NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.3161 8.3449 121.7120 55.8922 29.9840 174.1914 4 L 4.6195 8.0726 123.8627 53.3308 46.3768 174.8986 5 T 4.5364 8.6693 111.9796 61.2695 69.1651 173.0679 6 L 4.1418 7.6247 123.0331 54.6698 43.0947 177.6740 7 D 4.5561 8.3727 120.6816 52.7434 40.1309 177.2386 8 K 3.9088 8.6335 121.6377 59.2073 32.3858 177.4591 9 T 4.3977 7.7132 113.8607 64.6359 70.1970 175.9984 10 D 4.3153 8.1822 120.7912 57.2060 40.9962 178.2849 11 I 3.6670 7.7346 119.9462 64.1875 37.2089 177.6028 12 K 4.0611 7.9714 121.0492 58.9733 31.8363 177.8543 13 I 3.6378 7.8850 118.7406 64.6190 37.8504 177.6594 14 L 4.0392 7.5767 118.4930 57.3480 40.9443 179.6446 15 Q 3.9508 8.0912 118.4851 58.9472 28.6739 178.7440 16 V 3.7109 8.2201 119.6211 66.0312 31.2366 177.8753 17 L 4.1209 8.2629 120.1706 58.0255 41.7075 178.7458 18 Q 4.1453 7.9270 116.6481 57.9277 28.5998 177.3979 19 E 4.5898 7.3904 118.8840 56.4821 31.8801 175.9860 20 N 4.9689 8.4078 117.1877 51.2727 38.7365 174.9933 21 G 3.8961 8.2822 108.0546 46.8685 0.0000 171.7809 22 R 4.3562 7.7660 118.5174 55.5566 30.5173 175.8879 23 L 4.0583 7.2325 116.8967 56.0515 42.5114 176.6462 24 T 4.3768 7.9888 111.1692 60.3278 70.3894 175.3478 25 N 4.2156 8.9099 123.0408 57.1446 38.4956 176.9501 26 V 3.5864 7.6945 118.0338 66.1268 31.5191 177.4301 27 E 4.0959 8.6270 118.5688 59.2237 29.3705 178.8809 28 L 3.9699 7.9606 119.9063 58.4874 42.1343 179.0780 29 S 4.1784 8.1465 114.8383 61.5787 62.6036 175.8359 30 E 4.3375 7.7431 117.3513 57.4046 29.3674 177.9555 31 R 4.4781 7.7587 117.4746 56.5942 31.7926 177.5901 32 V 4.1090 7.6949 108.5180 59.6036 33.2939 174.9990 33 A 3.6450 7.8229 120.2612 53.6270 16.0414 175.7293 34 L 4.7541 7.3762 119.8304 52.5720 45.2633 176.7849 35 S 4.3417 8.2002 113.5277 57.5128 62.7799 173.0321 36 P 4.6737 0.0000 0.0000 64.3436 31.8229 178.0580 37 S 4.3780 7.8679 111.4636 60.3414 62.6859 174.0602 38 P 4.3921 0.0000 0.0000 65.1380 30.4953 177.9866 39 C 4.2376 8.0735 115.3692 61.6554 28.2503 174.3219 40 L 4.4017 7.8037 120.2413 55.4989 41.8855 177.9510 41 R 3.9616 7.5777 118.2224 59.9271 30.2768 177.8129 42 R 3.9120 8.1035 117.6699 59.3010 30.1960 178.9886 43 L 3.9425 7.7403 118.8675 58.4285 42.0934 178.6456 44 K 3.9164 7.6573 117.5472 59.9516 31.7685 178.4927 45 Q 4.0135 7.9417 117.4231 59.2951 28.8328 179.1442 46 L 4.1173 7.6836 119.1771 58.0592 41.5213 179.2875 47 E 4.0574 8.0573 117.1424 59.4583 30.0532 178.6840 48 D 4.7867 8.2401 118.2317 53.9361 40.8236 176.5917 49 A 4.5906 8.1340 121.5978 54.2037 23.2173 177.3183 50 G 3.7892 7.3198 110.1115 45.9016 0.0000 174.0707 51 I 3.4459 7.2713 121.1758 64.7388 37.3429 176.2795 52 V 3.8010 7.3839 127.7618 61.8075 30.9534 176.1121 53 R 4.0916 8.4296 125.5171 58.7652 29.9263 176.6338 54 Q 4.4336 7.1536 112.2625 55.4284 30.6307 172.5126 55 Y 4.5141 8.6984 116.7507 56.2809 39.3607 175.3152 56 A 4.7377 8.3879 126.6691 49.9627 22.3111 174.6595 57 A 4.3386 8.4958 123.4529 51.1689 19.5804 177.1001 58 L 4.4588 8.4230 123.6496 53.3049 42.6381 176.5494 59 L 4.4143 8.1684 123.6496 53.3338 43.6436 175.9299 60 S 4.5574 8.1538 114.8949 56.0166 62.9994 172.7003 61 P 4.1463 0.0000 0.0000 65.9855 31.2154 178.5109 62 E 3.9588 8.2513 118.4328 58.8443 29.6938 178.9393 63 S 4.0622 7.9230 112.9271 60.9731 62.4257 175.1258 64 V 4.1065 7.6848 110.4924 61.0034 31.4068 176.0175 65 N 4.5369 8.2862 117.9058 53.6758 38.4872 174.1549 66 L 4.7985 7.8266 118.4976 54.6070 38.7990 177.0714 67 G 3.8184 8.5809 107.3217 47.4721 0.0000 171.2131 68 L 4.6339 8.2746 123.1938 53.4114 43.7309 174.4575 69 Q 4.0432 8.2958 127.8474 54.2699 30.5963 