NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 I 3.9386 8.0244 114.2651 60.7922 38.9729 175.5715 5 N 4.4432 8.1222 119.7800 51.4304 39.1173 173.5325 6 L 3.8814 8.3424 130.8582 57.6633 42.7128 178.1470 7 V 3.5662 7.6486 118.0129 65.8818 31.5033 177.6377 8 Q 3.9271 7.9228 118.5865 59.0435 28.8665 177.8405 9 L 3.8223 7.7776 121.3870 58.1260 42.1868 179.2458 10 V 3.6714 7.7877 117.9951 66.1134 31.6719 178.1617 11 R 3.9988 8.2343 118.0682 59.4327 29.8224 178.7915 12 D 4.3723 8.3758 118.7116 57.5394 40.9951 178.9036 13 S 4.1840 8.1874 115.6610 61.6894 62.5977 176.7748 14 L 4.1716 7.4751 120.3663 57.2129 41.8529 178.9943 15 F 4.4537 8.0432 114.5034 60.0609 37.6860 177.7302 16 T 3.7336 6.6223 115.6054 65.6891 68.2084 175.4350 17 I 4.4756 6.9888 110.7692 59.1657 38.1807 172.3145 18 G 3.5864 7.7300 116.2682 44.8632 0.0000 171.7198 *20 P 4.2253 0.0000 0.0000 61.1279 32.3579 175.7189 21 P 4.4796 0.0000 0.0000 64.9790 31.8729 178.6275 22 S 4.2677 7.9924 113.2228 60.7936 63.2886 175.1905 23 I 3.9119 7.7034 114.2196 62.8465 38.4694 175.7173 24 I 4.7191 7.2657 123.6938 60.6587 38.0790 175.4720 25 T 4.6819 9.0202 116.7968 60.2048 72.0972 173.0108 26 D 4.9149 8.1612 121.7328 53.0430 44.3978 173.9229 *29 S 4.4075 8.7028 110.6409 58.2303 63.8839 173.2714 30 H 5.0837 7.5908 113.7411 53.7892 32.1520 172.6441 31 S 4.2100 8.8046 115.4758 59.8383 62.9176 173.4173 32 A 4.9301 8.2295 124.7502 50.4301 23.0254 174.7516 33 I 4.4104 8.9278 119.5414 60.9789 38.9469 175.8786 34 T 4.9598 8.6763 121.6419 61.7574 72.8709 173.1142 35 I 4.8621 8.4066 125.4990 59.5281 39.9170 175.2616 36 S 4.6160 8.7999 124.2086 58.2571 63.5661 174.3470 37 L 4.7778 8.1646 121.9892 52.5955 45.2743 176.3128 38 D 4.3634 8.8169 122.8528 55.9731 41.2333 176.5318 39 S 3.7992 8.7066 119.6732 59.0605 60.6116 171.9159 40 M 4.7593 7.5629 115.4503 53.3898 35.9250 173.4700 41 P 4.1649 0.0000 0.0000 62.1771 32.0857 176.4660 42 A 4.3164 8.0096 122.5783 52.0411 19.5510 176.9783 43 I 4.1021 8.2252 121.2250 60.6517 38.7588 174.7896 44 N 4.8160 8.4474 125.0673 51.4917 40.6112 174.2245 45 I 5.0989 8.3024 122.8663 59.7222 41.4411 174.2637 46 A 4.7606 8.5701 124.4297 51.0620 23.3427 175.5631 47 L 4.5292 8.7205 120.5288 54.5186 42.2824 177.2970 48 V 3.9886 9.0749 125.9180 61.4251 32.3702 174.7558 49 N 4.1091 9.4980 128.5415 54.7532 36.6824 174.3954 50 E 3.9856 8.2354 113.9797 56.6129 28.2013 174.9838 51 Q 4.6561 7.5406 118.0044 53.5223 32.1969 174.7902 52 V 4.2555 8.3240 122.0517 63.2239 33.1008 174.1974 53 M 5.3065 9.4150 127.5542 53.7798 35.5570 173.7684 54 L 5.3139 8.7354 125.6522 52.7849 44.5641 175.4824 55 W 5.9860 8.6755 118.7896 55.3759 32.4122 173.4004 56 A 4.7708 9.3709 122.3198 50.4566 22.1236 174.7673 57 N 4.6439 8.5815 120.2148 51.9487 39.6035 174.4706 58 F 4.6152 8.9489 123.6794 55.4073 41.3198 175.4348 59 D 4.9295 9.1200 122.2262 55.0099 41.3126 176.5334 60 A 4.3087 8.7458 125.8769 51.3437 18.6930 175.9340 61 P 4.4281 0.0000 0.0000 62.0354 32.4737 176.8967 62 S 4.3258 8.3833 114.6445 58.5410 64.9040 174.8361 63 D 4.3396 8.5566 121.1916 57.3416 40.9513 178.6422 64 V 3.5784 7.6700 118.5277 65.8266 31.7219 177.7836 65 K 4.0474 8.1261 120.7500 58.7549 31.7298 178.5554 66 L 3.9425 7.7003 120.0717 57.9368 42.1877 178.3518 67 Q 4.1265 7.9981 119.5723 59.3721 28.9107 178.6113 68 S 4.1883 8.2171 115.1055 60.8972 63.0173 175.4674 69 S 4.7167 7.9982 116.5362 58.1246 62.8254 175.7103 70 A 3.9526 7.6919 125.9665 55.3968 18.2113 179.1101 71 Y 4.1195 8.1373 117.4250 61.2896 38.7724 178.1392 72 N 4.1086 8.1789 116.4439 56.4264 38.6734 177.3873 73 I 3.6422 7.8330 121.1627 64.1020 37.1505 178.2674 74 L 3.9023 8.3932 121.6410 58.1082 41.6703 178.7596 