NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4283 8.3344 115.4115 58.1992 64.4717 173.2070 -1 N 4.0367 8.3138 118.0032 55.7955 40.0008 172.5642 0 A 4.7490 7.5299 122.7992 50.0360 20.2038 175.5656 0 K 4.7490 7.5799 119.3992 53.7360 34.2038 174.3656 3 A 4.0697 8.7166 130.0102 51.4219 18.6588 175.6465 4 P 4.3395 0.0000 0.0000 62.1745 32.2125 176.5700 5 E 4.1506 8.7472 122.1500 56.3630 30.0714 177.2287 6 L 4.1605 8.5492 122.5874 55.1094 42.4372 176.9971 7 Q 4.5784 9.0958 122.6622 54.3904 30.3472 173.9247 8 I 4.5853 8.0407 124.3132 59.4117 38.8346 175.8146 9 Q 4.1878 9.0895 129.2290 58.3509 29.7044 176.0275 10 Q 4.5544 7.5952 118.0490 54.5886 32.6525 172.9183 11 W 5.2241 8.6854 125.3224 55.1646 31.2948 175.3310 12 F 4.8435 9.6676 122.7835 56.1659 41.6860 175.3492 13 N 4.5118 9.1865 116.0591 53.9137 35.9619 174.4587 14 S 4.5012 8.0108 110.6241 56.7658 65.4457 173.6688 15 A 4.1286 8.7771 131.0112 54.2986 18.4895 177.0099 16 T 4.5771 7.0003 103.3184 59.3721 71.5026 174.3643 17 D 4.4921 8.2759 121.8287 53.5388 39.4917 175.2801 18 L 4.0857 6.6350 124.7606 54.3646 42.3016 176.8377 19 T 4.8959 8.1601 111.6002 59.3774 72.0528 174.0100 20 L 4.0940 8.7276 122.0397 58.0519 42.2589 179.7125 21 A 4.0190 8.1831 120.9991 55.2670 18.5310 178.9573 22 D 4.3905 8.2420 115.0819 57.0789 41.1646 177.6642 23 L 4.5257 7.7362 116.7728 53.9776 42.0191 176.0628 24 R 4.0541 7.4259 119.3843 58.3126 30.1647 176.9008 25 G 4.0031 9.1852 113.8264 44.7952 0.0000 173.1358 26 K 4.7009 7.7857 118.8558 54.2078 35.5885 175.8009 27 V 4.0276 8.1799 122.7186 62.9708 32.9182 174.7795 28 I 4.8939 8.7362 128.1248 59.4597 40.1977 174.4425 29 V 4.7071 8.9666 127.1981 61.1202 33.9063 174.1440 30 I 4.8352 8.7542 128.9384 59.4928 40.2775 174.1214 31 E 4.9634 9.2962 129.1541 54.6615 31.0721 174.2784 32 A 5.2219 9.0300 131.0295 51.0226 20.4860 175.9499 33 F 5.1944 9.0454 116.8055 55.9011 41.9970 173.3722 34 Q 4.3837 8.4822 118.3664 55.4375 30.0968 177.4220 *36 L 3.9884 8.4765 125.1806 55.2116 43.5679 176.3752 37 C 4.3849 7.8572 120.7954 57.8499 31.9907 172.0515 38 P 4.3749 0.0000 0.0000 65.8410 31.3079 178.5528 39 G 3.7876 8.0786 103.9597 47.7788 0.0000 175.4103 40 C 4.2719 8.1107 118.5803 62.6936 28.0122 176.0525 41 V 3.6929 7.3146 114.6263 64.2682 30.9454 176.1070 *43 H 4.8831 8.1003 115.6990 55.8429 30.8130 175.8787 44 G 3.8959 8.1060 107.0641 47.5442 0.0000 175.8878 45 I 3.7723 8.1710 123.5379 63.4201 37.0406 176.7485 46 P 4.5250 0.0000 0.0000 64.7654 31.0331 178.3585 47 L 3.9360 8.0729 118.9218 58.1267 41.9925 178.7272 48 A 3.9107 8.0777 120.6556 55.4710 18.0069 179.6495 49 Q 4.1227 8.4600 116.4484 58.9967 28.7959 179.0957 50 K 4.0359 8.4614 119.9287 59.4526 32.0565 179.3773 51 V 3.7986 8.0697 118.6371 66.2581 31.2438 177.9893 52 R 3.9475 8.0564 116.8693 59.4721 29.9469 178.0054 53 A 4.1479 8.0876 119.5918 54.8252 18.5036 179.0689 54 A 3.9038 8.0451 118.3100 52.8417 18.9787 177.6617 55 F 4.8529 7.3292 115.0853 54.5860 42.3659 173.5473 56 P 4.5104 0.0000 0.0000 62.5030 31.8789 177.1764 57 E 4.0415 8.8536 120.0237 59.6169 29.5418 178.4659 58 D 4.5151 8.1064 116.9071 55.2509 40.2826 176.8648 59 K 4.4358 8.0795 118.4521 56.8257 34.6543 176.4506 60 V 4.8076 7.8023 118.9016 60.9179 34.1391 174.9907 61 A 4.5043 9.0384 130.6735 51.0713 20.4143 175.8965 62 V 4.6871 8.3237 121.4790 60.9872 33.8421 174.6710 63 L 5.2109 8.9743 127.5824 52.9979 45.6795 175.7682 64 G 4.8300 9.7307 109.7440 44.9133 0.0000 172.5453 65 L 5.1331 9.2352 124.4048 53.2367 45.3312 175.2565 66 H 4.2036 9.2831 129.0562 55.6870 30.1088 173.7640 67 T 4.7167 8.0353 117.8402 59.9809 68.3589 173.2388 68 V 3.8701 7.8987 128.2036 62.4785 31.3826 175.4331 69 F 5.4581 8.8691 121.0548 55.4403 38.5705 174.4620 70 E 4.3161 7.1728 117.5502 55.6806 32.4208 173.5718 71 H 4.0445 8.4835 112.9540 56.7203 26.6277 177.0144 72 H 4.0122 8.4988 116.5885 59.2274 28.7866 177.5038 73 E 4.0618 8.2170 115.9414 58.5416 29.3807 176.8135 74 A 4.3796 7.7486 121.9138 52.6109 19.3185 177.4166 *76 T 4.1718 7.6515 109.8672 62.4728 71.2261 171.8088 77 P 4.3222 0.0000 0.0000 65.4114 30.6644 178.8378 78 I 3.7505 7.4659 118.1781 64.8403 37.0333 178.5256 79 S 3.9907 7.9857 115.1492 61.1935 62.7089 176.2997 80 L 3.7997 8.0675 