NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 H 4.7428 8.4331 117.7759 55.8261 31.8939 176.2476 24 G 3.9543 8.8913 115.8122 45.0190 0.0000 169.6595 25 K 5.2616 10.2180 123.6725 54.9243 34.6899 173.6657 26 L 5.4933 9.5971 126.7847 52.9986 45.6434 175.2796 27 L 5.2351 8.5745 121.3115 53.0440 44.7806 175.4847 28 F 5.3032 9.3633 122.1728 56.0566 41.2465 174.7026 29 L 4.1149 9.2537 123.1497 52.2716 45.6640 175.3649 30 G 3.5658 7.8904 104.8793 42.4041 0.0000 173.1505 31 L 4.2408 7.9916 120.5995 54.0339 42.4042 176.7888 32 D 4.4036 8.4056 120.4498 55.2025 39.6297 176.7181 33 N 4.6123 9.0544 120.2688 53.1863 37.7676 174.6906 34 A 4.0404 7.5009 120.2663 56.2316 18.8339 177.8273 35 G 3.8328 8.4074 104.3288 45.8272 0.0000 176.0875 36 K 3.9425 8.4428 121.5548 59.7664 32.1503 179.3452 37 T 4.0764 7.8896 115.3701 66.8847 68.4676 176.9005 38 T 3.9408 7.8582 117.4208 66.1436 68.5157 176.5584 39 L 3.7451 7.8878 122.2602 57.8878 42.2263 178.3495 40 L 3.8805 8.0626 120.3893 58.7787 41.8824 178.4719 41 H 4.0992 8.2892 117.7733 59.3437 29.6166 176.8644 42 M 4.2106 7.6844 120.7471 58.2678 31.9726 178.1109 43 L 3.6335 7.9918 118.1996 57.6384 41.7831 179.4609 44 K 4.0318 8.3387 119.0274 58.9842 32.4204 177.9059 45 N 4.7489 8.2568 113.2489 51.5716 39.5013 173.9327 46 D 4.5213 8.8878 119.6579 54.9900 40.7242 173.3923 47 R 4.6858 7.5128 113.4436 53.9007 34.2342 174.1702 48 L 4.3525 8.4804 122.9985 54.0706 43.0702 175.6536 49 A 4.6040 8.1859 127.0565 50.6644 22.2795 175.0017 50 T 4.4084 8.3398 113.6215 60.3486 68.8336 173.2916 51 L 4.7988 8.1555 127.9816 52.3524 44.8744 176.2674 52 Q 4.2460 8.2531 117.9751 54.8018 29.4404 174.1936 53 P 4.2280 0.0000 0.0000 63.1504 31.6784 176.7599 54 T 3.9765 8.5932 120.0935 63.9188 68.6289 173.3349 55 W 4.7350 8.7035 135.0000 58.8939 31.6132 175.4156 56 H 5.0177 7.5846 115.0964 53.0752 30.6911 172.9665 57 P 4.8144 0.0000 0.0000 63.1915 32.0073 175.8352 58 T 4.8951 8.7203 111.8811 60.2483 72.5416 172.6764 59 S 5.3616 8.2136 115.9703 55.8424 66.2078 172.8320 60 E 4.6421 7.9967 118.4159 54.9508 34.2080 173.8095 61 E 4.8657 8.6366 121.9435 55.1401 30.9871 175.4225 62 L 4.7971 9.2390 124.5725 52.1589 44.8802 177.0231 63 A 4.9743 8.0287 124.5961 51.4771 19.4345 177.9050 64 I 3.8541 7.8466 123.6448 62.6636 38.7710 176.6607 65 G 3.9728 8.4479 115.8345 47.3926 0.0000 173.5647 66 N 4.9007 8.9889 121.9080 52.5135 38.8478 173.7638 67 I 4.2571 7.4523 119.0018 59.2678 39.1385 175.5735 68 K 4.5583 8.3347 126.5407 55.0897 32.2606 174.6397 69 F 4.9294 9.1729 126.6083 56.8920 40.8014 175.1060 70 T 4.7614 9.1274 121.5865 62.9224 69.6654 173.7279 71 T 5.0382 8.6848 117.9396 59.8093 71.5857 173.1716 72 F 4.9094 9.4940 124.8594 55.8003 41.3786 174.0096 73 D 5.0798 8.9912 124.6638 52.6939 42.6119 175.2218 74 L 4.9447 7.9842 124.6465 52.5587 44.6317 176.6280 75 G 3.8451 8.7769 110.5969 45.6839 0.0000 174.1523 76 G 4.2515 9.0160 112.2694 45.2806 0.0000 173.7048 77 H 5.2017 8.0279 115.5073 54.8294 29.4238 175.9046 78 I 3.5227 8.6400 121.0523 64.8439 37.4077 178.1675 79 Q 3.9957 8.1330 116.3914 58.5887 28.7988 177.8249 80 A 4.3072 7.5641 120.2811 53.1094 18.8961 179.0754 81 R 2.6602 7.3906 116.7537 57.5793 29.7074 178.4329 82 R 4.0026 7.5910 114.1107 57.7489 30.0436 177.3981 83 L 4.3294 8.0471 119.4498 56.6709 42.5850 178.7200 84 W 4.5147 8.0957 119.7956 60.0550 28.8813 178.3373 85 K 2.4800 7.9416 117.5644 59.7497 31.3526 178.3355 86 D 4.2589 8.0221 118.9362 56.2530 40.7262 177.0289 87 Y 4.2789 7.7550 115.1648 57.6386 38.9394 177.1230 88 F 4.8175 7.8170 120.9664 58.8321 38.8386 173.5982 89 P 4.3876 0.0000 0.0000 64.2145 31.2998 175.4874 90 E 3.8191 8.8744 122.3531 57.2572 26.9436 174.5775 91 V 3.9503 7.5989 117.8054 62.9315 32.0937 175.3990 