173.9160 70 A 4.7669 8.5104 127.9932 49.9376 22.8450 174.3957 71 F 5.4043 8.7755 119.8224 55.8153 41.8479 174.6406 72 I 4.8568 9.2814 125.0576 59.6384 40.1315 175.0952 73 R 4.9343 9.2847 127.5841 55.3171 30.7476 175.7670 74 V 4.8475 8.9288 125.3041 61.3262 34.3360 174.6625 75 S 5.0844 8.5666 119.7062 56.3907 65.4420 173.4861 76 I 4.2413 7.8275 122.2796 60.4669 38.7467 175.6049 77 R 4.1445 8.7156 126.6791 55.4245 30.6411 177.3049 78 K 4.4312 8.3329 122.7778 56.4706 33.2722 177.1546 79 A 4.7632 7.2591 128.3616 51.6309 17.5133 180.7065 80 K 4.4183 8.3277 122.9936 58.2200 34.4624 175.0773 81 D 4.4973 9.1638 123.2548 55.0760 39.0472 175.2852 82 A 4.0534 7.6967 122.8618 55.4507 17.7529 180.7674 83 R 4.0968 8.0380 115.7127 58.6021 30.0796 178.5212 84 E 4.0586 7.9452 119.1698 59.0497 30.0296 177.7114 85 D 4.3747 8.4135 119.1708 57.3689 40.9705 178.7032 86 F 3.6870 8.2637 120.6494 61.2286 39.4919 176.4579 87 A 3.6810 7.6364 118.8142 55.6706 17.8961 179.4655 88 A 3.8123 7.9926 117.8938 55.2184 18.7039 179.8217 89 S 3.6959 7.5865 113.9519 61.3357 62.7404 177.1838 90 V 2.6855 6.8830 121.9839 64.4162 30.6555 178.6459 91 R 3.7562 7.1904 117.6814 58.5402 29.9007 178.3817 92 K 4.3605 7.2782 116.5335 56.1754 32.6053 176.8218 93 W 4.9020 7.1749 120.9131 54.7720 28.8268 175.4161 94 P 4.3672 0.0000 0.0000 65.2413 31.3313 177.7965 95 E 3.6313 8.1667 116.7035 57.9724 29.6194 176.1621 96 V 4.4488 7.2821 119.5832 61.4226 31.0233 175.5163 97 L 4.2005 8.4562 127.4199 57.5758 41.8476 177.7984 98 S 4.7471 8.0405 113.8961 56.9227 66.6572 172.7126 99 C 5.0366 7.6640 122.0203 58.3944 34.2151 172.9673 100 F 5.1175 9.4502 125.0438 55.5765 42.4026 174.4285 101 A 4.7000 8.9373 125.1891 50.7854 18.5523 176.8405 102 L 4.6438 8.2722 121.6230 54.1525 44.0881 176.7722 103 T 4.1057 8.1973 111.2861 61.2088 68.8719 174.1251 104 G 3.8129 8.3328 107.1152 44.3449 0.0000 173.6241 105 E 4.1520 8.4613 116.7560 59.0583 29.6547 177.5314 106 T 4.2334 7.0539 112.2661 61.6165 67.9457 173.9457 107 D 4.4403 8.7348 128.4211 56.7827 42.3002 175.9412 108 Y 5.1043 8.3727 114.7889 56.0227 42.5878 174.2554 109 L 5.3341 9.6461 124.8480 53.3260 45.3589 174.9236 110 L 5.3682 9.4123 125.9679 53.0932 45.2753 175.0161 111 Q 5.0707 8.9249 124.4182 54.8571 30.9483 174.2010 112 A 5.2260 8.9222 126.9248 50.5473 23.4506 174.5005 113 F 5.0083 8.4200 116.8957 55.8767 42.6805 174.7897 114 F 4.9475 9.3331 120.1244 56.1904 43.3214 175.7501 115 T 4.0822 9.2434 110.2953 65.5576 69.1798 174.7911 116 D 4.6927 8.3019 121.1732 53.5966 44.1669 176.1544 *118 N 4.5997 9.7294 114.6441 53.0313 41.5645 176.1351 119 A 4.0532 8.4580 119.8055 55.5497 18.3022 179.4307 120 F 2.8636 7.8921 118.8699 61.0979 39.3945 177.2089 121 S 4.0651 8.2121 112.7995 61.5757 62.1951 175.6610 122 H 3.9785 8.0963 120.4434 59.0566 29.7408 176.7946 123 F 3.9074 8.0131 122.4375 61.1780 39.1437 177.2195 124 V 3.1139 7.4472 117.8072 65.9710 31.1384 178.0611 125 L 3.8677 7.5363 117.2649 57.2654 41.6190 178.3820 126 D 4.6300 7.7142 115.6088 54.8575 41.6527 176.3819 127 T 4.1087 6.9307 114.2591 64.7499 71.0638 175.6396 128 L 3.5311 6.9028 122.5374 58.1538 42.2136 178.8639 129 L 4.1893 7.7441 117.5727 57.1970 41.8139 178.9272 130 S 4.2063 7.8728 112.6707 60.9504 63.1309 174.4704 131 H 4.2689 8.0766 120.7893 56.3258 30.1167 175.6429 132 H 4.3408 8.8203 121.7480 58.6290 28.8302 176.8375 133 G 3.7238 7.9228 106.7598 48.1839 0.0000 173.6065 134 V 4.1303 7.4938 119.7307 62.8887 31.0409 175.7107 135 Q 4.2500 8.9118 131.0404 58.8369 29.8386 175.5430 136 D 4.7562 7.8515 114.3498 53.1554 45.0827 174.2432 137 A 5.3138 8.5500 125.4043 50.5328 