NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.2838 8.1400 114.7880 57.7517 64.7394 173.8791 2 L 3.9294 8.8361 123.2843 57.8255 41.7440 177.5770 3 L 3.9947 8.3520 121.4200 58.3969 42.3420 178.5581 4 E 4.1180 8.2443 118.3978 59.1882 29.3960 178.8444 5 F 4.7285 8.5186 120.4662 61.5530 39.4375 177.2475 6 G 3.5614 8.1910 105.0181 47.6947 0.0000 175.4965 7 K 4.0069 7.7533 121.3807 59.3421 32.2321 178.4400 8 M 4.2383 8.4990 120.1664 58.2483 32.0793 177.9053 9 I 3.6174 8.0497 120.2003 64.3578 37.2821 177.7154 10 L 4.7113 8.2632 122.4555 57.8963 41.6933 179.0524 11 E 3.9899 8.0927 116.6443 59.3868 29.4641 178.8676 12 E 4.1103 8.2036 118.4855 59.0147 29.9619 178.0818 13 T 4.4677 8.6406 107.1222 60.7745 70.3385 175.6342 14 G 3.7724 8.5117 110.4115 46.0166 0.0000 173.2924 *16 K 4.6461 7.3803 117.6596 56.1874 33.4733 174.4209 17 L 4.6546 8.0093 120.1307 53.3757 42.9002 177.1451 18 A 4.0105 8.5987 127.2478 55.1194 18.4947 176.5736 19 I 4.6075 7.6111 114.6922 59.3918 38.6196 174.0202 20 P 5.2612 0.0000 0.0000 61.9344 31.5668 176.4652 21 S 4.2338 7.9712 117.4412 61.4849 62.6524 174.5893 22 Y 4.8949 8.3947 114.3823 57.2702 39.6977 176.5445 23 S 4.5710 8.1872 115.4198 60.5228 63.3631 175.0373 24 S 5.1022 7.8152 116.9018 57.6241 63.0829 172.7957 25 Y 4.6754 8.0859 121.2001 58.4689 40.4769 175.9529 26 G 3.6655 7.1591 113.0213 47.4167 0.0000 172.9120 27 C 4.7505 9.1454 114.8109 57.5765 39.6384 174.2320 28 Y 4.5333 8.5712 115.5421 57.4712 39.7450 174.4767 29 C 4.8238 8.3967 118.4422 59.7342 39.8778 173.0302 30 G 4.6095 10.0570 113.1235 46.5891 0.0000 173.4337 31 W 4.8586 7.9238 114.4657 55.0091 32.6283 175.8192 32 G 4.0279 7.8519 104.2580 44.7688 0.0000 169.5571 33 G 3.6168 7.1005 109.0952 44.3843 0.0000 174.8334 34 K 4.5878 6.9052 120.0663 54.3437 36.7882 176.0361 35 G 4.3506 9.2824 107.4422 45.0296 0.0000 172.1407 36 T 4.4305 8.0342 114.8353 60.7034 69.9757 172.9123 37 P 4.5485 0.0000 0.0000 62.8702 31.7239 176.5882 38 K 3.8577 9.1715 124.2319 59.2205 32.1732 176.1330 39 D 4.4434 7.3836 115.5510 51.1049 42.0061 175.1477 40 A 3.9720 8.8357 119.8997 56.1406 17.9313 179.8286 41 T 3.8832 7.8715 113.4368 66.8858 68.4311 176.2295 42 D 4.4857 8.1777 119.5154 57.3805 41.2116 178.4111 43 R 3.9055 8.6080 119.2575 59.3757 29.9465 178.2030 44 C 4.1743 8.4119 116.4950 60.3863 35.4866 175.6867 45 C 4.3364 8.0995 117.8371 59.8486 40.5878 175.7415 46 F 3.7227 8.3836 122.4440 61.2417 38.8846 177.3023 47 V 3.2832 7.8943 117.6406 66.2413 31.3503 177.2399 48 H 3.8340 8.3090 118.2068 59.3972 29.4855 176.8484 49 D 4.1189 8.5047 120.7674 57.4445 40.4178 178.0695 50 C 4.0588 7.4596 115.8523 59.9434 40.0311 174.9440 51 C 4.2300 8.4457 120.2189 60.1874 44.4277 175.1386 52 Y 4.1798 7.9468 118.2031 61.3176 37.1871 179.1407 53 G 3.7020 7.9800 105.7586 47.7662 0.0000 174.6592 54 N 4.6798 8.0902 115.6412 53.4015 39.7415 175.2461 55 L 4.8343 7.5815 119.4918 52.3038 42.2248 174.6081 56 P 4.2001 0.0000 0.0000 66.0827 31.9289 178.3234 *59 D 4.7502 7.7841 116.3579 54.1198 42.4601 175.5458 *61 C 5.3231 7.7269 115.6921 57.3475 38.0381 173.1243 *67 N 4.8923 7.9438 115.3721 52.6352 38.5319 173.3410 68 P 3.9588 0.0000 0.0000 65.2650 32.1236 179.1636 69 K 4.0660 8.1146 117.2369 58.5705 32.1406 178.5237 70 S 4.7769 7.7740 110.5057 58.2224 64.9474 173.6447 71 D 4.4296 8.4331 121.9595 53.8625 41.1731 175.7601 72 R 4.3655 8.3834 125.9936 55.5701 31.2195 174.9819 73 Y 5.0107 7.5100 117.6783 55.1715 41.5406 174.2680 74 K 4.9420 8.6592 118.8273 54.8919 35.0785 175.0597 75 Y 5.5287 8.2132 120.8751 55.5762 41.8235 173.5622 76 K 4.7573 9.4847 119.4119 55.3578 36.9561 174.8767 77 R 5.5280 8.3493 119.2156 54.1273 31.2968 176.4419 78 V 3.7051 8.8814 124.7076 65.5577 31.6160 175.1915 79 N 4.8934 7.8349 113.1181 53.6434 41.0949 175.5134 80 G 4.0217 7.8656 105.5038 45.2331 0.0000 172.9441 81 A 4.2843 7.8014 122.1573 51.8501 19.9547 176.3208 82 I 4.6889 8.2243 121.8445 60.1663 38.7027 175.4492 83 V 4.3905 9.4116 127.6197 61.0998 34.2441 173.7689 84 C 4.9030 8.8606 126.0358 56.8682 40.7201 173.4724 85 E 4.5179 9.1490 124.1422 55.1407 30.5547 176.7146 86 K 4.0464 8.5800 123.7770 56.7100 33.6894 175.8490 *88 G 4.2452 8.2452 113.5725 45.3701 0.0000 173.1870 89 T 4.2233 9.0195 115.4231 60.9968 70.9832 175.9324 90 S 4.0690 8.4551 116.7575 61.8184 62.9377 177.1374 91 C 4.1751 8.1154 119.7834 59.8051 36.7725 