NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3312 8.1933 115.4128 58.5201 64.7265 174.1970 *5 T 4.2225 8.1987 116.5061 63.7870 70.2924 176.5797 6 Q 3.9664 7.9998 121.2376 59.1371 28.9609 178.2252 7 S 4.1154 8.2813 116.3145 61.7909 62.9467 176.7875 8 L 3.9719 7.9034 120.9863 57.6114 41.2642 179.3845 9 R 3.8937 7.9086 118.9073 59.4591 30.0018 178.5231 10 E 3.9600 8.2495 118.4133 59.3241 29.2724 179.2786 11 V 3.6032 7.8133 117.4542 66.0873 31.5851 177.9184 12 I 3.9080 7.6746 120.7728 64.9857 37.0871 178.6672 13 K 4.1004 7.6093 122.5319 59.7320 31.6537 181.1430 14 A 4.1660 7.8129 119.9762 53.0963 18.4433 179.3540 *16 T 4.1547 8.0290 121.4449 65.0526 70.3608 175.7277 17 K 4.4971 8.0079 118.5104 53.5770 33.4228 179.0480 18 A 4.2403 8.0419 123.5746 54.2200 18.8331 178.2994 19 R 4.4356 8.2843 116.8277 56.8949 31.4447 178.1874 20 N 4.8376 7.7615 113.9431 52.5546 40.3411 174.8996 21 F 4.1310 8.9066 120.4399 61.7070 39.3033 176.6718 22 E 4.1200 8.4638 117.5775 58.1319 29.1577 179.0448 23 R 3.9362 7.9092 117.1348 59.2391 29.1817 178.6205 24 V 3.7559 7.3857 110.5475 62.3348 31.6413 176.9855 25 L 4.6637 7.6526 118.5865 54.0449 42.0994 177.9615 26 G 3.7261 7.8617 109.1514 48.1889 0.0000 174.7184 27 K 4.2876 7.8904 116.9736 56.6204 32.6452 176.9734 28 I 4.2460 7.7472 113.9318 60.6024 38.6429 175.2798 29 T 4.7182 8.6852 112.7003 59.6826 71.8570 172.7701 30 L 4.3629 8.5273 125.8862 55.5142 42.5594 175.5821 31 V 4.3434 9.0067 126.1822 64.0857 32.6719 175.6640 32 S 4.8195 7.6797 112.9873 57.0108 66.2783 172.2108 33 A 5.0394 8.4883 122.2358 50.4131 21.9612 175.0712 34 A 4.5333 8.7247 123.3395 49.9277 22.7734 173.7273 35 P 4.6065 0.0000 0.0000 64.0728 31.6031 177.1777 36 G 3.9328 9.3461 110.8154 45.7087 0.0000 172.4675 37 K 5.0099 8.0297 121.3316 55.1050 35.7433 174.8573 38 V 4.9645 9.0386 127.6356 61.1058 35.0741 174.1037 39 I 5.0068 8.7972 127.5669 59.8599 40.3063 174.4499 40 C 5.3202 9.1656 124.1054 58.0754 32.5082 172.4411 41 E 5.4268 8.9470 118.9835 53.4077 34.1186 174.4620 *43 K 4.4352 8.4349 120.4027 56.3501 33.1832 175.4835 44 V 3.8880 8.7867 128.5861 63.2098 32.5744 174.9902 45 E 5.0461 8.8083 126.2864 53.7815 33.4426 176.0329 46 E 3.8867 8.8673 119.6846 59.7089 29.3492 178.5504 47 E 4.1005 8.0228 114.1105 58.3608 29.8941 176.7397 48 H 4.7989 8.3476 116.8365 55.7606 29.5827 174.4942 49 T 4.8358 7.4519 110.4245 60.5051 70.5842 173.8002 50 N 4.9299 8.7279 119.8066 51.1856 39.7677 175.2026 51 A 3.9903 8.6271 120.0271 55.3929 18.4062 178.4663 52 I 4.1196 7.8587 106.7547 60.6991 36.8950 176.3085 53 G 3.8669 8.3737 109.1375 46.2232 0.0000 173.0918 54 T 4.9041 8.4012 109.8748 58.6113 72.4716 173.0305 55 L 4.4329 8.4275 124.2583 55.9346 42.5821 176.2627 56 H 4.1883 9.4701 127.4632 55.9394 30.5899 176.4888 57 G 3.7550 8.8223 112.2428 47.9484 0.0000 176.0610 58 G 3.7780 8.4771 107.4393 47.4868 0.0000 175.4939 59 L 4.1185 7.9278 122.1958 58.1729 42.1324 178.9435 60 T 3.9697 8.1955 115.7754 66.5309 68.3126 176.4747 61 A 4.0175 8.1990 122.7539 55.4791 18.4216 179.8531 62 T 3.9312 8.1571 114.3534 66.6904 68.5030 176.9840 63 L 3.9981 8.4909 121.3578 57.6698 41.6406 179.6059 64 V 3.5489 7.9788 118.3169 66.0966 31.5021 177.1510 65 D 4.2918 8.3018 117.8822 57.7201 40.8005 178.1924 66 N 4.3643 8.0573 115.3936 56.5915 38.7576 177.4753 67 I 3.8894 7.7377 119.7300 63.9696 37.2535 178.2496 68 S 4.3093 8.2667 114.3828 61.5101 62.4341 178.1803 69 T 4.1110 7.8491 119.0297 63.3934 68.2833 176.0960 *71 A 4.3184 8.0773 125.4193 52.2514 20.5894 179.8762 72 L 4.0911 7.5533 114.6739 57.3955 41.8805 178.6003 73 L 4.3238 7.7521 117.6792 57.1063 41.9616 176.8852 74 C 4.6614 7.6039 117.2499 60.1459 28.5507 173.0327 75 T 4.9286 7.4838 107.5863 59.2700 71.7297 173.4079 76 E 4.0630 