NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.2296 8.2649 122.4590 52.6346 19.9758 173.7118 10 R 4.0079 8.4769 124.0354 56.7561 30.0101 177.5807 11 N 5.2939 9.1623 123.4659 51.0906 43.0392 172.2511 12 P 5.1577 0.0000 0.0000 62.2366 32.0999 175.5818 13 I 4.2400 7.7766 113.2035 59.3152 39.3807 174.9115 14 Y 4.6743 8.1927 122.0122 55.7624 40.2735 176.1468 15 F 4.2968 9.4725 123.9466 61.6820 38.9965 177.5108 16 E 3.8593 8.3293 117.4096 58.9232 29.6701 178.9780 17 S 4.1564 7.9623 115.4970 60.8628 63.1328 174.6990 18 I 4.0507 7.2245 122.3157 60.6122 37.5107 175.1997 19 Q 4.4996 9.5205 123.8681 53.5718 30.7950 175.1502 20 I 3.7904 8.2032 121.9486 63.0756 37.4932 175.6682 21 G 4.0812 8.7567 113.3011 45.5432 0.0000 174.1931 22 E 4.1746 8.0879 119.9107 56.3123 30.4567 176.0860 23 K 5.1711 8.6550 124.3075 54.6786 35.5302 174.8521 24 I 4.5413 9.1966 127.5510 59.4867 39.9537 174.0228 25 E 4.7006 8.8382 128.1024 54.4293 30.5871 175.7089 26 G 3.9438 8.7662 115.0590 45.4484 0.0000 172.3160 27 L 4.3737 8.2494 122.7769 53.4276 42.7843 174.9605 28 P 4.8437 0.0000 0.0000 62.9356 32.3952 175.8649 29 R 4.7121 8.4593 117.7676 55.0627 33.3348 174.1361 30 T 4.7524 8.4730 118.7673 62.9074 69.1346 174.9484 31 V 3.9566 8.6363 128.0485 62.0226 32.3125 175.5129 32 T 4.8386 8.8291 117.5476 59.2744 71.0375 174.1771 33 E 4.0913 8.8522 123.2955 59.8624 29.4119 178.5106 34 T 3.9728 8.0352 115.1129 66.8882 68.4537 175.9339 35 D 4.3692 7.9986 119.9414 57.4536 40.9427 178.6354 36 I 3.7344 7.8937 120.0421 64.4059 37.2118 178.5883 37 W 3.2497 8.9413 119.9718 59.7008 28.6893 178.7225 38 T 3.8006 8.1739 116.0055 66.6069 67.9408 176.4228 39 F 3.9315 8.1899 122.2831 61.1106 39.2762 177.0074 40 A 3.5418 7.7802 120.4426 55.0010 17.9375 179.1449 41 Y 4.3939 8.0068 115.5171 61.4038 37.8253 178.4697 42 L 3.9406 7.9882 120.2848 57.9981 42.2187 178.2372 43 T 4.1195 7.4482 105.8353 60.3047 69.2647 174.1247 44 A 3.8785 7.5339 123.1475 53.4251 16.8260 176.8899 45 D 4.7663 7.6748 119.2180 54.4220 42.2088 176.5361 46 F 4.2730 8.4224 130.1299 55.7254 38.1548 176.4765 47 F 4.0336 8.1016 123.4475 57.3191 40.2488 173.8073 48 P 3.8406 0.0000 0.0000 65.5651 30.5618 178.0854 49 L 4.1754 7.0945 120.0091 57.4800 42.3390 177.8037 50 H 4.7221 8.2368 115.1259 56.6971 29.6623 175.7713 51 T 4.4465 7.6463 106.0680 60.7710 69.3244 173.2085 52 D 4.7769 8.2234 122.1665 52.0298 41.7910 175.9312 53 V 3.7366 8.7101 126.6324 66.2474 31.2267 177.3898 54 E 4.0529 8.2696 116.4558 59.2961 29.7186 178.6591 55 F 4.1868 8.9371 120.6318 61.3368 39.5283 176.8228 56 A 4.2600 8.4774 120.4559 55.4677 17.8765 179.5393 57 K 4.4127 7.5339 116.3388 58.7493 32.2165 178.0961 58 K 4.2088 7.6883 115.6572 56.6725 32.1794 176.6228 59 T 4.3973 7.5740 110.9490 59.6873 70.5859 175.4102 60 I 3.7233 8.0241 120.8103 62.8476 37.9794 176.1513 61 F 4.7160 7.9889 117.1992 57.6195 40.0959 176.7547 62 G 4.3943 8.4702 113.6088 45.2569 0.0000 173.6144 63 K 5.0223 7.8531 116.4146 53.2146 35.0900 173.7808 64 P 4.8372 0.0000 0.0000 62.6319 32.2063 175.2248 65 I 4.7578 7.5744 111.8457 58.6586 40.6864 174.9074 66 A 4.1096 8.4323 125.0357 51.8050 19.2093 177.5910 67 Q 3.5865 8.1062 118.7103 54.5987 30.4466 179.0802 68 G 2.8717 7.8849 111.8402 45.2424 0.0000 175.4114 *70 L 3.2514 8.1541 122.3939 54.2844 43.8102 178.7702 71 V 3.5011 7.3592 117.6387 65.7574 31.2085 177.7478 72 L 3.9213 7.9900 120.0345 58.2097 42.0054 179.0898 73 S 4.0906 7.8819 114.5168 61.8051 62.6523 176.6286 74 I 3.6738 7.8379 121.1925 64.2218 36.8421 178.0432 75 A 4.0637 7.8818 120.7568 55.3072 18.5643 179.1611 76 L 3.9922 8.2140 117.3380 57.7373 41.6315 180.5880 77 G 3.7938 