NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 5.0728 8.1400 114.7949 58.6571 64.4255 172.8927 4 V 3.4889 7.5692 117.0045 63.7710 31.4725 173.5784 5 V 3.4761 7.5949 118.1983 66.3525 31.7759 177.2007 6 T 3.7928 7.4860 112.7462 65.1602 66.9367 176.2450 7 K 4.0276 7.6662 119.6778 58.7501 31.9904 179.6959 8 S 4.1531 8.1401 116.0931 61.4288 62.9310 176.1235 9 I 3.5946 7.5225 122.5167 64.6111 36.6768 178.1620 10 V 3.5325 7.1597 117.1410 66.4039 31.4651 177.3257 11 N 4.4175 7.7859 114.2337 56.3933 38.4005 177.3139 12 A 3.9738 8.4875 122.4208 55.1811 18.4099 179.1638 13 D 4.2943 8.5791 116.3675 56.8740 41.0133 178.1673 14 A 4.0409 7.5649 121.8429 54.3429 18.5733 177.8762 15 E 4.3510 8.0710 112.3963 55.1796 30.3582 175.6515 16 A 3.7599 7.4554 120.6134 52.7136 16.4728 176.8956 17 R 4.7584 7.8038 117.6046 54.6982 35.0436 175.7127 18 Y 3.9473 8.5635 117.2870 57.5482 38.4828 176.4380 19 L 4.1727 8.5680 122.7605 55.4536 42.5552 178.3365 20 S 4.4127 9.3150 118.8491 57.4389 65.0413 173.6118 21 P 4.3675 0.0000 0.0000 66.3155 30.5476 178.8069 22 G 3.6679 8.0325 103.9507 47.5056 0.0000 175.0812 23 E 4.1335 7.9867 120.8877 59.3288 29.5891 179.3225 24 L 3.9968 7.8002 118.5878 58.1191 41.7572 179.3486 25 D 4.4373 8.5222 119.0677 57.3411 40.7620 179.2592 26 R 4.0268 8.3012 119.1925 59.2929 30.1817 179.0374 27 I 3.8277 7.8032 112.1664 63.5621 37.1906 178.0262 28 K 3.9776 8.1992 121.8199 59.6210 32.0163 177.9572 29 N 4.6177 7.8672 114.0946 53.5607 38.7867 175.9655 30 F 4.2087 8.0198 122.7274 59.5633 39.6786 177.5134 31 V 3.8407 7.7973 118.2413 64.9087 31.7839 177.3927 32 S 4.3497 7.7380 113.2362 59.9030 63.5685 175.1275 33 T 4.4613 7.5589 114.6249 62.2992 67.3138 175.8304 34 G 3.7158 7.5897 106.9927 48.6846 0.0000 174.9088 35 E 3.8994 8.1006 121.3596 58.8875 29.8742 178.8421 36 R 3.9683 8.0533 117.7354 59.3952 30.2483 178.1120 37 R 3.8939 7.9058 117.6960 59.6927 30.1848 178.8916 38 L 4.0225 8.0635 118.2388 57.6548 41.4978 179.6386 39 R 3.8777 8.2493 119.1060 59.4630 30.0704 178.6071 40 I 3.6779 7.7460 118.7828 64.3505 37.1180 178.0977 41 A 3.9522 8.0211 121.4899 55.1884 18.0064 179.3284 42 Q 3.8913 8.2243 117.2818 59.7266 29.2757 178.2821 43 T 4.0043 8.1332 114.0871 65.1473 67.3013 176.2576 44 L 4.0526 7.9580 121.0219 57.8584 41.4943 178.8203 45 T 4.1215 8.0642 110.9951 63.6876 67.4140 175.1180 46 E 4.4356 7.7344 118.8157 57.4407 30.3326 176.2392 47 N 4.9454 7.7403 114.5617 52.5111 39.7673 175.9982 48 R 3.9158 7.8673 118.0906 59.7533 28.8022 178.3365 49 E 4.0066 8.1187 117.4307 59.3938 29.8675 179.2717 50 R 4.0356 7.8707 117.0285 59.5720 29.9384 178.7956 51 I 3.6526 7.8572 119.7193 64.7085 36.8244 178.3417 52 V 3.5163 7.3497 117.9925 65.5986 31.7335 177.5416 53 K 3.9632 8.0508 119.7891 59.5228 32.0008 178.6761 54 Q 4.5041 8.1616 118.2657 58.8780 28.1938 178.2646 55 A 4.0287 7.6343 122.3990 54.6466 18.2763 179.8915 56 G 3.2085 7.9870 104.6333 47.6495 0.0000 175.9214 57 D 4.1789 7.6438 120.6293 57.4547 40.5760 178.4044 58 Q 3.9752 8.5578 118.8527 59.0978 28.6075 179.6301 59 L 3.9889 7.4560 120.2863 58.1684 42.1069 178.9021 60 F 4.6386 7.5794 115.3318 59.8937 38.7824 177.1198 61 Q 4.1947 7.9056 119.1523 59.0538 29.1612 177.7378 62 K 4.2242 7.6633 117.0737 58.1710 33.5346 177.5871 63 R 4.7251 8.1908 117.5561 53.6662 30.2451 174.3578 64 P 4.4189 0.0000 0.0000 65.2512 32.1349 179.0852 65 D 4.3122 8.0357 119.0270 57.0543 41.1191 178.6084 66 V 3.5453 8.0315 119.0643 65.2894 31.5365 177.0359 67 V 4.9726 7.1164 109.0574 60.2081 31.7402 175.0047 68 S 4.9940 7.3132 117.5779 55.4299 65.9238 171.0378 69 P 2.9700 0.0000 0.0000 64.4608 30.9007 176.7754 70 G 3.7884 8.4432 110.5332 45.0210 0.0000 173.0807 71 G 4.4667 6.7911 