123.3454 57.7824 41.8217 178.6213 81 K 3.2232 8.0101 119.7008 59.5781 32.0449 178.5114 82 A 3.9979 7.5143 120.3450 54.9645 18.2240 179.1763 83 F 4.1912 8.4331 119.3599 61.6970 39.4701 177.3312 84 L 3.8243 8.2644 118.6316 57.8966 41.3809 179.0717 85 H 4.0380 8.0476 117.5563 59.3420 29.6804 177.0589 86 E 3.8713 8.3289 119.2770 59.5342 29.4452 178.3081 87 Y 3.8969 7.8159 113.2181 56.7531 38.7696 175.4795 88 R 3.5885 7.4729 118.3189 57.0024 28.3418 176.7609 89 I 3.9432 7.4981 117.3749 60.3144 37.9706 176.6706 90 K 4.4365 8.1784 123.6297 55.9089 33.7809 176.5521 91 F 4.6650 7.2781 113.6635 55.3565 39.0438 173.3394 92 P 4.9499 0.0000 0.0000 63.3866 32.5407 175.4293 93 V 5.2108 9.6093 123.7073 61.2403 34.8575 174.1289 94 G 3.4185 8.9872 115.4619 43.8195 0.0000 172.5791 95 V 4.1066 8.4639 125.8285 62.2785 32.6508 174.7095 96 D 4.5576 8.5041 129.0996 53.9077 41.6222 175.2550 97 Q 3.9290 8.8107 127.3847 56.0255 29.9199 174.6293 98 P 4.3115 0.0000 0.0000 63.1131 32.0523 176.6145 99 G 4.1123 8.1428 110.4629 44.3557 0.0000 172.8750 100 D 4.4622 8.8054 118.2603 56.9788 41.6218 176.8407 101 G 4.0922 7.5922 110.2161 45.0380 0.0000 174.9387 102 A 4.1981 8.3428 120.7313 51.4828 17.8723 175.4262 *104 P 4.7072 0.0000 0.0000 63.7529 32.8591 176.7641 105 R 4.1001 8.7688 117.5035 59.7206 30.2009 180.1180 106 T 4.2918 8.8160 113.6227 63.8462 67.9592 176.2190 *108 A 4.2059 8.1760 126.4150 52.2076 20.4265 179.8881 109 A 4.0035 8.1445 117.7743 54.9769 18.4768 177.8257 110 Y 4.1336 8.2090 111.0682 56.9969 38.4598 173.7381 111 Q 3.0066 7.7715 121.4823 56.2749 28.5244 174.1394 *113 R 3.8969 8.5397 120.0221 54.4924 32.1957 176.2224 114 G 3.5493 6.2048 103.0227 45.1439 0.0000 171.4526 115 T 5.0195 8.1776 109.2478 59.0272 71.9842 171.6038 116 P 4.9899 0.0000 0.0000 63.0835 33.0582 175.0726 117 S 5.4650 9.0960 117.4400 56.7659 67.1331 172.6678 118 L 5.1818 9.3652 124.8532 53.3651 44.8249 174.9321 119 L 5.2009 9.0137 126.4777 52.9536 44.7533 175.2803 120 L 5.1360 8.8997 123.1250 53.0191 44.4915 175.4131 121 I 5.0348 8.7054 125.1063 59.4192 40.5752 175.9238 122 D 5.0090 8.9253 126.8179 52.1409 40.9386 177.2829 123 K 4.2060 8.7644 116.3813 58.5093 32.0233 178.5401 124 A 4.2558 8.1511 119.3936 52.0456 19.2508 177.8280 125 G 3.9549 8.3990 105.0548 45.3240 0.0000 173.0942 126 D 4.8023 8.2067 119.9696 52.8357 41.8381 175.6603 127 L 4.5358 8.4025 125.2675 55.2437 42.5589 176.4532 128 R 4.7223 9.0754 124.0438 56.3330 32.6320 175.8797 129 A 4.6387 7.7090 119.1336 50.9074 22.9425 175.1449 130 H 4.9890 8.5807 120.2309 55.4050 32.2288 171.7986 131 H 5.1427 9.5847 124.0096 53.9350 31.3196 173.5648 132 F 5.3461 8.9213 124.5375 57.1359 41.1265 176.5000 133 G 3.4642 8.9426 113.4655 45.9045 0.0000 173.6695 134 D 4.3672 8.4618 124.0200 54.0925 41.4021 175.6294 135 V 4.2595 7.9611 123.0049 60.3838 34.0596 175.4355 136 S 4.1853 8.4684 121.1858 58.3211 63.1530 174.7444 137 E 4.0436 8.8539 129.2876 59.3405 29.2964 179.2548 138 L 3.9769 7.8651 118.6289 57.6839 41.7399 179.0865 139 L 3.9379 7.8088 120.0669 58.0901 41.9809 178.6649 140 L 4.0327 8.3674 120.8264 58.1489 42.0289 179.1312 141 G 3.7487 8.4507 105.5937 47.8332 0.0000 175.4508 142 A 4.0701 8.2043 123.2905 54.9365 18.3809 179.6672 143 E 3.9151 8.4306 117.1639 59.6295 29.4946 179.6158 144 I 3.5309 8.0079 119.9098 64.2362 37.0628 178.3633 145 A 4.0025 8.0610 121.5868 55.3679 17.9749 179.7651 146 T 3.8137 7.6938 113.2385 66.9289 68.7442 176.5697 147 L 4.1278 7.8775 120.7944 57.7632 41.3898 179.6181 148 L 4.1231 8.0814 118.4964 57.3436 41.6263 179.0712 149 G 3.7548 7.9602 103.7516 45.1977 0.0000 173.5478 150 E 4.3690 7.1881 120.6161 54.7292 30.7142 176.2171 151 A 3.9216 9.0399 124.1582 53.3011 18.9728 177.6841 152 A 4.1857 7.6424 122.7691 51.2725 18.5773 177.2434 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 -2 S 8.33 4.43 0.00 3.99 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 0.00 -1 N 8.31 4.04 0.00 2.77 2.88 0.00 0.00 6.59 7.08 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 A 7.53 4.75 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 0 K 7.58 4.75 0.00 1.59 1.20 0.00 0.61 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.29 7.81 3 A 8.72 4.07 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 