NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.7589 8.3349 115.5704 58.2431 63.7597 172.6541 5 I 4.4090 8.9821 128.2361 58.9262 40.2543 172.6925 6 A 4.9253 8.7918 129.1323 49.9310 21.7985 175.2072 7 V 4.0907 8.0254 122.1969 60.6383 34.6983 174.4824 8 E 4.3771 8.6620 127.3752 55.9607 29.9919 177.7934 9 A 4.4988 9.0470 127.8951 54.7759 18.6474 178.6053 10 E 4.4046 8.3148 111.8447 58.4477 29.8456 176.1568 11 N 4.6697 8.2550 119.0158 53.7574 39.3163 174.9617 12 F 4.3419 7.4262 110.6649 56.2436 39.0156 174.6660 13 N 4.7600 9.0538 119.7070 55.8536 39.3629 175.1920 14 A 4.7984 7.7233 117.6186 51.1678 22.7443 175.5427 15 V 4.2294 7.9392 111.3491 59.9897 36.0753 175.1367 16 G 3.0959 7.1043 107.9931 45.3601 0.0000 172.5324 17 G 4.7494 8.8834 112.7948 46.1114 0.0000 172.4934 *26 P 3.9406 0.0000 0.0000 60.5138 32.6856 176.4631 27 V 3.7415 7.9578 118.6149 64.3206 31.4850 175.2586 28 S 4.9650 9.2430 122.9320 56.7816 66.9201 172.8753 29 V 5.1436 8.4520 120.8536 62.0162 33.2432 174.0882 30 Y 5.1268 9.2151 123.9015 56.3438 42.1128 173.6273 31 T 4.9709 8.4477 115.2649 61.8352 71.9646 174.3251 32 V 4.4384 8.5401 117.9672 61.2972 35.7390 174.8999 33 N 4.2667 9.9878 120.0869 54.3066 36.0984 175.6978 34 G 3.9925 8.4702 105.2494 45.5977 0.0000 174.2365 35 N 4.8019 8.4945 117.9513 52.4849 39.8724 174.1319 36 T 4.8571 8.0806 116.9042 61.9706 71.2769 173.2222 37 A 4.7453 8.5740 125.9573 51.3373 23.7685 174.4507 38 I 5.2621 8.9706 112.6631 59.9660 40.3362 175.1415 39 N 5.6123 8.7692 120.5978 51.5706 41.1570 173.3716 40 Y 3.6007 7.9234 113.1607 59.1831 35.7185 171.1223 41 V 3.4806 7.4628 119.6786 62.1843 31.4505 174.7359 42 N 4.7181 8.5314 125.3988 50.5844 40.6950 174.3561 43 Q 4.0669 7.8984 121.0243 58.1430 29.0474 177.1693 44 G 4.0230 8.9847 114.2401 45.3978 0.0000 173.2516 45 D 4.8165 7.7322 120.0652 54.6206 42.2759 174.8393 46 Y 5.4504 8.2156 117.6052 55.9285 42.1420 173.4604 47 A 4.8334 9.2004 121.1348 50.3410 22.9060 174.7498 48 D 5.4234 9.0247 121.6552 52.9265 43.8565 175.1997 49 Y 5.2367 9.3644 118.7597 56.8822 43.0763 174.0180 50 T 5.1505 8.8237 117.1423 61.9280 71.1906 173.8690 51 I 4.8125 8.9645 118.0255 58.9998 41.5162 173.8814 52 A 5.0561 8.5933 124.7961 50.2408 21.2541 175.6195 53 V 4.1404 8.8071 123.4931 61.2902 33.0153 176.4755 54 A 4.0369 8.9080 131.5933 54.2964 18.8409 176.8959 55 Q 4.7681 7.8329 115.3633 53.7277 31.3982 175.3906 56 A 4.1884 9.0305 128.3711 51.8222 19.2804 177.1886 57 G 3.8167 7.5298 106.9176 46.5691 0.0000 170.1320 58 N 5.2570 8.4936 118.8750 52.8607 40.0093 174.4885 59 Y 4.7036 9.1234 124.0893 56.3628 41.1400 175.0428 60 T 4.5543 8.9541 121.8303 63.3185 70.1627 173.7937 61 I 4.5218 8.6385 127.8478 60.2560 39.0287 174.8160 62 S 4.9432 8.8286 120.8451 56.6321 65.8374 172.0931 63 Y 5.2098 8.8450 123.6476 56.5717 41.1507 175.1707 64 Q 5.0329 9.5058 122.5983 54.5698 29.4422 174.3941 65 A 5.4605 9.1250 125.5228 50.0545 23.1680 174.6455 66 G 4.6361 9.5112 105.4408 45.0841 0.0000 171.3635 67 S 4.2771 8.3223 113.2946 56.2962 66.3932 174.3370 68 G 3.7213 5.3800 110.3475 43.7068 0.0000 173.0176 69 V 4.4441 6.6237 111.0880 59.3885 35.7478 175.0381 70 T 4.1583 8.1528 118.3697 64.1409 69.3088 175.1495 71 G 4.1891 9.0721 114.2363 45.1705 0.0000 172.5636 72 G 4.7099 8.0707 107.3008 44.4143 0.0000 173.5390 73 S 5.2807 8.7713 119.2411 56.8630 67.9813 172.8757 74 I 4.5407 8.6249 124.9803 59.8282 38.5633 174.2198 75 E 4.9383 9.3018 129.7083 54.9348 31.5029 174.3117 76 F 5.1007 9.5101 130.0244 56.7185 41.2299 174.3047 77 L 5.4766 8.7508 126.1305 52.9519 45.6836 175.6165 78 V 5.0841 8.8324 120.8732 61.1163 34.8674 174.0172 79 N 4.3587 8.9111 127.1223 53.0329 39.6138 174.0973 80 E 4.3713 9.2133 126.2825 55.2336 