NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.5144 8.1693 120.6432 54.9984 43.1220 175.8952 8 H 4.8074 8.4800 117.2845 53.1891 31.5374 171.3818 9 K 4.4495 9.3233 123.1356 56.3322 33.8532 177.3109 10 E 5.0125 9.2137 123.6215 53.6201 33.3893 173.8396 11 P 4.8334 0.0000 0.0000 63.3105 32.3213 175.0428 12 A 4.8932 8.3879 121.4893 51.4785 23.0152 175.5441 13 T 4.6273 8.6197 115.5051 61.2813 71.9210 173.7539 14 L 4.2488 8.6734 128.4541 55.8158 42.2241 175.6689 15 I 4.4575 8.3773 126.9750 62.1736 38.8059 176.2261 16 K 4.4745 7.4897 117.1274 55.7274 35.0255 174.4413 17 A 4.3829 8.7827 124.4970 52.5497 18.9136 176.0512 18 I 4.3124 8.1684 117.8537 61.5681 39.7954 175.7697 19 D 4.5553 7.5630 116.3310 53.6010 42.3288 175.6621 20 G 3.9347 9.0799 107.5784 48.4958 0.0000 173.8555 21 D 5.0968 8.2385 116.7501 52.7625 41.1718 175.5466 22 T 5.2672 8.1209 115.3574 62.6795 73.1672 173.1408 23 V 4.7370 8.8259 124.5643 61.1849 35.9464 173.4331 24 K 4.9568 8.9950 128.6718 55.5703 33.4860 175.3660 25 L 5.3986 9.3932 127.0757 53.1732 46.5128 175.1605 26 M 4.9054 9.3080 122.3676 54.7444 33.8337 174.1848 27 Y 5.0247 9.0806 127.9872 55.8726 41.9058 175.6107 28 K 3.6045 9.3388 127.5997 57.5540 29.6040 176.3125 29 G 3.9514 8.3462 103.8240 45.6709 0.0000 173.3397 30 Q 4.8212 7.8374 119.4710 53.0038 31.9115 173.2803 31 P 5.1107 0.0000 0.0000 63.2341 32.3812 175.4489 32 M 4.7801 9.3408 118.9953 54.6241 35.1054 173.6033 33 T 4.7881 8.3967 117.3807 63.1985 70.5455 173.4781 34 F 5.0733 9.5436 125.0905 55.6403 41.6200 174.2401 35 R 4.9784 9.0931 124.7161 54.4555 31.6865 175.3330 36 L 4.5566 8.8080 127.9369 54.6834 42.0952 177.3555 37 L 3.9535 8.7228 124.4709 55.5271 42.9373 177.5795 38 L 4.4054 8.7625 119.1385 54.6627 39.6215 174.1227 39 V 5.0533 7.4094 109.0781 59.6680 35.7049 175.2815 40 D 4.7436 8.9181 122.0666 53.0803 43.6318 174.5240 41 T 4.7218 8.5730 116.1700 59.7260 70.6116 173.1826 42 P 4.5745 0.0000 0.0000 62.7517 32.3360 176.0476 43 E 4.1996 9.9817 123.9343 56.6465 30.7668 176.4626 44 T 4.5494 8.4723 115.4905 60.3318 68.5604 174.1512 *51 V 4.1707 7.9664 126.9546 62.0487 32.9805 174.6554 52 E 4.7303 8.6335 121.1550 54.1727 32.7031 175.5793 53 K 3.9884 8.3537 121.1544 58.1750 32.4303 177.1044 54 Y 4.3232 8.0505 120.7092 59.3792 35.7987 171.2283 55 G 3.6190 8.2125 108.1298 47.6127 0.0000 174.3333 56 P 4.3119 0.0000 0.0000 64.9416 31.4517 178.5414 57 E 4.0026 8.2199 116.6840 59.4920 29.4925 179.1328 58 A 4.0518 8.3428 120.9429 55.2762 17.9395 179.8765 59 S 4.1846 8.3054 113.4643 61.7578 62.8429 176.8286 60 A 4.0487 8.4031 123.7802 54.8875 17.9988 179.3514 61 F 3.9421 8.4488 119.1982 61.9092 39.6475 177.5264 62 T 3.9140 8.1447 115.2461 66.3992 68.2028 176.5106 63 K 3.9815 8.1276 121.5120 59.4537 32.2468 178.7663 64 K 3.8479 8.1751 119.9387 59.6461 31.9182 178.3923 65 M 3.8403 7.7661 117.5491 58.7105 32.0366 177.6825 66 D 4.4666 8.3111 119.4865 57.3063 40.8342 178.6180 67 E 4.0042 8.1687 117.0863 59.1636 29.7559 178.2598 68 N 4.4949 8.0382 115.3095 53.4166 39.2094 175.4095 69 A 4.3420 7.0208 123.9910 51.9081 19.0607 177.6262 70 K 4.1642 9.1300 123.9673 58.4208 32.8318 177.5406 71 K 4.6834 8.7688 118.0099 54.6172 36.5926 175.5104 72 I 4.9810 8.4388 124.9909 59.6264 39.9310 174.4031 73 E 5.1643 9.3806 125.6547 54.6349 33.6906 175.0726 74 V 4.5693 8.7517 116.3397 59.5110 34.8601 174.7571 75 E 4.9718 8.8463 124.6657 54.3426 32.0711 174.8291 76 F 4.6225 8.7011 125.6539 57.6294 40.0842 175.7674 77 D 4.9795 8.4851 120.7292 53.4096 43.2360 175.8524 78 K 4.3198 9.0109 117.3341 58.0818 33.0908 178.4650 79 G 4.7789 7.9251 109.4397 43.9493 0.0000 173.6523 80 Q 4.0520 8.6860 122.6912 56.5088 29.3529 176.6761 81 R 4.4618 8.4931 120.2104 56.9650 30.9801 176.1701 82 T 5.0234 7.4103 106.9574 59.7202 71.9332 