75 N 4.1654 7.6677 115.5980 55.9774 38.8023 176.8085 76 L 4.0114 7.6752 121.6160 58.5859 42.0313 179.1162 77 M 4.1142 7.8625 116.8791 57.9085 31.9232 178.1138 78 L 4.2116 7.6719 117.5403 55.3606 42.3682 177.2904 79 M 4.1964 7.1716 119.3532 54.9521 32.4565 176.0897 80 N 4.6091 8.6176 120.8887 53.3318 39.4952 174.8917 81 F 4.5764 8.9213 124.7406 55.9639 40.0230 175.4952 82 S 4.1146 7.7248 122.2604 60.3556 63.2622 175.2890 83 Y 4.1248 6.6690 117.9418 59.1066 38.3891 175.2451 84 S 5.0151 8.2341 116.0411 57.4290 63.2339 174.9141 85 I 3.8319 8.5207 120.5341 63.3456 37.3024 176.5427 86 N 4.6857 8.1366 115.2097 51.7714 37.8193 174.3518 87 E 4.0817 8.3854 118.8690 57.0977 28.6965 173.1667 88 L 5.1735 8.0819 115.0118 52.4434 45.6266 175.7498 89 V 4.1708 8.1633 119.9304 61.8877 32.8290 174.8505 90 E 4.6536 9.1947 127.3032 54.8846 31.8161 174.5894 91 L 5.1443 8.4239 125.0309 53.7272 44.1082 174.9701 92 H 5.0203 9.5523 123.7262 53.9236 32.0291 172.9459 93 R 5.2787 8.6811 122.2196 54.6188 30.9939 174.7676 94 S 4.8894 8.9159 119.7426 55.9408 66.2068 174.5244 95 D 4.6081 8.7331 119.5848 56.9399 40.7812 177.5348 96 E 4.2672 7.6284 118.5830 56.6320 30.7589 174.7232 97 Y 5.7416 7.7545 114.8734 56.1332 42.5755 174.6423 98 L 4.9978 9.1397 122.5795 53.5425 43.8291 175.2545 99 Q 5.1540 9.6552 127.4608 54.2386 31.2968 174.4574 100 L 4.8935 8.7806 127.3786 54.7086 43.1257 176.1757 101 R 5.4810 9.4409 123.7061 54.8751 34.1684 174.0114 102 V 4.7774 8.8142 123.8945 60.2023 35.5193 173.6398 103 V 4.7251 8.3961 123.0568 61.4669 33.3116 174.5585 104 I 4.8798 8.5114 129.3552 60.3682 38.2994 176.3474 105 K 4.2393 9.2146 126.0251 56.2564 32.5100 177.7056 106 D 4.4295 9.0276 122.1973 57.7007 41.1445 178.3689 107 D 4.3090 8.1089 117.1874 56.5491 40.8128 176.4121 108 Y 4.8769 8.1314 114.7534 57.9112 38.4474 176.2825 109 V 4.2751 7.7469 111.6071 61.4386 31.9275 175.9949 110 H 4.6872 8.1898 115.8425 55.4558 30.2334 174.1577 111 D 4.9053 7.8550 119.0642 51.6627 43.9434 175.9859 112 G 3.5767 8.7113 114.0942 47.8192 0.0000 175.3764 113 I 3.6675 7.9416 121.5150 64.2579 37.3329 178.3561 114 V 3.7212 7.9607 118.6833 65.9452 31.4730 177.7066 115 F 4.0749 8.6546 120.4824 61.0011 39.1574 176.9121 116 A 3.8603 7.9783 120.7021 55.0562 18.1009 179.2276 117 E 3.8451 7.8078 117.9074 59.1248 29.5743 179.1325 118 I 3.1159 6.9685 119.4314 64.2119 37.1212 178.1827 119 L 3.8923 7.4090 119.7079 57.9919 41.3615 179.1641 120 H 4.2973 8.2327 118.2907 59.0469 29.8195 176.9897 121 E 4.1540 8.4413 121.3654 59.1070 29.4361 178.4719 122 F 4.2416 8.7284 120.9363 61.5780 39.5167 176.2346 123 Y 4.0322 8.3986 119.2473 60.9982 38.5271 178.1931 124 Q 3.8775 8.2178 118.6846 59.0740 28.8173 179.1751 125 R 3.8060 7.9062 118.9023 59.4271 29.9823 178.9380 126 M 3.9260 7.7329 118.4803 58.3798 31.9151 178.6050 127 E 3.7306 8.0423 118.8825 59.4277 29.3765 179.5696 128 I 3.5851 7.3246 118.4205 64.1268 37.5290 177.9955 129 L 3.8160 7.6101 121.1267 58.1079 41.5127 178.3708 130 N 4.3925 8.2671 117.4615 56.8053 38.5559 176.9362 131 G 3.6278 7.8875 106.2519 46.9081 0.0000 175.0219 132 V 4.2404 7.2909 110.8512 60.9015 32.2519 175.9456 133 L 4.2673 7.4631 124.2589 54.8008 41.6971 176.2164 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 I 8.02 3.94 1.75 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.04 0.77 0.00 0.00 5 N 8.12 4.44 0.00 2.82 2.73 0.00 0.00 6.53 5.78 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 6 L 8.34 3.88 0.00 1.74 1.60 0.71 0.87 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 7 V 7.65 3.57 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 1.06 0.00 0.00 0.92 0.00 0.00 8 Q 7.92 3.93 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 