4 P 0.00 4.34 0.00 1.64 1.83 0.00 2.43 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.81 0.00 5 E 8.75 4.15 0.00 2.00 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 2.36 2.37 0.00 6 L 8.55 4.16 0.00 1.80 1.69 1.18 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 9.10 4.58 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 8 I 8.04 4.59 1.75 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.54 0.07 0.00 0.00 9 Q 9.09 4.19 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.55 0.00 0.00 0.00 0.00 0.00 2.34 2.12 0.00 10 Q 7.60 4.55 0.00 2.03 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.66 0.00 0.00 0.00 0.00 0.00 1.74 2.15 0.00 11 W 8.69 5.22 0.00 3.15 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 12 F 9.67 4.84 0.00 3.05 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 13 N 9.19 4.51 0.00 3.16 3.15 0.00 0.00 6.66 7.57 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 14 S 8.01 4.50 0.00 3.70 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 15 A 8.78 4.13 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 16 T 7.00 4.58 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 1.16 0.00 0.00 17 D 8.28 4.49 0.00 2.71 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 18 L 6.63 4.09 0.00 0.27 1.13 0.35 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.16 4.90 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 1.27 0.00 0.00 20 L 8.73 4.09 0.00 1.79 1.83 1.10 0.99 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 21 A 8.18 4.02 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.24 4.39 0.00 2.86 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 23 L 7.74 4.53 0.00 1.83 1.65 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.43 4.05 0.00 1.88 1.86 0.00 3.36 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 25 G 9.19 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 26 K 7.79 4.70 0.00 1.81 1.67 0.00 1.65 0.00 0.00 1.57 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.33 7.81 27 V 8.18 4.03 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 0.97 0.00 0.00 0.87 0.00 0.00 28 I 8.74 4.89 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 1.11 0.85 0.92 0.00 0.00 29 V 8.97 4.71 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 1.00 0.00 0.00 0.82 0.00 0.00 30 I 8.75 4.84 1.78 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 1.14 0.63 0.86 0.00 0.00 31 E 9.30 4.96 0.00 2.06 1.89 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 2.28 2.47 0.00 32 A 9.03 5.22 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 33 F 9.05 5.19 0.00 3.21 3.18 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 34 Q 8.48 4.38 0.00 2.03 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.68 0.00 0.00 0.00 0.00 0.00 2.13 2.32 0.00 *36 L 8.48 3.99 0.00 1.55 1.66 0.83 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 37 C 7.86 4.38 0.00 3.01 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 38 P 0.00 4.37 0.00 2.08 2.13 0.00 3.75 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.17 0.00 39 G 8.08 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 0.00 0.00 0.00 40 C 8.11 4.27 0.00 3.35 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 41 V 7.31 3.69 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 0.81 0.00 0.00 0.95 0.00 0.00 *43 H 8.10 4.88 0.00 3.40 3.35 0.00 5.67 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.11 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.17 3.77 1.86 0.00 0.00 0.58 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 0.27 0.88 0.00 0.00 46 P 0.00 4.53 0.00 2.18 2.13 0.00 3.99 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.03 0.00 47 L 8.07 3.94 0.00 1.89 1.93 0.94 1.10 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 48 A 8.08 3.91 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 49 Q 8.46 4.12 0.00 2.36 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.62 2.83 0.00 50 K 8.46 4.04 0.00 1.99 1.89 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.62 7.81 51 V 8.07 3.80 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 1.04 0.00 0.00 1.05 0.00 0.00 52 R 8.06 3.95 0.00 1.82 2.19 0.00 3.43 0.00 0.00 3.51 