22.7102 176.0447 138 Q 4.4488 8.7894 121.0868 55.5186 31.7994 173.2019 139 S 5.2407 8.7679 121.4018 56.4813 65.5768 173.3238 140 S 4.7693 8.7096 116.9591 56.5148 65.5361 172.4733 141 F 5.1441 8.6252 121.4742 55.4894 42.4806 175.1976 142 V 4.0237 8.1534 121.4241 62.0843 30.9443 175.9807 143 L 4.2002 8.7217 129.3044 57.2544 42.0390 177.9365 144 K 4.3103 7.5906 117.2027 55.3913 34.8536 174.8072 145 E 4.3795 8.6667 127.9792 54.7592 28.4990 175.4360 146 I 3.8970 8.2310 126.5339 63.6975 37.5532 176.8111 147 K 4.5136 7.5926 117.3842 55.7602 34.7770 174.4787 148 H 4.5274 8.4075 123.1713 55.8968 31.8246 172.6611 149 T 4.6974 8.0559 120.8672 60.5854 70.3452 173.5343 150 T 4.1748 8.3731 115.6765 62.6037 69.6498 175.0146 151 S 4.2788 7.7876 120.0178 58.1721 63.0519 174.0039 152 L 4.2879 8.5003 126.1466 53.2526 42.3193 175.1027 153 P 4.4320 0.0000 0.0000 62.9699 31.9698 176.1183 154 L 4.7448 8.3405 119.4664 54.3342 43.7670 177.9563 155 N 4.5908 8.2214 116.7511 56.0458 38.5931 176.3193 156 H 4.3648 8.2966 112.3542 57.3821 28.5866 175.7788 157 L 4.3056 7.8263 119.7903 54.7518 42.1047 176.5256 158 L 4.1904 7.6360 124.6391 55.8265 40.5929 176.5440 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 Q 8.34 4.32 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 4 L 8.07 4.62 0.00 1.69 1.48 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.67 4.54 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 6 L 7.62 4.14 0.00 1.65 1.58 0.91 1.16 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 D 8.37 4.56 0.00 2.82 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.63 3.91 0.00 1.73 1.90 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.48 7.81 9 T 7.71 4.40 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 10 D 8.18 4.32 0.00 3.12 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 11 I 7.73 3.67 1.86 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 1.49 0.70 0.90 0.00 0.00 12 K 7.97 4.06 0.00 1.82 1.96 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.39 7.81 13 I 7.89 3.64 1.88 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 1.55 1.70 0.95 0.00 0.00 14 L 7.58 4.04 0.00 2.01 1.69 0.92 0.80 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 15 Q 8.09 3.95 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 16 V 8.22 3.71 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 1.07 0.00 0.00 0.94 0.00 0.00 17 L 8.26 4.12 0.00 2.03 1.69 1.08 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 7.93 4.15 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.54 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 19 E 7.39 4.59 0.00 2.22 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 2.47 2.48 0.00 20 N 8.41 4.97 0.00 2.76 2.71 0.00 0.00 6.93 7.37 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 21 G 8.28 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 22 R 7.77 4.36 0.00 1.79 1.93 0.00 3.27 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 23 L 7.23 4.06 0.00 1.67 1.62 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 24 T 7.99 4.38 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 1.26 0.00 0.00 25 N 8.91 4.22 0.00 2.75 2.89 0.00 0.00 6.84 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 26 V 7.69 3.59 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 0.96 0.00 0.00 0.93 0.00 0.00 27 E 8.63 4.10 0.00 2.12 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 2.33 2.31 0.00 28 L 7.96 3.97 0.00 1.76 1.88 0.95 0.84 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 29 S 8.15 4.18 0.00 4.06 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 30 E 7.74 4.34 