NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3847 8.3049 120.3496 54.5463 32.7673 176.1996 2 N 3.5939 8.5339 109.6103 55.0303 38.6561 173.0406 3 R 4.4249 8.0108 125.8874 53.8667 31.4257 176.2275 4 G 3.8936 8.5398 109.5301 46.5424 0.0000 171.0003 5 A 4.4713 7.7227 121.8219 53.7645 19.8469 178.4412 6 L 3.8918 7.6740 118.0058 58.4888 42.3286 178.9497 7 I 3.8276 7.7908 118.9476 64.5002 37.1005 177.9389 8 K 4.6147 8.0410 119.7655 59.1798 31.7273 178.9293 9 L 4.0203 7.4555 117.4395 57.8022 41.4962 179.8490 10 V 3.6958 8.0417 117.7287 66.1935 31.8618 177.6025 11 E 4.2110 8.2911 117.7274 58.9479 30.2914 177.5790 12 S 4.2474 7.7231 115.5905 58.3059 59.1565 173.8321 13 R 4.2764 7.9947 120.4042 56.4512 30.8861 175.6924 14 Y 4.5227 7.8904 113.4610 58.4406 38.2545 176.0100 15 V 3.6101 7.5629 112.8240 61.8180 32.1327 175.7102 16 R 4.6108 8.4238 122.1110 54.7481 32.8199 174.5492 17 T 4.5363 8.4022 118.9797 60.0201 69.8837 173.4259 18 D 5.7475 8.2590 135.0000 54.2756 38.7654 176.6164 19 L 4.2818 7.4643 121.1815 53.1008 42.5139 174.5267 20 P 4.1705 0.0000 0.0000 62.8617 31.5844 175.7386 21 E 3.9051 8.7129 124.9672 55.9947 30.1360 175.5725 22 F 4.9388 7.1682 119.6577 56.4474 41.0563 173.1240 23 R 4.4933 9.0020 112.9994 56.2590 31.0115 174.6582 24 P 4.4805 0.0000 0.0000 66.8044 29.8381 176.6588 25 G 3.5453 10.4351 107.1538 45.1154 0.0000 174.9281 26 D 4.5978 7.6986 114.9791 53.5361 44.3886 176.8606 27 T 4.3544 6.9705 129.1644 60.4013 67.1276 175.1045 28 V 4.0309 8.7995 118.8557 60.2128 32.0924 168.1867 29 R 4.7860 9.3905 128.0180 56.3661 33.0008 174.7034 30 V 3.2532 8.0614 111.6844 62.0200 32.5337 174.4477 31 S 4.1905 7.5055 120.2140 56.8620 62.5261 175.5033 32 Y 5.1427 8.4574 124.1658 57.6629 38.2531 173.4489 33 K 4.6916 6.6052 119.4677 55.5750 30.2743 174.8945 34 V 4.4136 8.6066 124.2636 60.3266 33.1791 175.8087 35 K 4.0851 8.2995 122.7256 58.4899 36.6109 174.0300 36 E 3.5976 9.8401 118.6740 57.1191 28.2091 175.7675 37 G 3.9781 8.3677 105.2109 45.1371 0.0000 173.1592 38 N 4.8675 7.9314 117.8484 50.8163 38.3397 175.5926 39 R 4.0508 8.9364 123.5803 59.3863 30.3597 177.1789 40 T 4.0370 7.5174 105.7481 61.2367 68.8358 173.4236 41 R 4.2908 9.3773 118.1172 56.6140 29.3448 176.3730 42 I 4.7839 7.6087 113.2096 58.1005 36.8751 174.1209 43 Q 4.2549 8.1851 129.8021 57.2639 30.3851 174.7913 44 D 4.9042 8.5249 120.9833 52.3773 44.9441 174.6172 45 F 4.4617 8.8918 125.5469 56.9101 40.8976 173.6372 46 E 4.6533 8.3133 129.2661 54.3823 28.4271 174.2614 47 G 4.2808 7.8696 110.4391 43.7152 0.0000 168.8934 48 I 4.4774 8.3160 120.2186 60.4042 38.4786 176.1097 49 V 4.4784 8.3181 125.6939 61.5137 32.1799 176.4740 50 I 4.0650 8.9101 126.9297 63.1398 38.7127 176.1201 51 R 4.6916 7.6680 116.5569 54.8044 33.1048 174.2250 52 I 4.9161 8.4675 122.4585 59.9381 39.5676 175.4973 53 R 4.4274 9.0444 130.2194 54.7632 30.2890 175.4081 54 R 4.3333 8.3478 124.8648 55.5004 30.9550 176.9468 55 N 4.5992 8.8947 117.3804 54.3960 41.4236 174.7606 56 G 3.7866 8.2921 109.5889 45.2749 0.0000 176.2963 57 F 4.6881 8.4113 122.9853 57.9774 42.1580 175.8053 58 N 3.8124 6.3259 115.9932 52.9936 36.4465 173.6812 59 T 4.4759 7.8615 117.7901 62.7684 69.3415 173.5979 60 T 5.3024 8.5049 117.4857 59.6565 72.5576 172.4458 61 F 6.1476 8.3753 113.5847 57.2271 40.9052 173.1463 62 T 5.0246 8.6146 110.0875 60.1561 72.4505 172.7369 63 V 4.9489 8.7668 116.4621 59.7052 35.1728 174.3947 64 R 5.0918 9.3363 126.2219 54.6211 31.9461 174.4677 65 K 4.4607 9.6734 128.4933 54.6478 35.2631 175.2637 66 V 4.2078 8.3094 127.2540 61.6587 31.3028 174.4371 67 S 4.2259 8.5074 121.9659 57.4571 61.5980 171.7236 68 Y 3.4371 7.8112 127.3810 57.8933 36.4261 170.8648 69 G 3.9736 8.2233 109.5377 46.8859 0.0000 173.2159 70 V 3.8305 7.8025 120.5006 61.9378 32.1997 175.4084 71 G 4.0616 8.4855 114.4430 46.5791 0.0000 172.9357 72 V 4.8088 8.9813 121.6139 61.1727 35.3437 173.1695 73 E 5.3787 8.9509 125.1448 54.6326 32.3145 175.1939 74 R 4.1730 8.7642 120.9887 54.1637 33.4681 174.7550 75 I 4.4134 7.4965 122.9677 59.5178 39.2174 174.8521 76 F 4.9347 7.9797 125.8276 