NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.2159 8.1801 122.4917 54.8781 43.2162 176.0411 2 A 4.3499 8.3822 128.0262 50.0134 21.4922 173.6041 3 M 4.6790 9.2482 123.6161 53.9623 35.8637 173.2119 4 T 4.0292 8.4852 123.3693 63.6916 69.3030 173.8621 5 M 4.3686 8.4883 125.8388 54.7052 32.8319 175.6766 6 E 4.7382 8.4058 122.4524 54.4263 33.5461 176.0681 7 H 4.1290 9.1268 123.2848 59.1895 30.0566 176.7472 8 K 4.0066 7.9869 116.4907 58.4999 32.9522 176.3774 9 D 4.8818 7.3167 119.0238 52.2579 42.5082 176.0202 10 R 4.2676 8.3771 123.3710 55.0781 31.1645 175.9669 11 P 4.6292 0.0000 0.0000 62.4253 29.6538 173.9265 12 L 5.0181 7.8756 128.5097 54.8488 43.9101 175.3409 13 V 4.6592 8.8071 117.6834 59.7328 36.6182 174.6390 14 R 4.8994 8.1992 119.9924 55.4754 32.1141 176.0392 15 V 4.9785 8.8593 121.1262 61.3717 35.7581 173.4390 16 I 4.9897 8.9602 127.1567 59.2775 40.3431 173.9432 17 L 5.2919 9.0446 129.4776 53.3287 44.7401 175.5432 18 T 4.9495 8.6208 119.5430 61.6000 72.1214 172.6124 19 N 4.0782 8.2142 126.6612 52.9265 39.1804 174.5316 20 T 4.3235 8.0697 116.3359 61.4702 69.7078 175.2085 21 G 3.8019 8.0041 111.7899 45.1454 0.0000 174.5490 22 S 4.1730 8.4485 113.8456 61.0138 62.6116 174.4664 23 H 4.4771 7.7614 114.0792 54.2729 29.1167 173.2848 24 P 4.4187 0.0000 0.0000 63.0259 31.8333 176.3253 25 V 4.8032 7.8078 113.1517 59.5692 35.7795 175.8013 26 K 4.0686 9.6792 123.1412 58.9261 32.0228 177.6089 27 Q 4.4014 7.7867 118.7965 54.1618 31.1587 174.3989 28 R 4.2698 8.6558 126.4537 58.5264 31.4759 175.9722 29 S 5.3410 8.0443 112.5453 56.8767 66.5995 174.0450 30 V 4.3527 8.8554 116.3315 59.7432 36.0696 173.8553 31 Y 5.3775 8.2505 120.0999 56.7234 39.6629 174.9994 32 I 4.9418 9.1593 116.8681 59.7037 42.0848 173.5345 33 T 5.1647 8.4967 111.2858 60.0590 71.0702 173.1231 34 A 4.9106 9.0627 124.7076 50.6099 23.5924 174.3266 35 L 4.8878 8.5881 121.2598 53.6913 44.2069 175.7869 36 L 4.4234 8.6951 126.8601 54.4047 42.1551 176.3070 37 D 4.8981 9.0778 126.2825 52.1340 42.2362 176.7123 38 S 4.2048 8.8553 121.1325 60.3220 63.4047 175.7115 39 G 3.7046 8.2739 108.7139 46.3149 0.0000 173.0598 40 A 4.6131 7.9092 123.4273 50.4571 20.1530 177.9126 41 D 4.4184 8.9187 122.8769 56.5994 42.0476 176.2076 42 I 5.0380 7.5094 115.8176 59.1081 41.6137 175.1423 43 T 4.5224 8.2937 123.1454 63.5292 69.9696 173.9634 44 I 5.1221 8.7659 125.7285 59.7828 41.4978 174.1220 45 I 4.8552 8.7207 128.5164 59.2325 39.5519 175.9537 46 S 5.0892 8.5022 120.4021 57.5779 63.3508 175.3921 47 E 4.1130 8.6968 121.3510 59.3019 29.5027 179.0454 48 E 3.7833 7.6253 119.3663 58.3077 29.8524 177.0311 49 D 4.5884 7.8202 117.2490 54.7391 41.8720 176.5013 50 W 4.0952 7.5519 129.5653 55.7197 31.2327 174.0907 51 P 3.9618 0.0000 0.0000 62.2989 31.1651 177.6472 52 T 3.9542 8.3543 113.0913 64.4030 68.8547 174.5165 53 D 4.7487 7.9954 119.5376 52.7731 39.5932 175.8559 54 W 4.8476 7.8237 120.9407 54.8085 29.1814 174.4230 55 P 4.6450 0.0000 0.0000 63.3995 31.7059 175.7409 56 V 5.1225 8.5257 114.4278 59.8042 35.7104 174.5544 57 M 4.8301 9.2523 120.2520 53.5449 34.0745 175.1025 58 E 4.3219 8.5864 120.1589 55.2988 30.7716 174.4984 *72 P 4.1805 0.0000 0.0000 62.7551 32.5362 175.7953 73 M 5.0967 8.3490 120.7940 53.7009 36.3749 174.5571 74 R 4.7402 8.7916 118.3553 54.4367 34.6463 174.7067 75 K 4.9284 8.2075 119.9757 54.3253 35.0847 175.8264 76 S 4.5782 8.6645 119.7434 58.7568 62.2893 174.2225 77 R 4.2319 9.1707 128.4505 59.3025 30.3880 176.5199 78 D 4.9602 8.1857 116.8203 53.3266 42.7747 176.1294 79 M 3.3302 8.3833 121.0459 55.1860 33.6787 174.7258 80 I 4.8437 8.1724 126.5616 59.4360 40.3783 174.1269 81 E 4.7519 9.0716 128.6227 55.1177 31.5247 174.8373 82 V 4.8435 9.1812 126.7333 61.0550 34.5392 174.1850 83 G 4.4339 9.0929 115.5646 44.3282 0.0000 171.9435 84 V 4.4979 8.4610 126.0326 62.5242 32.9047 174.4906 85 I 4.9458 8.8014 128.4017 59.5066 39.8381 175.6023 86 N 4.5644 9.2914 124.9691 52.5381 39.3305 176.3468 87 R 3.9926 8.5972 119.1175 59.5583 30.1104 177.7053 88 D 4.5147 8.0109 114.0324 53.4641 39.7065 177.0954 89 G 3.9539 8.4918 