7.9200 102.6955 45.2995 0.0000 175.4105 *79 V 3.9917 7.7420 122.3584 62.5484 33.4432 177.1091 80 D 4.2447 8.0911 118.6667 57.1544 40.6598 177.7967 81 Q 4.0385 8.0896 120.3580 59.1663 28.7122 178.7291 82 V 3.6026 7.3452 118.5989 65.8649 31.8762 177.8655 83 I 4.0432 7.6760 119.0735 64.5653 36.8815 178.0630 84 L 4.0462 8.2286 119.0295 57.2144 41.4616 178.2851 85 S 4.6638 7.4425 110.4046 58.1263 63.2490 174.0253 86 N 4.8151 8.2422 117.2456 53.0383 40.9368 173.4161 87 Y 4.9415 7.6639 114.2199 56.1894 42.9923 174.4700 88 D 4.5600 8.5874 121.0235 53.1587 42.1179 176.5749 89 V 3.9588 8.2700 119.6923 61.6325 31.4712 178.7036 90 S 4.2143 8.2048 117.4627 60.7513 63.0763 175.4185 91 S 4.1615 7.8111 114.8853 59.4957 63.3410 173.5427 92 V 4.1900 7.3721 121.7164 62.4270 30.2009 175.9763 93 I 4.0441 8.5165 128.6359 63.8345 37.3844 176.2500 94 A 4.6205 7.6846 120.9795 50.7753 22.8373 174.9453 95 F 4.8855 8.8169 122.3621 57.6471 39.1216 175.4139 96 F 4.0565 9.6896 129.8530 59.4904 39.4428 175.3400 97 G 3.8959 7.5548 101.5330 46.0317 0.0000 171.3310 98 I 5.0447 8.2194 119.7200 59.3815 38.8865 175.8908 99 K 4.2157 9.1224 130.1922 59.0502 33.0155 176.7034 100 D 4.7180 7.8224 117.7023 53.0565 44.7665 174.3945 101 V 4.7100 8.1777 124.3866 61.3861 34.7691 174.0536 102 R 4.3210 9.0565 126.9913 54.3478 33.0599 175.0019 103 F 4.7685 8.5149 123.5398 56.8120 38.5183 175.9281 104 L 4.2834 8.7886 124.3562 56.9147 41.7922 177.6699 105 R 4.7544 7.7024 116.3054 53.4292 33.2420 172.7070 106 P 4.3431 0.0000 0.0000 62.4653 32.7893 175.3936 107 V 4.2823 7.7502 121.1381 61.3738 33.4671 175.0126 108 F 4.9091 9.4204 127.2697 56.1961 40.4470 177.0936 109 I 3.6621 8.9124 121.4124 63.9819 36.9654 177.2272 110 G 4.1061 7.9956 106.1239 45.0466 0.0000 172.9784 111 D 4.8660 8.3445 120.5467 53.9276 42.3116 175.6566 112 T 4.9608 8.5192 118.1183 62.0223 70.8866 173.2542 113 I 4.6680 8.3312 120.3906 59.4697 40.4735 174.6900 114 A 4.9690 9.1803 125.2183 50.2699 22.3739 174.8992 115 A 5.3964 8.6742 123.2521 50.1816 22.7272 175.2510 116 S 5.1492 9.3210 113.6279 56.6261 67.0505 172.7836 117 A 5.4012 9.0897 123.1262 50.2627 22.3851 174.6065 118 E 5.0930 9.1051 121.7869 54.1099 33.4658 174.9132 119 V 3.7525 8.8468 127.5385 63.1256 32.0083 176.4130 120 V 4.3045 8.4538 120.3807 61.2248 33.8906 175.2462 121 E 4.7226 7.5422 119.7351 55.0839 33.0355 173.7714 122 K 5.1959 8.3741 122.9706 54.9834 36.3340 175.4403 123 Q 4.6575 9.3337 124.8885 54.2122 32.6497 173.8405 124 D 4.5780 8.9009 125.1309 54.5592 41.8432 174.5086 125 F 4.6298 8.6271 123.8025 59.2183 41.6740 174.2644 126 D 4.5151 7.9467 117.5017 52.2990 41.7610 175.0826 127 E 4.2062 8.7264 115.9041 58.3068 29.8594 177.2545 128 K 4.5136 8.1968 118.2979 56.1247 33.7649 175.1080 129 S 4.8487 7.5792 111.5115 57.7525 66.7502 174.2542 130 G 3.2154 8.0441 106.6228 44.2842 0.0000 171.6483 131 V 4.6756 8.1377 113.8944 59.4618 33.9400 175.2826 132 V 4.7268 8.6566 124.8855 61.4325 34.1022 174.2211 133 T 4.9685 8.6825 124.2106 62.0059 71.0987 172.9668 134 Y 4.9285 8.9918 123.4618 55.9147 41.6970 174.4405 135 K 4.8230 9.0747 124.1788 54.8694 34.2973 174.5848 136 L 5.2391 9.5304 131.1153 53.7737 44.3912 174.8930 137 E 5.1177 9.4242 124.9548 54.5920 33.7509 174.5380 138 V 4.8787 8.8397 124.1258 61.0519 34.3189 174.4080 139 K 5.2203 9.3764 127.1402 54.6863 36.2583 175.8172 140 N 5.1924 8.9316 120.9224 50.6625 39.8730 175.5949 141 Q 4.0811 8.8852 115.8233 58.7461 28.4380 177.6792 142 R 4.3816 8.2843 115.4101 55.7967 29.9026 178.5535 143 G 4.0047 8.1444 107.6429 46.9076 0.0000 175.0547 144 E 3.9782 7.7169 119.9851 56.2498 29.9678 176.0414 145 L 4.6859 8.3620 