54.9080 41.4653 175.4828 77 P 4.2095 0.0000 0.0000 63.8206 31.4414 177.3770 78 L 4.2318 9.2638 117.6164 55.5452 40.3486 173.0443 79 H 5.0150 7.8029 111.5360 55.4954 33.8246 174.4537 80 S 3.9105 8.3204 117.6064 58.4495 60.9652 170.5432 81 P 4.3585 0.0000 0.0000 62.2545 30.5430 174.5193 82 L 4.9894 8.3630 117.8387 53.8523 44.0474 175.3155 83 I 3.6978 7.9140 114.7498 62.9515 38.0772 176.3974 84 Q 4.4927 7.1777 115.5591 58.8019 32.8840 172.2820 85 K 4.5470 8.3775 115.2926 56.2491 34.0821 175.7190 86 I 3.5871 7.3046 116.4556 61.3907 38.2405 174.7799 87 D 4.4403 8.3213 127.1922 54.5794 40.0674 175.5341 88 I 3.6236 8.2027 122.8175 62.6218 36.6768 177.1650 89 V 4.1680 5.4500 130.8321 61.6611 33.8337 176.2775 90 Q 4.3547 8.7630 128.2200 55.6135 28.1986 175.8007 91 R 4.4137 7.7413 127.2065 56.8844 32.5682 175.4542 92 G 4.1146 8.9763 113.3842 46.8302 0.0000 175.0976 93 R 3.6448 7.8924 116.9786 56.0698 28.7451 175.2424 94 A 3.9696 8.0503 117.9819 51.8424 18.0472 179.3915 95 R 3.9707 8.8256 122.8804 58.9594 30.4159 177.0344 96 R 4.7425 7.4848 112.3246 53.7392 32.5166 175.5548 97 A 4.0807 8.8691 122.4003 54.8101 18.6046 178.1279 98 K 4.4409 7.9846 114.7388 54.6937 33.8816 176.9491 99 L 5.0590 7.5706 123.4779 54.3425 40.0643 175.9449 100 Y 4.1958 8.0846 122.1740 60.7789 38.7953 177.9499 101 F 4.3230 8.6368 114.1449 59.4877 38.1057 176.8848 102 I 3.5558 7.5045 122.7232 64.8419 36.9609 178.7261 103 R 3.9168 7.5874 117.3622 58.6588 31.4400 176.8936 104 N 4.4601 8.2065 112.9167 53.4021 37.9061 175.2020 105 L 4.2322 8.9745 125.3100 55.1713 42.0183 176.3710 106 S 4.7750 7.9982 114.6937 56.2570 67.8261 172.9462 107 D 5.0868 8.8197 125.9177 52.8334 34.6239 178.2652 108 R 4.2654 8.9301 119.3459 57.8565 30.9111 177.6296 109 E 4.0165 8.2481 119.3706 59.5054 29.4494 179.1822 110 I 3.7062 7.8841 118.9861 64.7300 37.0222 178.2696 111 R 3.9501 7.9754 116.7578 59.5883 29.9994 178.8054 112 R 4.0857 8.2857 116.9935 58.8907 30.1881 178.4439 113 K 4.4245 8.2734 115.8354 56.3932 33.7519 176.6598 114 L 4.8744 7.5146 118.1404 53.4354 42.0721 176.0373 115 R 4.1184 7.5862 119.0554 55.5473 31.3877 176.7740 116 A 4.2228 8.3336 122.4373 52.4836 18.7827 177.3393 117 D 4.6854 8.2945 121.7260 52.2327 40.4601 176.2480 118 R 3.8174 8.3941 125.0082 58.4278 30.6608 181.0892 119 K 4.6946 6.9333 119.6121 58.7466 34.1820 178.0500 120 R 4.3849 8.1283 117.5734 58.4190 30.0359 178.9771 121 I 4.3295 8.3138 121.5127 64.1122 36.7326 178.0112 122 D 4.6797 8.1422 119.2242 57.1917 40.7300 178.0092 123 Q 4.4198 7.7582 115.5036 56.5930 28.9613 176.6669 124 D 4.6159 8.3507 121.7383 56.7022 41.7689 178.9464 125 R 3.9408 8.0223 115.8541 58.5462 30.2847 177.5286 126 A 4.3036 7.5439 118.4493 53.1135 19.4364 177.3113 127 A 4.5881 7.6157 118.3464 52.1626 18.6712 178.4296 128 E 3.7781 8.5408 118.6009 60.3383 30.2807 178.4129 129 R 3.3476 7.4561 119.6540 57.7625 27.6696 174.9490 130 A 4.4299 7.6401 119.2287 51.8589 19.8556 176.9655 131 A 4.0201 7.9555 123.0706 54.1009 17.9314 180.7195 132 K 4.5314 8.3707 124.6574 57.2106 31.3269 178.7477 133 E 4.3495 8.6743 117.7397 56.4374 28.8324 176.9120 134 E 4.5161 7.5739 117.7333 55.3085 32.8610 174.4697 135 A 3.6566 8.6255 126.3271 52.9681 15.5852 177.0829 136 Q 4.8218 7.4917 125.9647 57.0162 32.0128 173.3651 137 K 4.2548 7.9242 119.2474 55.5688 31.3151 175.4500 *138 A 4.1219 7.6397 125.8949 52.5302 18.7921 176.7836 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 M 8.30 4.38 0.00 1.98 1.44 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 2 N 8.53 3.59 0.00 2.83 2.72 0.00 0.00 6.49 6.78 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 3 R 8.01 4.42 0.00 1.80 1.79 0.00 3.22 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 4 G 8.54 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 5 A 7.72 4.47 1.32 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 0.00 0.00 6 L 7.67 3.89 0.00 1.67 1.87 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.79 3.83 1.88 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 1.64 0.70 1.02 0.00 0.00 8 K 8.04 4.61 0.00 1.94 1.93 