109.7858 45.2609 0.0000 174.4043 90 S 4.3059 8.3116 115.0561 58.1446 63.7745 172.9273 91 L 5.0064 8.1957 122.1854 53.8000 42.8959 176.3561 92 E 4.6101 8.9472 123.8669 54.7494 31.4067 176.2326 93 R 4.0988 8.3625 117.8458 55.9020 29.8613 175.1250 94 P 4.8095 0.0000 0.0000 62.6992 32.4823 175.4407 95 L 4.9312 8.7913 120.8105 53.0102 46.1123 175.3613 96 L 5.1785 8.3703 120.9338 53.0322 43.6958 175.7253 97 L 4.4488 8.7556 123.1462 55.1283 44.6222 174.6625 98 F 5.2198 8.6482 118.5141 54.4454 38.9483 173.7445 99 P 4.5842 0.0000 0.0000 62.6029 32.9899 175.6415 100 A 4.7442 8.6504 122.4509 51.2115 20.8158 176.4583 101 V 4.6670 8.5793 119.5539 61.0759 34.6453 174.5007 102 A 4.7195 8.4752 127.5009 50.7099 23.1687 176.2510 103 M 4.4472 8.1857 119.4621 54.8528 30.1875 175.8722 104 V 4.4113 7.2527 113.3435 59.8017 34.8653 176.0692 105 R 4.6166 8.1277 114.8809 55.2695 29.7714 176.2245 106 G 4.2687 7.4489 104.8876 46.8378 0.0000 174.1372 107 S 4.7228 8.1992 120.0327 58.4841 64.6799 173.1076 108 I 5.0232 9.0756 122.8867 59.6035 40.9385 174.4212 109 L 4.7434 9.4338 127.6069 53.5384 43.4055 177.2986 110 G 4.1526 8.4435 111.6204 43.6212 0.0000 173.7860 111 R 4.1469 8.8869 118.8426 58.2389 29.6406 179.0250 112 D 4.3749 7.6362 119.6724 56.8097 39.4126 178.4706 113 C 4.1802 8.0067 117.9424 62.0387 28.3007 175.6769 114 L 3.9789 7.9285 120.6957 58.0087 41.2194 179.4562 115 Q 4.0684 8.2528 119.3537 59.2091 28.8072 178.4196 116 G 3.6547 7.6464 105.5579 47.6264 0.0000 174.9143 117 L 4.3387 7.8645 119.0045 54.5908 41.8861 177.4476 118 G 3.8793 8.0075 106.9340 46.3033 0.0000 174.1648 119 L 4.3323 7.7461 118.9875 54.1833 42.3067 176.8099 120 R 4.6829 8.0325 115.5548 54.5819 32.4400 174.2420 121 L 4.6034 8.2260 119.6554 53.5925 43.1438 175.9371 122 T 4.5212 8.0191 116.0383 61.3717 69.9024 172.4196 123 N 4.9465 8.7145 121.7019 52.4257 38.3187 174.4630 124 L 4.2698 7.8500 124.4919 55.1723 41.8498 176.1638 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 L 8.18 4.22 0.00 1.81 1.65 0.93 0.64 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 2 A 8.38 4.35 1.23 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 0.00 0.00 0.00 3 M 9.25 4.68 0.00 1.92 1.90 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 2.47 2.54 0.00 4 T 8.49 4.03 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 1.29 0.00 0.00 5 M 8.49 4.37 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 6 E 8.41 4.74 0.00 1.96 1.78 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 2.29 2.26 0.00 7 H 9.13 4.13 0.00 3.10 3.38 0.00 5.92 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 8 K 7.99 4.01 0.00 1.88 1.92 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.44 7.81 9 D 7.32 4.88 0.00 2.79 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 10 R 8.38 4.27 0.00 1.79 1.86 0.00 3.20 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 11 P 0.00 4.63 0.00 2.12 2.21 0.00 3.68 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.96 0.00 12 L 7.88 5.02 0.00 1.83 1.59 0.93 0.96 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 13 V 8.81 4.66 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 0.72 0.00 0.00 0.95 0.00 0.00 14 R 8.20 4.90 0.00 1.78 1.82 0.00 2.98 0.00 0.00 3.05 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 15 V 8.86 4.98 2.16 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 1.10 0.00 0.00 0.98 0.00 0.00 16 I 8.96 4.99 2.10 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 1.18 1.45 1.07 0.00 0.00 17 L 9.04 5.29 0.00 1.78 1.84 1.11 0.53 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 18 T 8.62 4.95 4.16 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 1.10 0.00 0.00 19 N 8.21 4.08 0.00 1.44 1.79 0.00 0.00 7.20 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 20 T 8.07 4.32 4.12 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 0.00 0.00 0.00 1.07 0.00 0.00 21 G 8.00 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.45 4.17 0.00 3.83 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 23 H 7.76 4.48 0.00 3.29 3.32 0.00 5.78 