NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4082 8.1885 115.4137 57.8197 64.7987 174.3422 5 A 3.8084 8.4336 121.3699 54.9607 18.0483 178.3439 6 S 4.0606 8.7819 114.4636 61.7049 63.3624 175.3334 7 K 3.9518 7.6456 119.7843 59.4282 31.7800 179.1783 8 Q 3.9513 8.1104 119.8448 59.1063 29.0093 178.0960 9 F 4.1366 8.3431 121.5787 61.6006 39.4807 176.6252 10 H 4.1587 8.3697 115.7491 59.2101 28.5011 177.5108 11 N 4.3625 8.3564 118.1196 56.4051 38.3482 177.4217 12 E 3.8951 8.2872 120.0547 59.2231 29.5258 179.5603 13 V 3.4686 7.5247 118.3278 65.7148 31.4757 177.8611 14 L 3.9424 7.9084 120.0728 57.9659 41.9932 178.6734 15 K 3.8307 8.2511 119.5377 59.5829 32.1200 178.5207 16 A 3.8437 8.0030 120.8117 55.3966 18.2338 179.2141 17 H 4.2739 8.5017 114.7172 59.4343 28.8879 177.9108 18 N 4.4402 8.5910 118.2734 56.1733 38.0767 177.4734 19 E 3.9421 8.0464 119.6053 59.5143 29.6583 178.6097 20 Y 4.2946 7.8707 116.8733 61.1064 37.8959 178.5917 21 R 4.1043 8.5089 119.2953 59.1812 30.1918 178.8728 22 Q 4.0523 8.2833 119.6253 58.9665 28.8805 178.2742 23 K 4.1443 8.0444 119.5000 58.6589 31.8318 177.8157 24 H 4.8816 8.1161 113.8166 54.4397 29.3427 174.7185 25 G 3.9323 7.8391 108.5012 46.5921 0.0000 174.1420 26 V 4.4661 7.4343 111.5266 58.0501 34.1704 174.3913 27 P 4.4035 0.0000 0.0000 62.0130 31.7599 174.9084 28 P 4.6210 0.0000 0.0000 62.7771 32.1127 175.6932 29 L 4.8446 9.0975 119.8598 53.8942 43.5628 176.2474 30 K 4.6550 8.5130 119.4108 54.8631 35.5569 177.3194 31 L 5.1230 8.0756 123.7128 54.0213 43.7401 176.0790 *33 K 4.3429 8.7231 116.9927 57.4995 34.2601 177.6776 34 N 4.3050 8.0294 116.2066 56.6700 38.7952 176.7871 35 L 3.9909 7.8187 119.9528 57.6863 41.6596 179.0440 36 N 4.3529 7.9695 116.0592 56.2959 38.5021 177.1658 37 R 3.9124 8.1018 120.0343 59.5430 30.1805 178.4705 38 E 3.9633 8.3813 118.1467 59.3627 29.4258 179.2097 39 A 4.1106 8.3270 121.1436 55.0992 18.4190 179.5016 40 Q 3.9572 8.5631 118.5488 59.4825 29.3013 178.4196 41 Q 4.0286 8.3540 119.2558 59.2304 28.6777 178.3135 42 Y 4.1896 8.2532 120.8333 60.5723 38.7729 177.9295 43 S 4.0842 8.4333 115.4801 61.5278 63.0136 176.4400 44 E 3.8540 8.2821 121.9712 58.8600 29.1119 179.1414 45 A 3.8497 7.6414 120.6580 55.0664 18.4429 179.7149 46 L 3.5694 7.6076 117.4437 57.6846 41.3965 179.6560 47 A 3.0800 7.4733 120.1015 54.4385 18.2624 179.5486 48 S 4.1184 7.5803 112.7730 61.4964 63.2956 176.2440 49 T 4.0665 7.3837 111.5498 61.5173 69.0176 175.8367 50 R 3.7511 7.8488 118.2526 56.4556 28.1749 175.4948 51 I 4.3930 7.2967 118.9714 59.2113 38.3910 175.5969 52 L 4.3368 8.5409 126.5678 54.4309 42.2146 176.6438 53 K 4.3994 7.9976 119.3595 56.4882 34.5637 174.4899 54 H 4.6834 8.8230 118.0464 55.4651 29.5032 176.2882 55 S 3.9982 8.4578 118.3025 57.3016 64.8188 173.8770 56 P 4.3014 0.0000 0.0000 65.1385 31.0350 178.8443 57 E 4.2580 7.8725 118.3494 58.8274 29.3868 179.2662 58 S 4.0191 7.9024 113.2818 61.3917 62.3920 176.3531 59 S 4.1303 8.2855 117.2113 61.0956 62.4108 175.6207 60 R 4.4136 7.9424 119.0106 55.1630 30.0072 176.8263 61 G 3.8344 7.6295 106.4657 46.5218 0.0000 175.0914 62 Q 4.0264 8.0258 118.6114 57.3032 29.1375 175.9942 *64 G 3.8062 7.6877 105.2031 46.3432 0.0000 171.5325 65 E 5.3344 8.4927 119.9970 54.9590 32.7796 173.8323 66 N 4.9810 9.1816 123.9320 51.2908 41.7252 173.4498 67 L 5.5453 8.5254 121.5395 53.1960 45.4074 175.8218 68 A 4.9488 9.2978 122.9104 50.4143 22.6231 174.9903 69 W 5.0678 9.1273 131.3468 54.6941 34.0150 174.1239 70 A 3.5983 6.0597 124.6429 50.1751 21.8434 177.3260 71 S 3.6685 7.5915 