173.2613 83 D 4.7079 8.5186 123.7794 51.5253 41.3988 177.2583 84 K 3.7522 8.2908 117.4247 59.7296 32.2839 177.0989 85 Y 4.3285 7.9963 115.3541 57.5422 37.8912 176.0068 86 G 3.8854 8.1389 107.6889 45.8370 0.0000 173.8823 87 R 4.3844 8.3830 119.5264 54.7654 31.8911 176.3763 88 G 3.4797 8.5933 111.4623 46.1825 0.0000 172.4695 89 L 5.2393 9.1013 124.8784 52.7011 42.8792 175.4964 90 A 4.3936 8.1851 124.4284 51.2955 23.3503 173.6031 91 Y 4.7873 8.7092 117.0576 56.8750 39.8170 175.4401 92 I 4.7340 8.6587 125.4153 59.9580 39.6381 174.2629 93 Y 5.0753 9.2013 124.0645 56.0462 41.2611 174.4843 94 A 4.9177 9.2400 126.1662 50.1261 21.3014 176.1667 95 D 4.4156 9.9850 124.8349 56.1118 38.9752 175.6987 96 G 3.9560 8.5229 106.2894 45.1415 0.0000 173.5377 97 K 4.4416 7.8912 122.0534 54.7904 33.4672 175.0565 98 M 3.9948 8.4836 126.0097 55.1836 33.2427 176.9350 99 V 3.6304 8.8807 127.1205 66.0206 31.6746 177.6184 100 N 4.3113 8.0812 115.8402 56.5017 38.3678 176.7777 101 E 3.9116 8.0701 119.6629 59.2579 29.8430 178.4669 102 A 4.0414 8.0708 120.8625 55.0212 18.3724 179.6398 103 L 3.3883 8.0479 117.5002 57.8913 41.7420 179.9406 104 V 3.9405 7.4048 119.5909 65.5450 31.2495 178.0629 105 R 4.1076 8.0617 117.6863 58.9318 29.9992 177.3310 106 Q 4.2200 7.7110 117.0668 55.4437 29.3582 175.7590 107 G 3.9394 7.8775 107.1549 47.4825 0.0000 174.5868 108 L 4.4293 7.6473 116.6652 53.8856 42.3897 176.2634 109 A 4.6489 7.4374 119.2811 50.9808 22.5819 175.8787 110 K 4.8167 8.4919 119.9680 54.5591 35.2514 176.0199 111 V 4.3769 9.0688 123.3386 63.1614 32.2994 175.0671 112 A 4.1250 9.0749 127.6271 51.4299 23.1407 174.5766 113 Y 3.2066 7.6687 115.1232 59.0451 34.4218 172.2368 114 V 3.8916 6.9036 118.1768 61.6270 31.0274 174.1462 115 Y 5.0509 7.8373 122.8014 55.8353 41.6064 175.4637 116 K 4.0056 9.8288 116.8516 57.6269 29.8703 176.0807 117 G 3.8249 8.4156 102.8137 46.7988 0.0000 175.2659 118 N 5.0236 8.1797 119.0181 51.2764 37.5952 174.2550 119 N 5.1843 7.9645 115.4265 52.5582 39.0253 177.3733 120 T 3.8202 8.4711 117.9642 67.5933 68.6896 174.8884 121 H 4.8082 8.0438 115.7328 55.6921 29.1891 176.3456 122 E 3.9760 8.3045 123.0191 59.8287 29.3058 179.1047 123 Q 3.9965 8.0415 117.2745 58.8472 28.7270 178.3315 124 L 3.9473 7.8946 120.8425 58.2761 42.1826 178.9477 125 L 4.0653 8.1683 118.9193 57.6989 41.5552 179.6298 126 R 3.9487 8.3745 118.6403 59.1260 30.0284 179.2636 127 K 3.9535 8.2553 118.2034 59.3074 32.0322 179.3112 128 A 3.9773 7.8271 120.9604 54.9683 18.1827 179.3183 129 E 3.8408 8.2955 117.6725 59.3504 29.6600 178.8648 130 A 3.6959 7.8543 120.8232 55.0757 18.3911 179.4596 131 Q 3.7693 7.9551 117.6349 59.2549 29.0940 178.2354 132 A 3.9904 8.0137 121.8705 54.9461 18.3884 179.5766 133 K 3.3848 7.8289 118.4827 59.2400 31.9067 179.0003 134 K 3.8821 7.8529 119.1538 59.1853 32.1990 177.7336 135 E 4.2497 8.1089 115.8395 55.3047 29.7359 176.2006 136 K 4.0789 8.0024 118.3497 57.2194 30.5653 175.0568 137 L 4.3765 8.3134 118.3947 55.8711 44.2765 178.5760 138 N 3.3868 9.4487 118.3965 54.0090 38.4443 176.1177 139 I 3.1597 4.0000 125.3519 64.7109 37.7707 176.8149 140 W 4.7277 7.7055 117.3786 56.5977 29.2090 176.5243 141 S 4.7182 8.1448 119.2563 58.0238 62.5095 173.9695 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 7 L 8.17 4.51 0.00 1.69 1.90 0.99 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.48 4.81 0.00 3.32 3.23 0.00 5.52 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 9 K 9.32 4.45 0.00 1.55 1.64 0.00 1.36 0.00 0.00 1.18 0.00 0.00 2.13 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.97 1.22 7.81 10 E 9.21 5.01 0.00 2.04 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 0.00 2.38 2.25 0.00 11 P 0.00 4.83 0.00 2.10 2.07 0.00 3.86 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 12 