124.7003 54.6570 42.2861 176.3664 146 V 4.2433 8.6905 120.8315 62.9099 33.3780 176.0892 147 L 5.1268 7.5983 120.3386 53.9797 45.8073 174.4690 148 T 5.1703 8.6488 117.9467 60.8357 71.3060 172.2220 149 A 5.0417 8.7930 126.9615 51.2479 23.7429 174.7750 150 L 5.3735 9.3316 121.6737 53.5119 44.8516 175.0591 151 Y 5.7167 8.8586 123.7914 55.4855 42.2128 174.2709 152 S 5.4085 9.8621 114.0665 56.8208 66.9664 172.6448 153 A 5.3366 9.1559 122.9036 50.2023 22.8270 174.8747 154 L 4.6628 9.0377 123.5426 53.7283 43.5247 175.3505 155 I 4.9916 8.2623 120.3661 58.5878 40.7647 175.1899 156 R 4.5613 9.1205 125.7354 56.9260 31.0723 175.7198 157 K 5.1491 8.6815 124.8313 54.5811 33.7051 177.0360 158 T 2.9404 8.4756 119.4326 63.0536 68.9943 172.8945 159 P 4.3539 0.0000 0.0000 63.0543 31.5668 176.0666 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 9 A 8.26 4.23 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 10 R 8.48 4.01 0.00 1.70 1.36 0.00 2.94 0.00 0.00 3.13 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 11 N 9.16 5.29 0.00 2.70 2.76 0.00 0.00 6.57 8.03 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 12 P 0.00 5.16 0.00 1.65 1.93 0.00 3.39 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 13 I 7.78 4.24 1.59 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.47 0.22 0.00 0.00 14 Y 8.19 4.67 0.00 3.13 3.16 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 15 F 9.47 4.30 0.00 3.15 3.17 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 16 E 8.33 3.86 0.00 2.13 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 0.00 2.43 2.29 0.00 17 S 7.96 4.16 0.00 4.01 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 18 I 7.22 4.05 1.66 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.72 0.77 0.00 0.00 19 Q 9.52 4.50 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.91 0.00 0.00 0.00 0.00 0.00 2.35 2.22 0.00 20 I 8.20 3.79 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.40 0.85 0.00 0.00 21 G 8.76 4.08 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 0.00 0.00 0.00 22 E 8.09 4.17 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 2.32 2.50 0.00 23 K 8.65 5.17 0.00 1.73 1.65 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.64 7.81 24 I 9.20 4.54 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.64 0.94 0.00 0.00 25 E 8.84 4.70 0.00 1.95 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 2.21 2.36 0.00 26 G 8.77 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 0.00 0.00 0.00 27 L 8.25 4.37 0.00 1.61 1.58 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.84 0.00 1.98 1.97 0.00 3.72 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 29 R 8.46 4.71 0.00 1.82 1.96 0.00 2.76 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 30 T 8.47 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 1.33 0.00 0.00 31 V 8.64 3.96 2.05 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 0.71 0.00 0.00 0.89 0.00 0.00 32 T 8.83 4.84 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 1.38 0.00 0.00 33 E 8.85 4.09 0.00 2.05 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 2.01 2.12 0.00 34 T 8.04 3.97 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 1.25 0.00 0.00 35 D 8.00 4.37 0.00 2.97 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 36 I 7.89 3.73 2.28 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.99 0.76 0.00 0.00 37 W 8.94 3.25 0.00 3.34 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 38 T 8.17 3.80 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 1.29 0.00 0.00 39 F 8.19 3.93 0.00 3.14 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 40 A 7.78 3.54 0.16 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 41 Y 8.01 4.39 0.00 3.11 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 42 L 7.99 3.94 0.00 1.62 1.67 0.