NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 T 4.4068 8.0333 112.9183 60.2550 70.8320 173.2686 3 K 5.1724 8.0606 121.3832 54.3165 36.6018 172.9425 4 A 5.3884 8.9068 124.2301 50.8276 23.8828 174.7375 5 V 4.9745 8.6543 117.0246 60.9793 35.3774 173.2906 6 C 4.9272 9.3006 122.2975 58.0353 35.3808 172.6025 7 V 4.5863 8.4643 126.0321 61.4504 33.0308 174.1337 8 L 4.8311 8.8612 129.3557 53.8856 43.1846 176.2226 9 K 4.8676 9.0224 121.9207 55.4839 37.1130 176.2804 10 G 4.5153 8.0039 108.4877 45.2127 0.0000 171.9416 11 D 4.6363 8.8032 117.9784 54.8648 42.0618 177.0369 12 G 4.3424 7.5997 109.3390 44.2973 0.0000 171.8205 13 P 4.4528 0.0000 0.0000 63.3463 32.1172 176.1142 14 V 4.5913 7.7950 120.4944 62.1769 32.1130 174.9263 15 Q 4.7737 8.0663 124.2397 55.5690 32.0555 173.6684 16 G 4.1148 8.1331 106.3641 46.4588 0.0000 171.6813 17 I 5.1895 7.9893 119.4781 59.5442 41.2919 175.0013 18 I 4.7198 8.8318 127.1712 59.4793 40.6266 174.2022 19 N 5.0398 8.3751 124.1202 51.3756 41.1254 173.8904 20 F 5.4849 8.9762 120.4367 55.7977 43.0246 173.8874 21 E 5.2749 9.5734 122.7964 54.8052 33.4071 173.7506 22 Q 4.8690 9.1009 127.4750 54.5405 30.9516 174.9460 23 K 3.9814 9.0694 129.5501 59.8387 32.7794 177.8531 *24 E 4.3158 8.0542 118.8575 56.1892 31.4334 178.5714 *25 S 4.1920 8.6284 119.0318 61.5430 62.5033 175.0115 *26 N 5.1285 7.9739 115.8821 52.0722 38.5596 177.0675 27 G 4.2055 8.0658 108.8438 43.4094 0.0000 172.1140 28 P 4.6168 0.0000 0.0000 62.5173 32.2616 176.3799 29 V 4.6043 9.0722 123.5199 61.2613 33.7303 174.7875 30 K 4.9424 9.3318 128.7139 55.9206 33.6823 176.2861 31 V 5.0624 9.1060 124.4748 59.6805 34.3639 174.5616 32 W 5.9663 7.5804 120.7022 55.3878 32.0755 175.2004 33 G 3.6448 7.5911 106.9090 45.9492 0.0000 170.2703 34 S 5.1264 7.7570 112.8724 56.5495 66.0009 173.8677 35 I 5.0396 8.8770 127.7832 59.3180 40.2720 174.8945 36 K 4.7724 9.3385 125.8528 55.6832 35.9687 177.0355 37 G 3.7869 8.8682 106.8658 45.6687 0.0000 173.5016 38 L 4.4737 7.6795 119.9268 53.0167 43.1115 176.3713 39 T 4.2940 8.1239 110.8052 61.0260 69.5328 174.1183 40 E 4.1148 8.6490 124.5662 57.8348 30.4466 175.1967 41 G 3.7976 8.5194 110.2714 43.9528 0.0000 172.4357 42 L 4.8593 8.2093 118.8765 54.8313 42.9014 176.5566 43 H 5.0190 9.2253 119.1623 53.7502 33.1624 173.3633 44 G 4.0661 9.1153 110.9504 46.8468 0.0000 172.5650 45 F 5.4014 8.9068 125.0100 57.1952 42.4141 172.8767 46 H 5.2642 8.8883 122.7202 54.1855 33.8655 172.7268 47 V 4.4710 8.4727 121.3554 62.4077 32.7865 175.0800 48 H 5.0740 9.5002 126.1469 54.4675 30.7471 175.9975 49 E 3.6573 9.1192 122.2172 59.0295 29.3015 177.1886 50 F 4.9371 8.0159 118.3706 55.9291 40.9834 176.4079 51 G 4.1976 8.4323 113.0459 44.6056 0.0000 174.0207 52 D 4.7799 8.0104 118.2101 52.5680 42.9992 174.3196 53 N 5.1307 8.5014 125.0700 53.4559 39.4498 176.2663 54 T 3.8384 8.8363 109.9332 63.5921 68.7070 174.8240 55 A 4.6021 8.2759 124.1827 51.4123 19.9942 177.5314 56 G 3.8324 7.7888 109.6811 46.3270 0.0000 174.2674 57 C 4.4059 8.6358 114.4402 59.9104 34.8469 176.1595 58 T 3.8189 7.9849 116.5769 66.6395 67.7544 176.2069 59 S 4.3163 7.8332 114.9954 60.5855 63.0653 175.7954 60 A 4.4801 7.5656 124.9358 53.8740 18.3319 178.6218 61 G 4.2256 8.1637 105.5574 44.7219 0.0000 170.6001 62 P 4.7034 0.0000 0.0000 62.0397 34.0465 175.3204 63 H 4.5630 8.3714 116.3112 55.6321 29.6239 175.6254 64 F 4.2744 9.0477 125.2572 58.2937 40.3101 175.1252 65 N 5.1619 7.9688 125.5513 51.8440 39.1669 172.8949 66 P 4.1903 0.0000 0.0000 65.0311 32.1898 178.0508 67 L 4.2202 7.6059 116.4353 53.9924 42.2075 176.1317 68 S 3.6151 7.4274 113.4505 