NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2730 8.3444 118.8255 55.7291 30.6039 174.8349 4 L 4.3881 7.7052 119.8738 51.3658 43.5837 174.3651 5 T 4.7467 8.7179 116.9749 60.4342 73.6259 175.7613 6 E 4.0404 8.6463 120.7463 60.7591 29.5026 180.1664 7 E 4.1279 8.0260 117.4758 59.9538 29.9904 178.3201 8 Q 3.8820 7.9015 118.0346 59.1267 28.6608 179.0562 9 I 4.0881 8.0884 120.5677 64.5511 37.0259 178.3513 10 A 4.1557 7.9596 120.9971 54.8480 18.2492 179.3511 11 E 4.0705 8.4129 117.3512 59.0237 29.5848 179.0774 12 F 4.9990 8.3029 117.9424 60.0086 38.8529 177.5053 13 K 4.0665 7.9757 118.5271 58.8392 32.1859 178.5707 14 E 4.1396 8.2066 119.1197 59.3722 29.4515 178.7116 15 A 4.1602 8.2671 120.6933 55.5152 18.4354 179.1694 16 F 3.4626 8.5235 118.4456 61.7609 39.1746 177.6768 17 S 4.1856 8.2592 113.2034 61.1401 62.5822 176.3725 18 L 4.0463 7.9074 121.9237 57.5765 41.3685 179.2255 19 F 4.1868 7.7616 116.0715 59.8950 40.8358 177.1252 20 D 4.7046 7.6054 119.7132 53.3572 37.4701 176.4718 21 K 3.9614 7.8326 122.2877 58.9494 32.7856 177.9027 22 D 4.5910 8.1510 116.1399 52.5076 39.4159 176.1703 23 G 4.0515 7.5850 107.1968 47.0426 0.0000 173.8335 24 D 4.6245 8.3759 115.9967 52.5109 39.8466 177.2705 25 G 4.1836 9.0823 108.0737 45.8412 0.0000 173.5412 26 T 5.0774 7.8507 108.4436 59.9297 72.0862 173.3214 27 I 5.1612 8.9997 125.4015 59.5347 39.5219 175.3040 28 T 4.7890 8.3683 116.2514 60.0128 71.8211 175.3537 29 T 3.9341 8.4279 111.3227 64.6565 68.7647 176.7727 30 K 3.9404 7.9584 120.8352 59.4703 32.0849 178.9951 31 E 3.9959 8.3143 118.8160 59.2074 29.2435 179.2307 32 L 4.2937 8.3109 120.7410 58.0254 42.1161 179.2041 33 G 3.6623 8.5979 106.4125 48.1413 0.0000 175.7313 34 T 3.8982 7.9209 112.6850 64.3564 68.6398 176.7722 35 V 3.6173 7.5036 122.4719 65.3705 31.5309 177.6735 36 M 4.0465 8.3417 118.8444 58.7729 31.8097 179.0415 37 R 4.5340 8.6115 119.8089 58.8380 30.1331 179.2118 38 S 4.1135 8.2461 113.9795 60.7619 62.4703 175.0806 39 L 4.6083 7.5957 121.3190 54.2820 42.7747 176.9630 40 G 3.9399 7.7863 104.8365 46.3511 0.0000 174.3049 41 Q 4.5913 7.9691 118.3743 54.5953 30.8480 175.1275 42 N 5.2085 8.1740 115.7893 51.3041 39.1366 172.4982 43 P 5.1746 0.0000 0.0000 62.3004 32.9858 177.3389 44 T 4.4411 8.2711 110.5841 60.1133 71.7892 175.4744 45 E 3.8882 8.6089 118.8710 59.6654 29.2257 178.6740 46 A 4.1562 8.0880 121.6030 54.9944 18.3565 179.2963 47 E 3.9053 8.0305 116.1246 59.4321 29.5647 179.4718 48 L 3.9651 8.4318 119.3332 58.1043 41.7603 179.3575 49 Q 3.9976 8.8762 120.2627 59.4308 28.9729 178.3155 50 D 4.3714 8.3469 120.1455 57.5006 40.6635 178.5536 51 M 4.0901 8.3050 118.7607 58.5167 32.2512 178.5618 52 I 3.9606 7.8147 119.8283 64.0270 36.9560 178.2282 53 N 4.3312 8.1698 117.5151 56.4750 38.2093 177.1255 54 E 3.8557 7.8514 118.2599 58.9628 29.6914 178.4673 55 V 4.1264 7.0013 109.4401 61.7306 33.1839 176.8466 56 D 5.1567 8.1230 120.1408 53.1241 38.4032 175.9586 57 A 4.0200 8.1831 126.0948 54.1267 19.1211 178.4272 58 D 4.7478 8.4592 113.9480 52.6432 39.6249 176.7291 59 G 4.0868 8.0442 104.6036 46.8864 0.0000 174.7486 60 N 4.3719 8.3095 117.0844 53.9346 37.4055 175.0415 61 G 4.1139 9.0967 107.6229 45.0989 0.0000 172.9074 62 T 4.7915 8.0362 108.1830 59.7276 72.2815 173.4406 63 I 4.8049 8.4261 121.9222 59.7840 39.7288 175.9857 64 D 5.2843 8.6569 127.2009 52.2298 41.7651 177.3362 65 F 3.6347 8.7259 119.5923 61.1045 39.2287 174.8031 66 P 3.8598 0.0000 0.0000 65.9189 31.0599 178.3507 67 E 3.9943 8.9042 117.4226 58.8094 29.2524 179.2309 68 F 4.0178 7.9625 120.6682 61.0750 39.5214 176.7257 69 L 3.2221 7.9293 120.3014 58.5679 41.5805 178.5868 70 T 3.7080 7.3312 114.5752 67.4977 68.2049 175.9056 71 M 3.8749 7.5125 118.7458 58.9019 32.4023 178.0963 72 M 3.8131 7.8160 118.3809 57.8236 32.0807 177.8930 73 A 4.3476 8.0232 121.2094 52.5041 19.4230 178.5819 74 R 3.7745 6.9026 118.8915 56.3935 29.9063 182.9220 75 K 3.9855 8.6148 126.0567 54.9498 31.5168 176.4460 76 M 4.3222 8.4883 126.8428 52.3962 30.5237 173.4742 77 K 4.0896 8.4162 129.4741 54.9181 32.4025 176.5400 78 D 4.6763 8.5731 118.5053 56.1570 40.1955 179.2866 *79 T 4.2075 