NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 3.0058 8.1133 119.6204 55.0573 31.0868 175.9133 6 P 4.2952 0.0000 0.0000 60.8855 31.0543 174.4425 7 W 5.0070 7.4476 115.1233 55.3725 31.7932 174.7306 8 K 4.1906 8.8960 120.7339 59.2952 31.9572 175.9799 9 C 5.1291 7.9601 110.2174 54.7726 39.6921 173.8135 10 C 4.8169 8.7146 120.4315 55.5928 46.0494 174.7308 11 D 4.2426 9.5584 128.2727 56.6993 41.1379 176.5520 12 E 4.6311 8.0160 117.4685 54.2618 29.7792 174.0816 13 A 4.4749 7.8198 120.8344 50.5383 19.8419 177.7643 14 V 3.8585 8.3466 123.5180 63.5835 32.6279 174.4131 15 C 5.6424 8.6221 125.1082 55.0464 43.3652 174.2830 16 T 4.1768 8.7753 114.0624 61.4583 69.5781 174.1176 17 R 4.5904 8.3010 119.1306 56.0337 30.7626 176.7090 18 S 4.5767 7.8608 113.0788 56.9734 65.2544 172.7658 19 I 4.3566 7.8906 120.2107 59.0470 38.5495 174.1276 20 P 4.5897 0.0000 0.0000 60.9165 32.4089 174.3055 21 P 4.5997 0.0000 0.0000 62.8489 33.2882 175.2677 22 I 4.7761 8.8942 122.4145 60.1147 39.3182 174.1455 23 C 6.2990 9.3673 124.7663 54.7994 41.9583 173.4276 24 T 5.2665 8.1415 116.4753 62.1235 72.5091 173.4356 25 C 4.1915 8.4098 126.7791 56.2423 43.8262 172.9235 26 M 4.1673 8.6182 125.6892 55.4855 32.2677 176.7014 27 D 4.2715 7.8014 119.4892 54.3321 41.4853 175.8273 28 E 4.0990 8.5776 124.7551 56.0073 30.2447 176.1776 29 V 4.4063 8.6905 120.0895 59.6513 34.1528 173.6795 30 F 4.4394 8.1278 116.7519 58.1178 41.7094 174.9760 31 E 4.4117 8.1085 121.8062 55.0811 31.0926 177.2464 32 C 4.4305 8.7323 123.8988 56.2612 42.8976 173.5360 *35 T 4.1382 8.4136 104.5601 61.6029 70.3175 175.1506 36 C 4.5543 8.1070 120.9833 56.2112 44.3071 172.9075 37 K 4.1122 9.1946 125.1004 56.9650 33.0887 176.6657 38 S 4.5995 7.9707 113.6994 56.8429 65.2342 172.1890 39 C 5.3815 8.7009 124.2151 55.2843 41.6694 173.8535 40 G 3.8750 8.4245 107.0065 45.8507 0.0000 170.7072 41 P 5.0172 0.0000 0.0000 63.1824 31.9053 175.6313 42 S 4.3540 8.7176 114.7423 57.8662 66.5299 174.0388 43 M 3.0737 9.6317 118.6106 56.0471 29.4523 177.6931 44 G 4.2034 8.4335 111.3483 45.8233 0.0000 174.0165 45 D 4.3594 7.4931 119.5216 53.4113 40.9615 174.9342 46 P 4.2316 0.0000 0.0000 65.5852 31.4696 177.6973 47 S 4.2877 8.6262 111.0007 59.5702 62.4693 174.7474 48 R 4.2955 7.7663 120.5275 55.6463 29.1478 173.6059 49 R 4.5118 7.8696 122.9062 55.7448 31.6099 174.7616 50 I 4.9469 9.2286 119.6893 59.1028 41.9825 173.3244 51 C 4.9308 8.6279 123.2994 56.3945 43.5945 173.3612 52 Q 4.1126 9.0764 125.3770 56.6605 28.7621 176.2354 53 D 4.5283 8.0445 119.2951 54.6230 41.3348 175.8484 54 Q 4.9806 8.5402 122.7366 55.4143 30.9388 174.5573 55 Y 4.7103 9.1409 122.1465 56.3206 42.7426 173.8818 56 V 4.0870 7.9356 127.0860 63.6788 32.1750 174.6397 57 G 3.8307 8.3069 114.4457 42.9340 0.0000 171.8892 58 D 4.4762 8.5919 120.0208 53.7550 41.1904 174.7590 59 P 4.6443 0.0000 0.0000 64.1579 31.6304 176.8618 60 G 3.8912 8.6028 107.0657 43.7402 0.0000 170.8453 61 P 4.4432 0.0000 0.0000 62.3429 31.8594 175.6567 62 I 4.8756 7.7337 112.3347 59.6652 39.2313 176.2704 63 C 4.4565 8.6848 116.8463 58.7790 40.8539 175.3559 64 R 2.5100 8.0348 114.9873 55.0007 29.1964 174.7825 65 P 4.3798 0.0000 0.0000 62.3185 31.7115 176.0052 66 W 5.1211 6.7156 117.8999 54.8571 32.9783 174.8552 67 E 4.1006 9.1349 123.2952 59.0439 29.2843 175.3640 68 C 5.0381 7.7825 109.3540 54.6798 45.8332 173.1336 69 C 4.9699 8.9731 118.7082 55.5930 46.3563 174.0619 70 D 4.3213 9.8293 126.7616 55.5088 41.5535 176.9545 71 K 4.5038 8.4421 119.6301 54.1535 32.2684 173.5303 72 A 4.7346 7.9456 123.5368 50.2727 20.9785 176.3154 73 I 4.3676 8.3115 123.9514 59.9383 39.0139 174.4292 74 C 5.6323 8.6009 123.6485 55.1361 44.3332 173.9534 75 T 4.3416 8.5428 111.8727 60.9991 70.0583 174.4457 76 R 4.6010 8.2718 118.9714 55.8646 30.8353 176.6684 77 S 4.5699 7.8381 112.6230 57.0540 65.0737 172.1696 78 N 4.8986 8.2509 117.9947 51.0351 40.5325 171.8653 79 P 4.5610 0.0000 0.0000 62.2943 32.7357 173.6905 80 P 5.0414 0.0000 0.0000 61.1875 34.7116 173.6778 81 T 5.1868 8.5748 115.6268 62.2001 71.1812 173.3697 82 C 5.7129 9.8857 122.7565 55.4055 45.2474 