59.8403 60.4607 171.3700 69 R 4.5239 8.2183 118.2113 54.3357 32.5702 176.5213 70 K 4.4078 8.4909 118.2306 55.8842 33.7228 176.5008 71 H 3.9945 8.8037 123.2302 56.8022 30.3292 174.9876 72 G 4.1001 7.6065 110.6847 44.5666 0.0000 171.7600 73 G 4.1768 9.2369 109.5549 43.1512 0.0000 173.2923 74 P 4.3859 0.0000 0.0000 65.3307 31.2774 177.7071 75 K 4.2198 7.8958 116.1241 57.3782 32.5200 176.7358 76 D 4.6011 7.6991 119.5963 53.6202 41.4985 176.3315 77 E 3.9084 8.7280 123.7579 58.7769 29.7408 176.3463 78 E 4.2806 7.9371 121.1303 55.0601 28.5598 174.6235 79 R 4.6850 7.5731 119.7491 55.5417 32.5086 174.6755 80 H 4.5514 9.2222 116.3783 55.0393 29.5444 177.0733 81 V 3.4571 8.2205 122.0453 66.1592 31.4344 177.3293 82 G 3.8880 8.2705 106.3468 46.3241 0.0000 173.1912 83 D 4.9704 7.7635 121.0614 53.8060 38.9712 175.9178 84 L 4.5254 8.4032 119.4877 54.1523 43.3808 178.6782 85 G 4.1035 8.1920 106.4014 45.7093 0.0000 172.8344 86 N 5.6571 8.5931 120.7527 51.5436 41.7454 174.1112 87 V 4.4191 8.6406 114.0751 59.8958 35.7262 174.7313 88 T 5.0154 8.1862 117.7346 61.8642 71.5589 172.9993 89 A 4.9142 9.0925 129.1187 50.6011 21.2564 177.0904 90 D 4.9986 8.7742 122.0921 51.9463 41.1545 177.2260 91 K 4.0311 8.4652 117.2089 59.2062 32.5578 177.1594 92 D 4.5476 8.3891 118.6734 54.1834 41.2263 177.2458 93 G 4.3261 8.6299 108.8868 44.2545 0.0000 172.6637 94 V 4.6915 7.7819 119.9581 61.1504 33.4888 174.3428 95 A 5.1131 8.9512 130.7984 50.1465 20.1942 175.6902 96 D 4.8677 8.5447 123.3818 53.6352 40.1740 176.0020 97 V 3.6103 8.4637 123.4142 62.8680 33.1176 175.0238 98 S 4.5997 8.3158 122.3126 57.9138 63.8895 172.9979 99 I 4.8538 9.1727 128.0912 59.3966 41.7149 174.1362 100 E 5.1746 8.8102 124.8033 54.5752 32.3839 174.3829 101 D 4.8871 9.3684 125.5323 52.8599 44.9468 175.6227 102 S 4.8025 8.9366 119.4295 58.5269 63.8623 174.8712 103 V 4.0572 8.2430 121.2117 64.6483 31.9346 176.6075 104 I 4.0679 7.7794 110.8840 61.1784 38.3906 174.2282 105 S 4.6381 8.4133 114.7162 57.6799 65.4931 174.0149 106 L 4.5312 8.8502 121.6090 54.0540 41.4157 176.4275 107 S 4.4310 7.9081 112.5106 58.5086 66.1345 175.5107 108 G 3.8531 8.4949 109.0247 44.7831 0.0000 173.5139 109 D 4.4319 8.7243 117.1829 57.5286 40.9701 176.9449 110 H 4.9947 8.1034 114.6880 55.6867 28.9995 174.0756 111 C 4.5101 8.1089 121.0196 59.5745 31.8721 173.3812 112 I 3.9629 8.0212 118.4109 60.2447 37.9323 175.5246 113 I 3.6964 7.3282 122.9375 62.9359 37.4794 176.3277 114 G 3.8027 9.3783 113.1593 45.5319 0.0000 173.0591 115 R 4.8001 7.4086 119.5107 54.7395 33.5804 174.5336 116 T 5.0097 7.9869 115.0460 62.1280 71.6576 173.4285 117 L 4.7422 8.5274 128.4786 53.9013 44.0230 175.2684 118 V 4.9129 8.7775 126.1994 60.9545 34.8709 174.2173 119 V 5.0345 8.5582 126.9859 60.5143 33.7602 174.8355 120 H 5.2695 8.7992 120.8852 54.0495 30.8579 174.6390 121 E 4.2021 9.3816 121.5450 58.9422 29.9853 176.5110 122 K 4.8003 8.4219 117.0493 53.7615 36.7552 175.7423 123 A 4.3737 8.3169 123.4954 52.1492 18.9256 176.2625 124 D 4.6481 9.2495 122.3080 53.7363 41.6775 176.2161 125 D 4.5637 9.1990 125.5097 53.3068 39.3367 176.7144 126 L 3.5162 9.9177 119.4672 56.1226 39.6524 176.0084 127 G 4.0519 8.6833 104.9524 45.8553 0.0000 174.7827 128 K 4.4694 7.9870 116.9827 56.0254 32.0083 177.5768 129 G 3.7266 7.8264 109.2648 45.1943 0.0000 176.3831 130 G 3.9237 8.3076 107.1903 45.4172 0.0000 172.7331 131 N 4.9149 7.2711 116.0494 50.5328 39.9526 175.1383 132 E 4.0353 8.6706 118.2181 59.5510 29.4598 178.2665 133 E 3.9523 8.1512 118.7492 59.1557 29.5830 178.4485 134 S 4.1128 8.2216 113.4362 61.3325 62.4457 175.5344 135 