NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3828 0.0000 0.0000 61.7879 32.7773 176.0317 3 K 3.9644 8.2554 119.5783 55.3517 32.8633 176.2119 4 A 4.1164 9.1006 123.7242 52.1355 21.0532 178.0283 5 N 4.1913 8.7953 120.7633 56.6227 38.6396 177.6253 6 L 3.8314 7.8057 120.8283 57.9684 42.2538 178.3538 7 E 3.7772 8.0048 118.7215 59.2577 29.4096 178.6027 8 I 3.5660 7.4737 118.3645 64.5751 37.5037 178.2486 9 I 3.4264 7.7610 120.6403 64.2571 36.7768 178.6069 10 R 3.9241 8.0143 119.3971 59.2585 29.9993 178.8890 11 S 4.2490 8.0591 113.2262 60.3642 62.7681 175.4675 12 T 4.3767 7.6847 112.2635 62.5931 69.0884 174.6400 13 Y 4.8397 8.2100 118.2298 59.3032 40.4472 176.4236 14 E 4.3414 8.5745 116.3737 57.1300 30.1628 176.2371 15 G 4.2623 8.3443 108.2791 42.9725 0.0000 173.8193 16 S 4.3770 8.3779 113.8879 57.9664 64.8080 174.7023 17 A 4.0451 8.5833 123.7065 55.4531 18.1206 180.0622 18 S 4.0431 8.0091 112.4573 61.6275 62.6758 176.7012 19 S 4.0512 7.9169 117.9233 60.7692 62.8198 176.0853 20 N 4.5656 8.7172 121.5953 55.6013 38.2578 177.1550 21 A 3.7225 8.0772 122.1052 54.7408 18.4421 179.4703 22 K 3.7393 7.7847 117.9318 60.1562 32.0625 178.7603 23 H 4.4417 8.0595 115.2866 58.6390 28.8662 177.3755 24 L 4.0314 8.1455 122.1624 58.1334 41.5385 178.7810 25 A 3.9380 8.0340 120.8483 55.3792 18.0570 179.5076 26 E 3.6607 8.2373 115.6481 58.7016 29.7715 177.9134 27 A 4.4828 7.8071 120.6505 52.4474 20.1486 176.9077 28 L 4.5381 7.2719 116.8232 54.3535 42.0957 177.4797 29 S 4.4562 8.8756 118.2739 57.8241 63.8075 175.1142 30 E 4.0454 8.8621 121.5401 59.1475 29.2794 178.2255 31 K 4.4766 7.9227 115.2172 56.2480 33.2100 176.6553 32 V 4.0931 7.7426 120.6002 62.8854 32.5943 174.8121 33 E 5.2407 9.2660 122.9127 54.3523 32.7417 174.5268 34 W 5.1877 9.6350 135.0000 55.9316 33.6900 174.0005 35 T 5.1178 8.9165 124.7988 61.9533 70.4004 173.4523 36 E 4.8338 9.3109 126.7800 54.8143 31.6897 176.2979 37 A 4.1535 9.2558 126.8028 52.2061 19.1396 178.2953 38 E 3.9385 9.0069 122.9997 59.3173 29.6698 178.3582 39 G 3.8157 7.9484 104.6297 46.4331 0.0000 173.5397 40 F 4.4067 8.1078 123.3027 56.8684 40.0200 174.3062 41 P 4.0140 0.0000 0.0000 65.3134 30.9633 176.5982 42 Y 4.9904 7.0994 114.7771 57.3200 38.2650 175.6779 43 G 3.8857 8.0976 109.0077 45.8141 0.0000 174.0977 44 G 4.1309 7.2520 109.6331 43.9016 0.0000 171.3260 45 T 4.8526 7.3490 116.4314 61.6813 70.8270 173.8521 46 Y 4.8385 9.1122 123.6708 56.2008 41.4792 174.5372 47 I 4.7786 8.8039 124.6282 60.9126 39.1515 176.5367 48 G 4.1970 9.4068 113.1566 45.4324 0.0000 174.4570 49 V 3.5365 8.2506 119.8219 64.4454 31.7201 177.2907 50 E 3.9445 8.3321 119.9351 58.9175 29.8986 177.6277 51 A 4.0677 8.0395 121.1681 55.3443 18.8182 179.6983 52 I 3.1548 7.5503 112.5331 62.4631 36.7447 177.3965 *54 E 4.0640 8.2177 122.5519 56.0601 30.8009 176.4638 55 N 4.2944 7.5652 113.2427 53.4608 38.8249 174.6001 56 V 3.8245 6.4689 115.4890 63.4836 34.8553 177.2950 57 F 3.8993 7.6833 117.5239 60.4580 39.4203 177.6779 58 S 4.1219 7.8866 113.4650 61.4151 62.6887 176.6040 59 R 3.9497 7.3912 122.4181 57.9946 29.6647 178.5131 60 L 4.1110 7.7405 118.4619 57.6767 41.5947 179.6490 61 G 3.8016 8.0632 104.9772 47.8804 0.0000 175.6306 62 S 4.4100 8.3040 116.7630 59.7061 63.3992 174.9735 63 E 4.3874 8.5700 120.3953 55.9828 30.7016 175.7487 64 W 5.5496 8.1283 118.1672 54.9451 33.7256 174.0840 65 N 4.8615 9.6476 120.4233 52.4833 39.9713 175.3696 66 D 4.6175 9.0417 123.3443 55.2665 38.5546 173.4426 67 Y 4.3242 8.3605 119.4099 57.9734 39.7173 175.1206 68 K 4.8683 8.6793 126.6271 54.7777 36.4187 174.5183 69 A 5.3438 9.1308 128.3144 50.6902 21.2036 175.5682 70 S 4.7868 8.8632 118.7011 57.3893 65.4017 173.6616 71 V 3.9837 8.3157 