92 N 4.8097 8.7047 123.6843 53.8505 39.5523 175.0399 93 G 4.1257 7.4649 103.8356 45.6550 0.0000 172.8551 94 I 4.7085 7.9925 121.3159 59.2203 40.9223 174.9087 95 V 4.0553 8.5223 128.8931 61.7562 32.6430 174.6095 96 F 4.8313 9.3798 132.3799 56.5099 40.6012 174.7093 97 L 4.7852 7.7420 126.6583 54.2892 43.0486 176.9518 98 V 4.4062 8.4265 120.6412 61.3548 35.5269 173.1749 99 D 4.8030 9.0194 127.2615 54.2700 41.2450 176.5616 100 A 4.2675 9.2936 130.8697 54.4963 18.6063 177.5852 101 A 4.8798 8.0325 117.4348 51.4236 19.9788 177.0884 102 D 4.7409 7.7656 115.2203 53.5425 40.7758 174.7594 103 P 2.9700 0.0000 0.0000 64.8220 31.9840 179.1062 104 E 3.9930 7.2110 115.9256 58.3233 29.4987 177.7304 105 R 4.6217 7.9886 116.2055 55.5089 31.3791 177.3283 106 F 4.5524 7.8991 118.2996 61.0962 38.8995 176.9993 107 D 4.2622 8.2565 116.9770 57.3868 40.9659 177.8165 108 E 4.0158 8.1823 119.2073 59.1343 29.6355 178.2955 109 A 4.2556 8.5485 121.2438 55.0869 18.5685 179.3561 110 R 3.7724 8.9133 117.8346 59.6255 30.2951 178.4857 111 V 3.5813 7.7577 117.4419 66.2676 31.6696 177.7852 112 E 4.0735 8.0091 118.2205 59.2990 29.2820 179.1582 113 L 3.3486 8.1070 120.4959 58.1750 41.9594 178.7872 114 D 4.4845 8.0411 118.5485 57.3348 40.4816 178.6145 115 A 4.0685 7.7474 120.3402 55.1345 18.6403 179.4567 116 L 4.1830 7.7598 117.0585 58.0395 41.5847 179.5298 117 F 4.3583 7.8819 116.6128 59.7692 38.7966 176.2810 118 N 5.0897 7.7735 115.1294 51.9064 40.0707 174.3661 119 I 4.2959 7.3592 122.1139 59.6036 38.6723 176.4927 120 A 4.0083 8.9400 129.0708 55.4032 18.4357 178.7784 121 E 3.9493 8.4269 114.5877 59.3286 29.6846 177.5650 122 L 4.3978 7.8640 116.3407 54.9370 42.2049 178.8545 123 K 3.9713 7.4389 121.0652 59.0414 32.4078 176.3939 124 D 4.8660 7.9016 115.0843 53.8077 41.3599 175.7527 125 V 4.0508 8.5784 121.7300 61.9193 32.3185 174.3618 126 P 4.7910 0.0000 0.0000 62.7422 33.0952 175.1376 127 F 5.2894 9.5639 121.7244 55.8416 42.4576 173.9998 128 V 4.6103 8.7452 124.3914 61.2777 33.6137 174.2442 129 I 4.8550 8.8475 129.3688 59.7872 39.4762 174.5776 130 L 5.0775 9.0162 127.7074 52.9435 44.0895 176.4085 131 G 4.1839 9.1058 113.9266 45.4605 0.0000 171.6158 132 N 5.2073 9.2259 126.6243 52.4208 41.2357 174.2338 133 K 4.5494 8.7737 118.0931 58.0944 28.4817 178.5403 134 I 3.8577 7.7297 113.2727 63.5151 38.3650 177.3292 135 D 4.3588 8.2034 120.5946 55.7925 39.4722 176.3075 136 A 4.4550 7.3871 122.3641 51.5094 19.0547 175.7493 137 P 4.3677 0.0000 0.0000 66.0632 32.1281 178.5317 138 N 4.6903 8.0681 114.8001 52.9922 38.3983 174.8723 139 A 4.2342 7.5278 120.4065 52.3235 18.3349 176.4124 140 V 4.4827 7.9532 115.3799 61.3522 34.8002 174.3331 141 S 4.8746 8.0618 114.8143 56.1108 66.2937 174.3431 142 E 3.8206 8.7159 123.4098 60.0186 29.3949 178.5081 143 A 3.9041 8.1448 119.4844 55.5992 18.0110 178.8432 144 E 3.9152 8.0226 115.6947 60.0251 30.1027 179.0750 145 L 3.5559 8.2415 119.5602 58.2984 41.8685 179.2115 146 R 3.7964 8.3477 117.4649 59.5327 30.3566 178.9631 147 S 4.0534 7.9706 114.0665 61.7138 62.6849 176.7915 148 A 4.1944 7.9683 121.6314 53.9270 18.1774 178.4648 149 L 4.5608 7.5186 114.7102 53.2789 42.9041 176.1663 150 G 3.9368 7.8613 106.4401 47.1679 0.0000 174.1102 151 L 4.7699 8.1601 116.7839 53.8678 42.6386 178.8091 152 L 4.0286 8.1803 120.5653 56.9798 41.9228 177.4987 153 N 4.8526 7.9626 115.9191 51.5149 39.9355 173.8249 154 T 4.7847 7.9873 112.0777 59.6099 73.2454 176.3137 155 T 4.5750 7.6194 121.9725 60.9430 66.2346 175.9652 156 G 3.8594 9.4242 114.3979 46.0294 0.0000 172.8075 *160 I 4.1078 7.0784 121.1520 61.2498 39.5698 174.5395 161 E 4.1859 8.5830 120.0383 56.6366 29.2404 177.7094 162 G 4.0944 9.1686 109.1315 45.8457 0.0000 173.0556 163 Q 4.3809 7.7051 118.1196 53.9806 30.3563 