NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 N 4.7869 8.4093 118.1349 51.8181 40.1167 174.2883 12 P 4.6848 0.0000 0.0000 60.5627 31.8338 173.9005 13 I 4.2224 8.6033 114.6146 59.3303 40.1866 176.1342 14 Y 4.6667 8.1923 122.1648 55.7602 40.2196 176.1475 15 F 4.2754 9.2158 123.8139 61.6793 39.3060 177.5482 16 E 3.8379 8.2674 116.0403 58.9238 29.6436 178.1690 17 S 4.2124 8.0326 115.6958 60.9552 63.1163 174.8108 18 I 4.0061 7.2054 122.2340 60.7232 37.4131 175.2305 19 Q 4.4915 9.4594 123.7554 53.5814 30.8042 175.1290 20 I 3.6573 8.2142 122.0539 63.0947 37.5286 175.5050 21 G 4.0926 8.5348 112.9800 45.6287 0.0000 174.2902 22 E 4.1538 8.0613 119.7129 56.3648 30.4415 176.1691 23 K 5.1806 8.6474 124.3251 54.6715 35.5963 174.8453 24 I 4.5301 9.0585 127.2696 59.5114 39.8558 174.0194 25 E 4.6643 8.8322 128.1822 54.4461 30.5442 175.7012 26 G 3.9364 8.5989 114.9409 45.4784 0.0000 172.4221 27 L 4.3559 8.2691 123.0630 53.3007 42.7337 175.1674 28 P 4.6574 0.0000 0.0000 62.9154 32.0882 175.6933 29 R 4.7292 8.2229 116.5253 55.1326 33.2452 174.1451 30 T 4.6303 8.4783 118.9387 62.9093 69.1315 174.9317 31 V 3.9409 8.5051 127.8289 62.0507 32.2452 175.5278 32 T 4.6891 8.8684 117.7267 59.2598 70.9488 174.1751 33 E 4.0771 8.8365 123.2115 59.8401 29.4143 178.4984 34 T 3.9459 8.0179 115.1225 66.8679 68.4738 175.9197 35 D 4.3705 8.0023 119.9456 57.4667 40.9176 178.5772 36 I 3.7552 7.9127 120.0706 64.4691 37.2205 178.5834 37 W 3.2741 8.8863 119.9404 59.7139 28.7182 178.7472 38 T 3.7926 8.1939 116.0565 66.5924 67.9253 176.4525 39 F 3.9191 8.2243 122.3013 61.0601 39.4223 177.0126 40 A 3.6338 7.7388 120.5038 55.0647 17.9811 179.0845 41 Y 4.4084 8.0100 115.5172 61.4021 37.8204 178.4351 42 L 3.9469 7.8824 120.1911 58.1067 42.2148 178.3106 43 T 4.1196 7.4232 105.6982 60.2975 69.2658 174.1111 44 A 3.8726 7.6345 123.1071 53.4409 16.8307 176.8726 45 D 4.7730 7.7370 118.8452 54.4250 42.3856 176.4858 46 F 4.2993 8.4428 129.8256 55.7350 38.1255 176.1985 47 F 4.0483 8.1161 123.7118 57.2494 40.2858 173.8165 48 P 3.8401 0.0000 0.0000 65.6230 30.4365 178.0968 49 L 4.1643 7.0709 119.9538 57.5008 42.3476 177.8468 50 H 4.7201 8.2551 115.1817 56.7526 29.6026 175.8315 51 T 4.3819 7.6370 106.2227 60.7991 69.2325 173.2418 52 D 4.7613 8.2432 122.0964 52.0399 41.8932 175.9052 53 V 3.7434 8.7335 126.6078 66.2749 31.2290 177.3942 54 E 4.0701 8.2807 116.3812 59.3146 29.8173 178.6601 55 F 4.1719 8.9545 120.6740 61.2941 39.4823 176.8673 56 A 4.2681 8.4623 120.4420 55.4154 17.8903 179.5609 57 K 4.4215 7.5218 116.2160 58.7464 32.2127 178.1015 58 K 4.2063 7.6169 115.3653 56.6642 32.1955 176.6348 59 T 4.3953 7.6126 111.0162 59.7254 70.5530 175.4112 60 I 3.7359 8.0414 120.7807 62.8112 37.9902 176.1483 61 F 4.6833 7.9682 117.1048 57.6980 40.1614 176.6901 62 G 4.4062 8.4956 113.6978 45.2916 0.0000 173.6795 63 K 5.0260 7.8558 116.5618 53.1450 34.9632 173.9628 64 P 4.7957 0.0000 0.0000 62.7215 32.1191 175.2955 65 I 4.7632 7.5367 111.7207 58.6476 40.6700 174.9106 66 A 4.1240 8.3037 124.7299 51.8140 19.1987 177.5820 67 Q 3.5942 8.1214 118.6648 54.5935 30.4144 178.9520 68 G 2.8830 7.9291 111.2137 45.4642 0.0000 175.3459 *70 L 3.2406 8.1462 122.4342 54.2929 43.8236 178.8168 71 V 3.4848 7.3540 117.6411 65.7799 31.2341 177.7155 72 L 3.9135 8.0247 120.0678 58.2208 41.9646 179.1202 73 S 4.0797 7.8588 114.4997 61.8109 62.6614 176.6462 74 I 3.6721 7.8285 121.2193 64.1610 36.8230 178.0974 75 A 4.0653 7.8561 120.8623 55.2873 18.6002 179.1993 76 L 3.9972 8.1599 117.3578 57.7008 41.6015 180.5590 77 G 3.7087 7.9341 102.3533 45.4176 