NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 L 4.4656 8.1849 122.4913 54.7118 42.8521 177.0709 22 T 3.8769 9.1842 124.2501 62.6584 70.4344 173.0703 23 P 4.2192 0.0000 0.0000 65.6414 31.9156 178.7639 24 A 4.0051 7.9062 119.3138 55.2279 18.3612 179.4099 25 E 3.9776 8.0340 116.6398 59.0637 29.5631 179.1555 26 L 3.9154 8.0302 120.7909 58.3977 42.2275 179.2502 27 I 3.7409 7.6862 119.4831 64.0538 36.9702 178.1770 28 E 3.9411 7.9901 120.1311 59.4051 29.5497 179.1304 29 R 3.9865 8.2386 118.2121 58.7269 29.9576 178.8374 30 L 3.7465 7.8885 120.4222 58.2891 42.1502 179.0130 31 E 4.1591 8.1820 118.4052 59.3042 29.2394 179.4973 32 Q 4.2104 8.2873 119.4059 58.4574 28.7412 178.5335 33 A 3.9718 8.0128 121.8116 54.7025 18.2514 179.3212 34 W 4.3618 8.2487 127.1174 61.1001 30.6168 178.2144 35 M 3.7135 8.1633 118.4275 58.3505 31.3818 178.4499 36 N 4.4611 8.4491 116.8603 56.4528 38.5061 177.1181 37 E 3.9623 8.4474 119.9990 59.0318 29.7937 178.5599 38 K 3.7348 7.4369 117.5728 59.0887 32.0815 178.4803 39 F 4.6146 7.3846 115.4925 57.4717 39.8281 176.6796 40 A 3.6723 7.8319 122.9994 51.3156 18.5390 176.4053 41 P 4.2138 0.0000 0.0000 63.7403 31.8674 175.6568 42 E 4.4187 6.7830 116.6156 53.5927 32.4743 175.1524 43 L 4.1495 8.1757 121.6335 55.0064 42.5060 176.9466 44 L 4.5014 8.6771 126.8309 53.3084 43.1642 176.2174 45 E 4.2494 8.4773 118.8482 56.5838 29.8358 177.3805 46 S 4.3382 8.5938 117.6001 58.4947 63.6004 174.6356 47 K 4.7122 8.3087 124.4708 53.7103 32.3554 174.7103 48 P 4.2455 0.0000 0.0000 65.8114 31.7283 177.8366 49 E 3.9588 8.3373 116.6566 59.6730 29.1952 179.5990 50 I 3.7564 7.6301 118.9772 64.2537 37.3946 178.1317 51 V 3.6175 7.7133 118.9027 66.2219 31.3515 177.8391 52 E 3.9469 8.3056 118.0101 59.8510 29.3592 179.3175 53 C 4.1726 7.8392 116.7502 62.7256 28.1040 176.4352 54 V 3.5978 8.1409 120.2630 66.1025 31.1272 177.9998 55 M 4.0276 8.3140 118.8191 58.2166 31.7890 178.3588 56 E 3.7970 8.2864 119.3532 59.4697 30.0058 178.6210 57 Q 4.0746 8.1440 118.0801 59.3441 28.5594 179.3950 58 L 4.0395 7.8680 118.7540 57.7510 41.9119 179.0842 59 E 4.1223 8.1847 118.6582 59.5645 29.2931 179.0172 60 H 4.8051 8.7164 118.0447 58.1570 28.5597 176.6328 61 M 4.3099 7.7635 117.2165 56.4334 32.3752 176.8813 62 E 4.2930 7.8016 116.8952 57.8310 30.7927 176.1090 63 E 4.4084 7.7782 120.8444 55.6346 29.4384 174.9255 64 N 4.8848 7.3183 115.1493 52.7310 42.2936 173.4123 *71 E 4.3230 8.3644 117.2426 57.0077 31.8887 178.0785 72 D 4.3840 8.0128 117.5077 57.4570 41.0278 178.6704 73 L 3.9591 7.9022 120.1231 58.1652 42.2541 178.8592 74 K 3.9737 7.9985 118.9770 59.2030 32.0665 178.9425 75 V 3.6388 7.8943 118.8878 65.9330 31.4282 178.1423 76 S 4.1096 8.5589 115.2249 61.7594 62.7502 176.7251 77 I 3.6838 7.8257 122.3191 64.7974 36.8537 178.2583 78 H 4.1625 8.0880 116.5378 58.9055 28.5434 177.6778 79 Q 3.9995 8.4183 121.5981 59.3704 28.9767 178.1756 80 M 4.0509 8.4096 120.2021 58.3942 32.0233 178.3708 81 E 3.9491 8.1686 119.3699 59.3648 29.7942 178.5806 82 M 4.0412 8.1538 118.7908 58.6509 32.0244 178.5624 83 E 4.0407 8.2937 118.4578 59.4368 29.4524 179.6701 84 R 3.9106 7.7752 117.5900 59.3912 30.1745 179.2516 85 I 3.6569 7.8095 119.5176 64.1818 36.9855 178.5618 86 R 3.8633 8.3806 119.3829 59.4768 29.8779 178.2490 87 Y 3.9763 8.0673 119.1417 60.8146 38.7130 178.4689 88 V 2.4051 7.2311 118.9196 65.4261 31.4261 177.7383 89 L 3.9159 7.7122 119.9873 58.3037 41.9652 179.1416 90 S 4.0228 8.1344 115.4079 61.4357 62.6241 176.6958 91 S 3.9585 7.8699 116.0956 61.3775 62.1649 175.3369 92 Y 4.4133 8.0670 122.2587 61.0910 38.5534 178.2219 93 L 3.6788 8.1005 119.7832 57.7515 41.5841 179.8677 94 R 3.8051 8.0504 118.0231 59.1250 29.9731 178.4924 95 C 3.9856 8.3130 118.8474 62.7165 