NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 E 4.4434 8.3033 116.7690 55.6773 31.5668 174.1186 20 E 5.0210 8.6515 122.4214 53.4965 32.3058 173.4649 21 A 4.7954 9.0633 124.2697 50.7479 24.1550 174.3596 22 S 5.0258 8.4182 113.0827 56.2293 65.2607 175.3624 23 S 2.0000 8.5470 120.7530 60.3477 62.9131 176.3542 24 T 3.9699 7.1680 116.7764 65.2437 68.4892 175.2288 25 G 3.9200 7.4715 110.2458 44.7995 0.0000 173.5606 26 R 4.1580 8.4189 119.0061 58.1565 30.3332 176.4526 27 N 4.8341 8.1341 113.4409 52.4810 37.5657 174.5081 28 F 4.6329 8.2156 121.5444 58.6079 40.1423 174.6167 29 N 4.5585 8.4026 126.9948 50.8616 38.6466 174.4696 30 V 3.0868 7.6091 124.0625 65.5395 31.6726 176.5807 31 E 3.8405 8.0834 118.3318 59.2483 29.0820 178.2162 32 K 4.1706 7.6104 116.1456 57.2483 32.1267 177.8504 33 I 4.6575 7.6178 113.0175 59.7982 38.5055 175.3101 34 N 4.3590 7.3021 119.4434 55.4375 39.5634 173.5967 35 G 3.6595 9.0049 109.4298 43.6557 0.0000 172.0329 36 E 4.4942 8.1863 119.5176 56.4039 29.9117 176.7702 37 W 5.4384 8.7946 124.7071 56.0380 34.8017 173.2154 38 H 5.3611 9.2508 116.2612 53.9145 32.9631 173.2728 39 T 4.4547 8.9611 119.0592 63.9968 68.8846 173.6165 40 I 4.3487 8.7606 126.5666 62.4980 39.5224 175.6956 41 I 5.0359 7.0132 121.0606 59.3964 41.5681 174.1124 42 L 5.2795 8.7501 124.4127 53.0713 45.7064 175.4454 43 A 5.3563 8.9822 122.4058 50.2939 22.9091 175.0158 44 S 4.9042 8.3324 113.3467 57.1466 65.1503 173.7395 45 D 4.4116 8.7346 123.9930 56.6246 41.8651 176.4123 46 K 4.3120 7.9904 120.1429 53.8457 32.2150 176.2333 47 R 3.8592 8.4091 125.2924 59.0667 29.8858 178.5488 48 E 4.0275 8.0647 115.1771 58.8894 29.8591 178.9555 49 K 4.0793 7.9132 118.9815 58.3359 32.1327 178.1270 50 I 4.3324 7.4351 117.2885 60.8603 37.9686 175.3677 51 E 4.3849 7.9320 121.0000 55.5271 30.6882 177.7433 52 D 4.3965 8.3234 121.6959 58.3742 40.7358 179.8786 53 N 4.9941 8.0276 113.3344 51.7839 38.6819 176.5048 54 G 4.0025 8.3126 109.7670 45.7343 0.0000 175.1764 55 N 4.6443 8.8155 119.4972 53.6591 37.6209 175.3813 56 F 4.3839 8.0878 116.8255 57.5128 39.6172 176.8343 57 R 4.1614 7.5767 122.8522 54.7375 28.1860 174.0117 58 L 4.5856 7.4837 120.0410 52.2930 44.7100 176.0744 59 F 4.6001 8.8534 122.6354 55.5820 39.5138 174.8974 60 L 4.2028 9.1833 127.4050 55.3998 42.6986 177.1253 61 E 4.7208 9.5254 124.1155 56.4442 33.0741 175.7935 62 Q 5.1299 7.5406 114.5285 55.1078 32.2328 173.4719 63 I 4.9331 8.7985 121.3823 59.7827 40.8688 173.8605 64 H 5.0111 9.0890 126.8764 54.2335 32.1392 172.7208 65 V 4.2184 8.1095 125.9951 62.3707 32.3239 175.3503 66 L 4.8078 8.8891 129.7007 52.9786 44.8333 177.8474 *67 E 4.0958 8.9843 115.5467 59.3359 29.4968 177.0099 68 N 5.2843 8.1254 113.9677 52.4419 41.3375 173.6716 69 S 5.3454 8.1013 113.8864 57.5937 68.7007 172.8652 70 L 5.0512 9.1880 120.3951 53.2135 45.2836 176.1054 71 V 4.5344 8.8572 124.7574 61.6949 33.3330 174.3936 72 L 4.8639 9.1140 128.1130 52.7595 44.5657 175.3891 73 K 4.9517 8.4058 123.1557 54.7024 35.0939 175.4766 74 F 5.5663 9.5517 122.9572 56.1710 44.1291 172.9670 75 H 5.5244 9.2701 113.6338 54.6816 32.2018 172.3831 76 T 5.1810 9.0139 113.9529 60.4753 70.8629 172.7247 77 V 5.0537 8.5651 125.8057 61.8425 35.0331 175.6384 78 R 4.4761 8.8379 124.8446 55.5158 32.7459 173.5966 79 D 4.4163 9.7446 125.4843 54.7064 38.3195 174.3139 80 E 3.7109 8.0936 113.0635 56.7578 27.9668 174.1838 81 E 4.5002 8.2886 121.7317 55.2163 31.1937 174.6054 82 C 5.2201 8.5721 123.9444 58.4730 30.5989 173.2855 83 S 4.7300 8.8881 117.6685 56.5691 66.4019 173.6093 84 E 4.6030 8.9502 124.2768 56.7468 30.4083 176.2896 85 L 4.6829 8.8123 124.4051 54.1488 45.9330 174.4701 86 S 5.4160 8.7942 121.1371 57.3738 66.7641 