T 4.2498 7.8470 110.2203 62.5902 68.5647 175.4941 136 K 4.2950 7.6853 119.4635 57.7931 34.2609 176.7033 137 T 4.1175 7.8437 105.8468 60.1235 70.0539 174.9984 138 G 3.8856 8.0440 110.7193 45.8059 0.0000 173.7817 139 N 4.2999 7.8438 114.5315 53.9385 36.7242 175.9414 140 A 4.1777 7.1582 120.4763 52.1829 19.2348 180.0699 141 G 4.0096 7.3373 104.0920 45.1015 0.0000 173.7452 142 S 4.4144 8.6568 116.2474 58.8075 64.4912 174.0452 143 R 4.5713 8.3765 121.0805 55.2977 30.0788 176.4770 144 L 4.3576 8.8946 125.4504 57.2092 43.1888 177.0323 145 A 5.0012 7.7443 118.0309 51.2222 22.8822 174.0587 146 C 5.1147 9.1210 114.0092 55.0530 45.4509 172.6215 147 G 4.6461 8.4929 104.3704 46.2230 0.0000 172.5870 148 V 4.5461 8.2185 120.6952 61.9741 32.9673 175.4827 149 I 4.1111 8.8564 129.3600 61.0016 38.0544 175.4021 150 G 4.4121 8.9134 114.3342 43.8565 0.0000 172.0125 151 I 4.3307 8.2738 120.9417 61.0998 37.6752 175.6274 152 A 4.7892 8.4741 127.7660 49.6535 22.1734 176.3070 153 Q 4.0656 8.4731 118.6260 56.4882 29.2197 175.8246 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 *2 T 8.03 4.41 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 3 K 8.06 5.17 0.00 1.78 1.74 0.00 1.70 0.00 0.00 1.96 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.60 7.81 4 A 8.91 5.39 1.08 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 5 V 8.65 4.97 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.95 0.00 0.00 6 C 9.30 4.93 0.00 3.11 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 7 V 8.46 4.59 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 0.94 0.00 0.00 0.92 0.00 0.00 8 L 8.86 4.83 0.00 1.76 1.58 0.99 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.02 4.87 0.00 1.66 1.62 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.38 7.81 10 G 8.00 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 11 D 8.80 4.64 0.00 2.68 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 7.60 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 13 P 0.00 4.45 0.00 2.18 2.17 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.94 0.00 14 V 7.80 4.59 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.93 0.00 0.00 15 Q 8.07 4.77 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.52 0.00 0.00 0.00 0.00 0.00 2.49 2.35 0.00 16 G 8.13 4.11 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 0.00 17 I 7.99 5.19 1.81 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 1.20 1.13 0.82 0.00 0.00 18 I 8.83 4.72 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.33 0.42 0.00 0.00 19 N 8.38 5.04 0.00 1.44 1.45 0.00 0.00 6.44 8.17 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 20 F 8.98 5.48 0.00 2.91 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 21 E 9.57 5.27 0.00 2.48 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 2.32 2.39 0.00 22 Q 9.10 4.87 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.75 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 23 K 9.07 3.98 0.00 1.81 1.87 0.00 1.84 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.46 7.81 *24 E 8.05 4.32 0.00 1.87 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 2.21 2.37 0.00 *25 S 8.63 4.19 0.00 3.61 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 *26 N 7.97 5.13 0.00 2.68 2.64 0.00 0.00 6.49 7.51 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 27 G 8.07 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.62 0.00 1.99 2.03 0.00 3.68 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 29 V 9.07 4.60 2.24 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 1.33 0.00 0.00 1.07 0.00 0.00 30 K 9.33 