8.8295 121.0993 59.6105 29.4315 179.0130 77 R 3.8845 8.1554 118.6552 57.5854 30.3723 177.7130 78 G 4.0953 7.9986 102.7437 45.8032 0.0000 172.9364 79 A 4.3048 7.3279 122.7492 50.5672 19.2997 176.7571 80 P 4.1795 0.0000 0.0000 64.3674 31.7516 178.0702 81 G 3.9449 8.0356 102.8781 44.8572 0.0000 171.9369 82 V 4.4548 8.1698 118.5307 60.6214 34.0695 175.1898 83 S 4.4149 8.7090 122.9989 59.1971 62.8996 173.4682 84 V 4.2500 8.5577 122.8168 64.3353 33.6649 174.4826 85 D 4.8208 7.5872 117.4502 52.8752 45.9002 173.5597 *87 N 4.7845 8.5470 115.0745 53.3641 38.9075 173.6223 88 I 4.8633 8.1625 120.6142 59.9694 41.4075 174.4347 89 T 4.4913 8.9803 123.4545 62.0736 70.6358 173.1829 90 Y 4.8532 8.5866 124.1795 56.4393 40.2457 175.3466 *92 S 4.3299 8.3244 115.3012 57.6782 64.7358 171.5533 93 P 4.5420 0.0000 0.0000 62.6064 32.4373 175.2911 94 A 4.9510 8.6323 126.1673 51.0066 21.2128 177.1092 95 K 4.6588 9.2326 126.7286 53.5246 34.0497 172.9240 96 L 4.0542 7.5737 122.9872 57.5080 42.2896 177.8804 97 G 3.9932 9.5732 115.5174 45.0951 0.0000 173.2701 98 E 4.1840 8.1435 121.8252 56.1758 31.1037 175.1688 99 D 5.1051 8.6997 126.4061 53.3388 42.5997 175.2723 100 I 4.9361 8.3788 116.6007 59.0376 41.1004 174.2579 101 V 4.6432 8.9543 124.4572 61.3269 33.9471 174.3032 102 I 4.8285 8.9675 129.1615 60.1656 39.3861 174.5894 103 T 4.9680 9.1504 125.2166 61.6650 70.6759 173.6270 104 A 5.4030 9.0914 128.8385 50.3522 22.4015 174.4551 105 H 5.3949 8.8933 116.1742 54.0393 32.6274 172.6823 106 V 4.0657 8.7846 121.6408 63.0005 31.3790 175.8723 107 L 4.2806 9.1814 128.9643 57.1417 42.4137 177.4325 108 K 4.5054 7.5794 115.7552 55.8652 35.4503 173.9731 109 Q 5.0720 8.9562 123.9197 54.5001 31.7318 174.7921 110 G 4.3310 9.4436 117.0567 45.1503 0.0000 174.1515 111 K 4.1646 8.8718 120.8822 57.3615 31.9721 174.1871 112 T 4.7681 7.7967 106.1364 60.6637 70.7232 173.4193 113 L 5.1940 7.7811 122.1046 52.9948 45.7072 175.1843 114 A 4.7969 8.5125 124.3605 50.0221 23.0148 174.7031 115 F 5.4189 9.9273 119.5552 55.9190 42.9115 174.4648 116 T 5.1365 9.3823 112.7630 59.9792 72.9186 172.5379 117 S 5.0972 8.6349 115.6663 56.6147 66.3153 172.7681 118 V 4.9301 9.3029 125.8590 61.3417 34.9485 173.4480 119 D 5.3299 9.4315 127.9461 52.6041 43.4744 175.1426 120 L 5.1723 8.8170 124.3139 53.7362 43.7172 175.8900 121 T 5.0517 8.9410 113.1220 59.6383 72.9298 172.5719 122 N 4.6898 9.0538 122.9120 53.3375 39.2271 175.3074 123 K 3.6059 8.9519 129.0869 60.0173 32.3753 178.0945 124 A 4.1203 8.7519 122.6226 55.3177 18.4423 178.6924 125 T 4.0553 8.0779 103.9146 61.9857 69.5428 176.1277 126 G 3.8774 9.2141 112.8150 45.9468 0.0000 174.3723 127 K 4.2662 7.8253 124.0638 54.5321 32.9900 181.1735 128 L 4.3600 8.5185 126.2806 55.3577 42.2465 176.0614 129 I 4.4511 9.2322 126.8108 62.0746 38.4126 175.7231 130 A 4.7641 7.5025 120.9924 50.9008 22.8359 174.4808 131 Q 4.7780 8.9939 120.4257 54.2936 32.6876 174.3121 132 G 4.4582 9.6823 115.3256 44.9987 0.0000 172.1249 133 R 5.2275 8.9495 122.7484 54.9259 32.7736 174.5744 134 H 5.2022 9.5412 123.0641 54.0018 33.3307 172.0641 135 T 4.9038 9.0358 122.3585 61.7320 70.9224 173.4760 136 K 4.9432 8.6666 125.6079 54.6794 36.4349 174.5834 137 H 4.9769 9.2962 123.6513 55.0004 31.6077 175.0614 138 L 4.3387 8.8821 125.6766 54.8059 41.5190 176.3160 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 3 S 8.19 4.33 0.00 4.02 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 *5 T 8.20 4.22 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 6 Q 8.00 3.97 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.91 0.00 0.00 0.00 0.00 0.00 2.55 2.45 0.00 7 S 8.28 4.12 0.00 3.90 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 8 L 7.90 3.97 0.00 1.73 1.72 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 