NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 V 3.8459 8.0544 114.0526 62.1521 32.8699 171.5271 12 V 2.9109 8.3946 126.4942 61.2094 28.7190 169.6809 13 F 3.8624 8.9281 129.0129 58.5321 40.3592 173.5326 14 G 4.3834 8.3853 122.3251 44.1665 0.0000 171.8740 15 E 3.8774 8.9177 118.5242 59.5156 29.5779 179.8150 16 E 3.8702 7.9711 117.7697 59.6313 29.5113 179.1321 17 Q 3.6702 7.6182 117.3186 58.7015 28.1482 178.4258 18 E 4.1113 7.6470 119.4207 59.4456 29.7391 178.5069 19 A 4.0254 7.9730 120.6098 55.4504 18.4975 179.5199 20 L 3.9818 7.8651 117.2115 57.9181 41.5747 180.0818 21 V 3.3264 7.3910 118.2186 65.7176 31.4259 178.1592 22 L 4.0993 8.1608 119.0062 57.7170 41.6104 179.3365 23 K 3.9908 8.2581 119.7710 59.6498 32.2016 178.9182 24 S 4.3067 8.2271 114.1374 61.3924 62.9027 176.2461 25 W 4.6205 9.0290 132.0871 60.1944 30.2306 177.8399 26 A 3.7983 8.1189 120.2612 54.8074 18.1757 179.5869 27 V 3.5917 7.5344 116.3984 66.5120 31.7004 178.2871 28 M 4.0039 7.9303 118.3130 57.6730 31.8643 178.2811 29 K 2.7962 7.2666 120.3608 59.4146 31.8005 178.5735 30 K 3.8596 7.1197 116.1442 58.2675 32.2550 176.8364 31 D 4.8645 7.9388 118.6383 53.2949 41.8860 177.8918 32 A 3.8818 7.8934 121.5736 54.8261 18.4851 179.3097 33 A 3.9493 7.9570 118.8354 55.5320 18.6376 179.1230 34 N 4.2716 8.1536 114.4558 56.4825 38.9704 176.8320 35 L 4.0328 8.1699 122.2063 58.2300 42.2927 179.2881 36 G 3.9903 8.5518 106.0028 47.6335 0.0000 175.4630 37 L 3.9685 7.9729 122.3004 58.0950 42.1737 179.0017 38 R 3.9338 8.0289 118.5925 59.2927 30.0007 178.1343 39 F 4.7058 8.2599 121.7351 61.0963 39.4734 176.9680 40 F 3.2700 8.0784 115.9960 58.7583 38.6868 177.8411 41 L 4.0236 7.7442 119.5792 57.4012 41.4927 178.9797 42 K 3.8964 7.9480 119.6629 59.4130 32.0877 178.7734 43 V 3.3818 7.1289 118.2026 66.2540 30.7881 178.1583 44 F 4.6247 8.1213 117.3658 60.1756 38.4160 177.4798 45 E 4.0130 8.1465 118.7833 59.3738 29.5578 178.6075 46 I 4.0407 7.7413 118.4647 63.0320 38.6394 176.5590 47 A 4.7143 8.1951 122.4015 48.3853 19.0743 174.1719 48 P 4.4023 0.0000 0.0000 64.3552 31.5716 178.0169 49 S 4.1239 8.2518 112.3035 61.3264 62.7026 176.2158 50 A 4.1044 8.3704 124.3347 54.6566 18.0388 179.6454 51 K 3.5076 7.9811 117.6589 59.3586 31.8211 178.9027 52 Q 4.2260 7.5782 116.1814 57.8489 28.6278 177.7491 53 M 4.2664 7.9087 119.7394 55.3249 32.4826 176.4705 54 F 4.3344 8.4510 116.6206 57.5764 37.1212 176.8498 *64 L 4.3873 8.7649 127.8612 55.8255 43.3043 177.8222 65 E 4.1107 8.0821 117.0770 59.1463 29.6318 178.1940 66 K 4.1739 7.8752 115.2725 56.5369 32.6093 176.0518 67 N 4.6025 7.8861 119.7940 51.9423 38.9367 173.6667 68 P 4.3194 0.0000 0.0000 65.6863 31.5687 178.2381 69 K 4.1225 8.2499 119.5504 59.0562 32.0983 178.6255 70 L 3.7199 7.8579 120.6453 57.8955 42.0523 179.0192 71 K 3.9727 7.9125 117.9557 59.7966 32.1795 179.2043 72 T 3.9119 8.3936 116.3845 66.9108 68.3710 176.1452 73 H 4.0807 8.1161 119.4808 59.2294 29.8914 177.2375 74 A 4.1093 7.7174 122.2733 55.2523 18.1641 179.5787 75 M 4.2865 8.2677 117.3736 58.8312 32.0200 178.8817 76 S 4.1744 7.9546 114.8211 61.7054 63.1265 176.9556 77 V 3.7008 7.7933 120.5777 66.1534 31.2991 178.1516 78 F 4.0334 8.0706 116.8709 60.4594 38.7736 177.8834 79 V 3.2229 8.2224 118.0629 66.3725 31.4463 178.0859 80 M 4.2546 8.3588 118.4687 58.4937 31.6626 178.9632 81 T 3.9220 7.7081 115.8695 66.5492 68.1782 176.4520 82 C 3.8053 7.8212 120.7540 62.2729 31.4905 175.4640 83 E 3.9578 8.1316 120.0807 58.9716 29.0107 178.9668 84 A 3.8440 7.9423 120.8143 54.8335 17.8591 179.3953 85 A 3.0367 7.6677 119.0920 