NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2532 0.0000 0.0000 62.3881 32.0879 175.5677 3 R 3.9892 8.4398 125.0979 54.1200 30.0194 174.6253 4 A 4.3185 9.1221 131.3182 50.6402 18.5404 176.4291 5 K 4.2552 8.1717 120.3976 57.2107 32.9407 178.1445 6 T 3.9495 8.5652 117.7175 64.7632 69.7517 178.2667 7 G 3.8509 8.4496 107.5418 46.0150 0.0000 173.1454 8 V 3.8678 8.4206 117.0432 64.7899 33.9724 180.5422 9 V 2.5344 6.4777 114.5567 62.1290 34.9119 176.4281 10 R 3.7826 7.9400 118.6750 59.9552 30.2300 178.1497 11 R 3.8608 8.0021 117.2987 59.7278 30.2330 178.3203 12 R 3.8940 8.0969 116.9403 59.4958 28.9164 178.9528 13 K 3.8924 8.2525 118.3377 59.7550 32.0045 178.5522 14 H 4.6507 8.2660 116.1512 57.9082 29.1574 177.3089 15 K 3.8582 8.1948 120.9503 60.6286 32.1099 178.4424 16 K 3.8336 8.0889 119.1456 59.6498 31.7704 179.0046 17 I 3.7376 7.2938 120.1044 64.7076 37.3355 178.2257 18 L 4.0504 8.5025 120.1280 57.6890 41.3924 179.3891 19 K 3.9744 8.4616 118.2668 59.8421 31.9033 178.7305 20 L 3.8591 7.4489 117.6214 57.4234 41.6020 178.9920 21 A 3.9375 8.4713 120.2804 50.7692 20.5953 176.7214 22 K 4.0709 7.3414 121.2704 58.7045 32.9086 178.3007 23 G 3.8849 8.7085 110.8854 45.4493 0.0000 172.9990 24 Y 4.8925 6.8045 116.9088 56.9720 39.3486 175.1364 25 W 4.2873 9.0768 133.0366 58.4598 31.2802 178.3654 26 G 4.0201 8.5134 103.4518 44.9939 0.0000 177.6708 27 L 3.5075 8.9393 128.3546 56.9948 41.7343 178.8681 28 R 4.2581 8.3069 117.7876 58.6907 30.0585 177.2317 29 S 5.0264 9.0058 112.8426 57.7090 63.2986 174.7947 30 K 4.4905 8.8023 117.8672 56.6669 35.4620 176.1608 31 S 4.5626 8.0002 117.0382 56.7107 63.4752 175.1248 *32 F 4.0578 8.6619 127.2670 58.8478 38.2092 172.6797 33 R 4.5296 7.6490 112.1149 57.0732 31.6005 177.6087 34 K 3.9223 9.1580 118.4129 59.3307 32.1287 178.6057 35 A 4.8166 8.7213 122.7357 55.2102 18.3960 179.2877 36 R 3.2429 7.8385 113.9871 59.3947 29.8546 177.9309 37 E 3.5303 8.1827 117.5422 59.9604 29.6660 179.9425 38 T 3.7486 7.8478 115.4036 66.5822 68.3841 176.6200 39 L 4.0692 7.9352 119.6521 57.8183 41.8425 179.6453 40 F 4.6620 7.8008 117.5415 60.5089 38.8968 177.2204 41 A 3.5818 7.6067 118.8010 55.3138 18.2951 179.2889 42 A 4.1077 8.2572 119.4984 56.2681 18.3747 178.8835 43 G 3.7084 8.6698 104.2868 47.7951 0.0000 175.1936 44 N 4.4457 8.1650 116.2552 55.9967 39.1259 176.4879 45 Y 4.4524 8.2048 117.7975 61.7405 38.0002 178.6109 46 A 4.0150 8.2036 120.5896 55.4716 18.6800 178.5985 47 Y 4.1525 8.1673 116.6707 61.1831 38.7632 178.7952 48 A 4.0029 9.7122 121.3152 55.4020 18.3444 179.4225 49 H 4.2059 8.4227 114.9191 59.1276 29.0420 178.0241 50 R 3.5651 8.4909 120.2071 59.3805 29.4701 179.2123 51 K 4.0523 7.5554 116.9275 59.1115 31.9175 179.6382 52 R 3.6870 7.6986 118.5890 59.2583 30.1205 178.7710 53 R 3.7800 8.5329 119.3800 60.0832 29.9431 177.6488 54 K 3.9143 7.7606 116.6202 60.1224 32.2698 178.5283 55 R 4.1976 7.7656 114.4314 57.4093 29.4685 178.1172 56 D 4.1130 8.0219 120.4825 57.8032 41.3010 178.1164 57 F 3.2037 7.8291 118.0995 60.0058 38.5819 177.2134 58 R 4.0017 7.3426 117.4094 60.0489 29.8890 178.7332 59 R 3.7744 7.6901 115.6230 59.6306 30.1257 179.1985 60 L 3.7406 7.3427 117.3105 57.4085 41.6718 179.5377 61 W 4.6845 8.1105 118.6535 59.6435 29.4652 178.6971 62 I 3.6502 7.5421 119.4358 64.5148 36.0549 177.7516 63 V 3.5132 7.4922 118.3560 66.8355 30.9946 177.6360 64 R 3.9004 8.0999 116.1397 59.9663 30.2449 178.6636 65 I 3.5128 7.8148 117.2343 65.6048 37.3179 177.1168 66 N 4.5095 9.5130 117.1723 57.3693 38.6379 176.8613 67 A 4.2874 9.3245 118.2851 52.8138 18.4337 176.9688 68 A 4.5345 8.5946 123.0650 54.9932 21.0915 178.6027 69 C 4.7759 9.0555 109.1201 58.5995 30.0214 175.1857 70 R 4.5864 7.8766 121.3511 57.9571 30.1086 177.9559 71 Q 4.1380 7.8567 118.1489 58.5585 29.1338 175.8400 72 H 4.8764 7.7631 113.9501 55.6151 29.4451 174.7608 73 G 4.0519 7.7433 104.7394 45.6381 0.0000 174.2217 74 L 4.5876 7.2079 115.8176 53.1201 43.5812 174.5289 75 N 4.7381 8.6091 118.1441 53.1039 40.5700 175.8688 76 Y 3.9532 8.9044 125.1281 61.3255 38.9783 178.3127 77 S 4.2647 8.5366 114.6345 61.7734 62.8943 176.1134 78 T 3.9057 8.0875 118.8847 66.9229 68.2438 175.5504 79 F 3.7069 8.9665 119.7478 61.8502 39.1428 177.0538 80 I 3.6004 8.3036 118.5640 65.1156 