NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 61 N 4.5643 8.4201 117.7837 51.2922 38.6124 171.2559 62 A 4.3521 7.1428 132.8269 48.1035 16.3117 176.5490 63 K 4.7707 8.9230 113.0362 54.6674 38.3542 172.6216 64 I 4.9349 8.1615 119.0463 59.6877 40.5772 174.8239 65 I 4.9862 8.6182 127.5965 59.3731 40.3689 174.8495 66 G 4.2212 9.3875 115.1353 45.6062 0.0000 171.6967 67 Y 5.3557 9.1818 126.8840 55.7128 40.7174 174.6277 68 A 4.7907 8.0545 127.9197 50.2756 22.5617 174.6365 69 R 5.0996 8.3387 119.1194 55.9227 33.6019 174.4905 70 V 4.5849 7.9978 116.9529 59.9437 36.1615 176.3725 71 S 3.7652 8.5667 117.8944 59.7333 63.9039 174.8807 72 F 5.0683 8.6231 117.4432 55.1798 42.4408 175.5900 73 N 4.3605 9.1659 120.7704 56.6944 38.4506 177.0087 74 A 4.1872 8.1046 118.7246 54.2465 18.7918 178.1263 75 Q 4.5077 8.5421 115.1449 55.7724 28.8485 177.4219 76 K 3.9508 7.9982 122.2826 59.6621 31.9885 178.7958 77 D 4.3826 8.0366 118.9421 57.2662 40.7775 177.9739 78 D 4.3784 8.2519 118.7064 57.0156 41.2141 178.0126 79 L 3.8828 7.8278 120.5818 58.1592 42.1169 178.4756 80 E 3.9628 8.0475 119.0318 59.0191 29.4616 178.6961 81 R 3.8922 7.8081 118.4675 59.5369 30.1026 178.3041 82 Q 4.0559 8.3247 118.0320 59.2765 28.6555 179.3488 83 I 3.7306 7.5222 120.0657 64.4719 37.1511 178.5226 84 Q 4.0237 8.4784 119.3622 58.7641 28.5356 178.5252 85 L 4.0084 8.3338 121.7429 58.2891 42.0493 179.2215 86 I 3.8255 8.0609 119.7431 64.4454 37.0586 178.5176 87 K 4.0298 8.4873 119.9981 59.5907 31.8029 179.5861 88 S 4.1449 8.3946 114.5891 61.4121 63.1693 175.7492 89 Y 3.8628 8.2197 122.9820 60.3313 38.4214 178.1267 90 A 4.0641 8.4500 121.7271 55.2009 18.4695 179.1408 91 E 3.8447 8.3164 117.8715 59.6440 29.5175 178.8785 92 E 3.8684 8.1603 117.5020 58.8371 29.5146 178.1291 93 N 4.3193 7.1382 113.3277 52.0666 38.7418 175.1773 94 G 3.8008 7.5726 108.3046 46.3870 0.0000 173.5841 95 W 5.0298 8.1727 119.1874 54.4785 31.3286 175.4698 96 D 4.7560 8.8186 123.3927 53.6422 41.1215 175.6375 97 I 5.1777 8.2347 116.7281 59.1150 41.3143 174.1972 98 Q 4.7802 8.9325 119.7288 54.5135 32.3227 173.9268 99 I 4.9498 8.3623 120.5540 59.6874 39.3770 174.9282 100 L 4.9948 9.2676 127.3541 52.8729 44.2726 175.7160 101 K 5.3446 8.3259 120.2816 54.5876 36.2677 175.0830 102 D 4.8158 8.0572 119.3989 52.8046 45.6286 174.5473 103 I 4.4694 8.5793 123.5297 60.7598 37.4257 175.5854 104 G 4.2020 8.5879 119.4222 45.8220 0.0000 171.3744 105 S 4.3575 7.2670 115.0016 56.8968 63.2793 175.3784 106 G 3.6435 8.3873 114.3549 47.2928 0.0000 175.0683 107 L 3.9894 7.7442 119.4159 56.1748 42.2189 176.5122 108 N 4.6162 7.8476 118.1577 52.0612 37.8632 175.1647 109 E 4.2640 8.6614 125.4247 58.0798 29.8288 178.0449 110 K 4.5051 8.6251 118.0167 56.0235 32.5687 177.2234 111 R 3.9568 7.7715 119.4037 56.5217 31.1290 176.6838 112 K 3.8262 8.8947 124.7632 60.1674 32.2308 178.3891 113 N 4.6035 9.0581 116.0116 55.4345 38.5614 177.0590 114 Y 3.9420 8.2785 121.3938 60.7222 39.0488 178.0273 115 K 3.7658 8.6484 119.7850 59.2078 31.8791 179.2066 116 K 3.8255 7.8236 118.9457 59.3506 32.2412 178.1443 117 L 3.9702 7.9251 119.5179 58.2795 42.0478 178.6001 118 L 3.9112 7.4141 117.3960 57.3227 41.5508 180.1719 119 K 3.9812 7.3660 117.4339 56.3619 32.3183 177.1769 *121 V 3.4795 7.6479 114.6000 62.3052 32.4860 175.9284 *123 N 4.5428 8.1470 112.7347 51.2146 39.9656 174.0710 124 R 3.8130 7.5150 117.1944 57.5293 29.1978 176.4795 125 K 4.4561 7.7729 114.0151 56.1417 33.8481 176.4325 126 V 4.4886 7.3807 120.4274 61.1232 33.0503 174.6844 127 E 4.2043 9.3334 130.2107 