NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 M 4.4755 8.2893 120.3327 54.2526 33.3807 174.6778 8 P 4.4747 0.0000 0.0000 62.8184 32.8476 173.2655 9 Q 5.3916 8.6256 117.9347 53.1009 33.1777 176.1553 10 F 4.5329 8.3210 123.7440 56.5896 42.8599 173.0259 11 N 4.9533 8.0509 125.6181 52.3536 38.5364 173.1517 12 L 4.3010 8.8753 128.7313 54.9795 43.4242 175.4570 13 R 4.7434 8.9852 128.4615 54.2701 30.8060 175.6306 14 W 4.2397 8.9527 135.0000 56.4780 31.7116 174.0981 15 P 4.2714 0.0000 0.0000 63.4069 31.3819 175.4777 16 G 3.8301 8.9461 104.8318 47.5680 0.0000 173.5592 17 G 3.9192 7.9312 99.0282 46.2513 0.0000 173.1088 18 G 4.0839 7.8290 107.3902 42.9746 0.0000 171.6053 19 P 4.4080 0.0000 0.0000 62.8678 32.6837 174.9641 20 Q 5.0018 7.9733 117.9679 53.9869 31.6803 175.2836 21 F 4.8506 8.9088 121.4760 55.6125 42.4592 173.9636 22 N 4.7980 8.9795 122.7006 52.7799 39.4506 174.1564 23 L 4.2182 8.5108 128.1572 53.6419 42.9149 176.8423 24 R 5.1354 8.4431 125.3116 53.7826 28.3845 175.7530 25 W 5.0110 8.0118 121.4012 53.8012 32.3814 174.2358 26 P 4.5173 0.0000 0.0000 62.6766 31.7943 178.0688 27 R 4.0399 8.8272 120.7286 59.5338 29.7012 179.2836 28 E 4.0129 8.2541 116.8551 59.2266 29.5773 179.4083 29 V 3.6808 7.8122 118.8053 65.9350 31.9389 177.6551 30 L 4.2040 8.0198 119.8138 58.2987 42.0238 178.6145 31 D 4.3804 8.3668 119.0317 57.2010 40.7202 178.4797 32 L 3.8275 7.6654 120.5885 58.0239 42.0019 179.0912 33 V 3.9038 7.8096 117.9845 66.1972 31.4443 178.3115 34 R 3.8829 7.9694 117.6248 58.9892 30.0197 178.8721 35 K 3.9024 7.8985 119.1315 59.5978 32.3499 179.0450 36 V 3.6059 7.8680 118.2948 65.7729 31.3665 177.7221 37 A 4.1734 8.0309 120.6361 55.1972 18.2640 179.1456 38 E 3.8403 8.2199 117.6994 59.5310 29.5155 178.5063 39 E 3.9588 7.7937 117.4347 59.2849 29.7473 177.7881 40 N 4.6955 7.9184 113.2365 52.7128 38.9894 175.2899 41 G 3.8585 8.0345 108.4326 46.7604 0.0000 173.6016 42 R 4.7191 8.0096 117.2253 53.3321 33.8238 176.2243 43 S 4.5764 8.1758 113.9771 57.7389 65.6501 175.3292 44 V 3.6221 8.2713 121.9865 66.0388 31.2237 177.8295 45 N 4.4875 8.2347 116.4367 56.8274 38.9662 176.6846 46 S 4.1111 8.1574 114.5330 61.3426 62.5098 175.6177 47 E 3.9841 8.6744 122.4884 59.3429 29.3422 178.9333 48 I 3.7354 7.9869 119.8680 64.4092 37.0740 177.7224 49 Y 3.7985 7.9077 120.2488 60.8296 38.6115 177.9149 50 Q 3.7849 8.5268 119.2180 59.3214 28.8478 179.6216 51 R 3.8351 7.9279 118.7789 59.0362 30.1738 179.3243 52 V 3.5391 7.8463 118.2715 65.8692 31.4591 177.7350 53 M 3.9635 8.2914 118.3958 58.8668 32.0270 178.1625 54 E 3.9292 8.5679 119.1022 59.2645 29.6422 179.5616 55 S 3.9937 7.9444 114.5582 61.2650 63.0697 176.5019 56 F 4.2573 8.0800 120.9582 59.8418 38.6712 177.8186 57 K 4.2322 8.4736 119.6735 59.1679 31.7061 178.8392 58 K 4.0321 7.9868 119.6398 58.9594 32.1729 177.7067 59 E 4.4400 7.8045 115.9809 55.5069 29.4557 176.6501 60 G 3.9517 7.5220 106.4227 46.8644 0.0000 174.9351 61 R 4.5248 8.6356 116.7103 55.6409 31.6254 176.6733 62 I 3.9492 8.0767 117.9355 59.6275 37.8217 175.8351 63 G 3.8494 9.1012 110.5797 46.8193 0.0000 173.7815 *69 G 3.7453 8.1464 107.1416 45.2710 0.0000 173.9263 70 G 4.1055 9.1046 110.7971 44.8855 0.0000 171.3984 71 G 4.1058 8.8580 112.9193 46.4570 0.0000 176.5673 72 R 3.9757 8.5247 120.2330 59.2363 29.8787 177.8574 73 E 3.9064 8.3260 118.5281 59.5885 29.6860 178.9429 74 V 3.5244 8.0342 117.6115 65.6290 31.7624 177.5016 75 L 3.3392 8.2375 120.0783 58.2306 41.8964 178.7021 76 D 4.3163 7.9953 118.6939 57.2558 40.6623 178.9855 77 L 3.7664 7.4238 119.4792 57.7995 