107.3996 42.3917 0.0000 172.5053 72 N 3.6130 8.1384 115.7976 57.4955 39.4907 174.1123 *75 A 4.2275 7.4837 126.8101 52.1084 18.9581 173.8627 76 Y 4.9845 7.9777 120.4534 57.3011 41.9258 175.6253 77 G 3.9093 8.3456 113.0485 45.0493 0.0000 173.7409 78 E 3.9001 8.6073 118.1325 59.4605 27.9408 178.7284 79 E 3.9037 7.9665 118.5050 60.1873 29.3742 179.0712 80 M 4.2878 7.7899 117.4769 58.7210 32.3588 178.6703 81 T 3.8826 7.9427 113.0682 65.1759 67.5145 175.7387 82 A 4.0650 8.1950 122.9313 55.5257 18.3390 179.7074 83 T 3.8935 7.5098 108.1123 64.6573 68.7933 176.5139 84 C 4.0985 7.8256 120.8531 62.4375 31.8035 175.2904 85 L 4.1236 8.0259 120.3343 57.7794 41.2292 179.1329 86 R 3.7040 7.5893 118.1789 59.9177 29.7308 177.8536 87 D 4.2344 8.3855 118.5140 57.6321 40.8334 179.0952 88 L 4.2605 8.2296 119.5682 57.6873 41.6236 178.9386 89 D 4.4363 7.9640 117.6848 57.0698 41.2972 177.5512 90 Y 4.3548 7.9601 117.6027 61.6572 37.7100 178.5055 91 Y 4.2218 7.5734 115.8658 60.6600 38.1831 178.1211 92 L 4.1281 7.8571 121.1546 58.2123 42.1416 178.8022 93 R 3.6254 7.8740 118.6090 59.5579 29.8918 178.3740 94 L 3.6369 7.4872 117.6471 56.9259 41.5097 179.7150 95 V 3.4174 7.5834 119.1146 66.0726 31.4820 178.0718 96 T 3.7661 7.6682 108.9993 64.9235 68.3649 175.7365 97 Y 4.3986 7.5015 119.7646 61.0288 37.8984 178.3826 98 G 3.9427 8.0927 106.5234 48.8887 0.0000 175.3685 99 I 2.8610 7.0107 120.8754 64.0127 37.2164 178.2930 100 V 3.6845 7.5857 117.2966 66.0939 31.5828 177.5881 101 A 4.2216 8.2392 120.5735 52.7695 18.0168 179.0637 102 G 4.0967 8.3667 104.0784 45.6092 0.0000 172.1742 103 D 4.8922 7.7811 117.7725 52.4011 44.8001 175.6014 104 V 4.2423 7.9360 119.1134 62.9365 33.1947 177.2163 105 T 3.8591 7.5916 111.4025 65.0938 68.1964 173.8540 106 P 4.2160 0.0000 0.0000 65.6298 30.7933 178.1816 107 I 3.8093 7.9316 119.0839 64.3106 37.2085 177.7691 108 E 4.0874 8.3239 118.8067 60.0649 29.1274 179.3097 109 E 4.0523 8.3900 117.7776 59.4276 29.6265 179.2271 110 I 4.2143 7.8405 119.2190 63.2401 37.6521 177.3265 111 G 4.4266 8.5824 108.9339 44.5705 0.0000 173.4225 112 L 4.7873 8.3117 118.2955 54.9242 45.4835 177.4248 113 V 4.1366 7.6810 118.4905 61.5821 28.8861 175.4644 114 G 4.0799 8.3620 113.8578 45.2217 0.0000 173.7358 115 V 3.7557 7.9659 121.0168 65.8643 31.4951 177.3412 116 R 4.0199 8.0757 117.1376 59.4538 29.7789 178.5060 117 E 4.0030 8.2616 116.4063 59.7462 29.4994 178.8448 118 M 4.1460 8.0663 117.7755 59.0698 32.4157 177.9147 119 Y 4.1916 8.6046 117.2478 61.1343 38.1418 178.3720 120 N 4.4046 8.7991 117.9658 56.4686 38.4145 177.3443 121 S 4.1623 7.6663 112.2540 60.8166 62.5751 175.2970 122 L 4.4578 7.7809 119.2136 53.8262 41.7881 177.0957 123 G 3.9256 7.5987 106.4520 46.5007 0.0000 173.2394 124 T 4.4538 7.9016 113.5864 59.4007 68.6332 173.1317 125 P 4.3496 0.0000 0.0000 63.0965 32.4348 177.5016 126 I 3.5005 8.3004 124.1825 63.5755 37.3870 176.5252 127 P 4.3903 0.0000 0.0000 65.7456 30.6837 178.3397 128 A 4.0051 7.7950 119.5812 54.9237 18.7079 179.2535 129 V 3.6300 7.4392 116.7695 65.9912 31.5732 178.0006 130 A 3.9121 8.3569 120.9551 55.3640 18.1959 179.4547 131 E 4.1201 8.2015 116.3331 59.0177 29.5452 179.6568 132 G 3.6467 8.1298 106.1619 47.3934 0.0000 175.8066 133 I 4.0447 7.6239 121.4123 63.7313 37.1886 178.2133 134 R 3.8417 7.8616 118.0757 59.2314 30.2830 178.1979 135 A 4.0849 7.8985 120.3589 55.7199 18.2509 179.4099 136 M 3.8603 7.4957 115.9972 58.6487 32.0205 178.8340 137 K 2.4800 7.5309 119.2344 58.8689 31.9599 178.0561 138 N 4.3244 7.7483 116.2819 55.3760 38.6721 177.4960 139 V 3.4774 7.5015 117.9157 65.9382 32.0202 177.5119 140 A 4.1070 8.1553 120.8251 55.4678 18.3448 179.4281 141 C 4.1038 7.7017 115.4211 62.7228 27.8856 176.3652 