NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 N 4.7208 8.2827 118.2192 52.2324 39.0172 174.6812 5 E 3.7223 8.6751 118.1610 58.4850 29.2754 177.5105 6 F 4.1924 9.0859 121.5636 61.5639 39.9386 176.4414 7 E 3.5942 8.8808 118.4198 59.1001 29.1373 179.5432 8 K 3.9005 8.1484 118.5201 59.1329 32.0331 179.2566 9 A 3.8202 8.2425 121.5399 55.4132 18.2632 179.5568 10 C 3.8251 7.8552 115.4478 62.6628 28.0524 176.0060 11 E 3.7997 7.9724 121.1285 59.4342 29.1049 179.0180 12 T 3.8157 7.9494 116.0259 66.2110 68.1948 176.5656 13 L 3.7256 7.5657 121.6953 57.9306 42.1901 178.4706 14 R 3.8790 7.6615 117.5225 59.6115 30.1901 178.3611 15 K 3.7290 7.9255 118.0307 58.9042 31.6846 178.9983 16 F 4.1515 7.9463 116.5521 59.7539 39.3192 175.2531 *18 A 4.4811 7.8582 121.3847 52.6226 20.2191 179.7885 19 Y 5.0438 7.9012 113.7096 58.3738 37.1683 178.2030 *21 L 4.2347 7.9847 121.5745 54.9479 43.5874 177.9968 22 E 4.2277 8.4570 115.4512 56.2165 29.6205 176.6611 23 K 3.8466 7.9173 116.7331 57.2764 30.1348 174.3444 24 D 4.7518 8.1209 117.3532 52.8055 42.7814 176.9943 *26 K 4.3306 8.4803 123.4445 56.7920 34.1235 178.6494 27 S 3.7736 8.3442 114.8942 60.9928 62.4742 176.4215 28 W 4.4060 7.8875 130.6592 61.0894 30.4567 178.0923 29 T 4.1164 7.9905 115.2333 66.7656 67.7217 175.9289 30 E 4.2369 7.7558 118.5510 58.0243 29.7349 177.8328 31 L 4.1310 8.0573 119.2246 55.7444 42.1889 176.6954 32 W 4.9698 7.7715 118.5738 54.8416 30.8752 175.7032 33 D 4.5923 8.8111 121.0864 53.6723 41.5946 176.8237 34 E 3.9887 8.9645 125.1902 59.0327 29.5893 178.0704 35 N 5.1438 8.0992 113.6684 52.6840 39.2622 174.7058 36 A 4.5902 7.9707 120.3321 52.3506 20.1588 177.4194 37 V 4.8472 8.8562 119.0991 61.0184 34.7052 174.1580 38 F 5.7123 9.3439 130.2283 56.7286 41.6113 173.6187 39 E 4.7185 9.3100 126.0285 54.5841 33.0029 175.3771 40 F 4.6001 8.6286 121.7634 54.3422 39.7293 173.6031 41 P 3.9931 0.0000 0.0000 64.9897 31.3647 177.0942 42 Y 4.8926 7.0050 112.5531 57.4782 38.1701 175.3467 43 A 4.3433 7.6071 124.0632 51.6533 19.0502 176.9756 44 P 4.5994 0.0000 0.0000 61.0076 33.1141 175.0901 45 E 4.1264 8.3123 117.8296 58.2456 29.5176 178.0184 46 G 3.9538 9.0770 111.3518 45.0320 0.0000 173.2852 47 S 4.7802 7.3333 115.2797 55.4640 65.4477 172.3380 48 P 4.4503 0.0000 0.0000 63.0599 31.8628 176.3007 49 K 4.6358 8.5518 119.0993 57.7055 33.8622 176.1435 50 R 5.0970 7.6982 118.1851 55.1598 33.1718 174.1359 51 I 4.8083 8.9892 125.8286 59.5887 41.3357 174.0618 52 E 5.0036 9.1844 125.1013 55.7095 32.6170 176.4284 53 G 3.9533 9.4157 111.7882 45.7375 0.0000 174.0896 54 K 3.7342 9.0548 124.0126 59.4059 32.0689 179.0425 55 A 4.0631 8.0560 120.0168 55.3438 18.3104 179.2886 56 A 4.0240 8.0434 118.6916 55.4431 18.4272 179.7353 57 I 3.8148 7.8984 118.3887 64.5743 36.9724 178.0812 58 Y 4.1982 8.2038 120.4613 60.9326 38.4776 177.6585 59 D 4.1813 8.3170 118.8793 57.4527 40.9449 178.0508 60 Y 4.0992 8.1572 119.5403 60.6187 39.1599 177.2798 61 I 3.8282 8.1936 119.0898 62.2771 37.9311 177.3535 62 K 3.4926 7.6006 119.0863 59.7187 32.3806 177.2298 63 D 4.6434 7.6285 116.4059 54.0028 41.4136 177.1568 64 Y 3.7577 8.0733 122.7747 60.5573 37.8528 176.7715 65 P 4.4773 0.0000 0.0000 64.6594 31.2077 178.2249 66 K 4.0000 7.6484 115.4472 57.9569 32.3032 177.3006 67 Q 4.4061 7.2580 118.1919 56.2987 31.9900 175.7609 68 I 4.4399 7.5758 119.6288 59.3608 40.6160 174.2874 69 H 4.5407 8.8980 127.4971 54.5696 31.2965 173.3305 70 L 4.6156 8.2537 126.3714 54.0034 42.0463 176.4952 71 S 4.5844 9.1088 119.5492 60.2390 63.7079 173.7252 72 S 4.6661 7.3610 111.5822 57.6367 65.8993 173.7988 73 F 5.7914 8.6385 118.2594 55.9144 42.4933 175.1908 74 T 4.5295 9.1838 112.6089 60.7756 70.2174 174.1465 75 A 4.1989 8.4777 125.4152 51.3269 19.0194 175.8121 76 P 4.9279 0.0000 0.0000 63.1042 32.8566 175.5827 77 T 4.5781 8.8703 118.1429 62.0379 70.5455 174.0776 78 V 4.9230 8.1920 118.7186 59.6494 35.4688 174.5186 79 Y 4.6454 8.8953 120.3427 56.2252 41.2732 