37.2692 177.4177 81 H 4.4016 8.3271 118.0163 59.7430 29.5081 177.3316 82 G 3.7618 8.4182 105.8510 46.9640 0.0000 174.7218 83 L 4.4069 9.0364 121.2112 56.7387 42.2007 178.2756 84 K 4.0236 8.0320 119.0492 59.7116 31.8195 177.6907 85 K 4.2820 7.7925 115.2838 57.1878 32.1106 177.0228 86 A 4.6194 7.1177 118.2422 53.7906 20.4812 177.1021 87 G 4.0215 8.4201 107.9413 45.2633 0.0000 174.4107 88 I 4.7721 7.8883 123.8968 61.3881 37.7289 175.1401 89 E 4.3254 8.1622 118.5926 57.4952 29.5677 177.8200 90 V 4.4076 8.5684 121.4563 62.6881 33.3557 174.7110 91 D 4.4824 9.1015 119.8047 54.8034 41.1175 173.3633 92 R 3.5321 7.6577 118.2996 57.3809 28.1409 177.0068 93 K 4.5262 8.0359 124.4355 59.3415 32.9438 177.6894 94 N 3.1400 7.4470 117.4680 55.6818 38.5631 176.5109 95 L 4.0289 7.8804 116.9362 55.7542 41.8013 177.4695 96 A 4.3810 7.2789 122.8046 51.5605 18.7677 177.9618 97 D 4.4841 7.5860 120.9125 55.7836 41.6492 176.6452 98 L 4.4252 7.7081 120.1411 57.8837 41.4283 178.6575 99 A 3.3888 7.5872 119.4090 54.9885 17.9822 177.6273 100 V 3.8603 7.3098 114.5511 63.2751 32.9585 175.9169 101 R 3.9170 7.5897 115.1071 57.6319 31.5830 176.0544 102 E 3.8442 8.8598 117.2018 56.6265 27.9618 173.5968 103 P 4.7297 0.0000 0.0000 65.4749 31.9293 178.5024 104 Q 4.0426 8.0753 118.3170 58.8070 28.6714 178.1201 105 V 3.6536 7.7123 119.3814 65.8211 31.4218 177.9580 106 F 4.3844 8.2914 119.6432 61.5968 39.4651 176.3946 107 A 3.8591 8.2606 120.2740 55.6744 18.0567 179.0869 108 E 3.8457 8.1084 115.6087 59.6544 29.2421 179.9020 109 L 3.8971 7.2944 117.9864 57.9957 41.7343 179.2598 110 V 2.7562 7.2809 117.9936 66.1276 31.3554 177.5824 111 E 3.8275 8.1844 117.8047 59.5799 29.1453 179.6370 112 R 3.8107 8.1743 117.9648 59.9878 30.4803 177.5510 113 A 3.7749 9.0324 121.3867 53.8007 17.9414 179.0614 114 K 3.7199 8.1173 116.2747 59.8348 32.8347 178.4182 115 A 3.8498 7.7924 120.6206 55.4725 18.0136 179.1825 116 A 3.9991 7.8069 118.6415 53.9847 19.2889 177.7959 117 Q 4.6037 8.0179 116.4808 55.0203 29.2613 176.0133 118 G 3.7257 7.8694 110.9479 45.8148 0.0000 173.5329 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 P 0.00 4.25 0.00 2.06 2.09 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 3 R 8.44 3.99 0.00 1.84 1.85 0.00 3.23 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 4 A 9.12 4.32 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 5 K 8.17 4.26 0.00 1.76 1.81 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.46 7.81 6 T 8.57 3.95 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 7 G 8.45 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 8 V 8.42 3.87 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 0.98 0.00 0.00 0.93 0.00 0.00 9 V 6.48 2.53 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 0.96 0.00 0.00 10 R 7.94 3.78 0.00 1.90 1.91 0.00 3.30 0.00 0.00 3.30 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 11 R 8.00 3.86 0.00 1.96 2.04 0.00 3.16 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 12 R 8.10 3.89 0.00 2.10 1.97 0.00 3.22 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 13 K 8.25 3.89 0.00 1.80 1.85 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.64 7.81 14 H 8.27 4.65 0.00 3.35 3.28 0.00 5.67 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.19 3.86 0.00 1.96 2.11 0.00 1.33 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.72 1.51 7.81 16 K 8.09 3.83 0.00 1.99 1.88 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.72 7.81 17 I 7.29 3.74 2.01 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.76 0.90 0.00 0.00 18 L 8.50 4.05 0.00 1.81 1.66 0.90 0.88 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 19 K 8.46 3.97 0.00 1.90 1.85 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.72 7.81 20 L 7.45 3.86 0.00 1.77 1.78 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.47 3.94 1.38 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 22 K 7.34 4.07 0.00 1.68 1.65 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.46 7.81 23 G 8.71 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 24 Y 6.80 4.89 0.00 2.91 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 25 W 9.08 4.29 0.00 3.41 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 26 G 8.51 4.02 