NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3533 0.0000 0.0000 62.4228 32.6518 176.3914 2 Q 4.1237 8.5505 118.7339 54.2496 28.9687 175.2294 3 I 4.6480 7.9611 119.7878 57.3722 39.6134 173.7177 4 T 4.4523 8.4959 115.6785 60.4912 69.8594 174.0862 5 L 4.7065 7.8078 118.5078 54.3850 42.2750 178.1796 6 W 4.2900 8.4170 122.6699 58.9958 29.4290 177.0350 7 Q 4.8008 7.7788 115.4899 52.3174 31.0883 180.6283 8 R 4.0087 8.6593 119.5095 56.3028 30.6554 176.3328 9 P 4.6503 0.0000 0.0000 62.5143 29.8400 173.5497 10 L 4.9750 7.9255 126.2837 54.4219 43.4579 176.0928 11 V 4.5857 8.6693 116.2450 59.6814 35.4613 174.7636 12 T 4.8421 8.3636 119.6278 63.0041 69.9067 173.8356 13 I 4.8057 8.9675 119.8888 58.8974 41.2657 174.2578 14 K 4.8447 9.4002 126.9525 54.8734 34.2221 174.7368 15 I 4.5477 8.5481 128.4585 59.2402 41.0719 175.4233 16 G 3.8821 9.7310 119.7281 46.7116 0.0000 174.3667 17 G 3.9965 8.4049 107.6260 45.2531 0.0000 174.3494 18 Q 4.3186 7.6973 119.6415 54.9753 29.7423 174.4253 19 L 5.0258 8.2898 122.3465 53.7462 43.2035 176.0204 20 R 4.7726 9.0002 121.4777 54.8806 35.2662 173.6000 21 E 5.2575 8.5938 118.7281 55.1973 32.1746 175.6039 22 A 4.7760 8.4087 122.0766 50.7664 23.4513 175.1792 23 L 4.6138 8.9369 123.8869 54.4115 43.7341 175.9320 24 L 4.4972 8.6642 127.0758 54.5040 41.7298 176.3194 25 N 4.9230 8.8752 124.8261 51.8043 40.2226 175.1437 26 T 4.0103 8.7249 117.1997 63.6330 69.4023 175.4746 27 G 3.9686 7.7568 109.8399 45.2047 0.0000 172.8931 28 A 4.6947 7.5724 120.7955 50.0307 21.2241 177.8497 29 D 4.4127 8.8991 121.4620 56.3205 42.6573 175.8314 30 D 5.1546 7.9197 116.2181 51.8475 45.3551 174.9266 31 T 5.0113 8.2683 115.5955 62.2131 70.6867 174.2435 32 V 4.8642 8.7511 126.3091 61.0658 34.6929 174.2213 33 L 5.2094 9.3061 129.8502 54.0859 45.0624 177.4592 34 E 4.4420 9.6034 117.1458 56.9226 31.0389 177.9300 35 D 4.8045 8.0295 119.3274 53.7871 39.9411 176.5016 36 I 4.5489 7.6067 118.9054 59.6542 38.5042 178.1444 37 N 4.8736 8.3012 114.1109 52.1462 40.6198 173.4150 38 L 4.6085 8.0212 123.5554 51.0591 44.2826 174.6395 39 P 4.5360 0.0000 0.0000 62.6583 32.7089 176.0592 40 G 3.9370 8.7605 108.7130 45.0326 0.0000 173.8637 41 K 4.2855 8.2627 119.5376 54.3921 32.2930 172.2572 42 W 5.2776 7.6469 117.6459 56.1233 31.1015 174.5796 43 K 4.5376 8.6990 124.9564 53.0238 33.5405 174.9288 44 P 5.0243 0.0000 0.0000 62.4106 32.1850 175.6340 45 K 4.6573 8.6302 122.6447 55.7378 36.2404 174.0651 46 M 5.2862 8.6406 124.0489 53.4695 35.1315 174.8415 47 I 4.6335 8.4007 115.9472 59.2070 41.6534 174.3043 48 G 4.3817 8.1256 110.3875 44.5512 0.0000 172.4897 49 G 3.8617 8.3575 108.6107 45.6642 0.0000 174.9958 50 I 3.8733 8.5202 126.9434 65.6940 36.1018 175.6408 51 G 4.0548 9.2584 112.7142 44.9019 0.0000 172.7713 52 G 3.9863 8.5776 107.8830 45.0705 0.0000 174.0430 *53 F 5.2019 8.5473 124.1679 55.2611 40.8971 173.1500 54 I 4.7479 8.3332 125.4754 58.7824 39.2090 174.7178 55 K 4.5661 8.6092 129.2064 54.1205 32.6581 175.3201 56 V 4.6098 8.7593 117.6151 58.6646 36.5352 174.4265 57 R 4.4339 8.4972 120.7106 54.8694 31.8938 175.7707 58 Q 4.6085 9.2061 126.6617 55.2616 30.3517 173.6537 59 Y 5.0304 8.5262 125.2801 56.8192 39.9167 175.2075 60 D 4.9716 9.0857 125.6341 53.3235 43.1161 176.6755 61 Q 3.3058 8.1832 116.6623 56.1693 25.5034 175.1900 62 I 4.4937 7.9391 121.1700 59.7181 39.7212 176.9103 63 L 4.6724 8.6954 132.2348 55.6393 42.7610 176.5445 64 I 4.8496 9.0222 125.8658 58.5843 40.3250 170.7807 65 E 5.0982 9.2334 127.6868 55.0073 32.3734 175.2168 66 I 4.8710 8.5883 126.8525 59.6600 39.5186 