0.0000 175.3360 *79 V 3.9819 7.7269 122.3341 62.5645 33.4186 177.1473 80 D 4.2532 8.0658 118.6049 57.1326 40.7578 177.8141 81 Q 4.0388 8.0315 120.3888 59.0852 28.7130 178.6971 82 V 3.5979 7.3346 118.6315 65.9322 31.9306 177.8271 83 I 4.0442 7.6952 119.0734 64.5290 36.8464 178.0835 84 L 4.0723 8.3030 119.1276 57.3336 41.4812 178.8049 85 S 4.6524 7.4678 111.2085 58.2439 63.4214 174.2207 86 N 4.7262 8.0252 117.8171 52.9705 40.4475 173.6762 87 Y 4.7899 7.4096 113.6572 56.0875 42.3780 174.2559 88 D 4.6037 8.5951 121.3656 53.6555 41.0821 176.4855 89 V 3.9883 8.2782 120.2060 61.6277 31.4165 178.6651 90 S 4.2265 8.1806 117.3658 60.7033 63.0214 175.4553 91 S 4.1581 7.8025 115.0602 59.6447 63.3504 173.5411 92 V 4.0797 7.3713 121.4939 62.4987 30.1917 176.0515 93 I 4.0406 8.4682 128.2411 63.8133 37.5352 176.0433 94 A 4.6211 8.0957 121.4926 50.7945 23.2955 174.9836 95 F 4.9218 8.7904 122.2505 57.6176 39.1710 175.3992 96 F 4.0710 9.7545 129.4180 59.5106 39.5325 175.1270 97 G 3.8537 8.2042 103.1382 46.1289 0.0000 171.5530 98 I 4.4999 8.2477 120.4098 60.1467 38.1388 176.0451 99 K 3.5858 9.0839 126.8259 59.3515 31.8009 176.1546 100 D 5.1053 8.8784 115.0831 52.4225 45.9160 174.9074 101 V 4.6647 8.0601 122.5919 61.2705 34.7090 174.5415 102 R 4.3260 8.9962 126.8754 54.3738 33.1464 174.9086 103 F 4.7944 8.5571 123.5336 56.7088 38.5663 176.0197 104 L 4.2709 8.6838 123.6847 57.0640 41.8135 177.2716 105 R 4.9210 8.0334 117.6147 53.5816 33.1066 172.8735 106 P 4.3584 0.0000 0.0000 62.4887 32.8994 175.3961 107 V 4.2931 7.7690 121.1500 61.3405 33.4530 175.1595 108 F 4.9143 9.4812 127.3031 56.1075 40.1947 176.9259 109 I 3.7195 8.6724 123.4700 63.9796 36.9205 177.1262 110 G 4.0824 7.9680 106.0259 45.0502 0.0000 173.1827 111 D 4.7821 8.4274 121.1161 54.6172 42.3630 175.7097 112 T 4.9835 8.5285 118.2046 62.0045 70.8121 173.2532 113 I 4.6923 8.2193 120.6647 59.5978 40.3744 174.7168 114 A 4.9149 8.9660 124.7986 50.2787 22.4591 174.9301 115 A 5.4468 8.6683 123.1848 50.2103 22.7361 175.2571 116 S 5.2093 9.0710 113.1867 56.6710 67.1674 172.8014 117 A 5.3387 8.9181 123.0009 50.2714 22.4501 174.5866 118 E 5.0668 9.0148 121.8023 54.0861 33.5536 174.9001 119 V 3.7759 8.5544 127.2018 63.1636 32.0079 176.3880 120 V 4.4023 8.3418 120.2249 61.1875 33.7540 175.2293 121 E 4.7282 7.5758 119.7285 55.1720 33.0182 173.7877 122 K 5.3238 8.3931 123.1813 55.0399 36.7051 175.8997 123 Q 4.5370 9.1406 122.4163 54.7733 31.7446 173.4863 124 D 4.3772 9.0295 124.0371 55.0306 41.5095 175.0150 125 F 4.6380 8.6543 123.3432 59.2119 41.7088 174.2652 126 D 4.5178 7.9215 117.4781 52.2915 41.7552 175.0694 127 E 4.2027 8.7255 115.8858 58.3021 29.8408 177.2435 128 K 4.5117 8.2251 118.3262 56.1213 33.7748 175.0867 129 S 4.9648 7.6002 111.6153 57.8018 66.6787 174.2120 130 G 3.4966 8.3601 106.7061 44.4497 0.0000 171.6832 131 V 4.5992 7.8966 113.6939 59.4570 33.8683 175.2658 132 V 4.7344 8.9440 125.2189 61.4275 34.0222 174.2116 133 T 4.9783 8.6380 124.4739 62.0314 70.9767 173.0147 134 Y 4.8717 9.2388 124.2812 55.9046 41.7239 174.4644 135 K 4.7728 9.1010 124.2786 54.8645 34.2919 174.5707 136 L 5.3216 9.8484 130.8817 53.7999 44.3023 174.9053 137 E 5.1290 9.2785 124.8095 54.6020 33.6568 174.5909 138 V 4.9728 9.1336 124.6498 60.9127 34.5760 174.4195 139 K 5.2837 9.0451 125.9874 55.4749 36.9164 174.7945 140 N 5.6831 8.9007 118.6658 50.1852 39.8437 175.4794 141 Q 4.0824 8.9294 116.1815 58.7534 28.3492 177.3110 142 R 4.5167 8.2949 115.4697 55.7820 29.8997 178.5140 143 G 4.0035 8.1471 107.4132 46.9264 0.0000 175.0348 144 E 3.9696 7.7344 