NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 63 T 4.3956 8.0176 110.9518 61.5200 70.2784 173.8084 64 S 4.0335 8.3330 114.4737 60.3614 63.0161 174.0340 65 W 4.3534 7.5952 120.1427 57.1274 30.2074 177.6390 66 R 4.2054 7.8194 116.6713 57.0660 29.4829 177.4643 67 S 4.6341 8.9149 114.6175 59.7287 64.5698 172.9744 68 E 4.9278 7.5888 116.4861 55.6911 32.5371 173.5925 69 A 4.5779 7.9618 120.2255 52.0080 23.5677 175.3056 70 T 5.4917 8.7696 115.3330 61.9910 71.7937 173.8401 71 F 5.2068 9.0867 120.2448 55.3899 41.9199 173.4138 72 Q 5.2688 8.8205 117.5361 54.4292 32.9508 174.7787 73 F 5.1066 9.3080 122.5206 57.6284 43.1752 172.8578 74 T 4.7702 8.2842 122.9985 61.9013 70.1774 174.0194 75 V 3.8015 8.3613 127.4160 61.7633 32.8439 174.8634 76 E 4.7044 8.7515 127.1875 55.2925 31.6491 175.6262 77 R 4.3157 8.5426 117.1231 55.7185 28.2349 178.5552 78 F 4.0879 8.6390 121.8042 61.4907 39.5272 177.3131 79 S 4.3894 8.9953 114.0112 60.9571 62.7169 175.0658 80 R 4.4239 7.9170 117.9673 55.4204 30.2221 176.2203 81 L 4.0583 7.7489 121.2774 55.7201 42.4673 176.7020 82 S 4.3870 8.5965 116.8807 58.9049 65.4783 173.8016 83 E 4.5916 7.9080 118.5449 54.0588 31.5435 174.9832 84 S 4.7948 8.3399 115.0350 58.1726 64.2608 173.9471 85 V 4.5804 9.1749 122.4602 59.9769 34.0922 174.1996 86 L 5.1927 8.4445 123.9318 53.3474 44.6443 175.8944 87 S 3.1750 7.8223 119.9205 55.8679 64.8220 171.8037 88 P 4.5423 0.0000 0.0000 61.6515 32.0532 174.3640 89 P 4.4022 0.0000 0.0000 62.6030 32.5714 175.0332 90 C 4.4612 8.2447 122.4611 57.4879 34.0067 172.4096 91 F 5.6484 8.5489 124.6770 55.9151 40.1872 175.7820 92 V 4.4018 8.3555 115.4112 60.7636 36.0791 175.0772 93 R 3.6744 9.8254 123.1368 57.1436 28.0153 176.3501 94 N 3.8402 8.4910 113.4928 53.8182 38.0460 173.4134 95 L 4.7930 7.5731 116.2773 51.9218 45.2817 173.8502 96 P 3.9622 0.0000 0.0000 62.0591 32.5668 174.8137 97 W 4.9873 8.6645 125.2085 54.6489 31.9559 175.2495 98 K 5.0343 9.0940 121.7864 54.9164 36.9518 175.0497 99 I 4.9392 8.8940 123.2613 60.4326 39.3545 174.5566 100 M 5.1980 9.5282 126.7357 53.8037 34.9256 174.2958 101 V 5.1409 8.3471 125.9481 61.5214 35.1251 173.9749 102 M 5.0429 8.7721 122.2199 53.7255 34.7754 171.9620 103 P 4.7355 0.0000 0.0000 62.8785 32.4930 175.5801 104 R 4.7973 8.5190 120.3810 54.4693 34.9794 174.6410 105 F 4.6985 8.6694 118.6148 55.9472 41.3768 174.6084 *112 Q 3.4066 8.3554 123.9496 55.5037 29.8694 174.5290 113 K 3.7640 8.2191 118.5750 57.0310 31.9875 174.8950 114 S 5.3881 6.8799 108.8232 56.7536 68.3017 173.7153 115 V 4.8882 9.4157 121.1211 61.7774 32.9750 174.8545 116 G 4.5077 9.6002 116.6530 45.6667 0.0000 172.1940 117 F 5.6996 9.2627 127.3921 56.7424 42.5897 173.4291 118 F 5.3784 10.2624 124.2087 55.8061 44.1671 173.2371 119 L 5.3405 9.5939 123.3914 53.7366 44.0395 174.9214 120 Q 5.4261 9.3425 127.9867 54.7991 31.6834 173.6678 121 C 4.1541 9.1995 124.8995 57.9529 33.2003 173.3282 122 N 3.5001 7.8670 124.1485 54.2202 37.3840 175.5938 123 A 4.2751 7.5553 120.2098 54.3998 19.3230 179.2516 124 E 3.9899 7.9413 116.1367 58.8422 30.0212 177.3736 125 S 4.1027 7.0553 112.7572 58.6769 62.7200 173.1118 126 D 4.8165 8.5200 125.3473 53.1904 39.5483 176.2997 127 S 4.5663 8.1024 114.7744 58.8085 62.9559 173.6998 128 T 4.5482 8.5678 114.8560 61.2115 69.3317 174.2813 129 S 4.9056 8.1919 116.4248 58.3777 65.1240 174.0082 130 W 5.2035 8.3183 117.8442 56.6976 29.4694 175.7331 131 S 4.6011 9.0488 113.1417 57.8728 66.2742 173.7688 132 C 5.0681 9.5041 123.5142 58.6921 35.0803 171.9403 133 H 5.3411 9.1950 126.2963 55.4846 31.3739 173.5380 134 A 5.2865 8.9949 125.5351 50.9772 23.4436 174.6570 135 Q 5.2017 8.9813 117.0979 54.4794 32.8270 174.8269 136 A 4.9483 8.9599 122.6215 51.1495 23.9181 175.1293 137 V 4.6787 8.9148 119.0690 61.2724 34.3138 174.3467 138 L 4.8831 8.9742 129.3400 53.4401 43.0988 175.7988 139 K 5.1582 9.5569 125.3395 54.7175 35.8791 175.0671 140 I 4.4064 8.8682 127.7132 59.2584 38.5670 175.1499 141 I 3.7661 7.9912 128.5553 61.8337 38.0331 175.7073 142 N 4.8055 8.8480 125.1634 51.7223 39.9118 174.7957 