41.5237 179.8462 78 V 3.8819 7.5199 112.2587 64.5267 31.3283 178.8659 79 R 3.8536 7.7694 117.4959 59.0078 29.9471 178.9954 80 K 3.8792 7.7708 118.8927 59.6793 32.2867 179.0326 81 V 3.6477 7.8569 118.2602 65.8196 31.3145 177.7956 82 A 3.9947 8.0858 120.6749 55.1341 18.2255 179.1588 83 E 3.8815 7.9952 117.6487 59.5158 29.4678 178.8661 84 E 4.0019 7.9388 117.4974 59.4131 29.6822 178.4847 85 N 4.6605 8.1435 113.7512 53.1130 38.8900 175.5713 86 G 3.8442 7.7613 108.0280 46.6087 0.0000 173.5298 87 R 4.6866 8.0633 117.6980 53.5465 33.4776 176.3279 88 S 4.5996 8.1507 114.0226 57.6317 65.6794 175.3020 89 V 3.5584 8.2255 121.7603 66.1824 31.2512 177.9399 90 N 4.3913 8.1294 115.8406 56.5071 38.4459 177.1611 91 S 4.2678 8.2854 114.5384 61.1847 62.5026 175.8045 92 E 3.9440 8.3990 122.2185 59.3366 29.4136 178.8370 93 I 3.8218 8.1193 120.0645 64.4786 37.1368 177.8071 94 Y 3.0503 8.1919 120.2467 60.5538 38.6060 178.0155 95 Q 3.7462 8.2078 118.9850 59.0625 28.8188 179.3029 96 R 3.7221 7.7454 118.9002 58.9917 30.1671 179.3022 97 V 3.1721 7.5199 118.0716 65.9353 31.4914 177.8913 98 M 3.7698 7.3008 118.4102 58.4664 31.6808 178.5980 99 E 3.8960 7.9491 118.7600 59.3779 29.7200 179.6454 100 S 4.0232 7.6755 114.0956 61.1944 62.8601 176.6907 101 F 4.6084 7.7179 121.4232 60.3031 38.6900 177.7396 102 K 3.9459 8.1559 118.1333 59.5330 31.6781 179.3823 103 K 3.9468 7.9507 117.3516 59.4783 32.1081 178.4382 104 E 4.3491 8.0217 115.1593 55.9113 29.6157 177.0381 105 G 3.8891 7.8136 107.0313 46.7247 0.0000 175.0960 106 R 4.2465 8.2115 119.2330 56.5189 30.7613 176.9312 107 I 4.0722 7.3304 116.0452 61.1116 37.4006 174.5353 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 M 8.29 4.48 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 8 P 0.00 4.47 0.00 2.27 2.26 0.00 3.85 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.21 0.00 9 Q 8.63 5.39 0.00 1.90 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.18 0.00 10 F 8.32 4.53 0.00 3.01 2.65 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 11 N 8.05 4.95 0.00 2.54 2.39 0.00 0.00 7.17 7.78 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 12 L 8.88 4.30 0.00 2.02 1.94 1.14 1.10 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 13 R 8.99 4.74 0.00 1.81 1.85 0.00 3.30 0.00 0.00 3.13 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 14 W 8.95 4.24 0.00 3.85 2.92 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 15 P 0.00 4.27 0.00 1.77 1.50 0.00 2.35 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.44 0.00 16 G 8.95 3.83 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 0.00 0.00 0.00 17 G 7.93 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 18 G 7.83 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.41 0.00 1.51 2.00 0.00 3.57 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.85 0.00 20 Q 7.97 5.00 0.00 1.75 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.71 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 21 F 8.91 4.85 0.00 3.13 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 22 N 8.98 4.80 0.00 2.73 2.76 0.00 0.00 7.11 7.78 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 23 L 8.51 4.22 0.00 0.89 0.13 0.15 0.60 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 24 R 8.44 5.14 0.00 1.75 1.93 0.00 3.41 0.00 0.00 2.25 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.46 0.00 25 W 8.01 5.01 0.00 3.36 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 26 P 0.00 4.52 0.00 2.31 2.14 0.00 3.87 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.14 0.00 27 R 8.83 