NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.3159 8.0932 114.8067 58.1564 64.4756 173.9329 2 V 3.6952 8.0989 112.6300 63.9136 30.6743 177.2940 3 L 4.0658 8.5864 120.5283 57.4486 41.7506 178.9078 4 E 4.0174 7.9177 118.2165 59.2293 29.5568 178.6535 5 L 4.0240 8.0476 120.5399 58.2990 42.0838 179.3725 6 G 3.6546 8.4681 105.8163 47.5246 0.0000 175.6742 7 K 3.9420 7.8247 121.5950 59.5485 32.1706 178.9352 8 M 3.8380 7.8048 118.4669 58.3720 31.7763 178.7863 9 I 3.5428 7.6871 119.9175 64.1889 37.3079 178.1270 10 L 3.9959 7.9783 121.1540 58.3672 41.6428 179.1465 11 Q 3.5605 7.8798 117.1305 58.6600 28.4812 178.1141 12 E 4.2373 7.9326 118.7202 58.4229 29.9293 178.1491 13 T 4.4402 8.0939 107.5610 60.7110 70.3825 175.7865 14 G 3.7361 7.6792 109.6504 45.9320 0.0000 173.1515 *16 K 4.7094 7.5208 116.9077 55.9119 33.3988 174.8272 17 N 4.5266 8.3590 119.0121 52.9814 39.4529 175.7416 18 A 4.3118 8.8513 129.4897 55.5285 19.2276 179.3248 19 I 4.0888 8.2697 116.6045 64.9452 37.4754 178.5319 20 T 4.1067 8.0730 108.6993 64.4824 69.0860 176.2977 21 S 4.3509 8.1762 117.4657 60.3241 62.8326 174.4240 22 Y 4.8600 8.1424 115.1656 57.5843 39.6253 176.8669 23 G 4.5178 8.3790 108.4808 46.6545 0.0000 175.1135 24 S 4.6969 8.0168 114.0218 58.2242 65.3677 172.7787 25 Y 4.4287 8.2083 121.8773 58.4058 39.5839 176.7340 26 G 3.3717 8.1445 115.3858 46.6967 0.0000 172.6102 27 C 4.7887 8.9393 116.5287 57.4528 40.9161 173.9568 28 N 4.8434 8.7670 114.6558 52.9757 40.5781 175.0813 29 C 4.3848 8.6907 115.0208 59.1110 35.9477 174.6995 30 G 4.0339 8.0198 108.4269 45.4827 0.0000 172.5339 31 W 4.3736 9.0779 123.7488 58.6656 29.3222 176.0996 32 G 4.3422 9.3075 112.4544 45.9356 0.0000 173.5275 33 H 4.3364 8.0048 116.0132 56.3446 29.2385 174.6802 34 R 4.7108 8.8276 121.6928 54.1927 33.1400 174.6060 35 G 4.1865 8.1849 110.0381 44.1288 0.0000 171.7317 36 Q 4.0306 7.6840 121.3632 54.6190 29.6030 174.0136 37 P 4.6137 0.0000 0.0000 62.5994 32.0060 176.5589 38 K 4.0665 8.1950 119.9462 57.3805 33.1498 175.6288 39 D 4.4018 7.0548 115.9176 51.4720 41.7897 175.7150 40 A 3.9991 8.4451 119.7999 55.5479 18.0828 179.8737 41 T 3.7806 7.8582 113.9773 66.9833 68.7224 176.2034 42 D 4.4140 8.5333 119.8245 56.9875 41.2025 178.2060 43 R 3.9365 8.0691 119.6816 59.4320 30.1394 177.7678 44 C 4.2417 8.2519 116.3616 60.3435 36.6286 175.3898 45 C 4.0448 7.8711 118.1117 60.0614 33.9732 176.0627 46 F 4.0380 8.1063 121.7464 61.0283 38.9774 177.5704 47 V 3.4663 7.9479 118.1484 65.8486 31.2137 177.6576 48 H 3.8597 7.7907 117.5809 58.9959 29.7536 177.0141 49 K 3.6153 7.4967 120.3326 60.0548 31.7393 178.6254 50 C 4.1687 7.3260 113.9907 59.5425 34.4194 175.1233 51 C 4.2916 7.6124 119.9971 59.6730 44.4208 175.0112 52 Y 4.3515 7.7740 118.3962 61.1916 37.2584 178.7186 53 K 3.9699 7.9957 117.9695 58.7916 32.1860 178.6246 54 K 4.4610 7.6574 117.1988 56.9605 32.5086 176.9614 55 L 4.2358 7.7269 119.3321 54.5216 40.5456 176.3907 56 T 4.1443 8.1948 114.6096 62.9326 69.8903 176.4711 *59 D 5.0057 8.1525 120.8166 54.2365 42.5192 173.5642 *61 C 4.5341 7.6975 113.0784 55.2513 44.1307 172.0414 *67 N 5.2627 8.5108 116.9049 53.6859 39.2553 174.7996 68 H 4.1623 8.3584 121.1118 57.6769 29.3952 177.6397 69 K 4.0845 8.6051 121.1097 58.4871 32.1795 178.3085 70 T 4.5687 7.8185 104.4767 61.0339 70.2986 173.3982 71 D 4.6573 8.0789 123.2278 53.6157 41.7311 176.2894 72 R 4.6607 8.5935 122.2981 54.7266 31.4219 175.0104 73 Y 5.0366 7.6431 117.3839 55.4579 41.3555 173.9025 74 S 5.0399 9.0306 115.5935 57.2097 63.6688 172.7218 75 Y 5.3272 