0.00 1.98 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.60 7.81 9 L 7.46 4.02 0.00 1.77 1.75 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.04 3.70 2.26 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 0.83 0.00 0.00 0.96 0.00 0.00 11 E 8.29 4.21 0.00 2.26 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 2.44 2.52 0.00 12 S 7.72 4.25 0.00 3.94 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 13 R 7.99 4.28 0.00 1.66 1.58 0.00 3.18 0.00 0.00 3.11 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.46 0.00 14 Y 7.89 4.52 0.00 2.93 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 15 V 7.56 3.61 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 0.52 0.00 0.00 0.87 0.00 0.00 16 R 8.42 4.61 0.00 1.82 1.63 0.00 3.39 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 17 T 8.40 4.54 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 1.20 0.00 0.00 18 D 8.26 5.75 0.00 2.92 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 19 L 7.46 4.28 0.00 1.65 1.67 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.17 0.00 2.11 2.07 0.00 3.72 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 2.04 2.11 0.00 21 E 8.71 3.91 0.00 1.86 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.08 0.00 22 F 7.17 4.94 0.00 3.06 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 23 R 9.00 4.49 0.00 1.97 1.98 0.00 2.98 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 24 P 0.00 4.48 0.00 2.14 2.18 0.00 3.77 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 25 G 10.44 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.70 4.60 0.00 2.65 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 6.97 4.35 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 1.01 0.00 0.00 28 V 8.80 4.03 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 0.89 0.00 0.00 1.00 0.00 0.00 29 R 9.39 4.79 0.00 1.91 1.90 0.00 3.31 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.34 0.00 30 V 8.06 3.25 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 0.76 0.00 0.00 1.02 0.00 0.00 31 S 7.51 4.19 0.00 3.34 3.26 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 32 Y 8.46 5.14 0.00 3.11 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 33 K 6.61 4.69 0.00 1.77 1.81 0.00 1.76 0.00 0.00 1.59 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.26 1.53 7.81 34 V 8.61 4.41 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.03 0.00 0.00 35 K 8.30 4.09 0.00 2.16 2.04 0.00 1.53 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.21 1.12 7.81 36 E 9.84 3.60 0.00 2.07 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 0.00 2.25 2.29 0.00 37 G 8.37 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 0.00 0.00 0.00 38 N 7.93 4.87 0.00 2.89 2.97 0.00 0.00 6.77 6.95 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 39 R 8.94 4.05 0.00 1.85 2.11 0.00 3.25 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 40 T 7.52 4.04 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 1.24 0.00 0.00 41 R 9.38 4.29 0.00 2.18 2.33 0.00 3.34 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 42 I 7.61 4.78 1.87 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 1.22 1.33 0.94 0.00 0.00 43 Q 8.19 4.25 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 44 D 8.52 4.90 0.00 2.65 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 8.89 4.46 0.00 3.28 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 46 E 8.31 4.65 0.00 1.90 1.68 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 2.11 2.22 0.00 47 G 7.87 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 0.00 0.00 0.00 0.00 48 I 8.32 4.48 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.92 0.96 0.00 0.00 49 V 8.32 4.48 2.12 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 0.90 0.00 0.00 1.28 0.00 0.00 50 I 8.91 4.06 1.73 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 1.23 0.97 0.66 0.00 0.00 51 R 7.67 4.69 0.00 1.77 1.62 0.00 2.75 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.63 0.00 52 I 8.47 4.92 1.90 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 