55.0965 18.3686 179.7979 86 A 4.2234 7.3343 119.8134 54.9843 18.4637 179.9558 87 Q 3.9242 8.0270 116.5792 58.8415 28.9007 178.7753 88 L 3.9242 7.8901 120.3421 57.5055 41.2983 179.5727 89 R 4.2487 7.4827 117.2959 59.2219 30.3154 177.9276 90 K 4.2625 8.1092 116.4273 57.6922 32.5438 177.3137 91 A 4.4717 8.1300 118.1080 52.7049 22.0995 177.7263 92 G 4.0150 9.3088 104.7592 45.5271 0.0000 173.5547 93 K 4.1990 7.2084 116.0718 55.7167 35.4388 174.9862 94 V 3.5978 8.2020 119.0886 63.5265 31.7564 174.5848 95 T 4.6617 7.8204 117.3669 60.0842 70.9919 174.8600 96 V 4.0193 8.1240 118.6803 60.8315 29.6501 176.1813 97 R 4.5124 7.5838 115.4614 55.4891 31.8523 175.5074 98 E 4.4396 10.7800 122.3891 56.6295 28.8268 174.7812 99 T 4.2676 7.0595 109.6180 60.3044 71.2766 173.3299 100 T 4.7503 8.3197 116.3859 60.7220 74.0432 174.4309 101 L 3.9806 8.4689 122.7405 58.0883 41.6077 180.2154 102 K 4.0161 7.9347 117.9123 59.2049 32.0591 179.0602 103 R 3.9042 7.9888 118.5192 59.5391 30.0319 178.3372 104 L 4.1778 8.2115 118.7880 57.7166 41.6445 179.5146 105 G 3.8755 8.9084 107.0900 47.3248 0.0000 175.5145 106 A 4.0705 8.2183 123.7933 54.8154 18.3534 179.9211 107 T 3.9012 8.2702 114.4802 67.3670 68.6265 176.8116 108 H 4.2952 8.4486 118.0194 58.4098 28.6061 177.7688 109 L 3.9755 8.2172 122.4386 58.3337 41.8369 178.9634 110 R 3.7991 7.9714 117.1046 59.0619 29.9066 176.9301 111 Y 4.4070 7.8936 114.0055 56.9765 38.2111 175.5971 112 G 3.7677 8.1557 107.9435 46.4002 0.0000 173.9788 113 V 3.8039 7.9160 119.8684 61.5609 32.0147 175.4297 114 A 4.7881 8.4277 129.8239 50.4009 21.6870 176.8235 115 D 4.7541 8.9708 118.4727 58.0885 40.7388 179.7769 116 G 3.7298 8.1775 105.2820 45.9459 0.0000 175.2591 117 H 4.3802 8.1625 118.5117 58.7848 28.6900 177.8736 118 F 4.4276 8.1191 119.2997 60.5467 38.9251 177.5086 119 E 4.2005 8.6404 118.4279 59.4574 29.2768 179.4259 120 V 3.7603 7.9480 118.3398 66.4571 31.4733 178.2735 121 T 3.9701 8.0146 115.3854 66.3383 68.3430 177.1575 122 G 2.9564 8.2083 107.9250 47.2481 0.0000 175.6148 123 F 4.0861 8.4927 122.9144 61.1645 39.4202 177.1516 124 A 3.9344 8.5562 120.8070 54.7538 18.1187 179.2891 125 L 2.9111 7.8957 119.2759 58.1743 42.0256 179.3627 126 L 3.8697 7.4331 118.5890 57.5344 41.6229 179.1085 127 E 3.5188 7.7196 119.2936 59.4626 29.4610 179.1357 128 T 3.8047 7.7671 115.7918 66.5142 68.4656 176.9876 129 I 3.5076 7.4277 121.7705 64.1231 36.8231 178.4493 130 K 2.7183 7.1901 119.5714 58.9350 31.8160 178.5331 131 E 3.8821 7.5737 117.4021 58.4415 29.4014 178.2089 132 A 4.3107 7.2720 118.7681 51.9271 19.8319 177.2975 133 L 4.4019 6.6806 116.3979 52.7797 43.2437 175.0372 134 P 4.2991 0.0000 0.0000 62.6241 32.2055 177.6980 135 A 4.1274 8.6962 124.5539 55.3741 18.6095 179.6737 136 D 4.5475 8.1296 114.8534 57.6222 41.0800 177.6187 137 M 4.2809 7.9847 117.9186 57.0799 32.4157 176.9255 138 W 4.5644 7.6928 127.4366 57.4997 31.5008 175.4027 139 S 4.3074 6.8920 117.7631 56.2675 66.2431 175.7046 140 L 3.6572 8.0105 123.0426 58.1476 41.7700 178.6604 141 E 3.9122 7.8440 118.2711 59.2606 29.3265 178.7676 142 M 4.0201 7.7205 118.4269 58.2848 32.2953 178.0060 143 K 3.7095 7.3463 119.8695 59.5527 32.2675 178.8709 144 K 4.0026 8.0527 118.3156 59.2496 31.9275 179.1277 145 A 4.0246 8.0796 121.0379 55.2316 18.3255 179.8394 146 W 4.1290 8.2902 117.2726 59.8102 29.0544 178.7258 147 A 4.1880 8.3760 120.9890 54.9368 17.6859 179.4274 148 E 3.9191 8.6192 117.7180 59.4882 29.9279 178.6363 149 A 3.6639 8.0744 120.8548 55.3251 18.3661 179.0240 150 Y 3.9579 8.3100 117.8894 60.8112 38.8327 177.9060 