31.9371 176.0170 81 N 4.0584 9.8519 124.3579 54.2239 35.9779 175.3290 82 G 3.8422 8.3955 104.3186 44.9805 0.0000 172.4727 83 S 4.5744 7.4467 113.8979 55.8503 66.0310 172.9467 84 W 4.7755 8.7718 126.1559 56.5175 29.9503 175.2866 85 A 4.8016 9.2390 126.9684 49.8794 20.8925 175.4680 86 S 4.4409 8.9585 118.2984 59.0631 62.7741 172.8505 87 K 4.7337 9.5313 126.1760 57.8245 33.7530 176.4849 88 T 4.8327 7.7955 108.2315 60.1504 72.6815 172.3062 89 V 4.9102 8.3648 121.7576 61.6611 34.4130 174.5970 90 T 4.6915 8.8499 124.0438 61.3592 71.7477 173.4061 91 A 4.4022 8.7583 128.7890 51.5271 19.3224 176.4111 92 V 4.2001 8.4715 122.9026 60.5336 32.4066 174.1487 93 P 4.2977 0.0000 0.0000 62.8786 32.9948 175.4018 94 N 4.7402 8.6885 122.3566 52.4338 38.6885 174.1687 95 Q 4.3372 8.3185 122.1355 55.2095 31.2982 175.6518 96 G 3.9140 8.3253 107.9713 44.9984 0.0000 175.5371 97 W 4.3492 8.7072 123.0877 59.6665 29.1586 176.7840 98 D 4.4424 8.0629 114.4154 54.2789 40.6627 176.5326 99 N 4.5108 7.2594 120.1306 52.0427 37.6925 172.6948 100 F 4.8834 7.5304 121.1709 56.9819 40.1526 174.5794 101 Q 4.8562 9.3893 122.4284 53.0125 33.4278 172.8356 102 P 4.8705 0.0000 0.0000 63.2025 32.0764 175.2782 103 L 4.7570 9.0181 125.8467 52.7978 45.2801 174.7956 104 N 4.4662 9.1428 125.8387 53.7622 39.2865 174.3381 105 G 3.9756 8.9441 113.4623 45.7263 0.0000 175.4029 106 G 3.9711 8.7710 108.4914 44.7874 0.0000 172.8169 107 S 5.2734 8.2700 115.8748 56.7520 67.2411 174.2319 108 V 4.5064 8.7604 122.0373 60.1632 34.5847 173.7418 109 Y 4.7833 8.8106 126.0652 57.2202 39.8724 174.3818 110 L 4.8211 8.0835 125.9931 52.6771 45.9166 176.5095 111 S 4.7188 8.8266 117.7267 57.8054 64.2503 173.6611 112 A 4.1690 8.3947 122.8087 52.9869 19.0470 176.5000 113 G 3.6586 8.3737 106.7729 44.4003 0.0000 172.3383 114 T 4.9542 8.1616 116.1256 62.8863 69.9260 174.4645 115 H 4.9887 9.2816 122.1432 54.1757 33.4198 172.3154 116 Q 5.0122 8.6556 120.7573 54.9010 30.7224 174.7560 117 V 5.0171 9.3216 123.5369 61.0914 35.1530 174.0508 118 R 4.9596 8.7986 126.8326 54.3942 33.2867 173.7617 119 L 5.0880 8.9631 126.0246 53.3199 44.1232 174.8360 120 H 5.3217 9.2968 123.9064 54.3089 33.3533 173.1365 121 G 4.1450 9.2972 113.4148 46.0160 0.0000 173.4005 122 A 4.5342 9.0617 127.7916 51.7719 20.0872 177.1402 123 G 4.0266 7.4645 101.3338 45.4202 0.0000 174.4140 124 S 4.4515 8.6534 114.0094 60.5964 63.7201 174.6712 125 N 4.6536 8.1641 119.1680 52.8091 39.5257 174.3908 126 N 4.3107 8.9306 121.8029 55.5151 39.7431 174.5304 127 W 4.3666 8.8603 117.9793 55.2228 31.0284 174.4603 128 Q 4.7234 9.0401 121.1975 55.1624 30.3932 175.0470 129 W 5.2795 7.2247 116.1167 56.4055 31.0135 172.9230 130 N 5.6983 9.7642 118.7351 51.8703 41.5741 173.6625 131 L 5.0157 8.8600 122.2008 54.0664 45.5850 176.2247 132 D 4.0710 9.0513 127.1515 55.7046 42.3108 175.8135 133 K 4.8757 7.4886 114.9377 56.4933 35.5427 172.9754 134 F 5.4815 8.7617 115.2749 55.7842 41.8787 173.5463 135 T 5.1308 9.2472 115.3825 61.8263 73.1392 172.9560 136 L 5.2276 8.9473 124.4314 53.1534 44.9207 175.6701 137 S 5.0190 9.0735 119.6090 56.6080 66.5582 174.0800 138 N 4.0936 8.7122 121.4662 53.6050 38.6945 174.4718 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 4 S 8.33 4.76 0.00 3.92 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 5 I 8.98 4.41 1.79 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.78 0.82 0.00 0.00 6 A 8.79 4.93 1.10 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 7 V 8.03 4.09 0.67 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 0.67 0.00 0.00 0.53 0.00 0.00 8 E 8.66 4.38 0.00 1.93 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 0.00 2.34 2.23 0.00 9 A 9.05 4.50 1.60 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 