9 R 7.91 3.89 0.00 2.11 2.13 0.00 3.09 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 10 E 8.25 3.96 0.00 2.24 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 0.00 2.33 2.56 0.00 11 V 7.81 3.60 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 0.83 0.00 0.00 1.01 0.00 0.00 12 I 7.67 3.91 2.00 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 1.70 0.92 0.93 0.00 0.00 13 K 7.61 4.10 0.00 1.83 1.74 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.35 7.81 14 A 7.81 4.17 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 *16 T 8.03 4.15 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 1.20 0.00 0.00 17 K 8.01 4.50 0.00 1.72 1.63 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.27 1.21 7.81 18 A 8.04 4.24 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 19 R 8.28 4.44 0.00 1.82 1.83 0.00 3.27 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.15 0.00 20 N 7.76 4.84 0.00 3.06 3.06 0.00 0.00 5.91 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 21 F 8.91 4.13 0.00 3.14 3.16 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 22 E 8.46 4.12 0.00 2.26 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 2.39 2.39 0.00 23 R 7.91 3.94 0.00 2.11 2.36 0.00 2.72 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 24 V 7.39 3.76 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 0.29 0.00 0.00 0.41 0.00 0.00 25 L 7.65 4.66 0.00 1.74 1.62 0.93 0.56 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 26 G 7.86 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 27 K 7.89 4.29 0.00 1.80 1.90 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.42 7.81 28 I 7.75 4.25 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 1.60 0.52 0.94 0.00 0.00 29 T 8.69 4.72 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 30 L 8.53 4.36 0.00 1.66 1.60 0.92 0.90 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 31 V 9.01 4.34 2.17 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 0.84 0.00 0.00 0.93 0.00 0.00 32 S 7.68 4.82 0.00 3.89 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 33 A 8.49 5.04 1.20 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 0.00 0.00 34 A 8.72 4.53 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 35 P 0.00 4.61 0.00 2.06 2.03 0.00 3.81 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 2.03 2.09 0.00 36 G 9.35 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 37 K 8.03 5.01 0.00 1.87 1.63 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.57 7.81 38 V 9.04 4.96 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 1.03 0.00 0.00 0.94 0.00 0.00 39 I 8.80 5.01 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 0.53 0.91 0.00 0.00 40 C 9.17 5.32 0.00 2.82 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 41 E 8.95 5.43 0.00 1.81 1.82 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 2.21 2.06 0.00 *43 K 8.43 4.44 0.00 1.80 1.79 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.60 7.81 44 V 8.79 3.89 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 0.93 0.00 0.00 1.00 0.00 0.00 45 E 8.81 5.05 0.00 1.91 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 2.39 0.00 46 E 8.87 3.89 0.00 1.97 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 0.00 2.37 2.32 0.00 47 E 8.02 4.10 0.00 2.03 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 0.00 2.04 1.84 0.00 48 H 8.35 4.80 0.00 3.31 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.45 4.84 4.22 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 0.00 0.00 0.00 1.32 0.00 0.00 50 N 8.73 4.93 0.00 2.86 2.93 0.00 0.00 7.27 7.58 0.00 0.00 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 A 8.63 3.99 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 52 