NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.1876 8.1749 110.9315 61.4364 70.0680 173.1559 6 V 4.1705 7.7116 117.7412 59.0914 35.3786 172.8497 7 W 4.7096 9.1093 125.1669 54.9679 31.0939 175.4979 8 G 4.1213 8.5839 111.9498 43.2575 0.0000 171.8902 9 A 4.1417 8.5958 127.5175 51.1724 19.2752 176.9112 10 L 3.8867 8.4989 124.7640 56.5149 42.7478 177.9396 11 G 4.1779 8.7996 114.5285 46.4218 0.0000 174.0816 12 H 4.6296 8.1768 115.6655 54.4045 29.7827 175.1294 13 G 3.9058 8.2611 110.4347 45.5996 0.0000 172.6611 14 I 4.2744 7.5254 116.5457 59.9692 40.5154 173.0066 15 N 4.7603 8.5464 122.9230 51.2633 40.6212 174.2193 16 L 4.2795 8.0658 123.9410 53.6208 41.9119 176.5328 17 N 4.6372 8.6147 121.7394 52.9642 39.2939 175.2016 18 I 4.0970 8.3326 122.8309 59.4650 37.2315 173.8818 19 P 4.0763 0.0000 0.0000 63.8460 31.2927 175.8390 20 N 4.1282 8.9083 118.2656 54.1255 36.5237 172.2328 21 F 4.9820 7.8354 120.2513 56.2215 43.0053 173.6724 22 Q 3.9829 6.9073 123.7490 53.9634 31.6242 174.8132 23 M 3.8383 8.3902 123.4949 55.7025 31.8298 175.7308 24 T 4.6150 7.9005 113.4712 59.3058 71.7517 174.9632 25 D 4.4811 8.5030 121.0505 57.0457 40.9179 177.4495 26 D 4.5173 8.0852 116.0101 53.9387 39.5803 175.9617 27 I 4.3135 7.3236 121.7449 60.5460 37.4549 174.7078 28 D 4.6502 8.8156 126.0689 55.9798 42.4460 175.5810 29 E 5.2655 8.1796 117.0022 54.2261 32.9281 175.0107 30 V 4.2997 9.0781 125.6556 61.1702 34.5769 174.0870 31 R 4.9964 8.5394 128.6661 54.5159 32.0405 174.4348 32 W 4.6905 9.3688 127.7394 55.4252 31.1060 175.6544 33 E 5.0803 8.7701 123.0343 54.8368 32.7717 175.0496 34 R 4.3167 8.7871 125.3020 55.2727 30.6748 175.8472 35 G 4.0828 8.4241 118.0466 46.6276 0.0000 174.5095 36 S 4.2575 8.7155 115.8582 60.8825 63.6665 175.4715 37 T 3.8766 7.5188 118.0338 63.3019 68.6307 172.9056 38 L 4.4881 8.3772 127.9599 54.4155 42.6451 175.5500 39 V 4.1709 8.4975 126.3375 64.4026 32.1599 175.5209 40 A 4.9801 7.9555 121.2719 50.1415 22.6432 173.8806 41 E 5.1341 8.7323 120.5712 54.8613 32.9249 174.0449 42 F 5.0836 9.5423 128.9231 56.5244 43.1376 173.7131 43 K 4.5742 6.9854 123.3056 56.6957 34.3484 174.7653 44 R 4.0038 8.5689 128.3765 58.6463 30.1963 176.9877 45 K 3.8605 9.0327 118.4492 55.9852 32.7643 175.0553 *48 P 4.3423 0.0000 0.0000 62.4155 32.3333 175.4555 49 F 4.5154 8.5924 121.3880 57.3536 40.0135 174.8495 50 L 4.3721 7.3363 126.9704 52.2526 44.6390 176.1859 51 K 3.7071 8.3328 125.1869 59.3815 32.3897 175.9583 52 S 4.5776 7.7721 110.6991 57.1445 65.3158 175.3354 53 G 3.6244 8.5686 108.8605 47.8062 0.0000 174.7303 54 A 3.9351 7.7320 122.2976 53.9723 19.2011 177.4919 55 F 5.2997 7.5936 113.0207 56.3363 41.9905 175.6012 56 E 4.5675 8.4643 119.2849 55.5531 33.4031 173.8313 57 I 4.4983 8.4695 128.2495 60.3369 39.2129 175.5420 58 L 4.4057 8.9986 129.8384 53.4801 42.7391 177.5459 59 A 4.1834 8.4718 122.1893 54.1761 18.3693 178.0059 60 N 4.7823 8.3047 111.7660 52.2756 37.6220 175.8633 61 G 4.0004 8.0751 108.2967 45.5918 0.0000 174.2076 62 D 4.5635 7.7800 119.2488 54.3711 42.2325 174.7574 63 L 4.9888 8.3339 122.9483 53.3497 44.0545 175.4876 64 K 4.4643 9.0651 127.4798 54.7197 34.5292 174.5950 65 I 4.1449 8.2222 129.0514 60.4210 37.5628 175.7792 66 K 4.0180 9.4027 130.5991 58.7125 31.9487 176.1774 67 N 4.9665 7.6114 115.7756 50.9313 41.4089 174.7891 68 L 4.2812 8.2894 122.5147 55.3562 42.8946 176.3569 69 T 4.6986 7.9061 115.0328 62.2517 72.4293 175.4092 70 R 4.0125 8.6748 123.5608 59.5616 30.7763 178.1947 71 D 4.5072 8.1795 117.4664 57.4735 40.9513 177.7088 72 D 4.7355 7.8337 115.7808 55.5779 40.6643 176.5773 73 S 4.6118 7.6069 114.6357 57.5454 64.4161 171.7375 74 G 3.6594 8.2893 105.5326 44.3705 0.0000 172.2829 75 T 5.0838 8.1687 115.3842 62.7634 69.6178 174.4927 76 Y 4.5995 9.1778 123.6947 56.2720 41.4407 174.5940 77 N 5.3701 8.6252 118.2372 51.6544 41.7696 174.0137 78 V 4.1860 8.5627 124.8781 62.2233 33.3359 175.0366 79 T 4.8729 8.3434 123.4222 62.1058 70.4111 173.3082 80 V 4.4067 8.0936 126.0343 61.3822 34.4479 174.3010 81 Y 5.0833 8.2070 122.1123 56.0684 41.5873 175.7360 82 S 4.4545 8.9786 119.6326 57.7867 64.0284 174.9772 83 T 3.8199 8.5565 115.7229 65.0378 66.9493 174.5149 84 N 4.5183 8.0035 116.7577 52.9037 37.9913 175.2518 85 G 4.0023 8.0161 105.6610 45.6788 0.0000 174.5512 86 T 4.0322 7.9582 118.5647 63.7356 68.9950 174.4310 87 R 4.2149 8.3928 127.6569 55.1912 28.4775 173.9421 88 I 3.8593 7.5369 112.5624 60.2584 39.1731 172.8544 89 L 3.7080 9.3507 133.9590 54.5581 43.0256 172.7697 90 D 4.6057 8.2272 