NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.3087 8.1233 122.4542 50.5764 20.4695 175.6920 7 V 4.3062 7.2867 108.8982 57.8973 33.8725 175.1231 8 T 4.4335 8.4878 112.9200 57.6170 69.1782 173.2107 9 G 4.0565 8.5047 114.1523 45.8597 0.0000 170.7911 10 V 4.5502 7.8110 110.8392 59.4615 35.8950 175.3718 11 A 4.5523 8.6947 124.2428 50.5798 20.8681 177.1060 12 L 4.0356 9.2815 125.4910 59.1808 42.5007 176.5061 13 D 4.4041 7.0734 118.5172 53.5251 38.7509 175.1157 14 L 4.1669 8.0228 123.8766 54.8778 41.0550 177.2144 15 D 4.4878 8.3440 120.3502 53.9065 42.1450 174.2468 16 H 4.7282 8.6309 119.4192 55.7109 28.5347 175.2900 17 A 4.7363 7.9281 119.2509 50.4003 22.7508 175.1851 18 Q 4.6698 8.6162 123.2897 54.7884 30.5772 174.0964 19 I 4.9443 7.6847 128.0894 58.5503 39.1252 174.1353 20 G 4.0112 8.2071 116.3420 44.3024 0.0000 170.2126 21 L 5.2131 8.1925 122.0929 52.9878 43.9806 175.7804 22 I 4.5989 8.3545 124.1625 59.9543 40.3539 175.9361 23 G 3.6815 8.6679 111.5641 46.6842 0.0000 173.5880 24 I 4.5032 7.4178 112.5832 58.4922 39.9243 173.2437 25 P 4.7388 0.0000 0.0000 62.4024 32.0615 176.3493 26 D 4.7465 8.4981 124.1820 53.5848 38.6145 175.6249 27 Q 4.7111 7.5335 119.5234 52.8742 32.7879 173.8027 28 P 4.1674 0.0000 0.0000 64.2633 31.7428 176.5815 29 G 3.9496 8.8871 108.1008 46.7672 0.0000 175.7412 30 I 3.7525 7.5583 120.5822 64.3105 37.1893 178.3051 31 A 4.1671 8.0971 120.6603 54.7924 18.0351 179.4789 32 A 3.9285 7.9179 119.1558 55.3992 18.6912 179.7652 33 K 3.9069 7.6942 115.7534 59.5702 31.9341 179.4819 34 V 3.5441 7.8190 118.4119 66.4242 30.9695 178.2493 35 F 3.7841 8.5615 117.0754 59.8847 38.6694 177.5880 36 Q 3.9703 8.3222 119.7057 59.3280 28.4906 178.3073 37 A 4.0575 7.9724 121.3513 54.6628 18.4275 178.8555 38 L 4.0496 7.6557 116.1152 55.9745 41.8341 178.8172 39 A 4.1119 7.5011 120.7094 54.5158 18.8143 179.0286 40 E 3.8838 7.9156 115.8845 59.8622 29.6299 179.2371 41 R 4.0433 7.4960 115.7582 56.5266 31.0326 176.1732 42 G 3.7474 8.1786 105.8535 46.5599 0.0000 173.8262 43 I 4.2095 7.7729 117.3783 58.8184 39.8373 176.7421 44 A 3.9912 8.2617 128.0301 52.2534 18.7975 177.0213 45 V 4.2081 7.9346 120.1293 61.2261 32.5025 174.8151 46 D 4.5791 8.8741 128.6852 57.1166 41.7387 175.9166 47 M 5.0781 7.8982 115.1486 54.0564 37.0689 174.1086 48 I 5.0315 8.0766 118.1977 60.4600 41.3532 173.6428 49 I 4.8344 8.7140 128.1342 59.1605 41.9445 174.0880 50 Q 4.4484 10.0836 121.5014 54.9857 28.3337 179.5471 51 G 4.2865 8.3084 118.0440 46.2850 0.0000 173.2639 52 V 4.6119 7.4945 117.2169 59.0650 33.2353 172.4758 53 P 3.7840 0.0000 0.0000 66.7587 30.7847 175.8022 *57 P 4.4416 0.0000 0.0000 63.9046 33.9606 178.6585 58 S 4.4909 8.0191 117.4865 60.8347 63.4884 176.3064 59 R 5.0781 7.8755 117.0520 56.2261 32.0571 179.6737 60 Q 4.7158 9.0953 120.2975 56.2451 33.4482 172.7381 61 Q 5.0961 8.3225 116.1464 55.5213 31.8080 173.2649 62 M 5.3752 8.5965 120.2454 54.0085 37.3933 174.0918 63 A 4.4172 8.3685 115.9969 51.6797 22.8957 175.6752 64 F 5.6049 7.8556 116.9669 55.6647 42.2951 174.0073 65 T 5.1716 8.7449 109.5161 60.2140 71.4602 173.5466 66 V 5.0117 8.6407 119.7662 59.6503 36.6417 175.6839 67 K 4.5389 8.5203 121.9565 54.4356 31.9477 174.1064 68 K 3.9569 8.6349 120.8235 60.2038 32.3364 178.7853 69 D 4.7189 7.9958 114.8281 54.0134 39.2229 176.8181 70 F 4.5330 8.2580 117.3903 56.8539 41.3543 177.0180 71 A 4.1300 8.5276 123.5931 55.1784 18.0080 179.4206 72 Q 3.9030 8.0084 116.3367 59.1216 28.8892 178.1404 73 E 3.9223 8.2223 119.5465 59.5077 29.4762 178.6241 74 A 4.1522 8.0316 123.0399 55.6025 18.4110 180.1196 75 L 4.0291 8.0406 120.2293 59.2058 40.9779 181.3602 76 E 4.2390 8.0490 117.3334 59.7650 30.1261 178.6091 77 A 4.1959 8.1989 120.6928 54.7003 18.3005 179.1596 78 L 4.1948 7.9855 114.6299 54.3901 41.2031 175.6858 79 E 4.9735 7.3008 119.9507 53.8467 32.0298 173.0175 80 P 3.5301 0.0000 0.0000 66.2248 32.0703 177.4292 81 V 3.9122 6.9620 118.7175 63.4977 32.3572 177.8593 82 L 4.0678 8.0863 118.7156 57.8324 41.1378 178.9618 83 A 4.0242 7.4495 119.7342 55.3793 18.4036 179.0448 84 E 4.0525 8.0110 115.8801 58.9409 29.8604 178.2714 85 I 4.0788 8.3838 119.7252 63.3128 37.9555 175.0038 86 G 4.0578 9.1934 105.2919 44.2308 0.0000 174.3568 87 G 4.4357 8.9847 110.0142 45.3061 0.0000 172.1225 88 E 4.8581 7.9936 114.2346 