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.45 4.12 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 0.38 0.00 0.00 44 A 7.53 3.88 1.37 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 0.00 0.00 45 D 7.67 4.77 0.00 2.61 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 46 F 8.42 4.27 0.00 2.98 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 F 8.10 4.03 0.00 3.23 2.91 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 48 P 0.00 3.84 0.00 0.49 1.65 0.00 2.28 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.85 0.00 49 L 7.09 4.18 0.00 1.91 1.70 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.24 4.72 0.00 3.03 3.09 0.00 5.65 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.65 4.45 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 -0.38 0.00 0.00 52 D 8.22 4.78 0.00 2.62 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 53 V 8.71 3.74 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 1.05 0.00 0.00 54 E 8.27 4.05 0.00 2.15 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 2.36 2.46 0.00 55 F 8.94 4.19 0.00 3.06 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 56 A 8.48 4.26 1.58 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 57 K 7.53 4.41 0.00 1.96 1.92 0.00 1.69 0.00 0.00 1.58 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.62 7.81 58 K 7.69 4.21 0.00 1.50 1.69 0.00 1.52 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.29 7.81 59 T 7.57 4.40 4.41 0.00 0.00 0.00 0.00 0.00 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 60 I 8.02 3.72 1.66 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 1.10 0.65 0.02 0.00 0.00 61 F 7.99 4.72 0.00 3.27 3.33 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 62 G 8.47 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 0.00 0.00 0.00 0.00 63 K 7.85 5.02 0.00 1.95 1.87 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.16 7.81 64 P 0.00 4.84 0.00 2.33 2.19 0.00 3.84 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 2.14 2.11 0.00 65 I 7.57 4.76 1.44 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.45 0.21 0.00 0.00 66 A 8.43 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.11 3.59 0.00 1.45 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.17 0.00 0.00 0.00 0.00 0.00 2.24 1.53 0.00 68 G 7.88 2.87 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 0.00 0.00 0.00 *70 L 8.15 3.25 0.00 0.46 1.34 0.71 0.68 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 71 V 7.36 3.50 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 0.91 0.00 0.00 0.83 0.00 0.00 72 L 7.99 3.92 0.00 2.00 1.67 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 73 S 7.88 4.09 0.00 3.98 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 74 I 7.84 3.67 1.80 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 1.42 0.54 0.88 0.00 0.00 75 A 7.88 4.06 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 76 L 8.21 3.99 0.00 1.56 1.47 0.88 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.92 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *79 V 7.74 3.99 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 0.97 0.00 0.00 80 D 8.09 4.24 0.00 2.81 2.56 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 0.00 0.00 0.00 0.00 81 Q 8.09 4.04 0.00 2.32 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 82 V 7.35 3.60 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 0.91 0.00 0.00 0.96 0.00 0.00 83 I 7.68 4.04 2.02 