NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.7179 8.4449 120.3901 55.8147 31.0362 172.2285 6 L 4.6205 8.1322 126.0498 51.0839 44.2498 174.8409 7 D 4.8857 8.9234 124.2380 51.6609 44.0308 176.7615 8 D 4.3504 8.4569 118.0642 57.5302 40.6573 178.7915 9 L 3.9627 7.8576 120.3278 58.0368 42.1808 178.2985 10 D 4.3795 8.1816 118.5726 57.6971 40.8200 179.2635 11 R 3.8933 7.8675 118.0480 59.3156 29.9837 178.8842 12 N 4.3142 8.5163 116.6430 56.2962 38.5552 177.3680 13 I 3.6770 7.8206 121.0695 64.5587 37.1988 178.3814 14 L 3.9589 7.8550 119.5746 57.7883 41.4065 179.8251 15 R 3.8752 8.0988 117.8902 59.3689 29.9857 179.0991 16 L 3.9937 7.6713 118.3120 57.8780 41.3815 179.7018 17 L 4.0084 7.7958 117.9141 57.5851 41.5848 179.3616 18 K 4.0429 8.1747 118.2023 59.2541 32.0185 178.9700 19 K 4.2523 7.5545 117.7462 58.0016 32.8143 177.7587 20 D 4.3475 8.3603 125.3174 53.5421 42.0700 175.3372 21 A 4.3970 8.4244 127.9345 53.2080 18.6594 178.4299 22 R 4.1377 8.1560 114.8532 57.4491 30.4366 177.1173 23 L 4.1356 7.6418 119.3637 55.0452 41.8712 177.9413 24 T 4.3846 8.9358 115.3628 60.6840 71.4211 175.8936 25 I 3.7366 8.1572 121.4508 64.5496 37.0512 178.8654 26 S 4.1448 8.0055 114.6879 61.4272 62.9902 176.2528 27 E 4.1678 7.9129 120.9279 59.2130 29.1924 179.3028 28 L 4.0320 8.2272 119.2643 57.6461 41.5482 179.5082 29 S 4.1242 8.3763 113.5699 61.0987 62.1040 175.8071 30 E 3.9123 7.9749 121.1736 59.5703 29.5495 178.6874 31 Q 4.1296 8.1590 116.6081 58.1350 28.8056 177.6864 32 L 4.3923 7.8210 118.1136 53.3506 43.5899 176.0834 33 K 3.8747 8.4275 116.7584 57.2480 29.1745 175.8457 34 K 4.7142 7.5154 115.5218 53.0098 36.6257 175.9225 35 P 4.4095 0.0000 0.0000 62.4072 33.2499 177.3737 36 E 3.9873 8.9002 121.1697 60.2147 29.4641 180.2478 37 S 4.2690 8.0831 114.0931 61.5794 62.7823 176.8585 38 T 3.9677 7.8935 118.3028 66.5939 68.2586 176.3774 39 I 3.7177 7.5635 121.3986 64.7824 37.1844 177.5871 40 H 4.1271 8.3402 118.7088 59.4275 29.6523 176.6925 41 F 4.1133 8.2550 122.0254 61.5282 39.2613 177.0411 42 R 3.7434 8.3404 117.7232 59.4482 29.8467 179.1638 43 I 3.6962 8.0264 119.5375 64.3521 37.0693 178.5167 44 K 3.9801 7.9846 119.3460 59.4579 31.8549 179.3145 45 K 3.7274 7.8166 119.7491 59.3718 32.0997 179.0015 46 L 3.9880 7.9209 119.3251 57.6328 41.5971 179.5057 47 Q 4.1483 8.2436 118.1976 59.0146 28.4678 178.5836 48 E 3.9772 8.0570 118.3768 59.5116 29.6904 179.1671 49 R 4.2125 7.8530 114.6657 56.2117 30.2283 177.4946 50 G 3.9047 7.6330 106.4343 46.0258 0.0000 175.2238 51 V 3.5236 7.8311 120.1328 65.5825 31.5822 176.5943 52 I 3.9680 7.1809 123.4243 60.1811 36.0659 175.3229 53 E 4.0629 8.6030 127.5538 58.6818 29.9229 176.8857 54 R 4.5018 7.1900 113.7261 55.8927 32.6917 172.5804 55 Y 4.5158 8.7856 120.9602 56.6985 39.5657 174.9514 56 T 4.7749 8.2601 117.4107 60.8391 70.9726 171.9890 57 I 4.6522 8.1760 115.7827 58.9178 40.1424 174.4806 58 I 4.6239 8.0820 121.6180 59.6250 38.9049 175.6628 59 L 4.3350 8.6761 127.4312 54.3687 42.8299 177.0609 60 G 4.1186 8.4473 109.3666 44.8223 0.0000 174.4120 61 E 4.1112 8.7996 116.8409 58.7381 29.6628 179.2859 62 Q 3.7454 8.1580 117.9914 58.0578 28.8251 176.7783 63 L 4.6541 7.8968 114.9673 54.0721 43.2862 176.9659 64 K 4.1891 7.3875 119.0414 55.0380 32.5842 175.2093 65 P 4.5315 0.0000 0.0000 62.9963 31.7640 176.6411 66 K 4.1789 8.1711 119.9933 58.5159 33.0349 176.9123 67 H 4.9410 8.4880 117.3677 53.8061 32.3526 172.4389 68 L 5.3585 8.6669 124.3384 53.3028 45.6382 174.7128 69 A 5.0870 8.8348 124.8095 50.3653 23.1946 174.6603 70 L 5.0295 9.3312 123.8541 53.8285 44.4397 175.2597 71 I 5.0557 8.9292 126.5424 59.4723 40.6076 174.5059 72 V 4.8861 9.0463 127.0120 61.2614 34.0253 173.9423 73 L 5.1637 8.9998 128.7375 53.0188 44.2828 175.1694 74 E 5.0275 8.9470 124.0359 54.2831 32.3034 174.9766 75 V 4.1145 9.0904 128.2078 