4.94 0.00 1.94 1.83 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.41 7.81 31 V 9.11 5.06 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 1.03 0.00 0.00 0.80 0.00 0.00 32 W 7.58 5.97 0.00 3.51 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 33 G 7.59 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 34 S 7.76 5.13 0.00 3.89 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 35 I 8.88 5.04 1.81 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 1.28 0.44 0.89 0.00 0.00 36 K 9.34 4.77 0.00 1.73 1.88 0.00 1.34 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.34 7.81 37 G 8.87 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.68 4.47 0.00 1.80 1.41 0.82 0.21 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 39 T 8.12 4.29 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 1.25 0.00 0.00 40 E 8.65 4.11 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 41 G 8.52 3.80 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 42 L 8.21 4.86 0.00 1.51 1.59 0.92 0.93 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 43 H 9.23 5.02 0.00 3.02 3.29 0.00 5.63 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 44 G 9.12 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 45 F 8.91 5.40 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.89 5.26 0.00 3.14 2.89 0.00 5.67 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 47 V 8.47 4.47 2.14 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 0.93 0.00 0.00 0.91 0.00 0.00 48 H 9.50 5.07 0.00 3.06 3.42 0.00 5.69 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 9.12 3.66 0.00 1.62 1.12 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 1.47 2.04 0.00 50 F 8.02 4.94 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 51 G 8.43 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 0.00 0.00 0.00 0.00 52 D 8.01 4.78 0.00 2.62 2.78 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 53 N 8.50 5.13 0.00 2.76 2.70 0.00 0.00 6.90 7.22 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 54 T 8.84 3.84 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 1.24 0.00 0.00 55 A 8.28 4.60 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 56 G 7.79 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 C 8.64 4.41 0.00 2.98 3.11 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 58 T 7.98 3.82 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 1.23 0.00 0.00 59 S 7.83 4.32 0.00 4.07 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 60 A 7.57 4.48 1.41 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 0.00 0.00 61 G 8.16 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 0.00 0.00 0.00 0.00 62 P 0.00 4.70 0.00 2.05 2.22 0.00 3.73 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 2.00 2.02 0.00 63 H 8.37 4.56 0.00 2.80 3.18 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.05 4.27 0.00 2.98 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 65 N 7.97 5.16 0.00 2.59 2.45 0.00 0.00 6.93 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.19 0.00 2.06 1.95 0.00 3.04 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.23 0.00 67 L 7.61 4.22 0.00 1.57 1.69 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.43 3.62 0.00 4.02 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 69 R 8.22 4.52 0.00 1.87 2.05 0.00 3.29 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.79 0.00 70 K 8.49 4.41 0.00 1.79 1.69 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.44 1.25 7.81 71 H 8.80 3.99 0.00 3.20 3.29 0.00 5.91 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.61 