NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4833 8.1933 115.2977 58.0970 63.4117 174.4578 3 Q 3.9007 8.6345 127.9123 58.2993 28.6294 176.9266 4 S 4.1097 8.9275 117.3227 61.8808 63.3293 176.0271 5 N 4.5217 7.8996 117.5464 56.3937 38.2625 177.4799 6 R 3.9548 7.7807 119.7037 59.0574 30.0560 178.2794 7 E 3.8738 8.2335 119.4186 58.9342 29.6589 178.3531 8 L 3.8210 8.2459 119.4314 57.9686 41.6248 179.5074 9 V 3.8968 8.0661 117.8929 66.2677 31.4642 178.0519 10 V 3.3196 7.8397 117.7236 66.0018 31.3237 177.5914 11 D 4.2149 8.2132 117.7347 57.2521 41.0453 178.0393 12 F 4.1447 8.7023 121.5870 61.2701 39.3623 177.1787 13 L 4.1408 8.4972 118.7994 57.8768 41.4689 179.3562 14 S 4.3035 8.2939 115.2650 61.9781 62.7834 175.9875 15 Y 4.2285 8.0631 121.7607 60.9196 38.5934 178.5274 16 K 3.5690 7.9788 118.9961 59.2737 32.1314 179.3104 17 L 4.0859 8.2272 119.5181 58.0475 41.6414 179.6225 18 S 4.8731 8.1807 114.3488 60.9552 62.0608 175.8712 19 Q 3.8369 7.8624 121.6629 58.5364 28.7834 177.4967 20 K 4.2963 7.4244 116.2163 56.0216 32.3684 177.2544 21 G 3.7315 7.8170 107.9206 45.2906 0.0000 172.7397 22 Y 5.1366 8.2779 118.6995 55.7976 41.3175 174.5157 23 S 5.0201 8.2764 112.6599 56.4452 66.0912 174.6036 24 W 4.2241 9.1722 132.2500 59.6520 30.2736 175.4891 25 S 4.4602 7.1868 108.6404 58.9147 66.3600 177.3592 *70 G 3.8343 7.7324 109.0658 44.8200 0.0000 175.1306 71 H 4.9822 8.9203 124.7164 53.7740 31.6202 172.2750 72 S 4.6988 8.1235 112.6072 57.0746 65.6532 174.0694 73 S 4.2594 8.4861 117.4857 58.4553 63.1348 174.6191 74 S 4.4615 8.3484 117.7018 57.8001 63.7697 175.3052 75 L 3.9687 8.7240 120.8936 58.4760 41.6559 179.1284 76 D 4.4310 7.9172 116.8541 56.9750 41.7993 176.9547 77 A 4.0796 7.3269 120.9654 52.2952 18.8885 177.4375 78 R 4.0318 8.8016 122.3369 58.6010 30.3818 176.7175 79 E 4.9613 8.0517 116.0797 54.8391 32.0118 175.7391 80 V 4.2889 9.1257 116.3750 60.3116 33.0493 175.8815 81 I 4.1311 8.3538 121.8023 58.7755 38.7957 173.5495 82 P 4.2741 0.0000 0.0000 63.2022 31.7286 176.5283 83 M 3.7978 9.0101 121.5457 58.9872 31.8890 178.0592 84 A 3.9391 8.0582 119.8818 55.3117 18.5470 179.3277 85 A 3.9915 8.0691 119.0640 54.8039 18.3798 180.1452 86 V 3.6111 7.5835 116.4976 66.2478 31.7290 178.0929 87 K 3.7403 8.3856 118.5578 59.4846 31.9820 179.1451 88 Q 3.8012 8.2102 119.3753 59.2151 29.0985 178.0423 89 A 4.0997 8.1502 121.8154 55.0692 18.3461 179.4061 90 L 4.1845 8.3724 119.0971 58.1831 42.1021 179.0026 91 R 3.9995 8.1894 118.2406 59.7394 30.0186 178.9084 92 E 4.1036 8.2576 117.4290 59.2470 29.4048 179.3445 93 A 4.4291 8.5889 121.1796 55.1933 18.5121 179.9100 94 G 4.1598 9.2786 104.7066 48.1331 0.0000 175.6967 95 D 4.5442 8.8547 121.5405 57.4807 40.9406 178.6429 96 E 4.1016 8.5510 119.0582 59.4552 29.4439 179.3827 97 F 4.2548 9.0613 121.1284 61.3991 39.3707 176.7211 98 E 4.2043 8.8990 118.1703 59.5416 29.4087 178.4726 99 L 4.1887 7.6577 117.6626 56.9401 41.8159 179.0502 100 R 3.8306 7.4956 117.7618 58.2214 31.4727 177.3372 101 Y 4.3888 7.0225 118.7747 56.0502 35.8295 176.2265 102 R 3.9001 7.8972 122.8606 58.7136 30.6524 177.2885 103 R 4.3591 7.8771 114.5984 55.6523 30.5063 175.9146 104 A 3.9045 7.2268 121.9511 53.4278 18.7714 177.7720 105 F 4.0912 8.6966 117.9487 58.9299 35.7812 177.1351 106 S 4.3764 7.0690 115.7028 61.3275 61.8674 175.4797 107 D 4.4968 8.0198 122.0294 56.9362 40.8243 179.0412 108 L 3.9608 7.9243 119.7657 58.0758 41.8948 179.1827 109 T 4.1341 8.9497 110.5429 65.1881 68.3244 176.3628 110 S 4.3191 8.4599 117.2791 60.9906 62.9695 176.1784 111 Q 4.1912 8.1701 120.8533 58.3599 28.5966 177.6871 112 L 4.0475 8.2200 121.0962 57.5161 43.5659 176.5548 113 H 3.9533 8.0712 