113.3820 59.4044 63.6406 173.0882 72 Y 4.6028 5.9723 117.7824 54.4222 40.7076 174.1661 73 D 4.3249 8.5314 119.2981 53.6078 40.8869 175.6452 74 Q 4.4862 7.9950 126.5906 55.9392 29.4640 176.9936 75 T 4.7553 9.0971 113.1017 60.6955 71.9231 176.4785 76 G 3.2142 8.5771 108.6494 47.6566 0.0000 175.9565 77 K 3.9574 7.9465 121.7753 59.2224 32.3631 178.6037 78 E 3.9545 8.0390 117.6433 59.2809 29.4157 179.3592 79 V 3.1093 7.5245 118.7921 65.5924 31.5143 177.8932 80 A 4.0607 7.6173 120.0909 55.3127 18.2161 179.3286 81 D 4.5298 8.4466 117.6206 57.5217 40.6657 179.0341 82 R 3.9521 7.8163 118.2876 59.2449 30.0119 178.3536 83 W 4.6934 8.1056 118.8540 60.1474 29.0543 177.9833 84 Y 4.2186 8.5720 119.9638 60.4607 38.2259 177.7894 85 S 4.0925 8.2780 115.4013 61.4961 62.7237 176.1673 86 E 4.0632 7.8405 120.2292 58.2463 29.1200 178.5198 87 I 2.4252 7.0308 119.4083 63.3592 37.4278 177.3976 88 K 3.9254 7.5226 119.5089 58.6251 31.9287 176.8523 89 N 4.7148 7.7556 114.0507 52.8033 38.8461 173.4352 90 Y 4.1225 7.5970 120.7197 55.8717 39.9248 174.5443 91 N 4.5394 7.5107 126.1371 51.9174 38.6292 175.2368 92 F 4.4812 8.6727 125.1876 59.7560 39.3251 176.9502 93 Q 4.2839 8.5320 119.7080 57.6327 29.0876 176.3006 94 Q 4.5132 7.5173 114.9586 52.7387 28.1173 172.8867 95 P 4.2703 0.0000 0.0000 62.8725 32.2342 176.9285 96 G 3.9432 7.4840 111.2614 44.2487 0.0000 171.9781 97 F 3.9346 7.0957 122.8059 57.8316 40.3398 174.7815 98 T 4.2372 6.8262 115.4803 59.8356 71.8288 174.8292 99 S 3.8300 8.4753 120.7612 61.6356 63.0251 176.8410 100 G 3.6971 7.8924 107.5229 47.5257 0.0000 173.8351 101 T 4.6935 7.6176 108.4963 60.9701 69.6657 176.0679 102 G 3.6645 7.7685 110.6858 46.4325 0.0000 175.8207 103 H 4.5995 8.2329 119.6990 57.9385 28.8367 177.6693 104 F 4.2112 8.4130 122.2594 61.6175 39.4745 177.2446 105 T 3.2085 8.0437 109.2886 64.3517 67.8985 176.3230 106 A 3.7215 7.6064 123.3445 54.9029 18.0896 179.4071 107 M 3.9189 7.4218 116.1605 58.2685 32.1926 178.5731 108 V 4.2971 6.8473 108.4170 59.4439 32.2607 175.6642 109 W 3.9782 7.2922 129.6632 57.4402 30.7539 176.1068 110 K 3.6928 8.0591 128.2571 59.8399 31.4659 177.4157 111 N 4.6403 7.8545 112.2983 54.2755 38.7384 175.5362 112 T 4.2762 7.9367 116.6253 63.4782 69.3462 174.3341 113 K 4.6590 8.7558 123.5201 56.5005 35.6708 175.9853 114 K 5.4008 8.9085 118.4468 54.8296 36.3754 175.3529 115 M 5.2561 9.0142 118.3166 53.9436 35.2882 173.9537 116 G 4.3700 8.8988 106.7318 44.4541 0.0000 171.8049 117 V 5.1013 9.1343 123.0121 60.9273 34.5500 174.9719 118 G 4.5060 9.3882 113.1804 44.8927 0.0000 171.3082 119 K 5.2410 9.1478 122.4538 54.8081 35.5490 175.1790 120 A 4.7650 9.0327 127.6347 50.5404 22.9940 174.7954 121 S 5.3017 8.6163 115.7941 56.8674 65.4677 174.3883 122 A 4.4531 9.0864 127.5258 50.7487 19.8571 178.5636 123 S 4.1511 8.6291 113.5810 61.4646 62.8286 175.0211 124 D 4.6384 8.1903 118.0109 52.9411 39.2857 177.2834 125 G 3.9916 8.2117 109.0087 45.5176 0.0000 174.5150 126 S 4.3504 8.3274 114.8371 57.6879 64.3764 173.4573 127 S 5.2772 7.9925 116.4065 56.6242 66.1094 172.8030 128 F 5.0116 9.3843 120.9217 55.8723 41.7939 174.1954 129 V 5.0446 9.0805 124.6784 61.0848 34.1482 174.4611 130 V 5.2231 9.2155 126.9351 61.1247 34.7358 173.7337 131 A 5.1623 9.2608 129.5326 50.2018 21.7535 174.9005 132 R 4.8992 8.8273 121.7463 54.5357 33.0026 174.9233 133 Y 5.2916 8.6467 120.2043 56.2749 41.4658 174.9819 134 F 4.7061 9.3358 125.0224 55.9550 43.0192 172.6481 135 P 3.0703 0.0000 0.0000 61.0826 31.9613 175.9398 136 A 3.8784 7.8646 123.2660 52.4728 19.0819 178.2294 