NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5339 8.3349 115.5446 58.0184 64.7904 172.9465 3 I 3.5453 8.4713 124.1205 60.5575 38.2163 173.5061 4 K 4.7709 10.1221 128.3508 55.3467 33.9793 175.5671 5 V 4.8961 8.8392 125.5971 61.2567 34.3866 174.0029 6 C 5.3315 9.0920 124.6284 58.0332 31.5749 172.8317 7 I 4.9339 8.4225 122.0489 59.4447 40.3344 174.4137 8 A 5.0189 8.8196 128.3113 50.4651 21.5660 174.7660 9 D 4.6590 8.6905 120.0310 53.7816 45.0920 175.8818 10 D 4.9085 8.9549 122.6354 53.2944 40.3610 176.5053 11 N 4.6177 8.6137 120.1615 52.8312 39.0438 175.1920 12 R 4.0159 8.3403 128.5457 59.1846 30.2723 178.7698 13 E 3.9888 8.1924 118.0457 59.2910 29.4905 178.9959 14 L 4.0208 8.3771 120.4093 58.0473 42.1716 178.9971 15 V 3.6610 8.0243 118.2834 66.1938 31.3745 177.9167 16 S 4.1644 8.1906 112.7171 61.4487 62.1903 176.1310 17 L 4.0436 8.0825 121.6403 57.7590 41.2729 179.5095 18 L 4.1202 8.4706 119.3780 57.7995 41.5221 178.9973 19 D 4.3305 8.5952 118.3506 57.3099 41.2927 177.7929 20 E 3.9203 8.4263 119.8972 59.4922 29.4450 178.1312 21 Y 3.9681 8.0129 117.9311 60.8338 39.2636 177.6564 22 I 3.8395 8.2376 120.9955 64.6624 37.0347 178.6245 23 S 4.1523 8.2222 115.2157 61.3610 62.7004 176.3226 24 S 4.2422 7.4529 114.4593 58.8269 63.3975 174.4219 25 Q 4.1096 7.3946 123.7206 54.7191 29.1608 175.3874 26 P 4.2312 0.0000 0.0000 64.8953 31.9770 176.7014 27 D 4.7869 7.9628 117.2983 53.0351 39.6246 174.9994 28 M 5.4253 7.5166 117.9508 54.3476 36.4504 174.2190 29 E 4.6855 8.8954 117.2513 55.0930 33.6259 174.2016 30 V 4.5642 8.3826 122.6119 62.3095 32.0211 175.3816 31 I 4.3439 8.3677 121.3024 60.4819 38.6602 175.6908 32 G 4.2006 7.3421 107.8955 46.0758 0.0000 172.6367 33 T 5.2727 8.4897 110.9847 59.7558 72.2878 172.8405 34 A 4.4219 8.7249 123.6125 50.8025 22.8173 176.3470 35 Y 5.1679 8.6714 115.5857 57.1359 39.2115 174.9319 36 N 5.0074 7.6222 117.5120 50.5410 41.6209 175.3828 37 G 3.9809 8.2432 107.8871 47.5283 0.0000 176.1551 38 Q 4.0387 8.4584 120.6400 58.9616 28.6908 178.6380 39 D 4.4000 9.0375 120.2792 57.1661 40.7706 178.4314 40 C 4.0560 8.0013 119.4660 62.5028 31.3880 175.6438 41 L 3.9920 7.7433 119.2512 57.7248 41.5324 178.9947 42 Q 4.0782 8.1400 119.5511 59.4431 28.9980 177.9372 43 M 4.0242 8.3826 119.5866 58.6701 32.0157 177.9974 44 L 4.2053 7.8010 117.7106 57.0367 41.8733 178.7635 45 E 4.1336 7.8742 118.2605 58.7739 29.4798 178.1270 46 E 4.3473 8.1037 116.7809 56.1594 30.4706 176.1784 47 K 4.6977 7.7275 116.9817 54.7333 35.2225 176.3482 48 R 4.6810 7.9896 117.9397 53.9253 30.2336 173.7867 49 P 4.5430 0.0000 0.0000 62.5438 32.9996 177.3065 50 D 4.7369 9.0195 120.3103 56.8905 42.0966 176.6558 51 I 5.1491 7.7318 117.8041 59.2397 41.5726 174.2435 52 L 5.1104 8.8293 127.9660 53.2544 44.9250 174.8275 53 L 4.8861 8.8000 126.8628 53.6902 43.4186 175.5651 54 L 4.6764 8.5267 126.0720 53.7364 45.9435 176.3486 *56 I 3.9992 8.3868 117.8908 61.5071 38.6998 176.4631 57 I 4.1727 7.4927 126.5388 61.5703 35.8521 175.2082 58 M 4.8288 7.8814 123.5588 52.8267 35.7691 173.4509 59 P 4.3721 0.0000 0.0000 62.8732 33.1532 175.1404 60 H 4.1151 9.4234 113.1130 56.3770 26.0490 172.5138 61 L 4.0342 7.8023 121.6731 55.3113 40.9240 174.8681 62 D 5.2075 8.3379 123.6983 52.0176 42.4514 177.3078 63 G 3.6513 8.9846 106.1968 47.9171 0.0000 175.9365 64 L 4.0273 8.0306 120.5087 57.4589 41.7368 179.1231 65 A 4.0139 8.2408 120.8233 54.8677 18.2103 179.7578 66 V 3.4981 7.7931 116.7985 66.1648 31.6331 177.8912 67 L 3.9415 8.0564 118.9028 58.0870 41.6873 179.2304 68 E 3.9274 8.1950 118.7109 59.5554 29.3338 179.1418 69 R 3.9793 7.9546 116.8835 59.1493 30.3663 