173.0493 87 M 4.9740 9.0361 120.4279 54.0543 37.0194 174.0009 88 V 4.8872 8.4747 120.1495 61.2195 34.1851 174.3101 89 A 5.0492 9.3055 130.3242 50.6195 21.2749 175.2735 90 D 5.4629 8.9030 121.8999 52.2733 43.8596 176.3922 91 K 4.0363 8.6808 121.3894 56.9448 32.7742 177.4335 92 T 4.6023 7.6489 114.2092 60.3447 71.1352 174.0271 93 E 4.0258 8.7770 121.5777 59.1267 30.1851 177.5323 94 K 4.3348 7.6512 121.2603 52.4180 32.8767 181.2846 95 A 4.0876 8.4260 127.2143 52.8906 19.0241 177.7522 96 G 4.1149 8.8313 108.9291 46.0197 0.0000 171.9864 97 E 4.8340 7.5989 120.2941 54.2994 32.4751 174.4221 98 Y 5.1576 8.1712 123.0675 56.0361 42.1660 174.5800 99 S 5.2015 9.0524 115.5387 56.9505 67.0745 173.2493 100 V 4.8536 8.4509 119.7361 60.9345 34.9979 172.6737 101 T 4.9692 8.5884 114.4738 61.0810 69.9543 173.9036 102 Y 4.2258 9.3683 125.7700 57.5609 41.6621 173.5999 103 D 4.0763 9.6134 130.0029 55.3136 39.8690 170.4823 104 G 3.8226 7.7590 103.9980 44.1302 0.0000 170.7491 105 F 5.2337 9.1360 121.3555 56.6293 41.3481 175.3084 106 N 5.4684 8.4525 123.1231 51.4906 42.1232 173.5186 107 T 5.0288 8.4105 112.1561 59.9174 72.3211 172.7673 108 F 5.6241 9.0321 118.4745 55.8190 42.1511 173.0296 109 T 5.0932 9.1262 109.3984 59.2729 73.1405 172.8179 110 I 4.9929 8.3373 122.3349 57.6924 37.6414 174.6077 111 P 4.3272 0.0000 0.0000 65.2994 32.2299 176.6889 112 K 4.7659 7.8304 118.4787 55.7679 35.6791 174.4797 113 T 4.2351 8.5097 120.0299 60.9067 71.1163 173.2041 114 D 4.9038 6.9901 124.3238 51.9195 40.0230 176.1985 115 Y 4.3393 7.7156 123.6133 59.3280 36.8078 170.2730 116 D 4.7534 8.0734 114.2545 53.4347 40.4070 175.4030 117 N 5.1033 8.3377 115.8859 54.4734 41.3208 173.9588 118 F 5.9203 9.0237 112.2184 55.3461 42.3904 172.8979 119 L 4.6700 9.0520 120.2605 54.0917 45.3097 173.9055 120 M 5.3749 9.5991 125.8365 53.5760 34.9827 174.7173 121 A 5.0895 9.2468 124.8356 50.4225 22.9900 174.5448 122 H 5.2432 9.1844 119.0779 54.3869 33.0827 172.0468 123 L 5.3055 9.1843 127.4671 53.2593 45.9293 174.8779 124 I 4.6549 8.5942 125.2448 59.4561 40.3012 173.8616 125 N 5.2034 8.3940 126.1270 51.8144 41.3547 173.3245 126 E 5.4000 9.1046 124.4863 54.5282 33.9412 174.7948 127 K 4.6488 9.3836 123.3053 56.3451 36.2048 175.7929 128 D 4.3282 9.6262 124.4861 55.5305 38.0695 174.3545 129 G 3.9174 8.0094 102.7489 45.7399 0.0000 171.8270 130 E 4.7599 7.9061 120.7121 54.5036 31.8100 174.5933 131 T 5.7900 8.4087 119.9909 61.0495 72.7164 172.9052 132 F 5.1151 8.1556 117.3506 55.7810 41.6486 172.7398 133 Q 5.0099 8.4960 118.3211 54.4311 31.8558 174.1125 134 L 5.2656 8.7831 122.1314 53.8102 45.9871 174.9502 135 M 5.3694 9.3479 124.5882 53.6896 36.1684 174.6983 136 G 4.2437 9.2707 108.2063 44.3303 0.0000 170.8728 137 L 4.7158 7.7039 123.2570 52.8909 44.6644 174.8937 138 Y 5.2438 9.1434 123.7585 56.2068 41.9788 174.8947 139 G 4.8614 9.2631 108.2125 44.6196 0.0000 173.9131 140 R 3.7725 8.9827 120.1966 57.8923 30.3367 176.9974 141 E 4.6628 8.0169 117.2997 53.6826 32.0400 174.7502 142 P 4.4159 0.0000 0.0000 64.0037 31.4064 175.8907 143 D 4.7406 7.5023 115.5583 52.9396 44.3373 173.6203 144 L 4.9380 8.0066 122.0997 51.8592 45.8723 177.1049 145 S 4.4134 8.2779 115.0734 58.2325 64.9464 175.3889 146 S 4.1546 8.5102 117.7263 61.6768 62.7473 176.2796 147 D 4.3129 8.0212 122.0626 57.3153 40.6009 178.6514 148 I 3.6073 7.4939 120.2584 64.1060 37.0447 178.6065 149 K 3.9989 7.9847 119.4332 59.4673 31.8805 179.0233 150 E 4.0022 8.5420 119.8993 59.0633 29.6441 178.7944 151 R 3.8929 8.0328 119.0696 59.1750 30.0505 178.3381 152 F 4.1576 8.2245 120.5067 61.1393 39.4140 177.0149 153 A 3.8215 8.0277 120.4990 55.2201 18.1645 179.6784 154 Q 3.9141 8.1496 116.6490 58.9025 28.2328 