175.1501 164 R 4.0623 8.0710 119.9937 55.1495 30.9076 174.1895 165 P 4.3903 0.0000 0.0000 62.6654 32.4603 175.5441 166 V 5.0107 8.5739 124.2727 61.5139 34.6118 173.3818 167 E 4.7470 8.8866 127.6716 54.2655 33.6323 173.9656 168 V 4.9354 8.1089 122.6377 61.0617 34.1336 174.9021 169 F 4.6533 9.5081 125.2953 56.0580 42.9562 173.6229 170 M 4.9394 8.7195 123.7476 54.8535 33.8517 175.1034 171 C 4.9146 9.5478 117.7148 57.4187 34.5226 172.8229 172 S 4.4207 9.1504 113.0820 56.7905 64.1238 174.6709 173 V 3.6581 8.5309 127.9211 65.9173 31.6748 177.4592 174 V 3.7803 7.9766 118.2296 66.2852 31.3253 176.8110 175 M 4.1721 8.0013 117.1927 55.9387 32.4420 175.8802 176 R 4.5456 8.2526 117.4927 54.5140 27.5139 174.9198 177 N 4.0948 7.9190 112.9836 53.3865 39.7496 176.5598 178 G 4.1042 9.0790 109.5416 46.6738 0.0000 174.3970 179 Y 4.5802 7.1290 117.3625 59.0775 38.8532 177.6969 180 L 4.1529 7.1623 119.3078 57.4719 42.0366 178.9037 181 E 4.1376 8.1878 117.9759 59.4108 29.6159 178.6168 182 A 2.5800 7.9088 119.9935 55.0782 18.1536 179.5956 183 F 3.8687 8.2002 115.4577 60.6249 38.7362 177.7530 184 Q 4.1271 8.0627 118.2134 58.8320 28.7936 177.7638 185 W 4.3122 8.1429 129.2277 60.1406 30.7893 177.6336 186 L 4.0407 8.1288 120.4293 57.9508 41.3078 178.8928 187 S 4.2570 8.0677 114.5068 61.4514 62.8159 176.0818 188 Q 3.8539 7.2655 118.7411 57.4520 28.2863 175.8549 189 Y 4.2810 7.7266 123.2065 58.1363 39.0918 174.8320 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 23 H 8.43 4.74 0.00 2.98 2.34 0.00 5.66 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.89 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 0.00 0.00 0.00 25 K 10.22 5.26 0.00 1.96 1.94 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.73 7.81 26 L 9.60 5.49 0.00 1.69 1.67 0.67 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.57 5.24 0.00 1.57 1.49 1.16 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 28 F 9.36 5.30 0.00 2.89 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 29 L 9.25 4.11 0.00 1.14 0.29 0.57 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.89 3.57 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 0.00 0.00 0.00 31 L 7.99 4.24 0.00 1.78 1.68 1.09 1.05 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 32 D 8.41 4.40 0.00 2.89 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 33 N 9.05 4.61 0.00 2.81 3.23 0.00 0.00 7.08 7.96 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 34 A 7.50 4.04 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 35 G 8.41 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.44 3.94 0.00 1.92 2.09 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.37 1.45 7.81 37 T 7.89 4.08 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 1.22 0.00 0.00 38 T 7.86 3.94 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 1.23 0.00 0.00 39 L 7.89 3.75 0.00 1.75 1.87 0.43 0.38 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 40 L 8.06 3.88 0.00 1.86 1.84 0.62 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.29 4.10 0.00 3.33 3.41 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 M 7.68 4.21 0.00 2.11 1.94 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.37 0.00 43 L 7.99 3.63 0.00 1.63 1.57 0.74 0.73 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 44 K 8.34 4.03 0.00 1.57 2.02 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.41 7.81 45 N 8.26 4.75 0.00 2.43 2.71 0.00 0.00 7.18 8.67 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 46 D 8.89 4.52 0.00 2.68 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 47 R 7.51 4.69 0.00 1.90 1.84 0.00 3.23 0.00 0.00 3.43 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 48 L 8.48 4.35 0.00 1.60 1.58 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.19 4.