NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 57 S 4.4081 8.1776 115.2763 57.3106 63.4521 174.6029 58 P 4.0458 0.0000 0.0000 64.9594 31.4625 175.6355 59 G 4.0415 8.8519 107.3622 46.6698 0.0000 173.7805 60 I 4.8506 7.4200 122.3077 60.3566 38.6405 175.1066 61 W 5.4778 9.1987 125.1950 55.0753 34.1708 173.9931 62 Q 5.0577 9.3129 120.6142 54.2203 31.4031 174.6836 63 L 5.2922 8.3863 123.6654 53.3606 44.7908 175.1687 64 D 4.8344 8.8272 119.7671 54.0051 45.3890 173.6082 65 C 5.4209 8.8763 119.1244 58.2517 31.0635 173.3214 66 T 4.5796 8.7265 116.0744 60.6514 71.1453 171.9214 67 H 5.8737 8.2684 120.8513 53.3399 32.1709 173.3473 68 L 4.3523 8.6041 120.7271 55.4344 44.8028 174.6100 69 E 3.5488 9.6945 123.8481 57.5294 26.9725 174.5683 70 G 3.9261 8.4535 102.2769 46.5517 0.0000 173.8874 71 K 4.7034 7.8974 117.8716 54.3278 36.6472 175.0849 72 V 4.9366 8.1159 118.2184 61.3603 34.8280 174.0549 73 I 4.8941 8.7655 127.9172 59.3901 40.5812 174.0927 74 L 4.5244 9.2109 130.3826 53.9768 43.3630 175.2126 75 V 4.9059 8.9351 126.7812 60.9839 34.4208 173.9009 76 A 5.4096 9.5285 129.5552 50.2094 21.9364 174.8671 77 V 4.8985 9.3474 122.5217 61.2678 35.1472 174.1887 78 H 3.5163 8.8850 128.2723 54.4141 29.4599 175.6762 79 V 3.1750 7.3257 126.9413 65.7240 31.5423 177.3157 80 A 4.0385 7.3140 121.7169 53.8284 18.5312 177.9352 81 S 4.3586 7.8936 108.0630 57.5886 64.7218 175.3620 82 G 3.8130 8.6850 108.9097 45.0776 0.0000 172.8349 83 Y 4.3237 7.5545 121.1924 57.7481 39.7699 175.0020 84 I 5.1073 7.7501 125.4213 59.5912 41.2607 174.8097 85 E 4.8214 9.1090 122.8786 54.9196 33.6361 174.5018 86 A 5.3576 8.5940 124.0620 51.1913 22.8382 174.7346 87 E 4.7067 8.9477 117.8481 55.1974 33.9321 174.7579 88 V 4.3542 8.5969 127.2022 62.5587 31.6937 175.0328 89 I 4.4802 8.3264 122.9620 58.7820 39.0289 175.3816 90 P 4.0261 0.0000 0.0000 65.7663 31.2515 176.3461 91 A 4.3740 7.0100 117.4928 51.1916 22.7925 177.0333 92 E 4.2396 8.7392 122.6299 56.3915 27.4038 177.0381 93 T 4.6377 7.2176 111.0231 60.1065 73.0672 175.6607 94 G 4.1232 8.6506 109.5573 46.5820 0.0000 175.8170 95 Q 4.1702 7.9932 119.5760 58.9702 28.9310 177.9384 96 E 4.1173 8.0100 120.7525 59.3850 29.4310 179.2570 97 T 4.0432 7.7592 115.0052 66.2669 68.6124 176.8204 98 A 4.1070 8.1369 122.8553 55.3423 18.4878 178.9709 99 Y 4.1907 7.9332 118.1899 60.8989 38.8653 177.9010 100 F 3.9010 8.2278 121.1451 61.4187 39.3822 176.8777 101 L 4.0977 8.4955 118.8810 57.4246 41.9162 178.2448 102 L 4.1956 7.7493 120.3746 57.8293 42.1087 178.7602 103 K 3.7817 7.6714 118.4958 59.3224 32.1149 179.1158 104 L 3.8269 7.6803 119.8498 57.2907 41.6399 178.3212 105 A 4.4176 7.3703 119.6785 53.5150 19.0655 177.9625 106 G 3.8752 7.2888 103.7807 45.6534 0.0000 173.3182 107 R 4.0691 7.4972 116.5368 56.4794 32.2800 175.6286 108 W 5.0193 7.6092 117.2381 54.4708 31.3677 175.5475 109 P 4.5543 0.0000 0.0000 61.8557 29.3488 173.6264 110 V 3.9285 7.7950 123.6954 63.5516 32.2732 174.8535 111 K 4.5230 9.1632 126.5634 57.8457 34.3680 176.6763 112 T 5.2194 7.8998 114.8987 61.6867 72.9764 173.1837 113 V 5.0288 8.4982 123.4706 61.6590 35.1581 173.6410 114 H 5.3806 9.2230 125.1660 54.4703 31.6405 173.7086 115 T 4.8437 8.0151 111.2179 60.8004 72.7312 172.1911 116 D 5.1481 8.3097 121.2624 52.2331 41.9557 176.1304 117 N 4.9298 8.7712 116.5338 53.5875 38.6862 175.6838 118 G 3.8391 9.4147 109.4168 45.5853 0.0000 175.0217 119 S 4.1149 9.0782 119.9655 61.8156 62.5387 176.9797 120 N 4.3149 8.0210 120.3415 55.0755 36.6485 176.5189 121 F 4.8375 8.0756 119.4429 58.9993 39.3562 176.4481 122 T 4.6738 7.4234 106.7249 61.4608 69.0491 175.5427 123 S 4.4776 7.7797 117.6128 58.9190 65.4201 174.8728 124 T 4.0955 8.3818 119.2612 66.3965 68.3318 177.4226 125 T 3.8822 7.8982 111.7194 64.9698 68.8107 176.5940 126 V 3.7149 7.8255 120.9642 65.2805 31.7287 177.6938 127 K 4.2016 8.1533 119.2939 59.5854 32.0671 178.7011 128 A 4.1228 8.7468 121.2265 55.1155 18.2082 179.5276 129 A 4.1789 8.2333 119.4048 55.5804 18.4133 179.7030 130 C 4.2425 8.4262 115.3771 62.5616 28.3031 176.2169 131 W 4.0930 8.4322 130.0650 60.2359 30.1564 178.0268 132 W 4.1344 8.6548 127.1505 60.0767 