63.1047 31.9665 175.9386 76 G 3.7817 9.4244 119.2611 48.7049 0.0000 175.5753 77 K 4.2464 8.2994 132.2293 54.1295 35.2458 179.3540 78 P 3.3615 0.0000 0.0000 61.2536 31.5181 173.1668 *81 E 4.5661 9.2138 119.7546 57.3687 31.7136 178.4776 82 D 4.4974 8.1121 119.4921 56.6601 40.9409 178.6481 83 F 4.1205 8.7636 118.1378 60.0654 38.9786 177.3108 84 L 4.0635 8.1778 119.7021 58.2353 42.1515 178.1888 85 E 3.9783 7.8859 118.3790 59.8062 29.5665 179.1948 86 R 4.0425 7.8530 117.6036 59.0215 30.1039 178.4887 87 Y 4.2764 8.2692 119.6448 60.8181 38.8933 177.7587 88 I 3.6287 8.0206 120.7681 64.4887 37.1240 178.4095 89 S 4.0952 7.9522 115.4389 61.7912 62.6739 176.1673 90 Y 4.1771 7.9016 121.7784 60.9220 38.4906 178.3472 91 I 3.1489 7.4403 120.5482 64.0490 37.0333 178.2831 92 S 4.0291 8.3800 116.3837 62.1125 62.3164 177.2482 93 S 4.0770 8.1959 117.4820 61.7061 62.2762 177.0307 94 T 3.8215 7.4524 117.7168 66.5839 68.5037 176.4509 95 L 4.1387 7.9495 121.0086 57.9706 41.4284 179.7298 96 S 4.1309 8.0946 113.9908 61.4211 62.8405 176.0624 97 A 4.1700 7.4675 120.0134 52.4753 18.7763 177.4314 98 L 4.3523 7.4684 118.8085 52.8874 42.7384 174.8309 99 P 4.3316 0.0000 0.0000 64.2342 31.8198 176.7164 100 G 3.8194 9.0117 111.3251 45.1253 0.0000 173.0046 101 V 4.0943 7.0866 119.6502 62.3077 31.5078 175.7728 102 L 4.1412 9.4383 128.6973 55.1972 42.1377 175.4773 103 F 4.6507 6.9737 128.3052 57.6437 40.0382 171.2195 104 V 4.8170 6.7229 126.2124 60.6957 34.3586 173.9694 105 A 4.5830 9.1470 128.2435 50.2889 23.1697 174.2606 106 K 4.8532 8.5414 120.5791 54.7262 34.4466 175.3286 107 S 4.4918 8.9580 122.3341 57.2540 64.4787 173.9199 108 G 4.0151 8.7163 117.0302 46.5007 0.0000 173.1031 109 E 4.3176 8.8465 118.2915 57.6579 30.3389 176.3545 110 D 5.0226 8.0359 115.6590 52.4577 41.5127 175.3664 111 K 5.2611 8.2555 119.1484 54.8004 35.7208 175.0032 112 I 4.9447 8.6620 123.3519 59.6202 40.7192 174.4296 113 I 5.0790 9.1911 127.4233 59.5648 39.6128 174.5986 114 A 5.3451 9.0670 127.8324 50.0451 22.9919 174.2022 115 L 5.0742 9.2093 123.2022 53.3050 44.6189 175.2679 116 V 4.6273 8.9286 126.6779 60.9039 34.3356 174.1393 117 G 4.3748 8.7671 115.2162 44.5327 0.0000 172.4224 118 K 4.8099 9.0099 123.4296 55.1280 36.6049 176.4550 119 N 4.5815 8.7487 116.9627 54.3101 38.3635 174.6128 120 N 5.3562 7.6478 114.6886 51.5811 41.8076 174.2821 121 K 4.1267 8.5725 116.2768 58.9710 32.1716 175.0165 122 D 4.7830 7.8680 121.0396 54.4011 39.0160 177.6447 123 E 4.0948 8.1062 119.7230 59.2076 29.9157 179.4993 124 L 4.0117 7.5227 119.4760 57.6969 41.7322 179.2607 125 V 3.5552 7.3264 117.8467 66.1954 31.0982 177.7474 126 K 3.9186 8.0871 119.0988 59.5984 31.9210 178.4805 127 F 4.0694 8.4815 120.9164 61.3558 39.3951 177.2319 128 I 3.7333 8.5000 119.8497 64.3551 36.6702 177.9747 129 E 3.9250 8.3202 118.7867 59.7329 29.4303 178.9701 130 E 4.1864 7.5481 116.0507 57.8972 29.9841 177.5916 131 N 4.7366 7.7621 112.6997 52.3323 40.4306 175.0886 132 I 4.2963 7.2356 119.3370 63.0099 39.2908 177.3228 133 T 4.1774 7.8127 107.1213 63.1250 69.0539 175.6266 134 S 4.2463 7.8273 115.9351 59.9202 63.6460 174.2406 135 I 3.9005 7.3139 123.2114 60.4465 36.8734 174.2870 136 P 4.4646 0.0000 0.0000 63.5756 32.0043 175.5230 137 N 4.2995 8.7153 115.3242 54.4724 35.5522 173.6658 138 L 4.9086 7.8870 117.8520 53.4560 43.0162 176.7512 139 K 4.1550 8.9641 126.3661 59.3887 32.7848 176.8450 140 H 5.1759 8.0384 115.0638 54.1703 33.5215 172.4769 141 I 5.0583 8.4245 121.3533 59.6982 40.3892 174.7448 142 Q 4.4880 9.1757 125.6078 53.9152 32.2763 174.5116 143 I 4.6388 7.8309 123.2110 59.5110 40.0939 175.1141 144 F 4.8073 9.0714 127.0418 54.7253 40.6616 173.0192 145 P 4.6839 0.0000 0.0000 62.7753 32.0411 176.4407 146 I 4.1064 8.5000 125.8289 60.9741 36.8762 176.1832 147 T 4.1050 8.6804 124.7828 65.8156 68.8421 175.5119 