143 Y 4.1878 8.5365 125.4168 58.8848 38.2177 177.2588 144 R 3.8021 6.4501 118.0084 56.7853 30.9999 175.8150 145 D 4.1458 7.5132 111.6970 53.3465 43.4059 175.6674 146 D 4.3579 8.3022 127.8969 56.7367 41.4186 178.0580 147 E 4.0767 8.4828 117.7217 58.5776 29.5073 177.6025 148 K 4.4323 8.2077 116.9706 56.0652 32.4304 176.7351 149 S 4.5944 7.7366 116.3377 58.6601 63.6447 173.3514 150 F 5.2463 8.9877 125.9224 56.8674 40.8876 174.6919 151 S 5.2047 7.9391 119.1322 57.0671 66.3252 173.2994 152 R 4.5382 8.8592 119.3789 54.3570 34.1528 174.5078 153 R 5.2654 8.5980 118.5921 54.9997 31.7494 175.2562 154 I 5.0541 8.8781 113.6583 59.6907 41.8451 173.8780 155 S 5.1270 8.6006 116.6667 57.3889 65.3247 172.3503 156 H 4.1309 8.8771 124.8075 54.9526 33.6770 172.2290 157 L 4.5180 7.4374 125.9855 53.4908 42.6376 175.5511 158 F 4.7275 9.3978 127.1102 57.2059 40.4784 175.1713 159 F 2.8808 8.3529 117.3689 55.3210 41.1050 174.6231 160 H 4.1923 8.1566 114.3820 58.9551 27.7772 176.5289 161 K 3.9341 6.4053 115.6035 57.0537 32.6033 177.4596 162 E 4.6004 6.8498 118.9172 55.4586 31.4068 174.9989 163 N 5.3166 7.9673 115.6082 53.4881 39.1432 175.6174 164 D 5.7722 7.9041 117.8047 52.5308 43.1522 174.2268 165 W 5.0240 8.8353 128.0001 55.7235 34.2856 174.7144 166 G 3.6830 6.5949 112.1087 46.1884 0.0000 171.4491 167 F 4.5180 7.4521 120.5254 55.4450 41.8315 176.3375 168 S 4.5485 8.8144 119.8954 60.2561 64.0379 174.0920 169 N 5.2913 7.7941 116.3468 51.1333 38.5425 174.0925 170 F 4.1099 8.7453 122.1956 61.1788 40.5342 174.5667 171 M 4.6400 7.8354 117.0873 52.8449 35.1480 172.9411 172 A 4.5288 8.3115 125.2550 51.3424 19.8762 178.2614 173 W 4.0982 9.4613 135.0000 60.7749 30.6600 178.5585 174 S 4.2965 8.2673 112.2088 61.1672 62.6362 175.8185 175 E 4.0289 7.9308 122.6078 59.2674 29.4143 178.5381 176 V 3.3484 7.3175 117.0495 65.7656 31.5615 177.0895 177 T 4.4392 7.3451 106.4505 60.8228 69.2064 174.1160 178 D 4.4690 7.8743 123.4570 53.3821 40.8556 174.8897 179 P 4.2691 0.0000 0.0000 65.2258 31.1329 176.7689 180 E 4.3902 8.5445 117.1170 56.5362 29.9318 176.9776 181 K 3.9985 8.2916 118.7740 57.0349 32.6592 178.0843 182 G 3.4679 8.3103 106.3554 45.5493 0.0000 174.5961 183 F 4.5137 7.9907 118.8882 57.2704 40.3107 175.9155 184 I 4.6237 7.6663 119.3476 58.9725 40.2626 174.0597 185 D 4.4026 8.3886 125.6270 53.9634 43.9292 174.5139 186 D 4.2389 9.4871 124.8941 55.1342 39.9006 172.1955 187 D 4.5020 8.1264 112.6513 54.9489 39.7807 172.5204 188 K 5.0963 7.8417 115.2707 54.1412 36.2310 175.8208 189 V 4.3719 8.3358 122.7764 61.4236 34.8597 174.0870 190 T 4.8661 8.2607 124.3849 62.4690 70.3790 173.4878 191 F 4.8832 9.4669 125.1949 55.5750 41.7680 174.3560 192 E 5.1140 9.5443 123.6673 54.4157 33.4876 174.4775 193 V 4.8427 8.3239 124.4685 61.1143 35.3517 173.7692 194 F 5.1106 9.1680 130.5303 56.7062 41.2943 173.9081 195 V 4.3876 7.9947 126.0801 59.8317 34.1249 175.2110 196 Q 4.1942 8.8364 121.9099 54.1601 31.2396 173.7797 197 A 5.0767 8.2107 125.6241 50.2231 21.4516 176.1664 198 D 4.8221 8.7826 120.9705 52.7533 42.8732 176.2587 199 A 4.1226 8.4447 122.4594 52.0873 18.7524 175.9646 200 P 4.8625 0.0000 0.0000 62.3414 32.7443 175.1935 201 H 4.7675 8.9042 116.3631 55.0073 31.8828 174.1873 202 G 3.5011 8.1713 107.2162 46.1390 0.0000 174.2867 203 V 3.9864 6.6442 115.4817 62.4135 34.2307 175.8364 204 A 4.6468 7.1832 124.9173 49.4822 18.1516 176.6332 205 W 4.5281 7.8786 122.2301 56.6660 29.1163 176.6081 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 63 T 8.02 4.40 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 1.29 0.00 0.00 64 S 8.33 4.03 0.00 3.83 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 65 W 7.60 4.35 0.00 3.32 3.34 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 66 R 7.82 4.21 0.00 1.95 2.30 0.00 3.12 0.00 0.00 3.62 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 67 S 8.91 4.63 0.00 3.93 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 E 7.59 4.93 0.00 1.82 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.40 0.00 69 A 7.96 4.58 1.25 