0.00 1.96 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 2.34 2.43 0.00 31 R 7.76 4.48 0.00 1.93 1.96 0.00 3.24 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.79 0.00 32 V 7.69 4.11 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 0.79 0.00 0.00 1.04 0.00 0.00 33 A 7.82 3.65 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 34 L 7.38 4.75 0.00 1.61 1.60 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.20 4.34 0.00 3.85 3.72 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 36 P 0.00 4.67 0.00 2.07 2.11 0.00 3.77 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 37 S 7.87 4.38 0.00 3.93 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 38 P 0.00 4.39 0.00 2.20 2.09 0.00 3.81 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 2.11 2.18 0.00 39 C 8.07 4.24 0.00 3.12 2.98 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 40 L 7.80 4.40 0.00 1.78 1.76 0.92 0.68 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 41 R 7.58 3.96 0.00 1.96 2.00 0.00 3.30 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 42 R 8.10 3.91 0.00 1.88 2.14 0.00 3.68 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.80 0.00 43 L 7.74 3.94 0.00 1.91 1.75 1.02 0.58 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 44 K 7.66 3.92 0.00 2.13 1.86 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.65 7.81 45 Q 7.94 4.01 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.94 0.00 0.00 0.00 0.00 0.00 2.41 2.66 0.00 46 L 7.68 4.12 0.00 1.80 1.73 0.99 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.06 4.06 0.00 2.16 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 0.00 2.60 2.50 0.00 48 D 8.24 4.79 0.00 2.81 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 49 A 8.13 4.59 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 50 G 7.32 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 51 I 7.27 3.45 2.00 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 1.30 0.57 0.90 0.00 0.00 52 V 7.38 3.80 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 0.13 0.00 0.00 0.88 0.00 0.00 53 R 8.43 4.09 0.00 1.93 2.01 0.00 3.11 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 54 Q 7.15 4.43 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.79 0.00 0.00 0.00 0.00 0.00 2.13 2.26 0.00 55 Y 8.70 4.51 0.00 2.95 2.93 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 56 A 8.39 4.74 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 57 A 8.50 4.34 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 58 L 8.42 4.46 0.00 1.65 1.62 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.17 4.41 0.00 1.54 1.53 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.15 4.56 0.00 3.83 3.72 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 61 P 0.00 4.15 0.00 2.57 2.14 0.00 3.74 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 2.14 2.08 0.00 62 E 8.25 3.96 0.00 2.04 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 0.00 2.44 2.27 0.00 63 S 7.92 4.06 0.00 3.84 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 64 V 7.68 4.11 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 0.71 0.00 0.00 0.98 0.00 0.00 65 N 8.29 4.54 0.00 3.01 2.99 0.00 0.00 7.23 6.46 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 66 L 7.83 4.80 0.00 1.79 1.85 0.82 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.58 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 68 L 8.27 4.63 0.00 1.79 1.87 0.74 0.21 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 69 Q 8.30 4.04 0.00 1.44 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.62 0.00 0.00 0.00 0.00 0.00 1.46 1.16 0.00 70 A 