NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 4.3126 8.0501 120.4501 62.2897 33.5375 172.8524 7 A 4.3429 7.5460 120.7680 49.9261 23.2505 169.9954 8 V 4.8119 8.6252 119.3800 59.5402 34.4400 174.2011 9 A 4.1153 8.7226 126.7689 52.1480 18.6333 178.0915 10 D 4.6327 9.1753 122.1768 56.5813 41.6367 177.7277 11 E 4.2108 8.1257 116.0569 58.1649 31.0041 178.4919 12 S 4.3800 8.7807 115.2990 61.4970 62.4573 176.0462 13 L 4.3218 8.0050 122.0154 59.1043 40.6006 178.9790 14 T 4.0994 7.7269 116.3633 66.4440 68.3010 176.2731 15 A 4.4877 8.1372 122.9552 54.8470 18.4228 179.5086 16 F 4.4769 8.0979 118.6841 61.6413 39.6433 177.1766 17 N 4.2713 8.9180 115.9516 55.3696 38.2310 177.0338 18 D 4.3971 7.5812 119.6216 56.9406 41.3536 178.5181 19 L 4.0407 7.9560 120.5452 57.9961 41.7858 177.9372 20 K 4.0048 7.6073 119.7439 58.8275 32.2093 178.2868 21 L 4.2326 7.7827 120.1325 56.3951 42.0058 178.1475 22 G 3.8601 7.8393 105.2543 44.1381 0.0000 173.2691 23 K 4.5116 7.9330 116.8947 55.8161 29.7689 176.6927 24 K 3.6655 7.8564 118.7860 59.0183 32.2958 175.8512 25 Y 4.7209 6.7579 115.0286 55.9772 40.3525 175.9037 26 K 4.1808 8.9551 123.9147 58.9796 33.1901 176.0882 27 F 5.2381 6.9904 112.8041 57.2241 40.8158 172.6297 28 I 4.4567 8.2120 118.1158 59.5756 41.8808 174.9024 29 L 5.0596 8.9647 125.0194 53.3197 44.2506 176.4055 30 F 5.0556 9.7143 124.7245 56.2106 42.0214 175.0082 31 G 4.9759 8.1046 110.7380 45.7798 0.0000 172.3733 32 L 4.8993 8.2348 122.5864 54.1316 42.3892 177.1920 33 N 4.6857 8.7561 120.3912 52.0073 38.2897 175.4364 34 D 4.4440 8.6680 117.3059 55.7565 39.1992 177.1314 35 A 4.2681 8.0231 120.5083 51.2419 20.1229 176.1821 36 K 3.7261 8.1212 116.9364 56.5677 29.9744 175.0217 37 T 4.5915 8.8378 110.0860 62.7103 72.8102 172.5701 38 E 5.0216 8.1768 118.7353 56.1775 34.8543 174.1901 39 I 4.3529 8.5155 122.6430 59.9012 38.6443 174.4457 40 V 4.7610 8.0918 126.1910 60.3918 34.0300 175.1481 41 V 3.6715 7.8739 126.8546 62.1136 30.7552 176.2223 42 K 4.2137 8.8264 126.3135 59.1107 32.5449 177.3350 43 E 4.8306 7.5988 116.4420 55.9917 33.6279 174.9288 44 T 4.5675 8.3305 111.2040 60.6858 72.2098 172.8850 45 S 4.4785 7.5391 115.1860 57.1051 66.3994 174.5577 46 T 4.7265 8.2265 114.1754 61.2686 69.0964 173.2778 47 D 4.6620 7.6592 122.1867 53.6013 41.8106 174.0419 48 P 4.3801 0.0000 0.0000 65.6169 31.7540 176.3148 49 S 4.0290 7.4385 110.5007 58.6313 63.0553 173.8632 50 Y 4.3162 8.6342 126.9968 59.8916 39.1354 176.7051 51 D 4.5816 8.2766 115.1272 54.9485 40.5148 176.2294 52 A 4.5892 7.6550 122.5205 52.1926 21.3708 179.1264 53 F 3.7989 8.2213 119.0143 61.0155 39.3860 177.0664 54 L 3.5148 7.2164 116.1574 55.5612 41.3377 177.1440 55 E 4.2552 7.1120 117.4908 56.5878 30.0674 176.7922 56 K 4.2965 7.3266 116.9661 55.7591 32.5905 176.0005 57 L 3.6470 7.2051 120.1848 52.8196 41.6176 174.6793 58 P 4.3047 0.0000 0.0000 62.5838 30.7631 176.4563 59 E 4.3340 9.0866 125.2665 58.9130 29.6408 177.8972 60 N 5.4077 7.6814 113.9358 51.2823 39.2801 173.2883 61 D 4.4364 7.8395 115.0111 53.8286 44.7366 173.3719 62 C 4.7049 7.8486 120.1648 57.3922 30.7941 172.8911 63 L 4.1182 6.6367 119.3478 56.0679 43.5323 172.2636 64 Y 5.2842 7.8183 117.4953 56.5684 40.6385 174.9164 65 A 5.8650 8.6080 123.9943 49.6886 23.2851 175.1501 66 I 5.8115 8.8979 122.1235 59.0895 39.6205 174.0083 67 Y 4.4720 8.9703 128.4090 56.1832 40.6118 174.3825 68 D 5.0915 7.4884 125.3842 52.2275 39.2614 175.7791 69 F 4.1644 8.6612 122.4875 59.2585 41.0372 174.4809 70 E 5.5689 9.0295 124.2941 55.1505 32.6351 173.9717 71 Y 5.2045 9.6519 122.7551 55.4717 42.1540 173.8760 72 E 5.0529 8.9715 117.9651 54.7961 31.9918 175.4223 73 I 4.6984 8.0914 114.3464 59.6678 40.6871 174.6142 74 N 5.3189 8.2048 117.1737 53.2497 41.0814 176.3535 75 G 3.9232 8.4013 106.1832 48.2505 0.0000 173.4459 76 N 4.8077 7.1759 113.7997 57.4379 39.0670 177.1331 