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.79 0.00 53 A 8.09 4.15 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 54 A 8.05 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 7.33 4.85 0.00 3.00 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 56 P 0.00 4.51 0.00 2.45 2.21 0.00 3.93 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 2.15 2.05 0.00 57 E 8.85 4.04 0.00 2.00 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 2.36 2.28 0.00 58 D 8.11 4.52 0.00 2.79 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 59 K 8.08 4.44 0.00 1.78 1.89 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.80 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.44 7.81 60 V 7.80 4.81 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.73 0.00 0.00 61 A 9.04 4.50 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 62 V 8.32 4.69 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 0.12 0.00 0.00 0.84 0.00 0.00 63 L 8.97 5.21 0.00 1.71 1.82 1.10 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 64 G 9.73 4.83 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 65 L 9.24 5.13 0.00 1.71 1.51 0.83 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 66 H 9.28 4.20 0.00 2.88 3.00 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.04 4.72 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 1.17 0.00 0.00 68 V 7.90 3.87 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 0.67 0.00 0.00 0.54 0.00 0.00 69 F 8.87 5.46 0.00 3.13 3.01 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 70 E 7.17 4.32 0.00 1.62 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 1.47 1.85 0.00 71 H 8.48 4.04 0.00 3.18 3.25 0.00 5.64 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 H 8.50 4.01 0.00 3.07 3.37 0.00 5.90 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 73 E 8.22 4.06 0.00 1.96 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 2.32 2.32 0.00 74 A 7.75 4.38 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 *76 T 7.65 4.17 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 1.27 0.00 0.00 77 P 0.00 4.32 0.00 2.33 2.57 0.00 3.66 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 2.18 2.28 0.00 78 I 7.47 3.75 1.90 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 1.57 0.90 0.94 0.00 0.00 79 S 7.99 3.99 0.00 3.95 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.07 3.80 0.00 1.56 1.57 0.67 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.01 3.22 0.00 1.93 1.96 0.00 1.91 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.60 7.81 82 A 7.51 4.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 F 8.43 4.19 0.00 3.18 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 L 8.26 3.82 0.00 1.63 1.63 0.78 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 85 H 8.05 4.04 0.00 3.18 3.43 0.00 5.60 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 86 E 8.33 3.87 0.00 1.87 1.76 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 2.48 2.53 0.00 87 Y 7.82 3.90 0.00 2.36 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 88 R 7.47 3.59 0.00 1.83 1.87 0.00 3.05 0.00 0.00 3.14 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.42 0.00 89 I 7.50 3.94 1.58 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.45 -0.05 0.00 0.00 90 K 8.18 4.44 0.00 1.71 1.82 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.31 7.81 91 F 7.28 4.66 0.00 3.28 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 92 P 0.00 4.95 0.00 2.30 2.05 0.00 3.97 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.30 0.00 93 V 9.61 5.21 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 1.16 0.00 0.00 1.21 0.00 0.00 94 G 8.99 3.42 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 0.00 95 V 8.46 4.11 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 0.79 0.00 0.00 1.11 0.00 0.00 96 D 8.50 4.56 0.00 2.70 2.52 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 0.00 0.00 0.00 0.00 97 Q 8.81 3.93 0.00 2.29 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 98 P 0.00 4.31 0.00 2.06 1.98 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 99 G 8.14 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 0.00 100 D 8.81 4.46 0.00 2.67 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 