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 0.00 0.00 70 T 8.77 5.49 4.37 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 1.33 0.00 0.00 71 F 9.09 5.21 0.00 3.15 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 72 Q 8.82 5.27 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.69 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 73 F 9.31 5.11 0.00 3.08 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 74 T 8.28 4.77 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 1.10 0.00 0.00 75 V 8.36 3.80 2.32 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 1.09 0.00 0.00 0.70 0.00 0.00 76 E 8.75 4.70 0.00 1.88 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 2.20 2.25 0.00 77 R 8.54 4.32 0.00 2.05 2.03 0.00 3.45 0.00 0.00 3.25 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 78 F 8.64 4.09 0.00 3.05 3.06 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 0.00 0.00 0.00 79 S 9.00 4.39 0.00 4.15 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 R 7.92 4.42 0.00 1.99 2.03 0.00 3.22 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 81 L 7.75 4.06 0.00 1.65 1.68 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.60 4.39 0.00 3.94 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 83 E 7.91 4.59 0.00 1.98 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 2.23 2.22 0.00 84 S 8.34 4.79 0.00 3.90 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 85 V 9.17 4.58 2.18 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 0.87 0.00 0.00 1.19 0.00 0.00 86 L 8.44 5.19 0.00 1.58 1.45 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 87 S 7.82 3.18 0.00 3.06 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 88 P 0.00 4.54 0.00 1.94 2.02 0.00 3.57 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 89 P 0.00 4.40 0.00 1.23 1.70 0.00 3.63 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.86 0.00 90 C 8.24 4.46 0.00 2.02 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 91 F 8.55 5.65 0.00 2.87 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 92 V 8.36 4.40 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.43 0.00 0.00 93 R 9.83 3.67 0.00 2.12 2.16 0.00 3.56 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.97 0.00 94 N 8.49 3.84 0.00 1.44 2.20 0.00 0.00 6.89 7.46 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 95 L 7.57 4.79 0.00 1.42 0.96 0.73 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 3.96 0.00 1.72 1.82 0.00 3.27 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 97 W 8.66 4.99 0.00 2.97 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 9.09 5.03 0.00 1.63 1.57 0.00 1.54 0.00 0.00 1.66 0.00 0.00 2.67 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.16 1.23 7.81 99 I 8.89 4.94 1.98 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.33 0.97 0.00 0.00 100 M 9.53 5.20 0.00 2.25 1.99 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 2.50 2.52 0.00 101 V 8.35 5.14 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 0.87 0.00 0.00 -0.31 0.00 0.00 102 M 8.77 5.04 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.68 0.00 103 P 0.00 4.74 0.00 1.45 1.19 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.82 0.00 104 R 8.52 4.80 0.00 1.81 1.86 0.00 3.33 0.00 0.00 3.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.08 0.00 105 F 8.67 4.70 0.00 2.90 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 *112 Q 8.36 3.41 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.23 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 113 K 8.22 3.76 0.00 1.79 1.59 0.00 1.86 0.00 0.00 1.95 0.00 0.00 3.14 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.43 7.81 114 S 6.88 5.39 0.00 4.14 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 0.00 115 V 9.42 4.89 2.40 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 1.33 0.00 0.00 1.16 0.00 0.00 116 G 9.60 4.51 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 0.00 117 F 9.26 5.70 0.00 2.80 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 0.00 118 F 10.26 5.38 0.00 3.05 2.99 