58.5943 30.9676 176.4203 128 K 5.1176 7.6578 116.8418 54.7411 37.1824 175.3018 129 V 4.8874 8.9746 124.0444 61.2642 34.2101 174.0987 130 I 5.1708 9.2412 129.3598 59.6866 39.4974 174.8138 131 I 5.0885 8.7477 119.2654 58.9590 40.8633 176.2403 132 A 4.2494 8.6878 125.7199 55.2383 19.4748 177.0544 133 Y 4.9470 7.3645 110.3787 55.3848 40.8242 173.4685 134 P 3.9691 0.0000 0.0000 65.8608 31.2822 178.2064 135 D 5.1846 7.7767 112.7575 53.9135 39.5845 177.2932 136 R 3.8379 7.4648 120.0209 59.1957 30.3373 177.9385 137 L 4.1865 8.0607 119.2248 57.7298 42.6660 176.7794 138 T 4.2820 7.1841 109.0823 61.1361 70.0527 173.6849 139 R 3.5826 8.5376 128.9517 58.7246 30.2165 176.6040 140 F 5.1517 7.5695 113.3924 56.7989 42.4721 175.0498 141 G 3.9800 9.0539 109.2751 46.7018 0.0000 175.3980 142 F 3.9303 8.4563 122.9426 61.2988 39.3460 177.0039 143 E 3.9719 8.3126 117.5598 59.6590 29.2940 179.4053 144 T 3.6615 7.7007 115.4550 66.2093 68.5920 176.4723 145 L 3.9584 7.8395 122.3661 57.8794 42.0658 178.9108 146 K 3.5084 7.6720 119.7823 59.4324 32.2056 178.5655 147 E 3.9071 7.9672 118.7474 59.3321 28.9037 179.3727 148 F 4.5578 7.8764 117.7047 60.7691 39.0272 177.5150 149 F 4.2709 8.9206 117.8573 60.8226 38.7779 177.7067 150 K 4.1191 8.4338 119.2979 59.5035 31.7676 178.8945 151 S 4.2156 8.0328 112.9866 60.5076 62.8219 174.4414 152 Y 4.4972 7.2822 118.9420 57.6881 37.8101 176.3306 153 G 3.8767 8.1380 106.5513 46.2325 0.0000 173.7298 154 T 4.7301 7.9632 116.5674 61.7798 69.7429 173.9146 155 E 4.5449 8.8995 128.1347 55.0876 31.7233 174.7720 156 I 4.7807 8.3852 127.2155 60.2953 38.5514 175.1303 157 V 4.2826 9.2199 128.6880 61.6644 32.9920 174.4790 158 I 4.7790 8.2914 128.9798 59.9554 38.2325 175.7328 159 I 3.4768 8.5379 129.0236 63.7395 37.5540 176.6468 160 N 4.7397 8.7781 127.3025 51.7949 39.8441 175.1333 161 K 3.9984 8.7555 127.8011 56.8910 31.9378 175.7333 162 K 4.4116 7.8515 114.7561 55.9068 32.3714 175.8627 163 H 3.6147 7.7125 118.5909 56.0117 29.9293 174.5162 164 K 3.7822 8.4240 127.5003 56.9589 32.3667 175.7122 165 T 4.2554 8.1359 120.8960 60.1783 68.5899 172.8867 166 P 4.3220 0.0000 0.0000 63.1437 32.3584 177.6954 167 Q 4.0774 8.8129 122.4433 58.7105 28.7501 178.3450 168 E 4.0142 8.2998 118.3939 59.8722 29.4598 179.1449 169 E 4.0925 8.2610 119.0264 58.8110 29.6676 179.1583 170 L 4.0020 7.7722 118.9038 57.6455 41.6641 179.6686 171 V 3.6150 8.1061 118.4093 66.2078 31.4654 178.0455 172 E 4.1186 8.4702 118.3516 59.5106 29.3750 179.1169 173 D 4.3843 8.4050 119.1579 57.0437 40.7720 178.5093 174 L 4.0433 7.9445 120.7641 58.1647 42.0478 179.1573 175 I 3.7331 7.8513 119.7384 64.8014 37.1187 178.3215 176 T 3.9470 8.1847 116.7079 66.9383 68.2041 176.5833 177 I 4.0112 7.7903 121.2474 64.0575 37.2559 178.4150 178 V 3.6902 8.1996 119.4754 66.1322 31.2982 177.6916 179 S 4.3593 8.2798 112.8889 61.9331 62.1436 175.4604 180 H 4.0748 8.3940 120.5539 59.6264 29.4946 177.1663 181 F 3.9729 8.8491 119.4955 60.2419 38.8093 177.5666 182 A 4.1606 9.1587 121.7877 55.2359 18.2270 179.7784 183 G 3.6715 8.6803 104.5103 48.1678 0.0000 176.0261 184 K 4.0285 7.6550 119.0756 58.3665 32.0735 178.8125 185 L 4.1474 7.2119 118.0012 56.0839 42.0020 176.9069 186 Y 5.0300 7.7746 112.1538 56.6095 41.2393 176.6329 187 G 3.8538 7.9784 111.0113 46.8712 0.0000 175.6362 *189 H 4.7008 8.6911 121.6343 53.6055 29.4936 172.5184 190 S 4.6485 7.5625 116.3253 58.6957 65.7907 174.2628 191 H 4.2975 8.6147 119.9983 59.4331 29.2110 177.1282 192 K 3.7796 8.0009 119.8642 59.4211 31.6547 178.5014 193 Y 4.2854 7.8044 119.2856 