31.5017 175.9125 96 R 3.8384 7.8046 119.4364 59.2406 29.4829 179.1214 97 L 3.8256 7.7653 118.8132 57.6717 41.4595 179.1070 98 M 3.9164 8.1545 118.3874 58.6929 32.2048 178.4824 99 K 4.0471 8.0069 118.5050 59.5274 32.1729 179.3752 100 I 3.8205 8.0140 120.2660 64.4925 36.8032 178.4233 101 E 3.3039 8.1049 118.5249 59.0781 29.3154 179.1929 102 K 3.9408 7.8649 117.5322 58.2212 32.2937 177.9782 103 F 5.0251 7.9781 118.1578 56.2810 40.1320 177.5110 104 F 4.3993 8.6751 119.7322 59.3225 37.3945 174.5159 105 P 4.2744 0.0000 0.0000 65.4208 31.1089 178.3029 106 H 4.5715 7.8308 114.6405 58.6352 28.6334 177.8334 107 V 3.7227 8.2466 120.5215 65.8502 31.3490 178.1684 108 L 4.1033 8.1147 118.9874 57.6198 41.5460 178.9614 109 E 3.9504 8.4299 119.3955 59.0889 29.3576 178.7950 110 K 3.9964 7.9959 118.9041 59.5146 32.4470 178.1721 111 E 4.0988 8.0668 119.8148 59.0222 29.3213 178.6729 112 K 4.0327 8.0975 119.4199 58.8452 32.3331 177.8961 113 T 4.4157 7.3392 106.7792 60.2880 69.4139 174.7541 114 R 3.9733 7.1055 123.1641 55.8352 30.7220 174.4220 115 P 4.3348 0.0000 0.0000 61.8839 31.9970 175.3679 116 E 4.0065 8.7743 123.7399 57.9303 29.7380 176.0774 117 G 4.1182 9.0235 114.2562 45.8073 0.0000 173.5568 118 E 4.2290 8.0860 120.4544 54.4571 30.3554 174.4423 119 P 4.2616 0.0000 0.0000 63.0531 32.0608 176.2587 120 S 4.4611 8.5615 117.1180 58.2193 63.2323 174.1179 121 S 5.0138 8.5243 119.8252 58.0905 63.0519 174.0347 122 L 4.8371 7.8394 120.7438 52.1326 45.1966 177.2359 123 S 4.4904 8.9101 118.9722 57.0939 65.3241 173.6827 124 P 4.2473 0.0000 0.0000 65.9172 30.9540 178.8839 125 E 4.0349 8.1264 116.7969 59.4616 29.4247 179.1096 126 E 3.9947 8.2468 118.7395 59.1155 29.4389 179.1095 127 L 3.9778 8.2594 120.3723 58.1443 42.1916 178.8548 128 A 4.0140 8.1509 120.6476 55.1788 18.2880 179.2487 129 F 4.0606 8.6308 119.1718 61.4549 39.4453 177.1938 130 A 3.9967 8.6711 120.7143 55.3354 18.1451 179.7941 131 R 3.9480 8.2499 116.6584 59.5032 30.0308 179.2301 132 E 3.8795 8.3283 118.4599 59.2252 29.4376 179.1034 133 F 3.5868 8.0490 120.8648 61.0878 39.3059 176.8762 134 M 3.7290 8.1180 117.5461 58.5428 32.1890 177.9159 135 A 3.9489 8.0998 121.0905 55.2241 18.5447 179.0161 136 N 4.1255 8.2116 115.7311 57.2027 38.9091 177.2712 137 T 3.7493 7.4797 116.9918 66.4405 68.4184 176.7495 138 E 3.9704 8.2623 120.5812 59.4163 29.4652 179.2493 139 S 4.0427 8.0882 113.1109 61.4904 62.4252 175.5047 140 Y 3.9305 7.9280 122.0315 60.8232 38.5018 178.1162 141 L 3.8384 8.2020 119.9753 57.4490 41.5907 179.5249 142 K 3.8451 8.3471 119.9130 59.7276 32.0116 178.7661 143 N 4.2425 7.9700 115.6789 56.0556 38.4993 177.4588 144 V 3.7542 7.4280 119.4196 63.7360 31.9493 176.5770 145 A 4.6106 7.4608 118.5404 53.5934 23.6185 177.6453 146 L 3.9490 8.3040 116.3944 57.9407 41.6725 179.5639 147 K 4.1528 8.0959 114.8088 58.5492 32.5408 176.9648 148 H 4.7473 7.9808 116.1381 55.9951 29.1491 174.4966 149 M 4.4875 7.5425 119.6694 52.7780 33.7207 174.0292 150 P 4.3258 0.0000 0.0000 62.4658 32.2448 175.8366 151 P 4.1800 0.0000 0.0000 65.9769 31.2307 177.3563 152 N 4.8884 8.0391 111.8075 53.1624 38.5155 175.3155 153 L 4.7744 7.9464 115.3186 54.5716 42.9888 177.4291 154 Q 4.3503 8.1342 116.9404 56.5890 29.1377 175.6794 155 K 4.5356 7.8335 117.9214 54.2699 34.1821 175.4766 156 V 4.2015 8.1975 122.8566 60.4919 33.7007 174.9653 157 D 4.5806 8.6315 126.9413 53.7188 41.4610 176.4198 158 L 4.1086 8.5344 128.4767 57.4077 41.4830 179.0960 159 F 3.9342 8.2441 119.8461 60.7553 39.4264 176.3694 160 R 4.2451 7.5129 115.7666 57.6635 30.4739 178.2223 161 A 4.1804 7.8136 120.2880 53.3109 18.7243 177.8953 162 V 3.9519 7.2500 117.3151 60.8526 32.3820 174.1194 163 P 4.3084 0.0000 0.0000 62.9238 31.7797 176.1358 164 K 4.0994 8.0435 