137 G 2.4935 7.6988 112.4897 44.9564 0.0000 172.8224 138 N 3.4478 5.7700 112.2151 53.7836 36.1244 174.7131 139 V 3.4843 6.2991 117.0790 62.4638 31.9554 176.0757 140 V 4.0221 8.1505 120.8125 63.4586 32.1914 176.5713 141 N 4.6135 8.0414 117.2478 52.8993 39.0510 174.0014 142 E 4.2086 8.7426 119.8955 58.4807 30.3079 176.8473 143 G 4.1019 9.1470 111.0568 46.0344 0.0000 175.5978 144 F 4.1067 8.3091 118.0166 60.7591 38.8957 177.7181 145 F 3.9379 8.7408 116.9506 60.4502 38.6158 177.2340 146 E 4.1437 8.3479 117.7412 59.1009 29.5497 177.8355 147 E 4.0545 7.9109 118.0559 57.9250 30.0204 177.1830 148 N 4.4412 7.7264 115.0747 51.7515 39.6338 174.0601 149 V 4.1932 7.5536 119.9611 60.8772 31.5725 174.4598 150 L 4.7234 8.0369 126.6003 52.1838 43.2552 175.3712 151 P 3.2361 0.0000 0.0000 61.3905 31.9755 174.6349 152 P 4.6540 0.0000 0.0000 62.6652 31.1696 176.1298 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 4 S 8.19 4.41 0.00 4.02 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 5 A 8.43 3.81 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 6 S 8.78 4.06 0.00 3.84 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.65 3.95 0.00 1.85 1.87 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.45 7.81 8 Q 8.11 3.95 0.00 2.26 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 9 F 8.34 4.14 0.00 3.25 3.21 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 10 H 8.37 4.16 0.00 3.43 3.33 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.36 4.36 0.00 2.90 2.86 0.00 0.00 7.12 7.28 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 12 E 8.29 3.90 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 2.45 2.45 0.00 13 V 7.52 3.47 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 1.02 0.00 0.00 0.12 0.00 0.00 14 L 7.91 3.94 0.00 1.87 1.80 1.02 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.25 3.83 0.00 1.92 1.95 0.00 1.66 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.43 7.81 16 A 8.00 3.84 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 17 H 8.50 4.27 0.00 3.61 3.55 0.00 5.82 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.59 4.44 0.00 2.81 2.89 0.00 0.00 7.10 8.52 0.00 0.00 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 E 8.05 3.94 0.00 1.77 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 2.25 2.48 0.00 20 Y 7.87 4.29 0.00 3.19 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 21 R 8.51 4.10 0.00 2.06 2.05 0.00 3.40 0.00 0.00 3.37 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.93 0.00 22 Q 8.28 4.05 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 23 K 8.04 4.14 0.00 2.15 1.91 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.48 1.71 7.81 24 H 8.12 4.88 0.00 3.32 3.40 0.00 5.81 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 25 G 7.84 3.93 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 0.00 0.00 0.00 26 V 7.43 4.47 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 0.77 0.00 0.00 1.08 0.00 0.00 27 P 0.00 4.40 0.00 2.06 2.01 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 28 P 0.00 4.62 0.00 2.21 2.08 0.00 3.78 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 2.01 2.00 0.00 29 L 9.10 4.84 0.00 1.59 1.72 1.17 0.98 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 30 K 8.51 4.65 0.00 1.72 1.68 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.41 7.81 31 L 8.08 5.12 0.00 1.53 1.63 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 *33 K 8.72 4.34 0.00 1.88 1.89 0.00 1.56 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.51 7.81 34 N 