178.8583 70 I 3.8520 8.0067 119.9111 64.4099 36.9106 178.4545 71 R 3.9040 7.8174 118.1451 59.2232 29.9994 177.8950 72 A 4.2860 7.9419 118.4568 54.1877 18.9765 178.5747 73 G 3.8282 7.9093 107.1700 45.3345 0.0000 175.0904 *76 H 4.3846 8.6215 126.1420 56.0936 29.9131 172.3540 77 Q 4.5488 8.2039 126.0060 53.4398 30.2924 174.1168 78 P 4.6948 0.0000 0.0000 62.7365 32.7462 175.2494 79 N 4.6867 9.2720 118.5383 52.8928 40.0981 174.4411 80 V 4.7025 8.3778 122.7318 61.2801 34.1703 174.0862 81 I 4.9021 8.6134 129.1681 59.6392 39.3946 175.0008 82 M 4.3185 8.6080 128.0589 55.2375 33.0272 175.7419 83 L 4.7281 8.5172 125.1613 53.5508 43.5660 174.9460 84 T 4.7824 8.4993 118.6021 60.2957 70.9836 174.1026 85 A 4.1719 8.8797 127.8243 53.9586 19.2584 178.4254 86 F 4.3025 8.4088 120.7010 56.8168 38.0732 176.2017 87 G 4.0194 7.5364 117.7642 44.5384 0.0000 172.3388 88 Q 3.9379 7.4208 119.5750 55.3677 31.0861 174.9289 89 E 3.8587 8.7265 125.9840 60.1060 29.6095 179.6638 90 D 4.4409 8.5959 118.4318 56.8922 40.7842 179.0818 91 V 3.7280 7.9152 119.0141 65.9541 31.7670 177.9659 92 T 3.3808 7.7710 109.6585 64.5772 68.4520 176.3310 93 K 3.8597 7.6001 121.7998 58.9837 32.1259 178.6931 94 K 3.9554 8.2203 119.7262 59.2554 32.0171 178.7017 95 A 4.0600 8.3889 121.6580 55.2110 18.4116 180.0499 96 V 3.5868 7.7867 117.5964 64.8695 31.2583 178.1156 97 E 3.9663 8.1751 119.2384 58.9070 29.5757 178.0389 98 L 4.3644 7.9620 116.2299 54.9844 41.9547 177.5635 99 G 3.9966 7.9122 107.5263 44.8532 0.0000 174.0075 100 A 4.1734 7.8865 122.7505 52.3261 18.9536 178.4426 101 S 4.4837 9.0050 118.6928 61.5841 63.9145 173.5020 102 Y 4.7928 7.7073 118.4518 56.9203 42.6733 173.3392 103 F 4.9436 7.4228 123.4612 57.0508 42.1370 173.1142 104 I 4.6846 8.7889 127.8994 59.4857 39.8193 175.3720 105 L 4.9634 8.6636 126.2388 54.2797 42.8563 176.4759 106 K 4.8214 8.6104 121.7693 55.0221 33.2248 175.3201 107 P 4.6351 0.0000 0.0000 62.2686 32.3953 175.0812 108 F 5.0213 7.8487 113.6248 54.5897 41.2716 173.7707 109 D 4.7097 8.4719 119.6620 52.9305 43.0456 176.7165 110 M 3.9075 8.4033 126.4557 58.6014 31.8289 178.7216 111 E 4.0280 8.9479 118.9322 59.4014 29.6709 178.9178 112 N 4.3183 8.6249 117.1865 56.4871 38.9513 176.6246 113 L 3.9857 8.2765 121.6949 58.2129 42.2070 178.8795 114 A 4.0603 8.3515 120.8612 55.2814 18.2704 178.9034 115 H 4.0536 8.4683 116.9255 60.0417 29.8326 177.2831 116 H 3.9937 8.2373 117.7071 58.4671 28.4102 177.8641 117 I 3.7030 7.9302 122.0206 64.5194 36.9857 178.5707 118 R 3.9801 7.9866 118.6750 59.4559 29.6851 179.2271 119 Q 3.9500 7.9057 116.6637 58.9327 28.4478 178.7229 120 V 3.7252 8.1071 119.6521 66.0054 31.3450 177.4160 121 Y 4.2711 8.0965 118.5276 60.5254 38.6985 177.4706 122 G 3.8960 7.7810 103.9887 43.7543 0.0000 173.7353 123 K 4.2752 6.9299 119.2887 56.3958 33.5411 177.3129 124 T 3.9140 8.3409 111.0951 62.8709 69.4211 176.0480 125 T 3.6157 7.8477 110.3668 60.7973 67.0951 169.4684 126 P 4.3479 0.0000 0.0000 64.5450 31.7075 176.6748 127 V 4.3545 7.5599 118.0294 60.9772 33.1714 175.5733 128 V 4.0371 8.1159 118.7985 61.6697 32.4280 175.3027 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 2 S 8.33 4.53 0.00 3.93 3.89 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 3 I 8.47 3.55 1.60 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.05 0.68 0.00 0.00 4 K 10.12 4.77 0.00 1.64 1.72 0.00 1.60 0.00 0.00 1.53 0.00 0.00 2.75 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.52 7.81 5 V 8.84 4.90 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 1.11 0.00 0.00 0.95 0.00 0.00 6 C 9.09 5.33 0.00 2.84 2.74 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 