148 E 4.5520 7.7001 120.0607 54.8211 32.4933 173.8916 149 I 4.1525 8.3380 127.5040 60.6576 38.1197 175.5685 150 K 4.2600 8.6916 124.7570 57.3607 32.9918 177.0134 151 K 4.4811 7.5923 117.5811 55.5983 35.0055 175.4393 152 G 3.8452 8.7883 112.8526 46.6716 0.0000 175.3390 153 E 4.0006 8.2784 120.8623 59.1767 29.3636 177.2226 154 D 4.4525 7.9672 117.3102 54.7438 40.9132 177.3931 155 L 3.9887 7.8897 122.8177 58.9051 42.1061 178.8540 156 T 4.0404 7.6638 112.2493 64.7424 67.1882 176.6955 157 G 3.6428 8.0773 107.5825 47.4143 0.0000 175.4545 158 F 4.2391 8.2919 122.3175 61.1930 39.6281 176.8816 159 L 3.9381 8.0179 116.1599 54.8233 41.8996 177.2794 160 A 3.8809 7.1288 121.8090 52.7009 18.6849 176.4963 161 E 4.5204 8.5258 123.6217 54.6518 31.3501 176.1570 162 V 4.0211 7.9975 122.5238 61.8875 31.6474 175.3061 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 5 H 8.44 4.72 0.00 3.10 3.29 0.00 5.84 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 6 L 8.13 4.62 0.00 1.64 1.47 0.88 0.76 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 7 D 8.92 4.89 0.00 2.84 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 8 D 8.46 4.35 0.00 2.71 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 9 L 7.86 3.96 0.00 1.77 1.67 0.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.18 4.38 0.00 2.96 2.68 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 11 R 7.87 3.89 0.00 2.01 1.95 0.00 3.11 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 12 N 8.52 4.31 0.00 2.79 2.86 0.00 0.00 7.06 6.87 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 13 I 7.82 3.68 2.03 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 1.53 1.00 0.91 0.00 0.00 14 L 7.86 3.96 0.00 1.81 1.66 0.87 0.94 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 15 R 8.10 3.88 0.00 2.01 1.96 0.00 3.11 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 16 L 7.67 3.99 0.00 1.79 1.72 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.80 4.01 0.00 1.71 1.66 0.94 0.82 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 18 K 8.17 4.04 0.00 1.91 1.81 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.48 7.81 19 K 7.55 4.25 0.00 1.73 1.88 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.44 7.81 20 D 8.36 4.35 0.00 2.62 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.42 4.40 1.47 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 22 R 8.16 4.14 0.00 2.06 2.02 0.00 3.19 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 23 L 7.64 4.14 0.00 1.76 1.65 1.01 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.94 4.38 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 1.25 0.00 0.00 25 I 8.16 3.74 1.90 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.64 0.98 0.00 0.00 26 S 8.01 4.14 0.00 4.05 4.12 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 27 E 7.91 4.17 0.00 2.27 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 0.00 2.34 2.36 0.00 28 L 8.23 4.03 0.00 1.87 1.73 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.38 4.12 0.00 3.90 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.97 3.91 0.00 2.03 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 0.00 2.33 2.35 0.00 31 Q 8.16 4.13 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 32 L 7.82 4.39 0.00 1.75 1.72 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.43 3.87 0.00 1.91 1.93 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.40 7.81 34 K 7.52 4.71 0.00 1.67 1.67 0.00 1.65 0.00 0.00 1.85 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.51 7.81 35 P 0.00 4.41 0.00 2.17 1.97 0.00 3.64 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 2.12 2.18 0.00 36 E 8.90 3.99 0.00 2.01 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 2.42 2.44 0.00 37 S 8.08 4.27 0.00 3.88 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 