NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4742 8.1627 120.3658 55.0493 33.7356 175.8609 2 S 4.2104 8.4819 114.7226 60.4976 62.2354 174.2422 3 Q 4.0052 8.7911 123.1678 59.0071 29.4042 177.4337 4 S 4.1028 7.9811 115.7009 61.8192 62.9154 176.3589 5 N 4.4068 8.7877 119.4892 56.1376 38.2806 177.5272 6 R 3.9134 7.9120 119.9082 59.4269 30.1827 178.2540 7 E 3.9122 8.2835 119.1916 58.9669 29.5727 178.5474 8 L 3.8091 7.7868 120.5507 57.9612 42.0598 179.0947 9 V 3.9006 8.0736 118.2963 66.2512 31.4705 178.1243 10 V 2.9329 7.7405 117.9086 65.6634 31.1465 177.4572 11 D 4.1782 8.1250 117.7483 57.2737 41.1538 177.9500 12 F 4.0061 8.3217 121.1345 61.3224 39.3979 177.0736 13 L 4.1292 8.4207 118.8655 58.0252 41.4820 179.6799 14 S 4.4104 8.3278 115.4924 61.7047 62.6419 176.1513 15 Y 3.9203 8.2413 122.5566 60.6004 38.6940 178.1032 16 K 3.6920 7.9645 120.5157 59.2654 32.2581 178.8491 17 L 4.1749 8.1847 119.4462 57.7810 41.5380 179.2144 18 S 4.4270 8.2350 113.0430 61.7114 62.1289 175.6786 19 Q 3.7888 7.6505 121.0286 59.0265 28.6288 178.0617 20 K 4.4749 7.7385 116.0438 55.9249 32.3190 177.4705 21 G 3.7193 8.1170 107.1309 45.7507 0.0000 173.2826 22 Y 4.6301 8.0315 117.0864 55.8907 40.0961 175.2434 23 S 4.1048 8.4123 115.6967 57.5965 63.4032 173.5714 24 W 4.9040 7.1470 120.7562 56.2356 28.5883 177.4591 25 S 4.0871 7.3644 116.3521 61.5211 62.2054 175.3112 26 Q 3.9876 7.7882 119.7520 57.5588 29.6106 176.8163 27 F 4.7664 7.3031 118.1835 57.2690 38.7414 175.9032 *82 P 4.1270 0.0000 0.0000 63.1611 31.4883 176.2372 83 M 3.7954 8.6608 122.9073 58.8332 32.0609 177.5387 84 A 3.9040 8.0353 119.6995 55.2156 18.5095 179.3309 85 A 3.9618 8.1031 119.3123 55.0278 18.3628 180.1643 86 V 3.6047 7.6391 116.3316 66.0636 31.7084 178.0415 87 K 3.7173 8.0239 118.4114 59.5989 31.9542 178.9410 88 Q 3.8048 8.0173 119.2515 59.1068 28.8678 178.1981 89 A 3.9811 7.9857 121.7113 55.0939 18.3600 179.3474 90 L 4.0850 8.4640 119.2296 58.3491 42.1367 179.1741 91 R 3.8161 8.2177 118.3837 59.5615 29.8726 178.9612 92 E 4.0702 8.2654 117.8547 59.2004 29.4083 179.2756 93 A 4.3085 8.5907 121.4495 55.1499 18.4333 179.8613 94 G 4.0715 8.7761 104.6244 48.3433 0.0000 175.6467 95 D 4.5418 8.4280 121.6944 56.9210 41.0163 178.2956 96 E 4.0296 8.6443 120.0827 59.4265 29.6675 178.6624 97 F 4.4565 8.6039 120.4037 61.6351 39.3580 177.0032 98 E 3.9798 8.3366 117.7617 58.3379 29.2271 178.7639 99 L 4.0905 7.8173 120.2218 57.8271 42.1647 178.6599 100 R 4.3360 7.3118 116.0763 57.0627 30.3157 175.9510 101 Y 4.2734 7.5520 118.2948 55.9156 38.5669 176.5772 102 R 3.9835 8.3427 125.1057 58.6512 31.0637 177.9167 103 R 4.6212 7.4428 115.8529 54.9964 29.9603 174.3220 104 A 4.2604 7.6507 120.2555 53.2921 19.9041 178.3413 105 F 5.1920 7.7957 113.5511 57.4229 40.0814 177.3253 106 S 4.2544 8.4648 119.5323 62.2504 62.5462 176.4331 107 D 4.4246 8.1457 120.7166 57.0963 40.4262 178.4932 108 L 3.9637 8.0107 120.6719 58.4873 42.2493 179.0333 109 T 4.1483 8.7839 110.2266 64.8849 68.4199 176.4076 110 S 4.2002 8.0099 115.3110 61.3764 62.5100 175.9117 111 Q 4.1746 8.1656 119.8882 58.3337 28.4419 177.7019 112 L 4.1665 7.5889 120.5555 55.5748 43.8975 176.5913 113 H 4.0663 8.4732 112.0456 56.3169 27.5061 174.1565 114 I 3.8755 7.3902 123.1248 62.1088 39.1012 174.5374 115 T 4.7664 8.7320 115.9225 59.4505 71.8808 172.8729 116 P 4.2754 0.0000 0.0000 64.6176 31.2433 177.6223 117 G 3.9813 7.7999 105.9531 45.6724 0.0000 174.3822 118 T 4.0117 8.0308 117.9571 63.4780 69.2783 174.0581 119 A 4.7187 8.2866 128.3250 50.8675 20.9474 177.2590 120 Y 2.6649 8.5114 120.4246 60.6462 38.6813 178.4695 121 Q 3.8524 8.1223 119.6650 59.3931 28.9125 178.7810 122 S 4.0209 7.7741 115.9048 61.2021 62.8206 176.1928 123 F 3.9912 7.5842 122.8174 61.2635 39.0741 176.3871 124 E 3.7817 7.9304 119.1851 59.4278 29.0943 178.6020 125 Q 3.8493 7.6226 118.1459 59.0800 29.3805 178.1770 126 V 3.5705 7.5549 119.2833 65.9403 31.5338 178.2593 127 V 3.0563 7.5734 118.3197 65.7331 31.1432 177.5138 128 N 4.5432 8.1702 117.7142 55.6681 38.0668 176.9251 129 E 3.8729 7.6994 119.2450 59.3406 29.5423 179.0313 130 