NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.8299 8.1648 122.9782 51.9979 19.9380 175.9828 *2 I 4.0766 7.9627 119.3825 61.3970 38.1339 176.1238 3 V 4.1669 8.6767 124.9740 62.9085 32.8958 176.4057 4 G 4.7992 7.6075 106.0214 45.6516 0.0000 171.8738 5 L 5.2847 8.4775 123.4261 53.0297 45.2636 175.8014 6 G 4.2947 9.0941 112.0188 44.9765 0.0000 171.2170 7 T 5.2610 8.2961 116.2407 60.6335 71.0603 172.2177 8 D 4.7603 8.8268 124.0459 53.1251 45.2166 173.6576 9 I 5.0339 8.4864 124.2772 59.1605 40.9773 174.2018 10 A 4.9118 9.2707 130.0613 50.0817 22.5468 174.7966 11 E 4.5209 8.8670 122.9732 55.2638 30.2947 177.0957 12 I 3.6974 8.5445 128.7997 64.5451 37.0931 178.0110 13 E 4.0428 8.0992 119.5393 59.4356 29.3426 179.0125 14 R 3.8479 7.7647 118.2624 58.9569 30.0951 179.1653 15 V 3.5432 7.5361 117.6880 65.9607 31.6728 177.7144 16 E 4.0309 8.4245 118.5827 59.4988 29.2968 179.5755 17 K 3.9613 8.3771 118.5278 59.2959 32.0568 179.2947 18 A 3.7565 7.8426 121.1287 55.0234 18.1735 179.7382 19 L 4.1609 8.1358 117.3327 57.9158 41.5078 179.5982 20 A 4.0771 7.9647 119.7670 54.5659 18.2802 179.5940 21 R 4.1459 7.4882 115.6039 58.6861 30.9782 178.3215 22 S 4.7159 8.5188 112.4372 56.2287 64.8854 175.9979 23 G 3.9749 8.7827 111.4294 45.9902 0.0000 175.7600 24 E 4.0459 9.1298 122.7836 59.4873 28.7992 178.0949 25 N 4.4048 7.8922 115.0978 56.1813 38.9853 176.9815 26 F 4.4924 8.1991 121.2478 61.2533 39.6856 177.0126 27 A 3.3654 7.9922 120.3793 55.1486 17.8930 179.7146 28 R 3.8940 8.1024 115.1348 58.6402 30.1890 179.0595 29 R 4.0830 7.4702 117.4607 58.8486 30.0836 178.3140 30 I 3.5434 7.2250 117.9869 61.7150 38.0236 175.9906 31 L 4.8444 7.1422 118.5331 52.8928 43.6802 177.1320 32 T 3.9430 8.5708 113.2328 61.2639 70.6829 175.4236 33 D 4.3552 8.4932 121.5877 57.7638 40.8668 178.9374 34 S 4.2449 7.9570 112.9425 61.5149 62.5546 175.9633 35 E 4.0818 8.2396 121.2191 59.2488 29.1597 179.1306 36 L 3.9798 8.0565 119.2224 57.7108 41.4309 179.4062 37 E 3.9557 7.9120 118.4450 59.5867 29.2379 179.4180 38 Q 3.9725 7.9785 115.9953 58.7787 29.2076 177.9406 39 F 2.8999 7.9532 121.5513 61.5104 39.1388 176.9883 40 H 3.9603 8.3584 114.0258 58.5758 28.5194 177.2012 41 A 4.0663 7.3177 121.2125 53.0183 18.7655 177.8927 42 S 4.0921 6.9562 112.0862 58.4331 62.8662 173.9796 43 K 4.3762 8.4282 124.0195 56.4978 33.1054 176.7223 44 Q 4.6463 8.0182 117.5665 54.1187 29.2905 176.2580 45 Q 3.9933 7.9097 119.9685 58.8424 29.2658 178.9165 46 G 3.7334 8.1374 106.4057 47.9031 0.0000 175.8879 47 R 4.0013 8.0009 120.0484 58.8051 30.2452 178.4540 48 F 4.0485 8.5110 120.6521 61.5595 39.3757 177.0659 49 L 4.1717 8.8375 119.8962 58.0131 41.8709 178.6477 50 A 4.1057 8.3159 120.9164 55.1352 18.3026 179.7698 51 K 3.9650 8.0108 116.5348 59.6996 32.0413 179.8856 52 R 3.8744 7.8238 117.9165 58.9488 29.8953 178.6819 53 F 3.9526 8.6937 120.7360 61.3233 39.3032 176.9868 54 A 4.4621 8.5975 121.2697 54.6426 18.1362 179.3269 55 A 3.8605 8.0797 119.2211 55.4311 18.3888 180.1132 56 K 3.4370 8.1879 117.0502 59.3051 32.1107 179.5637 57 E 3.6214 8.1858 118.8832 59.0862 29.3341 179.1834 58 A 3.8598 8.1001 120.8265 55.0900 18.5604 179.5374 59 A 3.8363 7.8758 119.6908 55.2406 18.4185 180.0637 60 S 4.1765 7.6530 112.8338 61.3836 63.0238 176.9542 61 K 3.9512 7.9477 122.0522 59.1576 31.7209 179.1549 62 A 4.1738 8.0479 121.0351 54.9953 18.0278 179.3983 63 L 4.0828 7.7026 116.0392 55.9403 41.8607 178.3230 64 G 3.9904 8.0037 106.6943 45.3193 0.0000 173.7990 65 T 4.2286 7.6573 109.0397 60.3799 70.7530 175.9605 66 G 4.0151 7.8016 110.3168 45.7355 0.0000 173.6016 67 I 3.9305 7.8435 118.4711 59.6374 35.7694 174.5593 68 A 4.1852 8.3924 127.1529 52.2476 22.5711 176.0594 69 Q 3.5654 9.8150 114.8874 57.2037 26.0536 175.6676 70 G 3.8623 8.5034 105.5270 45.2259 0.0000 174.2908 71 V 4.0514 7.7328 121.3058 62.0532 32.0367 175.0563 72 T 4.8445 8.5538 117.0147 59.2465 71.6474 175.0287 73 F 4.2815 8.7047 120.5073 61.3114 38.9515 177.2678 74 H 4.6207 7.9336 114.7554 57.5546 28.6703 175.7758 75 D 4.4697 8.1330 118.8456 54.2142 40.9963 175.4282 76 F 5.2902 7.8747 118.0333 55.7928 41.8070 174.7422 77 T 4.8168 9.1664 120.3967 61.8424 71.4310 172.9720 78 I 4.8569 9.0191 128.3172 60.2808 38.6695 175.2793 79 S 4.9814 8.7584 121.8791 57.2560 66.5330 172.4870 80 H 5.2485 8.6124 114.6060 54.6603 32.6398 173.0152 81 D 4.8010 8.6722 122.6859 51.7269 41.0981 177.3560 82 K 4.0424 8.4976 117.3251 59.2383 32.5606 