124.1427 53.5576 42.4658 173.9124 91 K 4.8003 9.1067 123.8762 54.0247 35.9681 174.5588 92 A 5.3650 8.4380 122.1111 50.2792 22.0071 175.5497 93 L 4.7638 8.9858 120.2837 53.1437 45.8951 175.7955 94 D 5.1193 8.7178 123.0483 52.4712 41.5610 174.9478 95 L 4.2187 9.0694 126.4647 54.9293 43.1002 175.5278 96 R 5.1152 8.5019 125.5962 54.0947 32.9127 175.7589 97 I 3.9601 8.3830 117.4888 60.2082 38.6460 175.1803 98 L 4.2302 8.3818 126.3647 54.5716 42.8457 176.2089 99 E 4.2627 8.6880 124.0362 56.5592 29.6459 175.7967 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 5 T 8.17 4.19 4.06 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 1.10 0.00 0.00 6 V 7.71 4.17 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 0.73 0.00 0.00 0.85 0.00 0.00 7 W 9.11 4.71 0.00 3.28 3.18 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 0.00 8 G 8.58 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 0.00 0.00 0.00 0.00 9 A 8.60 4.14 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 10 L 8.50 3.89 0.00 1.69 1.59 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.80 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 0.00 0.00 0.00 0.00 12 H 8.18 4.63 0.00 3.20 3.25 0.00 5.85 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 13 G 8.26 3.91 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 0.00 0.00 0.00 14 I 7.53 4.27 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 1.37 0.60 0.85 0.00 0.00 15 N 8.55 4.76 0.00 2.68 2.64 0.00 0.00 6.98 7.85 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 16 L 8.07 4.28 0.00 0.77 1.56 0.63 0.96 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 17 N 8.61 4.64 0.00 2.80 2.84 0.00 0.00 7.18 7.45 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 18 I 8.33 4.10 1.99 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.72 0.51 0.00 0.00 19 P 0.00 4.08 0.00 2.03 2.07 0.00 3.77 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 20 N 8.91 4.13 0.00 2.79 2.81 0.00 0.00 6.94 7.02 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 21 F 7.84 4.98 0.00 2.91 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 22 Q 6.91 3.98 0.00 1.73 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 23 M 8.39 3.84 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.80 0.00 24 T 7.90 4.61 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 1.14 0.00 0.00 25 D 8.50 4.48 0.00 2.71 2.80 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 26 D 8.09 4.52 0.00 2.79 2.80 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 27 I 7.32 4.31 2.22 0.00 0.00 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 1.32 1.01 1.23 0.00 0.00 28 D 8.82 4.65 0.00 2.83 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 29 E 8.18 5.27 0.00 1.93 1.76 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 2.17 2.59 0.00 30 V 9.08 4.30 2.33 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 0.66 0.00 0.00 1.05 0.00 0.00 31 R 8.54 5.00 0.00 2.03 1.70 0.00 3.31 0.00 0.00 3.36 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 32 W 9.37 4.69 0.00 3.42 3.08 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 33 E 8.77 5.08 0.00 1.79 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 2.22 2.30 0.00 34 R 8.79 4.32 0.00 1.82 1.84 0.00 3.20 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 35 G 8.42 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 36 S 8.72 4.26 0.00 3.98 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 37 T 7.52 3.88 4.47 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 1.21 0.00 0.00 38 L 8.38 4.49 0.00 1.59 1.58 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.50 4.17 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 0.76 0.00 0.00 0.95 0.00 0.00 40 A 7.96 4.98 1.32 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 0.00 0.00 0.00 41 E 8.73 5.13 0.00 1.95 1.81 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 2.17 2.37 0.00 42 F 9.54 5.08 0.00 3.16 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 43 K 6.99 4.57 0.00 1.59 1.44 0.00 1.82 0.00 0.00 2.33 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.33 7.81 44 R 8.57 4.00 0.00 1.82 1.90 0.00 3.37 0.00 0.00 3.36 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.84 0.00 45 K 9.03 3.86 0.00 1.85 1.73 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.53 7.81 *48 P 0.00 4.34 0.00 2.22 2.11 0.00 3.40 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.93 0.00 49 F 8.59 4.52 0.00 2.99 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 