L 3.8506 7.7015 118.1949 56.0954 41.7717 177.5911 131 F 4.9955 7.6635 118.1410 56.9026 39.6007 178.0813 132 R 3.8913 8.1631 122.1797 58.8712 29.9843 177.4787 133 D 4.7136 8.0724 115.6593 53.7573 41.2648 176.9631 134 G 3.7652 8.0430 108.0704 44.8242 0.0000 173.5750 135 V 3.9243 7.3651 117.6109 61.9276 32.7481 174.9741 136 N 3.4115 7.2779 120.8670 49.9459 41.0865 175.4954 137 W 4.7279 8.5739 121.0207 60.2165 29.1906 178.9701 138 G 3.8457 8.4750 105.0680 48.0606 0.0000 175.8274 139 R 3.8125 9.2049 120.8417 58.7349 29.9919 179.2422 140 I 4.0555 7.7507 119.8317 64.3828 37.0315 178.5238 141 V 3.7494 8.0910 119.2026 66.0003 31.3606 178.0790 142 L 3.8131 7.9774 118.8545 57.4802 41.4102 179.0901 143 F 4.0016 8.2858 120.6023 61.4195 39.3681 177.1653 144 F 3.4334 8.2790 117.1107 60.4370 38.6232 177.5839 145 S 4.6026 8.4528 113.0444 61.4806 62.1635 175.9677 146 F 3.5386 8.5102 123.7680 61.0159 39.0011 177.3228 147 G 3.4865 7.9388 105.4420 47.5750 0.0000 175.8109 148 G 3.7838 8.4410 107.8601 47.7155 0.0000 175.6624 149 A 4.1027 8.2513 123.4518 54.7858 18.2999 179.7531 150 L 3.7826 7.7069 117.6565 57.9750 41.6346 179.5364 151 C 4.0027 8.1343 116.7566 62.6306 28.0136 176.1964 152 V 3.0018 7.6939 119.7712 65.9008 31.1095 177.6121 153 E 3.8731 8.1929 118.9520 59.3882 29.4208 178.8856 154 S 4.0493 8.1750 115.3404 61.6512 62.9091 176.9470 155 V 3.5603 7.6433 120.8304 66.0345 31.0299 177.8615 156 D 4.5296 8.1004 117.6960 56.4785 40.6194 177.7848 157 K 4.3714 7.5446 117.0321 55.0463 32.6853 176.0687 158 E 3.9708 8.0463 116.7120 57.5124 27.4664 174.3079 159 M 4.8450 8.2412 114.1534 54.1215 33.1328 178.1394 160 Q 3.9785 8.1712 119.0642 58.9916 28.4086 177.6850 161 V 3.6318 7.5784 119.9449 64.3267 31.7402 177.5056 162 L 3.9585 8.0475 119.4616 56.3834 41.4492 179.3817 163 V 3.4860 7.3421 113.1158 64.3394 31.5240 178.5514 164 S 4.1552 7.6425 113.4002 61.2053 62.7222 176.4428 165 R 3.4698 7.4186 121.9350 59.1588 29.7825 178.3280 166 I 3.1501 7.7352 119.7343 64.0617 37.0000 178.1968 167 A 4.0259 8.2351 121.5998 55.1486 18.2131 179.6165 168 A 3.9804 7.7660 119.0902 55.1202 18.3944 179.9342 169 W 4.5112 8.2881 117.8413 60.2115 29.0049 178.7451 170 M 4.6157 8.6454 118.8957 58.4382 31.3546 178.5771 171 A 4.1464 8.1910 120.9322 55.5542 18.5416 179.7022 172 T 3.8211 8.0901 114.1666 67.1128 68.1123 176.2049 173 Y 4.1430 8.6932 122.8575 59.9818 38.7986 177.6355 174 L 3.8642 8.7041 121.6926 58.4860 42.0778 178.7993 175 N 4.3497 8.3651 115.4489 56.1236 38.5063 176.8359 176 D 4.2736 8.0412 118.7090 57.4134 41.5858 177.3820 177 H 4.4284 7.8976 114.5462 56.5807 29.5884 176.6166 178 L 4.1743 7.3236 119.5627 56.1233 42.5162 178.3275 179 E 3.9437 8.2411 118.7877 58.9562 29.2458 177.3966 180 P 4.2091 0.0000 0.0000 65.4711 31.4811 178.4016 181 W 3.8760 7.9591 126.4214 60.1900 30.6644 177.9354 182 I 3.2660 7.8613 119.9358 64.5525 36.3343 178.4727 183 Q 3.9373 8.1760 117.6547 58.8619 28.5819 178.2405 184 E 3.9768 7.6031 119.3835 57.8649 29.6282 176.8246 185 N 4.5872 6.9953 115.6007 53.1805 38.9459 175.5801 186 G 4.4243 8.0618 106.8612 45.3505 0.0000 175.5773 187 G 3.9048 8.5790 109.1028 44.7819 0.0000 174.1757 188 W 4.4318 8.5968 116.8862 59.2106 28.8183 178.3015 189 D 4.4857 8.2711 119.2551 57.6698 40.2905 178.5637 190 T 3.8457 7.8841 115.8973 66.2246 68.3598 176.5405 191 F 3.1846 7.6025 122.1204 61.0568 39.3594 177.0862 192 V 3.4775 7.9870 117.7627 66.0916 31.0919 177.5829 193 E 3.4345 8.0116 117.7267 58.7756 29.4420 178.0430 194 L 4.1350 7.3516 117.8119 55.9577 42.2660 177.4642 195 Y 4.5029 7.8219 114.7122 57.8203 39.7928 175.9865 196 G 3.9195 8.5047 113.9767 45.9113 0.0000 172.9773 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 1 M 8.16 4.47 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 2 S 8.48 4.21 0.00 4.03 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 3 Q 8.79 4.01 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 4 S 7.98 4.10 0.00 4.13 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 5 N 8.79 4.41 0.00 2.97 3.01 0.00 0.00 6.70 7.60 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 6 R 7.91 3.91 0.00 2.07 2.10 0.00 3.26 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 7 E 8.28 3.91 0.00 2.16 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 0.00 2.24 2.27 0.00 8 L 7.79 3.81 0.00 1.79 1.80 0.50 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.07 3.90 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.16 0.00 0.00 10 V 7.74 2.