4.04 0.00 1.90 2.03 0.00 3.17 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.75 0.00 28 E 8.25 4.01 0.00 2.16 2.23 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 2.42 2.34 0.00 29 V 7.81 3.68 2.51 0.00 0.00 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 0.00 0.00 1.09 0.00 0.00 30 L 8.02 4.20 0.00 1.99 1.76 0.84 1.81 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 31 D 8.37 4.38 0.00 2.85 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 32 L 7.67 3.83 0.00 1.61 1.56 0.62 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.81 3.90 2.37 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 1.00 0.00 0.00 1.39 0.00 0.00 34 R 7.97 3.88 0.00 2.07 1.95 0.00 3.18 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.81 0.00 35 K 7.90 3.90 0.00 1.83 1.91 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.43 7.81 36 V 7.87 3.61 2.19 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 1.11 0.00 0.00 1.00 0.00 0.00 37 A 8.03 4.17 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 38 E 8.22 3.84 0.00 2.17 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 2.31 2.33 0.00 39 E 7.79 3.96 0.00 2.03 2.26 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 2.33 2.37 0.00 40 N 7.92 4.70 0.00 2.91 2.85 0.00 0.00 7.07 7.01 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 41 G 8.03 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 42 R 8.01 4.72 0.00 1.78 1.84 0.00 3.37 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 43 S 8.18 4.58 0.00 4.10 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 44 V 8.27 3.62 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 0.39 0.00 0.00 0.85 0.00 0.00 45 N 8.23 4.49 0.00 3.03 2.86 0.00 0.00 6.86 7.51 0.00 0.00 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 S 8.16 4.11 0.00 3.96 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 47 E 8.67 3.98 0.00 2.19 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 2.36 2.44 0.00 48 I 7.99 3.74 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.65 1.12 0.00 0.00 49 Y 7.91 3.80 0.00 2.77 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 50 Q 8.53 3.78 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.59 0.00 0.00 0.00 0.00 0.00 2.66 2.60 0.00 51 R 7.93 3.84 0.00 1.95 1.78 0.00 2.97 0.00 0.00 2.68 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 52 V 7.85 3.54 2.22 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 1.36 0.00 0.00 1.11 0.00 0.00 53 M 8.29 3.96 0.00 1.80 1.10 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 54 E 8.57 3.93 0.00 2.04 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 2.28 2.54 0.00 55 S 7.94 3.99 0.00 3.79 4.04 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 56 F 8.08 4.26 0.00 3.30 3.09 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 57 K 8.47 4.23 0.00 1.95 1.94 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.46 7.81 58 K 7.99 4.03 0.00 1.85 1.96 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.44 7.81 59 E 7.80 4.44 0.00 2.19 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 2.26 2.44 0.00 60 G 7.52 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 61 R 8.64 4.52 0.00 1.97 1.99 0.00 3.76 0.00 0.00 3.49 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 62 I 8.08 3.95 1.92 0.00 0.00 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 1.41 0.92 0.94 0.00 0.00 63 G 9.10 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 *69 G 8.15 3.75 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 0.00 0.00 0.00 70 G 9.10 