178.6517 155 L 3.9574 7.6565 121.2316 58.1628 42.0455 178.7514 156 C 3.9414 7.8077 116.8556 62.6405 27.9163 175.6058 157 E 3.9714 8.0820 120.8904 59.3434 28.9894 178.5090 158 E 3.8847 7.8472 117.6447 58.9400 29.6916 177.4823 159 H 4.6387 7.6241 113.1117 55.1803 29.0883 175.7756 160 G 3.8444 8.1265 109.3391 45.5212 0.0000 173.2006 161 I 4.2664 7.6422 120.5601 59.2576 38.2916 175.9872 162 L 4.4288 8.1277 125.3429 53.4367 43.1510 177.9335 163 R 3.8673 8.6586 121.1549 60.1988 30.0443 179.8597 164 E 4.1013 8.1727 112.2924 58.0702 30.1271 180.3943 165 N 4.8990 8.3313 113.8612 53.4497 38.8121 173.5745 166 I 4.8811 7.5052 119.4995 59.6053 39.3565 175.0990 167 I 4.4326 8.8965 128.4321 59.3748 39.7119 174.3042 168 D 4.7911 8.8208 127.8600 53.5561 41.6647 175.7081 169 L 4.7426 8.9955 125.8166 54.5035 42.0744 178.4845 170 S 4.3352 8.9909 117.9696 61.1741 62.7839 175.3885 171 N 4.8911 8.1934 116.1272 51.9560 38.0029 180.0071 172 A 4.7175 8.3001 119.1246 52.6687 20.2131 176.7798 173 N 4.5172 8.2726 112.4842 52.8025 37.9488 175.5160 174 R 4.2062 7.6665 123.3508 56.6205 30.5366 175.7153 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 19 E 8.30 4.44 0.00 1.91 1.90 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 2.21 1.91 0.00 20 E 8.65 5.02 0.00 1.94 1.90 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 2.29 2.47 0.00 21 A 9.06 4.80 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 22 S 8.42 5.03 0.00 3.92 3.62 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 23 S 8.55 2.00 0.00 3.55 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 24 T 7.17 3.97 4.16 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 0.00 0.00 1.18 0.00 0.00 25 G 7.47 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 26 R 8.42 4.16 0.00 1.80 2.00 0.00 3.31 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 27 N 8.13 4.83 0.00 2.95 2.95 0.00 0.00 5.99 7.43 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 28 F 8.22 4.63 0.00 3.16 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 29 N 8.40 4.56 0.00 2.56 2.16 0.00 0.00 6.50 7.23 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 30 V 7.61 3.09 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 1.24 0.00 0.00 1.09 0.00 0.00 31 E 8.08 3.84 0.00 1.98 1.81 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 2.29 2.36 0.00 32 K 7.61 4.17 0.00 1.04 1.30 0.00 0.75 0.00 0.00 1.01 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.16 1.23 7.81 33 I 7.62 4.66 2.07 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.69 1.25 0.00 0.00 34 N 7.30 4.36 0.00 2.92 2.73 0.00 0.00 7.34 8.54 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 35 G 9.00 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 36 E 8.19 4.49 0.00 1.89 1.67 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 2.15 2.26 0.00 37 W 8.79 5.44 0.00 3.21 3.01 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 0.00 0.00 0.00 38 H 9.25 5.36 0.00 3.33 3.28 0.00 5.62 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 39 T 8.96 4.45 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 0.95 0.00 0.00 40 I 8.76 4.35 1.79 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.93 0.87 0.00 0.00 41 I 7.01 5.04 1.40 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.70 1.11 0.00 0.00 42 L 8.75 5.28 0.00 1.50 1.48 0.80 0.39 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 43 A 8.98 5.36 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 44 S 8.33 4.90 0.00 3.86 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 45 D 8.73 4.41 0.00 3.08 2.75 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 46 K 7.99 4.31 0.00 1.25 1.41 0.00 1.57 0.00 0.00 1.44 