60.4950 38.6513 178.4794 194 K 3.9216 7.8770 119.1440 59.1887 32.2048 179.2864 195 K 3.8421 7.7286 119.3671 59.2820 32.1523 178.2567 196 L 3.9135 7.4833 120.3097 58.3814 42.0788 178.9225 197 T 3.7287 7.3618 109.9261 64.7789 68.6146 176.3229 198 K 4.0332 8.0168 121.5943 59.3368 32.6247 179.3102 199 T 3.9195 8.0684 117.4974 66.1784 68.3133 176.9565 200 V 3.5266 7.9802 120.4391 65.9856 31.4389 177.7861 201 K 3.8893 7.9954 120.3769 60.3915 31.9537 178.7983 202 E 4.1557 8.0833 117.4665 61.0341 29.9606 180.8862 203 I 4.1701 7.6515 123.5457 64.7290 36.9527 179.7180 204 V 4.3194 7.8235 120.7493 63.6468 31.9313 178.7857 205 R 4.4338 8.1879 124.8549 57.2780 30.4362 177.6083 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 61 N 8.42 4.56 0.00 2.76 2.69 0.00 0.00 6.69 6.57 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 62 A 7.14 4.35 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 63 K 8.92 4.77 0.00 1.80 1.88 0.00 1.26 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.26 1.34 7.81 64 I 8.16 4.93 2.04 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.82 0.83 0.00 0.00 65 I 8.62 4.99 1.87 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 1.15 0.78 0.99 0.00 0.00 66 G 9.39 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 0.00 0.00 0.00 0.00 67 Y 9.18 5.36 0.00 2.99 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 68 A 8.05 4.79 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 8.34 5.10 0.00 1.55 1.77 0.00 3.17 0.00 0.00 3.12 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 70 V 8.00 4.58 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 0.78 0.00 0.00 0.89 0.00 0.00 71 S 8.57 3.77 0.00 2.76 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 72 F 8.62 5.07 0.00 3.12 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 73 N 9.17 4.36 0.00 2.81 2.93 0.00 0.00 6.91 8.03 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 74 A 8.10 4.19 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 75 Q 8.54 4.51 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.67 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 76 K 8.00 3.95 0.00 1.89 1.89 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.47 1.67 7.81 77 D 8.04 4.38 0.00 2.78 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 78 D 8.25 4.38 0.00 2.84 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.83 3.88 0.00 1.76 1.81 0.81 0.83 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 80 E 8.05 3.96 0.00 2.20 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 2.31 2.37 0.00 81 R 7.81 3.89 0.00 1.99 2.14 0.00 3.25 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 82 Q 8.32 4.06 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 83 I 7.52 3.73 2.02 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 1.49 0.81 0.92 0.00 0.00 84 Q 8.48 4.02 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.79 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 85 L 8.33 4.01 0.00 1.90 1.93 0.98 1.06 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 86 I 8.06 3.83 2.06 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.68 1.03 0.00 0.00 87 K 8.49 4.03 0.00 1.88 1.91 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.60 7.81 88 S 8.39 4.14 0.00 4.07 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 0.00 89 Y 8.22 3.86 0.00 3.26 3.22 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 90 A 8.45 4.06 1.60 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 0.00 0.00 91 E 8.32 3.84 0.00 2.16 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 