120.5025 54.2292 33.4557 175.0145 165 P 3.5146 0.0000 0.0000 62.5629 31.7957 176.5320 166 D 4.5309 8.3467 122.6386 53.0264 40.2077 176.5404 167 L 4.3593 8.1836 126.4306 56.4117 41.9460 178.5733 168 D 4.5284 7.9935 117.5975 54.9039 41.4147 176.8750 169 S 4.3016 7.7003 116.0567 59.5277 63.8826 173.7321 170 Y 4.6598 8.6454 120.4422 58.0351 39.0554 175.1064 171 V 4.5999 8.6095 113.8447 60.2797 36.9896 173.8058 172 F 5.3516 8.6605 120.8837 56.2679 41.6237 174.7807 173 L 5.1742 8.9924 120.9182 54.6314 44.6408 174.3222 174 R 5.0549 9.2607 120.0829 54.5213 33.2658 174.3026 175 V 4.4053 8.9076 127.2702 62.3953 32.1676 176.1618 176 R 4.4904 8.8239 124.1659 56.4320 31.0827 176.2544 177 E 4.6265 7.9316 118.9556 54.4188 33.1010 175.1055 178 R 4.2204 8.7518 125.1439 57.4662 31.0493 175.5429 179 Q 4.5346 8.9212 125.5870 55.2792 32.7882 173.1149 180 E 4.7860 8.8390 125.7495 55.1873 31.7977 174.9297 181 N 4.1406 8.3116 115.5573 54.4410 36.1416 175.2029 182 I 4.0285 8.0242 119.7549 60.8911 39.0385 176.5512 183 L 4.6566 8.3217 128.6864 54.2272 43.3902 175.6089 184 V 4.0158 8.3335 126.4137 61.1972 33.7032 174.0377 185 E 4.8020 8.7846 127.9983 52.5547 29.6015 173.7710 186 P 4.5447 0.0000 0.0000 65.0942 32.1459 175.8751 187 D 4.6639 7.5416 121.6769 52.3324 39.6812 176.4532 188 T 4.0607 8.5891 105.5271 62.9548 69.9089 174.5184 189 D 4.5513 8.5144 123.0839 53.1978 41.0773 176.6145 190 E 4.3365 8.7758 127.4675 59.4442 29.6855 179.0883 191 Q 4.1685 8.5655 116.7433 57.6793 28.7280 176.9993 192 R 4.4097 7.6598 115.8802 56.5583 30.9116 176.5467 193 D 4.9191 7.9538 119.2886 55.0328 42.2265 174.8338 194 Y 5.0670 8.0943 117.7474 56.6474 41.9017 173.3606 195 V 5.6355 8.8058 111.9085 58.6896 35.4019 175.0522 196 I 4.8709 8.0897 114.4524 59.6113 41.6167 173.2173 197 D 5.2096 8.6914 121.7352 52.5911 43.5139 176.2034 198 L 4.5331 9.0245 123.1593 53.2767 43.2284 175.6174 199 E 4.6411 8.6414 124.2020 54.8963 31.2643 176.5380 200 K 3.9240 8.6508 124.2699 58.3719 32.4839 177.1538 201 G 3.9833 9.4248 115.0024 45.3068 0.0000 173.5735 202 S 4.6018 7.9852 114.8936 57.9404 65.0511 173.1103 203 Q 5.2368 8.4187 118.8057 54.6407 31.5180 174.6478 204 H 5.0879 9.3114 119.2172 53.9466 33.9122 171.9672 205 L 4.8365 8.2191 121.2247 53.5839 44.2212 175.1412 206 I 4.4340 8.4091 124.7059 60.0115 42.2125 173.6678 207 R 3.6856 7.9547 124.7639 55.9242 30.8340 177.1803 208 Y 4.1201 9.0130 123.8468 60.5003 38.2572 178.1565 209 K 3.6393 8.0415 120.8377 60.0687 31.9899 178.2447 210 T 3.7628 7.6632 111.1852 64.3023 67.5618 174.3302 211 I 4.0781 7.1737 111.4072 60.3701 38.3332 176.7683 212 A 3.3478 7.1477 124.3524 55.3520 17.8473 178.5415 213 P 4.2545 0.0000 0.0000 65.1549 31.3674 178.6384 214 L 4.1005 7.9152 118.1351 57.0413 41.3466 179.4895 215 V 3.6034 7.4981 118.3285 65.9176 31.3136 177.8416 216 A 4.0491 8.0144 119.1067 54.9694 18.3552 178.9066 217 S 4.4086 7.8396 110.5544 59.0252 63.7137 175.4325 218 G 3.9482 7.7827 110.4950 44.7780 0.0000 174.0921 219 A 4.3456 7.7962 121.3910 54.4260 19.3028 178.0928 220 V 4.9447 7.7308 105.7560 59.5856 35.9597 175.3282 221 Q 4.7712 9.2208 123.3444 54.2915 31.6354 174.6618 222 L 4.7050 9.2878 127.5206 54.6700 42.7723 177.1523 223 I 4.0531 8.0406 115.4052 61.1310 37.3303 174.7966 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 21 L 8.18 4.47 0.00 1.61 1.68 1.01 0.66 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 22 T 9.18 3.88 4.33 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 1.23 0.00 0.00 23 P 0.00 4.22 0.00 2.16 2.26 0.00 3.60 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 2.11 2.16 0.00 24 A 7.91 4.01 1.31 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 0.00 0.00 25 E 8.03 3.98 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 