173.0589 83 R 5.5226 8.7135 117.7602 54.8829 34.4773 173.4610 84 C 4.8880 8.8467 121.6992 54.9012 45.1297 173.6916 85 V 4.1319 8.1163 118.5295 61.0311 32.0285 176.1873 86 D 4.3097 7.9429 121.2146 54.8535 41.0965 175.7071 87 E 4.5483 8.6145 123.3954 55.4378 30.2334 175.9349 88 V 4.6157 8.6449 116.1949 59.3502 35.9034 176.9732 89 K 4.2386 8.6551 119.8819 58.5982 32.2109 178.0641 90 K 4.5361 7.6356 117.8923 54.4310 34.8149 176.4348 91 C 4.5747 8.7313 123.0825 56.3452 42.2880 173.2384 92 A 4.3109 8.2398 123.8344 51.6411 18.5246 176.9382 93 P 4.5180 0.0000 0.0000 63.8507 31.1069 177.2070 94 T 4.4333 7.5391 107.0059 61.0083 69.5625 173.4289 95 C 4.4843 8.1287 123.2594 55.6802 43.9148 172.9945 96 K 3.8894 9.6250 130.4619 59.1031 32.2771 176.6358 97 T 4.4817 8.7971 120.2554 61.9928 70.5938 172.2671 98 C 5.1903 8.8613 127.6248 54.9997 45.9369 172.8852 99 L 4.9692 8.5585 126.5369 52.2773 44.6295 174.3410 100 P 5.0921 0.0000 0.0000 62.7035 32.4291 175.2483 101 S 4.3947 8.8586 113.2086 59.9409 65.0215 174.0503 *107 R 4.3190 7.4239 119.3546 55.4443 32.2238 173.8445 108 R 5.2452 9.4277 118.9814 55.6321 34.6646 175.1842 109 V 4.6713 8.6148 119.1219 62.0933 35.3454 171.9093 110 C 5.1981 9.0381 128.7277 55.6843 44.2824 173.0058 111 I 4.2956 8.3918 118.8457 60.5874 37.8689 175.5434 112 D 4.6029 8.1124 120.7899 55.2864 41.6331 176.3430 113 S 5.0074 8.7160 116.8204 57.3461 64.7786 172.6791 114 Y 4.7756 9.6683 127.6299 56.1205 40.5183 174.0399 115 F 4.8324 8.6699 129.3134 57.3462 40.2847 175.2022 116 G 3.3532 7.3494 114.9397 44.7323 0.0000 169.4883 117 P 4.3569 0.0000 0.0000 62.2445 31.7424 176.1692 118 V 3.7588 8.1596 119.8802 62.0895 31.9638 174.1479 119 P 4.7327 0.0000 0.0000 62.3034 31.9981 174.2682 120 P 4.5327 0.0000 0.0000 62.6606 32.6815 175.9252 121 R 5.0765 8.3560 120.6261 56.4421 30.3072 177.6291 122 C 4.4252 9.0623 119.7885 58.9808 40.7603 174.3860 123 T 4.5996 8.3268 109.7361 58.6986 70.1316 172.1598 124 P 4.2319 0.0000 0.0000 63.8079 32.1037 176.4656 125 R 4.2265 8.4715 117.5546 56.8641 29.6269 176.4801 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 5 R 8.11 3.01 0.00 1.35 1.24 0.00 2.21 0.00 0.00 2.91 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.88 0.00 6 P 0.00 4.30 0.00 2.21 2.26 0.00 2.20 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.97 0.00 7 W 7.45 5.01 0.00 3.47 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 8 K 8.90 4.19 0.00 1.84 1.95 0.00 1.79 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.45 7.81 9 C 7.96 5.13 0.00 3.16 3.05 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 10 C 8.71 4.82 0.00 1.93 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 11 D 9.56 4.24 0.00 2.83 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 12 E 8.02 4.63 0.00 1.92 1.75 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 2.18 2.20 0.00 13 A 7.82 4.47 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.35 3.86 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 1.01 0.00 0.00 0.90 0.00 0.00 15 C 8.62 5.64 0.00 2.88 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 16 T 8.78 4.18 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 1.28 0.00 0.00 17 R 8.30 4.59 0.00 1.81 1.97 0.00 3.20 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 18 S 7.86 4.58 0.00 3.96 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 19 I 7.89 4.36 1.87 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 1.41 0.68 0.90 0.00 0.00 20 P 0.00 4.59 0.00 1.97 1.95 0.00 3.63 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 1.96 2.03 0.00 21 P 0.00 4.60 0.00 2.16 2.19 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 2.18 2.03 0.00 22 I 8.89 4.78 1.89 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 1.21 0.69 0.95 0.00 0.00 23 C 9.37 6.30 0.00 3.24 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.14 5.27 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 25 C 8.41 4.19 0.00 1.23 2.37 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 26 M 8.62 4.17 0.00 1.86 2.11 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 2.55 2.58 