9 L 7.78 3.82 0.00 1.70 1.56 0.74 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.79 3.67 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 1.03 0.00 0.00 11 R 8.23 4.00 0.00 1.94 2.07 0.00 3.21 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 12 D 8.38 4.37 0.00 2.94 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 13 S 8.19 4.18 0.00 4.10 3.95 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 14 L 7.48 4.17 0.00 1.68 1.72 0.92 0.60 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 15 F 8.04 4.45 0.00 3.26 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 16 T 6.62 3.73 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 1.08 0.00 0.00 17 I 6.99 4.48 1.78 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.52 0.81 0.00 0.00 18 G 7.73 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 0.00 0.00 0.00 *20 P 0.00 4.23 0.00 2.07 2.03 0.00 3.64 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 1.90 2.06 0.00 21 P 0.00 4.48 0.00 2.22 2.32 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 22 S 7.99 4.27 0.00 3.99 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 23 I 7.70 3.91 1.99 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 1.52 0.53 0.88 0.00 0.00 24 I 7.27 4.72 1.87 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 1.28 0.56 0.91 0.00 0.00 25 T 9.02 4.68 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 1.20 0.00 0.00 26 D 8.16 4.91 0.00 2.57 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.70 4.41 0.00 3.85 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 30 H 7.59 5.08 0.00 3.16 3.21 0.00 5.77 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.80 4.21 0.00 3.95 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 32 A 8.23 4.93 1.45 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 0.00 0.00 0.00 33 I 8.93 4.41 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 1.23 0.89 0.95 0.00 0.00 34 T 8.68 4.96 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 1.10 0.00 0.00 35 I 8.41 4.86 1.83 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 1.20 0.88 0.87 0.00 0.00 36 S 8.80 4.62 0.00 3.73 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 37 L 8.16 4.78 0.00 1.62 1.63 1.22 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.82 4.36 0.00 2.67 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.71 3.80 0.00 4.00 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 40 M 7.56 4.76 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 41 P 0.00 4.16 0.00 1.44 1.62 0.00 3.34 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.27 0.00 42 A 8.01 4.32 1.13 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 0.00 0.00 43 I 8.23 4.10 1.86 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.67 0.93 0.00 0.00 44 N 8.45 4.82 0.00 1.44 1.42 0.00 0.00 6.34 7.74 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 45 I 8.30 5.10 1.86 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.71 1.03 0.00 0.00 46 A 8.57 4.76 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.72 4.53 0.00 1.58 1.67 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 48 V 9.07 3.99 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 0.89 0.00 0.00 0.86 0.00 0.00 49 N 9.50 4.11 0.00 2.82 2.78 0.00 0.00 7.33 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 50 E 8.24 3.99 0.00 2.19 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 2.19 2.26 0.00 51 Q 7.54 4.66 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 7.00 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 52 V 8.32 4.26 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 1.08 0.00 0.00 0.86 0.00 0.00 53 M 9.42 