2.40 2.36 0.00 26 L 8.03 3.92 0.00 1.84 1.82 0.91 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 27 I 7.69 3.74 1.98 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 1.65 0.63 0.88 0.00 0.00 28 E 7.99 3.94 0.00 2.30 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 2.32 2.41 0.00 29 R 8.24 3.99 0.00 2.00 1.94 0.00 3.18 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 30 L 7.89 3.75 0.00 1.68 1.79 0.71 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.18 4.16 0.00 2.16 2.21 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 2.26 2.71 0.00 32 Q 8.29 4.21 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.59 2.48 0.00 33 A 8.01 3.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 W 8.25 4.36 0.00 3.25 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 35 M 8.16 3.71 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.83 0.00 36 N 8.45 4.46 0.00 2.93 2.96 0.00 0.00 6.70 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 37 E 8.45 3.96 0.00 2.37 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 38 K 7.44 3.73 0.00 1.18 0.74 0.00 0.84 0.00 0.00 1.02 0.00 0.00 2.13 0.00 0.00 2.34 0.00 0.00 0.00 0.00 1.02 1.05 7.81 39 F 7.38 4.61 0.00 2.98 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 40 A 7.83 3.67 1.17 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 0.00 0.00 41 P 0.00 4.21 0.00 2.12 2.03 0.00 2.20 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.62 0.00 42 E 6.78 4.42 0.00 2.03 1.74 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 2.06 2.17 0.00 43 L 8.18 4.15 0.00 1.65 1.63 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.68 4.50 0.00 1.95 1.70 1.05 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.48 4.25 0.00 2.01 1.93 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 2.35 2.34 0.00 46 S 8.59 4.34 0.00 3.86 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 47 K 8.31 4.71 0.00 1.92 1.74 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.72 1.44 7.81 48 P 0.00 4.25 0.00 2.17 2.12 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 49 E 8.34 3.96 0.00 1.98 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 2.42 2.38 0.00 50 I 7.63 3.76 2.02 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 1.51 0.68 0.85 0.00 0.00 51 V 7.71 3.62 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 1.14 0.00 0.00 1.11 0.00 0.00 52 E 8.31 3.95 0.00 2.12 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 0.00 2.34 2.51 0.00 53 C 7.84 4.17 0.00 3.00 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 54 V 8.14 3.60 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 1.00 0.00 0.00 0.98 0.00 0.00 55 M 8.31 4.03 0.00 2.03 2.29 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.77 0.00 56 E 8.29 3.80 0.00 2.00 2.07 0.00 0.00 0.00 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137 T 7.48 3.75 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 1.18 0.00 0.00 138 E 8.26 3.97 0.00 2.02 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 2.43 2.69 0.00 139 S 8.09 4.04 0.00 3.93 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 0.00 140 Y 7.93 3.93 0.00 3.14 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 0.00 141 L 8.20 3.84 0.00 1.88 1.71 1.01 1.16 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 0.00 142 K 8.35 3.85 0.00 1.81 1.94 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.43 7.81 143 N 7.97 4.24 0.00 2.65 2.78 0.00 0.00 7.16 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 0.00 144 V 7.43 3.75 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 0.16 0.00 0.00 0.80 0.00 0.00 145 A 7.46 4.61 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 0.00 146 L 8.30 3.95 0.00 1.66 1.92 