174.5183 80 R 4.6858 8.4245 124.6979 54.5653 31.2134 175.6345 81 S 4.1967 8.5397 122.5349 58.2834 62.2611 174.0618 82 A 4.0637 8.8456 130.6116 54.8841 18.3679 177.6287 83 D 4.7487 7.9312 112.5836 54.4538 41.7795 175.9614 84 S 4.6478 7.6042 112.2581 56.8617 66.7056 174.4347 85 N 4.7447 8.3932 119.2167 52.6958 37.1280 174.4939 86 T 5.0028 7.3838 115.6332 61.6283 73.6129 174.4552 87 V 4.9298 8.9164 124.8108 61.1722 35.1846 174.0303 88 I 5.0606 8.7725 127.3367 59.5215 39.9421 174.4280 89 A 5.3468 9.2476 128.3041 50.1754 22.6085 174.3807 90 E 5.3524 9.2208 121.0918 54.6326 32.7723 175.2904 91 F 5.3525 8.4533 117.6201 56.3418 41.8479 172.8324 92 Q 5.5153 9.5958 118.1869 54.4231 33.1276 174.1791 93 C 5.6067 9.1867 115.2396 56.6528 33.7484 172.1135 94 D 4.9622 9.4462 118.1548 51.9803 44.5384 175.8326 95 G 4.0703 7.4825 109.4985 47.0701 0.0000 170.9436 96 H 5.1512 7.7907 114.7127 54.5520 31.7136 172.7607 97 V 3.8786 8.2047 120.8629 61.7944 32.1847 177.2036 98 I 3.6402 8.4115 129.0311 64.4787 37.1890 177.3300 99 E 3.9850 7.9818 119.7194 58.7020 29.5885 177.3260 100 T 4.1218 7.6054 106.6103 60.9383 69.8675 175.8114 101 G 3.8496 8.2316 109.4559 45.3699 0.0000 173.6847 102 L 4.2630 7.3610 119.9154 53.5667 42.8528 175.0086 103 P 4.6730 0.0000 0.0000 63.5106 32.4825 175.8056 104 Y 4.5375 9.3409 123.9014 55.9725 40.5906 173.2360 105 R 5.0570 8.2043 124.1891 53.2861 31.0427 174.6953 106 Q 4.1862 7.8105 124.5613 54.4425 31.5945 173.8237 107 S 5.1292 8.1993 119.6736 56.9910 65.4692 173.0235 108 Y 5.1138 9.0357 122.6233 56.2506 41.4423 174.9214 109 I 4.9269 8.6060 121.5400 59.8138 41.4436 173.8806 110 S 5.3259 9.5418 125.8885 56.6943 66.3779 173.4387 111 V 4.5361 8.4435 123.5123 61.3606 33.6431 174.2310 112 I 4.5028 8.7973 129.9482 59.3672 39.6745 174.2790 113 E 5.1184 9.1264 129.3453 54.7909 31.3946 174.7896 114 T 5.1501 8.2545 115.8850 60.1740 72.9197 173.4594 115 R 4.4906 8.3536 121.9408 55.7884 32.5435 174.5777 116 D 4.3905 10.3662 125.5932 55.2995 40.0499 174.4813 117 G 4.0112 8.7649 108.1542 44.9984 0.0000 175.2201 118 R 4.1344 7.5034 119.1958 55.6845 30.8003 175.7118 119 I 4.0892 8.2317 124.0027 61.6633 37.4033 176.9085 120 V 4.1754 8.8920 120.8104 62.2576 34.2787 176.1071 121 R 5.2089 7.5956 119.5839 55.1866 33.9184 173.2889 122 Y 4.9222 9.3387 126.6756 56.1788 42.3186 173.9306 123 R 4.7575 9.0188 127.4450 54.9803 31.9220 175.3154 124 D 5.4433 9.0688 126.3320 53.0704 41.5209 174.4095 125 Y 4.1020 8.7216 123.6879 56.5757 39.2906 174.7701 126 W 5.7631 8.1385 119.8543 54.8189 32.1529 174.2527 127 N 4.9047 9.4485 120.2341 52.3230 38.2586 174.1600 128 P 4.8289 0.0000 0.0000 65.9385 31.4537 178.0862 129 L 4.2032 8.7159 120.7020 57.8183 41.9419 179.0503 130 V 3.6352 7.9432 118.6579 65.7359 31.4530 178.2313 131 V 3.7050 7.7631 117.5501 65.8837 31.4707 177.5676 132 K 4.3671 8.5177 121.1389 59.0306 32.0611 178.2535 133 E 3.9414 8.4497 119.1764 59.3852 29.4151 178.7001 134 A 4.0877 7.9796 119.3106 54.4433 18.7520 178.5027 135 F 4.3023 8.3233 115.4470 56.4424 38.8521 176.4256 136 G 4.0783 8.9678 106.1734 47.0600 0.0000 175.2455 137 G 4.1178 8.8151 109.3879 45.1048 0.0000 175.1576 138 S 4.6950 7.7614 115.9663 57.8402 63.8266 172.0593 139 F 3.9506 7.9956 119.2332 56.2550 42.1364 174.4102 140 L 2.7834 5.8292 125.4768 55.1139 42.1539 176.9159 141 Q 4.1293 9.3736 124.5554 56.0349 28.7779 175.4168 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 4 N 8.28 4.72 0.00 3.00 3.07 0.00 0.00 5.75 6.77 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 5 E 8.68 3.72 0.00 2.18 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 2.37 2.48 0.00 6 F 9.09 4.19 0.00 3.10 3.24 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 7 E 8.88 3.59 0.00 2.09 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 2.32 2.69 0.00 8 K 8.15 3.90 0.00 1.89 1.78 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.57 7.81 9 A 8.24 3.82 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 