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.53 1.01 0.00 0.00 84 L 8.23 4.05 0.00 1.83 1.74 0.91 0.97 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 85 S 7.44 4.66 0.00 3.91 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 86 N 8.24 4.82 0.00 2.41 1.97 0.00 0.00 6.74 7.09 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 87 Y 7.66 4.94 0.00 2.80 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 88 D 8.59 4.56 0.00 2.81 2.67 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 89 V 8.27 3.96 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 0.81 0.00 0.00 0.93 0.00 0.00 90 S 8.20 4.21 0.00 3.99 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 91 S 7.81 4.16 0.00 3.83 3.71 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 92 V 7.37 4.19 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 0.74 0.00 0.00 0.89 0.00 0.00 93 I 8.52 4.04 2.03 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 1.18 0.85 0.94 0.00 0.00 94 A 7.68 4.62 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 95 F 8.82 4.89 0.00 3.03 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 96 F 9.69 4.06 0.00 3.17 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 97 G 7.55 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 98 I 8.22 5.04 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.45 1.02 0.00 0.00 99 K 9.12 4.22 0.00 1.84 1.88 0.00 1.87 0.00 0.00 1.66 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.42 7.81 100 D 7.82 4.72 0.00 2.72 2.43 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 0.00 101 V 8.18 4.71 1.83 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 0.23 0.00 0.00 0.87 0.00 0.00 102 R 9.06 4.32 0.00 1.61 1.71 0.00 3.13 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.66 0.00 103 F 8.51 4.77 0.00 2.95 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 0.00 104 L 8.79 4.28 0.00 1.83 1.75 0.98 0.86 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 0.00 105 R 7.70 4.75 0.00 1.74 1.78 0.00 3.35 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 106 P 0.00 4.34 0.00 1.32 1.73 0.00 3.88 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.25 0.00 107 V 7.75 4.28 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 1.03 0.00 0.00 0.86 0.00 0.00 108 F 9.42 4.91 0.00 3.30 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 0.00 109 I 8.91 3.66 1.97 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.58 0.96 0.00 0.00 110 G 8.00 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 0.00 0.00 0.00 111 D 8.34 4.87 0.00 2.77 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 0.00 112 T 8.52 4.96 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 0.00 113 I 8.33 4.67 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.73 0.90 0.00 0.00 114 A 9.18 4.97 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 0.00 115 A 8.67 5.40 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 0.00 116 S 9.32 5.15 0.00 3.83 4.09 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 0.00 117 A 9.09 5.40 1.37 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 0.00 0.00 118 E 9.11 5.09 0.00 2.04 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 2.16 2.33 0.00 119 V 8.85 3.75 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 0.63 0.00 0.00 0.71 0.00 0.00 120 V 8.45 4.30 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 0.71 0.00 0.00 0.91 0.00 0.00 121 E 7.54 4.72 0.00 1.94 1.64 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 2.25 2.30 0.00 122 K 8.37 5.20 0.00 1.53 1.57 0.00 1.56 0.00 0.00 1.36 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.14 1.25 7.81 123 Q 9.33 4.66 