8.03 4.30 0.00 2.80 2.76 0.00 0.00 7.19 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 35 L 7.82 3.99 0.00 1.69 1.66 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 36 N 7.97 4.35 0.00 2.93 2.84 0.00 0.00 6.78 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 37 R 8.10 3.91 0.00 1.98 2.11 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 38 E 8.38 3.96 0.00 2.19 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 2.32 2.51 0.00 39 A 8.33 4.11 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 40 Q 8.56 3.96 0.00 2.32 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 41 Q 8.35 4.03 0.00 2.35 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 42 Y 8.25 4.19 0.00 3.02 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 43 S 8.43 4.08 0.00 4.37 4.30 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 44 E 8.28 3.85 0.00 2.18 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 2.45 0.00 45 A 7.64 3.85 1.20 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 0.00 0.00 0.00 46 L 7.61 3.57 0.00 1.54 1.43 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.47 3.08 1.20 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 0.00 0.00 0.00 48 S 7.58 4.12 0.00 3.98 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 49 T 7.38 4.07 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 50 R 7.85 3.75 0.00 1.97 2.26 0.00 3.26 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.55 0.00 51 I 7.30 4.39 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.76 0.91 0.00 0.00 52 L 8.54 4.34 0.00 1.66 1.69 0.80 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.00 4.40 0.00 1.87 1.78 0.00 1.61 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.53 7.81 54 H 8.82 4.68 0.00 3.20 3.26 0.00 5.70 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.46 4.00 0.00 3.40 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.30 0.00 2.12 2.10 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 57 E 7.87 4.26 0.00 1.94 1.95 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 2.35 2.40 0.00 58 S 7.90 4.02 0.00 3.88 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 59 S 8.29 4.13 0.00 4.04 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 0.00 60 R 7.94 4.41 0.00 1.82 1.96 0.00 3.33 0.00 0.00 3.20 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 61 G 7.63 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 8.03 4.03 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.43 0.00 0.00 0.00 0.00 0.00 2.38 2.28 0.00 *64 G 7.69 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.49 5.33 0.00 1.95 1.84 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 2.29 2.51 0.00 66 N 9.18 4.98 0.00 1.73 1.42 0.00 0.00 6.47 6.29 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 67 L 8.53 5.55 0.00 1.63 1.74 0.99 0.95 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 68 A 9.30 4.95 1.31 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 0.00 0.00 69 W 9.13 5.07 0.00 3.01 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 70 A 6.06 3.60 0.04 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 0.00 0.00 71 S 7.59 3.67 0.00 4.00 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 72 Y 5.97 4.60 0.00 2.97 2.90 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 73 D 8.53 4.32 0.00 2.63 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 74 Q 8.00 4.49 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.61 0.00 0.00 0.00 0.00 0.00 1.99 1.93 0.00 75 T 9.10 4.76 4.31 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 