NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 S 4.4920 8.3344 115.5540 57.6533 64.6842 172.9107 20 L 4.6963 8.6518 123.8692 53.4515 42.3985 174.5087 21 S 4.7358 9.4422 120.5420 57.5717 67.2728 172.0697 22 I 5.1769 8.1207 120.6208 59.4980 39.5650 175.8162 23 T 3.9403 8.4374 116.9651 62.5119 69.4595 174.7704 24 T 3.4105 8.5711 120.9830 64.0139 65.3811 170.6616 25 P 4.3670 0.0000 0.0000 64.2900 32.8312 176.8305 26 E 5.1860 7.7747 120.9972 54.7562 32.6310 174.2650 27 E 4.8804 8.9888 124.2889 55.5161 35.0575 173.6463 28 M 5.4908 8.3751 119.7185 53.2757 35.5533 174.0135 29 I 4.5812 8.4209 125.8889 59.5912 40.5798 174.1487 30 E 4.9389 8.8555 126.7702 55.4885 30.8074 175.7476 31 K 4.7791 8.8985 121.5370 54.7611 37.4235 175.2511 32 A 4.7523 8.4232 122.9400 50.9177 20.3016 176.9231 33 K 3.8247 8.1384 121.9468 58.2925 32.5765 175.7685 34 G 4.2726 9.6568 115.8159 44.9704 0.0000 173.7253 35 E 4.6086 7.6859 118.4676 56.2347 30.9136 176.2639 36 T 4.8952 8.3560 111.3872 60.4571 71.0227 173.6354 37 A 4.6250 8.2811 125.6541 50.4839 21.3803 175.0856 38 Y 4.5660 8.6343 124.6515 56.6347 39.7677 175.2069 39 L 4.2826 8.0803 128.9806 52.6077 42.5130 174.3782 40 P 4.3259 0.0000 0.0000 62.5339 32.4946 177.9201 41 C 4.8461 9.3788 123.9916 55.6122 40.2494 171.0853 42 K 5.3292 8.5967 123.7801 54.0668 34.3703 174.9310 43 F 5.5189 8.9741 119.8226 55.2910 41.3525 174.4888 44 T 4.5485 9.0021 117.0480 61.9411 70.8194 173.5314 45 L 4.9558 8.5821 126.2924 53.7920 43.6863 175.9554 46 S 4.8811 9.2686 116.8413 55.7807 64.5752 173.3559 47 P 4.3416 0.0000 0.0000 65.6125 31.1566 177.6254 48 E 4.0692 7.7956 116.6055 59.0951 29.8333 177.8946 49 D 4.8821 7.6937 120.4207 54.2877 38.2465 175.9749 50 Q 4.2935 7.8398 117.0409 55.9202 29.9173 176.5210 51 G 3.9177 7.7245 108.0254 43.7837 0.0000 171.4866 52 P 4.3675 0.0000 0.0000 62.0551 31.8586 175.8732 53 L 4.1854 8.5266 124.2020 55.5306 42.8404 175.9385 54 D 4.9422 9.2630 126.2116 52.5155 42.8916 173.6121 55 I 5.0005 8.8594 125.4528 59.4139 40.6317 174.4087 56 E 5.1047 8.8826 125.3121 55.1051 33.4855 173.5669 57 W 5.1984 9.4539 127.3468 55.1554 31.6306 175.2518 58 L 5.3026 8.8818 123.1825 52.8628 45.9432 175.0684 59 I 4.3748 8.5924 120.9906 59.3077 41.0566 174.5487 60 S 4.4856 9.0204 126.2983 55.9229 63.6898 171.9416 61 P 4.6278 0.0000 0.0000 62.2168 31.4923 176.6450 62 A 4.0840 8.6552 124.3305 55.4735 18.3979 179.2613 63 D 4.2567 8.2554 114.4816 57.2140 41.1502 177.0433 *67 V 3.6912 7.4004 116.0367 63.9049 32.4886 174.4187 68 D 4.2753 8.6344 124.5671 55.1484 38.2666 171.6523 69 Q 4.5759 8.1703 117.7731 53.3094 32.4903 175.5452 70 V 4.0405 8.6235 124.8053 63.6037 31.6497 174.8254 71 I 4.5443 8.9278 121.3290 62.2633 39.3162 175.8315 72 I 5.1344 7.7328 121.7522 59.0807 41.6745 173.2978 73 L 5.5344 9.6701 127.9141 53.2374 45.9146 174.9790 74 Y 5.1223 9.2797 122.6534 56.1313 41.6891 174.2613 75 S 4.8079 8.8792 120.9456 57.4408 67.0285 174.4522 76 G 4.0361 9.4555 109.1041 46.8976 0.0000 173.4630 77 D 4.5003 7.9714 114.0106 53.8935 38.5820 173.8299 78 K 4.3999 7.3595 118.1547 54.4250 34.9984 175.1930 79 I 4.8076 7.7802 122.6095 59.9481 38.8373 174.8814 80 Y 4.7489 8.9352 122.3621 56.5100 40.1261 175.5672 81 D 5.0278 8.8062 121.8726 53.0868 39.2239 175.6506 82 D 4.7046 7.6641 118.5378 54.8870 41.3626 177.8382 83 Y 4.3161 7.9946 117.6946 60.0882 38.2860 174.8814 84 Y 4.7130 7.5735 120.1330 54.9860 39.1686 173.8843 85 P 4.1579 0.0000 0.0000 65.7401 31.5624 178.8455 86 D 4.2676 7.3334 115.4284 56.6826 41.1122 177.2098 87 L 4.6035 7.7865 117.8672 54.0319 41.8645 175.7341 88 K 4.0844 7.7637 121.5553 57.8383 32.0432 177.2932 89 G 3.9793 9.0162 114.0952 45.8797 0.0000 173.3327 90 R 4.5476 7.8804 117.1043 55.6318 32.0723 175.5079 91 V 5.3515 7.8984 119.1742 60.1401 33.8608 174.1778 92 H 5.0661 8.1264 121.8415 53.5784 32.2968 172.7394 93 F 4.7581 8.9789 118.7354 58.1882 38.9896 175.3900 94 T 4.3718 8.8161 111.6635 62.2457 69.9480 174.8630 95 S 4.6748 8.0713 117.1103 56.5911 63.2448 173.4266 96 N 4.5928 8.8093 124.5896 54.3830 37.8314 174.6100 97 D 4.8719 7.7714 118.3012 52.6037 41.0451 175.5611 98 L 4.0711 7.5928 124.1659 56.8544 43.0704 178.7657 99 K 3.8880 8.1172 117.4697 59.1387 32.0023 177.4780 100 S 4.4128 8.4749 110.4271 57.7847 63.4081 173.0838 101 G 2.0000 6.1210 114.7236 