171.8757 67 C 4.2756 9.3209 122.3687 59.8825 26.3433 174.2315 68 G 4.1529 8.4475 106.2951 46.5648 0.0000 174.6588 69 K 4.5751 8.2394 121.6621 52.4999 33.5410 179.5571 70 K 5.0307 8.3805 122.0713 55.0032 33.6595 175.8438 71 A 4.7637 8.7231 123.6585 50.8240 23.0841 174.9290 72 I 4.9384 9.7447 119.1915 58.6720 41.5456 176.3421 73 G 3.8736 7.7635 113.3005 45.9874 0.0000 170.6281 74 T 4.6213 8.1225 117.4693 63.5201 69.1249 174.4445 75 V 4.4455 8.5329 126.0675 61.0551 34.4161 174.1049 76 L 5.0113 9.3931 128.3704 53.3581 44.1133 175.6517 77 V 4.7533 8.3040 123.0650 61.8570 33.6826 174.7544 78 G 4.3182 8.1872 114.4652 44.9146 0.0000 171.1068 79 P 4.8875 0.0000 0.0000 62.2449 29.4333 175.6171 80 T 4.4289 7.2532 113.8860 60.4888 69.1517 172.4584 81 P 4.4262 0.0000 0.0000 65.2919 31.6408 177.0271 82 V 4.5542 7.2290 108.0978 59.1568 35.8378 174.5624 83 N 4.7699 8.5513 119.8371 53.7665 40.0047 174.2035 84 I 4.9531 8.6586 122.6339 59.8855 41.8328 174.2975 85 I 4.4006 9.2243 129.2882 60.0648 38.3623 176.3668 86 G 4.6484 8.3605 117.0291 43.4243 0.0000 173.7760 87 R 4.0267 8.5471 117.5693 58.7724 30.1783 179.3386 88 N 4.4105 7.9619 114.6281 55.3846 37.6463 176.8192 89 M 4.2562 7.9657 118.0395 57.3191 32.7249 178.1935 90 L 4.0357 8.0062 119.4647 57.8683 41.7639 179.4996 91 T 3.8872 8.0917 109.8576 65.0733 68.2967 176.5304 92 Q 4.0330 7.9911 119.2238 58.3489 29.0089 176.6695 93 L 4.3188 7.6537 116.0293 54.0353 41.5425 176.7208 94 G 3.9445 7.7326 106.3964 46.5053 0.0000 173.5985 95 C 4.3384 8.1648 120.2284 58.5570 32.1501 172.7634 96 T 4.7101 8.2556 116.1550 59.6496 71.2250 173.0383 97 L 4.5120 8.3775 122.7329 53.6779 42.7865 175.8942 98 N 5.1438 8.6833 121.1288 51.4041 40.9331 174.6483 99 F 4.4949 8.3997 116.6559 57.3355 37.6653 173.9599 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 P 0.00 4.35 0.00 2.21 2.13 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.98 0.00 2 Q 8.55 4.12 0.00 2.18 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.67 0.00 0.00 0.00 0.00 0.00 2.26 1.99 0.00 3 I 7.96 4.65 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 1.47 1.24 0.91 0.00 0.00 4 T 8.50 4.45 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 5 L 7.81 4.71 0.00 1.32 1.49 0.81 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 6 W 8.42 4.29 0.00 3.30 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 7 Q 7.78 4.80 0.00 2.02 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.85 0.00 0.00 0.00 0.00 0.00 2.16 1.90 0.00 8 R 8.66 4.01 0.00 1.80 1.93 0.00 3.17 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 9 P 0.00 4.65 0.00 2.11 2.20 0.00 3.67 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 10 L 7.93 4.98 0.00 1.55 1.64 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.67 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 0.82 0.00 0.00 0.98 0.00 0.00 12 T 8.36 4.84 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 13 I 8.97 4.81 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 1.22 0.70 0.91 0.00 0.00 14 K 9.40 4.84 0.00 1.78 1.70 0.00 1.56 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.34 7.81 15 I 8.55 4.55 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 1.10 1.43 0.87 0.00 0.00 16 G 9.73 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 0.00 0.00 0.00 17 G 8.40 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.70 4.32 0.00 2.33 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 19 L 8.29 5.03 0.00 1.51 1.58 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 20 R 9.00 4.77 0.00 1.64 1.75 