151 S 4.0978 8.5384 114.4252 61.7250 62.4723 176.3074 152 Q 3.8770 8.3268 120.9025 58.5366 28.4279 178.2389 153 L 3.7386 7.7481 121.4133 58.0930 42.0211 179.1771 154 V 3.0015 7.2875 117.6497 65.7290 31.2351 177.4929 155 A 3.7962 7.9321 120.4841 55.2868 17.9220 179.3930 156 A 3.8645 7.5421 117.6215 55.3001 18.7316 179.6983 157 I 3.7395 7.5075 118.0954 64.5956 37.2584 178.8767 158 K 3.9377 8.0300 119.4200 59.3730 31.5344 179.2688 159 R 3.9557 7.5979 118.2131 58.5232 29.6589 177.2855 160 E 4.6585 8.0160 117.2578 56.1947 30.0272 176.7281 161 M 4.6963 7.9126 116.7657 55.0000 33.2481 175.3391 162 K 4.7481 7.4950 116.8521 53.4634 36.4410 173.9617 163 P 4.3424 0.0000 0.0000 62.1992 31.7178 176.4173 164 D 4.1292 8.6391 121.9288 54.8343 40.9945 176.5612 *165 A 4.1069 8.5181 126.2035 52.3923 18.8731 175.8806 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 11 V 8.05 3.85 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 0.86 0.00 0.00 0.93 0.00 0.00 12 V 8.39 2.91 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 0.70 0.00 0.00 0.94 0.00 0.00 13 F 8.93 3.86 0.00 3.03 2.97 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 14 G 8.39 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.92 3.88 0.00 2.02 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 2.36 2.41 0.00 16 E 7.97 3.87 0.00 1.93 1.86 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 2.34 2.35 0.00 17 Q 7.62 3.67 0.00 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.89 0.00 0.00 0.00 0.00 0.00 1.95 2.15 0.00 18 E 7.65 4.11 0.00 2.23 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 0.00 2.35 2.41 0.00 19 A 7.97 4.03 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 20 L 7.87 3.98 0.00 1.87 1.78 0.88 0.86 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 21 V 7.39 3.33 1.96 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 -0.07 0.00 0.00 0.56 0.00 0.00 22 L 8.16 4.10 0.00 1.91 1.77 0.96 1.05 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 23 K 8.26 3.99 0.00 1.95 1.94 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.49 7.81 24 S 8.23 4.31 0.00 4.46 4.44 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.03 4.62 0.00 3.84 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.12 3.80 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.53 3.59 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 0.99 0.00 0.00 0.96 0.00 0.00 28 M 7.93 4.00 0.00 1.89 1.89 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.47 0.00 29 K 7.27 2.80 0.00 0.79 1.37 0.00 1.33 0.00 0.00 1.43 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.15 1.10 7.81 30 K 7.12 3.86 0.00 1.80 1.78 0.00 1.73 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.30 7.81 31 D 7.94 4.86 0.00 2.63 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 3.88 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 33 A 7.96 3.95 1.33 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 0.00 0.00 0.00 34 N 8.15 4.27 0.00 2.84 3.12 0.00 0.00 6.66 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 35 L 8.17 4.03 0.00 2.00 1.78 0.31 1.25 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 36 G 8.55 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 37 L 7.97 3.97 0.00 1.84 1.86 0.94 0.63 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 38 R 8.03 3.93 0.00 2.11 2.17 0.00 3.13 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 39 F 8.26 4.71 0.00 3.30 3.30 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 40 F 8.08 3.27 0.00 2.73 2.27 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 