115.1855 57.0587 28.2792 174.0027 114 I 4.0115 7.5112 119.4202 61.0721 38.8241 174.5528 115 T 4.7700 8.7761 116.9799 59.4474 71.8188 172.4509 116 P 4.5363 0.0000 0.0000 63.8470 31.1366 177.3790 117 G 3.9971 7.9334 107.0029 45.8539 0.0000 174.7989 118 T 3.8651 7.5657 116.8318 63.9058 68.6119 174.1836 119 A 4.6678 8.0952 126.5696 50.3171 22.5306 177.6231 120 Y 2.8123 8.1436 121.1974 60.8145 38.8114 178.3481 121 Q 3.7543 8.1005 118.3162 59.4187 28.6501 179.9661 122 S 3.9939 7.7101 115.2771 61.2869 62.9996 176.1649 123 F 4.0091 7.3061 122.3060 61.2158 39.0505 176.6093 124 E 3.8858 8.0075 119.1737 59.4682 29.1217 178.7856 125 Q 3.9209 7.7845 116.6850 59.1044 28.6785 178.8673 126 V 3.5722 7.3897 119.0309 65.6272 31.5004 178.3552 127 V 3.1018 7.4571 118.1458 65.7139 31.4059 177.5412 128 N 4.4350 8.4532 118.0618 56.1348 38.4651 176.7057 129 E 3.9662 7.8196 118.9398 58.6565 29.4551 178.4416 130 L 3.7732 7.6219 119.8852 57.0344 42.0922 177.9054 131 F 4.6529 7.4617 115.5419 57.0061 39.0045 177.1656 132 R 3.4007 7.4273 121.6535 59.2987 29.7563 176.8445 133 D 4.5593 7.7375 114.2267 53.3208 41.4873 174.9365 134 G 3.6765 8.4307 106.1787 44.3907 0.0000 173.0524 135 V 4.0475 7.5895 118.2950 60.8367 32.9562 174.2869 136 N 4.5868 7.5601 122.0404 49.9839 40.4350 175.3088 137 W 4.4776 9.0380 118.4526 59.7292 29.1455 178.9756 138 G 3.9543 8.6221 105.4132 47.9090 0.0000 175.3360 139 A 4.0357 8.1560 122.6486 54.3473 18.3409 179.8801 140 I 3.9705 7.7278 118.3154 64.6660 37.3283 178.2447 141 V 3.6155 7.9789 118.8567 66.1540 31.2994 177.7398 142 A 3.1016 7.7493 119.9730 54.8466 18.1797 178.9844 143 F 3.9352 8.5187 119.3700 61.8398 39.4086 177.4973 144 F 3.2786 8.4244 117.1000 60.3144 38.5632 177.8941 145 S 4.5633 8.4449 115.2965 61.6850 62.5872 176.5565 146 F 3.5487 8.2946 123.9343 60.7230 38.9474 177.3620 147 G 3.5289 7.9168 105.5820 47.6178 0.0000 175.8965 148 G 3.7095 8.2300 108.0719 47.6159 0.0000 175.7017 149 A 4.0592 8.5874 124.1288 54.5655 18.4392 179.3855 150 L 3.7401 7.9126 119.3823 58.4520 42.0799 179.1703 151 C 3.9982 8.0680 116.5796 62.7398 28.1337 176.1803 152 V 3.5770 7.9882 120.0988 66.0069 31.0482 177.6864 153 E 3.9602 8.2974 119.0535 59.3565 29.3539 179.0328 154 S 4.0825 7.8777 114.8815 61.2737 62.8843 176.8027 155 V 3.2526 7.6345 121.0082 65.8939 30.9581 177.4826 156 D 4.4413 7.4475 117.4534 57.1794 40.7198 178.4462 157 K 4.3778 7.3036 115.2003 55.2484 32.7012 176.1918 158 E 4.0086 7.8993 116.3579 57.7690 27.7287 174.7349 159 M 4.7642 8.4664 114.3939 53.6528 32.6651 177.6850 160 Q 3.7380 7.9408 119.1518 59.7687 29.0331 178.9656 161 V 3.4711 7.6463 113.4430 64.1553 31.5237 178.1310 162 L 3.5502 8.0527 118.8923 56.8762 41.4602 179.1082 163 V 3.1938 7.4018 119.0504 66.2527 31.2838 178.2289 164 S 4.0303 7.3511 112.4676 60.4568 62.9876 176.0866 165 R 3.3115 6.8176 121.7478 59.2599 29.7883 178.1487 166 I 2.7759 7.1539 119.5151 64.1341 37.0730 178.2847 167 A 3.9534 7.5435 120.8924 55.1883 18.2981 179.4520 168 S 4.0600 8.2431 112.0772 61.5762 62.4041 176.5856 169 W 4.5030 8.2354 121.9562 59.9387 28.6339 178.5089 170 M 4.5785 8.6884 118.9750 58.3901 31.3481 178.5441 171 A 4.1265 8.6327 121.3267 55.5860 18.5035 179.8547 172 T 3.8318 8.1615 114.1548 66.9742 68.2038 176.3614 173 Y 4.1281 8.9643 121.9020 60.5129 38.8003 177.4977 174 L 4.0270 8.5491 121.6236 58.4270 42.0012 178.8077 175 N 4.3609 8.3926 115.0089 56.4979 38.6274 176.9852 176 D 4.3862 8.6003 119.3828 57.2932 41.0184 177.6562 177 H 4.4126 8.5146 115.0333 56.1971 30.1812 176.1009 178 L 4.3052 7.2951 119.1248 56.0352 43.0951 178.2375 179 E 4.0408 8.6980 118.9056 59.2896 29.2586 177.7908 180 P 4.4249 0.0000 0.0000 64.8532 