125.3605 61.8264 32.0245 175.0902 72 N 4.5882 8.5653 124.6051 53.6619 39.2615 174.3356 *74 Y 4.5195 7.7007 116.1419 58.1912 39.3231 174.1217 75 H 5.0423 9.3553 120.9115 53.8991 32.2415 172.1737 76 E 5.0846 8.8147 123.6263 54.2806 32.0331 175.1877 77 V 3.9509 8.4943 127.3966 62.1510 32.8420 175.6219 78 S 4.2624 8.8530 124.3486 60.2682 63.0707 174.4861 79 G 3.9810 9.0437 111.9739 45.9217 0.0000 173.0117 80 K 4.6735 7.7763 116.5872 54.6918 36.6868 176.4470 81 D 4.8463 8.3678 121.5550 53.7080 39.3773 176.3616 82 V 4.9778 7.4503 118.5361 61.1818 35.7258 174.8117 83 I 5.2081 9.0094 128.0060 59.6001 40.5629 174.4093 84 I 5.2274 9.1830 127.2097 59.5052 40.2540 174.1781 85 A 4.8848 9.2941 129.1418 50.1241 21.7130 174.7399 86 E 4.6415 8.3143 121.9480 53.8138 31.8556 173.6450 87 G 3.6001 7.4747 115.0177 46.7229 0.0000 174.5623 *89 Y 5.4648 8.5736 122.9348 57.9332 39.6021 172.8941 90 S 4.4297 7.9199 115.0273 55.7188 67.3779 173.0769 91 G 4.4736 7.0104 108.5400 46.5591 0.0000 171.1502 92 V 5.3695 8.2483 119.7694 61.0349 34.4342 174.0890 93 Y 4.0603 9.2901 129.9094 56.7802 39.0958 176.1310 94 K 3.8414 8.1858 127.6662 59.6762 32.3384 179.2570 95 D 4.2314 6.9180 117.0829 56.4456 40.8732 177.1105 96 T 4.2765 7.2227 104.5316 60.6765 70.1208 175.7860 97 G 3.9267 8.3970 109.4858 45.6035 0.0000 173.1808 98 K 4.5920 7.9537 120.0297 55.4933 33.4701 176.5278 99 S 5.5555 8.7634 119.2132 57.5484 65.2366 172.8966 100 F 5.1789 8.9291 115.0395 55.6495 41.7736 172.9457 101 E 4.8278 8.7604 117.4286 54.6666 33.1208 175.1994 102 A 4.8830 8.7702 124.4339 50.5962 22.8100 175.8779 103 E 4.3992 9.0251 122.1007 56.2169 31.0079 175.9187 104 F 5.4581 8.6216 117.9911 55.1202 42.2010 173.5859 105 V 4.9335 8.9739 118.9190 61.5571 34.8535 173.6921 106 H 5.1424 9.5211 124.7642 53.9502 31.7239 173.2226 107 V 4.5149 8.0996 123.5161 61.0644 33.4674 174.1561 108 W 5.3653 9.4760 128.7202 55.0021 31.8752 174.8711 109 Q 5.2613 9.3485 124.9856 54.3948 31.5807 174.1361 110 L 5.4794 8.9311 124.5953 53.0484 45.9558 175.9623 111 E 4.4884 9.0425 120.1716 55.7300 32.5031 176.0025 112 N 4.2116 10.0830 124.2678 54.6610 37.3728 174.6277 113 G 3.9971 8.4614 102.8638 45.2206 0.0000 173.2864 114 K 4.7828 7.9143 119.0058 54.1665 35.0868 175.2757 115 I 4.5443 8.8944 124.5183 61.6646 37.6660 176.8660 116 V 4.3234 9.1785 120.3787 61.0411 34.2123 175.9976 117 K 5.6083 7.9292 118.0716 54.3283 36.8769 175.0745 118 F 4.6954 8.5062 124.2258 56.1871 43.1484 173.0911 119 K 4.3411 7.1750 125.6906 54.5243 35.3584 174.3498 120 Q 4.4978 8.1702 129.2466 54.9071 30.4035 174.1293 121 Y 4.9124 9.0526 124.3438 56.2100 40.9121 175.0928 122 V 4.9226 8.2430 121.7758 59.3116 34.6031 175.3514 123 D 4.7964 8.8572 123.5019 53.9621 37.5616 177.1441 124 S 4.3478 8.1326 118.7265 61.0854 63.5523 175.8383 125 H 4.1265 8.3843 121.8507 59.4699 29.3169 176.9813 126 L 4.0265 7.7065 119.2113 57.4592 41.5732 179.4039 127 V 3.0808 7.6779 117.8670 65.9741 31.3591 178.2023 128 R 3.7381 7.8377 116.5060 59.2076 29.8890 178.6333 129 E 4.0592 8.0578 117.5738 58.8044 29.6827 179.4417 130 A 4.2446 7.4233 121.7254 50.7854 18.8122 177.4721 *132 K 3.9867 7.6032 119.8641 57.4945 33.6219 176.7193 133 S 4.3202 8.6000 117.5310 58.9472 62.7745 174.1487 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 P 0.00 4.38 0.00 2.06 2.05 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.12 0.00 3 K 8.26 3.96 0.00 1.79 1.70 0.00 1.86 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.41 7.81 4 A 9.10 4.12 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 5 N 8.80 4.19 0.00 2.74 2.91 0.00 0.00 6.68 6.74 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 6 L 7.81 3.83 0.00 1.71 1.59 0.75 