41 L 7.74 4.02 0.00 1.95 1.73 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.95 3.90 0.00 1.96 1.98 0.00 1.63 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.53 7.81 43 V 7.13 3.38 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 0.58 0.00 0.00 -0.06 0.00 0.00 44 F 8.12 4.62 0.00 3.06 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 45 E 8.15 4.01 0.00 2.14 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 2.35 2.38 0.00 46 I 7.74 4.04 2.02 0.00 0.00 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 1.49 0.86 0.87 0.00 0.00 47 A 8.20 4.71 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 48 P 0.00 4.40 0.00 2.17 2.13 0.00 3.92 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 2.13 2.18 0.00 49 S 8.25 4.12 0.00 4.09 4.16 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 50 A 8.37 4.10 1.67 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 51 K 7.98 3.51 0.00 1.54 1.46 0.00 1.33 0.00 0.00 1.04 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.30 1.05 7.81 52 Q 7.58 4.23 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.01 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 53 M 7.91 4.27 0.00 1.72 2.04 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 54 F 8.45 4.33 0.00 3.09 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 0.00 0.00 0.00 *64 L 8.76 4.39 0.00 1.67 1.75 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.08 4.11 0.00 1.95 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 0.00 2.33 2.41 0.00 66 K 7.88 4.17 0.00 1.74 1.84 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.42 7.81 67 N 7.89 4.60 0.00 2.71 2.69 0.00 0.00 6.91 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 68 P 0.00 4.32 0.00 2.31 2.30 0.00 3.75 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 2.07 2.02 0.00 69 K 8.25 4.12 0.00 1.85 2.11 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.46 1.61 7.81 70 L 7.86 3.72 0.00 1.72 1.58 1.02 0.20 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 71 K 7.91 3.97 0.00 2.01 1.87 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.68 7.81 72 T 8.39 3.91 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 1.24 0.00 0.00 73 H 8.12 4.08 0.00 3.19 3.19 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.72 4.11 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 0.00 0.00 0.00 0.00 0.00 75 M 8.27 4.29 0.00 2.20 2.39 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.97 0.00 76 S 7.95 4.17 0.00 4.03 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 77 V 7.79 3.70 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 1.13 0.00 0.00 78 F 8.07 4.03 0.00 3.16 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 0.00 0.00 0.00 79 V 8.22 3.22 2.18 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 1.05 0.00 0.00 1.12 0.00 0.00 80 M 8.36 4.25 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.58 0.00 81 T 7.71 3.92 4.58 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 1.44 0.00 0.00 82 C 7.82 3.81 0.00 2.71 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 83 E 8.13 3.96 0.00 2.15 1.92 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 2.30 2.46 0.00 84 A 7.94 3.84 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 85 A 7.67 3.04 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 86 A 7.33 4.22 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 87 Q 8.03 3.92 0.00 2.