7.7201 108.2462 62.7339 68.9934 179.7695 80 D 4.3505 7.3499 120.3482 55.0549 41.8914 177.0285 81 S 4.3160 8.5822 117.4914 57.8496 61.4890 173.7236 82 E 4.1678 8.7546 127.0228 58.4706 29.4258 178.3869 83 E 4.0559 8.3530 119.7067 58.8818 29.3968 178.6880 84 E 4.0285 8.1469 118.4368 59.4947 29.6518 178.9273 85 I 3.9053 7.8693 119.3337 64.4640 37.2672 178.1602 86 R 4.2299 8.6342 119.8639 59.7621 29.7055 178.2944 87 E 4.0324 8.0862 116.7007 59.5155 29.2416 178.9582 88 A 4.3330 8.5106 121.0348 55.2418 18.5120 179.4910 89 F 3.3342 8.8244 119.6939 61.1158 39.1870 177.3813 90 R 3.8943 7.9411 117.4384 59.0875 29.8777 178.6037 91 V 3.6771 7.2328 111.0826 64.4833 31.5110 177.9108 92 F 4.1513 7.8483 116.7222 59.3796 40.5906 176.9599 93 D 4.9213 7.6374 119.0212 54.8033 37.0576 177.1074 94 K 4.0528 7.9511 121.5581 58.2417 32.8315 177.8726 95 D 4.4932 8.2815 116.8505 52.7217 39.9111 177.0404 96 G 3.9561 7.8651 107.8663 46.5955 0.0000 174.3275 97 N 4.5064 9.3475 116.5257 53.2978 37.7234 176.0549 98 G 3.9687 10.8311 109.5763 45.1734 0.0000 172.2953 99 Y 5.1432 8.1126 116.6581 56.2789 41.8248 174.9079 100 I 4.9540 9.8397 127.1653 60.2485 38.4865 175.7969 101 S 4.9667 8.8425 121.5803 56.6960 65.3408 175.0880 102 A 3.9738 8.6997 121.8801 55.2824 17.9161 179.4443 103 A 4.1990 8.0193 118.6319 55.7134 18.2751 179.3380 104 E 3.6394 8.1107 116.3236 59.5346 29.5582 179.7549 105 L 4.2417 8.0785 120.2124 58.1200 42.1936 178.7068 106 R 3.8830 8.9379 119.7089 59.9914 30.0547 177.7746 107 H 4.1542 8.8567 116.7259 59.2167 28.5276 177.8154 108 V 3.4715 7.3518 118.3921 66.1455 31.6399 177.4920 109 M 4.1673 8.0904 118.3700 58.8915 31.7890 178.5248 110 T 4.2652 8.1415 117.2965 66.2550 68.5497 176.0655 111 N 4.3034 7.9961 116.4910 55.9152 38.9585 175.7307 112 L 4.3661 7.9304 118.9488 54.2937 41.9347 177.3977 113 G 3.8867 8.0954 107.5436 45.5738 0.0000 173.4142 114 E 4.4979 7.8520 121.4287 55.1373 31.0842 175.8019 115 K 4.7999 8.4592 123.0339 52.7080 34.8513 174.9385 116 L 5.2404 8.2229 122.9667 51.6509 45.5785 177.2214 117 T 4.2057 9.2936 118.2786 63.2736 70.5326 175.7617 118 D 4.4435 8.6953 122.8922 57.6554 40.7301 179.1905 119 E 4.0045 8.0985 117.6709 59.1984 29.9374 178.5675 120 E 3.9314 8.2231 119.1791 59.3871 29.5675 179.4474 121 V 3.6243 7.6007 117.3935 66.0447 31.5217 177.7046 122 D 4.4134 8.1652 120.8718 58.2186 40.8299 179.3073 123 E 3.9942 8.5601 119.0260 61.2706 29.6878 180.9806 124 M 4.2474 7.8317 118.2065 58.5476 32.0869 178.8647 125 I 3.7542 7.8539 119.8926 64.4596 37.0977 178.3957 126 R 3.9508 7.9356 118.2305 59.6269 29.9708 178.1339 127 E 4.0805 8.0791 116.3348 58.4163 29.4682 178.2668 128 A 4.3120 7.1811 119.2222 52.7082 19.8260 177.5108 129 D 4.4258 8.0203 117.1811 54.7961 41.8013 175.8103 130 I 4.3601 9.0333 126.7240 62.0769 39.3151 176.3206 131 D 4.5193 8.4621 116.9724 53.0505 39.9981 177.3138 132 G 3.9225 8.4272 107.9900 45.8458 0.0000 173.6179 133 D 4.4430 8.1542 116.8672 53.3228 39.3190 177.4119 134 G 3.9061 8.8125 107.9468 46.1067 0.0000 172.8423 135 Q 4.8595 8.3952 117.1531 53.9826 33.4352 174.4812 136 V 4.8115 8.7798 119.8169 61.5563 34.2549 174.8362 137 N 5.3592 9.3707 126.3999 51.1173 40.2460 175.0167 138 Y 3.0330 8.2761 117.9274 60.8633 38.9103 177.5200 139 E 3.7552 8.2053 118.9418 59.6851 29.3324 179.3318 140 E 3.9232 9.5709 119.3955 59.2757 29.5957 179.0971 141 F 4.0476 8.4318 121.1080 61.1971 39.4200 176.9834 142 V 3.2748 8.0871 118.4875 66.2822 30.9899 177.7976 143 Q 3.9190 7.5035 115.9856 59.3021 28.6752 178.8229 144 M 4.1089 7.3900 116.2609 57.9760 31.5122 177.8365 145 M 3.9759 7.5316 118.6953 57.3172 32.4296 176.3964 146 T 4.2520 7.5416 114.0365 61.7612 69.3593 174.1621 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 Q 8.34 4.27 0.00 2.18 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.73 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 4 L 7.71 4.39 0.00 1.72 1.63 1.10 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.72 4.75 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 1.24 0.00 0.00 6 E 8.65 4.04 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.94 0.00 7 