30.2597 177.2027 133 A 4.2293 8.6702 119.5916 52.0699 18.6138 177.3381 134 G 3.5795 7.6712 103.7996 46.3509 0.0000 173.2184 135 I 4.6299 8.2460 120.6660 59.1151 39.3280 175.6653 136 K 4.4016 9.2561 128.8548 55.5084 33.4271 175.2516 137 Q 4.7183 8.6764 126.6987 54.9120 30.2953 174.7625 138 E 4.6682 8.4485 123.3712 54.3665 33.3521 174.2650 139 F 5.3934 9.1138 121.8553 54.3164 42.6953 175.1379 140 G 4.5835 9.0903 115.8869 47.2024 0.0000 173.3217 *151 I 4.1064 6.9228 118.3408 59.9258 40.2182 177.6438 152 E 3.9088 8.2030 120.2861 59.4030 29.0479 178.9124 153 S 4.1031 7.9634 113.8234 61.4120 63.3906 175.9486 154 M 3.9435 8.2106 121.8352 58.2015 31.4774 177.6270 155 N 4.4965 7.7818 115.7980 54.9901 38.6343 177.3159 156 K 3.9937 7.7031 121.1599 59.2678 32.4737 178.2555 157 E 3.9243 8.3950 119.9323 59.0824 29.5650 178.3181 158 L 3.8944 7.6955 120.0402 58.2477 42.1187 179.0290 159 K 4.1234 7.7772 116.3349 58.2648 31.7560 179.3754 160 K 4.0472 7.3901 120.0019 59.6089 32.6011 178.6491 161 I 3.9222 8.0442 120.2535 64.2004 36.8227 178.4536 162 I 3.8506 8.0232 121.1471 64.2454 36.7437 178.2117 163 G 3.7815 7.6001 102.9647 46.5335 0.0000 175.0692 164 Q 4.3506 7.7918 119.2269 57.1595 29.3372 176.8286 165 V 4.4293 7.3014 110.8332 60.7556 33.1313 177.1274 166 R 3.9245 8.0209 123.6555 59.3884 29.9417 178.4391 167 D 4.4395 7.9974 115.5029 55.8019 39.5715 176.6235 168 Q 4.3534 7.7879 117.7402 55.7171 28.5442 175.1911 169 A 4.5769 7.3476 119.5399 51.1921 22.4422 177.0134 170 E 4.0192 8.7323 122.1619 59.3524 30.1746 177.4929 171 H 4.6999 7.6643 116.0544 54.9409 30.9468 176.2375 172 L 4.0101 8.5175 126.2300 57.9465 42.1030 179.3026 173 K 3.9405 8.1419 118.5534 60.4325 32.3341 179.1692 174 T 4.0129 7.8973 116.0570 66.3329 68.5083 176.5994 175 A 4.0460 7.8105 122.7811 55.0337 18.3549 179.8828 176 V 3.5658 8.1495 117.2717 66.2931 31.6247 178.3118 177 Q 4.1615 7.8730 116.3668 58.8991 28.5723 178.4146 178 M 4.1045 8.0338 119.8593 58.2415 31.9006 178.6074 179 A 4.0893 8.2386 121.1985 55.0465 18.5282 179.9111 180 V 3.5502 7.9407 117.0014 65.8327 31.6001 178.0516 181 F 4.0412 8.4139 120.5229 61.3232 39.2919 177.1266 182 I 3.7828 8.1445 119.3486 64.8859 36.7716 177.9964 183 H 4.1293 8.2586 117.6261 59.1099 29.9779 176.4661 184 N 4.4119 8.1785 117.5669 54.6367 38.3881 176.0426 185 H 4.8996 7.4262 114.5613 55.1132 30.5647 174.6251 186 K 3.9126 7.7586 121.6974 56.0620 32.3180 176.3333 187 R 4.0428 8.5860 126.8732 56.3196 30.3356 175.5254 188 K 4.6249 8.4726 123.4845 55.7393 35.1793 177.3093 189 G 3.8828 9.1759 108.5725 45.2845 0.0000 174.4434 190 G 3.9229 9.0351 106.3604 45.5928 0.0000 173.3002 191 I 4.3524 7.4796 116.9563 58.9896 40.8878 174.8521 192 G 3.8085 8.7036 116.3860 46.6007 0.0000 173.8130 193 G 4.1241 8.9383 105.0128 46.1842 0.0000 173.2707 194 Y 4.9211 7.5245 118.6989 56.8784 39.6481 175.3444 195 S 4.2734 8.7639 113.2287 56.8800 64.4389 174.7542 196 A 3.8026 8.6807 125.3918 55.7586 17.6025 180.4448 197 G 3.7300 8.6051 104.0264 47.5942 0.0000 175.8916 198 E 3.9778 8.8595 121.7436 59.1747 29.6212 179.2472 199 R 3.8858 7.7951 117.6330 59.2349 30.2034 178.7441 200 I 3.3442 7.4202 118.0670 64.0322 37.7691 178.1406 201 V 3.7376 7.2176 118.5938 65.6542 31.1475 177.5137 202 D 4.3316 7.6658 117.5334 57.2204 40.9814 178.2675 203 I 3.6977 7.5510 119.1135 64.2908 37.3075 178.3265 204 I 3.9053 7.8794 120.4831 64.3121 37.1051 178.2901 205 A 4.0765 7.7810 121.7167 55.4765 18.0551 179.4725 206 T 3.9964 8.1706 112.4575 65.3817 68.5357 175.4985 207 D 4.6221 7.2514 119.1240 55.9914 42.0119 176.3622 208 I 4.0255 8.0702 117.4154 61.3304 37.7238 175.5426 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 57 S 8.18 4.41 0.00 3.84 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 58 P 0.00 4.05 0.00 2.33 2.17 0.00 3.79 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 2.03 2.22 0.00 59 G 8.85 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 0.00 0.00 0.00 60 I 7.42 4.85 1.86 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 1.26 0.84 0.82 0.00 0.00 61 W 9.20 5.48 0.00 3.22 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 62 Q 9.31 5.06 