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 88 L 7.89 3.92 0.00 1.21 1.56 0.26 0.51 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 89 R 7.48 4.25 0.00 2.07 2.15 0.00 3.33 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 90 K 8.11 4.26 0.00 1.87 1.82 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.45 7.81 91 A 8.13 4.47 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 92 G 9.31 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 0.00 0.00 0.00 93 K 7.21 4.20 0.00 1.71 1.71 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.72 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.24 1.25 7.81 94 V 8.20 3.60 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 0.69 0.00 0.00 0.81 0.00 0.00 95 T 7.82 4.66 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 1.22 0.00 0.00 96 V 8.12 4.02 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 0.77 0.00 0.00 0.92 0.00 0.00 97 R 7.58 4.51 0.00 1.86 1.88 0.00 3.03 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 98 E 10.78 4.44 0.00 2.14 2.34 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 2.19 2.28 0.00 99 T 7.06 4.27 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 1.23 0.00 0.00 100 T 8.32 4.75 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 1.21 0.00 0.00 101 L 8.47 3.98 0.00 1.67 1.70 0.88 0.85 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 0.00 102 K 7.93 4.02 0.00 1.85 1.86 0.00 1.56 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.71 7.81 103 R 7.99 3.90 0.00 1.89 2.08 0.00 3.20 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 104 L 8.21 4.18 0.00 1.94 1.80 0.94 0.84 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 0.00 105 G 8.91 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 0.00 0.00 0.00 106 A 8.22 4.07 1.43 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 0.00 0.00 0.00 107 T 8.27 3.90 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 1.17 0.00 0.00 108 H 8.45 4.30 0.00 3.43 3.47 0.00 5.82 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.22 3.98 0.00 1.99 1.88 1.01 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 110 R 7.97 3.80 0.00 1.83 2.11 0.00 3.13 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.44 0.00 111 Y 7.89 4.41 0.00 2.87 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 0.00 112 G 8.16 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 0.00 113 V 7.92 3.80 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 0.12 0.00 0.00 0.87 0.00 0.00 114 A 8.43 4.79 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 0.00 115 D 8.97 4.75 0.00 2.80 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 0.00 116 G 8.18 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 0.00 0.00 0.00 117 H 8.16 4.38 0.00 3.29 3.25 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 0.00 118 F 8.12 4.43 0.00 3.44 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 0.00 119 E 8.64 4.20 0.00 2.25 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 2.46 2.71 0.00 120 V 7.95 3.76 2.13 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 1.11 0.00 0.00 0.98 0.00 0.00 121 T 8.01 3.97 4.63 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 1.32 0.00 0.00 122 G 8.21 2.96 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 0.00 0.00 0.00 123 F 8.49 4.09 0.00 3.14 3.22 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 0.00 124 A 8.56 3.93 1.43 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 0.00 0.00 0.00 125 L 7.90 2.91 0.00 1.06 1.35 -0.53 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 126 L 7.43 3.87 0.00 1.58 1.78 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 127 E 7.72 3.52 0.00 1.57 