2.31 2.50 0.00 92 E 8.16 3.87 0.00 1.70 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 2.26 2.39 0.00 93 N 7.14 4.32 0.00 1.44 1.58 0.00 0.00 7.09 7.05 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 94 G 7.57 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 W 8.17 5.03 0.00 3.46 2.97 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 96 D 8.82 4.76 0.00 2.71 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 97 I 8.23 5.18 1.96 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.73 1.15 0.00 0.00 98 Q 8.93 4.78 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 99 I 8.36 4.95 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.94 0.90 0.00 0.00 100 L 9.27 4.99 0.00 1.75 1.72 0.97 0.70 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 0.00 101 K 8.33 5.34 0.00 1.53 1.57 0.00 1.08 0.00 0.00 2.31 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.25 1.24 7.81 102 D 8.06 4.82 0.00 2.59 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 0.00 103 I 8.58 4.47 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 1.26 0.91 1.00 0.00 0.00 104 G 8.59 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 0.00 0.00 0.00 0.00 105 S 7.27 4.36 0.00 3.72 3.65 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 0.00 106 G 8.39 3.64 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 0.00 0.00 0.00 107 L 7.74 3.99 0.00 1.64 1.76 1.06 0.94 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 0.00 108 N 7.85 4.62 0.00 2.78 2.83 0.00 0.00 7.03 7.12 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 0.00 109 E 8.66 4.26 0.00 2.06 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 0.00 2.41 2.37 0.00 110 K 8.63 4.51 0.00 1.88 1.85 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.42 7.81 111 R 7.77 3.96 0.00 1.98 2.19 0.00 3.17 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 112 K 8.89 3.83 0.00 1.85 1.87 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.58 7.81 113 N 9.06 4.60 0.00 3.33 3.01 0.00 0.00 6.76 8.18 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 0.00 114 Y 8.28 3.94 0.00 3.18 3.19 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 0.00 115 K 8.65 3.77 0.00 1.94 1.82 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.69 7.81 116 K 7.82 3.83 0.00 1.76 2.03 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.42 7.81 117 L 7.93 3.97 0.00 1.64 1.67 0.80 0.91 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 0.00 118 L 7.41 3.91 0.00 1.54 1.51 0.64 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 119 K 7.37 3.98 0.00 1.66 1.81 0.00 1.76 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.32 7.81 *121 V 7.65 3.48 1.68 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 0.59 0.00 0.00 -0.01 0.00 0.00 *123 N 8.15 4.54 0.00 2.63 2.77 0.00 0.00 7.07 7.66 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 0.00 124 R 7.52 3.81 0.00 1.99 1.97 0.00 3.29 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.84 0.00 125 K 7.77 4.46 0.00 1.60 1.73 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.56 1.27 7.81 126 V 7.38 4.49 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 0.69 0.00 0.00 0.75 0.00 0.00 127 E 9.33 4.20 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 128 K 7.66 5.12 0.00 1.40 1.41 0.00 0.61 0.00 0.00 0.62 0.00 0.00 2.13 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.20 1.13 7.81 129 V 8.97 4.89 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 1.14 0.00 0.00 0.90 0.00 0.00 130 I 9.24 5.17 2.02 0.00 0.00 