44.6527 0.0000 172.6387 102 D 5.0359 7.6618 120.9829 52.5035 41.8695 174.7044 103 A 5.0548 9.1286 128.3435 52.0070 19.9062 177.1320 104 S 4.8155 8.5829 114.8216 60.1599 64.3865 173.4257 105 I 4.8842 7.9617 114.7067 59.3188 41.5680 173.3971 106 N 5.2441 9.2013 120.1659 51.6614 41.2433 174.5352 107 V 4.6552 8.1615 124.3658 61.2133 31.9227 174.9002 108 T 4.2926 8.9569 117.0105 60.5217 70.1534 173.7039 109 N 4.6130 8.4884 117.2338 52.7114 37.6511 173.9097 110 L 4.2492 7.5104 116.7287 55.6093 42.9355 177.1677 111 Q 4.8356 8.6214 118.5250 54.3189 32.1887 175.8398 112 L 4.2570 8.4994 117.8365 57.7321 41.7133 179.6792 113 S 4.4242 7.9750 113.0558 60.5387 62.9943 174.7707 114 D 4.6533 8.3361 119.7611 55.8038 41.1502 176.6525 115 I 3.9730 7.5938 120.6867 61.2578 38.2180 176.1184 116 G 4.2370 7.9553 114.1020 46.4819 0.0000 170.9224 117 T 4.9120 7.8948 117.0912 63.2582 69.6141 173.9776 118 Y 4.9773 9.4833 125.2947 56.4294 40.4478 174.5448 119 Q 4.9407 9.4720 125.2017 54.3904 32.3861 173.4697 120 C 3.8336 9.0211 126.5045 54.3254 46.5974 171.8206 121 K 4.6978 8.4732 128.9017 54.6654 33.6944 174.9440 122 V 4.4885 8.5265 127.9914 60.8596 34.1324 174.2619 123 K 4.9467 8.6196 126.6303 54.6156 35.7049 175.5857 124 K 4.7597 9.1557 125.8513 54.5129 34.4551 174.2789 125 A 4.3395 8.6851 128.4767 51.8153 19.0894 176.0436 126 P 4.4377 0.0000 0.0000 63.2608 32.2222 176.9407 127 G 3.6990 8.3414 110.7540 45.8064 0.0000 172.8096 128 V 4.8483 8.0957 122.7312 61.1734 34.6008 174.0516 129 A 4.8602 8.8659 127.8643 50.9110 23.0956 174.4771 130 N 5.3324 8.4135 115.4907 51.2398 40.5754 173.6787 131 K 4.7994 8.8254 121.9160 54.5656 36.1830 174.6118 132 K 4.9568 9.0068 125.5820 54.6610 35.1070 174.9925 133 I 4.7106 9.1535 126.3029 59.8641 39.8381 174.6770 134 H 5.0207 8.9535 125.8809 54.8108 29.5457 174.0481 135 L 4.8294 8.8585 127.0268 53.7040 43.8020 175.2991 136 V 4.4750 8.3984 125.5334 61.0211 34.5089 174.1872 137 V 4.7679 8.4604 127.3266 61.3831 33.0198 174.8997 138 L 4.5570 8.7495 128.7262 52.9671 44.0523 177.6047 139 V 3.7367 8.2762 118.9931 63.5386 31.4048 175.8215 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 19 S 8.33 4.49 0.00 3.89 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 20 L 8.65 4.70 0.00 1.97 1.63 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.44 4.74 0.00 3.90 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 22 I 8.12 5.18 1.87 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.66 1.00 0.00 0.00 23 T 8.44 3.94 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 1.22 0.00 0.00 24 T 8.57 3.41 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 1.27 0.00 0.00 25 P 0.00 4.37 0.00 2.10 2.29 0.00 3.64 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 26 E 7.77 5.19 0.00 2.05 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 2.24 2.35 0.00 27 E 8.99 4.88 0.00 1.96 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 2.25 2.28 0.00 28 M 8.38 5.49 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.42 0.00 29 I 8.42 4.58 1.85 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 1.43 0.98 0.92 0.00 0.00 30 E 8.86 4.94 0.00 1.86 1.88 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 2.28 2.35 0.00 31 K 8.90 4.78 0.00 1.61 1.63 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.51 7.81 32 A 8.42 4.75 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 33 K 8.14 3.82 0.00 1.81 1.74 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.66 1.56 7.81 34 G 9.66 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 0.00 0.00 0.00 0.00 35 E 7.69 4.61 0.00 1.99 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 2.32 2.40 0.00 36 T 8.36 4.90 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 1.23 0.00 0.00 37 A 8.28 4.62 1.14 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 38 Y 8.63 4.57 0.00 2.86 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 39 L 8.08 4.28 0.00 0.99 1.32 0.15 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.33 0.00 1.93 1.91 0.00 3.64 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.97 0.00 41 C 9.38 4.85 0.00 3.20 3.26 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 42 K 8.60 5.33 0.00 1.76 1.69 0.00 1.72 0.00 0.00 1.94 0.00 0.00 3.24 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.46 7.81 43 