0.00 27 D 7.80 4.27 0.00 2.54 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 28 E 8.58 4.10 0.00 1.78 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 2.09 0.00 29 V 8.69 4.41 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 30 F 8.13 4.44 0.00 3.04 3.02 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 31 E 8.11 4.41 0.00 2.00 1.94 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 2.30 2.33 0.00 32 C 8.73 4.43 0.00 2.99 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 *35 T 8.41 4.14 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 1.20 0.00 0.00 36 C 8.11 4.55 0.00 3.06 3.07 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 0.00 0.00 0.00 37 K 9.19 4.11 0.00 1.77 1.85 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.50 7.81 38 S 7.97 4.60 0.00 3.99 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.70 5.38 0.00 2.87 2.94 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 40 G 8.42 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 41 P 0.00 5.02 0.00 1.94 1.98 0.00 3.71 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 42 S 8.72 4.35 0.00 3.81 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 43 M 9.63 3.07 0.00 2.16 2.08 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 2.48 2.49 0.00 44 G 8.43 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 45 D 7.49 4.36 0.00 2.73 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.23 0.00 2.07 2.09 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.15 0.00 47 S 8.63 4.29 0.00 3.78 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 7.77 4.30 0.00 2.12 1.80 0.00 3.26 0.00 0.00 3.05 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.65 0.00 49 R 7.87 4.51 0.00 1.79 1.79 0.00 3.09 0.00 0.00 3.53 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 50 I 9.23 4.95 1.80 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 1.07 1.00 0.96 0.00 0.00 51 C 8.63 4.93 0.00 3.07 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 52 Q 9.08 4.11 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 53 D 8.04 4.53 0.00 2.87 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 54 Q 8.54 4.98 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.66 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 55 Y 9.14 4.71 0.00 2.78 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 56 V 7.94 4.09 1.75 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 0.67 0.00 0.00 0.81 0.00 0.00 57 G 8.31 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 58 D 8.59 4.48 0.00 2.72 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 59 P 0.00 4.64 0.00 2.45 2.47 0.00 3.96 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 2.11 2.08 0.00 60 G 8.60 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 0.00 0.00 0.00 61 P 0.00 4.44 0.00 2.22 2.21 0.00 3.74 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 2.10 1.96 0.00 62 I 7.73 4.88 1.96 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 1.37 1.31 0.89 0.00 0.00 63 C 8.68 4.46 0.00 3.30 3.24 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 64 R 8.03 2.51 0.00 1.17 1.45 0.00 3.34 0.00 0.00 3.39 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.57 0.00 65 P 0.00 4.38 0.00 1.52 1.71 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.89 0.00 66 W 6.72 5.12 0.00 3.42 2.94 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 67 E 9.13 4.10 0.00 1.94 2.03 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 2.31 2.39 0.00 68 C 7.78 5.04 0.00 3.17 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 69 C 8.97 4.97 0.00 2.51 2.59 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 70 D 9.83 4.32 0.00 2.89 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.44 4.50 0.00 1.66 1.64 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.30 7.81 72 A 7.95 4.