142 S 4.2499 7.7254 114.5270 60.4257 62.7174 175.4149 143 L 4.4305 7.6731 120.7291 53.9162 41.9712 175.9148 144 L 4.7855 6.8238 118.8402 52.3322 44.7547 176.7503 145 S 4.3985 8.2574 115.2626 57.7484 64.9374 174.8005 146 A 3.9869 8.5205 123.9557 55.5649 18.1460 179.4212 147 E 4.1683 7.9987 115.7853 59.3619 30.1008 178.5909 148 D 4.5039 7.8009 117.8095 56.6029 40.8400 178.4679 149 A 4.3104 7.8901 120.8303 54.1589 18.9831 179.1992 150 A 3.8012 7.6155 118.3895 55.1130 18.8683 178.2554 *161 E 4.3919 7.9588 116.4128 56.3181 29.9694 177.7236 162 A 4.4168 7.7538 118.8691 54.9276 18.2323 179.8235 163 G 3.9001 8.3235 104.7667 48.3163 0.0000 175.4826 164 S 4.0874 8.0651 116.8167 62.2130 62.5974 176.4335 165 Y 4.0326 8.0944 118.4940 61.2125 37.4509 178.9917 166 F 4.2758 7.8503 117.0044 60.2443 39.3017 177.7261 167 D 4.4252 8.2923 118.6856 57.2713 40.3867 178.4596 168 F 4.0347 8.3856 120.6711 61.7609 39.4110 176.7418 169 V 3.6100 7.7267 118.2810 64.9397 31.2502 177.6428 170 I 3.6342 7.9362 112.6253 64.4700 37.1879 178.1930 171 G 3.5351 7.9855 105.4398 46.4620 0.0000 174.5556 172 A 4.3361 8.4652 122.2316 52.8804 19.4892 177.0200 173 M 4.3520 7.4824 116.8067 55.8361 32.2786 176.5531 174 Q 4.0656 7.7503 123.2748 56.2105 29.9447 175.2692 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 3 S 8.14 5.07 0.00 3.89 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 4 V 7.57 3.49 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 -0.37 0.00 0.00 5 V 7.59 3.48 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 0.95 0.00 0.00 0.90 0.00 0.00 6 T 7.49 3.79 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 1.17 0.00 0.00 7 K 7.67 4.03 0.00 1.91 1.77 0.00 1.79 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.41 7.81 8 S 8.14 4.15 0.00 3.95 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 9 I 7.52 3.59 1.83 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 1.37 0.88 0.86 0.00 0.00 10 V 7.16 3.53 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 0.81 0.00 0.00 0.96 0.00 0.00 11 N 7.79 4.42 0.00 3.02 2.84 0.00 0.00 7.02 6.93 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 12 A 8.49 3.97 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 13 D 8.58 4.29 0.00 2.80 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 14 A 7.56 4.04 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 15 E 8.07 4.35 0.00 1.95 1.97 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 2.22 2.27 0.00 16 A 7.46 3.76 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.80 4.76 0.00 1.80 1.86 0.00 3.20 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 18 Y 8.56 3.95 0.00 2.96 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 19 L 8.57 4.17 0.00 1.67 1.75 0.92 0.86 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 20 S 9.31 4.41 0.00 4.03 4.01 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 21 P 0.00 4.37 0.00 2.29 2.38 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 22 G 8.03 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 23 E 7.99 4.13 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 24 L 7.80 4.00 0.00 1.92 1.75 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.52 4.44 0.00 3.01 2.76 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 26 R 8.30 4.03 0.00 2.06 2.06 0.00 3.15 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.98 0.00 27 I 7.80 3.83 1.88 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 1.60 1.00 0.87 0.00 0.00 28 K 8.20 3.98 0.00 2.06 2.06 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.50 7.81 29 N 7.87 4.62 0.00 2.95 2.84 0.00 0.00 6.82 7.29 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 30 F 8.02 4.21 0.00 3.37 