1.31 0.00 0.00 76 G 8.58 3.21 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 0.00 77 K 7.95 3.96 0.00 1.81 1.81 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.71 1.46 7.81 78 E 8.04 3.95 0.00 2.25 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 0.00 2.50 2.31 0.00 79 V 7.52 3.11 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 -0.32 0.00 0.00 0.96 0.00 0.00 80 A 7.62 4.06 1.48 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 0.00 0.00 81 D 8.45 4.53 0.00 2.91 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 82 R 7.82 3.95 0.00 1.92 1.94 0.00 3.31 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 83 W 8.11 4.69 0.00 3.72 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 Y 8.57 4.22 0.00 2.65 2.53 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 0.00 0.00 0.00 0.00 85 S 8.28 4.09 0.00 4.13 4.36 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 86 E 7.84 4.06 0.00 2.14 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 2.40 2.53 0.00 87 I 7.03 2.43 0.56 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 1.20 0.63 0.47 0.00 0.00 88 K 7.52 3.93 0.00 1.77 1.77 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.47 7.81 89 N 7.76 4.71 0.00 2.69 2.75 0.00 0.00 6.88 6.98 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 90 Y 7.60 4.12 0.00 2.80 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 N 7.51 4.54 0.00 2.56 2.40 0.00 0.00 7.21 7.71 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 92 F 8.67 4.48 0.00 3.19 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 93 Q 8.53 4.28 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.20 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 94 Q 7.52 4.51 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.82 0.00 0.00 0.00 0.00 0.00 2.25 2.06 0.00 95 P 0.00 4.27 0.00 2.40 2.31 0.00 3.97 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 96 G 7.48 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 97 F 7.10 3.93 0.00 2.65 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 98 T 6.83 4.24 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 1.01 0.00 0.00 99 S 8.48 3.83 0.00 3.82 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 0.00 100 G 7.89 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 0.00 0.00 0.00 101 T 7.62 4.69 4.50 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 1.29 0.00 0.00 102 G 7.77 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 0.00 103 H 8.23 4.60 0.00 3.60 3.17 0.00 5.65 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 F 8.41 4.21 0.00 3.11 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 T 8.04 3.21 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 1.09 0.00 0.00 106 A 7.61 3.72 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 M 7.42 3.92 0.00 2.14 2.34 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.81 0.00 108 V 6.85 4.30 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 0.78 0.00 0.00 0.30 0.00 0.00 109 W 7.29 3.98 0.00 3.41 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 0.00 110 K 8.06 3.69 0.00 1.61 1.69 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.36 7.81 111 N 7.85 4.64 0.00 2.96 2.92 0.00 0.00 7.15 6.98 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 0.00 112 T 7.94 4.28 4.50 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 1.43 0.00 0.00 113 K 8.76 4.66 0.00 1.74 1.87 0.00 1.67 0.00 0.00 1.87 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.63 1.43 7.81 114 K 8.91 5.40 0.00 1.75 1.70 