177.5906 83 L 4.2933 8.1328 118.1333 54.6941 42.0385 177.3193 84 G 4.0097 8.2301 107.3121 44.4067 0.0000 173.7561 85 K 4.2567 8.1015 122.4719 55.6282 33.1947 174.3781 86 P 4.7677 0.0000 0.0000 62.7587 32.5273 175.4733 87 L 4.8570 8.8556 121.1313 52.8645 45.8432 175.0608 88 L 5.0944 8.5656 124.0273 53.3863 44.2436 175.2981 89 I 4.6107 8.9486 127.2804 59.5438 40.0988 174.7754 90 L 5.1133 8.5180 126.2112 53.6553 43.9872 175.4796 91 S 4.3512 8.5417 115.7373 57.2443 67.1273 174.2014 92 G 3.7023 8.7023 107.1244 46.3877 0.0000 175.4517 93 Q 3.8942 8.5681 118.3682 59.0893 28.9424 178.6460 94 A 3.8277 7.8650 121.2171 55.0446 18.4117 179.3200 95 A 3.8555 7.6982 119.2523 55.0424 18.3940 179.5540 96 E 3.8251 8.0733 117.9631 59.3279 29.7660 178.8529 97 L 3.9233 8.1855 120.4761 58.0754 42.0840 178.7296 98 A 4.0136 8.2760 121.0544 55.3200 18.2761 179.8341 99 S 4.0751 8.2656 113.7218 61.7755 62.6356 176.9092 100 Q 4.0347 7.8506 120.0501 58.6449 28.5600 177.9195 101 L 4.2802 7.7866 116.9006 54.0491 41.9880 176.6246 102 Q 3.5048 8.0661 117.7109 56.6007 26.7888 173.6810 103 V 3.9780 8.0679 118.1186 63.2975 31.8978 175.0581 104 E 4.7151 9.0164 125.8117 56.2168 32.3706 176.0754 105 N 5.0638 8.0889 116.1897 51.2763 42.7099 173.3988 106 I 4.9850 8.3445 123.1530 59.7792 40.3140 174.5010 107 H 5.0052 9.2356 123.6721 53.8336 32.1233 172.5573 108 L 5.1943 8.5203 123.4884 53.4129 45.2402 175.2481 109 S 4.8468 9.1023 119.4853 56.6149 66.1393 172.5361 110 I 5.0665 8.2874 124.7931 59.7635 40.4343 174.7758 111 S 4.6841 8.4608 118.4844 56.8228 65.5211 172.4385 112 D 5.1063 8.4343 124.3615 51.6380 42.4715 174.4079 113 E 4.8432 8.7643 118.0733 54.7660 32.4426 174.9207 114 R 3.9887 8.0353 116.6821 59.7420 30.2105 177.3626 115 H 4.6453 8.5753 111.9992 55.5522 30.9758 173.1935 116 Y 5.2888 7.8634 116.0362 56.0987 42.2450 174.3589 117 A 5.3854 9.1853 123.7054 49.1574 23.0822 174.8250 *119 A 4.5690 8.2204 118.9891 52.4915 20.4793 176.0033 120 T 5.1401 8.5747 115.0935 61.7863 73.1314 173.4031 121 V 4.9499 8.9484 124.3443 61.2160 35.3136 174.1871 122 I 5.0683 8.8701 127.3492 59.5182 40.9530 174.1796 123 L 5.1386 8.8225 126.3581 52.9955 44.3738 175.1708 124 E 4.9250 8.9758 123.2122 54.2818 33.8392 175.7430 125 R 4.5992 8.4343 122.5471 56.0151 30.3194 176.4551 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 0 A 8.16 4.83 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 *2 I 7.96 4.08 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.59 0.97 0.00 0.00 3 V 8.68 4.17 2.08 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 0.75 0.00 0.00 0.93 0.00 0.00 4 G 7.61 4.80 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 5 L 8.48 5.28 0.00 1.58 1.48 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 6 G 9.09 4.29 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 0.00 7 T 8.30 5.26 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 1.20 0.00 0.00 8 D 8.83 4.76 0.00 2.78 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.49 5.03 1.87 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.32 0.92 0.00 0.00 10 A 9.27 4.91 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 11 E 8.87 4.52 0.00 2.15 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 2.23 2.03 0.00 12 I 8.54 3.70 1.79 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.48 0.91 0.00 0.00 13 E 8.10 4.04 0.00 1.98 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 2.34 2.38 0.00 14 R 7.76 3.85 0.00 1.93 1.87 0.00 3.27 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 15 V 7.54 3.54 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 1.28 0.00 0.00 0.89 0.00 0.00 16 E 8.42 4.03 0.00 2.18 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 2.36 2.49 0.00 17 K 8.38 3.96 0.00 1.85 1.79 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.59 7.81 18 A 7.84 3.76 0.59 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 19 L 8.14 4.16 0.00 1.99 1.86 1.17 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.96 4.08 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 21 R 7.49 4.15 0.00 1.85 1.95 0.00 3.03 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 22 S 8.52 4.72 0.00 3.78 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 23 G 8.78 3.97 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 0.00 0.00 0.00 24 E 9.13 4.05 0.00 2.05 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 2.52 2.43 0.00 25 N 7.89 4.40 0.00 2.91 2.95 0.00 0.00 7.01 8.08 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 26 F 8.20 4.49 0.00 3.00 3.22 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 27 A 7.99 3.