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.86 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.52 3.98 0.00 2.01 2.01 0.00 3.27 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 73 E 8.33 3.91 0.00 2.12 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 0.00 2.38 2.38 0.00 74 V 8.03 3.52 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 1.38 0.00 0.00 1.05 0.00 0.00 75 L 8.24 3.34 0.00 1.18 1.73 0.16 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.00 4.32 0.00 2.72 2.65 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 77 L 7.42 3.77 0.00 1.15 0.49 0.81 0.47 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 78 V 7.52 3.88 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 1.17 0.00 0.00 0.69 0.00 0.00 79 R 7.77 3.85 0.00 1.99 1.95 0.00 3.07 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 80 K 7.77 3.88 0.00 1.78 1.92 0.00 1.62 0.00 0.00 1.57 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.64 1.45 7.81 81 V 7.86 3.65 2.27 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 1.06 0.00 0.00 1.13 0.00 0.00 82 A 8.09 3.99 1.48 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 83 E 8.00 3.88 0.00 2.01 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 2.31 2.36 0.00 84 E 7.94 4.00 0.00 2.21 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 2.36 2.46 0.00 85 N 8.14 4.66 0.00 2.72 2.87 0.00 0.00 7.10 7.73 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 86 G 7.76 3.84 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 0.00 87 R 8.06 4.69 0.00 1.77 1.86 0.00 3.39 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 88 S 8.15 4.60 0.00 4.09 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 89 V 8.23 3.56 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 0.52 0.00 0.00 0.88 0.00 0.00 90 N 8.13 4.39 0.00 2.97 3.02 0.00 0.00 6.79 7.32 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 91 S 8.29 4.27 0.00 3.96 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 92 E 8.40 3.94 0.00 2.25 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 2.38 2.44 0.00 93 I 8.12 3.82 2.31 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 1.64 0.68 1.37 0.00 0.00 94 Y 8.19 3.05 0.00 2.76 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 95 Q 8.21 3.75 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 2.68 2.56 0.00 96 R 7.75 3.72 0.00 1.89 1.76 0.00 3.11 0.00 0.00 2.59 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.44 0.00 97 V 7.52 3.17 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 0.44 0.00 0.00 0.95 0.00 0.00 98 M 7.30 3.77 0.00 1.74 1.75 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.22 0.00 99 E 7.95 3.90 0.00 1.95 1.87 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 2.41 2.33 0.00 100 S 7.68 4.02 0.00 3.92 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 0.00 101 F 7.72 4.61 0.00 3.25 2.91 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 0.00 0.00 0.00 102 K 8.16 3.95 0.00 1.95 1.84 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.67 7.81 103 K 7.95 3.95 0.00 1.90 1.86 0.00 1.49 0.00 0.00 1.87 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.50 7.81 104 E 8.02 4.35 0.00 2.06 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 0.00 2.35 2.52 0.00 105 G 7.81 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 0.00 106 R 8.21 4.25 0.00 1.78 1.69 0.00 3.32 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 107 I 7.33 4.07 1.84 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 1.27 0.47 0.77 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.