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 0.00 0.00 0.00 73 G 9.24 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 0.00 0.00 0.00 0.00 74 P 0.00 4.39 0.00 2.23 2.34 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 75 K 7.90 4.22 0.00 2.03 1.90 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.43 1.02 7.81 76 D 7.70 4.60 0.00 2.78 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 77 E 8.73 3.91 0.00 1.92 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 2.28 2.29 0.00 78 E 7.94 4.28 0.00 2.06 1.82 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 2.31 2.30 0.00 79 R 7.57 4.69 0.00 1.96 1.78 0.00 2.86 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 80 H 9.22 4.55 0.00 3.46 3.37 0.00 5.65 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 81 V 8.22 3.46 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.40 0.00 0.00 82 G 8.27 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 0.00 0.00 0.00 83 D 7.76 4.97 0.00 2.78 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.40 4.53 0.00 2.05 1.95 0.97 1.01 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 85 G 8.19 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 0.00 0.00 0.00 86 N 8.59 5.66 0.00 2.61 2.72 0.00 0.00 6.58 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 87 V 8.64 4.42 1.78 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 -0.24 0.00 0.00 0.77 0.00 0.00 88 T 8.19 5.02 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 89 A 9.09 4.91 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 90 D 8.77 5.00 0.00 2.89 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 91 K 8.47 4.03 0.00 1.88 1.98 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.40 1.40 7.81 92 D 8.39 4.55 0.00 2.83 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.63 4.33 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 0.00 94 V 7.78 4.69 2.24 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 1.03 0.00 0.00 0.97 0.00 0.00 95 A 8.95 5.11 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.54 4.87 0.00 2.56 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 97 V 8.46 3.61 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 0.66 0.00 0.00 0.64 0.00 0.00 98 S 8.32 4.60 0.00 3.90 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 9.17 4.85 1.97 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.68 1.03 0.00 0.00 100 E 8.81 5.17 0.00 1.95 1.80 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 2.21 2.31 0.00 101 D 9.37 4.89 0.00 2.86 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.94 4.80 0.00 3.91 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 0.00 103 V 8.24 4.06 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 0.80 0.00 0.00 0.96 0.00 0.00 104 I 7.78 4.07 1.96 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.82 1.06 0.00 0.00 105 S 8.41 4.64 0.00 3.83 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 0.00 106 L 8.85 4.53 0.00 1.77 1.63 1.00 0.84 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 0.00 107 S 7.91 4.43 0.00 3.91 3.80 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 0.00 108 G 8.49 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 0.00 109 D 8.72 4.43 0.00 2.71 2.82 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 0.00 110 H 8.10 4.99 0.00 3.22 3.43 0.00 5.64 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.11 4.51 0.00 3.20 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 0.00 112 I 8.02 3.96 1.63 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.23 0.99 0.00 0.00 113 I 7.33 3.70 1.78 