0.00 0.00 0.00 0.00 7 I 8.42 4.93 1.83 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 1.16 0.85 0.91 0.00 0.00 8 A 8.82 5.02 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 9 D 8.69 4.66 0.00 2.74 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 10 D 8.95 4.91 0.00 2.87 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 11 N 8.61 4.62 0.00 2.82 3.00 0.00 0.00 7.14 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 12 R 8.34 4.02 0.00 1.74 1.78 0.00 2.92 0.00 0.00 2.93 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.22 0.00 13 E 8.19 3.99 0.00 2.16 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 0.00 2.40 2.31 0.00 14 L 8.38 4.02 0.00 1.84 1.90 1.12 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.02 3.66 2.49 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 0.98 0.00 0.00 1.14 0.00 0.00 16 S 8.19 4.16 0.00 4.01 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 17 L 8.08 4.04 0.00 1.95 1.75 0.91 0.47 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 18 L 8.47 4.12 0.00 1.91 1.80 1.02 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.60 4.33 0.00 2.80 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 20 E 8.43 3.92 0.00 2.10 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 2.37 2.35 0.00 21 Y 8.01 3.97 0.00 3.05 3.06 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 22 I 8.24 3.84 1.98 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 1.65 1.01 0.91 0.00 0.00 23 S 8.22 4.15 0.00 4.00 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 24 S 7.45 4.24 0.00 3.93 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 0.00 25 Q 7.39 4.11 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.85 0.00 0.00 0.00 0.00 0.00 2.10 2.24 0.00 26 P 0.00 4.23 0.00 2.14 2.14 0.00 3.67 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 1.95 1.91 0.00 27 D 7.96 4.79 0.00 2.74 2.85 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 28 M 7.52 5.43 0.00 1.78 2.02 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 2.44 2.36 0.00 29 E 8.90 4.69 0.00 1.96 1.95 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 2.15 2.23 0.00 30 V 8.38 4.56 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 0.84 0.00 0.00 0.97 0.00 0.00 31 I 8.37 4.34 1.86 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 1.15 0.80 0.90 0.00 0.00 32 G 7.34 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 0.00 0.00 0.00 0.00 33 T 8.49 5.27 4.00 0.00 0.00 0.00 0.00 0.00 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 34 A 8.72 4.42 1.11 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 0.00 0.00 35 Y 8.67 5.17 0.00 3.07 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 36 N 7.62 5.01 0.00 3.28 2.95 0.00 0.00 6.09 6.94 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 37 G 8.24 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 38 Q 8.46 4.04 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 39 D 9.04 4.40 0.00 2.86 2.69 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 40 C 8.00 4.06 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 41 L 7.74 3.99 0.00 1.81 1.71 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.14 4.08 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 43 M 8.38 4.02 0.00 2.23 2.