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.42 0.00 2.08 2.03 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 25 V 7.81 4.80 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 0.77 0.00 0.00 0.98 0.00 0.00 26 K 9.68 4.07 0.00 1.69 1.87 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.72 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.39 7.81 27 Q 7.79 4.40 0.00 1.90 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.13 0.00 0.00 0.00 0.00 0.00 2.16 2.46 0.00 28 R 8.66 4.27 0.00 1.90 1.87 0.00 3.09 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 29 S 8.04 5.34 0.00 3.70 3.54 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 0.00 30 V 8.86 4.35 1.89 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 0.47 0.00 0.00 0.60 0.00 0.00 31 Y 8.25 5.38 0.00 2.93 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 32 I 9.16 4.94 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.77 0.91 0.00 0.00 33 T 8.50 5.16 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 1.22 0.00 0.00 34 A 9.06 4.91 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 35 L 8.59 4.89 0.00 1.80 1.54 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.70 4.42 0.00 1.57 1.63 0.93 1.25 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 37 D 9.08 4.90 0.00 2.68 2.54 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 0.00 38 S 8.86 4.20 0.00 4.02 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 39 G 8.27 3.70 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 0.00 0.00 0.00 40 A 7.91 4.61 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 41 D 8.92 4.42 0.00 2.62 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 42 I 7.51 5.04 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 1.37 0.92 0.91 0.00 0.00 43 T 8.29 4.52 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 1.29 0.00 0.00 44 I 8.77 5.12 1.87 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 1.21 0.98 0.87 0.00 0.00 45 I 8.72 4.86 2.01 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 1.50 1.46 1.18 0.00 0.00 46 S 8.50 5.09 0.00 4.26 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 47 E 8.70 4.11 0.00 2.07 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 2.36 2.37 0.00 48 E 7.63 3.78 0.00 2.12 1.99 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 2.32 2.28 0.00 49 D 7.82 4.59 0.00 2.93 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 50 W 7.55 4.10 0.00 3.28 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 51 P 0.00 3.96 0.00 0.49 1.10 0.00 2.20 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.04 0.00 52 T 8.35 3.95 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 1.21 0.00 0.00 53 D 8.00 4.75 0.00 2.89 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 54 W 7.82 4.85 0.00 2.84 3.01 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 55 P 0.00 4.65 0.00 2.21 2.24 0.00 3.84 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.99 0.00 56 V 8.53 5.12 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 0.78 0.00 0.00 0.96 0.00 0.00 57 M 9.25 4.83 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 58 E 8.59 4.32 0.00 1.95 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 2.29 2.38 0.00 *72 P 0.00 4.18 0.00 2.04 2.02 0.00 3.60 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 1.91 2.10 0.00 73 M 8.35 5.10 0.00 1.78 1.87 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 2.45 2.48 0.00 74 R 8.79 4.74 0.00 1.60 1.69 0.00 3.06 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.52 0.00 75 K 8.21 4.93 0.00 1.69 1.68 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.32 7.81 76 S 8.66 4.58 0.00 4.05 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 77 R 9.17 4.23 0.00 1.96 2.06 0.00 3.35 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 78 D 8.19 4.96 0.00 2.53 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.38 3.33 0.00 1.85 1.40 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.22 0.00 80 I 8.17 4.84 1.93 0.00 0.00 0.61 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 1.34 1.04 