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.00 3.78 0.00 2.00 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 2.30 2.33 0.00 8 I 7.47 3.57 1.93 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 1.47 0.74 0.83 0.00 0.00 9 I 7.76 3.43 1.71 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.67 0.52 0.00 0.00 10 R 8.01 3.92 0.00 1.62 1.78 0.00 2.83 0.00 0.00 2.92 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.17 0.00 11 S 8.06 4.25 0.00 3.86 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 7.68 4.38 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 1.04 0.00 0.00 13 Y 8.21 4.84 0.00 3.10 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.57 4.34 0.00 2.04 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 2.65 2.31 0.00 15 G 8.34 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 0.00 0.00 0.00 0.00 16 S 8.38 4.38 0.00 4.09 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 17 A 8.58 4.05 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 18 S 8.01 4.04 0.00 4.04 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.92 4.05 0.00 3.88 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 20 N 8.72 4.57 0.00 2.95 3.03 0.00 0.00 6.67 7.60 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 21 A 8.08 3.72 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 22 K 7.78 3.74 0.00 1.78 1.82 0.00 1.60 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.44 7.81 23 H 8.06 4.44 0.00 3.30 3.28 0.00 5.73 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.15 4.03 0.00 1.70 1.60 1.22 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.03 3.94 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 26 E 8.24 3.66 0.00 2.15 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 2.46 0.00 27 A 7.81 4.48 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 28 L 7.27 4.54 0.00 1.63 1.71 0.88 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.88 4.46 0.00 4.05 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 30 E 8.86 4.05 0.00 2.01 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 2.34 2.27 0.00 31 K 7.92 4.48 0.00 1.90 1.93 0.00 1.63 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.47 7.81 32 V 7.74 4.09 2.46 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 1.03 0.00 0.00 1.30 0.00 0.00 33 E 9.27 5.24 0.00 1.99 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 2.28 2.42 0.00 34 W 9.63 5.19 0.00 3.56 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 35 T 8.92 5.12 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 1.09 0.00 0.00 36 E 9.31 4.83 0.00 2.28 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 2.82 2.93 0.00 37 A 9.26 4.15 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 38 E 9.01 3.94 0.00 1.93 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 2.31 2.33 0.00 39 G 7.95 3.82 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 0.00 0.00 0.00 40 F 8.11 4.41 0.00 3.02 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 41 P 0.00 4.01 0.00 1.35 1.71 0.00 2.20 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.18 0.00 42 Y 7.10 4.99 0.00 3.18 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 43 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 44 G 7.25 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.35 4.85 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 1.19 0.00 0.00 46 Y 9.11 4.84 0.00 2.93 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 I 8.80 4.78 1.93 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 1.34 0.62 0.96 0.00 0.00 48 G 9.41 4.20 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 0.00 49 V 8.25 3.54 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 0.70 0.00 