F 8.97 5.52 0.00 2.92 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 44 T 9.00 4.55 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 1.22 0.00 0.00 45 L 8.58 4.96 0.00 1.55 1.64 1.04 1.19 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 46 S 9.27 4.88 0.00 3.85 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 47 P 0.00 4.34 0.00 2.22 2.18 0.00 3.83 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 1.99 1.96 0.00 48 E 7.80 4.07 0.00 2.05 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 2.30 0.00 49 D 7.69 4.88 0.00 2.87 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 50 Q 7.84 4.29 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.02 0.00 0.00 0.00 0.00 0.00 2.48 2.30 0.00 51 G 7.72 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 52 P 0.00 4.37 0.00 2.22 2.09 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 53 L 8.53 4.19 0.00 1.75 1.83 0.77 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 54 D 9.26 4.94 0.00 2.92 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 55 I 8.86 5.00 2.02 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.49 1.06 0.00 0.00 56 E 8.88 5.10 0.00 2.02 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 57 W 9.45 5.20 0.00 3.29 3.11 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 58 L 8.88 5.30 0.00 1.55 1.62 0.85 0.38 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 59 I 8.59 4.37 1.25 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.53 -0.05 0.00 0.00 60 S 9.02 4.49 0.00 3.67 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 61 P 0.00 4.63 0.00 1.95 2.02 0.00 3.62 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 2.09 2.05 0.00 62 A 8.66 4.08 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 63 D 8.26 4.26 0.00 2.70 2.77 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 *67 V 7.40 3.69 2.06 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 0.77 0.00 0.00 0.91 0.00 0.00 68 D 8.63 4.28 0.00 2.76 2.61 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 69 Q 8.17 4.58 0.00 1.76 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 70 V 8.62 4.04 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 0.62 0.00 0.00 0.79 0.00 0.00 71 I 8.93 4.54 1.97 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.85 0.79 0.00 0.00 72 I 7.73 5.13 1.87 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.73 0.00 0.00 73 L 9.67 5.53 0.00 1.98 1.78 0.74 0.56 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 74 Y 9.28 5.12 0.00 2.80 2.71 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 75 S 8.88 4.81 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 76 G 9.46 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 0.00 0.00 0.00 77 D 7.97 4.50 0.00 2.78 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 78 K 7.36 4.40 0.00 1.79 1.12 0.00 1.67 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.19 1.27 7.81 79 I 7.78 4.81 1.89 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.58 1.25 0.00 0.00 80 Y 8.94 4.75 0.00 3.35 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 81 D 8.81 5.03 0.00 2.78 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 82 D 7.66 4.70 0.00 2.52 2.60 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 83 Y 7.99 4.32 0.00 3.17 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 84 Y 7.57 4.71 0.00 3.21 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 85 P 0.00 4.16 0.00 1.99 2.02 0.00 3.49 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 86 D 7.33 4.27 0.00 2.24 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 87 L 7.79 4.60 0.00 2.12 1.76 1.16 0.59 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 88 K 7.76 4.08 0.00 1.84 1.73 0.00 1.84 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.38 7.81 89 G 9.02 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 90 R 7.88 4.55 0.00 1.79 1.91 0.00 3.07 0.00 0.00 3.09 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.54 0.00 91 V 7.90 5.35 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 0.64 0.00 0.00 0.96 0.00 0.00 92 H 8.13 5.07 0.00 3.20 3.34 0.00 5.51 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 F 8.98 4.76 0.00 3.07 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 94 T 8.82 4.37 4.43 0.00 0.00 0.00 0.00 0.00 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 95 S 8.07 4.67 0.00 4.11 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 96 N 8.81 4.59 0.00 2.87 2.95 0.00 0.00 5.94 8.06 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 97 D 7.77 4.87 0.00 2.66 2.52 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 0.00 0.00 0.00 0.00 98 L 7.59 4.07 0.00 1.75 1.40 0.08 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.12 3.89 0.00 1.79 1.90 0.00 2.04 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.51 7.81 100 S 8.47 4.41 0.00 3.91 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 0.00 101 G 6.