8.51 4.77 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.78 5.40 0.00 2.92 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 72 I 9.28 4.86 2.10 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.94 1.08 0.00 0.00 73 R 9.28 4.93 0.00 1.85 1.94 0.00 3.12 0.00 0.00 3.28 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 74 V 8.93 4.85 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 0.81 0.00 0.00 1.15 0.00 0.00 75 S 8.57 5.08 0.00 3.97 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 76 I 7.83 4.24 2.06 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.66 0.95 0.00 0.00 77 R 8.72 4.14 0.00 1.71 1.86 0.00 3.39 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 78 K 8.33 4.43 0.00 1.75 1.81 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.37 7.81 79 A 7.26 4.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.33 4.42 0.00 1.76 1.64 0.00 1.88 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.44 7.81 81 D 9.16 4.50 0.00 2.92 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 A 7.70 4.05 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 83 R 8.04 4.10 0.00 1.95 2.14 0.00 3.18 0.00 0.00 3.36 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.78 0.00 84 E 7.95 4.06 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 2.36 2.41 0.00 85 D 8.41 4.37 0.00 2.81 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 F 8.26 3.69 0.00 3.07 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 87 A 7.64 3.68 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 88 A 7.99 3.81 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 89 S 7.59 3.70 0.00 3.22 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 90 V 6.88 2.69 1.01 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 0.59 0.00 0.00 0.83 0.00 0.00 91 R 7.19 3.76 0.00 1.83 1.90 0.00 3.06 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.69 0.00 92 K 7.28 4.36 0.00 1.60 1.81 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.35 1.48 7.81 93 W 7.17 4.90 0.00 3.48 3.29 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 94 P 0.00 4.37 0.00 2.16 2.20 0.00 3.95 0.00 0.00 4.01 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 95 E 8.17 3.63 0.00 1.22 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 0.00 2.07 1.47 0.00 96 V 7.28 4.45 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 0.96 0.00 0.00 1.26 0.00 0.00 97 L 8.46 4.20 0.00 1.68 1.77 0.91 0.85 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 98 S 8.04 4.75 0.00 3.91 3.45 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 99 C 7.66 5.04 0.00 2.87 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 9.45 5.12 0.00 3.07 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 0.00 101 A 8.94 4.70 1.17 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 0.00 0.00 102 L 8.27 4.64 0.00 1.53 1.58 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.20 4.11 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 1.18 0.00 0.00 104 G 8.33 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 0.00 105 E 8.46 4.15 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 2.30 2.29 0.00 106 T 7.05 4.23 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 107 D 8.73 4.44 0.00 2.73 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.27 0.00 0.00 116 D 8.30 4.69 0.00 2.75 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 *118 N 9.73 4.60 0.00 3.07 2.97 0.00 0.00 6.65 7.12 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 0.00 119 A 8.46 4.05 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 7.89 2.86 0.00 2.76 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 