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 44 L 7.80 4.21 0.00 1.79 1.71 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 45 E 7.87 4.13 0.00 2.16 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 2.34 2.49 0.00 46 E 8.10 4.35 0.00 1.92 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 0.00 2.25 2.38 0.00 47 K 7.73 4.70 0.00 1.78 1.69 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.49 7.81 48 R 7.99 4.68 0.00 1.72 1.80 0.00 3.35 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 49 P 0.00 4.54 0.00 2.37 2.05 0.00 3.79 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 2.00 1.99 0.00 50 D 9.02 4.74 0.00 2.84 3.06 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 51 I 7.73 5.15 1.88 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.15 0.92 0.00 0.00 52 L 8.83 5.11 0.00 1.72 1.47 0.92 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.80 4.89 0.00 1.58 1.48 0.89 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.53 4.68 0.00 1.65 1.41 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 *56 I 8.39 4.00 1.89 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.52 0.89 0.00 0.00 57 I 7.49 4.17 1.85 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.35 0.85 0.00 0.00 58 M 7.88 4.83 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 59 P 0.00 4.37 0.00 2.04 2.09 0.00 3.86 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 60 H 9.42 4.12 0.00 3.37 3.32 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.80 4.03 0.00 1.90 1.91 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.34 5.21 0.00 3.13 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 63 G 8.98 3.65 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 0.00 0.00 0.00 64 L 8.03 4.03 0.00 1.71 1.74 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.24 4.01 1.36 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 0.00 0.00 66 V 7.79 3.50 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 1.08 0.00 0.00 0.99 0.00 0.00 67 L 8.06 3.94 0.00 1.99 1.73 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.19 3.93 0.00 2.13 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 0.00 2.31 2.36 0.00 69 R 7.95 3.98 0.00 1.97 1.98 0.00 3.38 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 70 I 8.01 3.85 2.01 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 1.40 0.90 0.90 0.00 0.00 71 R 7.82 3.90 0.00 1.82 2.11 0.00 3.26 0.00 0.00 3.38 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 72 A 7.94 4.29 1.36 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 0.00 0.00 73 G 7.91 3.83 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 0.00 0.00 0.00 *76 H 8.62 4.38 0.00 3.15 3.30 0.00 5.72 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.20 4.55 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 78 P 0.00 4.69 0.00 2.08 2.26 0.00 3.75 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 2.00 0.00 79 N 9.27 4.69 0.00 2.69 2.80 0.00 0.00 6.90 7.72 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 80 V 8.38 4.70 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 1.04 0.00 0.00 0.92 0.00 0.00 81 I 8.61 4.90 1.85 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 1.31 0.70 0.93 0.00 0.00 82 M 8.61 4.32 0.00 1.24 0.79 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 83 L 8.52 4.73 0.00 1.32 1.34 0.30 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.50 4.78 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 0.92 0.00 0.00 85 A 8.88 4.17 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 86 F 8.41 4.30 0.00 3.01 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 87 G 7.54 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 88 Q 7.42 3.94 0.00 1.59 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 89 E 8.73 3.86 0.00 1.97 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 0.00 2.34 2.32 0.00 90 D 8.60 4.44 0.00 2.82 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 91 V 7.92 3.73 2.38 