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 0.00 119 L 9.59 5.34 0.00 1.92 1.91 1.42 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 120 Q 9.34 5.43 0.00 2.26 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.22 2.44 0.00 121 C 9.20 4.15 0.00 1.43 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 0.00 0.00 0.00 0.00 122 N 7.87 3.50 0.00 1.58 1.42 0.00 0.00 6.79 7.68 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 0.00 123 A 7.56 4.28 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 7.94 3.99 0.00 1.80 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 2.23 2.30 0.00 125 S 7.06 4.10 0.00 3.72 3.44 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 0.00 126 D 8.52 4.82 0.00 2.84 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 0.00 127 S 8.10 4.57 0.00 4.00 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 0.00 128 T 8.57 4.55 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 1.13 0.00 0.00 129 S 8.19 4.91 0.00 4.18 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 0.00 130 W 8.32 5.20 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 0.00 131 S 9.05 4.60 0.00 3.71 3.74 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 0.00 132 C 9.50 5.07 0.00 3.19 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 0.00 133 H 9.20 5.34 0.00 3.31 3.21 0.00 5.71 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.99 5.29 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 8.98 5.20 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.52 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 136 A 8.96 4.95 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 0.00 137 V 8.91 4.68 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 1.02 0.00 0.00 1.10 0.00 0.00 138 L 8.97 4.88 0.00 1.70 0.64 0.91 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 139 K 9.56 5.16 0.00 1.79 1.65 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.64 7.81 140 I 8.87 4.41 1.81 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 0.22 0.74 0.41 0.00 0.00 141 I 7.99 3.77 1.82 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 1.18 0.71 0.91 0.00 0.00 142 N 8.85 4.81 0.00 2.24 2.60 0.00 0.00 6.83 7.13 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 0.00 143 Y 8.54 4.19 0.00 3.01 2.99 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 0.00 144 R 6.45 3.80 0.00 1.61 1.66 0.00 2.78 0.00 0.00 2.85 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.50 0.00 145 D 7.51 4.15 0.00 2.53 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 0.00 0.00 0.00 0.00 146 D 8.30 4.36 0.00 2.68 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 E 8.48 4.08 0.00 2.23 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 2.32 2.25 0.00 148 K 8.21 4.43 0.00 1.54 1.68 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.38 7.81 149 S 7.74 4.59 0.00 3.93 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 0.00 150 F 8.99 5.25 0.00 3.14 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 S 7.94 5.20 0.00 3.88 3.76 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 0.00 152 R 8.86 4.54 0.00 1.26 1.26 0.00 2.21 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.50 0.00 153 R 8.60 5.27 0.00 1.89 1.97 0.00 3.17 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 154 I 8.88 5.05 2.29 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.10 1.12 0.00 0.00 155 S 8.60 5.13 0.00 3.93 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 0.00 156 H 8.88 4.13 0.00 1.89 2.43 0.00 5.81 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 7.44 4.52 0.00 1.52 1.28 0.58 0.72 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 0.00 158 F 9.40 4.73 0.00 3.41 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 F 8.35 2.88 0.00 2.49 2.52 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 0.00 160 H 8.16 4.19 0.00 3.38 3.76 0.00 5.52 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 K 6.41 3.93 0.00 1.20 1.62 0.00 1.84 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.31 1.01 7.81 162 E 6.85 4.60 0.00 1.44 