0.00 3.34 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 21 E 8.59 5.26 0.00 1.82 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 22 A 8.41 4.78 1.17 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 0.00 0.00 0.00 0.00 0.00 23 L 8.94 4.61 0.00 1.84 1.53 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.66 4.50 0.00 1.56 1.62 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.88 4.92 0.00 2.73 2.66 0.00 0.00 6.59 7.02 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 26 T 8.72 4.01 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 1.19 0.00 0.00 27 G 7.76 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 28 A 7.57 4.69 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 29 D 8.90 4.41 0.00 2.62 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 30 D 7.92 5.15 0.00 2.56 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 31 T 8.27 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 1.23 0.00 0.00 32 V 8.75 4.86 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 1.02 0.00 0.00 0.93 0.00 0.00 33 L 9.31 5.21 0.00 1.57 1.47 0.91 0.64 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 34 E 9.60 4.44 0.00 1.97 1.83 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 2.17 2.05 0.00 35 D 8.03 4.80 0.00 2.73 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 36 I 7.61 4.55 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 1.27 0.81 0.91 0.00 0.00 37 N 8.30 4.87 0.00 2.72 2.57 0.00 0.00 6.87 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 38 L 8.02 4.61 0.00 0.27 0.91 0.41 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.54 0.00 2.21 2.06 0.00 3.65 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 40 G 8.76 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 0.00 0.00 0.00 41 K 8.26 4.29 0.00 1.79 1.61 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.00 7.81 42 W 7.65 5.28 0.00 2.88 1.74 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 43 K 8.70 4.54 0.00 1.48 1.70 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.27 7.81 44 P 0.00 5.02 0.00 1.99 2.17 0.00 3.63 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 45 K 8.63 4.66 0.00 1.78 1.62 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.43 7.81 46 M 8.64 5.29 0.00 1.90 1.93 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 47 I 8.40 4.63 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 1.16 0.87 0.96 0.00 0.00 48 G 8.13 4.38 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 0.00 49 G 8.36 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 50 I 8.52 3.87 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 1.34 0.56 0.90 0.00 0.00 51 G 9.26 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 52 G 8.58 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *53 F 8.55 5.20 0.00 2.28 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 0.00 0.00 0.00 54 I 8.33 4.75 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 1.09 0.68 0.91 0.00 0.00 55 K 8.61 4.57 0.00 1.53 1.63 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.32 1.03 7.81 56 V 8.76 4.61 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 0.88 0.00 0.00 0.95 0.00 0.00 57 R 8.50 4.43 0.00 1.35 0.80 0.00 2.50 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.88 0.00 58 Q 9.21 4.61 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 59 Y 8.53 5.03 0.00 3.14 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 60 D 9.09 4.97 0.00 2.61 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 8.18 3.31 0.00 2.16 