77 E 3.5529 6.5147 116.0316 57.8863 27.0608 177.3982 78 G 4.2469 7.5281 111.3100 45.2310 0.0000 168.9960 79 K 4.8462 7.9464 120.3228 54.8211 33.8811 175.8513 80 R 4.8705 8.6768 125.1746 54.2615 33.7543 174.7270 81 S 5.5669 8.6646 115.4441 56.9568 66.1654 173.6223 82 K 4.7191 9.4837 121.5716 55.0272 36.1496 176.0711 83 I 4.3930 8.7810 126.7439 61.4782 38.3329 175.1397 84 V 4.7472 9.5202 127.6765 61.2752 34.4502 174.4009 85 F 5.4558 8.9228 129.6647 56.4791 39.8991 174.6055 86 F 4.8354 9.5921 124.5102 57.6401 40.5869 174.7883 87 T 5.0072 8.9262 117.2367 61.4426 70.1273 172.1737 88 W 4.7654 9.1442 135.0000 57.0116 32.0626 175.3857 89 S 4.6641 7.1648 117.7907 57.3964 63.9543 173.1884 90 P 3.8334 0.0000 0.0000 62.6025 31.9952 177.0003 91 D 4.3727 8.2714 116.9162 55.1445 41.0293 177.3238 92 T 4.2758 7.4517 109.8542 62.1304 70.5317 174.7436 93 A 4.2573 6.9786 124.7754 51.5008 18.9521 175.3998 94 P 4.2632 0.0000 0.0000 62.7506 31.7886 177.9204 95 V 3.7038 8.5887 122.5946 64.8039 31.2820 178.3427 96 R 4.1546 7.9680 117.9437 57.8026 29.0557 177.5255 97 S 4.6862 8.3787 112.5292 58.6356 63.0748 175.6485 98 K 4.5004 7.5726 121.4623 58.5725 32.2506 178.2316 99 M 4.2531 7.9687 116.3528 57.4382 31.1448 178.2575 100 V 3.8642 7.7858 119.1067 65.2734 31.8815 176.5498 101 Y 4.5970 7.9467 116.2035 58.2483 37.7433 177.3874 102 A 4.2380 7.5936 121.0246 54.9535 19.3048 179.5441 103 S 4.3034 7.6976 112.1528 61.8885 62.7827 177.6633 104 S 4.5089 7.3641 112.0559 58.8689 62.5702 176.3452 105 K 3.8076 8.4459 125.6264 59.5723 32.1863 178.5602 106 D 4.2694 8.0569 118.2808 55.8546 38.7561 177.9754 107 A 3.9048 7.8752 122.4243 54.8165 18.3988 179.0285 108 L 3.6586 7.7069 118.5431 58.2236 42.1515 178.4558 109 R 2.9435 7.3881 116.1364 59.8324 29.9230 177.7480 110 R 3.8941 7.7326 116.8522 59.1740 30.2384 178.7956 111 A 4.1103 7.1912 119.7322 53.1103 18.3891 177.3354 112 L 4.2551 6.9762 117.4679 53.0999 42.7121 175.5917 113 N 4.8529 9.7218 121.5950 51.7136 40.0489 173.5450 114 G 3.5201 9.0963 113.4421 45.0489 0.0000 173.7563 115 V 3.7910 7.6916 121.6844 63.4321 31.8936 175.3589 116 S 4.4493 8.7115 124.2735 61.1618 63.0568 174.3613 117 T 4.7233 7.8202 113.1039 60.2031 70.9723 171.4776 118 D 5.4782 8.6181 125.0508 52.5298 44.2508 175.7641 119 V 4.3056 8.5722 121.6969 61.0855 34.6476 174.0552 120 Q 4.5219 9.0114 130.0663 55.8511 30.0630 175.2308 121 G 4.3358 10.0085 115.6188 44.8700 0.0000 173.6861 122 T 4.7627 9.4054 124.7426 61.2435 70.5225 173.8592 123 D 4.9288 7.4957 126.0307 54.0138 43.4249 177.4097 124 F 4.5497 9.1436 125.3117 60.3428 39.1639 176.4671 125 S 4.5456 8.1798 114.6562 60.0530 63.0415 174.5781 126 E 4.6480 8.4335 117.3655 56.2211 29.3122 176.9582 127 V 4.7093 7.7474 108.5075 60.5370 34.2027 176.0024 128 S 4.7093 8.0772 116.3493 58.5881 64.9799 172.9453 129 Y 3.8350 8.9769 121.0484 61.1776 38.2130 177.4246 130 D 4.2365 8.4143 119.7113 57.6331 40.8010 179.5508 131 S 4.1350 7.8659 115.1164 61.4411 62.9220 176.5141 132 V 3.5536 7.7104 119.9101 65.3318 31.5481 177.6343 133 L 2.9965 8.0319 120.8178 57.5271 41.9515 178.3931 134 E 3.8109 7.6551 118.7958 59.1496 29.3734 178.1894 135 R 4.2820 7.1549 113.6055 56.6383 30.4231 177.8540 136 V 3.8539 7.1689 118.8453 62.7771 32.0739 175.3838 137 S 4.4527 7.3633 112.1727 59.6098 65.5738 174.6527 138 R 3.9484 7.6297 130.0932 55.9311 28.6506 177.2673 *139 G 3.7113 8.3580 112.5078 46.0258 0.0000 170.7286 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 6 V 8.05 4.31 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 0.86 0.00 0.00 0.93 0.00 0.00 7 A 7.55 4.34 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 8 V 8.63 4.81 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 0.75 0.00 0.00 0.91 0.00 0.00 9 A 8.72 4.12 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 10 D 9.18 4.63 0.00 2.79 