0.00 0.84 0.00 0.00 50 E 8.33 3.94 0.00 1.92 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 2.25 2.28 0.00 51 A 8.04 4.07 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 52 I 7.55 3.15 1.73 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.63 -0.12 0.00 0.00 *54 E 8.22 4.06 0.00 1.91 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 2.07 2.24 0.00 55 N 7.57 4.29 0.00 1.62 2.13 0.00 0.00 6.80 6.96 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 56 V 6.47 3.82 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.57 0.00 0.00 57 F 7.68 3.90 0.00 2.92 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 58 S 7.89 4.12 0.00 3.97 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 7.39 3.95 0.00 0.84 1.36 0.00 3.14 0.00 0.00 2.71 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.29 0.00 60 L 7.74 4.11 0.00 1.62 1.42 0.46 -0.21 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 61 G 8.06 3.80 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 0.00 62 S 8.30 4.41 0.00 4.05 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.57 4.39 0.00 2.16 1.72 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 2.17 2.36 0.00 64 W 8.13 5.55 0.00 3.50 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 N 9.65 4.86 0.00 2.73 2.83 0.00 0.00 7.19 8.11 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 66 D 9.04 4.62 0.00 2.92 2.83 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 67 Y 8.36 4.32 0.00 3.14 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.68 4.87 0.00 2.09 1.56 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.32 1.26 7.81 69 A 9.13 5.34 1.61 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 0.00 0.00 70 S 8.86 4.79 0.00 3.77 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 71 V 8.32 3.98 1.53 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 -0.50 0.00 0.00 -0.00 0.00 0.00 72 N 8.57 4.59 0.00 2.44 2.65 0.00 0.00 7.05 7.33 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 *74 Y 7.70 4.52 0.00 2.82 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 75 H 9.36 5.04 0.00 3.16 3.17 0.00 5.57 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.81 5.08 0.00 1.98 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 2.21 2.30 0.00 77 V 8.49 3.95 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 0.89 0.00 0.00 0.96 0.00 0.00 78 S 8.85 4.26 0.00 3.90 3.82 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 79 G 9.04 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 0.00 0.00 0.00 80 K 7.78 4.67 0.00 1.75 1.69 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.54 7.81 81 D 8.37 4.85 0.00 2.68 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 82 V 7.45 4.98 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.98 0.00 0.00 83 I 9.01 5.21 2.03 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 1.30 0.85 1.15 0.00 0.00 84 I 9.18 5.23 1.96 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 1.22 0.94 0.93 0.00 0.00 85 A 9.29 4.88 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 86 E 8.31 4.64 0.00 1.70 1.61 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 2.21 2.26 0.00 87 G 7.47 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *89 Y 8.57 5.46 0.00 3.28 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 90 S 7.92 4.43 0.00 3.61 3.67 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 91 G 7.01 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.25 5.37 2.26 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 1.01 0.00 0.00 1.06 0.00 0.00 93 Y 9.29 4.06 0.00 2.50 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 94 K 8.19 3.84 0.00 1.49 1.65 0.00 1.65 0.00 0.00 1.56 