31.7132 178.0613 181 W 4.1928 7.8684 126.9275 60.0004 30.7697 177.9108 182 I 3.2257 8.1026 120.1777 64.5662 36.3987 178.3906 183 Q 4.0217 8.4620 116.7435 57.7077 28.6009 177.3368 184 E 4.4510 7.3107 117.3816 55.8695 29.9247 175.6855 185 N 4.5144 7.8018 116.4414 52.8259 39.6633 175.3859 186 G 4.3420 7.6889 105.6860 45.5070 0.0000 175.7007 187 G 4.3433 7.9348 109.6881 44.4060 0.0000 174.3179 188 W 4.3919 8.6857 117.0337 59.6924 28.7352 178.0129 189 D 4.4987 8.4711 118.6942 58.1059 40.3103 179.0563 190 T 3.8466 7.8262 115.3385 66.6726 68.4612 176.4258 191 F 3.1098 7.1858 121.2561 60.7396 39.1298 177.3047 192 V 3.4460 7.9871 117.8515 66.1313 31.1372 177.3855 193 D 4.3523 7.7604 117.2576 57.5609 40.7850 178.5995 194 L 4.2931 7.4433 116.6471 55.7984 42.2032 177.0677 195 Y 4.3904 7.5710 113.8567 57.5331 40.1965 175.8828 196 G 3.7137 8.1091 113.6277 45.6937 0.0000 173.3195 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 8.19 4.48 0.00 3.94 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 3 Q 8.63 3.90 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.73 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 4 S 8.93 4.11 0.00 3.91 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 5 N 7.90 4.52 0.00 3.07 3.04 0.00 0.00 6.71 7.54 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 6 R 7.78 3.95 0.00 1.91 2.07 0.00 3.08 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 7 E 8.23 3.87 0.00 2.25 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 2.23 2.28 0.00 8 L 8.25 3.82 0.00 1.79 1.48 -0.44 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.07 3.90 2.25 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 1.16 0.00 0.00 1.08 0.00 0.00 10 V 7.84 3.32 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 0.37 0.00 0.00 0.76 0.00 0.00 11 D 8.21 4.21 0.00 2.75 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 12 F 8.70 4.14 0.00 3.18 3.25 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 0.00 13 L 8.50 4.14 0.00 2.14 1.95 1.12 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.29 4.30 0.00 4.04 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 15 Y 8.06 4.23 0.00 2.96 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 16 K 7.98 3.57 0.00 1.74 1.78 0.00 1.83 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.91 1.47 7.81 17 L 8.23 4.09 0.00 2.00 1.85 1.06 0.74 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 18 S 8.18 4.87 0.00 3.93 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 19 Q 7.86 3.84 0.00 1.71 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.72 0.00 0.00 0.00 0.00 0.00 2.20 2.12 0.00 20 K 7.42 4.30 0.00 1.79 1.74 0.00 1.51 0.00 0.00 1.87 0.00 0.00 3.17 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.45 7.81 21 G 7.82 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 22 Y 8.28 5.14 0.00 3.08 2.77 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 23 S 8.28 5.02 0.00 4.07 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 24 W 9.17 4.22 0.00 3.44 3.21 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 25 S 7.19 4.46 0.00 4.17 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 *70 G 7.73 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 71 H 8.92 4.98 0.00 3.13 3.23 0.00 5.70 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.12 4.70 0.00 3.93 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 73 S 8.49 4.26 0.00 3.92 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 74 S 8.35 4.46 0.00 4.01 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 75 L 8.72 3.97 0.00 1.66 1.78 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 76 D 7.92 4.43 0.00 2.63 