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.72 0.00 0.00 0.00 0.00 0.00 2.20 1.93 0.00 62 I 7.94 4.49 1.99 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.84 0.87 0.00 0.00 63 L 8.70 4.67 0.00 1.64 1.57 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 64 I 9.02 4.85 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 1.11 0.70 0.91 0.00 0.00 65 E 9.23 5.10 0.00 1.99 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 2.18 2.21 0.00 66 I 8.59 4.87 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 1.23 0.71 0.91 0.00 0.00 67 C 9.32 4.28 0.00 3.07 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 68 G 8.45 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 0.00 0.00 0.00 0.00 69 K 8.24 4.58 0.00 1.63 1.68 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.29 1.25 7.81 70 K 8.38 5.03 0.00 1.63 1.75 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.43 7.81 71 A 8.72 4.76 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 72 I 9.74 4.94 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 1.18 1.06 0.92 0.00 0.00 73 G 7.76 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.12 4.62 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 75 V 8.53 4.45 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 0.98 0.00 0.00 0.94 0.00 0.00 76 L 9.39 5.01 0.00 1.69 1.56 0.93 0.51 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 77 V 8.30 4.75 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 0.98 0.00 0.00 0.93 0.00 0.00 78 G 8.19 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 0.00 0.00 0.00 0.00 79 P 0.00 4.89 0.00 2.18 2.09 0.00 3.80 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 80 T 7.25 4.43 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 1.25 0.00 0.00 81 P 0.00 4.43 0.00 2.07 2.10 0.00 3.67 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 2.11 0.00 82 V 7.23 4.55 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 0.72 0.00 0.00 0.92 0.00 0.00 83 N 8.55 4.77 0.00 2.82 2.72 0.00 0.00 6.71 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 84 I 8.66 4.95 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 1.22 0.93 0.90 0.00 0.00 85 I 9.22 4.40 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 1.16 1.04 0.91 0.00 0.00 86 G 8.36 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 87 R 8.55 4.03 0.00 1.90 1.99 0.00 3.13 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 88 N 7.96 4.41 0.00 2.92 3.09 0.00 0.00 6.78 7.54 0.00 0.00 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 M 7.97 4.26 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.56 0.00 90 L 8.01 4.04 0.00 1.70 1.72 0.95 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.09 3.89 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 1.26 0.00 0.00 92 Q 7.99 4.03 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.28 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 93 L 7.65 4.32 0.00 1.59 1.69 0.92 1.10 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 94 G 7.73 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 0.00 0.00 0.00 95 C 8.16 4.34 0.00 2.96 3.03 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 96 T 8.26 4.71 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 97 L 8.38 4.51 0.00 1.73 1.74 0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.68 5.14 0.00 2.71 2.74 0.00 0.00 6.91 7.45 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 99 F 8.40 4.49 0.00 3.11 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 * Residues marked with a * may have inaccurate shift predictions.