A 8.39 4.89 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 13 T 8.62 4.63 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 1.23 0.00 0.00 14 L 8.67 4.25 0.00 1.66 1.59 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.38 4.46 2.07 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 1.32 1.01 0.94 0.00 0.00 16 K 7.49 4.47 0.00 1.78 1.86 0.00 1.51 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.39 7.81 17 A 8.78 4.38 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 18 I 8.17 4.31 2.00 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 1.48 0.74 0.91 0.00 0.00 19 D 7.56 4.56 0.00 2.83 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 20 G 9.08 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 0.00 0.00 0.00 21 D 8.24 5.10 0.00 2.79 2.86 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 22 T 8.12 5.27 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 1.27 0.00 0.00 23 V 8.83 4.74 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 0.92 0.00 0.00 1.02 0.00 0.00 24 K 9.00 4.96 0.00 1.96 1.89 0.00 1.57 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.52 7.81 25 L 9.39 5.40 0.00 1.86 1.65 0.90 0.03 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 26 M 9.31 4.91 0.00 2.15 2.00 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 2.59 2.56 0.00 27 Y 9.08 5.02 0.00 3.36 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 28 K 9.34 3.60 0.00 1.43 1.62 0.00 1.51 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.05 0.43 7.81 29 G 8.35 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 0.00 0.00 0.00 30 Q 7.84 4.82 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 31 P 0.00 5.11 0.00 2.12 2.10 0.00 3.84 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 2.02 2.00 0.00 32 M 9.34 4.78 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.76 0.00 33 T 8.40 4.79 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 1.22 0.00 0.00 34 F 9.54 5.07 0.00 3.01 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 35 R 9.09 4.98 0.00 1.88 1.80 0.00 3.39 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 36 L 8.81 4.56 0.00 1.55 1.62 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.72 3.95 0.00 0.88 1.25 0.21 0.69 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 38 L 8.76 4.41 0.00 2.00 1.81 1.14 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.41 5.05 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 0.78 0.00 0.00 0.97 0.00 0.00 40 D 8.92 4.74 0.00 2.54 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 0.00 0.00 0.00 0.00 41 T 8.57 4.72 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 42 P 0.00 4.57 0.00 2.06 2.08 0.00 3.67 0.00 0.00 3.70 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 43 E 9.98 4.20 0.00 1.89 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 2.34 2.38 0.00 44 T 8.47 4.55 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 1.22 0.00 0.00 *51 V 7.97 4.17 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 0.69 0.00 0.00 0.94 0.00 0.00 52 E 8.63 4.73 0.00 1.91 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 2.22 2.37 0.00 53 K 8.35 3.99 0.00 1.64 1.53 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.42 7.81 54 Y 8.05 4.32 0.00 3.15 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 55 G 8.21 3.62 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 0.00 0.00 0.00 56 P 0.00 4.31 0.00 2.16 2.11 0.00 3.58 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 2.17 0.00 57 E 8.22 4.00 0.00 2.40 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 2.58 2.53 0.00 58 A 8.34 4.05 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 59 S 8.31 4.18 0.00 4.07 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 60 A 8.40 4.05 1.43 