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00 63 L 8.39 5.29 0.00 1.11 1.30 1.20 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.83 4.83 0.00 2.77 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 65 C 8.88 5.42 0.00 2.85 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 66 T 8.73 4.58 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 1.17 0.00 0.00 67 H 8.27 5.87 0.00 3.05 3.26 0.00 5.85 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.60 4.35 0.00 1.68 1.46 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 69 E 9.69 3.55 0.00 2.15 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 2.23 2.29 0.00 70 G 8.45 3.93 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 0.00 0.00 0.00 71 K 7.90 4.70 0.00 1.91 1.69 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.35 7.81 72 V 8.12 4.94 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.97 0.00 0.00 73 I 8.77 4.89 1.84 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 1.12 0.66 0.90 0.00 0.00 74 L 9.21 4.52 0.00 1.45 1.17 0.90 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 75 V 8.94 4.91 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 0.92 0.00 0.00 0.95 0.00 0.00 76 A 9.53 5.41 1.62 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 0.00 0.00 77 V 9.35 4.90 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 1.00 0.00 0.00 0.95 0.00 0.00 78 H 8.89 3.52 0.00 1.57 2.61 0.00 5.66 0.00 0.00 0.00 0.00 6.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.33 3.17 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 0.65 0.00 0.00 0.80 0.00 0.00 80 A 7.31 4.04 1.07 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 81 S 7.89 4.36 0.00 3.81 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 82 G 8.69 3.81 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 0.00 83 Y 7.55 4.32 0.00 2.91 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 84 I 7.75 5.11 1.69 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.88 0.85 0.00 0.00 85 E 9.11 4.82 0.00 2.08 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 2.32 2.69 0.00 86 A 8.59 5.36 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 87 E 8.95 4.71 0.00 2.33 1.97 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 2.31 2.33 0.00 88 V 8.60 4.35 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 0.90 0.00 0.00 0.95 0.00 0.00 89 I 8.33 4.48 1.87 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.67 0.90 0.00 0.00 90 P 0.00 4.03 0.00 2.19 2.24 0.00 3.83 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 2.09 1.98 0.00 91 A 7.01 4.37 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.74 4.24 0.00 1.93 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 2.15 2.23 0.00 93 T 7.22 4.64 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 94 G 8.65 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 0.00 0.00 0.00 0.00 95 Q 7.99 4.17 0.00 2.29 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.87 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 96 E 8.01 4.12 0.00 1.97 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 2.33 2.50 0.00 97 T 7.76 4.04 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 1.46 0.00 0.00 98 A 8.14 4.11 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 99 Y 7.93 4.19 0.00 3.11 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 F 8.23 3.90 0.00 3.25 3.27 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 0.00 101 L 8.50 4.10 0.00 1.95 1.82 0.95 1.12 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 0.00 102 L 7.75 4.20 0.00 2.12 1.68 1.04 0.37 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 0.00 103 K 7.67 3.78 0.00 1.72 1.54 0.00 1.31 0.00 0.00 1.29 0.00 0.00 2.56 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.11 0.96 7.81 104 L 7.68 3.83 0.00 1.34 1.54 0.67 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.37 4.42 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 0.00 106 G 7.29 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 0.00 107 R 7.50 4.07 0.00 1.44 1.70 0.00 3.25 0.00 0.00 2.91 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.65 0.00 108 W 7.61 5.02 