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 31 V 7.80 3.84 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 0.95 0.00 0.00 1.03 0.00 0.00 32 S 7.74 4.35 0.00 4.16 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 33 T 7.56 4.46 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 1.05 0.00 0.00 34 G 7.59 3.72 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 0.00 0.00 0.00 35 E 8.10 3.90 0.00 1.97 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 2.31 2.42 0.00 36 R 8.05 3.97 0.00 1.90 2.03 0.00 3.25 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 37 R 7.91 3.89 0.00 2.04 2.00 0.00 3.26 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 38 L 8.06 4.02 0.00 1.85 1.73 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.25 3.88 0.00 1.85 2.14 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 40 I 7.75 3.68 2.04 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 1.59 0.82 0.93 0.00 0.00 41 A 8.02 3.95 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 42 Q 8.22 3.89 0.00 2.13 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 43 T 8.13 4.00 4.34 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 1.30 0.00 0.00 44 L 7.96 4.05 0.00 1.91 1.76 1.09 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.06 4.12 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 1.30 0.00 0.00 46 E 7.73 4.44 0.00 1.93 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 2.29 2.64 0.00 47 N 7.74 4.95 0.00 2.73 2.79 0.00 0.00 6.88 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 48 R 7.87 3.92 0.00 2.02 2.35 0.00 2.80 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.71 0.00 49 E 8.12 4.01 0.00 1.96 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 2.32 2.36 0.00 50 R 7.87 4.04 0.00 1.85 1.96 0.00 3.16 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 51 I 7.86 3.65 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.99 0.92 0.00 0.00 52 V 7.35 3.52 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 0.78 0.00 0.00 0.99 0.00 0.00 53 K 8.05 3.96 0.00 1.98 1.83 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.43 7.81 54 Q 8.16 4.50 0.00 2.28 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.57 2.25 0.00 55 A 7.63 4.03 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.80 2.86 0.00 0.00 6.82 8.15 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 *75 A 7.48 4.23 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 7.98 4.98 0.00 2.92 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 77 G 8.35 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 0.00 0.00 0.00 78 E 8.61 3.90 0.00 2.11 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 2.32 2.28 0.00 79 E 7.97 3.90 0.00 1.95 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 2.37 2.33 0.00 80 M 7.79 4.29 0.00 2.14 2.42 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.56 0.00 81 T 7.94 3.88 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 1.32 0.00 0.00 82 A 8.20 4.07 1.42 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 0.00 0.00 83 T 7.51 3.89 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 1.29 0.00 0.00 84 C 7.83 4.10 0.00 3.15 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.03 4.12 0.00 1.91 1.70 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 86 R 7.59 3.70 0.00 1.74 1.96 0.00 2.86 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.32 0.00 87 D 8.39 4.23 0.00 3.07 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 88 L 8.23 4.26 0.00 1.93 1.78 0.90 1.36 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 89 D 7.96 4.44 0.00 2.71 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 90 Y 7.96 4.35 0.00 2.98 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.75 1.11 0.00 0.00 108 E 8.32 4.09 0.00 2.