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.28 1.29 7.81 47 R 8.41 3.86 0.00 1.80 1.90 0.00 3.30 0.00 0.00 3.44 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 48 E 8.06 4.03 0.00 2.14 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 0.00 2.23 2.24 0.00 49 K 7.91 4.08 0.00 1.43 1.67 0.00 0.80 0.00 0.00 0.61 0.00 0.00 2.70 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.23 7.81 50 I 7.44 4.33 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 0.88 0.89 0.00 0.00 51 E 7.93 4.38 0.00 2.06 1.90 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 2.32 2.27 0.00 52 D 8.32 4.40 0.00 2.67 2.75 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 53 N 8.03 4.99 0.00 2.72 2.66 0.00 0.00 6.61 7.51 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 54 G 8.31 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 55 N 8.82 4.64 0.00 2.72 2.89 0.00 0.00 6.02 7.43 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 56 F 8.09 4.38 0.00 3.34 3.23 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 0.00 57 R 7.58 4.16 0.00 1.93 2.00 0.00 3.30 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.43 0.00 58 L 7.48 4.59 0.00 1.13 0.99 -0.24 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.85 4.60 0.00 2.83 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 60 L 9.18 4.20 0.00 1.76 1.66 0.19 0.15 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 61 E 9.53 4.72 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 2.29 2.34 0.00 62 Q 7.54 5.13 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 63 I 8.80 4.93 2.16 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.61 0.87 0.00 0.00 64 H 9.09 5.01 0.00 3.21 3.11 0.00 5.77 0.00 0.00 0.00 0.00 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.11 4.22 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 0.82 0.00 0.00 0.97 0.00 0.00 66 L 8.89 4.81 0.00 1.84 1.58 0.95 0.77 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 *67 E 8.98 4.10 0.00 1.98 1.90 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 2.24 1.93 0.00 68 N 8.13 5.28 0.00 2.62 2.79 0.00 0.00 6.82 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.10 5.35 0.00 3.90 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 70 L 9.19 5.05 0.00 1.34 1.42 0.78 0.12 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 71 V 8.86 4.53 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 1.00 0.00 0.00 0.93 0.00 0.00 72 L 9.11 4.86 0.00 1.51 0.92 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 82 C 8.57 5.22 0.00 2.79 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 83 S 8.89 4.73 0.00 3.76 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.95 4.60 0.00 1.89 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 2.34 2.28 0.00 85 L 8.81 4.68 0.00 1.77 1.56 0.83 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.79 5.42 0.00 3.78 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 M 9.04 4.97 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 88 V 8.47 4.89 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 0.85 0.00 0.00 0.97 0.00 0.00 89 A 9.31 5.05 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.90 5.46 0.00 2.67 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 91 K 8.68 4.04 0.00 1.54 1.51 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.80 1.40 7.81 92 T 7.65 4.60 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 1.18 0.00 0.00 93 E 8.78 4.03 0.00 1.96 2.03 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 2.29 2.28 0.00 94 K 7.65 4.33 0.00 1.65 1.68 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.32 1.24 7.81 95 A 8.43 4.09 1.23 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 0.00 