0.92 0.88 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 0.00 147 K 8.10 4.15 0.00 1.74 1.83 0.00 1.47 0.00 0.00 1.59 0.00 0.00 3.12 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 0.99 7.81 148 H 7.98 4.75 0.00 3.28 3.31 0.00 5.64 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 0.00 149 M 7.54 4.49 0.00 2.03 1.98 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 2.90 2.50 0.00 150 P 0.00 4.33 0.00 2.17 2.00 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 2.12 2.14 0.00 151 P 0.00 4.18 0.00 2.03 2.14 0.00 3.66 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 2.04 2.15 0.00 152 N 8.04 4.89 0.00 2.70 2.82 0.00 0.00 6.67 7.85 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 0.00 153 L 7.95 4.77 0.00 1.71 1.62 0.92 0.78 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 0.00 154 Q 8.13 4.35 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.58 6.69 0.00 0.00 0.00 0.00 0.00 2.54 2.63 0.00 155 K 7.83 4.54 0.00 1.72 1.72 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.33 7.81 156 V 8.20 4.20 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 0.84 0.00 0.00 0.95 0.00 0.00 157 D 8.63 4.58 0.00 2.88 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 L 8.53 4.11 0.00 1.79 1.67 1.19 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 159 F 8.24 3.93 0.00 2.96 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 0.00 160 R 7.51 4.25 0.00 1.99 2.00 0.00 3.28 0.00 0.00 3.33 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.18 0.00 161 A 7.81 4.18 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 0.00 162 V 7.25 3.95 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 0.70 0.00 0.00 0.81 0.00 0.00 163 P 0.00 4.31 0.00 2.16 2.01 0.00 3.71 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 164 K 8.04 4.10 0.00 1.53 1.42 0.00 1.59 0.00 0.00 1.51 0.00 0.00 2.55 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.50 1.05 7.81 165 P 0.00 3.51 0.00 1.64 1.42 0.00 3.32 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.44 0.00 166 D 8.35 4.53 0.00 2.67 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 L 8.18 4.36 0.00 1.76 1.79 0.92 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 168 D 7.99 4.53 0.00 2.86 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 0.00 169 S 7.70 4.30 0.00 3.79 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 0.00 170 Y 8.65 4.66 0.00 2.77 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 0.00 171 V 8.61 4.60 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 0.85 0.00 0.00 1.09 0.00 0.00 172 F 8.66 5.35 0.00 3.01 2.83 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 0.00 173 L 8.99 5.17 0.00 1.86 1.75 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 174 R 9.26 5.05 0.00 1.84 1.79 0.00 3.09 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 175 V 8.91 4.41 2.29 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 1.00 0.00 0.00 0.98 0.00 0.00 176 R 8.82 4.49 0.00 1.86 2.03 0.00 3.11 0.00 0.00 3.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 177 E 7.93 4.63 0.00 1.81 1.85 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 2.21 2.30 0.00 178 R 8.75 4.22 0.00 1.82 1.85 0.00 3.26 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 179 Q 8.92 4.53 0.00 2.17 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.52 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 180 E 8.84 4.79 0.00 1.88 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 0.00 2.24 2.32 0.00 181 N 8.31 4.14 0.00 2.91 2.91 0.00 0.00 6.99 6.75 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 0.00 182 I 8.02 4.03 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.97 0.80 0.00 0.00 183 L 8.32 4.66 0.00 1.55 1.46 0.84 0.87 