54.3214 33.2758 174.9949 89 A 4.6852 8.5289 122.3855 52.2241 20.1893 177.7462 90 I 4.2569 7.9391 119.4596 60.0632 40.5935 174.6457 91 L 4.3929 8.4246 131.9191 56.0054 42.7941 178.0926 92 R 4.3166 8.6471 120.7970 55.2554 28.6716 176.0386 93 P 4.6561 0.0000 0.0000 64.0518 29.6685 178.3646 94 D 4.6727 9.4144 124.4306 54.8976 37.3422 173.7436 95 I 5.2011 7.2349 110.7431 59.8095 40.3794 174.5695 96 A 4.8179 9.5675 126.9313 50.1342 22.3012 175.6071 97 K 4.6947 8.5924 121.0031 54.7468 33.9528 175.3330 98 V 4.3306 8.4547 128.8189 62.0042 32.8203 174.8957 99 S 5.4368 9.4185 124.6456 56.7052 66.3735 173.2556 100 I 5.0045 8.8624 115.7353 59.3264 40.9187 174.6966 101 V 5.0013 8.7057 115.9188 58.0254 35.8873 176.1352 102 G 3.8913 7.5987 108.0554 45.8620 0.0000 171.7937 103 V 4.1656 7.9327 123.3157 60.8487 33.8002 176.4775 104 G 3.9740 8.5084 112.4978 46.6591 0.0000 173.1313 105 L 4.0459 8.6746 122.0591 57.5683 42.6869 180.0479 106 A 4.2230 7.8984 119.4840 54.7864 18.5311 178.5185 107 S 4.3062 7.4238 111.7037 60.4127 63.4351 174.6095 108 T 4.3731 7.2497 117.0557 61.0082 67.2584 173.3670 109 P 4.4164 0.0000 0.0000 64.3570 31.9527 178.5616 110 E 4.1982 8.0333 118.7484 58.3939 29.4104 178.7484 111 V 3.6898 7.9513 119.7046 65.4472 31.8570 176.1116 112 P 3.7231 0.0000 0.0000 65.4700 30.8302 178.0694 113 A 3.8657 7.4290 119.1402 55.0392 18.2636 179.7907 114 K 3.8282 7.7943 116.4984 59.5357 31.9768 179.2385 115 M 3.9768 7.8218 118.4210 58.9354 32.1898 178.4663 116 F 4.4814 7.1785 117.4614 60.3556 39.0771 177.6388 117 Q 3.9652 8.0025 119.0968 59.0830 28.6467 178.1337 118 A 4.0353 7.8475 122.1011 54.6466 18.5911 179.4090 119 V 3.6962 8.2392 116.9232 66.1403 31.5264 178.0340 120 A 4.0546 8.5644 120.5044 54.5880 18.2827 179.4380 121 S 4.0753 7.8485 114.0101 61.7461 62.6759 176.1128 122 T 4.5334 7.6773 110.0246 61.2165 69.0924 175.3356 123 G 3.7606 8.0802 109.7989 46.3279 0.0000 173.3387 124 A 2.8264 7.1423 121.6619 50.6007 19.0184 177.9342 125 N 4.2320 8.1377 121.9755 52.8850 38.7273 174.2845 126 I 3.9089 8.2051 128.0410 61.6767 36.8818 175.4415 127 E 4.6008 9.0010 124.3851 56.5422 31.5961 176.2510 128 M 4.9321 7.8181 118.7013 53.5171 36.7606 174.2471 129 I 4.8678 8.3193 121.2159 59.4931 41.1260 174.4782 130 A 4.7397 8.7485 127.9767 50.3026 21.7048 174.5161 131 T 5.0486 8.6694 117.3164 60.3933 69.7672 173.1895 132 S 4.7281 8.6435 121.4360 56.2581 66.5518 174.4689 133 E 3.7354 8.8644 119.3087 58.9312 29.1054 178.9666 134 V 4.2348 7.5885 116.8883 61.2039 34.3288 175.0160 135 R 4.7026 8.4439 121.6469 54.1922 31.6400 172.9418 136 I 5.0254 8.0963 125.2563 58.8972 40.4023 174.2660 137 S 5.1375 9.0947 123.5501 57.2948 66.6721 173.8187 138 V 4.7284 9.0368 117.3637 60.0512 34.5550 174.6315 139 I 5.1211 8.4277 123.4644 59.7078 39.4450 175.0997 140 I 5.2004 8.3873 119.2794 57.1437 41.8773 172.9318 141 P 4.7538 0.0000 0.0000 61.8937 32.1829 177.4912 142 A 4.0128 9.2863 126.6164 55.6169 18.3104 179.3934 143 E 4.1201 8.2807 109.8374 58.0306 29.5606 177.2195 144 Y 4.5857 8.1928 116.3541 57.9120 38.8960 176.7107 145 A 4.0439 8.3990 123.1849 55.6754 18.4553 179.7872 146 E 3.8956 8.0712 114.2280 59.4006 29.6533 179.6503 147 A 4.0595 8.0653 119.8365 54.8035 18.3890 179.4984 148 A 3.9661 8.2352 119.7105 55.1112 18.6596 179.2354 149 L 3.9698 8.2510 121.6067 59.3827 42.0445 180.2929 150 R 4.2767 7.9666 119.1243 60.9562 28.9868 180.4514 151 A 4.2306 7.2299 118.7353 55.3346 18.7958 179.5819 152 V 3.6306 7.8562 116.8214 66.2219 31.5939 177.4806 153 H 4.0776 8.7863 118.4001 59.6843 29.4044 176.6983 154 Q 4.0392 7.8296 119.2847 58.1367 29.0154 176.9248 155 A 4.1335 7.6021 120.0454 52.7171 19.4717 176.8953 156 F 5.0267 7.4074 116.0407 59.1262 40.1069 174.8779 157 E 4.1749 8.4649 124.3687 57.0308 29.5107 175.5690 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 6 A 8.12 4.31 1.18 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 7 V 7.29 4.31 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.16 0.00 0.00 8 T 8.49 4.43 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 1.17 0.00 0.00 9 G 8.50 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 0.00 0.00 0.00 10 V 7.81 4.55 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 0.83 0.00 0.00 0.97 0.00 0.00 11 A 8.69 4.55 