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 0.00 0.00 61 F 8.45 3.94 0.00 3.32 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 62 T 8.14 3.91 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 1.30 0.00 0.00 63 K 8.13 3.98 0.00 1.93 2.00 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.45 7.81 64 K 8.18 3.85 0.00 1.86 1.80 0.00 1.65 0.00 0.00 1.48 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.43 7.81 65 M 7.77 3.84 0.00 1.85 1.63 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 66 D 8.31 4.47 0.00 2.78 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 67 E 8.17 4.00 0.00 2.10 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 2.49 2.32 0.00 68 N 8.04 4.49 0.00 2.76 2.87 0.00 0.00 6.98 7.08 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 69 A 7.02 4.34 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.13 4.16 0.00 1.73 2.00 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.40 7.81 71 K 8.77 4.68 0.00 1.68 1.62 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.40 7.81 72 I 8.44 4.98 2.04 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 1.33 1.46 0.84 0.00 0.00 73 E 9.38 5.16 0.00 1.88 1.77 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 2.20 2.25 0.00 74 V 8.75 4.57 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 -0.23 0.00 0.00 0.70 0.00 0.00 75 E 8.85 4.97 0.00 2.18 2.32 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 2.48 2.53 0.00 76 F 8.70 4.62 0.00 3.04 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 77 D 8.49 4.98 0.00 2.74 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 78 K 9.01 4.32 0.00 1.80 1.90 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.46 7.81 79 G 7.93 4.78 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 0.00 0.00 0.00 80 Q 8.69 4.05 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.88 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 81 R 8.49 4.46 0.00 1.60 1.38 0.00 2.65 0.00 0.00 2.40 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 82 T 7.41 5.02 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 1.14 0.00 0.00 83 D 8.52 4.71 0.00 2.87 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 84 K 8.29 3.75 0.00 1.53 1.74 0.00 1.20 0.00 0.00 1.43 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.00 0.30 7.81 85 Y 8.00 4.33 0.00 3.08 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 86 G 8.14 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 87 R 8.38 4.38 0.00 2.04 1.80 0.00 3.11 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 88 G 8.59 3.48 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 0.00 0.00 0.00 89 L 9.10 5.24 0.00 1.56 1.64 0.98 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.19 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.71 4.79 0.00 3.01 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 I 8.66 4.73 1.78 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.05 0.86 0.00 0.00 93 Y 9.20 5.08 0.00 2.77 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 94 A 9.24 4.92 1.19 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 95 D 9.98 4.42 0.00 2.79 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 96 G 8.52 3.96 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 0.00 0.00 0.00 97 K 7.89 4.44 0.00 1.83 1.87 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.39 7.81 98 M 8.48 3.99 0.00 1.91 1.52 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 2.36 0.00 99 V 8.88 3.63 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 1.05 0.00 0.00 1.00 0.00 0.00 100 N 8.08 4.31 0.00 2.90 2.94 0.00 0.00 6.76 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 0.00 101 E 8.07 3.91 0.00 1.97 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 0.00 2.36 2.35 0.00 102 A 8.07 4.04 1.60 