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.45 7.81 115 M 9.01 5.26 0.00 2.11 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 2.41 2.50 0.00 116 G 8.90 4.37 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 0.00 117 V 9.13 5.10 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 0.99 0.00 0.00 0.89 0.00 0.00 118 G 9.39 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 K 9.15 5.24 0.00 1.12 1.10 0.00 1.43 0.00 0.00 0.66 0.00 0.00 2.13 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.06 1.14 7.81 120 A 9.03 4.76 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 0.00 121 S 8.62 5.30 0.00 3.74 3.78 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 0.00 122 A 9.09 4.45 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.63 4.15 0.00 4.00 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 0.00 124 D 8.19 4.64 0.00 2.87 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 0.00 125 G 8.21 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.33 4.35 0.00 3.78 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 0.00 127 S 7.99 5.28 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 0.00 128 F 9.38 5.01 0.00 2.96 3.06 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 0.00 129 V 9.08 5.04 2.32 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 1.35 0.00 0.00 0.96 0.00 0.00 130 V 9.22 5.22 2.40 0.00 0.00 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 1.20 0.00 0.00 131 A 9.26 5.16 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 R 8.83 4.90 0.00 1.59 1.77 0.00 3.19 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 133 Y 8.65 5.29 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 0.00 134 F 9.34 4.71 0.00 3.12 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 0.00 135 P 0.00 3.07 0.00 1.82 1.38 0.00 3.85 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 1.89 1.62 0.00 136 A 7.86 3.88 1.04 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 0.00 0.00 137 G 7.70 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 N 5.77 3.45 0.00 2.47 2.74 0.00 0.00 6.71 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 V 6.30 3.48 1.82 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 -0.30 0.00 0.00 0.54 0.00 0.00 140 V 8.15 4.02 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 0.49 0.00 0.00 0.84 0.00 0.00 141 N 8.04 4.61 0.00 2.99 3.23 0.00 0.00 7.15 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 0.00 142 E 8.74 4.21 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 143 G 9.15 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 0.00 0.00 0.00 144 F 8.31 4.11 0.00 3.70 3.48 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 0.00 145 F 8.74 3.94 0.00 3.30 3.37 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 0.00 146 E 8.35 4.14 0.00 2.05 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 2.32 2.44 0.00 147 E 7.91 4.05 0.00 1.96 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 2.12 2.22 0.00 148 N 7.73 4.44 0.00 1.44 1.42 0.00 0.00 6.34 7.74 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 0.00 149 V 7.55 4.19 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 0.34 0.00 0.00 0.58 0.00 0.00 150 L 8.04 4.72 0.00 1.85 1.59 0.96 1.14 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 P 0.00 3.24 0.00 1.84 1.52 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.88 0.00 152 P 0.00 4.65 0.00 2.16 2.00 0.00 2.71 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.88 0.00 * Residues marked with a * may have inaccurate shift predictions.