0.00 0.00 96 G 8.83 4.11 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 0.00 0.00 0.00 97 E 7.60 4.83 0.00 1.93 1.75 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 2.03 2.25 0.00 98 Y 8.17 5.16 0.00 1.49 2.42 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 0.00 99 S 9.05 5.20 0.00 3.64 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 0.00 100 V 8.45 4.85 2.26 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 0.84 0.00 0.00 1.09 0.00 0.00 101 T 8.59 4.97 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 1.47 0.00 0.00 102 Y 9.37 4.23 0.00 2.86 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 0.00 103 D 9.61 4.08 0.00 2.12 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 0.00 104 G 7.76 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 0.00 105 F 9.14 5.23 0.00 3.13 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 0.00 106 N 8.45 5.47 0.00 2.73 2.65 0.00 0.00 6.14 6.66 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 0.00 107 T 8.41 5.03 4.16 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 0.00 0.00 1.07 0.00 0.00 108 F 9.03 5.62 0.00 3.11 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 0.00 109 T 9.13 5.09 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 1.23 0.00 0.00 110 I 8.34 4.99 1.65 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 1.24 1.29 0.90 0.00 0.00 111 P 0.00 4.33 0.00 1.98 2.14 0.00 3.94 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 2.10 2.12 0.00 112 K 7.83 4.77 0.00 1.94 1.81 0.00 1.91 0.00 0.00 1.95 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.64 1.79 7.81 113 T 8.51 4.24 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 0.98 0.00 0.00 114 D 6.99 4.90 0.00 2.79 2.46 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 0.00 115 Y 7.72 4.34 0.00 3.23 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 0.00 116 D 8.07 4.75 0.00 2.75 2.77 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 0.00 117 N 8.34 5.10 0.00 3.10 3.12 0.00 0.00 6.58 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 0.00 118 F 9.02 5.92 0.00 3.18 3.23 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 0.00 119 L 9.05 4.67 0.00 0.74 0.67 0.35 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 120 M 9.60 5.37 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.65 0.00 121 A 9.25 5.09 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 0.00 122 H 9.18 5.24 0.00 3.19 3.15 0.00 5.53 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 L 9.18 5.31 0.00 1.68 1.52 0.95 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 124 I 8.59 4.65 1.82 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.65 0.84 0.00 0.00 125 N 8.39 5.20 0.00 1.96 1.42 0.00 0.00 6.52 7.98 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 0.00 126 E 9.10 5.40 0.00 2.02 1.85 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 2.24 2.23 0.00 127 K 9.38 4.65 0.00 1.89 1.95 0.00 1.42 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.56 7.81 128 D 9.63 4.33 0.00 2.82 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 0.00 129 G 8.01 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 0.00 130 E 7.91 4.76 0.00 2.04 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 2.29 0.00 131 T 8.41 5.79 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 1.22 0.00 0.00 132 F 8.16 5.12 0.00 2.97 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 0.00 133 Q 8.50 5.01 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.50 2.29 0.00 134 L 8.78 5.27 0.00 1.78 1.45 1.09 1.08 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 0.00 135 M 9.35 5.37 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 136 G 9.27 