0.00 3.35 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.55 0.00 2.32 2.29 0.00 4.09 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.09 0.00 110 V 7.79 3.93 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 0.72 0.00 0.00 0.63 0.00 0.00 111 K 9.16 4.52 0.00 1.87 1.84 0.00 1.57 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.44 7.81 112 T 7.90 5.22 4.32 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 1.28 0.00 0.00 113 V 8.50 5.03 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 0.89 0.00 0.00 0.97 0.00 0.00 114 H 9.22 5.38 0.00 3.02 3.10 0.00 5.70 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 T 8.02 4.84 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 0.59 0.00 0.00 116 D 8.31 5.15 0.00 2.80 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 0.00 117 N 8.77 4.93 0.00 2.78 2.87 0.00 0.00 6.75 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 0.00 118 G 9.41 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 0.00 0.00 0.00 119 S 9.08 4.11 0.00 4.02 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 0.00 120 N 8.02 4.31 0.00 2.77 3.05 0.00 0.00 6.15 8.12 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 0.00 121 F 8.08 4.84 0.00 3.37 3.18 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 0.00 0.00 0.00 122 T 7.42 4.67 4.18 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 0.00 0.00 1.30 0.00 0.00 123 S 7.78 4.48 0.00 4.10 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 0.00 124 T 8.38 4.10 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 1.21 0.00 0.00 125 T 7.90 3.88 4.29 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 1.23 0.00 0.00 126 V 7.83 3.71 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1.15 0.00 0.00 127 K 8.15 4.20 0.00 2.13 2.01 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.59 7.81 128 A 8.75 4.12 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 0.00 129 A 8.23 4.18 1.51 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 0.00 0.00 130 C 8.43 4.24 0.00 3.31 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 0.00 131 W 8.43 4.09 0.00 3.57 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 0.00 132 W 8.65 4.13 0.00 3.59 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 A 8.67 4.23 1.51 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 0.00 0.00 134 G 7.67 3.58 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 0.00 135 I 8.25 4.63 1.92 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 1.20 0.67 0.98 0.00 0.00 136 K 9.26 4.40 0.00 1.80 1.80 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.41 7.81 137 Q 8.68 4.72 0.00 2.02 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.53 0.00 0.00 0.00 0.00 0.00 2.06 2.32 0.00 138 E 8.45 4.67 0.00 1.63 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 2.07 2.19 0.00 139 F 9.11 5.39 0.00 2.89 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 0.00 140 G 9.09 4.58 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 0.00 *151 I 6.92 4.11 1.84 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 1.29 1.56 0.90 0.00 0.00 152 E 8.20 3.91 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 153 S 7.96 4.10 0.00 4.07 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 0.00 154 M 8.21 3.94 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 155 N 7.78 4.50 0.00 3.04 2.83 0.00 0.00 6.51 7.49 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 0.00 156 K 7.70 3.99 0.00 1.94 1.93 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.49 7.81 157 E 8.40 3.92 0.00 2.09 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 0.00 2.33 2.37 0.00 158 L 7.70 3.89 0.00 1.94 1.63 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 159 K 7.78 4.12 0.00 2.01 1.84 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.44 7.81 160 K 7.39 4.05 0.00 1.85 2.07 0.00 2.00 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.48 7.81 161 I 8.04 3.92 1.89 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 1.55 0.78 0.95 0.00 0.00 162 I 8.02 3.85 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.24 0.92 0.00 0.00 163 G 7.60 