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.77 0.00 0.00 11 D 8.12 4.18 0.00 2.83 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 12 F 8.32 4.01 0.00 3.15 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.42 4.13 0.00 1.68 1.97 1.08 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.33 4.41 0.00 3.94 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 15 Y 8.24 3.92 0.00 2.93 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.96 3.69 0.00 1.68 1.84 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.49 1.55 7.81 17 L 8.18 4.17 0.00 2.13 1.96 1.16 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.23 4.43 0.00 3.50 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 19 Q 7.65 3.79 0.00 1.52 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.97 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 20 K 7.74 4.47 0.00 2.17 2.01 0.00 1.91 0.00 0.00 1.87 0.00 0.00 3.14 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.59 7.81 21 G 8.12 3.72 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 0.00 0.00 0.00 22 Y 8.03 4.63 0.00 3.12 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 23 S 8.41 4.10 0.00 3.61 3.62 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 24 W 7.15 4.90 0.00 3.79 3.56 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 25 S 7.36 4.09 0.00 3.68 3.82 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 0.00 0.00 0.00 0.00 26 Q 7.79 3.99 0.00 1.67 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.20 0.00 27 F 7.30 4.77 0.00 3.33 2.82 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 0.00 0.00 0.00 0.00 *82 P 0.00 4.13 0.00 2.21 2.07 0.00 3.67 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 2.02 2.09 0.00 83 M 8.66 3.80 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.84 0.00 84 A 8.04 3.90 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 8.10 3.96 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 V 7.64 3.60 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 0.75 0.00 0.00 1.03 0.00 0.00 87 K 8.02 3.72 0.00 1.87 1.93 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.56 7.81 88 Q 8.02 3.80 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 89 A 7.99 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.46 4.09 0.00 1.69 1.73 0.33 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.22 3.82 0.00 1.67 0.90 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 0.86 1.64 0.00 92 E 8.27 4.07 0.00 2.20 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 2.34 2.69 0.00 93 A 8.59 4.31 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 94 G 8.78 4.07 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 0.00 0.00 0.00 95 D 8.43 4.54 0.00 3.02 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 8.64 4.03 0.00 2.32 2.36 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 2.43 2.62 0.00 97 F 8.60 4.46 0.00 3.36 3.43 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 98 E 8.34 3.98 0.00 2.30 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 2.52 2.56 0.00 99 L 7.82 4.09 0.00 1.90 1.94 0.94 0.89 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 R 7.31 4.34 0.00 2.27 1.89 0.00 3.34 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 101 Y 7.55 4.27 0.00 2.17 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 0.00 102 R 8.34 3.98 0.00 1.76 1.98 0.00 3.33 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 103 R 7.44 4.62 0.00 1.70 1.80 0.00 3.34 0.00 0.00 3.30 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 104 A 7.65 4.26 1.03 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 0.00 0.00 105 F 7.80 5.19 0.00 3.35 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 0.00 106 