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.34 4.41 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 1.19 0.00 0.00 51 L 8.16 4.80 0.00 1.61 1.53 0.86 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 8.25 4.25 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 53 P 0.00 4.23 0.00 2.03 2.07 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.13 0.00 54 T 8.59 3.98 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 1.31 0.00 0.00 55 W 8.70 4.73 0.00 3.13 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 56 H 7.58 5.02 0.00 3.02 3.02 0.00 5.78 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 57 P 0.00 4.81 0.00 2.01 1.57 0.00 3.72 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 2.14 2.03 0.00 58 T 8.72 4.90 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 1.21 0.00 0.00 59 S 8.21 5.36 0.00 2.99 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 60 E 8.00 4.64 0.00 1.68 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 0.00 2.14 2.16 0.00 61 E 8.64 4.87 0.00 1.80 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 2.22 2.26 0.00 62 L 9.24 4.80 0.00 1.61 1.52 0.76 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.03 4.97 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 64 I 7.85 3.85 2.16 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.83 0.91 0.00 0.00 65 G 8.45 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 0.00 0.00 0.00 66 N 8.99 4.90 0.00 2.69 2.81 0.00 0.00 6.59 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 67 I 7.45 4.26 1.31 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 0.85 0.47 -0.31 0.00 0.00 68 K 8.33 4.56 0.00 1.69 1.65 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.19 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.44 7.81 69 F 9.17 4.93 0.00 3.09 3.05 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 70 T 9.13 4.76 4.39 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 1.30 0.00 0.00 71 T 8.68 5.04 3.70 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 0.00 0.00 0.00 1.18 0.00 0.00 72 F 9.49 4.91 0.00 2.93 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.99 5.08 0.00 2.60 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.98 4.94 0.00 1.47 1.64 0.35 0.61 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 75 G 8.78 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 76 G 9.02 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 0.00 0.00 0.00 77 H 8.03 5.20 0.00 3.33 3.46 0.00 5.65 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.64 3.52 1.85 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 1.58 1.23 0.91 0.00 0.00 79 Q 8.13 4.00 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 80 A 7.56 4.31 1.18 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 0.00 0.00 81 R 7.39 2.66 0.00 1.46 0.92 0.00 2.76 0.00 0.00 2.69 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.39 0.00 82 R 7.59 4.00 0.00 1.87 1.99 0.00 3.03 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 83 L 8.05 4.33 0.00 2.00 1.98 1.03 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 84 W 8.10 4.51 0.00 3.42 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 85 K 7.94 2.48 0.00 1.84 1.96 0.00 1.50 0.00 0.00 1.80 0.00 0.00 3.20 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.46 7.81 86 D 8.02 4.26 0.00 3.00 2.44 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 87 Y 7.76 4.28 0.00 2.86 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 F 7.82 4.82 0.00 3.16 3.05 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 89 P 0.00 4.39 0.00 1.99 2.04 0.00 3.71 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.30 0.00 90 E 8.87 3.82 0.00 2.14 2.07 