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 0.00 0.00 0.00 27 L 8.94 3.51 0.00 1.75 1.76 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.31 4.26 0.00 2.10 2.07 0.00 3.22 0.00 0.00 3.43 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.81 0.00 29 S 9.01 5.03 0.00 3.93 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 30 K 8.80 4.49 0.00 1.63 1.78 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.46 7.81 31 S 8.00 4.56 0.00 3.80 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 *32 F 8.66 4.06 0.00 2.33 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 0.00 0.00 0.00 33 R 7.65 4.53 0.00 1.89 2.12 0.00 2.94 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 34 K 9.16 3.92 0.00 1.74 1.93 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.61 7.81 35 A 8.72 4.82 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.84 3.24 0.00 1.74 1.72 0.00 3.19 0.00 0.00 3.35 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.62 0.00 37 E 8.18 3.53 0.00 2.10 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 2.30 2.53 0.00 38 T 7.85 3.75 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 0.63 0.00 0.00 39 L 7.94 4.07 0.00 1.68 1.85 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 40 F 7.80 4.66 0.00 3.31 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 41 A 7.61 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.26 4.11 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 43 G 8.67 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 44 N 8.16 4.45 0.00 2.74 3.01 0.00 0.00 6.82 7.48 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 45 Y 8.20 4.45 0.00 3.18 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 46 A 8.20 4.01 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 47 Y 8.17 4.15 0.00 3.10 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 48 A 9.71 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 49 H 8.42 4.21 0.00 3.46 3.33 0.00 5.84 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 50 R 8.49 3.57 0.00 1.77 1.97 0.00 3.16 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 51 K 7.56 4.05 0.00 1.95 1.73 0.00 1.55 0.00 0.00 1.50 0.00 0.00 2.65 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.13 1.19 7.81 52 R 7.70 3.69 0.00 1.87 1.85 0.00 3.21 0.00 0.00 3.01 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 53 R 8.53 3.78 0.00 1.85 2.00 0.00 3.29 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.95 0.00 54 K 7.76 3.91 0.00 2.07 1.84 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.75 7.81 55 R 7.77 4.20 0.00 2.10 2.15 0.00 2.73 0.00 0.00 3.06 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.56 0.00 56 D 8.02 4.11 0.00 2.56 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 57 F 7.83 3.20 0.00 2.32 1.45 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 58 R 7.34 4.00 0.00 1.92 2.02 0.00 3.14 0.00 0.00 3.21 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.95 0.00 59 R 7.69 3.77 0.00 1.91 1.84 0.00 3.04 0.00 0.00 3.07 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 60 L 7.34 3.74 0.00 1.11 1.46 -0.23 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 61 W 8.11 4.68 0.00 3.67 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 62 I 7.54 3.65 1.88 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.03 0.37 0.00 0.00 63 V 7.49 3.51 2.06 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 1.00 0.00 0.00 0.92 0.00 0.00 64 R 8.10 3.90 0.00 2.06 1.96 0.00 3.45 0.00 0.00 3.24 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.93 0.00 65 I 7.81 3.51 2.29 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.95 0.84 0.00 0.00 66 N 9.51 4.51 0.00 2.87 2.99 0.00 0.00 7.25 8.12 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 67 A 9.32 4.29 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 68 A 8.59 4.53 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 69 C 9.06 4.78 0.00 3.31 4.02 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 70 R 7.88 4.59 0.00 2.19 2.03 0.00 3.27 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 71 Q 7.86 4.14 0.00 2.11 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.22 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 72 H 7.76 4.88 0.00 3.23 3.21 0.00 5.88 