175.5686 92 E 3.9554 8.3043 120.0781 59.8551 29.0651 179.4713 93 N 4.2860 8.2529 116.2689 56.3265 38.3468 177.7280 94 R 3.9946 8.1569 119.1899 58.5456 30.1276 179.2495 95 I 3.6244 7.9509 120.6135 64.2920 37.1433 177.3286 96 C 3.1497 7.5609 119.2135 59.5135 37.5234 175.4646 97 E 3.7917 7.8684 119.9106 59.5082 28.9498 178.9086 98 C 4.2445 7.6813 116.3137 60.1378 40.6839 175.8784 99 D 4.0115 8.0216 120.5265 56.9319 40.3597 178.6767 100 K 3.7989 8.3754 120.4780 59.2873 32.0785 178.6151 101 A 3.8444 7.7426 120.2472 55.2340 18.2841 179.4264 102 A 3.4564 7.6645 118.4832 54.9541 18.2747 179.6851 103 A 3.7321 7.9021 119.1069 55.3181 18.4617 179.5946 104 I 3.5768 7.5523 118.0863 64.7636 37.0193 177.5547 105 C 4.1000 7.9480 117.8024 59.8377 44.0218 175.3049 106 F 4.5866 8.0318 119.4489 60.8532 38.2906 177.5885 107 R 3.9789 8.2483 117.2299 59.4671 29.9383 177.6433 108 Q 4.2993 8.2163 117.1538 57.2867 29.3228 175.6983 109 N 5.1114 8.0514 115.2528 53.3532 40.6211 176.0255 110 L 4.1171 8.2017 121.5523 57.8169 41.7964 179.0786 111 N 4.5248 8.2957 114.8529 54.9440 37.3274 175.4706 112 T 4.5762 7.9584 107.4872 60.9733 69.4429 173.4766 113 Y 4.0705 7.7863 123.3201 58.4020 39.4594 175.3815 114 S 4.8194 8.8355 121.0344 56.2308 64.8921 174.9404 115 K 4.2070 8.7790 127.1267 58.7436 32.0747 178.4971 116 K 4.0611 7.3949 115.9138 58.0852 32.8238 176.9668 117 Y 4.3555 7.2326 116.8559 57.8875 38.5097 175.4012 118 M 4.2912 7.5013 120.8146 56.1861 32.5164 175.9503 119 L 3.6719 8.3813 121.3176 55.4677 40.0441 174.4240 120 Y 4.2225 7.3922 118.9634 57.1669 39.3886 174.0447 121 P 4.3541 0.0000 0.0000 62.2542 32.6783 176.0571 122 D 4.2305 9.0327 122.8588 57.3262 40.9924 178.4400 *124 F 4.8067 7.8272 110.4472 56.5357 39.5858 175.0241 125 L 3.8940 7.0368 120.5598 54.6343 41.0474 176.4860 126 C 4.9274 7.8894 117.7554 54.7183 39.9649 172.9204 127 K 4.6396 8.4045 122.9185 55.3483 34.5924 176.7072 128 G 4.2487 8.8526 108.7022 46.1802 0.0000 172.5165 129 E 4.8152 8.3029 121.0253 54.7939 31.1367 175.5723 130 L 4.7367 8.2473 122.2913 53.2362 44.7773 176.2231 131 K 4.3201 8.4859 124.8506 56.0816 33.3483 177.7000 *133 C 4.8135 8.4945 117.3354 57.5206 41.5304 173.9146 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 S 8.14 5.28 0.00 4.21 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 2 L 8.84 3.93 0.00 2.05 1.85 1.19 0.49 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 3 L 8.35 3.99 0.00 1.58 1.66 0.88 0.97 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 4 E 8.24 4.12 0.00 1.86 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 1.91 2.25 0.00 5 F 8.52 4.73 0.00 3.31 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.19 3.56 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 0.00 0.00 0.00 7 K 7.75 4.01 0.00 2.01 2.12 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.51 7.81 8 M 8.50 4.24 0.00 2.37 2.24 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 9 I 8.05 3.62 2.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.28 0.91 0.00 0.00 10 L 8.26 4.71 0.00 1.73 1.89 0.98 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.09 3.99 0.00 2.06 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 2.41 2.73 0.00 12 E 8.20 4.11 0.00 2.18 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 2.36 2.38 0.00 13 T 8.64 4.47 4.31 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 1.31 0.00 0.00 14 G 8.51 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.38 4.65 0.00 1.83 1.56 0.00 1.46 0.00 0.00 0.96 0.00 0.00 2.52 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.26 7.81 17 L 8.01 4.65 0.00 1.72 1.71 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.60 4.01 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 19 I 7.61 4.61 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 1.56 0.72 0.96 0.00 0.00 20 P 0.00 5.26 0.00 2.18 2.13 0.00 3.36 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 21 S 7.97 4.23 0.00 3.85 3.28 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 0.00 22 Y 8.39 4.89 0.00 2.80 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 23 S 8.19 4.57 0.00 4.13 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 0.00 24 S 7.82 5.10 0.00 4.00 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 25 Y 8.09 4.68 0.00 3.18 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 26 G 7.16 3.67 