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.42 7.81 95 D 6.92 4.23 0.00 2.25 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 96 T 7.22 4.28 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 1.37 0.00 0.00 97 G 8.40 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 98 K 7.95 4.59 0.00 2.07 1.84 0.00 1.91 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.59 7.81 99 S 8.76 5.56 0.00 3.93 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 0.00 100 F 8.93 5.18 0.00 3.19 3.28 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 0.00 101 E 8.76 4.83 0.00 1.80 1.78 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 2.04 2.18 0.00 102 A 8.77 4.88 1.66 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 0.00 103 E 9.03 4.40 0.00 1.91 1.78 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 2.38 2.21 0.00 104 F 8.62 5.46 0.00 2.99 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 0.00 105 V 8.97 4.93 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 1.00 0.00 0.00 0.82 0.00 0.00 106 H 9.52 5.14 0.00 3.40 2.71 0.00 5.65 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.10 4.51 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 0.98 0.00 0.00 0.96 0.00 0.00 108 W 9.48 5.37 0.00 3.46 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 0.00 109 Q 9.35 5.26 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 110 L 8.93 5.48 0.00 1.55 1.63 1.07 1.06 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 0.00 111 E 9.04 4.49 0.00 1.99 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 2.25 2.25 0.00 112 N 10.08 4.21 0.00 2.77 2.82 0.00 0.00 7.35 7.98 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 0.00 113 G 8.46 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 0.00 114 K 7.91 4.78 0.00 1.82 1.73 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.53 7.81 115 I 8.89 4.54 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 1.40 0.67 1.46 0.00 0.00 116 V 9.18 4.32 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 1.14 0.00 0.00 1.04 0.00 0.00 117 K 7.93 5.61 0.00 1.66 1.62 0.00 1.92 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.36 7.81 118 F 8.51 4.70 0.00 2.03 1.68 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 0.00 119 K 7.18 4.34 0.00 1.50 1.23 0.00 1.49 0.00 0.00 1.51 0.00 0.00 2.69 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.54 0.85 7.81 120 Q 8.17 4.50 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.35 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 121 Y 9.05 4.91 0.00 2.97 2.80 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 0.00 122 V 8.24 4.92 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 0.67 0.00 0.00 1.37 0.00 0.00 123 D 8.86 4.80 0.00 2.86 2.76 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 0.00 124 S 8.13 4.35 0.00 4.33 4.27 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 0.00 125 H 8.38 4.13 0.00 3.27 3.41 0.00 5.87 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 0.00 126 L 7.71 4.03 0.00 1.93 1.89 1.17 1.30 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 0.00 127 V 7.68 3.08 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 0.52 0.00 0.00 0.89 0.00 0.00 128 R 7.84 3.74 0.00 1.88 1.89 0.00 3.28 0.00 0.00 3.04 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 129 E 8.06 4.06 0.00 2.04 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 2.21 2.27 0.00 130 A 7.42 4.24 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *132 K 7.60 3.99 0.00 1.86 1.78 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.59 7.81 133 S 8.60 4.32 0.00 3.86 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 * Residues marked with a * may have inaccurate shift predictions.