120.0918 56.2295 29.9556 176.0860 145 L 4.6682 8.3545 124.8758 54.6092 42.0959 176.3421 146 V 4.2007 8.7080 121.1278 63.1195 33.3008 176.2010 147 L 5.0681 7.6150 120.2582 53.9350 45.8895 174.5800 148 T 5.1863 8.6781 117.9106 60.8083 70.9696 172.2486 149 A 4.9979 9.1123 127.6735 51.0616 23.7506 174.7462 150 L 5.2573 9.3904 121.5646 53.5172 44.8001 175.0437 151 Y 5.6233 9.0536 123.9421 55.4555 42.2064 174.2924 152 S 5.2756 10.2059 114.3070 56.8046 67.0574 172.6199 153 A 5.5104 9.4060 123.2689 50.2304 22.7453 174.8280 154 L 4.7512 9.1981 123.6942 53.7297 43.4653 175.3596 155 I 4.9682 8.4564 120.6252 58.5997 40.7374 175.2023 156 R 4.4624 9.2769 125.5885 56.8474 31.1013 175.6605 157 K 5.0501 8.6111 124.6884 55.1631 33.9757 176.8635 158 T 2.8482 8.2688 118.5805 63.4016 68.6864 172.8602 159 P 4.3930 0.0000 0.0000 62.7511 31.3775 176.2991 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 11 N 8.41 4.79 0.00 2.85 2.98 0.00 0.00 6.93 7.13 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 12 P 0.00 4.68 0.00 1.73 1.96 0.00 3.39 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 13 I 8.60 4.22 1.58 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.46 0.21 0.00 0.00 14 Y 8.19 4.67 0.00 3.14 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 15 F 9.22 4.28 0.00 3.16 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 16 E 8.27 3.84 0.00 2.09 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 2.35 2.29 0.00 17 S 8.03 4.21 0.00 4.00 3.94 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 18 I 7.21 4.01 1.75 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.70 0.77 0.00 0.00 19 Q 9.46 4.49 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.22 0.00 20 I 8.21 3.66 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.41 0.91 0.00 0.00 21 G 8.53 4.09 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 0.00 0.00 0.00 22 E 8.06 4.15 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 2.32 2.51 0.00 23 K 8.65 5.18 0.00 1.73 1.65 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.62 7.81 24 I 9.06 4.53 1.93 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 1.20 0.62 0.99 0.00 0.00 25 E 8.83 4.66 0.00 1.95 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 2.21 2.36 0.00 26 G 8.60 3.94 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 0.00 0.00 0.00 27 L 8.27 4.36 0.00 1.61 1.58 0.92 0.95 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 28 P 0.00 4.66 0.00 2.08 1.97 0.00 3.73 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 29 R 8.22 4.73 0.00 1.79 1.96 0.00 2.76 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 30 T 8.48 4.63 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 1.31 0.00 0.00 31 V 8.51 3.94 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 0.71 0.00 0.00 0.89 0.00 0.00 32 T 8.87 4.69 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 1.38 0.00 0.00 33 E 8.84 4.08 0.00 2.04 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 1.98 2.11 0.00 34 T 8.02 3.95 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 35 D 8.00 4.37 0.00 2.97 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.91 3.76 2.31 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.97 0.73 0.00 0.00 37 W 8.89 3.27 0.00 3.35 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 38 T 8.19 3.79 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 39 F 8.22 3.92 0.00 3.14 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 40 A 7.74 3.63 0.17 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 0.00 0.00 41 Y 8.01 4.41 0.00 