0.00 0.00 10 E 8.31 4.40 0.00 2.13 2.21 0.00 0.00 0.00 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 2.25 0.00 11 N 8.25 4.67 0.00 2.69 3.05 0.00 0.00 7.18 6.85 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 12 F 7.43 4.34 0.00 2.89 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 13 N 9.05 4.76 0.00 2.64 2.98 0.00 0.00 6.70 7.35 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 14 A 7.72 4.80 1.28 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 0.00 0.00 15 V 7.94 4.23 1.54 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 -0.63 0.00 0.00 0.56 0.00 0.00 16 G 7.10 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 0.00 0.00 0.00 17 G 8.88 4.75 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 *26 P 0.00 3.94 0.00 1.94 1.88 0.00 3.55 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.96 0.00 27 V 7.96 3.74 1.68 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 0.54 0.00 0.00 0.66 0.00 0.00 28 S 9.24 4.97 0.00 4.06 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 29 V 8.45 5.14 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 0.96 0.00 0.00 1.20 0.00 0.00 30 Y 9.22 5.13 0.00 3.14 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 31 T 8.45 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 1.28 0.00 0.00 32 V 8.54 4.44 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 0.96 0.00 0.00 0.83 0.00 0.00 33 N 9.99 4.27 0.00 2.86 2.89 0.00 0.00 7.09 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 34 G 8.47 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 35 N 8.49 4.80 0.00 3.07 2.81 0.00 0.00 6.68 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 36 T 8.08 4.86 4.39 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 1.28 0.00 0.00 37 A 8.57 4.75 1.02 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 38 I 8.97 5.26 2.04 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.99 1.28 0.00 0.00 39 N 8.77 5.61 0.00 2.27 2.52 0.00 0.00 6.94 8.42 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 40 Y 7.92 3.60 0.00 3.08 2.99 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 41 V 7.46 3.48 1.62 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 -0.25 0.00 0.00 0.63 0.00 0.00 42 N 8.53 4.72 0.00 2.54 2.30 0.00 0.00 6.25 8.10 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 43 Q 7.90 4.07 0.00 2.14 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.57 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 44 G 8.98 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 45 D 7.73 4.82 0.00 2.46 2.31 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 46 Y 8.22 5.45 0.00 2.96 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 47 A 9.20 4.83 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 48 D 9.02 5.42 0.00 2.61 2.68 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 0.00 0.00 0.00 0.00 49 Y 9.36 5.24 0.00 3.08 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 T 8.82 5.15 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 1.27 0.00 0.00 51 I 8.96 4.81 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.39 1.04 0.00 0.00 52 A 8.59 5.06 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 53 V 8.81 4.14 2.30 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 0.96 0.00 0.00 0.73 0.00 0.00 54 A 8.91 4.04 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 55 Q 7.83 4.77 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.85 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 56 A 9.03 4.19 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 57 G 7.53 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 58 N 8.49 5.26 0.00 2.82 2.70 0.00 0.00 6.68 7.54 