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 2.11 2.14 0.00 128 T 7.77 3.80 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 1.28 0.00 0.00 129 I 7.43 3.51 1.68 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.03 0.75 0.00 0.00 130 K 7.19 2.72 0.00 0.79 1.13 0.00 1.34 0.00 0.00 1.28 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.65 0.21 7.81 131 E 7.57 3.88 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 2.17 2.32 0.00 132 A 7.27 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 6.68 4.40 0.00 1.77 1.64 0.96 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.30 0.00 2.20 1.99 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 135 A 8.70 4.13 1.33 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 0.00 0.00 0.00 136 D 8.13 4.55 0.00 2.71 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 0.00 137 M 7.98 4.28 0.00 2.14 2.32 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 2.67 2.53 0.00 138 W 7.69 4.56 0.00 3.29 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 0.00 139 S 6.89 4.31 0.00 3.89 3.81 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 0.00 140 L 8.01 3.66 0.00 1.58 1.59 0.86 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 141 E 7.84 3.91 0.00 1.92 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 0.00 2.31 2.24 0.00 142 M 7.72 4.02 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.83 0.00 143 K 7.35 3.71 0.00 1.10 1.69 0.00 1.87 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.67 7.81 144 K 8.05 4.00 0.00 1.94 1.84 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.57 7.81 145 A 8.08 4.02 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 0.00 146 W 8.29 4.13 0.00 3.46 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 0.00 147 A 8.38 4.19 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 0.00 148 E 8.62 3.92 0.00 2.42 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 0.00 2.40 2.62 0.00 149 A 8.07 3.66 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 0.00 150 Y 8.31 3.96 0.00 3.11 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 0.00 151 S 8.54 4.10 0.00 4.14 4.05 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 0.00 152 Q 8.33 3.88 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 153 L 7.75 3.74 0.00 1.73 1.58 0.83 0.62 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 0.00 154 V 7.29 3.00 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 0.28 0.00 0.00 0.11 0.00 0.00 155 A 7.93 3.80 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 0.00 156 A 7.54 3.86 1.27 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 0.00 157 I 7.51 3.74 1.73 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 1.49 0.82 0.92 0.00 0.00 158 K 8.03 3.94 0.00 1.64 1.80 0.00 1.74 0.00 0.00 1.27 0.00 0.00 2.73 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.12 1.29 7.81 159 R 7.60 3.96 0.00 1.92 2.03 0.00 3.20 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 160 E 8.02 4.66 0.00 2.11 1.92 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 2.23 2.46 0.00 161 M 7.91 4.70 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.68 0.00 162 K 7.50 4.75 0.00 1.68 1.67 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.44 7.81 163 P 0.00 4.34 0.00 2.04 1.98 0.00 3.69 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 2.03 2.10 0.00 164 D 8.64 4.13 0.00 2.66 2.64 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 *165 A 8.52 4.11 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 * Residues marked with a * may have inaccurate shift predictions.