3.12 2.93 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 0.00 0.00 0.00 42 L 7.88 3.95 0.00 1.63 1.62 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.42 4.12 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 0.29 0.00 0.00 44 A 7.63 3.87 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 45 D 7.74 4.77 0.00 2.66 2.45 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 46 F 8.44 4.30 0.00 2.97 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 47 F 8.12 4.05 0.00 3.25 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 48 P 0.00 3.84 0.00 0.49 1.62 0.00 2.30 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.78 0.00 49 L 7.07 4.16 0.00 1.89 1.69 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.26 4.72 0.00 3.04 3.09 0.00 5.65 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 51 T 7.64 4.38 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 52 D 8.24 4.76 0.00 2.62 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 53 V 8.73 3.74 2.18 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 1.08 0.00 0.00 1.05 0.00 0.00 54 E 8.28 4.07 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 55 F 8.95 4.17 0.00 3.07 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 56 A 8.46 4.27 1.60 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 0.00 0.00 57 K 7.52 4.42 0.00 1.97 1.92 0.00 1.69 0.00 0.00 1.58 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.62 7.81 58 K 7.62 4.21 0.00 1.51 1.69 0.00 1.52 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.29 7.81 59 T 7.61 4.40 4.42 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 1.27 0.00 0.00 60 I 8.04 3.74 1.66 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.65 0.06 0.00 0.00 61 F 7.97 4.68 0.00 3.24 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 62 G 8.50 4.41 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 0.00 0.00 0.00 63 K 7.86 5.03 0.00 2.01 1.90 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.17 7.81 64 P 0.00 4.80 0.00 2.32 2.20 0.00 3.85 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 65 I 7.54 4.76 1.48 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.46 0.27 0.00 0.00 66 A 8.30 4.12 1.08 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 67 Q 8.12 3.59 0.00 1.46 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.16 0.00 0.00 0.00 0.00 0.00 2.25 1.55 0.00 68 G 7.93 2.88 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 *70 L 8.15 3.24 0.00 0.48 1.35 0.72 0.69 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 71 V 7.35 3.48 2.16 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 0.91 0.00 0.00 0.86 0.00 0.00 72 L 8.02 3.91 0.00 1.95 1.65 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 73 S 7.86 4.08 0.00 3.98 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 74 I 7.83 3.67 1.80 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 1.42 0.55 0.88 0.00 0.00 75 A 7.86 4.07 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 76 L 8.16 4.00 0.00 1.55 1.45 0.83 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.93 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *79 V 7.73 3.98 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 0.93 0.00 0.00 0.99 0.00 0.00 80 D 8.07 4.25 0.00 2.83 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 81 Q 8.03 4.04 0.00 2.34 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.60 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 82 V 7.33 3.60 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.95 0.00 0.00 83 I 7.70 4.04 