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 0.00 0.00 103 L 8.05 3.39 0.00 1.87 1.63 1.02 0.49 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 0.00 104 V 7.40 3.94 2.21 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 1.41 0.00 0.00 0.97 0.00 0.00 105 R 8.06 4.11 0.00 1.87 2.12 0.00 3.34 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 106 Q 7.71 4.22 0.00 1.88 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.29 0.00 0.00 0.00 0.00 0.00 1.99 2.25 0.00 107 G 7.88 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 0.00 108 L 7.65 4.43 0.00 1.30 1.51 0.56 0.44 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 0.00 109 A 7.44 4.65 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 0.00 110 K 8.49 4.82 0.00 1.70 1.89 0.00 1.54 0.00 0.00 1.63 0.00 0.00 2.13 0.00 0.00 2.29 0.00 0.00 0.00 0.00 1.34 1.14 7.81 111 V 9.07 4.38 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 0.75 0.00 0.00 0.96 0.00 0.00 112 A 9.07 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 7.67 3.21 0.00 3.15 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 0.00 114 V 6.90 3.89 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 0.80 0.00 0.00 0.88 0.00 0.00 115 Y 7.84 5.05 0.00 3.08 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 0.00 116 K 9.83 4.01 0.00 1.91 1.84 0.00 1.83 0.00 0.00 1.86 0.00 0.00 2.69 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.47 7.81 117 G 8.42 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 0.00 0.00 0.00 118 N 8.18 5.02 0.00 2.91 2.81 0.00 0.00 6.60 7.52 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 0.00 119 N 7.96 5.18 0.00 3.07 2.98 0.00 0.00 6.10 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 0.00 120 T 8.47 3.82 4.17 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 1.03 0.00 0.00 121 H 8.04 4.81 0.00 2.93 3.09 0.00 5.64 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.30 3.98 0.00 2.15 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 2.32 2.39 0.00 123 Q 8.04 4.00 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 124 L 7.89 3.95 0.00 1.75 1.84 0.96 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.17 4.07 0.00 1.93 1.73 1.06 0.81 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 0.00 126 R 8.37 3.95 0.00 2.09 1.95 0.00 3.17 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 127 K 8.26 3.95 0.00 1.95 1.82 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.65 7.81 128 A 7.83 3.98 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 0.00 129 E 8.30 3.84 0.00 2.18 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 2.05 2.52 0.00 130 A 7.85 3.70 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 0.00 131 Q 7.96 3.77 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 132 A 8.01 3.99 1.52 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 0.00 133 K 7.83 3.38 0.00 0.79 1.39 0.00 0.69 0.00 0.00 1.12 0.00 0.00 2.72 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.10 0.86 7.81 134 K 7.85 3.88 0.00 1.77 1.93 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.43 7.81 135 E 8.11 4.25 0.00 1.98 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 2.30 2.46 0.00 136 K 8.00 4.08 0.00 2.00 1.90 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.40 7.81 137 L 8.31 4.38 0.00 1.77 1.70 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.45 3.39 0.00 2.53 1.42 0.00 0.00 7.12 7.55 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 0.00 139 I 4.00 3.16 1.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 -0.07 0.00 0.00 140 W 7.71 4.73 0.00 3.21 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 0.00 141 S 8.14 4.72 0.00 3.98 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 * Residues marked with a * may have inaccurate shift predictions.