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 59 Y 9.12 4.70 0.00 2.91 2.81 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 0.00 0.00 0.00 60 T 8.95 4.55 4.19 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 1.21 0.00 0.00 61 I 8.64 4.52 1.33 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.17 0.07 0.00 0.00 62 S 8.83 4.94 0.00 3.77 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 63 Y 8.85 5.21 0.00 2.88 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 64 Q 9.51 5.03 0.00 1.94 2.15 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 2.35 2.48 0.00 65 A 9.12 5.46 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.51 4.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.32 4.28 0.00 3.73 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 68 G 5.38 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.62 4.44 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 0.92 0.00 0.00 1.08 0.00 0.00 70 T 8.15 4.16 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 1.22 0.00 0.00 71 G 9.07 4.19 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 0.00 72 G 8.07 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 0.00 0.00 0.00 0.00 73 S 8.77 5.28 0.00 3.88 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 74 I 8.62 4.54 0.95 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.05 0.00 0.00 75 E 9.30 4.94 0.00 2.11 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 2.33 2.33 0.00 76 F 9.51 5.10 0.00 3.25 2.86 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 77 L 8.75 5.48 0.00 1.50 1.84 0.80 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.83 5.08 2.25 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 1.07 0.00 0.00 1.23 0.00 0.00 79 N 8.91 4.36 0.00 1.44 2.17 0.00 0.00 6.99 8.39 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 80 E 9.21 4.37 0.00 1.95 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 2.25 2.40 0.00 81 N 9.85 4.06 0.00 2.75 2.76 0.00 0.00 7.35 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 82 G 8.40 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 83 S 7.45 4.57 0.00 3.84 3.59 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 84 W 8.77 4.78 0.00 3.23 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 85 A 9.24 4.80 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 86 S 8.96 4.44 0.00 4.03 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 87 K 9.53 4.73 0.00 1.98 1.90 0.00 1.86 0.00 0.00 1.88 0.00 0.00 3.23 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.77 1.77 7.81 88 T 7.80 4.83 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 1.18 0.00 0.00 89 V 8.36 4.91 2.12 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 0.88 0.00 0.00 0.99 0.00 0.00 90 T 8.85 4.69 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 1.33 0.00 0.00 91 A 8.76 4.40 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 92 V 8.47 4.20 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 0.83 0.00 0.00 0.72 0.00 0.00 93 P 0.00 4.30 0.00 2.10 1.94 0.00 3.65 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 94 N 8.69 4.74 0.00 2.85 2.63 0.00 0.00 6.87 6.73 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 95 Q 8.32 4.34 0.00 1.87 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.44 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 96 G 8.33 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 97 W 8.71 4.35 0.00 3.26 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.06 4.44 0.00 2.61 2.62 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 99 N 7.26 4.51 0.00 2.63 2.88 0.00 0.00 7.15 7.12 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 0.00 100 F 7.53 4.88 0.00 3.11 