I 7.86 4.12 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.76 0.89 0.00 0.00 53 G 8.37 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 54 T 8.40 4.90 4.35 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 1.21 0.00 0.00 55 L 8.43 4.43 0.00 1.70 1.69 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 56 H 9.47 4.19 0.00 3.33 3.18 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 57 G 8.82 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 58 G 8.48 3.78 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 59 L 7.93 4.12 0.00 1.82 1.91 0.90 0.91 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 60 T 8.20 3.97 4.71 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 1.24 0.00 0.00 61 A 8.20 4.02 1.46 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 62 T 8.16 3.93 4.49 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 1.36 0.00 0.00 63 L 8.49 4.00 0.00 1.84 1.72 0.92 0.80 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 64 V 7.98 3.55 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 0.94 0.00 0.00 0.95 0.00 0.00 65 D 8.30 4.29 0.00 2.83 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 66 N 8.06 4.36 0.00 2.91 2.88 0.00 0.00 7.20 6.75 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 67 I 7.74 3.89 1.96 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 1.41 0.63 0.92 0.00 0.00 68 S 8.27 4.31 0.00 3.95 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 0.00 69 T 7.85 4.11 4.45 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 1.22 0.00 0.00 *71 A 8.08 4.32 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 72 L 7.55 4.09 0.00 1.74 1.85 0.91 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.75 4.32 0.00 1.67 1.73 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 74 C 7.60 4.66 0.00 3.12 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 75 T 7.48 4.93 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 1.27 0.00 0.00 76 E 8.83 4.06 0.00 1.98 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 0.00 2.32 2.31 0.00 77 R 8.16 3.88 0.00 1.83 1.90 0.00 3.28 0.00 0.00 3.32 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 78 G 8.00 4.10 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 0.00 0.00 0.00 79 A 7.33 4.30 1.20 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 0.00 0.00 80 P 0.00 4.18 0.00 2.18 2.18 0.00 3.80 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 1.97 1.95 0.00 81 G 8.04 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 82 V 8.17 4.45 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 0.96 0.00 0.00 0.93 0.00 0.00 83 S 8.71 4.41 0.00 3.82 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 84 V 8.56 4.25 2.17 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 0.77 0.00 0.00 0.97 0.00 0.00 85 D 7.59 4.82 0.00 2.62 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.55 4.78 0.00 2.86 3.00 0.00 0.00 5.70 7.64 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 88 I 8.16 4.86 1.71 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 1.21 0.59 0.08 0.00 0.00 89 T 8.98 4.49 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 1.20 0.00 0.00 90 Y 8.59 4.85 0.00 2.84 2.88 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 *92 S 8.32 4.33 0.00 3.94 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 93 P 0.00 4.54 0.00 1.97 2.03 0.00 3.66 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 2.03 2.10 0.00 94 A 8.63 4.95 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 95 K 9.23 4.66 0.00 1.44 1.69 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.33 1.25 7.81 96 L 7.57 4.05 0.00 1.77 1.62 0.96 1.10 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 97 G 9.57 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 