8.3252 123.0555 56.1681 40.4033 173.8459 76 S 4.5737 9.6687 116.5173 56.5744 67.2419 173.2689 77 W 5.2609 8.7908 132.5947 55.7204 31.3445 174.1018 78 K 4.2662 8.7653 127.9207 55.1264 34.2721 176.0050 79 N 3.9395 8.9686 123.8614 54.9215 35.6448 173.9598 80 K 2.5415 7.3826 109.3498 56.7607 30.3375 175.3364 81 A 4.7221 6.6384 117.6194 50.2148 23.1605 175.9842 82 I 5.1441 8.6139 120.3757 60.4946 38.5670 175.3722 83 I 4.5186 9.9584 128.9860 59.6668 39.9391 174.4465 84 C 4.8125 8.8339 124.9658 56.2868 40.4755 173.7477 *86 E 4.5212 8.5716 122.2163 55.6165 31.1488 176.1754 87 E 4.2502 8.2762 120.8952 55.8810 30.4766 176.1284 88 K 4.3308 8.4292 122.8006 57.9259 34.5677 177.2272 89 N 4.2751 8.1614 118.2141 53.3955 39.9877 173.7213 90 P 4.2801 0.0000 0.0000 66.1224 31.5444 179.1842 91 C 4.3139 8.5533 118.3275 59.2884 42.0330 175.5610 92 L 3.9482 8.0686 120.3812 57.4540 41.2385 179.0248 93 K 3.7898 8.0869 119.6173 59.6551 32.1310 178.7251 94 E 3.8920 8.0528 118.4513 59.3741 29.4284 178.9573 95 M 4.0366 7.9903 118.3925 58.8709 32.2556 177.4796 96 C 3.4829 7.8783 118.8559 59.4126 39.6654 175.4324 97 E 3.7714 8.1857 120.4027 59.4035 28.8430 178.6768 98 C 4.2634 8.1911 116.7774 59.9098 38.1000 175.9357 99 D 4.1879 7.9659 120.0509 57.1857 40.5681 178.4485 100 K 3.7257 8.0908 120.0412 59.7315 31.9836 178.5690 101 A 3.9873 7.9301 121.0268 54.9381 18.2300 180.0112 102 V 3.3832 7.4970 117.5613 64.5466 31.4803 178.6698 103 A 3.7806 7.8169 121.5342 54.8571 18.2920 179.5456 104 I 3.6324 7.7389 118.3686 64.7140 36.7872 177.8811 105 C 4.2390 8.3346 119.3821 59.5898 43.2451 175.3898 106 L 3.8667 7.8383 119.9063 57.8554 41.2899 179.2695 107 R 4.0246 7.7429 117.9597 59.5681 29.8710 178.4594 108 E 4.1105 8.1209 116.7916 58.1959 29.7911 177.4407 109 N 5.2034 7.3804 113.3285 52.0864 39.4270 176.3863 110 L 4.2374 7.6964 120.9512 57.0492 41.9077 178.4116 111 D 4.6887 8.1244 117.5936 54.4846 39.9564 177.2938 112 T 4.6938 7.6473 108.4667 61.3424 69.2584 173.4297 113 Y 4.3633 7.7077 122.9327 58.2965 39.4955 175.1790 114 N 4.8740 8.2556 121.2600 52.0928 41.6855 175.1005 115 K 4.2964 8.8589 125.0584 58.1665 32.9559 178.0558 116 K 4.2361 8.8004 119.0515 57.8075 33.1799 176.7841 117 Y 4.5474 7.4912 117.3613 57.6975 38.3363 177.3406 118 K 4.2231 7.6097 121.1906 58.7874 32.5023 176.7985 119 A 4.7506 7.7263 120.1800 50.2592 18.5496 174.2745 120 Y 4.2134 8.7299 118.6965 56.3703 40.0985 177.0707 121 F 3.8750 8.6098 121.3426 61.2675 39.4856 175.8209 122 K 3.9144 7.3228 117.7582 57.2255 33.0519 175.9389 *124 L 3.8866 7.4520 116.4040 54.4816 42.5593 175.4432 125 K 4.5820 8.0184 117.6836 55.5664 33.8256 177.2095 126 C 4.6759 8.2074 118.6228 56.0142 40.4014 173.5996 *128 K 4.3038 8.8997 122.7532 55.7199 33.8103 175.0813 129 K 4.5375 8.4250 120.5239 56.1157 33.2867 175.5056 130 P 4.3820 0.0000 0.0000 62.5133 32.2763 176.4724 131 D 4.6213 7.9427 119.2368 54.1317 42.4417 175.2521 132 T 4.7256 8.1046 113.2740 60.8574 69.4510 175.3396 133 C 4.5404 8.7184 122.9657 57.3897 41.2769 173.6620 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 1 S 8.09 5.32 0.00 4.20 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 V 8.10 3.70 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.03 0.00 0.00 3 L 8.59 4.07 0.00 1.62 1.71 0.91 1.24 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 4 E 7.92 4.02 0.00 1.47 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 0.00 1.75 2.38 0.00 5 L 8.05 4.02 0.00 2.06 1.88 0.76 0.80 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 6 G 8.47 