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 0.00 101 Q 9.39 4.86 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.99 0.00 0.00 0.00 0.00 0.00 2.46 2.65 0.00 102 P 0.00 4.87 0.00 2.10 2.10 0.00 3.75 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 2.02 2.00 0.00 103 L 9.02 4.76 0.00 1.81 1.80 1.01 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 104 N 9.14 4.47 0.00 2.77 2.73 0.00 0.00 7.06 7.98 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 0.00 105 G 8.94 3.98 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 0.00 0.00 0.00 106 G 8.77 3.97 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 0.00 0.00 0.00 107 S 8.27 5.27 0.00 3.69 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 0.00 108 V 8.76 4.51 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 0.59 0.00 0.00 1.03 0.00 0.00 109 Y 8.81 4.78 0.00 3.08 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 0.00 110 L 8.08 4.82 0.00 1.34 1.19 0.63 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 111 S 8.83 4.72 0.00 3.98 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 0.00 112 A 8.39 4.17 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 0.00 113 G 8.37 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 0.00 114 T 8.16 4.95 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 1.21 0.00 0.00 115 H 9.28 4.99 0.00 3.11 3.19 0.00 5.80 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 0.00 116 Q 8.66 5.01 0.00 1.88 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 117 V 9.32 5.02 2.25 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 0.34 0.00 0.00 1.03 0.00 0.00 118 R 8.80 4.96 0.00 0.67 0.74 0.00 2.21 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.47 0.00 119 L 8.96 5.09 0.00 1.87 1.57 0.60 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 120 H 9.30 5.32 0.00 3.11 3.23 0.00 5.77 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 0.00 121 G 9.30 4.14 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 0.00 0.00 0.00 122 A 9.06 4.53 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 0.00 123 G 7.46 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 0.00 124 S 8.65 4.45 0.00 3.91 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 0.00 125 N 8.16 4.65 0.00 2.97 3.06 0.00 0.00 7.19 7.39 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 0.00 126 N 8.93 4.31 0.00 2.66 2.54 0.00 0.00 6.92 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 0.00 127 W 8.86 4.37 0.00 3.47 3.37 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 0.00 0.00 0.00 0.00 128 Q 9.04 4.72 0.00 1.56 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.71 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 129 W 7.22 5.28 0.00 3.54 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 0.00 130 N 9.76 5.70 0.00 3.48 3.51 0.00 0.00 6.69 6.62 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 0.00 131 L 8.86 5.02 0.00 2.12 1.79 1.02 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 132 D 9.05 4.07 0.00 1.77 2.48 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 0.00 133 K 7.49 4.88 0.00 1.91 1.97 0.00 1.49 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.30 1.32 7.81 134 F 8.76 5.48 0.00 3.12 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 9.25 5.13 4.21 0.00 0.00 0.00 0.00 0.00 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 0.00 136 L 8.95 5.23 0.00 1.51 1.58 0.98 0.95 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 0.00 137 S 9.07 5.02 0.00 3.71 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 0.00 138 N 8.71 4.09 0.00 2.17 2.47 0.00 0.00 6.98 7.56 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 * Residues marked with a * may have inaccurate shift predictions.