38 T 7.89 3.97 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 1.29 0.00 0.00 39 I 7.56 3.72 2.05 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 1.61 1.02 0.95 0.00 0.00 40 H 8.34 4.13 0.00 3.34 3.61 0.00 5.79 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 41 F 8.25 4.11 0.00 3.16 3.30 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 42 R 8.34 3.74 0.00 2.03 1.96 0.00 3.52 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.89 0.00 43 I 8.03 3.70 2.00 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 1.55 0.67 0.98 0.00 0.00 44 K 7.98 3.98 0.00 1.76 1.75 0.00 1.49 0.00 0.00 1.43 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.34 7.81 45 K 7.82 3.73 0.00 1.39 1.57 0.00 1.22 0.00 0.00 1.07 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.13 1.34 7.81 46 L 7.92 3.99 0.00 1.69 1.65 0.91 0.60 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 47 Q 8.24 4.15 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.53 2.59 0.00 48 E 8.06 3.98 0.00 2.03 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 2.33 2.46 0.00 49 R 7.85 4.21 0.00 1.76 1.95 0.00 3.21 0.00 0.00 3.21 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 50 G 7.63 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 51 V 7.83 3.52 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 0.78 0.00 0.00 0.90 0.00 0.00 52 I 7.18 3.97 1.83 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 1.03 0.58 0.58 0.00 0.00 53 E 8.60 4.06 0.00 1.90 1.94 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 2.30 2.30 0.00 54 R 7.19 4.50 0.00 1.78 1.75 0.00 3.33 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 55 Y 8.79 4.52 0.00 2.98 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 56 T 8.26 4.77 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 1.48 0.00 0.00 57 I 8.18 4.65 1.91 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 1.45 0.88 0.96 0.00 0.00 58 I 8.08 4.62 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 1.46 0.78 0.95 0.00 0.00 59 L 8.68 4.33 0.00 1.61 1.59 0.95 1.04 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 60 G 8.45 4.12 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 0.00 0.00 0.00 61 E 8.80 4.11 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 62 Q 8.16 3.75 0.00 2.04 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 63 L 7.90 4.65 0.00 1.55 1.65 0.92 1.19 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 64 K 7.39 4.19 0.00 1.63 1.72 0.00 1.70 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.53 7.81 65 P 0.00 4.53 0.00 2.14 2.02 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 66 K 8.17 4.18 0.00 1.59 1.70 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.37 7.81 67 H 8.49 4.94 0.00 3.05 3.14 0.00 5.57 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.67 5.36 0.00 1.72 1.47 0.90 0.97 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 69 A 8.83 5.09 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 70 L 9.33 5.03 0.00 1.82 1.85 1.07 1.23 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 71 I 8.93 5.06 1.95 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 1.15 0.94 0.96 0.00 0.00 72 V 9.05 4.89 2.25 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 1.17 0.00 0.00 1.18 0.00 0.00 73 L 9.00 5.16 0.00 1.63 1.57 0.91 0.65 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 74 E 8.95 5.03 0.00 2.08 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 2.22 2.26 0.00 75 V 9.09 4.11 2.28 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 1.02 0.00 0.00 1.10 0.00 0.00 76 G 9.42 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 0.00 0.00 0.00 77 K 8.30 4.25 0.00 1.74 1.58 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.26 1.00 7.81 78 P 0.00 3.36 0.00 2.17 1.85 0.00 3.74 