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 0.00 0.00 0.00 7 K 7.82 3.94 0.00 1.98 2.05 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.62 1.46 7.81 8 M 7.80 3.84 0.00 1.94 2.08 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.04 0.00 9 I 7.69 3.54 2.07 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.53 0.99 0.00 0.00 10 L 7.98 4.00 0.00 1.80 1.80 0.94 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 7.88 3.56 0.00 1.08 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.71 0.00 0.00 0.00 0.00 0.00 1.52 2.06 0.00 12 E 7.93 4.24 0.00 1.83 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 2.20 2.44 0.00 13 T 8.09 4.44 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 14 G 7.68 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *16 K 7.52 4.71 0.00 1.82 1.84 0.00 1.52 0.00 0.00 2.25 0.00 0.00 2.30 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 1.19 7.81 17 N 8.36 4.53 0.00 2.73 2.71 0.00 0.00 6.79 7.72 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 18 A 8.85 4.31 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 19 I 8.27 4.09 2.06 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 1.67 1.31 0.92 0.00 0.00 20 T 8.07 4.11 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 21 S 8.18 4.35 0.00 3.59 3.33 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 22 Y 8.14 4.86 0.00 3.23 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 23 G 8.38 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 0.00 0.00 0.00 0.00 24 S 8.02 4.70 0.00 4.02 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 25 Y 8.21 4.43 0.00 3.13 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 26 G 8.14 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 0.00 0.00 0.00 27 C 8.94 4.79 0.00 3.10 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 28 N 8.77 4.84 0.00 3.02 2.89 0.00 0.00 6.96 7.57 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 29 C 8.69 4.38 0.00 3.34 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 30 G 8.02 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 W 9.08 4.37 0.00 3.70 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 32 G 9.31 4.34 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 0.00 33 H 8.00 4.34 0.00 3.43 3.45 0.00 5.64 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.83 4.71 0.00 1.76 1.79 0.00 3.58 0.00 0.00 3.35 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 35 G 8.18 4.19 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 0.00 0.00 0.00 36 Q 7.68 4.03 0.00 2.17 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.83 0.00 0.00 0.00 0.00 0.00 2.26 2.17 0.00 37 P 0.00 4.61 0.00 1.93 1.94 0.00 3.46 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 38 K 8.19 4.07 0.00 0.79 1.02 0.00 1.68 0.00 0.00 1.50 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.75 0.21 7.81 39 D 7.05 4.40 0.00 2.80 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 40 A 8.45 4.00 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 41 T 7.86 3.78 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 0.90 0.00 0.00 42 D 8.53 4.41 0.00 2.92 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 43 R 8.07 3.94 0.00 1.93 2.04 0.00 3.13 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 44 C 8.25 4.24 0.00 3.05 2.99 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 45 C 7.87 4.04 0.00 3.09 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 46 F 8.11 4.04 0.00 3.19 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 0.00 47 V 7.95 3.47 