0.00 101 G 7.59 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 0.00 102 A 8.34 4.20 1.44 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 *104 P 0.00 4.71 0.00 2.50 2.12 0.00 3.79 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 105 R 8.77 4.10 0.00 1.88 2.11 0.00 3.18 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 106 T 8.82 4.29 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 1.23 0.00 0.00 *108 A 8.18 4.21 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 0.00 109 A 8.14 4.00 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 0.00 110 Y 8.21 4.13 0.00 3.01 3.02 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 0.00 0.00 0.00 111 Q 7.77 3.01 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.54 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 *113 R 8.54 3.90 0.00 0.67 1.28 0.00 3.27 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.38 0.00 114 G 6.20 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.18 5.02 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 1.40 0.00 0.00 116 P 0.00 4.99 0.00 2.31 2.36 0.00 3.68 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 2.10 2.06 0.00 117 S 9.10 5.46 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 0.00 118 L 9.37 5.18 0.00 1.68 1.57 0.98 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 119 L 9.01 5.20 0.00 1.47 1.50 0.66 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.90 5.14 0.00 1.55 1.54 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.71 5.03 1.89 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.87 0.94 0.00 0.00 122 D 8.93 5.01 0.00 2.88 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 0.00 123 K 8.76 4.21 0.00 1.83 1.90 0.00 2.03 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.64 1.38 7.81 124 A 8.15 4.26 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 0.00 125 G 8.40 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 0.00 126 D 8.21 4.80 0.00 3.08 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.40 4.54 0.00 1.63 1.60 1.13 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 128 R 9.08 4.72 0.00 1.64 1.92 0.00 3.39 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 129 A 7.71 4.64 1.15 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 0.00 0.00 130 H 8.58 4.99 0.00 3.14 3.14 0.00 5.72 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 H 9.58 5.14 0.00 3.12 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 F 8.92 5.35 0.00 2.90 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.94 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.46 4.37 0.00 2.59 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.96 4.26 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 0.67 0.00 0.00 0.95 0.00 0.00 136 S 8.47 4.19 0.00 3.91 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 0.00 137 E 8.85 4.04 0.00 2.06 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 2.42 2.41 0.00 138 L 7.87 3.98 0.00 1.69 1.73 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.81 3.94 0.00 1.78 1.82 0.94 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.37 4.03 0.00 1.80 1.72 0.92 0.93 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 0.00 141 G 8.45 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 0.00 142 A 8.20 4.07 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 0.00 143 E 8.43 3.92 0.00 2.19 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 2.35 2.54 0.00 144 I 8.01 3.53 1.50 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.61 0.08 0.00 0.00 145 A 8.06 4.00 1.45 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 0.00 0.00 146 T 7.69 3.81 4.38 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 1.21 0.00 0.00 147 L 7.88 4.13 0.00 1.78 1.68 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 148 L 8.08 4.12 0.00 1.77 1.74 0.87 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 149 G 7.96 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 0.00 150 E 7.19 4.37 0.00 2.02 1.88 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 2.31 2.46 0.00 151 A 9.04 3.92 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 0.00 152 A 7.64 4.19 1.26 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.