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 1.89 1.58 0.00 *81 E 9.21 4.57 0.00 2.21 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 0.00 2.26 2.37 0.00 82 D 8.11 4.50 0.00 2.96 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 83 F 8.76 4.12 0.00 3.02 3.13 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 84 L 8.18 4.06 0.00 1.84 1.75 1.04 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 85 E 7.89 3.98 0.00 2.15 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 0.00 2.34 2.40 0.00 86 R 7.85 4.04 0.00 1.84 1.94 0.00 2.94 0.00 0.00 2.96 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 87 Y 8.27 4.28 0.00 3.28 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 8.02 3.63 1.91 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 1.55 0.55 0.90 0.00 0.00 89 S 7.95 4.10 0.00 4.10 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 90 Y 7.90 4.18 0.00 2.99 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 91 I 7.44 3.15 1.59 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 -0.18 0.70 0.00 0.00 92 S 8.38 4.03 0.00 3.95 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 93 S 8.20 4.08 0.00 3.85 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 94 T 7.45 3.82 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 1.03 0.00 0.00 95 L 7.95 4.14 0.00 1.76 1.74 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 96 S 8.09 4.13 0.00 3.79 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 97 A 7.47 4.17 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 98 L 7.47 4.35 0.00 2.01 1.80 0.97 0.79 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 99 P 0.00 4.33 0.00 2.08 2.02 0.00 3.74 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 2.06 2.11 0.00 100 G 9.01 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 0.00 101 V 7.09 4.09 2.31 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 0.84 0.00 0.00 1.06 0.00 0.00 102 L 9.44 4.14 0.00 1.87 1.78 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 103 F 6.97 4.65 0.00 3.26 3.13 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 0.00 104 V 6.72 4.82 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 0.74 0.00 0.00 0.87 0.00 0.00 105 A 9.15 4.58 1.11 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 0.00 106 K 8.54 4.85 0.00 1.74 1.68 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.41 7.81 107 S 8.96 4.49 0.00 3.94 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 0.00 108 G 8.72 4.02 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 0.00 0.00 0.00 109 E 8.85 4.32 0.00 2.00 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 0.00 2.31 2.31 0.00 110 D 8.04 5.02 0.00 2.75 2.88 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 0.00 0.00 0.00 111 K 8.26 5.26 0.00 1.89 1.83 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.42 7.81 112 I 8.66 4.94 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.73 0.93 0.00 0.00 113 I 9.19 5.08 2.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.71 1.14 0.00 0.00 114 A 9.07 5.35 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 0.00 115 L 9.21 5.07 0.00 1.85 1.65 0.92 0.75 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 0.00 116 V 8.93 4.63 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 0.19 0.00 0.00 0.70 0.00 0.00 117 G 8.77 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 9.01 4.81 0.00 1.59 1.84 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.58 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.18 1.48 7.81 119 N 8.75 4.58 0.00 2.67 2.86 0.00 0.00 6.81 7.88 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 0.00 120 N 7.65 5.36 0.00 2.80 2.73 0.00 0.00 7.18 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.57 4.13 0.00 1.78 1.81 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.25 7.81 122 D 7.87 4.78 