5.31 0.00 2.22 1.89 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.62 0.00 54 L 8.74 5.31 0.00 0.66 0.62 0.52 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 55 W 8.68 5.99 0.00 3.52 3.19 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 56 A 9.37 4.77 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 57 N 8.58 4.64 0.00 1.95 1.42 0.00 0.00 7.02 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 58 F 8.95 4.62 0.00 3.14 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 59 D 9.12 4.93 0.00 2.67 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 60 A 8.75 4.31 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 61 P 0.00 4.43 0.00 2.20 2.08 0.00 3.82 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 2.00 1.95 0.00 62 S 8.38 4.33 0.00 4.08 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 63 D 8.56 4.34 0.00 2.74 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 64 V 7.67 3.58 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 0.93 0.00 0.00 65 K 8.13 4.05 0.00 1.92 1.93 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.35 7.81 66 L 7.70 3.94 0.00 1.82 1.84 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.00 4.13 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 68 S 8.22 4.19 0.00 4.11 4.11 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 69 S 8.00 4.72 0.00 4.01 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 70 A 7.69 3.95 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.14 4.12 0.00 3.04 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 72 N 8.18 4.11 0.00 2.87 2.77 0.00 0.00 7.05 7.36 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 73 I 7.83 3.64 1.92 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.71 0.83 0.00 0.00 74 L 8.39 3.90 0.00 1.77 1.72 0.89 0.67 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 75 N 7.67 4.17 0.00 2.62 2.66 0.00 0.00 7.00 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 76 L 7.68 4.01 0.00 1.66 1.75 0.82 0.83 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 77 M 7.86 4.11 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.86 0.00 78 L 7.67 4.21 0.00 1.59 1.69 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 79 M 7.17 4.20 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.48 0.00 80 N 8.62 4.61 0.00 2.69 2.72 0.00 0.00 6.73 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 81 F 8.92 4.58 0.00 3.06 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 82 S 7.72 4.11 0.00 3.71 3.69 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 0.00 0.00 0.00 83 Y 6.67 4.12 0.00 2.85 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.23 5.02 0.00 4.34 4.17 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 85 I 8.52 3.83 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.77 1.06 0.00 0.00 86 N 8.14 4.69 0.00 2.85 2.98 0.00 0.00 5.99 7.66 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 87 E 8.39 4.08 0.00 2.26 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 2.20 2.27 0.00 88 L 8.08 5.17 0.00 1.82 1.52 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 89 V 8.16 4.17 2.01 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 0.84 0.00 0.00 0.53 0.00 0.00 90 E 9.19 4.65 0.00 2.17 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 2.27 0.00 91 L 8.42 5.14 0.00 1.58 1.51 0.90 0.92 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 92 H 9.55 5.02 0.00 3.15 3.20 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.68 5.28 0.00 1.81 1.80 0.00 3.19 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 94 S 8.92 4.89 0.00 3.99 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 95 D 8.73 4.61 0.00 2.62 