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 1.76 0.76 1.02 0.00 0.00 84 L 8.30 4.07 0.00 1.84 1.74 0.91 0.88 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 85 S 7.47 4.65 0.00 3.93 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 86 N 8.03 4.73 0.00 2.37 1.98 0.00 0.00 6.65 6.85 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 87 Y 7.41 4.79 0.00 2.90 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 88 D 8.60 4.60 0.00 2.73 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 89 V 8.28 3.99 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 0.82 0.00 0.00 0.93 0.00 0.00 90 S 8.18 4.23 0.00 4.00 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 91 S 7.80 4.16 0.00 3.81 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 92 V 7.37 4.08 2.17 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 0.74 0.00 0.00 0.89 0.00 0.00 93 I 8.47 4.04 2.04 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 1.30 0.86 0.94 0.00 0.00 94 A 8.10 4.62 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 95 F 8.79 4.92 0.00 3.03 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 96 F 9.75 4.07 0.00 3.09 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 G 8.20 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 0.00 0.00 0.00 98 I 8.25 4.50 1.84 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 1.36 0.45 1.03 0.00 0.00 99 K 9.08 3.59 0.00 1.83 1.78 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.49 7.81 100 D 8.88 5.11 0.00 2.72 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.06 4.66 1.83 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 0.19 0.00 0.00 0.87 0.00 0.00 102 R 9.00 4.33 0.00 1.61 1.71 0.00 3.13 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.73 0.00 103 F 8.56 4.79 0.00 2.95 2.97 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 0.00 104 L 8.68 4.27 0.00 1.81 1.75 0.93 0.89 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 0.00 105 R 8.03 4.92 0.00 1.92 1.79 0.00 3.38 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 106 P 0.00 4.36 0.00 1.40 1.88 0.00 3.88 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.25 0.00 107 V 7.77 4.29 1.92 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 0.95 0.00 0.00 0.86 0.00 0.00 108 F 9.48 4.91 0.00 3.40 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 0.00 109 I 8.67 3.72 1.98 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.59 0.96 0.00 0.00 110 G 7.97 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 0.00 111 D 8.43 4.78 0.00 2.77 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.53 4.98 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 113 I 8.22 4.69 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.82 0.90 0.00 0.00 114 A 8.97 4.91 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.67 5.45 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 S 9.07 5.21 0.00 3.88 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.92 5.34 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 0.00 118 E 9.01 5.07 0.00 2.05 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 2.16 2.34 0.00 119 V 8.55 3.78 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 0.56 0.00 0.00 0.69 0.00 0.00 120 V 8.34 4.40 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 0.72 0.00 0.00 0.89 0.00 0.00 121 E 7.58 4.73 0.00 1.95 1.65 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 2.25 2.30 0.00 122 K 8.39 5.32 0.00 1.57 1.70 0.00 1.60 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.27 7.81 123 Q 9.14 4.54 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.83 