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 1.45 0.00 0.00 1.23 0.00 0.00 92 T 7.77 3.38 3.78 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 0.49 0.00 0.00 93 K 7.60 3.86 0.00 1.95 1.99 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.42 7.81 94 K 8.22 3.96 0.00 2.08 2.00 0.00 1.59 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.53 7.81 95 A 8.39 4.06 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 96 V 7.79 3.59 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 0.87 0.00 0.00 0.94 0.00 0.00 97 E 8.18 3.97 0.00 2.07 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 2.33 2.36 0.00 98 L 7.96 4.36 0.00 1.73 1.70 0.94 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 99 G 7.91 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.89 4.17 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 0.00 101 S 9.01 4.48 0.00 3.92 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.71 4.79 0.00 3.01 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 0.00 103 F 7.42 4.94 0.00 2.88 2.50 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 0.00 104 I 8.79 4.68 1.78 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 1.43 1.22 0.93 0.00 0.00 105 L 8.66 4.96 0.00 1.62 1.68 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 106 K 8.61 4.82 0.00 1.75 1.87 0.00 1.86 0.00 0.00 1.88 0.00 0.00 3.11 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.77 1.50 7.81 107 P 0.00 4.64 0.00 2.12 2.02 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 108 F 7.85 5.02 0.00 3.13 3.23 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 0.00 109 D 8.47 4.71 0.00 2.79 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 0.00 110 M 8.40 3.91 0.00 0.51 1.49 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 111 E 8.95 4.03 0.00 2.24 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 0.00 2.37 2.51 0.00 112 N 8.62 4.32 0.00 2.98 3.03 0.00 0.00 6.87 6.82 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 0.00 113 L 8.28 3.99 0.00 1.77 1.86 0.79 0.81 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 0.00 114 A 8.35 4.06 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 0.00 115 H 8.47 4.05 0.00 3.22 3.46 0.00 5.79 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 0.00 116 H 8.24 3.99 0.00 3.17 3.10 0.00 5.68 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 7.93 3.70 2.05 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 1.53 0.88 0.90 0.00 0.00 118 R 7.99 3.98 0.00 2.00 2.00 0.00 3.15 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 119 Q 7.91 3.95 0.00 1.86 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.96 0.00 0.00 0.00 0.00 0.00 2.33 2.12 0.00 120 V 8.11 3.73 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 1.03 0.00 0.00 0.95 0.00 0.00 121 Y 8.10 4.27 0.00 3.01 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 0.00 122 G 7.78 3.90 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 0.00 0.00 0.00 123 K 6.93 4.28 0.00 1.90 1.80 0.00 1.61 0.00 0.00 1.93 0.00 0.00 3.21 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.34 7.81 124 T 8.34 3.91 4.22 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 1.19 0.00 0.00 125 T 7.85 3.62 4.22 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 1.28 0.00 0.00 126 P 0.00 4.35 0.00 2.20 2.17 0.00 3.52 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 1.98 2.07 0.00 127 V 7.56 4.35 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 0.84 0.00 0.00 0.93 0.00 0.00 128 V 8.12 4.04 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 0.75 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.