10 C 7.86 3.83 0.00 2.50 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 E 7.97 3.80 0.00 2.05 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 2.23 2.31 0.00 12 T 7.95 3.82 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 1.01 0.00 0.00 13 L 7.57 3.73 0.00 1.38 1.66 0.48 0.63 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 14 R 7.66 3.88 0.00 1.70 1.99 0.00 3.24 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 15 K 7.93 3.73 0.00 1.82 1.35 0.00 1.70 0.00 0.00 1.52 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.17 1.56 7.81 16 F 7.95 4.15 0.00 3.02 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 *18 A 7.86 4.48 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 19 Y 7.90 5.04 0.00 3.26 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 *21 L 7.98 4.23 0.00 1.91 1.82 1.07 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.46 4.23 0.00 2.25 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 2.42 2.61 0.00 23 K 7.92 3.85 0.00 1.90 1.88 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.59 7.81 24 D 8.12 4.75 0.00 2.68 2.53 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 0.00 0.00 0.00 0.00 *26 K 8.48 4.33 0.00 2.00 1.84 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.55 7.81 27 S 8.34 3.77 0.00 2.77 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.89 4.41 0.00 3.53 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 29 T 7.99 4.12 4.52 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 1.29 0.00 0.00 30 E 7.76 4.24 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 2.48 2.47 0.00 31 L 8.06 4.13 0.00 1.35 1.42 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 32 W 7.77 4.97 0.00 3.12 3.07 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 0.00 0.00 0.00 33 D 8.81 4.59 0.00 2.80 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 34 E 8.96 3.99 0.00 2.06 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 2.41 2.38 0.00 35 N 8.10 5.14 0.00 2.79 2.81 0.00 0.00 7.01 7.26 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 36 A 7.97 4.59 1.70 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 0.00 0.00 37 V 8.86 4.85 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 0.98 0.00 0.00 0.98 0.00 0.00 38 F 9.34 5.71 0.00 2.79 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 9.31 4.72 0.00 1.69 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 0.00 2.13 2.21 0.00 40 F 8.63 4.60 0.00 2.92 2.47 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 41 P 0.00 3.99 0.00 0.69 1.61 0.00 2.85 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.50 0.00 42 Y 7.00 4.89 0.00 2.90 2.91 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 43 A 7.61 4.34 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 44 P 0.00 4.60 0.00 2.03 2.10 0.00 3.19 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.00 0.00 45 E 8.31 4.13 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 46 G 9.08 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 47 S 7.33 4.78 0.00 3.82 3.69 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 48 P 0.00 4.45 0.00 2.23 2.11 0.00 3.79 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.12 0.00 49 K 8.55 4.64 0.00 1.71 1.88 0.00 1.69 0.00 0.00 1.89 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.37 7.81 50 R 7.70 5.10 0.00 1.76 1.75 0.00 3.17 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 51 I 8.99 4.81 1.99 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.78 1.01 0.00 0.00 52 E 9.18 5.00 0.00 1.83 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 2.23 2.30 0.00 53 G 9.42 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 54 K 9.05 3.73 0.00 1.86 1.85 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.29 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.48 7.81 55 A 8.06 4.06 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.04 4.02 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 