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 0.87 0.00 0.00 1.03 0.00 0.00 48 H 7.79 3.86 0.00 3.11 3.20 0.00 5.69 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 49 K 7.50 3.62 0.00 1.74 1.72 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.47 7.81 50 C 7.33 4.17 0.00 2.88 2.94 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 51 C 7.61 4.29 0.00 2.98 3.01 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 52 Y 7.77 4.35 0.00 3.04 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 53 K 8.00 3.97 0.00 1.84 1.86 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.47 7.81 54 K 7.66 4.46 0.00 1.71 1.85 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.67 7.81 55 L 7.73 4.24 0.00 1.81 1.62 0.93 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 56 T 8.19 4.14 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 *59 D 8.15 5.01 0.00 2.75 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 *61 C 7.70 4.53 0.00 3.27 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.51 5.26 0.00 2.73 2.79 0.00 0.00 7.44 7.89 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 68 H 8.36 4.16 0.00 1.96 2.66 0.00 5.50 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 69 K 8.61 4.08 0.00 1.82 1.89 0.00 1.87 0.00 0.00 1.95 0.00 0.00 3.13 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.22 1.51 7.81 70 T 7.82 4.57 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 71 D 8.08 4.66 0.00 2.94 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 72 R 8.59 4.66 0.00 1.79 1.80 0.00 3.19 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 73 Y 7.64 5.04 0.00 2.99 2.89 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 74 S 9.03 5.04 0.00 3.99 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 75 Y 8.33 5.33 0.00 3.28 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 76 S 9.67 4.57 0.00 3.84 3.76 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 77 W 8.79 5.26 0.00 3.33 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 78 K 8.77 4.27 0.00 1.74 1.50 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.27 1.34 7.81 79 N 8.97 3.94 0.00 2.75 2.74 0.00 0.00 7.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 K 7.38 2.54 0.00 1.67 1.71 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.19 1.20 7.81 81 A 6.64 4.72 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 82 I 8.61 5.14 2.04 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 1.56 1.24 1.00 0.00 0.00 83 I 9.96 4.52 1.96 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.96 0.96 0.00 0.00 84 C 8.83 4.81 0.00 2.99 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 *86 E 8.57 4.52 0.00 1.96 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 2.26 2.33 0.00 87 E 8.28 4.25 0.00 2.19 1.86 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 2.30 2.39 0.00 88 K 8.43 4.33 0.00 1.90 1.91 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.41 7.81 89 N 8.16 4.28 0.00 2.83 2.96 0.00 0.00 6.87 7.10 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 90 P 0.00 4.28 0.00 2.30 2.29 0.00 3.75 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 91 C 8.55 4.31 0.00 3.03 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 92 L 8.07 3.95 0.00 1.90 1.80 1.10 0.94 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 93 K 8.09 3.79 0.00 1.99 1.94 0.00 1.48 0.00 0.00 1.85 0.00 0.00 3.19 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.48 7.81 94 E 8.05 3.89 0.00 2.22 1.96 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 2.47 