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 0.00 0.00 0.00 27 C 9.15 4.75 0.00 3.17 3.15 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 28 Y 8.57 4.53 0.00 3.22 3.13 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 0.00 0.00 0.00 0.00 29 C 8.40 4.82 0.00 3.47 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 30 G 10.06 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 W 7.92 4.86 0.00 3.24 3.31 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 32 G 7.85 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 0.00 0.00 0.00 33 G 7.10 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 34 K 6.91 4.59 0.00 1.69 1.73 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.45 7.81 35 G 9.28 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 0.00 0.00 0.00 0.00 36 T 8.03 4.43 4.23 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 1.14 0.00 0.00 37 P 0.00 4.55 0.00 1.87 1.94 0.00 3.40 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.57 0.00 38 K 9.17 3.86 0.00 0.79 0.93 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.23 0.62 7.81 39 D 7.38 4.44 0.00 2.74 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 40 A 8.84 3.97 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 41 T 7.87 3.88 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 0.59 0.00 0.00 42 D 8.18 4.49 0.00 3.05 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 43 R 8.61 3.91 0.00 2.04 1.96 0.00 3.15 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.77 0.00 44 C 8.41 4.17 0.00 3.28 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 45 C 8.10 4.34 0.00 3.32 3.47 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 46 F 8.38 3.72 0.00 2.48 3.02 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 V 7.89 3.28 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 0.84 0.00 0.00 1.01 0.00 0.00 48 H 8.31 3.83 0.00 3.11 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.50 4.12 0.00 2.79 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 50 C 7.46 4.06 0.00 2.89 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 51 C 8.45 4.23 0.00 2.90 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 52 Y 7.95 4.18 0.00 3.06 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 53 G 7.98 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 54 N 8.09 4.68 0.00 2.77 2.83 0.00 0.00 6.81 8.27 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 55 L 7.58 4.83 0.00 1.57 1.49 0.82 0.82 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 56 P 0.00 4.20 0.00 2.19 2.30 0.00 3.77 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 2.09 1.98 0.00 *59 D 7.78 4.75 0.00 2.76 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 *61 C 7.73 5.32 0.00 3.03 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 *67 N 7.94 4.89 0.00 2.73 2.77 0.00 0.00 7.60 8.03 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 68 P 0.00 3.96 0.00 1.38 0.49 0.00 3.38 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 69 K 8.11 4.07 0.00 1.82 1.90 0.00 1.61 0.00 0.00 1.89 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.62 1.47 7.81 70 S 7.77 4.78 0.00 3.93 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 71 D 8.43 4.43 0.00 2.64 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 72 R 8.38 4.37 0.00 1.81 1.84 0.00 3.17 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 73 Y 7.51 5.01 0.00 3.00 2.94 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 74 K 8.66 4.94 0.00 1.72 1.99 0.00 1.64 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.36 7.81 75 Y 8.21 5.53 0.00 3.25 3.17 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 76 K 9.48 4.76 0.00 1.80 1.92 0.00 1.29 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.44 7.81 77 R 8.35 5.53 0.00 1.75 2.02 0.00 3.43 0.00 0.00 3.90 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.52 0.00 78 V 8.88 3.71 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 0.81 0.00 0.00 0.95 0.00 0.00 79 N 7.83 4.89 0.00 2.71 2.73 0.00 0.00 6.63 7.65 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 80 G 7.87 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 81 A 7.80 4.28 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 82 I 8.22 4.69 1.81 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 1.10 0.49 0.70 0.00 0.00 83 V 9.41 4.39 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 