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.57 0.00 109 E 8.39 4.05 0.00 1.95 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 2.37 2.51 0.00 110 I 7.84 4.21 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.67 0.89 0.00 0.00 111 G 8.58 4.43 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 0.00 112 L 8.31 4.79 0.00 1.98 1.72 1.09 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.68 4.14 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 0.80 0.00 0.00 1.02 0.00 0.00 114 G 8.36 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 0.00 115 V 7.97 3.76 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 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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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 I 7.62 4.04 1.83 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.66 1.04 0.00 0.00 134 R 7.86 3.84 0.00 2.00 1.96 0.00 3.30 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 135 A 7.90 4.08 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 0.00 136 M 7.50 3.86 0.00 2.31 2.41 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.59 0.00 137 K 7.53 2.48 0.00 1.14 1.75 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.26 1.28 7.81 138 N 7.75 4.32 0.00 2.85 2.76 0.00 0.00 6.47 7.34 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 0.00 139 V 7.50 3.48 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 0.81 0.00 0.00 0.94 0.00 0.00 140 A 8.16 4.11 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 0.00 141 C 7.70 4.10 0.00 2.92 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 0.00 142 S 7.73 4.25 0.00 3.98 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 0.00 143 L 7.67 4.43 0.00 1.75 1.74 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 144 L 6.82 4.79 0.00 1.65 1.57 1.05 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 145 S 8.26 4.40 0.00 4.05 4.01 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 0.00 146 A 8.52 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 0.00 147 E 8.00 4.17 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 148 D 7.80 4.50 0.00 2.69 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 0.00 149 A 7.89 4.31 1.42 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 0.00 0.00 150 A 7.62 3.80 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 *161 E 7.96 4.39 0.00 2.10 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 2.51 2.46 0.00 162 A 7.75 4.42 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.32 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 0.00 0.00 0.00 164 S 8.07 4.09 0.00 3.69 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 0.00 165 Y 8.09 4.03 0.00 2.96 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 0.00 166 F 7.85 4.28 0.00 3.36 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 0.00 167 D 8.29 4.43 0.00 2.93 2.76 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 0.00 168 F 8.39 4.03 0.00 2.92 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 0.00 169 V 7.73 3.61 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 1.07 0.00 0.00 170 I 7.94 3.63 1.83 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 1.67 0.45 1.01 0.00 0.00 171 G 7.99 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 A 8.47 4.34 1.11 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 0.00 173 M 7.48 4.35 0.00 1.88 2.07 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.57 0.00 174 Q 7.75 4.07 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.65 0.00 0.00 0.00 0.00 0.00 2.18 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.