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 1.55 0.57 1.04 0.00 0.00 131 I 8.75 5.09 1.92 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.90 1.15 0.00 0.00 132 A 8.69 4.25 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 0.00 133 Y 7.36 4.95 0.00 3.10 3.17 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 0.00 134 P 0.00 3.97 0.00 1.84 1.03 0.00 3.64 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.79 0.00 135 D 7.78 5.18 0.00 2.65 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 R 7.46 3.84 0.00 1.73 1.87 0.00 2.84 0.00 0.00 3.03 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.96 0.00 137 L 8.06 4.19 0.00 1.77 2.03 0.92 0.68 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 0.00 138 T 7.18 4.28 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 1.36 0.00 0.00 139 R 8.54 3.58 0.00 1.50 1.54 0.00 2.78 0.00 0.00 2.80 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.50 0.00 140 F 7.57 5.15 0.00 3.09 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 0.00 141 G 9.05 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 0.00 142 F 8.46 3.93 0.00 3.15 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 0.00 143 E 8.31 3.97 0.00 2.04 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 2.53 2.40 0.00 144 T 7.70 3.66 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 0.98 0.00 0.00 145 L 7.84 3.96 0.00 1.73 1.35 0.88 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 146 K 7.67 3.51 0.00 1.24 1.73 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.37 7.81 147 E 7.97 3.91 0.00 1.85 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 2.37 2.37 0.00 148 F 7.88 4.56 0.00 3.37 3.14 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 0.00 149 F 8.92 4.27 0.00 3.10 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 0.00 150 K 8.43 4.12 0.00 2.11 2.03 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.47 7.81 151 S 8.03 4.22 0.00 3.89 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 0.00 152 Y 7.28 4.50 0.00 3.07 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 0.00 153 G 8.14 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 0.00 154 T 7.96 4.73 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 1.07 0.00 0.00 155 E 8.90 4.54 0.00 2.08 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 2.31 2.33 0.00 156 I 8.39 4.78 1.97 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.85 1.11 0.00 0.00 157 V 9.22 4.28 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 1.29 0.00 0.00 1.07 0.00 0.00 158 I 8.29 4.78 1.91 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.89 0.93 0.00 0.00 159 I 8.54 3.48 1.80 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 0.24 0.37 0.79 0.00 0.00 160 N 8.78 4.74 0.00 2.73 2.70 0.00 0.00 7.41 6.81 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 0.00 161 K 8.76 4.00 0.00 1.81 1.72 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.04 7.81 162 K 7.85 4.41 0.00 1.73 1.81 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.33 7.81 163 H 7.71 3.61 0.00 3.01 2.42 0.00 5.76 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 K 8.42 3.78 0.00 1.67 1.63 0.00 1.78 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.39 7.81 165 T 8.14 4.26 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 0.00 166 P 0.00 4.32 0.00 2.25 2.05 0.00 3.79 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 167 Q 8.81 4.08 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.87 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 168 E 8.30 