0.00 2.08 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.97 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 124 D 8.90 4.58 0.00 2.78 2.56 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 0.00 0.00 0.00 0.00 125 F 8.63 4.63 0.00 2.68 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 0.00 126 D 7.95 4.52 0.00 2.76 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 0.00 127 E 8.73 4.21 0.00 2.09 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 0.00 2.28 2.27 0.00 128 K 8.20 4.51 0.00 2.03 1.88 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.35 7.81 129 S 7.58 4.85 0.00 3.95 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 0.00 130 G 8.04 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 0.00 0.00 0.00 131 V 8.14 4.68 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 -0.37 0.00 0.00 0.78 0.00 0.00 132 V 8.66 4.73 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 0.32 0.00 0.00 1.09 0.00 0.00 133 T 8.68 4.97 4.12 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 0.00 0.00 1.15 0.00 0.00 134 Y 8.99 4.93 0.00 1.43 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 0.00 135 K 9.07 4.82 0.00 1.76 1.67 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.37 7.81 136 L 9.53 5.24 0.00 2.10 1.79 1.04 0.70 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 0.00 137 E 9.42 5.12 0.00 1.90 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 138 V 8.84 4.88 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 1.11 0.00 0.00 0.93 0.00 0.00 139 K 9.38 5.22 0.00 1.66 1.69 0.00 1.72 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.35 7.81 140 N 8.93 5.19 0.00 2.88 3.00 0.00 0.00 6.62 6.64 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 0.00 141 Q 8.89 4.08 0.00 2.24 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.07 0.00 0.00 0.00 0.00 0.00 2.44 2.33 0.00 142 R 8.28 4.38 0.00 2.04 2.18 0.00 2.92 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 143 G 8.14 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 0.00 144 E 7.72 3.98 0.00 2.18 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 2.36 2.45 0.00 145 L 8.36 4.69 0.00 1.60 1.61 0.93 0.96 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 0.00 146 V 8.69 4.24 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 0.62 0.00 0.00 0.99 0.00 0.00 147 L 7.60 5.13 0.00 1.74 1.45 1.09 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 148 T 8.65 5.17 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 1.16 0.00 0.00 149 A 8.79 5.04 1.26 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 0.00 0.00 150 L 9.33 5.37 0.00 1.72 1.54 0.98 0.89 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 0.00 151 Y 8.86 5.72 0.00 3.60 3.14 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 0.00 152 S 9.86 5.41 0.00 3.95 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 0.00 153 A 9.16 5.34 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 0.00 154 L 9.04 4.66 0.00 1.71 1.57 0.51 0.66 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 0.00 155 I 8.26 4.99 1.91 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.91 0.98 0.00 0.00 156 R 9.12 4.56 0.00 2.05 1.95 0.00 3.21 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.95 0.00 157 K 8.68 5.15 0.00 1.71 1.94 0.00 1.85 0.00 0.00 1.61 0.00 0.00 3.19 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.75 1.23 7.81 158 T 8.48 2.94 4.08 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 0.82 0.00 0.00 159 P 0.00 4.35 0.00 2.12 1.97 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.81 0.00 * Residues marked with a * may have inaccurate shift predictions.