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 11 E 8.13 4.21 0.00 2.25 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 0.00 2.37 2.34 0.00 12 S 8.78 4.38 0.00 4.17 4.09 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 0.00 0.00 0.00 13 L 8.00 4.32 0.00 2.10 1.97 1.04 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 14 T 7.73 4.10 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 15 A 8.14 4.49 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.10 4.48 0.00 3.46 3.45 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 17 N 8.92 4.27 0.00 2.86 2.85 0.00 0.00 7.03 7.93 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 18 D 7.58 4.40 0.00 3.08 2.46 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 19 L 7.96 4.04 0.00 1.98 1.95 1.08 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.61 4.00 0.00 1.23 1.37 0.00 1.77 0.00 0.00 1.14 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.35 7.81 21 L 7.78 4.23 0.00 1.65 1.66 0.88 0.84 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 22 G 7.84 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 23 K 7.93 4.51 0.00 1.81 1.82 0.00 1.82 0.00 0.00 2.50 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.28 7.81 24 K 7.86 3.67 0.00 1.38 0.74 0.00 1.48 0.00 0.00 1.00 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.79 1.13 7.81 25 Y 6.76 4.72 0.00 2.91 2.74 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 26 K 8.96 4.18 0.00 1.77 1.78 0.00 1.33 0.00 0.00 1.20 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.61 7.81 27 F 6.99 5.24 0.00 2.91 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.21 4.46 1.60 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.96 -0.05 0.00 0.00 29 L 8.96 5.06 0.00 1.48 1.60 1.12 0.43 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 30 F 9.71 5.06 0.00 3.30 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 31 G 8.10 4.98 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 32 L 8.23 4.90 0.00 1.13 1.51 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.76 4.69 0.00 2.96 3.00 0.00 0.00 5.99 8.07 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 34 D 8.67 4.44 0.00 2.81 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 35 A 8.02 4.27 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 36 K 8.12 3.73 0.00 1.81 1.80 0.00 1.73 0.00 0.00 1.62 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.32 7.81 37 T 8.84 4.59 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 38 E 8.18 5.02 0.00 1.93 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 2.31 2.35 0.00 39 I 8.52 4.35 1.93 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 1.19 0.95 1.13 0.00 0.00 40 V 8.09 4.76 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 1.14 0.00 0.00 0.98 0.00 0.00 41 V 7.87 3.67 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 0.79 0.00 0.00 0.70 0.00 0.00 42 K 8.83 4.21 0.00 1.83 1.92 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.74 1.73 7.81 43 E 7.60 4.83 0.00 1.78 1.72 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 2.17 2.13 0.00 44 T 8.33 4.57 3.31 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 0.00 0.00 0.00 0.58 0.00 0.00 45 S 7.54 4.48 0.00 3.63 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 46 T 8.23 4.73 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 47 D 7.66 4.66 0.00 2.68 2.76 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 48 P 0.00 4.38 0.00 2.12 2.13 0.00 3.81 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 49 S 7.44 4.03 0.00 3.90 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 8.63 4.32 0.00 2.89 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 51 D 8.28 4.58 0.00 2.72 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.65 4.59 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 53 F 8.22 3.80 0.00 2.39 2.34 