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 0.00 184 V 8.33 4.02 0.70 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 0.57 0.00 0.00 0.60 0.00 0.00 185 E 8.78 4.80 0.00 1.77 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 2.35 1.99 0.00 186 P 0.00 4.54 0.00 2.23 2.30 0.00 3.74 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 2.05 2.11 0.00 187 D 7.54 4.66 0.00 2.75 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 0.00 188 T 8.59 4.06 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 1.21 0.00 0.00 189 D 8.51 4.55 0.00 2.75 2.73 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 0.00 190 E 8.78 4.34 0.00 2.07 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 0.00 2.39 2.33 0.00 191 Q 8.57 4.17 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 192 R 7.66 4.41 0.00 2.06 2.04 0.00 3.38 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 193 D 7.95 4.92 0.00 2.70 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 5.07 0.00 3.04 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 0.00 195 V 8.81 5.64 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 0.58 0.00 0.00 0.98 0.00 0.00 196 I 8.09 4.87 1.93 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 1.46 1.24 1.13 0.00 0.00 197 D 8.69 5.21 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 0.00 198 L 9.02 4.53 0.00 1.62 1.57 0.84 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 199 E 8.64 4.64 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 2.40 2.27 0.00 200 K 8.65 3.92 0.00 1.72 1.75 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.47 7.81 201 G 9.42 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 0.00 202 S 7.99 4.60 0.00 3.91 4.03 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 0.00 203 Q 8.42 5.24 0.00 1.91 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 204 H 9.31 5.09 0.00 3.03 3.15 0.00 5.55 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 L 8.22 4.84 0.00 1.35 1.45 0.07 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 206 I 8.41 4.43 1.86 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.85 0.84 0.00 0.00 207 R 7.95 3.69 0.00 1.51 1.54 0.00 3.12 0.00 0.00 2.95 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.59 0.00 208 Y 9.01 4.12 0.00 2.98 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 0.00 209 K 8.04 3.64 0.00 1.90 1.71 0.00 1.64 0.00 0.00 1.51 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.39 7.81 210 T 7.66 3.76 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 211 I 7.17 4.08 1.77 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.41 0.80 0.00 0.00 212 A 7.15 3.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 P 0.00 4.25 0.00 2.11 2.07 0.00 3.41 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 214 L 7.92 4.10 0.00 1.77 1.68 0.87 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 215 V 7.50 3.60 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 1.14 0.00 0.00 1.11 0.00 0.00 216 A 8.01 4.05 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 0.00 217 S 7.84 4.41 0.00 3.99 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 G 7.78 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 0.00 219 A 7.80 4.35 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 0.00 220 V 7.73 4.94 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 0.67 0.00 0.00 0.94 0.00 0.00 221 Q 9.22 4.77 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.01 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 222 L 9.29 4.71 0.00 1.76 1.71 1.17 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 223 I 8.04 4.05 1.73 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 1.16 0.44 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.