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 77 A 7.33 4.08 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 78 R 8.80 4.03 0.00 1.81 2.01 0.00 3.24 0.00 0.00 3.56 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 79 E 8.05 4.96 0.00 1.99 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 2.36 2.45 0.00 80 V 9.13 4.29 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 0.87 0.00 0.00 1.01 0.00 0.00 81 I 8.35 4.13 2.10 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 1.38 1.07 1.05 0.00 0.00 82 P 0.00 4.27 0.00 2.25 2.19 0.00 3.80 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 83 M 9.01 3.80 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.85 0.00 84 A 8.06 3.94 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 85 A 8.07 3.99 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 86 V 7.58 3.61 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 1.01 0.00 0.00 87 K 8.39 3.74 0.00 1.85 1.90 0.00 1.75 0.00 0.00 1.49 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.40 7.81 88 Q 8.21 3.80 0.00 2.29 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 89 A 8.15 4.10 1.52 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 0.00 0.00 90 L 8.37 4.18 0.00 1.76 1.77 0.39 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.19 4.00 0.00 1.86 1.44 0.00 2.75 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.65 0.00 92 E 8.26 4.10 0.00 2.16 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 2.38 2.43 0.00 93 A 8.59 4.43 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 9.28 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 0.00 0.00 0.00 95 D 8.85 4.54 0.00 3.01 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 96 E 8.55 4.10 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.70 0.00 97 F 9.06 4.25 0.00 3.39 3.51 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 98 E 8.90 4.20 0.00 2.45 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 2.47 2.62 0.00 99 L 7.66 4.19 0.00 1.71 1.69 0.97 0.70 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 0.00 100 R 7.50 3.83 0.00 1.48 1.56 0.00 2.90 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.50 0.00 101 Y 7.02 4.39 0.00 2.21 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.90 3.90 0.00 1.72 1.94 0.00 3.40 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 103 R 7.88 4.36 0.00 1.90 1.92 0.00 3.18 0.00 0.00 3.33 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 104 A 7.23 3.90 0.54 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 0.00 0.00 105 F 8.70 4.09 0.00 3.54 3.41 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 0.00 106 S 7.07 4.38 0.00 4.05 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 0.00 107 D 8.02 4.50 0.00 2.77 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 0.00 108 L 7.92 3.96 0.00 1.78 1.54 0.86 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 109 T 8.95 4.13 4.36 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 1.50 0.00 0.00 110 S 8.46 4.32 0.00 4.00 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 0.00 111 Q 8.17 4.19 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.93 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 112 L 8.22 4.05 0.00 1.98 1.85 1.22 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.07 3.95 0.00 3.48 3.25 0.00 5.81 0.00 0.00 0.00 0.00 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.51 4.01 2.01 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.17 0.94 0.00 0.00 115 T 8.78 4.77 4.28 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 1.34 0.00 0.00 116 P 0.00 4.54 0.00 2.08 2.13 0.00 3.67 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 