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.66 5.04 0.00 2.63 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 0.00 103 A 9.13 5.05 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.58 4.82 0.00 3.99 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 0.00 105 I 7.96 4.88 1.29 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.11 -0.20 0.00 0.00 106 N 9.20 5.24 0.00 2.58 2.68 0.00 0.00 6.86 8.22 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 0.00 107 V 8.16 4.66 1.88 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 0.95 0.00 0.00 0.57 0.00 0.00 108 T 8.96 4.29 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 1.23 0.00 0.00 109 N 8.49 4.61 0.00 2.94 2.82 0.00 0.00 7.65 6.66 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 0.00 110 L 7.51 4.25 0.00 1.84 1.62 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 8.62 4.84 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 112 L 8.50 4.26 0.00 1.75 1.79 0.93 0.85 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 0.00 113 S 7.97 4.42 0.00 3.89 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.34 4.65 0.00 2.82 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 0.00 115 I 7.59 3.97 1.92 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 1.27 0.91 1.00 0.00 0.00 116 G 7.96 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 0.00 0.00 0.00 117 T 7.89 4.91 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 1.17 0.00 0.00 118 Y 9.48 4.98 0.00 2.95 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 0.00 119 Q 9.47 4.94 0.00 2.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.74 0.00 0.00 0.00 0.00 0.00 2.09 2.31 0.00 120 C 9.02 3.83 0.00 1.23 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 0.00 121 K 8.47 4.70 0.00 1.70 1.52 0.00 1.55 0.00 0.00 1.49 0.00 0.00 2.75 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.24 1.25 7.81 122 V 8.53 4.49 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 0.06 0.00 0.00 0.53 0.00 0.00 123 K 8.62 4.95 0.00 1.83 1.60 0.00 1.80 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.26 7.81 124 K 9.16 4.76 0.00 1.76 1.65 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.50 7.81 125 A 8.69 4.34 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 0.00 126 P 0.00 4.44 0.00 2.19 2.17 0.00 3.86 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 1.98 1.96 0.00 127 G 8.34 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 0.00 128 V 8.10 4.85 2.04 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 0.77 0.00 0.00 0.96 0.00 0.00 129 A 8.87 4.86 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 0.00 130 N 8.41 5.33 0.00 2.54 2.64 0.00 0.00 5.76 7.13 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 0.00 131 K 8.83 4.80 0.00 1.73 1.45 0.00 1.65 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.28 1.43 7.81 132 K 9.01 4.96 0.00 1.80 1.56 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.34 7.81 133 I 9.15 4.71 2.02 0.00 0.00 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 1.30 0.79 0.92 0.00 0.00 134 H 8.95 5.02 0.00 3.14 3.30 0.00 5.60 0.00 0.00 0.00 0.00 6.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.86 4.83 0.00 1.76 1.87 0.84 0.34 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 0.00 136 V 8.40 4.47 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 0.91 0.00 0.00 0.97 0.00 0.00 137 V 8.46 4.77 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 0.89 0.00 0.00 0.96 0.00 0.00 138 L 8.75 4.56 0.00 1.63 1.56 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.28 3.74 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 0.75 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.