98 E 8.14 4.18 0.00 2.14 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 2.31 2.30 0.00 99 D 8.70 5.11 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.38 4.94 1.88 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 0.85 0.92 0.00 0.00 101 V 8.95 4.64 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 1.02 0.00 0.00 0.97 0.00 0.00 102 I 8.97 4.83 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 1.23 0.53 0.92 0.00 0.00 103 T 9.15 4.97 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 1.21 0.00 0.00 104 A 9.09 5.40 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 105 H 8.89 5.39 0.00 3.35 3.33 0.00 5.46 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 8.78 4.07 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 0.85 0.00 0.00 0.97 0.00 0.00 107 L 9.18 4.28 0.00 1.69 1.69 0.92 0.77 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 0.00 108 K 7.58 4.51 0.00 1.84 1.60 0.00 1.61 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.65 7.81 109 Q 8.96 5.07 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.49 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 110 G 9.44 4.33 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 0.00 0.00 0.00 111 K 8.87 4.16 0.00 1.79 1.74 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.00 7.81 112 T 7.80 4.77 4.07 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 0.00 0.00 0.00 1.17 0.00 0.00 113 L 7.78 5.19 0.00 1.56 1.27 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.51 4.80 1.08 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 0.00 115 F 9.93 5.42 0.00 2.84 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 0.00 116 T 9.38 5.14 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 1.21 0.00 0.00 117 S 8.63 5.10 0.00 3.87 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.30 4.93 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 0.95 0.00 0.00 119 D 9.43 5.33 0.00 2.56 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 0.00 120 L 8.82 5.17 0.00 1.59 1.58 0.95 0.69 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 0.00 121 T 8.94 5.05 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 0.00 122 N 9.05 4.69 0.00 2.86 2.75 0.00 0.00 7.00 7.14 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 0.00 123 K 8.95 3.61 0.00 1.80 1.90 0.00 2.00 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.42 7.81 124 A 8.75 4.12 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 0.00 125 T 8.08 4.06 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 0.00 126 G 9.21 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 0.00 127 K 7.83 4.27 0.00 1.48 1.70 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.37 1.26 7.81 128 L 8.52 4.36 0.00 1.63 1.60 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 129 I 9.23 4.45 2.03 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 1.13 1.58 1.01 0.00 0.00 130 A 7.50 4.76 1.08 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 0.00 131 Q 8.99 4.78 0.00 2.05 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.21 2.45 0.00 132 G 9.68 4.46 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 0.00 133 R 8.95 5.23 0.00 1.56 1.67 0.00 3.21 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.40 0.00 134 H 9.54 5.20 0.00 3.14 3.12 0.00 5.70 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 9.04 4.90 4.26 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 1.05 0.00 0.00 136 K 8.67 4.94 0.00 1.43 1.59 0.00 1.39 0.00 0.00 1.43 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.94 0.97 7.81 137 H 9.30 4.98 0.00 3.15 3.12 0.00 5.72 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 8.88 4.34 0.00 1.29 1.43 0.85 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.