2.02 2.06 0.00 117 G 7.93 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 0.00 118 T 7.57 3.87 4.50 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 1.19 0.00 0.00 119 A 8.10 4.67 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 0.00 120 Y 8.14 2.81 0.00 2.78 2.88 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 0.00 121 Q 8.10 3.75 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.70 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 122 S 7.71 3.99 0.00 3.88 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 0.00 123 F 7.31 4.01 0.00 2.68 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 0.00 124 E 8.01 3.89 0.00 1.30 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 2.30 2.43 0.00 125 Q 7.78 3.92 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 126 V 7.39 3.57 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 0.79 0.00 0.00 0.92 0.00 0.00 127 V 7.46 3.10 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 0.12 0.00 0.00 0.12 0.00 0.00 128 N 8.45 4.44 0.00 2.90 2.92 0.00 0.00 6.23 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 7.82 3.97 0.00 2.01 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 0.00 2.23 2.29 0.00 130 L 7.62 3.77 0.00 1.38 0.85 0.82 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 131 F 7.46 4.65 0.00 3.18 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 0.00 132 R 7.43 3.40 0.00 1.73 2.17 0.00 3.36 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 133 D 7.74 4.56 0.00 2.67 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 0.00 134 G 8.43 3.68 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 0.00 0.00 0.00 135 V 7.59 4.05 0.67 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 -0.77 0.00 0.00 0.42 0.00 0.00 136 N 7.56 4.59 0.00 3.00 2.85 0.00 0.00 6.27 8.88 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 0.00 137 W 9.04 4.48 0.00 3.80 3.48 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 0.00 138 G 8.62 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 0.00 0.00 0.00 139 A 8.16 4.04 1.12 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 0.00 0.00 0.00 140 I 7.73 3.97 2.22 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.55 1.34 0.00 0.00 141 V 7.98 3.62 2.42 0.00 0.00 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 1.24 0.00 0.00 142 A 7.75 3.10 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 0.00 143 F 8.52 3.94 0.00 3.03 3.48 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 0.00 144 F 8.42 3.28 0.00 2.65 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 S 8.44 4.56 0.00 3.91 4.30 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 0.00 146 F 8.29 3.55 0.00 1.51 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 0.00 147 G 7.92 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.23 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 0.00 0.00 0.00 149 A 8.59 4.06 1.56 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 0.00 0.00 150 L 7.91 3.74 0.00 1.54 1.52 0.60 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 151 C 8.07 4.00 0.00 3.14 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 0.00 152 V 7.99 3.58 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 1.15 0.00 0.00 1.05 0.00 0.00 153 E 8.30 3.96 0.00 2.22 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 0.00 2.29 2.36 0.00 154 S 7.88 4.08 0.00 3.77 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 0.00 155 V 7.63 3.25 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 0.18 0.00 0.00 0.67 0.00 0.00 156 D 7.45 4.44 0.00 2.88 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 0.00 157 K 7.30 4.38 0.00 1.65 1.78 0.00 