1.10 0.00 0.00 0.96 0.00 0.00 84 C 8.86 4.90 0.00 2.85 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 85 E 9.15 4.52 0.00 2.06 1.91 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 2.37 2.33 0.00 86 K 8.58 4.05 0.00 1.79 1.69 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.44 7.81 *88 G 8.25 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 0.00 0.00 0.00 89 T 9.02 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 1.29 0.00 0.00 90 S 8.46 4.07 0.00 4.04 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 91 C 8.12 4.18 0.00 2.96 3.13 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 0.00 0.00 0.00 0.00 92 E 8.30 3.96 0.00 2.27 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 2.62 2.67 0.00 93 N 8.25 4.29 0.00 2.79 2.81 0.00 0.00 7.06 7.19 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 94 R 8.16 3.99 0.00 1.78 1.91 0.00 3.08 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 95 I 7.95 3.62 1.99 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.80 0.91 0.00 0.00 96 C 7.56 3.15 0.00 2.07 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 97 E 7.87 3.79 0.00 1.94 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 2.43 2.43 0.00 98 C 7.68 4.24 0.00 3.25 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 99 D 8.02 4.01 0.00 2.79 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 0.00 100 K 8.38 3.80 0.00 1.67 1.84 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.35 7.81 101 A 7.74 3.84 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 0.00 102 A 7.66 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.90 3.73 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 0.00 104 I 7.55 3.58 1.93 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 1.37 0.64 0.87 0.00 0.00 105 C 7.95 4.10 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.03 4.59 0.00 3.05 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 0.00 107 R 8.25 3.98 0.00 1.78 2.21 0.00 3.52 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 108 Q 8.22 4.30 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 109 N 8.05 5.11 0.00 2.84 2.79 0.00 0.00 6.88 6.03 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 0.00 110 L 8.20 4.12 0.00 1.76 1.77 0.94 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.30 4.52 0.00 2.86 2.99 0.00 0.00 5.81 7.71 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 0.00 112 T 7.96 4.58 4.31 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 1.26 0.00 0.00 113 Y 7.79 4.07 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.84 4.82 0.00 3.99 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 0.00 115 K 8.78 4.21 0.00 1.89 1.87 0.00 1.76 0.00 0.00 1.91 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.73 1.62 7.81 116 K 7.39 4.06 0.00 1.60 1.71 0.00 1.14 0.00 0.00 1.45 0.00 0.00 2.47 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.89 0.21 7.81 117 Y 7.23 4.36 0.00 1.93 1.80 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 0.00 118 M 7.50 4.29 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.61 0.00 119 L 8.38 3.67 0.00 1.82 1.73 0.91 0.82 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 0.00 120 Y 7.39 4.22 0.00 2.89 3.04 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 0.00 121 P 0.00 4.35 0.00 2.50 2.17 0.00 2.97 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 1.51 1.88 0.00 122 D 9.03 4.23 0.00 2.68 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 *124 F 7.83 4.81 0.00 3.23 3.10 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 0.00 125 L 7.04 3.89 0.00 0.82 1.35 0.51 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 126 C 7.89 4.93 0.00 3.05 3.20 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 0.00 127 K 8.40 4.64 0.00 1.79 1.69 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.36 7.81 128 G 8.85 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 0.00 0.00 0.00 129 E 8.30 4.82 0.00 2.02 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 2.33 2.29 0.00 130 L 8.25 4.74 0.00 1.45 1.29 0.29 0.49 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 0.00 131 K 8.49 4.32 0.00 1.91 1.77 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.56 1.50 7.81 *133 C 8.49 4.81 0.00 2.93 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 * Residues marked with a * may have inaccurate shift predictions.