0.00 121 S 8.21 4.07 0.00 4.00 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 0.00 122 H 8.10 3.98 0.00 3.23 3.34 0.00 5.73 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 8.01 3.91 0.00 3.22 2.71 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 0.00 124 V 7.45 3.11 1.79 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 0.96 0.00 0.00 -0.10 0.00 0.00 125 L 7.54 3.87 0.00 1.64 1.61 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.71 4.63 0.00 2.70 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 T 6.93 4.11 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 -0.19 0.00 0.00 128 L 6.90 3.53 0.00 0.85 1.48 1.21 0.95 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 0.00 129 L 7.74 4.19 0.00 1.70 1.68 0.89 1.20 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 0.00 130 S 7.87 4.21 0.00 3.94 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 H 8.08 4.27 0.00 3.59 3.54 0.00 5.59 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 H 8.82 4.34 0.00 3.32 3.39 0.00 5.58 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 7.92 3.72 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 0.00 0.00 0.00 134 V 7.49 4.13 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 0.78 0.00 0.00 1.26 0.00 0.00 135 Q 8.91 4.25 0.00 2.11 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.35 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 136 D 7.85 4.76 0.00 2.86 2.44 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 0.00 137 A 8.55 5.31 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 0.00 138 Q 8.79 4.45 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.70 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 139 S 8.77 5.24 0.00 3.48 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 0.00 140 S 8.71 4.77 0.00 3.88 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 0.00 141 F 8.63 5.14 0.00 2.82 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 V 8.15 4.02 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 0.81 0.00 0.00 0.85 0.00 0.00 143 L 8.72 4.20 0.00 1.71 1.72 0.94 0.88 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 0.00 144 K 7.59 4.31 0.00 1.69 1.66 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.43 7.81 145 E 8.67 4.38 0.00 2.02 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 0.00 2.32 2.41 0.00 146 I 8.23 3.90 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.54 0.93 0.00 0.00 147 K 7.59 4.51 0.00 1.69 1.65 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.44 7.81 148 H 8.41 4.53 0.00 3.19 3.32 0.00 5.73 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 0.00 149 T 8.06 4.70 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 150 T 8.37 4.17 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 1.23 0.00 0.00 151 S 7.79 4.28 0.00 3.90 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 0.00 152 L 8.50 4.29 0.00 1.78 1.60 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.43 0.00 2.19 2.06 0.00 3.69 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 1.96 1.97 0.00 154 L 8.34 4.74 0.00 1.68 1.65 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 155 N 8.22 4.59 0.00 2.80 2.88 0.00 0.00 6.87 8.16 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 0.00 156 H 8.30 4.36 0.00 3.27 3.42 0.00 5.51 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 7.83 4.31 0.00 1.58 1.67 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 158 L 7.64 4.19 0.00 1.74 1.63 0.92 0.79 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 * Residues marked with a * may have inaccurate shift predictions.