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 12 L 9.28 4.04 0.00 1.78 1.70 0.97 1.20 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 13 D 7.07 4.40 0.00 2.73 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 14 L 8.02 4.17 0.00 1.83 1.71 1.05 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.34 4.49 0.00 2.60 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 16 H 8.63 4.73 0.00 3.23 3.13 0.00 5.65 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 7.93 4.74 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 18 Q 8.62 4.67 0.00 2.11 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 19 I 7.68 4.94 1.70 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.18 0.57 0.00 0.00 20 G 8.21 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 0.00 0.00 0.00 21 L 8.19 5.21 0.00 1.57 1.62 0.98 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.35 4.60 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.93 0.91 0.00 0.00 23 G 8.67 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.42 4.50 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.11 0.97 0.00 0.00 25 P 0.00 4.74 0.00 2.11 2.10 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 26 D 8.50 4.75 0.00 2.70 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 27 Q 7.53 4.71 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.37 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 28 P 0.00 4.17 0.00 2.03 2.02 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 29 G 8.89 3.95 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 0.00 30 I 7.56 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 1.61 0.48 0.96 0.00 0.00 31 A 8.10 4.17 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 32 A 7.92 3.93 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 33 K 7.69 3.91 0.00 2.01 1.89 0.00 1.70 0.00 0.00 1.59 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.68 7.81 34 V 7.82 3.54 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 0.85 0.00 0.00 1.06 0.00 0.00 35 F 8.56 3.78 0.00 3.23 3.05 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 36 Q 8.32 3.97 0.00 2.27 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 37 A 7.97 4.06 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 38 L 7.66 4.05 0.00 1.39 1.52 0.24 0.64 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 39 A 7.50 4.11 1.43 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 40 E 7.92 3.88 0.00 2.10 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 2.64 2.48 0.00 41 R 7.50 4.04 0.00 2.02 2.07 0.00 3.62 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.75 0.00 42 G 8.18 3.75 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 0.00 0.00 0.00 43 I 7.77 4.21 1.90 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.84 1.01 0.00 0.00 44 A 8.26 3.99 1.14 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 0.00 0.00 45 V 7.93 4.21 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 1.01 0.00 0.00 0.50 0.00 0.00 46 D 8.87 4.58 0.00 2.77 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 47 M 7.90 5.08 0.00 2.12 1.92 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 2.54 2.50 0.00 48 I 8.08 5.03 2.08 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.09 0.98 0.00 0.00 49 I 8.71 4.83 2.07 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 1.26 1.19 0.93 0.00 0.00 50 Q 10.08 4.45 0.00 2.03 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.20 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 51 G 8.31 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.49 4.61 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 0.72 0.00 0.00 0.93 0.00 0.00 53 P 0.00 3.78 0.00 2.06 1.91 0.00 3.71 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 2.33 2.16 0.00 *57 P 0.00 4.44 0.00 2.07 2.14 0.00 3.67 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 1.92 2.09 0.00 58 S 8.02 4.49 0.00 3.42 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 59 R 7.88 5.08 0.00 1.57 1.72 0.00 3.23 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.17 0.00 60 Q 9.10 4.72 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.66 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 61 Q 8.32 5.10 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.42 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 