1.46 0.83 0.96 0.00 0.00 53 R 9.04 4.43 0.00 1.90 1.89 0.00 3.12 0.00 0.00 3.19 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 54 R 8.35 4.33 0.00 1.75 1.85 0.00 3.35 0.00 0.00 3.80 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.47 0.00 55 N 8.89 4.60 0.00 2.62 2.89 0.00 0.00 7.19 7.98 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 56 G 8.29 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 57 F 8.41 4.69 0.00 2.95 2.93 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 0.00 0.00 0.00 58 N 6.33 3.81 0.00 2.60 2.41 0.00 0.00 5.84 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 59 T 7.86 4.48 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 1.38 0.00 0.00 60 T 8.50 5.30 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 61 F 8.38 6.15 0.00 3.47 3.27 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 62 T 8.61 5.02 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 1.13 0.00 0.00 63 V 8.77 4.95 2.42 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 0.97 0.00 0.00 1.26 0.00 0.00 64 R 9.34 5.09 0.00 1.85 1.79 0.00 3.25 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 65 K 9.67 4.46 0.00 1.45 1.33 0.00 1.41 0.00 0.00 1.60 0.00 0.00 2.67 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.87 1.19 7.81 66 V 8.31 4.21 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.92 0.00 0.00 67 S 8.51 4.23 0.00 3.87 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 68 Y 7.81 3.44 0.00 3.20 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.22 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 70 V 7.80 3.83 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.95 0.00 0.00 71 G 8.49 4.06 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 0.00 0.00 0.00 72 V 8.98 4.81 2.26 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 1.11 0.00 0.00 1.07 0.00 0.00 73 E 8.95 5.38 0.00 1.94 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 2.19 2.30 0.00 74 R 8.76 4.17 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.53 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.50 0.00 75 I 7.50 4.41 1.61 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.39 0.76 0.00 0.00 76 F 7.98 4.93 0.00 2.13 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 77 P 0.00 4.21 0.00 2.12 2.10 0.00 3.93 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 78 L 9.26 4.23 0.00 2.29 2.12 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 79 H 7.80 5.01 0.00 3.24 3.35 0.00 6.04 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.32 3.91 0.00 4.11 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 81 P 0.00 4.36 0.00 1.19 1.84 0.00 3.72 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.05 0.00 82 L 8.36 4.99 0.00 1.75 1.79 1.11 1.03 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 83 I 7.91 3.70 1.90 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 1.51 0.54 0.97 0.00 0.00 84 Q 7.18 4.49 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.65 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 85 K 8.38 4.55 0.00 1.70 1.76 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.07 1.32 7.81 86 I 7.30 3.59 1.86 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 1.33 0.91 0.92 0.00 0.00 87 D 8.32 4.44 0.00 2.57 2.57 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 0.00 0.00 0.00 88 I 8.20 3.62 1.98 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 1.08 0.50 0.88 0.00 0.00 89 V 5.45 4.17 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 0.91 0.00 0.00 90 Q 8.76 4.35 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.48 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 91 R 7.74 4.41 0.00 1.81 1.79 0.00 3.17 0.00 0.00 3.34 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 92 G 8.98 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 93 R 7.89 3.64 0.00 1.93 1.98 0.00 3.47 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 94 A 8.05 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.83 3.97 0.00 1.82 2.06 0.00 3.33 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 96 R 