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 124 D 9.03 4.38 0.00 2.74 2.65 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 0.00 125 F 8.65 4.64 0.00 2.68 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 0.00 126 D 7.92 4.52 0.00 2.77 2.54 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 0.00 127 E 8.73 4.20 0.00 2.09 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 0.00 2.28 2.27 0.00 128 K 8.23 4.51 0.00 2.02 1.87 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.35 7.81 129 S 7.60 4.96 0.00 3.98 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 0.00 130 G 8.36 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 V 7.90 4.60 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.45 0.00 0.00 0.76 0.00 0.00 132 V 8.94 4.73 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 0.42 0.00 0.00 1.07 0.00 0.00 133 T 8.64 4.98 4.13 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 1.16 0.00 0.00 134 Y 9.24 4.87 0.00 1.43 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 0.00 135 K 9.10 4.77 0.00 1.75 1.67 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.37 7.81 136 L 9.85 5.32 0.00 2.21 1.80 1.04 0.70 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 0.00 137 E 9.28 5.13 0.00 1.93 1.79 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 2.23 2.24 0.00 138 V 9.13 4.97 2.16 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 1.13 0.00 0.00 0.93 0.00 0.00 139 K 9.05 5.28 0.00 1.96 1.86 0.00 1.35 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.36 7.81 140 N 8.90 5.68 0.00 2.89 3.03 0.00 0.00 6.63 6.63 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 0.00 141 Q 8.93 4.08 0.00 2.20 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 7.58 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 142 R 8.29 4.52 0.00 2.04 2.18 0.00 2.93 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 143 G 8.15 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 0.00 144 E 7.73 3.97 0.00 2.19 1.92 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 2.36 2.45 0.00 145 L 8.35 4.67 0.00 1.60 1.62 0.97 0.96 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 0.00 146 V 8.71 4.20 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 0.68 0.00 0.00 0.98 0.00 0.00 147 L 7.62 5.07 0.00 1.73 1.45 1.08 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 148 T 8.68 5.19 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 1.16 0.00 0.00 149 A 9.11 5.00 1.24 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 0.00 150 L 9.39 5.26 0.00 1.71 1.54 0.97 0.88 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 0.00 151 Y 9.05 5.62 0.00 3.51 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 0.00 152 S 10.21 5.28 0.00 3.98 4.03 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 0.00 153 A 9.41 5.51 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 0.00 154 L 9.20 4.75 0.00 1.77 1.61 0.54 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 155 I 8.46 4.97 1.91 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.74 0.98 0.00 0.00 156 R 9.28 4.46 0.00 2.04 1.96 0.00 3.20 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.95 0.00 157 K 8.61 5.05 0.00 1.73 1.81 0.00 1.89 0.00 0.00 1.65 0.00 0.00 3.16 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.31 7.81 158 T 8.27 2.85 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 159 P 0.00 4.39 0.00 2.01 1.97 0.00 3.40 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 2.12 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.