0.00 2.83 2.68 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 0.00 123 E 8.11 4.09 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 2.43 2.42 0.00 124 L 7.52 4.01 0.00 1.91 1.73 1.02 0.69 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 0.00 125 V 7.33 3.56 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.02 0.00 0.00 126 K 8.09 3.92 0.00 2.12 2.00 0.00 1.71 0.00 0.00 1.61 0.00 0.00 3.20 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.64 1.48 7.81 127 F 8.48 4.07 0.00 3.30 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 I 8.50 3.73 2.03 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 1.65 0.89 0.93 0.00 0.00 129 E 8.32 3.92 0.00 1.86 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 2.34 2.48 0.00 130 E 7.55 4.19 0.00 1.94 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 131 N 7.76 4.74 0.00 1.60 2.33 0.00 0.00 6.83 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 I 7.24 4.30 1.97 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 1.64 1.34 0.92 0.00 0.00 133 T 7.81 4.18 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 1.20 0.00 0.00 134 S 7.83 4.25 0.00 3.98 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 I 7.31 3.90 1.97 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 1.18 0.46 0.93 0.00 0.00 136 P 0.00 4.46 0.00 2.14 2.03 0.00 3.99 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 137 N 8.72 4.30 0.00 2.90 2.89 0.00 0.00 6.86 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 0.00 138 L 7.89 4.91 0.00 1.66 1.64 0.94 1.07 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 0.00 139 K 8.96 4.16 0.00 1.72 1.78 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.15 1.28 7.81 140 H 8.04 5.18 0.00 3.23 3.10 0.00 5.63 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 0.00 141 I 8.42 5.06 1.87 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 1.36 0.63 0.90 0.00 0.00 142 Q 9.18 4.49 0.00 1.86 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 143 I 7.83 4.64 1.74 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 1.32 0.53 0.87 0.00 0.00 144 F 9.07 4.81 0.00 2.95 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 0.00 145 P 0.00 4.68 0.00 1.96 2.00 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 146 I 8.50 4.11 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 1.29 0.77 0.91 0.00 0.00 147 T 8.68 4.11 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 1.22 0.00 0.00 148 E 7.70 4.55 0.00 1.87 1.77 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 2.19 2.33 0.00 149 I 8.34 4.15 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 1.40 0.66 0.91 0.00 0.00 150 K 8.69 4.26 0.00 1.72 1.83 0.00 1.69 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.37 1.34 7.81 151 K 7.59 4.48 0.00 1.63 1.59 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.26 1.36 7.81 152 G 8.79 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 E 8.28 4.00 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 154 D 7.97 4.45 0.00 2.70 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 0.00 155 L 7.89 3.99 0.00 1.73 1.87 0.81 0.66 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 0.00 156 T 7.66 4.04 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 0.00 157 G 8.08 3.64 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 0.00 0.00 0.00 158 F 8.29 4.24 0.00 3.00 3.32 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 0.00 159 L 8.02 3.94 0.00 1.64 1.68 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 160 A 7.13 3.88 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 0.00 161 E 8.53 4.52 0.00 1.89 1.81 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 2.19 2.23 0.00 162 V 8.00 4.02 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 0.76 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.