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.10 3.89 0.00 1.83 2.02 0.00 3.20 0.00 0.00 3.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 29 R 7.47 4.08 0.00 1.88 2.01 0.00 3.32 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.00 0.00 30 I 7.23 3.54 1.42 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 1.06 0.14 0.60 0.00 0.00 31 L 7.14 4.84 0.00 1.42 1.49 0.42 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.57 3.94 4.18 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 1.26 0.00 0.00 33 D 8.49 4.36 0.00 2.65 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 34 S 7.96 4.24 0.00 3.89 3.87 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 35 E 8.24 4.08 0.00 2.25 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 0.00 2.41 2.39 0.00 36 L 8.06 3.98 0.00 2.01 1.67 0.73 0.67 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 37 E 7.91 3.96 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 38 Q 7.98 3.97 0.00 2.35 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.00 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 39 F 7.95 2.90 0.00 2.75 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 40 H 8.36 3.96 0.00 3.18 3.25 0.00 5.72 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.32 4.07 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 42 S 6.96 4.09 0.00 3.52 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.43 4.38 0.00 1.74 1.77 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.31 1.39 7.81 44 Q 8.02 4.65 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 45 Q 7.91 3.99 0.00 1.91 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 1.40 2.12 0.00 46 G 8.14 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 0.00 0.00 0.00 47 R 8.00 4.00 0.00 2.06 2.03 0.00 3.15 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 48 F 8.51 4.05 0.00 3.23 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.84 4.17 0.00 2.12 1.86 0.61 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.32 4.11 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 51 K 8.01 3.97 0.00 1.91 1.80 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.60 7.81 52 R 7.82 3.87 0.00 1.95 1.97 0.00 3.25 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.79 0.00 53 F 8.69 3.95 0.00 3.12 3.23 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 0.00 54 A 8.60 4.46 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 55 A 8.08 3.86 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.19 3.44 0.00 1.89 1.75 0.00 1.89 0.00 0.00 2.18 0.00 0.00 3.17 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.69 7.81 57 E 8.19 3.62 0.00 1.93 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 2.02 1.75 0.00 58 A 8.10 3.86 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 59 A 7.88 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 7.65 4.18 0.00 4.08 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 61 K 7.95 3.95 0.00 1.94 1.85 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.53 7.81 62 A 8.05 4.17 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 63 L 7.70 4.08 0.00 1.90 1.78 1.06 0.85 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 64 G 8.00 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 0.00 0.00 0.00 65 T 7.66 4.23 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 1.21 0.00 0.00 66 G 7.80 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 67 I 7.84 3.93 1.66 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 0.90 -0.20 0.68 0.00 0.00 68 A 8.39 4.19 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 69 Q 9.82 3.57 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.59 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 70 G 8.50 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 0.00 0.00 0.00 71 V 7.73 4.05 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 1.03 0.00 0.00 0.90 0.00 0.00 72 T 8.55 4.84 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 1.24 0.00 0.00 73 F 8.70 4.28 0.00 3.32 3.41 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 0.00 74 H 7.93 4.62 0.00 3.17 3.35 0.00 5.67 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.13 4.47 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 F 7.87 5.29 0.00 2.95 