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 2.23 2.29 0.00 91 V 7.60 3.95 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 0.80 0.00 0.00 1.09 0.00 0.00 92 N 8.70 4.81 0.00 2.87 2.94 0.00 0.00 6.83 7.17 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 93 G 7.46 4.13 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 0.00 94 I 7.99 4.71 0.56 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.42 0.21 0.00 0.00 95 V 8.52 4.06 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 0.28 0.00 0.00 0.65 0.00 0.00 96 F 9.38 4.83 0.00 3.01 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 97 L 7.74 4.79 0.00 1.31 1.42 0.50 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.43 4.41 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 1.04 0.00 0.00 1.16 0.00 0.00 99 D 9.02 4.80 0.00 2.83 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 0.00 100 A 9.29 4.27 1.40 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 0.00 0.00 0.00 101 A 8.03 4.88 1.32 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 0.00 0.00 102 D 7.77 4.74 0.00 2.72 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 0.00 103 P 0.00 2.97 0.00 1.93 1.71 0.00 3.44 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.80 0.00 104 E 7.21 3.99 0.00 2.06 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 2.28 2.17 0.00 105 R 7.99 4.62 0.00 1.89 1.97 0.00 3.40 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.77 0.00 106 F 7.90 4.55 0.00 3.09 3.05 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 0.00 107 D 8.26 4.26 0.00 2.77 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 0.00 108 E 8.18 4.02 0.00 2.13 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 2.46 2.42 0.00 109 A 8.55 4.26 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 0.00 110 R 8.91 3.77 0.00 2.06 2.24 0.00 3.43 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 111 V 7.76 3.58 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.00 0.00 0.00 112 E 8.01 4.07 0.00 2.44 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 0.00 2.66 2.62 0.00 113 L 8.11 3.35 0.00 0.90 1.47 -0.27 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 114 D 8.04 4.48 0.00 2.78 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.75 4.07 1.47 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 0.00 116 L 7.76 4.18 0.00 1.78 1.86 1.12 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 117 F 7.88 4.36 0.00 3.09 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 0.00 118 N 7.77 5.09 0.00 2.66 2.83 0.00 0.00 6.95 7.69 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 0.00 119 I 7.36 4.30 1.92 0.00 0.00 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 1.61 1.30 1.01 0.00 0.00 120 A 8.94 4.01 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.43 3.95 0.00 2.05 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 2.40 2.43 0.00 122 L 7.86 4.40 0.00 1.64 1.73 0.12 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 123 K 7.44 3.97 0.00 1.88 1.84 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.45 7.81 124 D 7.90 4.87 0.00 2.70 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 0.00 125 V 8.58 4.05 2.45 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 0.77 0.00 0.00 1.05 0.00 0.00 126 P 0.00 4.79 0.00 2.19 1.82 0.00 3.79 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.08 0.00 127 F 9.56 5.29 0.00 3.08 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 0.00 128 V 8.75 4.61 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 0.63 0.00 0.00 1.03 0.00 0.00 129 I 8.85 4.86 1.98 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.86 0.96 0.00 0.00 130 L 9.02 5.08 0.00 1.44 1.54 0.73 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 131 G 9.11 