S 8.46 4.25 0.00 3.93 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 0.00 107 D 8.15 4.42 0.00 2.81 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 0.00 108 L 8.01 3.96 0.00 1.85 1.79 0.78 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 109 T 8.78 4.15 4.48 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 1.40 0.00 0.00 110 S 8.01 4.20 0.00 4.15 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 0.00 111 Q 8.17 4.17 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.65 0.00 0.00 0.00 0.00 0.00 2.42 2.67 0.00 112 L 7.59 4.17 0.00 1.73 1.97 0.99 1.39 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 0.00 113 H 8.47 4.07 0.00 3.40 3.53 0.00 5.62 0.00 0.00 0.00 0.00 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.39 3.88 2.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.05 0.94 0.00 0.00 115 T 8.73 4.77 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 1.32 0.00 0.00 116 P 0.00 4.28 0.00 2.07 2.14 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 117 G 7.80 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 0.00 118 T 8.03 4.01 4.67 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 1.29 0.00 0.00 119 A 8.29 4.72 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 0.00 120 Y 8.51 2.66 0.00 2.74 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 0.00 121 Q 8.12 3.85 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 122 S 7.77 4.02 0.00 3.98 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 0.00 123 F 7.58 3.99 0.00 2.53 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 0.00 124 E 7.93 3.78 0.00 1.25 1.72 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 2.28 2.43 0.00 125 Q 7.62 3.85 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 126 V 7.55 3.57 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 0.96 0.00 0.00 127 V 7.57 3.06 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 0.43 0.00 0.00 -0.17 0.00 0.00 128 N 8.17 4.54 0.00 2.95 2.85 0.00 0.00 6.79 7.24 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 0.00 129 E 7.70 3.87 0.00 1.82 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 2.43 2.37 0.00 130 L 7.70 3.85 0.00 0.59 0.84 0.47 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 131 F 7.66 5.00 0.00 3.00 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 0.00 132 R 8.16 3.89 0.00 1.73 1.96 0.00 3.29 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 133 D 8.07 4.71 0.00 2.58 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 0.00 134 G 8.04 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.37 3.92 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 0.00 0.00 -0.15 0.00 0.00 0.36 0.00 0.00 136 N 7.28 3.41 0.00 2.87 2.60 0.00 0.00 6.09 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 8.57 4.73 0.00 3.82 3.82 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 0.00 0.00 0.00 0.00 138 G 8.48 3.85 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 0.00 0.00 0.00 139 R 9.20 3.81 0.00 2.03 1.72 0.00 3.02 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.40 0.00 140 I 7.75 4.06 2.27 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.95 1.29 0.00 0.00 141 V 8.09 3.75 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1.01 0.00 0.00 142 L 7.98 3.81 0.00 1.75 1.64 0.69 -0.32 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 0.00 143 F 8.29 4.00 0.00 3.25 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 F 8.28 3.43 0.00 2.82 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 0.00 145 S 8.45 4.60 0.00 4.37 4.43 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 0.00 146 F 8.51 3.54 0.00 1.93 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 0.00 147 G 7.94 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.44 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 0.00 0.00 0.00 149 A 8.25 4.10 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 7.71 3.78 0.00 1.64 1.57 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 151 C 8.13 4.00 0.00 3.12 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 0.00 152 V 7.69 