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 54 L 7.22 3.51 0.00 1.54 1.62 0.87 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 55 E 7.11 4.26 0.00 2.06 1.91 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 2.29 2.21 0.00 56 K 7.33 4.30 0.00 1.69 1.78 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.67 7.81 57 L 7.21 3.65 0.00 1.24 1.01 -0.15 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.30 0.00 2.39 2.05 0.00 3.50 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 59 E 9.09 4.33 0.00 2.08 2.11 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 2.48 2.79 0.00 60 N 7.68 5.41 0.00 2.72 2.78 0.00 0.00 7.02 8.06 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 61 D 7.84 4.44 0.00 2.61 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 62 C 7.85 4.70 0.00 1.35 2.55 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 63 L 6.64 4.12 0.00 1.95 1.60 0.85 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 7.82 5.28 0.00 3.20 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 65 A 8.61 5.86 1.46 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 0.00 0.00 66 I 8.90 5.81 2.44 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 1.63 2.35 1.36 0.00 0.00 67 Y 8.97 4.47 0.00 2.99 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 68 D 7.49 5.09 0.00 2.75 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 F 8.66 4.16 0.00 3.48 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 70 E 9.03 5.57 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 71 Y 9.65 5.20 0.00 3.17 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 72 E 8.97 5.05 0.00 1.92 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 2.25 2.35 0.00 73 I 8.09 4.70 1.81 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 1.19 0.62 0.67 0.00 0.00 74 N 8.20 5.32 0.00 2.69 2.86 0.00 0.00 7.21 7.65 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 75 G 8.40 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 76 N 7.18 4.81 0.00 2.62 2.72 0.00 0.00 7.00 7.66 0.00 0.00 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 6.51 3.55 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 2.41 0.00 78 G 7.53 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 0.00 0.00 0.00 0.00 79 K 7.95 4.85 0.00 1.74 1.69 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.57 1.68 7.81 80 R 8.68 4.87 0.00 1.08 1.44 0.00 3.27 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.52 0.00 81 S 8.66 5.57 0.00 4.22 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 82 K 9.48 4.72 0.00 1.71 1.77 0.00 1.97 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.55 7.81 83 I 8.78 4.39 2.09 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.24 1.27 0.00 0.00 84 V 9.52 4.75 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 0.50 0.00 0.00 1.12 0.00 0.00 85 F 8.92 5.46 0.00 3.16 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 86 F 9.59 4.84 0.00 3.24 3.10 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 87 T 8.93 5.01 4.40 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 0.00 0.00 0.00 1.43 0.00 0.00 88 W 9.14 4.77 0.00 3.18 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.16 4.66 0.00 3.61 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 3.83 0.00 1.86 1.58 0.00 3.05 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.44 0.00 91 D 8.27 4.37 0.00 2.60 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 92 T 7.45 4.28 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 93 A 6.98 4.26 1.18 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 94 P 0.00 4.26 0.00 2.19 2.02 0.00 3.59 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 95 V 8.59 3.70 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 0.82 0.00 0.00 0.93 0.00 0.00 96 R 7.97 4.15 0.00 1.82 2.04 0.00 3.24 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 