57 I 7.90 3.81 1.72 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.62 0.15 0.00 0.00 58 Y 8.20 4.20 0.00 3.12 3.25 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 59 D 8.32 4.18 0.00 2.91 2.75 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 60 Y 8.16 4.10 0.00 3.05 3.37 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 61 I 8.19 3.83 2.06 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.76 0.83 0.00 0.00 62 K 7.60 3.49 0.00 1.43 1.06 0.00 1.50 0.00 0.00 1.53 0.00 0.00 2.49 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.21 7.81 63 D 7.63 4.64 0.00 2.56 2.59 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 64 Y 8.07 3.76 0.00 2.91 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.48 0.00 2.17 2.09 0.00 3.96 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 2.08 2.06 0.00 66 K 7.65 4.00 0.00 1.85 1.78 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.41 7.81 67 Q 7.26 4.41 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.75 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 68 I 7.58 4.44 0.88 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.72 0.52 0.00 0.00 69 H 8.90 4.54 0.00 2.98 2.69 0.00 5.57 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.25 4.62 0.00 1.45 1.29 1.06 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 71 S 9.11 4.58 0.00 3.91 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 7.36 4.67 0.00 3.94 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 73 F 8.64 5.79 0.00 2.97 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 74 T 9.18 4.53 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 1.40 0.00 0.00 75 A 8.48 4.20 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 76 P 0.00 4.93 0.00 2.09 1.93 0.00 3.69 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.82 0.00 77 T 8.87 4.58 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 0.96 0.00 0.00 78 V 8.19 4.92 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 0.69 0.00 0.00 1.02 0.00 0.00 79 Y 8.90 4.65 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 80 R 8.42 4.69 0.00 0.67 1.31 0.00 2.21 0.00 0.00 2.56 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.19 0.00 81 S 8.54 4.20 0.00 3.94 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 82 A 8.85 4.06 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 83 D 7.93 4.75 0.00 2.65 2.70 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 84 S 7.60 4.65 0.00 3.89 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 N 8.39 4.74 0.00 2.79 2.91 0.00 0.00 6.56 7.05 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 86 T 7.38 5.00 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 87 V 8.92 4.93 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 1.11 0.00 0.00 1.05 0.00 0.00 88 I 8.77 5.06 2.05 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 1.12 0.49 0.92 0.00 0.00 89 A 9.25 5.35 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.22 5.35 0.00 2.05 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 2.29 2.43 0.00 91 F 8.45 5.35 0.00 3.31 3.16 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 0.00 0.00 0.00 92 Q 9.60 5.52 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.66 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 93 C 9.19 5.61 0.00 2.90 3.51 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 94 D 9.45 4.96 0.00 2.73 2.50 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 95 G 7.48 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 96 H 7.79 5.15 0.00 3.43 3.37 0.00 5.45 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.20 3.88 1.71 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 -0.09 0.00 0.00 0.12 0.00 0.00 98 I 8.41 3.64 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.54 0.84 0.00 0.00 99 E 7.98 3.98 0.00 1.83 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 2.24 2.25 0.00 100 T 7.61 4.12 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 