50 L 7.34 4.37 0.00 1.45 1.44 0.95 0.91 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 51 K 8.33 3.71 0.00 1.57 1.83 0.00 1.84 0.00 0.00 1.97 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.54 7.81 52 S 7.77 4.58 0.00 4.01 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 53 G 8.57 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 54 A 7.73 3.94 0.74 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 0.00 0.00 55 F 7.59 5.30 0.00 2.92 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 56 E 8.46 4.57 0.00 1.99 1.76 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 2.20 2.23 0.00 57 I 8.47 4.50 1.88 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 1.36 0.84 0.92 0.00 0.00 58 L 9.00 4.41 0.00 1.83 1.63 0.97 0.84 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 59 A 8.47 4.18 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 60 N 8.30 4.78 0.00 2.82 2.89 0.00 0.00 6.25 7.00 0.00 0.00 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 G 8.08 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 0.00 0.00 0.00 62 D 7.78 4.56 0.00 2.69 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.33 4.99 0.00 1.61 1.49 0.98 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 64 K 9.07 4.46 0.00 1.81 1.76 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.35 7.81 65 I 8.22 4.14 1.81 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.67 0.77 0.00 0.00 66 K 9.40 4.02 0.00 1.75 1.71 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.42 7.81 67 N 7.61 4.97 0.00 2.64 2.63 0.00 0.00 6.92 7.85 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 68 L 8.29 4.28 0.00 1.61 1.59 0.91 0.81 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 69 T 7.91 4.70 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 1.25 0.00 0.00 70 R 8.67 4.01 0.00 1.79 2.02 0.00 3.26 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 71 D 8.18 4.51 0.00 2.81 2.75 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 72 D 7.83 4.74 0.00 2.95 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 73 S 7.61 4.61 0.00 4.19 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 74 G 8.29 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.17 5.08 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 1.31 0.00 0.00 76 Y 9.18 4.60 0.00 2.95 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 77 N 8.63 5.37 0.00 2.54 2.72 0.00 0.00 6.86 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 78 V 8.56 4.19 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 0.95 0.00 0.00 0.95 0.00 0.00 79 T 8.34 4.87 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 0.92 0.00 0.00 80 V 8.09 4.41 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 0.95 0.00 0.00 0.89 0.00 0.00 81 Y 8.21 5.08 0.00 2.97 2.78 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 82 S 8.98 4.45 0.00 4.02 4.03 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 83 T 8.56 3.82 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 1.23 0.00 0.00 84 N 8.00 4.52 0.00 2.88 2.94 0.00 0.00 6.18 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.02 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 0.00 0.00 0.00 86 T 7.96 4.03 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 87 R 8.39 4.21 0.00 1.95 1.87 0.00 3.17 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.15 0.00 88 I 7.54 3.86 1.84 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 1.14 0.65 0.90 0.00 0.00 89 L 9.35 3.71 0.00 1.82 1.62 0.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.23 4.61 0.00 2.57 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 91 K 9.11 4.80 0.00 1.76 1.67 0.00 1.52 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.34 1.40 7.81 92 A 8.44 5.36 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 93 L 8.99 4.76 0.00 1.70 1.57 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.72 5.12 0.00 2.55 2.66 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 0.00 0.00 0.00 0.00 95 L 9.07 4.22 0.00 2.06 1.77 0.83 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 96 R 8.50 5.12 0.00 1.71 1.81 0.00 3.44 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.54 0.00 97 I 8.38 3.96 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 1.32 0.42 0.93 0.00 0.00 98 L 8.38 4.23 0.00 1.61 1.60 0.92 0.94 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 99 E 8.69 4.26 0.00 1.99 1.83 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 2.24 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.