2.44 0.00 95 M 7.99 4.04 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.73 0.00 96 C 7.88 3.48 0.00 1.91 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 97 E 8.19 3.77 0.00 2.07 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 2.45 2.45 0.00 98 C 8.19 4.26 0.00 3.23 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 99 D 7.97 4.19 0.00 2.89 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 0.00 100 K 8.09 3.73 0.00 1.74 1.79 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.48 7.81 101 A 7.93 3.99 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 0.00 102 V 7.50 3.38 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 0.53 0.00 0.00 0.67 0.00 0.00 103 A 7.82 3.78 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 0.00 104 I 7.74 3.63 1.84 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 1.01 0.91 0.00 0.00 105 C 8.33 4.24 0.00 3.07 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 0.00 106 L 7.84 3.87 0.00 1.37 1.46 0.12 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.74 4.02 0.00 1.99 2.14 0.00 3.11 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.94 0.00 108 E 8.12 4.11 0.00 2.11 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 2.48 2.49 0.00 109 N 7.38 5.20 0.00 2.95 2.80 0.00 0.00 7.15 6.62 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 0.00 110 L 7.70 4.24 0.00 1.77 1.73 0.95 0.90 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 0.00 111 D 8.12 4.69 0.00 2.86 2.94 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 0.00 112 T 7.65 4.69 4.32 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 1.26 0.00 0.00 113 Y 7.71 4.36 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 0.00 114 N 8.26 4.87 0.00 2.82 2.80 0.00 0.00 7.35 6.41 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 0.00 115 K 8.86 4.30 0.00 2.12 2.25 0.00 1.62 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.44 7.81 116 K 8.80 4.24 0.00 1.65 1.78 0.00 1.21 0.00 0.00 0.86 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.95 0.56 7.81 117 Y 7.49 4.55 0.00 2.01 1.65 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 0.00 118 K 7.61 4.22 0.00 1.79 2.12 0.00 2.01 0.00 0.00 1.84 0.00 0.00 3.13 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.58 1.61 7.81 119 A 7.73 4.75 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 0.00 120 Y 8.73 4.21 0.00 3.28 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 0.00 121 F 8.61 3.87 0.00 3.14 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 K 7.32 3.91 0.00 1.67 1.76 0.00 1.84 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.63 7.81 *124 L 7.45 3.89 0.00 0.27 1.14 0.62 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 125 K 8.02 4.58 0.00 1.78 1.72 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.37 7.81 126 C 8.21 4.68 0.00 2.84 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 *128 K 8.90 4.30 0.00 1.70 1.77 0.00 2.04 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.28 7.81 129 K 8.42 4.54 0.00 1.76 1.81 0.00 1.57 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.42 7.81 130 P 0.00 4.38 0.00 2.37 2.35 0.00 3.78 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 2.04 2.05 0.00 131 D 7.94 4.62 0.00 2.48 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 0.00 132 T 8.10 4.73 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 1.25 0.00 0.00 133 C 8.72 4.54 0.00 2.96 2.89 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 * Residues marked with a * may have inaccurate shift predictions.