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 0.00 0.00 0.00 0.00 137 L 7.70 4.72 0.00 0.27 0.59 0.83 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 138 Y 9.14 5.24 0.00 2.61 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 0.00 139 G 9.26 4.86 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 0.00 140 R 8.98 3.77 0.00 1.58 1.75 0.00 2.56 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.48 0.00 141 E 8.02 4.66 0.00 2.13 1.81 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 2.28 2.24 0.00 142 P 0.00 4.42 0.00 1.98 1.98 0.00 3.61 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.83 0.00 143 D 7.50 4.74 0.00 2.63 2.48 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 0.00 144 L 8.01 4.94 0.00 1.61 1.52 1.04 1.06 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 0.00 145 S 8.28 4.41 0.00 4.05 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 0.00 146 S 8.51 4.15 0.00 4.07 4.16 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 0.00 0.00 0.00 147 D 8.02 4.31 0.00 2.69 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 0.00 148 I 7.49 3.61 1.76 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 1.25 0.45 0.46 0.00 0.00 149 K 7.98 4.00 0.00 1.99 1.88 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.43 1.60 7.81 150 E 8.54 4.00 0.00 2.06 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 2.30 2.34 0.00 151 R 8.03 3.89 0.00 2.02 2.02 0.00 3.08 0.00 0.00 2.90 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 152 F 8.22 4.16 0.00 3.10 3.23 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 0.00 153 A 8.03 3.82 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 0.00 154 Q 8.15 3.91 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.76 0.00 0.00 0.00 0.00 0.00 2.58 2.48 0.00 155 L 7.66 3.96 0.00 1.75 1.61 0.96 0.89 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 0.00 156 C 7.81 3.94 0.00 2.93 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 0.00 157 E 8.08 3.97 0.00 1.99 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 2.27 2.29 0.00 158 E 7.85 3.88 0.00 1.98 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 0.00 2.23 2.30 0.00 159 H 7.62 4.64 0.00 3.30 3.33 0.00 5.73 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 G 8.13 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 0.00 0.00 0.00 161 I 7.64 4.27 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 1.30 0.66 0.93 0.00 0.00 162 L 8.13 4.43 0.00 1.73 1.57 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 163 R 8.66 3.87 0.00 1.86 1.99 0.00 3.12 0.00 0.00 3.37 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 164 E 8.17 4.10 0.00 1.99 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 2.23 1.90 0.00 165 N 8.33 4.90 0.00 2.87 3.00 0.00 0.00 6.66 6.61 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 0.00 166 I 7.51 4.88 2.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.74 1.02 0.00 0.00 167 I 8.90 4.43 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 1.12 1.03 0.93 0.00 0.00 168 D 8.82 4.79 0.00 2.70 2.60 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 0.00 169 L 9.00 4.74 0.00 1.83 1.88 1.04 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 170 S 8.99 4.34 0.00 3.95 4.02 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 0.00 171 N 8.19 4.89 0.00 2.74 2.70 0.00 0.00 6.42 7.46 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 0.00 172 A 8.30 4.72 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 0.00 173 N 8.27 4.52 0.00 3.16 3.38 0.00 0.00 5.99 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 0.00 174 R 7.67 4.21 0.00 1.77 1.81 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.