97 S 8.38 4.69 0.00 4.10 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 98 K 7.57 4.50 0.00 2.00 1.88 0.00 1.58 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.50 7.81 99 M 7.97 4.25 0.00 2.26 2.34 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.91 0.00 100 V 7.79 3.86 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.95 0.00 0.00 101 Y 7.95 4.60 0.00 3.36 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 0.00 102 A 7.59 4.24 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 103 S 7.70 4.30 0.00 3.95 3.93 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 0.00 104 S 7.36 4.51 0.00 3.96 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 0.00 105 K 8.45 3.81 0.00 2.14 2.05 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.77 7.81 106 D 8.06 4.27 0.00 2.90 2.83 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 0.00 107 A 7.88 3.90 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 0.00 108 L 7.71 3.66 0.00 1.54 1.45 0.64 0.46 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 0.00 109 R 7.39 2.94 0.00 1.39 1.61 0.00 2.21 0.00 0.00 2.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.44 0.00 110 R 7.73 3.89 0.00 1.73 1.89 0.00 3.32 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 111 A 7.19 4.11 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 112 L 6.98 4.26 0.00 1.13 0.27 0.55 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 113 N 9.72 4.85 0.00 2.75 2.80 0.00 0.00 7.22 7.65 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 0.00 114 G 9.10 3.52 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 0.00 115 V 7.69 3.79 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 0.94 0.00 0.00 0.89 0.00 0.00 116 S 8.71 4.45 0.00 3.87 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 0.00 117 T 7.82 4.72 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 118 D 8.62 5.48 0.00 2.58 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.57 4.31 1.55 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 1.02 0.00 0.00 0.71 0.00 0.00 120 Q 9.01 4.52 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 121 G 10.01 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 0.00 122 T 9.41 4.76 4.36 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 1.14 0.00 0.00 123 D 7.50 4.93 0.00 2.79 2.76 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 0.00 124 F 9.14 4.55 0.00 3.25 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 0.00 125 S 8.18 4.55 0.00 4.09 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 0.00 126 E 8.43 4.65 0.00 2.14 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 2.54 2.39 0.00 127 V 7.75 4.71 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 1.25 0.00 0.00 1.04 0.00 0.00 128 S 8.08 4.71 0.00 4.22 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 0.00 129 Y 8.98 3.83 0.00 2.98 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 0.00 130 D 8.41 4.24 0.00 2.84 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 S 7.87 4.13 0.00 4.16 3.94 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 0.00 132 V 7.71 3.55 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 0.61 0.00 0.00 1.37 0.00 0.00 133 L 8.03 3.00 0.00 0.85 1.21 0.55 0.91 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 0.00 134 E 7.66 3.81 0.00 2.00 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 2.21 2.30 0.00 135 R 7.15 4.28 0.00 1.69 1.83 0.00 3.16 0.00 0.00 3.42 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 136 V 7.17 3.85 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.43 0.00 0.00 137 S 7.36 4.45 0.00 3.89 3.82 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 0.00 138 R 7.63 3.95 0.00 1.89 1.97 0.00 3.03 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.83 0.00 *139 G 8.36 3.71 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.