E 8.03 4.13 0.00 2.02 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 2.38 0.00 8 Q 7.90 3.88 0.00 2.28 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.57 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 9 I 8.09 4.09 2.13 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 1.61 1.62 1.16 0.00 0.00 10 A 7.96 4.16 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 11 E 8.41 4.07 0.00 1.92 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 2.30 2.53 0.00 12 F 8.30 5.00 0.00 3.62 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.98 4.07 0.00 1.67 1.94 0.00 1.09 0.00 0.00 0.61 0.00 0.00 2.48 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.12 1.34 7.81 14 E 8.21 4.14 0.00 2.33 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 2.37 2.36 0.00 15 A 8.27 4.16 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 0.00 0.00 0.00 0.00 0.00 16 F 8.52 3.46 0.00 3.53 3.33 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 17 S 8.26 4.19 0.00 4.19 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 L 7.91 4.05 0.00 1.64 1.37 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.76 4.19 0.00 2.70 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.61 4.70 0.00 2.26 2.36 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 21 K 7.83 3.96 0.00 1.75 1.82 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.64 1.33 7.81 22 D 8.15 4.59 0.00 2.72 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 23 G 7.58 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.38 4.62 0.00 2.77 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 9.08 4.18 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 0.00 0.00 0.00 26 T 7.85 5.08 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 1.28 0.00 0.00 27 I 9.00 5.16 1.74 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 -0.02 0.80 0.00 0.00 28 T 8.37 4.79 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 1.21 0.00 0.00 29 T 8.43 3.93 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 30 K 7.96 3.94 0.00 1.82 1.90 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.54 7.81 31 E 8.31 4.00 0.00 2.02 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 2.31 0.00 32 L 8.31 4.29 0.00 1.93 1.88 1.05 0.89 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 33 G 8.60 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 34 T 7.92 3.90 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 1.31 0.00 0.00 35 V 7.50 3.62 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 1.12 0.00 0.00 0.59 0.00 0.00 36 M 8.34 4.05 0.00 2.08 2.31 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 3.07 0.00 37 R 8.61 4.53 0.00 1.96 1.96 0.00 3.14 0.00 0.00 3.31 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.65 0.00 38 S 8.25 4.11 0.00 4.09 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 39 L 7.60 4.61 0.00 1.78 1.66 0.93 0.76 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 40 G 7.79 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 41 Q 7.97 4.59 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.89 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 42 N 8.17 5.21 0.00 2.63 2.71 0.00 0.00 6.99 8.02 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 43 P 0.00 5.17 0.00 2.20 2.07 0.00 3.37 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 44 T 8.27 4.44 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 45 E 8.61 3.89 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 46 A 8.09 4.16 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.03 3.91 0.00 2.29 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 2.34 2.36 0.00 48 L 8.43 3.97 0.00 1.88 1.74 1.00 0.76 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 49 Q 8.88 4.00 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 50 D 8.35 4.37 0.00 2.89 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 51 M 8.30 4.09 0.00 1.95 2.29 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.61 0.00 52 I 7.81 3.96 1.87 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 1.52 0.91 0.95 0.00 0.00 53 N 8.17 4.33 0.00 2.85 2.86 0.00 0.00 6.95 7.79 