7.48 4.74 0.00 1.89 1.90 0.00 3.07 0.00 0.00 3.51 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 97 A 8.87 4.08 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 98 K 7.98 4.44 0.00 1.84 1.88 0.00 1.59 0.00 0.00 1.82 0.00 0.00 3.20 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.30 7.81 99 L 7.57 5.06 0.00 1.49 1.91 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 8.08 4.20 0.00 3.09 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 0.00 101 F 8.64 4.32 0.00 3.17 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 0.00 102 I 7.50 3.56 1.67 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.63 0.78 0.00 0.00 103 R 7.59 3.92 0.00 1.84 2.04 0.00 3.24 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.01 0.00 104 N 8.21 4.46 0.00 2.74 2.62 0.00 0.00 7.01 9.16 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 0.00 105 L 8.97 4.23 0.00 1.84 1.80 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.00 4.78 0.00 3.91 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 0.00 107 D 8.82 5.09 0.00 2.91 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 0.00 108 R 8.93 4.27 0.00 2.06 2.22 0.00 3.00 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 109 E 8.25 4.02 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 110 I 7.88 3.71 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.66 0.89 0.00 0.00 111 R 7.98 3.95 0.00 1.93 2.01 0.00 3.21 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 112 R 8.29 4.09 0.00 1.90 2.03 0.00 3.16 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 113 K 8.27 4.42 0.00 1.99 2.07 0.00 1.59 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.58 1.59 7.81 114 L 7.51 4.87 0.00 1.70 1.59 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 115 R 7.59 4.12 0.00 1.85 1.87 0.00 3.31 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.59 0.00 116 A 8.33 4.22 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 0.00 117 D 8.29 4.69 0.00 2.62 2.62 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 0.00 118 R 8.39 3.82 0.00 1.96 2.07 0.00 3.41 0.00 0.00 3.27 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 119 K 6.93 4.69 0.00 1.75 2.07 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.52 7.81 120 R 8.13 4.38 0.00 2.02 1.97 0.00 3.22 0.00 0.00 3.28 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 121 I 8.31 4.33 2.16 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 1.81 1.08 0.91 0.00 0.00 122 D 8.14 4.68 0.00 2.68 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 0.00 123 Q 7.76 4.42 0.00 2.30 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.62 0.00 0.00 0.00 0.00 0.00 2.48 2.39 0.00 124 D 8.35 4.62 0.00 2.80 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 0.00 125 R 8.02 3.94 0.00 1.80 2.00 0.00 3.36 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.58 0.00 126 A 7.54 4.30 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 0.00 127 A 7.62 4.59 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 0.00 128 E 8.54 3.78 0.00 2.07 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 2.29 2.44 0.00 129 R 7.46 3.35 0.00 1.86 2.26 0.00 3.36 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 130 A 7.64 4.43 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 0.00 131 A 7.96 4.02 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 0.00 132 K 8.37 4.53 0.00 1.76 1.85 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.56 7.81 133 E 8.67 4.35 0.00 1.91 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 0.00 2.34 2.39 0.00 134 E 7.57 4.52 0.00 1.84 1.76 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 2.17 2.32 0.00 135 A 8.63 3.66 1.36 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 0.00 0.00 136 Q 7.49 4.82 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.38 0.00 0.00 0.00 0.00 0.00 2.08 2.20 0.00 137 K 7.92 4.25 0.00 1.73 1.70 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.47 7.81 *138 A 7.64 4.12 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 * Residues marked with a * may have inaccurate shift predictions.