4.49 0.00 2.82 2.79 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 0.00 178 E 8.12 4.20 0.00 2.27 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 2.62 2.61 0.00 179 Y 8.11 4.31 0.00 3.26 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 0.00 180 Q 8.29 3.92 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.82 0.00 0.00 0.00 0.00 0.00 2.52 2.79 0.00 181 R 7.31 4.06 0.00 1.86 1.80 0.00 2.97 0.00 0.00 3.04 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.42 0.00 182 F 8.43 4.80 0.00 3.01 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 0.00 183 A 7.47 4.04 1.05 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 0.00 184 A 7.76 3.32 1.26 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 0.00 185 A 8.81 4.12 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 0.00 186 K 8.28 4.63 0.00 1.87 1.84 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.50 7.81 187 A 7.99 4.38 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 0.00 188 R 8.36 5.15 0.00 2.25 1.95 0.00 3.07 0.00 0.00 3.08 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 189 V 8.56 3.47 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 1.12 0.00 0.00 0.92 0.00 0.00 190 S 8.09 4.03 0.00 3.80 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 0.00 191 D 7.91 4.21 0.00 2.35 2.34 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 0.00 192 Q 6.82 3.51 0.00 1.61 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.95 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 193 R 8.21 4.14 0.00 1.97 2.20 0.00 3.29 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 194 F 7.98 4.08 0.00 3.13 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 *196 E 8.04 4.21 0.00 2.21 2.30 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 2.22 2.37 0.00 197 I 8.38 3.81 1.85 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 1.16 0.90 0.82 0.00 0.00 198 F 7.97 3.35 0.00 2.53 2.79 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 0.00 199 D 7.66 4.47 0.00 2.45 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 0.00 0.00 0.00 0.00 200 V 7.92 4.24 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 0.89 0.00 0.00 0.98 0.00 0.00 201 S 7.06 4.50 0.00 3.95 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 0.00 202 S 7.82 4.02 0.00 3.91 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 * Residues marked with a * may have inaccurate shift predictions.