3.00 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 1.03 0.00 0.00 0.85 0.00 0.00 153 E 8.19 3.87 0.00 2.12 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 2.30 2.37 0.00 154 S 8.17 4.05 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 0.00 155 V 7.64 3.56 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 1.08 0.00 0.00 0.82 0.00 0.00 156 D 8.10 4.53 0.00 2.83 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 7.54 4.37 0.00 1.73 1.82 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.68 7.81 158 E 8.05 3.97 0.00 2.12 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 2.24 2.36 0.00 159 M 8.24 4.84 0.00 1.92 2.04 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 2.69 2.41 0.00 160 Q 8.17 3.98 0.00 2.11 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 161 V 7.58 3.63 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 0.74 0.00 0.00 0.84 0.00 0.00 162 L 8.05 3.96 0.00 1.60 1.51 0.84 0.61 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 7.34 3.49 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 0.66 0.00 0.00 0.44 0.00 0.00 164 S 7.64 4.16 0.00 4.02 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 0.00 165 R 7.42 3.47 0.00 1.51 1.58 0.00 2.63 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.91 0.00 166 I 7.74 3.15 1.85 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.25 0.82 0.00 0.00 167 A 8.24 4.03 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 A 7.77 3.98 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 0.00 169 W 8.29 4.51 0.00 2.97 2.51 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 0.00 170 M 8.65 4.62 0.00 2.07 2.32 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.49 0.00 171 A 8.19 4.15 1.46 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 0.00 0.00 172 T 8.09 3.82 4.42 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 0.00 0.00 0.00 0.87 0.00 0.00 173 Y 8.69 4.14 0.00 3.74 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 0.00 174 L 8.70 3.86 0.00 2.24 1.92 1.34 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 175 N 8.37 4.35 0.00 2.73 2.88 0.00 0.00 7.12 7.89 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 0.00 176 D 8.04 4.27 0.00 2.54 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 0.00 177 H 7.90 4.43 0.00 2.27 2.75 0.00 5.71 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.32 4.17 0.00 1.62 1.45 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 179 E 8.24 3.94 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 180 P 0.00 4.21 0.00 2.11 2.07 0.00 3.54 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 2.15 2.10 0.00 181 W 7.96 3.88 0.00 3.22 3.09 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 0.00 182 I 7.86 3.27 1.84 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.65 0.44 0.00 0.00 183 Q 8.18 3.94 0.00 1.89 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.01 0.00 0.00 0.00 0.00 0.00 2.65 2.51 0.00 184 E 7.60 3.98 0.00 1.80 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 2.14 2.12 0.00 185 N 7.00 4.59 0.00 1.44 2.25 0.00 0.00 7.23 7.29 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 0.00 186 G 8.06 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 G 8.58 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 0.00 188 W 8.60 4.43 0.00 3.50 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 0.00 189 D 8.27 4.49 0.00 2.75 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 0.00 190 T 7.88 3.85 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 1.25 0.00 0.00 191 F 7.60 3.18 0.00 2.40 3.32 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 0.00 192 V 7.99 3.48 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 0.93 0.00 0.00 1.10 0.00 0.00 193 E 8.01 3.43 0.00 2.04 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 0.00 2.25 2.31 0.00 194 L 7.35 4.14 0.00 1.45 1.25 0.60 0.76 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 0.00 195 Y 7.82 4.50 0.00 2.06 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 0.00 196 G 8.50 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.