0.00 0.00 81 E 9.07 4.75 0.00 1.93 1.75 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 2.24 2.21 0.00 82 V 9.18 4.84 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 0.96 0.00 0.00 0.99 0.00 0.00 83 G 9.09 4.43 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 0.00 84 V 8.46 4.50 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 1.05 0.00 0.00 0.96 0.00 0.00 85 I 8.80 4.95 1.98 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.09 0.89 0.00 0.00 86 N 9.29 4.56 0.00 2.83 2.74 0.00 0.00 6.59 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 87 R 8.60 3.99 0.00 1.79 2.00 0.00 3.19 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 88 D 8.01 4.51 0.00 2.77 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 89 G 8.49 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 90 S 8.31 4.31 0.00 4.03 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 91 L 8.20 5.01 0.00 1.56 1.65 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.95 4.61 0.00 1.83 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 2.32 2.41 0.00 93 R 8.36 4.10 0.00 1.82 1.95 0.00 3.10 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 94 P 0.00 4.81 0.00 1.95 2.02 0.00 3.62 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 2.02 2.12 0.00 95 L 8.79 4.93 0.00 1.56 1.51 0.96 0.57 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 96 L 8.37 5.18 0.00 1.46 1.46 0.88 0.82 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 97 L 8.76 4.45 0.00 1.75 1.75 1.01 1.05 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 98 F 8.65 5.22 0.00 2.89 3.05 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 99 P 0.00 4.58 0.00 2.15 2.27 0.00 3.84 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.22 0.00 100 A 8.65 4.74 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 0.00 101 V 8.58 4.67 1.04 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 0.64 0.00 0.00 -0.60 0.00 0.00 102 A 8.48 4.72 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 0.00 103 M 8.19 4.45 0.00 2.02 2.04 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 2.60 2.56 0.00 104 V 7.25 4.41 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 0.75 0.00 0.00 0.98 0.00 0.00 105 R 8.13 4.62 0.00 1.90 1.99 0.00 3.12 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 106 G 7.45 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 0.00 0.00 0.00 0.00 107 S 8.20 4.72 0.00 3.99 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 0.00 108 I 9.08 5.02 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 1.24 0.76 0.92 0.00 0.00 109 L 9.43 4.74 0.00 1.58 1.62 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.44 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 0.00 111 R 8.89 4.15 0.00 1.83 2.00 0.00 3.14 0.00 0.00 3.42 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 112 D 7.64 4.37 0.00 2.94 2.95 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 0.00 113 C 8.01 4.18 0.00 3.20 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 0.00 114 L 7.93 3.98 0.00 1.71 1.74 0.93 0.78 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 0.00 115 Q 8.25 4.07 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 116 G 7.65 3.65 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 0.00 117 L 7.86 4.34 0.00 1.81 1.74 0.94 0.78 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 0.00 118 G 8.01 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 0.00 119 L 7.75 4.33 0.00 1.68 1.62 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 120 R 8.03 4.68 0.00 1.85 1.84 0.00 3.02 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 121 L 8.23 4.60 0.00 1.65 1.64 0.93 0.79 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 0.00 122 T 8.02 4.52 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 0.00 123 N 8.71 4.95 0.00 2.80 2.85 0.00 0.00 6.02 7.79 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 0.00 124 L 7.85 4.27 0.00 1.68 1.61 0.92 0.80 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 * Residues marked with a * may have inaccurate shift predictions.