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 7.74 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 74 L 7.21 4.59 0.00 1.85 1.72 1.06 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.61 4.74 0.00 2.91 2.94 0.00 0.00 6.59 7.48 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 76 Y 8.90 3.95 0.00 3.27 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 77 S 8.54 4.26 0.00 4.17 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 78 T 8.09 3.91 4.42 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 0.00 0.00 0.00 1.23 0.00 0.00 79 F 8.97 3.71 0.00 3.04 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 80 I 8.30 3.60 1.81 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.07 0.83 0.00 0.00 81 H 8.33 4.40 0.00 3.27 3.56 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.42 3.76 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 0.00 0.00 0.00 83 L 9.04 4.41 0.00 2.02 1.74 1.26 0.93 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 84 K 8.03 4.02 0.00 1.87 1.86 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.61 7.81 85 K 7.79 4.28 0.00 1.67 1.67 0.00 1.80 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.43 7.81 86 A 7.12 4.62 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 87 G 8.42 4.02 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 0.00 0.00 0.00 88 I 7.89 4.77 1.89 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 1.45 0.52 0.93 0.00 0.00 89 E 8.16 4.33 0.00 1.96 2.01 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 2.31 2.36 0.00 90 V 8.57 4.41 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 0.74 0.00 0.00 0.90 0.00 0.00 91 D 9.10 4.48 0.00 2.94 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 92 R 7.66 3.53 0.00 1.88 1.74 0.00 3.15 0.00 0.00 3.12 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.52 0.00 93 K 8.04 4.53 0.00 1.96 2.09 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.64 1.73 7.81 94 N 7.45 3.14 0.00 1.44 2.02 0.00 0.00 7.24 6.66 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 95 L 7.88 4.03 0.00 1.70 1.59 0.83 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.28 4.38 1.38 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 97 D 7.59 4.48 0.00 2.76 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 98 L 7.71 4.43 0.00 1.78 1.74 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.59 3.39 0.46 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 0.00 100 V 7.31 3.86 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 0.89 0.00 0.00 0.88 0.00 0.00 101 R 7.59 3.92 0.00 1.90 1.84 0.00 3.31 0.00 0.00 3.38 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 102 E 8.86 3.84 0.00 2.22 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 0.00 2.29 2.23 0.00 103 P 0.00 4.73 0.00 2.39 2.52 0.00 3.89 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.95 0.00 104 Q 8.08 4.04 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.93 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 105 V 7.71 3.65 2.28 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 1.05 0.00 0.00 0.99 0.00 0.00 106 F 8.29 4.38 0.00 3.11 3.35 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 0.00 107 A 8.26 3.86 1.38 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 0.00 108 E 8.11 3.85 0.00 2.00 2.01 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 2.32 2.56 0.00 109 L 7.29 3.90 0.00 1.93 1.74 1.17 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.28 2.76 1.94 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 0.78 0.00 0.00 0.06 0.00 0.00 111 E 8.18 3.83 0.00 2.07 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 2.39 2.41 0.00 112 R 8.17 3.81 0.00 1.79 1.89 0.00 3.39 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 113 A 9.03 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 K 8.12 3.72 0.00 1.90 2.04 0.00 1.31 0.00 0.00 1.50 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.56 7.81 115 A 7.79 3.85 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.81 4.00 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 0.00 117 Q 8.02 4.60 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 118 G 7.87 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 * Residues marked with a * may have inaccurate shift predictions.