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.31 4.37 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 1.17 1.16 0.90 0.00 0.00 74 C 8.60 5.63 0.00 2.79 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 75 T 8.54 4.34 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 76 R 8.27 4.60 0.00 1.80 1.95 0.00 3.20 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 77 S 7.84 4.57 0.00 4.04 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 78 N 8.25 4.90 0.00 2.63 2.73 0.00 0.00 6.95 7.69 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 79 P 0.00 4.56 0.00 1.48 1.88 0.00 3.60 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 1.10 1.67 0.00 80 P 0.00 5.04 0.00 2.19 2.39 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.81 0.00 81 T 8.57 5.19 4.34 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 1.38 0.00 0.00 82 C 9.89 5.71 0.00 3.09 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 83 R 8.71 5.52 0.00 1.77 1.84 0.00 3.17 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.65 0.00 84 C 8.85 4.89 0.00 1.23 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 0.00 0.00 0.00 0.00 85 V 8.12 4.13 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 0.69 0.00 0.00 0.90 0.00 0.00 86 D 7.94 4.31 0.00 2.57 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.61 4.55 0.00 1.95 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 2.27 2.31 0.00 88 V 8.64 4.62 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.02 0.00 0.00 89 K 8.66 4.24 0.00 1.75 1.87 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.37 7.81 90 K 7.64 4.54 0.00 1.66 1.64 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.44 7.81 91 C 8.73 4.57 0.00 3.02 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 92 A 8.24 4.31 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 93 P 0.00 4.52 0.00 2.03 2.08 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 94 T 7.54 4.43 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 1.19 0.00 0.00 95 C 8.13 4.48 0.00 3.07 3.10 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 0.00 96 K 9.63 3.89 0.00 1.75 1.95 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.55 7.81 97 T 8.80 4.48 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 1.23 0.00 0.00 98 C 8.86 5.19 0.00 2.96 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 99 L 8.56 4.97 0.00 1.66 1.55 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 5.09 0.00 2.08 2.05 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 101 S 8.86 4.39 0.00 3.94 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 *107 R 7.42 4.32 0.00 1.82 2.25 0.00 3.07 0.00 0.00 3.33 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 108 R 9.43 5.25 0.00 1.83 1.83 0.00 3.40 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 109 V 8.61 4.67 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.95 0.00 0.00 110 C 9.04 5.20 0.00 3.16 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 0.00 111 I 8.39 4.30 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.84 0.96 0.00 0.00 112 D 8.11 4.60 0.00 2.54 2.66 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 0.00 0.00 0.00 0.00 113 S 8.72 5.01 0.00 3.81 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 0.00 114 Y 9.67 4.78 0.00 2.69 3.02 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 0.00 115 F 8.67 4.83 0.00 2.93 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 G 7.35 3.35 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 0.00 117 P 0.00 4.36 0.00 2.22 2.07 0.00 3.83 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 118 V 8.16 3.76 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 0.82 0.00 0.00 0.93 0.00 0.00 119 P 0.00 4.73 0.00 2.17 2.44 0.00 3.80 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.38 0.00 120 P 0.00 4.53 0.00 2.15 2.23 0.00 3.79 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 2.10 2.03 0.00 121 R 8.36 5.08 0.00 1.68 2.02 0.00 3.27 0.00 0.00 3.86 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 122 C 9.06 4.43 0.00 3.28 3.13 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 0.00 123 T 8.33 4.60 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 124 P 0.00 4.23 0.00 2.05 2.04 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 125 R 8.47 4.23 0.00 1.97 1.98 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.