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 54 E 7.85 3.86 0.00 2.15 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 0.00 2.35 2.56 0.00 55 V 7.00 4.13 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 0.63 0.00 0.00 0.94 0.00 0.00 56 D 8.12 5.16 0.00 2.98 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.18 4.02 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.46 4.75 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 59 G 8.04 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 60 N 8.31 4.37 0.00 2.85 3.16 0.00 0.00 7.11 6.31 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 61 G 9.10 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 62 T 8.04 4.79 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 1.25 0.00 0.00 63 I 8.43 4.80 1.90 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 1.29 1.05 1.10 0.00 0.00 64 D 8.66 5.28 0.00 2.87 2.89 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 65 F 8.73 3.63 0.00 2.11 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 66 P 0.00 3.86 0.00 2.15 2.04 0.00 3.76 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 67 E 8.90 3.99 0.00 2.18 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 0.00 2.31 2.79 0.00 68 F 7.96 4.02 0.00 3.53 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 69 L 7.93 3.22 0.00 0.95 1.18 0.77 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.33 3.71 4.32 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 1.10 0.00 0.00 71 M 7.51 3.87 0.00 1.77 1.95 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 72 M 7.82 3.81 0.00 0.51 1.23 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 1.72 0.00 73 A 8.02 4.35 1.21 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 0.00 0.00 74 R 6.90 3.77 0.00 1.79 1.75 0.00 3.28 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 75 K 8.61 3.99 0.00 1.77 1.67 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.00 7.81 76 M 8.49 4.32 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.10 0.00 77 K 8.42 4.09 0.00 1.67 1.74 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.03 7.81 78 D 8.57 4.68 0.00 2.69 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 *79 T 7.72 4.21 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 1.21 0.00 0.00 80 D 7.35 4.35 0.00 2.78 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 81 S 8.58 4.32 0.00 3.72 3.79 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 82 E 8.75 4.17 0.00 2.34 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 2.41 2.47 0.00 83 E 8.35 4.06 0.00 2.18 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 2.38 1.98 0.00 84 E 8.15 4.03 0.00 2.39 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 85 I 7.87 3.91 2.18 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 1.58 0.55 1.10 0.00 0.00 86 R 8.63 4.23 0.00 2.10 2.21 0.00 2.85 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 87 E 8.09 4.03 0.00 2.37 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 2.40 2.39 0.00 88 A 8.51 4.33 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.82 3.33 0.00 2.82 3.24 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 90 R 7.94 3.89 0.00 2.09 1.95 0.00 3.33 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 91 V 7.23 3.68 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.80 0.00 0.00 92 F 7.85 4.15 0.00 2.80 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 93 D 7.64 4.92 0.00 1.95 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 0.00 0.00 0.00 94 K 7.95 4.05 0.00 1.77 1.84 0.00 1.75 0.00 0.00 1.86 0.00 0.00 3.21 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.40 1.46 7.81 95 D 8.28 4.49 0.00 2.80 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 96 G 7.87 3.96 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 0.00 0.00 0.00 97 N 9.35 4.51 0.00 2.91 3.06 0.00 0.00 7.11 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 G 10.83 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 8.11 5.14 0.00 2.90 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 0.00 100 I 9.84 4.95 1.88 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.40 