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 2.21 1.98 0.00 163 N 7.97 5.32 0.00 3.29 3.33 0.00 0.00 5.60 8.07 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 0.00 164 D 7.90 5.77 0.00 2.92 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 0.00 165 W 8.84 5.02 0.00 2.86 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 0.00 166 G 6.59 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 0.00 167 F 7.45 4.52 0.00 3.14 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 0.00 168 S 8.81 4.55 0.00 4.17 4.31 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 0.00 169 N 7.79 5.29 0.00 2.76 2.84 0.00 0.00 7.23 7.45 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 0.00 170 F 8.75 4.11 0.00 3.32 3.44 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 0.00 171 M 7.84 4.64 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.25 0.00 172 A 8.31 4.53 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 0.00 173 W 9.46 4.10 0.00 3.54 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 S 8.27 4.30 0.00 4.14 4.10 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 0.00 175 E 7.93 4.03 0.00 2.00 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 2.35 0.00 176 V 7.32 3.35 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.77 0.00 0.00 177 T 7.35 4.44 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 0.92 0.00 0.00 178 D 7.87 4.47 0.00 2.96 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 0.00 179 P 0.00 4.27 0.00 2.23 2.21 0.00 3.83 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 180 E 8.54 4.39 0.00 2.03 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 2.29 2.41 0.00 181 K 8.29 4.00 0.00 1.92 2.03 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.30 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.75 7.81 182 G 8.31 3.47 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 0.00 0.00 0.00 183 F 7.99 4.51 0.00 3.07 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 0.00 184 I 7.67 4.62 1.96 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 1.27 0.92 0.96 0.00 0.00 185 D 8.39 4.40 0.00 1.89 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 0.00 0.00 0.00 186 D 9.49 4.24 0.00 2.73 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 0.00 187 D 8.13 4.50 0.00 2.94 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 0.00 188 K 7.84 5.10 0.00 1.71 1.53 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.46 7.81 189 V 8.34 4.37 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 0.10 0.00 0.00 -0.05 0.00 0.00 190 T 8.26 4.87 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 191 F 9.47 4.88 0.00 2.87 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 0.00 192 E 9.54 5.11 0.00 1.95 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 193 V 8.32 4.84 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 0.93 0.00 0.00 0.99 0.00 0.00 194 F 9.17 5.11 0.00 3.11 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 V 7.99 4.39 1.69 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 0.09 0.00 0.00 -0.16 0.00 0.00 196 Q 8.84 4.19 0.00 1.74 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.79 0.00 0.00 0.00 0.00 0.00 1.69 1.40 0.00 197 A 8.21 5.08 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 0.00 198 D 8.78 4.82 0.00 2.65 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 0.00 199 A 8.44 4.12 1.25 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 0.00 0.00 200 P 0.00 4.86 0.00 2.11 2.13 0.00 3.71 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00 201 H 8.90 4.77 0.00 3.12 3.07 0.00 5.94 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 G 8.17 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 0.00 0.00 0.00 203 V 6.64 3.99 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 0.80 0.00 0.00 1.01 0.00 0.00 204 A 7.18 4.65 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 0.00 205 W 7.88 4.53 0.00 3.30 3.26 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 0.00 * Residues marked with a * may have inaccurate shift predictions.