1.82 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.65 7.81 158 E 7.90 4.01 0.00 2.09 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 2.20 2.34 0.00 159 M 8.47 4.76 0.00 1.88 1.90 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 2.64 2.39 0.00 160 Q 7.94 3.74 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 161 V 7.65 3.47 1.98 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 0.81 0.00 0.00 0.85 0.00 0.00 162 L 8.05 3.55 0.00 1.61 1.48 0.89 1.05 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 0.00 163 V 7.40 3.19 1.56 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 0.03 0.00 0.00 0.62 0.00 0.00 164 S 7.35 4.03 0.00 4.07 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 0.00 165 R 6.82 3.31 0.00 1.53 0.97 0.00 2.93 0.00 0.00 3.32 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.46 0.00 166 I 7.15 2.78 1.68 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 1.17 0.03 0.78 0.00 0.00 167 A 7.54 3.95 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 S 8.24 4.06 0.00 3.87 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 W 8.24 4.50 0.00 2.77 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 0.00 170 M 8.69 4.58 0.00 2.00 2.26 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.51 0.00 171 A 8.63 4.13 1.44 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 0.00 0.00 172 T 8.16 3.83 4.28 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 0.84 0.00 0.00 173 Y 8.96 4.13 0.00 3.59 3.20 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 0.00 174 L 8.55 4.03 0.00 2.24 1.91 1.24 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 175 N 8.39 4.36 0.00 2.79 2.89 0.00 0.00 7.17 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 D 8.60 4.39 0.00 2.56 2.44 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 0.00 177 H 8.51 4.41 0.00 2.20 2.68 0.00 5.62 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.30 4.31 0.00 1.68 1.54 0.33 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 179 E 8.70 4.04 0.00 2.11 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 2.56 2.68 0.00 180 P 0.00 4.42 0.00 1.98 2.09 0.00 3.63 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 1.97 2.12 0.00 181 W 7.87 4.19 0.00 3.19 3.08 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 0.00 182 I 8.10 3.23 1.96 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 0.94 0.56 0.70 0.00 0.00 183 Q 8.46 4.02 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.78 2.51 0.00 184 E 7.31 4.45 0.00 1.69 1.78 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 2.40 2.38 0.00 185 N 7.80 4.51 0.00 1.44 1.76 0.00 0.00 7.21 8.48 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 0.00 186 G 7.69 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 0.00 0.00 0.00 0.00 187 G 7.93 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 0.00 0.00 0.00 0.00 188 W 8.69 4.39 0.00 3.49 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 0.00 189 D 8.47 4.50 0.00 2.89 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 0.00 190 T 7.83 3.85 4.49 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 1.34 0.00 0.00 191 F 7.19 3.11 0.00 1.51 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 0.00 192 V 7.99 3.45 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 1.06 0.00 0.00 1.16 0.00 0.00 193 D 7.76 4.35 0.00 2.86 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 0.00 194 L 7.44 4.29 0.00 1.62 1.70 1.08 1.02 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 0.00 195 Y 7.57 4.39 0.00 2.07 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 0.00 196 G 8.11 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.