0.89 0.00 0.00 101 S 8.84 4.97 0.00 3.90 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 0.00 102 A 8.70 3.97 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 0.00 103 A 8.02 4.20 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 0.00 104 E 8.11 3.64 0.00 2.25 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 0.00 2.35 2.34 0.00 105 L 8.08 4.24 0.00 1.87 1.81 1.12 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.94 3.88 0.00 1.80 2.05 0.00 3.18 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 107 H 8.86 4.15 0.00 3.28 3.32 0.00 5.67 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 0.00 108 V 7.35 3.47 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 0.57 0.00 0.00 0.56 0.00 0.00 109 M 8.09 4.17 0.00 2.09 2.29 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.93 0.00 110 T 8.14 4.27 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 1.20 0.00 0.00 111 N 8.00 4.30 0.00 2.83 2.86 0.00 0.00 7.33 7.30 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 0.00 112 L 7.93 4.37 0.00 1.78 1.59 0.86 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.10 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 7.85 4.50 0.00 2.11 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 2.33 2.24 0.00 115 K 8.46 4.80 0.00 1.72 1.54 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.24 0.98 7.81 116 L 8.22 5.24 0.00 1.57 1.66 0.94 0.98 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 0.00 117 T 9.29 4.21 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 0.00 118 D 8.70 4.44 0.00 2.76 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 0.00 119 E 8.10 4.00 0.00 2.19 2.20 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 2.36 2.40 0.00 120 E 8.22 3.93 0.00 2.15 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 2.41 2.46 0.00 121 V 7.60 3.62 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 1.05 0.00 0.00 1.00 0.00 0.00 122 D 8.17 4.41 0.00 2.91 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 0.00 123 E 8.56 3.99 0.00 1.94 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 2.25 2.23 0.00 124 M 7.83 4.25 0.00 2.10 2.30 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.59 0.00 125 I 7.85 3.75 2.02 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 0.81 0.97 0.00 0.00 126 R 7.94 3.95 0.00 1.80 2.16 0.00 3.26 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 127 E 8.08 4.08 0.00 2.42 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 2.34 2.19 0.00 128 A 7.18 4.31 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.02 4.43 0.00 2.79 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 9.03 4.36 1.88 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 1.35 0.96 0.91 0.00 0.00 131 D 8.46 4.52 0.00 2.78 2.81 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 0.00 132 G 8.43 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 0.00 133 D 8.15 4.44 0.00 2.76 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 G 8.81 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 0.00 135 Q 8.40 4.86 0.00 2.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 136 V 8.78 4.81 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 1.17 0.00 0.00 0.98 0.00 0.00 137 N 9.37 5.36 0.00 2.65 3.00 0.00 0.00 6.48 7.15 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 0.00 138 Y 8.28 3.03 0.00 2.37 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 0.00 139 E 8.21 3.76 0.00 2.00 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 2.43 2.37 0.00 140 E 9.57 3.92 0.00 2.27 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 2.35 2.44 0.00 141 F 8.43 4.05 0.00 3.27 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 0.00 142 V 8.09 3.27 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 0.83 0.00 0.00 0.02 0.00 0.00 143 Q 7.50 3.92 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 144 M 7.39 4.11 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 145 M 7.53 3.98 0.00 1.84 1.79 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.27 0.00 146 T 7.54 4.25 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.