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 0.00 164 Q 7.79 4.35 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 165 V 7.30 4.43 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 0.96 0.00 0.00 1.04 0.00 0.00 166 R 8.02 3.92 0.00 2.06 1.93 0.00 3.15 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 167 D 8.00 4.44 0.00 2.80 2.79 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 0.00 168 Q 7.79 4.35 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 169 A 7.35 4.58 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 0.00 0.00 0.00 0.00 0.00 0.00 170 E 8.73 4.02 0.00 1.84 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 2.12 2.25 0.00 171 H 7.66 4.70 0.00 3.23 3.18 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 L 8.52 4.01 0.00 1.93 1.69 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 173 K 8.14 3.94 0.00 2.05 2.09 0.00 1.58 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.58 7.81 174 T 7.90 4.01 4.40 0.00 0.00 0.00 0.00 0.00 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 0.00 175 A 7.81 4.05 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 0.00 176 V 8.15 3.57 2.26 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 1.06 0.00 0.00 1.03 0.00 0.00 177 Q 7.87 4.16 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.65 2.59 0.00 178 M 8.03 4.10 0.00 2.10 2.27 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 2.68 2.48 0.00 179 A 8.24 4.09 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 0.00 180 V 7.94 3.55 2.15 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 0.98 0.00 0.00 1.03 0.00 0.00 181 F 8.41 4.04 0.00 3.26 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 0.00 182 I 8.14 3.78 2.14 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.07 0.97 0.00 0.00 183 H 8.26 4.13 0.00 3.10 3.45 0.00 5.94 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 N 8.18 4.41 0.00 2.68 2.67 0.00 0.00 6.78 8.30 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 0.00 185 H 7.43 4.90 0.00 2.81 3.02 0.00 5.66 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 K 7.76 3.91 0.00 1.90 1.67 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.39 7.81 187 R 8.59 4.04 0.00 1.82 1.84 0.00 3.22 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 188 K 8.47 4.62 0.00 2.06 1.80 0.00 1.83 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.23 7.81 189 G 9.18 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 0.00 190 G 9.04 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 0.00 191 I 7.48 4.35 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.67 0.88 0.00 0.00 192 G 8.70 3.81 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 0.00 193 G 8.94 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 0.00 0.00 0.00 0.00 194 Y 7.52 4.92 0.00 2.65 3.04 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 0.00 195 S 8.76 4.27 0.00 3.99 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 0.00 196 A 8.68 3.80 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 0.00 197 G 8.61 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 0.00 198 E 8.86 3.98 0.00 2.24 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 2.34 2.36 0.00 199 R 7.80 3.89 0.00 1.86 1.85 0.00 2.96 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.45 0.00 200 I 7.42 3.34 1.31 0.00 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.41 0.24 0.00 0.00 201 V 7.22 3.74 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.18 0.00 0.00 202 D 7.67 4.33 0.00 2.92 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 0.00 203 I 7.55 3.70 1.78 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 1.48 0.61 0.88 0.00 0.00 204 I 7.88 3.91 1.98 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.94 1.05 0.00 0.00 205 A 7.78 4.08 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 0.00 206 T 8.17 4.00 4.26 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 1.21 0.00 0.00 207 D 7.25 4.62 0.00 3.00 2.84 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 0.00 208 I 8.07 4.03 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.72 1.02 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.