4.18 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 148 A 7.97 4.19 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 L 7.52 4.56 0.00 1.53 1.63 0.81 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.86 3.94 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 0.00 0.00 0.00 151 L 8.16 4.77 0.00 1.52 1.60 0.94 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 152 L 8.18 4.03 0.00 1.60 1.70 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 153 N 7.96 4.85 0.00 2.63 2.68 0.00 0.00 6.65 7.54 0.00 0.00 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 7.99 4.78 4.52 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 1.17 0.00 0.00 155 T 7.62 4.57 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 1.59 0.00 0.00 156 G 9.42 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *160 I 7.08 4.11 1.94 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.71 1.04 0.00 0.00 161 E 8.58 4.19 0.00 1.93 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 0.00 2.23 2.29 0.00 162 G 9.17 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 0.00 0.00 0.00 163 Q 7.71 4.38 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.87 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 164 R 8.07 4.06 0.00 1.70 1.71 0.00 2.96 0.00 0.00 2.89 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 165 P 0.00 4.39 0.00 1.38 0.91 0.00 3.39 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.59 0.00 166 V 8.57 5.01 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 1.10 0.00 0.00 0.88 0.00 0.00 167 E 8.89 4.75 0.00 1.28 1.12 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 1.47 1.47 0.00 168 V 8.11 4.94 1.90 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 0.77 0.00 0.00 0.86 0.00 0.00 169 F 9.51 4.65 0.00 2.84 3.02 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 0.00 170 M 8.72 4.94 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.57 0.00 171 C 9.55 4.91 0.00 3.32 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 0.00 172 S 9.15 4.42 0.00 3.93 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 0.00 173 V 8.53 3.66 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 0.62 0.00 0.00 0.83 0.00 0.00 174 V 7.98 3.78 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 0.88 0.00 0.00 0.95 0.00 0.00 175 M 8.00 4.17 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.69 0.00 176 R 8.25 4.55 0.00 2.06 2.13 0.00 3.22 0.00 0.00 3.19 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.92 0.00 177 N 7.92 4.09 0.00 2.83 2.83 0.00 0.00 6.30 6.92 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 0.00 178 G 9.08 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 0.00 0.00 0.00 179 Y 7.13 4.58 0.00 3.44 3.29 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 0.00 180 L 7.16 4.15 0.00 1.47 1.76 0.88 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 181 E 8.19 4.14 0.00 2.23 2.24 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 2.49 2.51 0.00 182 A 7.91 2.58 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 F 8.20 3.87 0.00 3.31 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 0.00 184 Q 8.06 4.13 0.00 2.20 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.00 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 185 W 8.14 4.31 0.00 3.70 3.37 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 0.00 186 L 8.13 4.04 0.00 2.06 1.90 1.06 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 187 S 8.07 4.26 0.00 4.18 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 0.00 188 Q 7.27 3.85 0.00 0.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.75 0.00 0.00 0.00 0.00 0.00 2.13 2.34 0.00 189 Y 7.73 4.28 0.00 2.75 2.70 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.