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.73 0.83 0.00 0.00 114 G 9.38 3.80 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 0.00 115 R 7.41 4.80 0.00 1.60 1.81 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.31 0.00 116 T 7.99 5.01 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 1.23 0.00 0.00 117 L 8.53 4.74 0.00 1.80 1.52 0.38 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.78 4.91 1.97 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 0.68 0.00 0.00 0.70 0.00 0.00 119 V 8.56 5.03 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 0.81 0.00 0.00 1.05 0.00 0.00 120 H 8.80 5.27 0.00 3.32 3.55 0.00 5.66 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.38 4.20 0.00 2.00 2.17 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 2.36 2.34 0.00 122 K 8.42 4.80 0.00 1.80 1.67 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.38 7.81 123 A 8.32 4.37 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 0.00 124 D 9.25 4.65 0.00 2.72 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 0.00 125 D 9.20 4.56 0.00 2.93 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 0.00 126 L 9.92 3.52 0.00 1.85 1.78 0.94 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.68 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 0.00 0.00 0.00 128 K 7.99 4.47 0.00 1.91 1.82 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.53 7.81 129 G 7.83 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 0.00 130 G 8.31 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 0.00 0.00 0.00 131 N 7.27 4.91 0.00 2.82 2.82 0.00 0.00 6.84 7.32 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 0.00 132 E 8.67 4.04 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 2.37 2.37 0.00 133 E 8.15 3.95 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 134 S 8.22 4.11 0.00 4.16 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 0.00 135 T 7.85 4.25 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 1.26 0.00 0.00 136 K 7.69 4.30 0.00 1.79 1.81 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.33 1.62 7.81 137 T 7.84 4.12 4.16 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 1.20 0.00 0.00 138 G 8.04 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 0.00 0.00 0.00 139 N 7.84 4.30 0.00 2.88 2.88 0.00 0.00 6.92 7.42 0.00 0.00 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 A 7.16 4.18 1.23 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 0.00 0.00 141 G 7.34 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 0.00 142 S 8.66 4.41 0.00 3.84 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.38 4.57 0.00 1.66 1.79 0.00 3.20 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 1.53 1.67 0.00 144 L 8.89 4.36 0.00 1.71 1.70 0.97 0.40 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 0.00 145 A 7.74 5.00 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 0.00 146 C 9.12 5.11 0.00 3.02 3.11 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 0.00 147 G 8.49 4.65 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 0.00 148 V 8.22 4.55 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 0.83 0.00 0.00 0.94 0.00 0.00 149 I 8.86 4.11 1.78 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.26 0.37 0.00 0.00 150 G 8.91 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 0.00 0.00 0.00 0.00 151 I 8.27 4.33 1.85 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 1.25 0.53 0.90 0.00 0.00 152 A 8.47 4.79 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 0.00 153 Q 8.47 4.07 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.