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 77 T 9.17 4.82 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 1.24 0.00 0.00 78 I 9.02 4.86 1.85 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 1.24 0.38 0.79 0.00 0.00 79 S 8.76 4.98 0.00 3.86 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 80 H 8.61 5.25 0.00 3.09 3.20 0.00 5.88 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.67 4.80 0.00 2.91 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 82 K 8.50 4.04 0.00 1.89 2.00 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.41 7.81 83 L 8.13 4.29 0.00 1.80 1.76 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.23 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 85 K 8.10 4.26 0.00 1.87 2.02 0.00 1.74 0.00 0.00 1.88 0.00 0.00 3.15 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.45 7.81 86 P 0.00 4.77 0.00 2.04 1.97 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.99 0.00 87 L 8.86 4.86 0.00 1.50 1.53 0.95 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.57 5.09 0.00 1.60 1.54 1.14 1.03 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 89 I 8.95 4.61 1.88 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 1.23 0.64 0.90 0.00 0.00 90 L 8.52 5.11 0.00 1.46 1.43 0.98 0.93 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 91 S 8.54 4.35 0.00 3.76 3.88 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 92 G 8.70 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 0.00 0.00 0.00 93 Q 8.57 3.89 0.00 2.12 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 94 A 7.86 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.70 3.86 1.30 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 0.00 0.00 96 E 8.07 3.83 0.00 2.08 2.08 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 2.28 2.33 0.00 97 L 8.19 3.92 0.00 1.94 1.62 0.90 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.28 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.27 4.08 0.00 4.01 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 0.00 100 Q 7.85 4.03 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.97 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 101 L 7.79 4.28 0.00 1.75 1.70 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 8.07 3.50 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.99 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 103 V 8.07 3.98 2.18 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 0.76 0.00 0.00 0.94 0.00 0.00 104 E 9.02 4.72 0.00 1.84 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 2.22 2.24 0.00 105 N 8.09 5.06 0.00 2.60 2.62 0.00 0.00 6.94 7.44 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 0.00 106 I 8.34 4.99 1.84 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 1.35 0.60 0.92 0.00 0.00 107 H 9.24 5.01 0.00 3.09 3.16 0.00 5.75 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.52 5.19 0.00 1.56 1.46 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 109 S 9.10 4.85 0.00 3.90 3.62 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 0.00 110 I 8.29 5.07 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 1.21 0.77 0.90 0.00 0.00 111 S 8.46 4.68 0.00 3.80 3.65 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 0.00 112 D 8.43 5.11 0.00 2.92 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 0.00 113 E 8.76 4.84 0.00 2.03 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 2.28 2.41 0.00 114 R 8.04 3.99 0.00 1.70 1.80 0.00 3.10 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 115 H 8.58 4.65 0.00 3.04 2.61 0.00 5.75 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 7.86 5.29 0.00 3.00 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 0.00 117 A 9.19 5.39 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 *119 A 8.22 4.57 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 0.00 120 T 8.57 5.14 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 1.22 0.00 0.00 121 V 8.95 4.95 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 0.97 0.00 0.00 0.90 0.00 0.00 122 I 8.87 5.07 1.90 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 1.22 0.58 0.92 0.00 0.00 123 L 8.82 5.14 0.00 1.58 1.56 0.95 0.50 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 0.00 124 E 8.98 4.92 0.00 2.03 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 2.20 2.27 0.00 125 R 8.43 4.60 0.00 1.92 1.81 0.00 3.49 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.