1.06 0.00 0.00 101 G 8.23 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 0.00 102 L 7.36 4.26 0.00 1.72 1.57 0.96 0.89 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 0.00 103 P 0.00 4.67 0.00 1.94 2.01 0.00 3.61 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 104 Y 9.34 4.54 0.00 2.84 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 0.00 105 R 8.20 5.06 0.00 1.63 1.80 0.00 3.29 0.00 0.00 4.01 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.40 0.00 106 Q 7.81 4.19 0.00 1.03 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.85 0.00 0.00 0.00 0.00 0.00 1.78 1.24 0.00 107 S 8.20 5.13 0.00 3.71 3.73 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 0.00 108 Y 9.04 5.11 0.00 1.60 2.53 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 0.00 0.00 0.00 0.00 109 I 8.61 4.93 1.85 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.62 0.75 0.00 0.00 110 S 9.54 5.33 0.00 3.68 3.20 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 0.00 111 V 8.44 4.54 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 1.04 0.00 0.00 0.98 0.00 0.00 112 I 8.80 4.50 1.58 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.03 0.56 0.00 0.00 113 E 9.13 5.12 0.00 1.95 1.75 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 2.19 2.29 0.00 114 T 8.25 5.15 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 1.04 0.00 0.00 115 R 8.35 4.49 0.00 1.79 1.74 0.00 3.21 0.00 0.00 3.08 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 116 D 10.37 4.39 0.00 2.75 2.70 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 0.00 117 G 8.76 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.50 4.13 0.00 2.02 1.81 0.00 3.11 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 119 I 8.23 4.09 0.97 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.32 0.27 0.00 0.00 120 V 8.89 4.18 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 0.70 0.00 0.00 0.96 0.00 0.00 121 R 7.60 5.21 0.00 1.88 1.72 0.00 3.12 0.00 0.00 3.45 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 122 Y 9.34 4.92 0.00 2.91 3.04 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 0.00 123 R 9.02 4.76 0.00 1.76 1.62 0.00 3.10 0.00 0.00 3.14 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 124 D 9.07 5.44 0.00 3.08 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 0.00 125 Y 8.72 4.10 0.00 3.03 2.59 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 0.00 126 W 8.14 5.76 0.00 3.30 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 0.00 127 N 9.45 4.90 0.00 2.88 3.02 0.00 0.00 7.31 6.99 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 0.00 128 P 0.00 4.83 0.00 2.63 3.03 0.00 3.99 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.19 0.00 129 L 8.72 4.20 0.00 1.80 1.98 0.95 1.22 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 0.00 130 V 7.94 3.64 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 0.79 0.00 0.00 0.91 0.00 0.00 131 V 7.76 3.71 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 -0.48 0.00 0.00 0.72 0.00 0.00 132 K 8.52 4.37 0.00 2.15 1.92 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.53 1.44 7.81 133 E 8.45 3.94 0.00 2.32 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 2.36 0.00 134 A 7.98 4.09 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 F 8.32 4.30 0.00 3.22 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 0.00 136 G 8.97 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 0.00 0.00 0.00 0.00 137 G 8.82 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 0.00 138 S 7.76 4.69 0.00 3.97 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 0.00 139 F 8.00 3.95 0.00 2.81 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 L 5.83 2.78 0.00 0.67 0.81 0.50 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 141 Q 9.37 4.13 0.00 2.08 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.32 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.