62 M 8.60 5.38 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.70 0.00 63 A 8.37 4.42 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 64 F 7.86 5.60 0.00 3.23 3.14 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 65 T 8.74 5.17 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 1.23 0.00 0.00 66 V 8.64 5.01 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 0.91 0.00 0.00 1.06 0.00 0.00 67 K 8.52 4.54 0.00 1.68 1.68 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.03 7.81 68 K 8.63 3.96 0.00 1.73 1.83 0.00 1.64 0.00 0.00 1.88 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.23 7.81 69 D 8.00 4.72 0.00 2.77 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 70 F 8.26 4.53 0.00 3.25 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 71 A 8.53 4.13 1.41 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 72 Q 8.01 3.90 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 73 E 8.22 3.92 0.00 1.89 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 2.38 2.34 0.00 74 A 8.03 4.15 1.54 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 75 L 8.04 4.03 0.00 1.77 1.62 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.05 4.24 0.00 2.25 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 2.32 2.46 0.00 77 A 8.20 4.20 1.41 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 78 L 7.99 4.19 0.00 1.90 1.73 1.00 0.65 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 79 E 7.30 4.97 0.00 1.92 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 80 P 0.00 3.53 0.00 2.23 1.88 0.00 3.64 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 2.12 2.17 0.00 81 V 6.96 3.91 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.95 0.00 0.00 82 L 8.09 4.07 0.00 1.91 1.82 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.45 4.02 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.01 4.05 0.00 1.98 2.19 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 2.30 2.40 0.00 85 I 8.38 4.08 1.92 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 1.70 0.98 0.93 0.00 0.00 86 G 9.19 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 0.00 0.00 0.00 87 G 8.98 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 0.00 0.00 0.00 0.00 88 E 7.99 4.86 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 2.24 2.24 0.00 89 A 8.53 4.69 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.94 4.26 1.82 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 1.09 0.48 0.88 0.00 0.00 91 L 8.42 4.39 0.00 1.60 1.53 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.65 4.32 0.00 2.06 1.87 0.00 3.31 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.20 0.00 93 P 0.00 4.66 0.00 2.18 1.37 0.00 3.71 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 94 D 9.41 4.67 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 95 I 7.23 5.20 1.88 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 1.16 1.08 0.98 0.00 0.00 96 A 9.57 4.82 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 97 K 8.59 4.69 0.00 1.76 1.80 0.00 1.87 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.41 7.81 98 V 8.45 4.33 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 1.06 0.00 0.00 0.99 0.00 0.00 99 S 9.42 5.44 0.00 3.76 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.86 5.00 1.78 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 1.39 0.96 1.01 0.00 0.00 101 V 8.71 5.00 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 1.07 0.00 0.00 1.02 0.00 0.00 102 G 7.60 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 0.00 103 V 7.93 4.17 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 0.73 0.00 0.00 0.91 0.00 0.00 104 G 8.51 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 0.00 105 L 8.67 4.05 0.00 1.67 1.66 0.85 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.90 4.22 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.42 4.31 0.00 4.05 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 0.00 108 T 7.25 4.37 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 1.28 0.00 0.00 109 P 0.00 4.42 0.00 2.22 2.31 0.00 3.69 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 2.07 1.99 0.00 110 E 8.03 4.20 0.00 2.09 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 2.40 2.42 0.00 111 V 7.95 3.69 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 