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 96 E 7.63 4.27 0.00 1.85 1.48 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 1.47 1.83 0.00 97 Y 7.75 5.74 0.00 3.00 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 98 L 9.14 5.00 0.00 1.70 1.65 0.89 1.06 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 99 Q 9.66 5.15 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.02 0.00 0.00 0.00 0.00 0.00 2.44 2.61 0.00 100 L 8.78 4.89 0.00 1.88 1.73 0.63 0.40 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 0.00 101 R 9.44 5.48 0.00 1.89 1.79 0.00 2.98 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 102 V 8.81 4.78 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 0.26 0.00 0.00 0.96 0.00 0.00 103 V 8.40 4.73 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 1.05 0.00 0.00 0.95 0.00 0.00 104 I 8.51 4.88 2.07 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.15 1.25 0.00 0.00 105 K 9.21 4.24 0.00 2.21 1.85 0.00 1.88 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.41 0.00 0.00 0.00 0.00 1.60 1.77 7.81 106 D 9.03 4.43 0.00 2.79 2.72 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 0.00 107 D 8.11 4.31 0.00 2.09 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 0.00 108 Y 8.13 4.88 0.00 3.20 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 0.00 109 V 7.75 4.28 1.89 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 0.86 0.00 0.00 0.81 0.00 0.00 110 H 8.19 4.69 0.00 3.08 3.32 0.00 5.84 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 D 7.86 4.91 0.00 2.69 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 0.00 112 G 8.71 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 0.00 0.00 0.00 113 I 7.94 3.67 1.97 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 1.34 0.53 0.88 0.00 0.00 114 V 7.96 3.72 2.19 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 1.24 0.00 0.00 1.05 0.00 0.00 115 F 8.65 4.07 0.00 3.21 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 0.00 116 A 7.98 3.86 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 0.00 117 E 7.81 3.85 0.00 1.96 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 2.27 2.22 0.00 118 I 6.97 3.12 1.36 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 -0.36 0.70 0.00 0.00 119 L 7.41 3.89 0.00 1.67 1.63 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 120 H 8.23 4.30 0.00 3.27 3.41 0.00 5.78 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.44 4.15 0.00 2.27 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 2.26 2.67 0.00 122 F 8.73 4.24 0.00 3.37 3.27 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 0.00 123 Y 8.40 4.03 0.00 3.18 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 0.00 124 Q 8.22 3.88 0.00 2.34 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 125 R 7.91 3.81 0.00 1.64 1.78 0.00 3.30 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.83 0.00 126 M 7.73 3.93 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.42 0.00 127 E 8.04 3.73 0.00 1.82 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 1.92 1.47 0.00 128 I 7.32 3.59 1.85 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 1.33 0.49 0.80 0.00 0.00 129 L 7.61 3.82 0.00 1.40 1.16 0.66 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 130 N 8.27 4.39 0.00 3.16 2.95 0.00 0.00 7.16 7.97 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 0.00 131 G 7.89 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 V 7.29 4.24 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 0.75 0.00 0.00 0.91 0.00 0.00 133 L 7.46 4.27 0.00 1.63 1.58 0.75 0.63 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 * Residues marked with a * may have inaccurate shift predictions.