4.01 0.00 2.27 2.28 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 2.53 2.64 0.00 169 E 8.26 4.09 0.00 2.18 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 2.27 2.43 0.00 170 L 7.77 4.00 0.00 1.87 1.73 0.93 1.11 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 0.00 171 V 8.11 3.62 2.23 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 1.06 0.00 0.00 0.95 0.00 0.00 172 E 8.47 4.12 0.00 2.40 2.19 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 2.51 2.98 0.00 173 D 8.40 4.38 0.00 2.76 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 L 7.94 4.04 0.00 1.90 1.96 0.96 0.89 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 0.00 175 I 7.85 3.73 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.59 0.96 0.00 0.00 176 T 8.18 3.95 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 1.28 0.00 0.00 177 I 7.79 4.01 2.04 0.00 0.00 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 1.62 1.05 1.25 0.00 0.00 178 V 8.20 3.69 2.19 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 1.00 0.00 0.00 1.02 0.00 0.00 179 S 8.28 4.36 0.00 4.07 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 0.00 180 H 8.39 4.07 0.00 3.31 3.55 0.00 5.83 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 0.00 181 F 8.85 3.97 0.00 3.35 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 0.00 182 A 9.16 4.16 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 G 8.68 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 K 7.66 4.03 0.00 1.71 1.76 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.21 7.81 185 L 7.21 4.15 0.00 0.91 0.18 0.78 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 186 Y 7.77 5.03 0.00 3.07 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 0.00 187 G 7.98 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 *189 H 8.69 4.70 0.00 2.97 3.00 0.00 7.20 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 S 7.56 4.65 0.00 4.03 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 0.00 191 H 8.61 4.30 0.00 3.25 3.34 0.00 5.67 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 0.00 192 K 8.00 3.78 0.00 1.47 0.74 0.00 0.61 0.00 0.00 1.16 0.00 0.00 2.72 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.27 1.08 7.81 193 Y 7.80 4.29 0.00 3.47 3.22 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 0.00 194 K 7.88 3.92 0.00 1.96 1.78 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.78 7.81 195 K 7.73 3.84 0.00 1.68 1.69 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.45 7.81 196 L 7.48 3.91 0.00 1.86 1.66 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 197 T 7.36 3.73 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 0.62 0.00 0.00 198 K 8.02 4.03 0.00 1.99 2.06 0.00 1.28 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.73 1.35 7.81 199 T 8.07 3.92 4.21 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 1.20 0.00 0.00 200 V 7.98 3.53 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 1.00 0.00 0.00 0.94 0.00 0.00 201 K 8.00 3.89 0.00 2.03 1.83 0.00 1.85 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.47 7.81 202 E 8.08 4.16 0.00 2.12 1.84 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 2.26 2.22 0.00 203 I 7.65 4.17 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.61 0.91 0.00 0.00 204 V 7.82 4.32 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 0.74 0.00 0.00 0.93 0.00 0.00 205 R 8.19 4.43 0.00 1.73 1.63 0.00 3.27 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.42 0.00 * Residues marked with a * may have inaccurate shift predictions.