0.91 0.00 0.00 0.90 0.00 0.00 112 P 0.00 3.72 0.00 2.14 2.22 0.00 3.84 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.03 0.00 113 A 7.43 3.87 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 114 K 7.79 3.83 0.00 2.02 1.52 0.00 1.74 0.00 0.00 1.29 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.53 7.81 115 M 7.82 3.98 0.00 1.71 2.08 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 2.72 2.74 0.00 116 F 7.18 4.48 0.00 3.17 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 0.00 117 Q 8.00 3.97 0.00 2.15 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 118 A 7.85 4.04 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 0.00 119 V 8.24 3.70 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 1.03 0.00 0.00 1.09 0.00 0.00 120 A 8.56 4.05 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 0.00 121 S 7.85 4.08 0.00 4.05 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 0.00 122 T 7.68 4.53 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 1.35 0.00 0.00 123 G 8.08 3.76 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 0.00 0.00 0.00 124 A 7.14 2.83 1.05 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 0.00 125 N 8.14 4.23 0.00 2.69 2.63 0.00 0.00 7.23 7.82 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 0.00 126 I 8.21 3.91 1.70 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 1.40 0.56 0.71 0.00 0.00 127 E 9.00 4.60 0.00 1.87 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 2.27 2.25 0.00 128 M 7.82 4.93 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 129 I 8.32 4.87 1.77 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.37 0.90 0.00 0.00 130 A 8.75 4.74 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 0.00 131 T 8.67 5.05 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 1.26 0.00 0.00 132 S 8.64 4.73 0.00 3.98 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 0.00 133 E 8.86 3.74 0.00 2.12 2.29 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 2.37 2.28 0.00 134 V 7.59 4.23 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 0.84 0.00 0.00 0.94 0.00 0.00 135 R 8.44 4.70 0.00 1.87 1.82 0.00 3.06 0.00 0.00 3.10 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 136 I 8.10 5.03 1.92 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.55 0.91 0.00 0.00 137 S 9.09 5.14 0.00 3.93 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 0.00 138 V 9.04 4.73 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 0.93 0.00 0.00 1.02 0.00 0.00 139 I 8.43 5.12 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.02 0.95 0.00 0.00 140 I 8.39 5.20 1.81 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.69 0.89 0.00 0.00 141 P 0.00 4.75 0.00 2.36 2.06 0.00 3.61 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.07 0.00 142 A 9.29 4.01 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 0.00 143 E 8.28 4.12 0.00 1.85 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 2.37 2.20 0.00 144 Y 8.19 4.59 0.00 2.98 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 A 8.40 4.04 1.41 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 0.00 146 E 8.07 3.90 0.00 2.07 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 2.40 2.45 0.00 147 A 8.07 4.06 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 0.00 148 A 8.24 3.97 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 0.00 149 L 8.25 3.97 0.00 1.93 1.84 0.96 1.34 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 0.00 150 R 7.97 4.28 0.00 1.88 1.93 0.00 3.32 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 151 A 7.23 4.23 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 0.00 152 V 7.86 3.63 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 1.17 0.00 0.00 0.98 0.00 0.00 153 H 8.79 4.08 0.00 3.42 3.32 0.00 5.83 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 0.00 154 Q 7.83 4.04 0.00 2.33 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.68 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 155 A 7.60 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 F 7.41 5.03 0.00 2.96 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 0.00 157 E 8.46 4.17 0.00 2.06 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 2.27 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.