NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8030 8.3393 109.7269 45.5745 0.0000 172.5995 2 I 4.0233 7.8207 113.7707 59.1155 39.2411 173.1960 3 S 4.5252 8.6145 116.2581 56.2937 67.4210 175.1243 4 Y 4.2348 8.5155 120.8197 59.0577 37.7671 176.7361 5 S 4.5716 8.9102 118.9461 58.3004 63.5960 174.1401 6 V 4.4493 7.2732 119.5624 60.8795 34.3922 174.8227 7 E 4.0884 8.6303 124.9485 56.5002 29.9813 176.6274 8 A 4.3813 8.0362 124.4042 50.5586 21.9262 175.4331 9 D 4.4682 8.7269 123.7618 53.1714 41.3964 174.9810 10 P 4.3130 0.0000 0.0000 65.8616 31.1413 177.0358 11 D 4.6971 8.6952 117.6698 56.1308 41.2179 176.9511 12 T 5.2501 8.2910 108.6934 61.5406 70.8186 173.0784 13 T 4.9728 8.0227 114.2549 61.0706 70.7467 172.5442 14 A 4.6747 8.7694 128.4075 50.0154 22.3912 175.2752 15 K 5.0279 8.1532 119.0085 54.8511 35.8328 175.0364 16 A 4.6703 8.6895 119.9064 52.0227 22.8574 175.4421 17 M 5.2224 8.6049 118.1110 54.0059 36.4349 174.3162 18 L 4.8278 8.7760 121.0348 53.1019 45.1262 175.7557 19 R 4.6539 8.2094 119.6581 55.1961 33.4858 175.5920 20 E 3.6892 8.9818 123.3667 57.1953 27.8962 175.9801 21 R 4.1425 8.6033 119.6649 56.1101 31.8298 177.7541 22 Q 5.3125 8.9789 123.7768 55.2484 28.5194 174.7117 23 M 4.5387 8.1017 119.4751 54.0515 34.2712 174.5913 24 S 4.0687 8.5061 114.4078 58.6342 63.1324 174.8410 25 F 4.4210 8.9196 129.7514 61.2157 39.1113 177.2844 26 K 3.5471 7.8302 117.8132 59.6549 31.8357 178.8985 27 H 4.0291 8.4866 116.8343 58.7177 28.4666 178.0912 28 S 4.2191 7.7963 116.7485 61.4671 62.5936 176.7952 29 K 3.7476 7.5904 120.7497 59.2189 31.7309 179.1055 30 A 3.8277 7.3698 121.0440 55.2281 18.1843 179.8482 31 I 3.4686 7.6904 117.9255 64.4039 37.1175 178.1106 32 A 3.9085 7.8962 121.8297 55.3750 17.9603 179.2617 33 R 3.7269 7.9478 116.0893 59.8509 30.1363 177.9897 34 E 3.9450 7.7689 117.7579 58.8856 29.9158 178.1691 35 I 3.8528 7.8951 112.5235 61.0673 38.1772 175.8226 36 K 3.8769 7.3611 122.0818 58.2746 32.3270 175.7059 37 G 4.0188 8.6551 113.9602 45.6331 0.0000 173.9427 38 K 4.3504 8.0078 118.7972 56.2001 33.5455 175.2280 39 T 4.9073 8.7425 116.1064 62.2381 70.9761 175.5729 40 A 4.0969 8.6101 128.6796 55.3643 18.4249 180.3967 41 G 3.5770 7.9339 103.5603 48.0787 0.0000 175.4382 42 E 3.9770 8.3051 120.9751 58.9950 29.4998 179.0512 43 A 4.0518 8.6564 120.9166 55.3217 18.4025 179.7925 44 V 3.5577 7.8698 116.3456 66.5041 31.4610 177.8600 45 D 4.4026 8.1773 117.2927 57.5663 40.9652 178.2151 46 Y 4.2161 8.3103 120.1884 60.8195 38.8827 177.7090 47 L 3.8836 8.6031 120.2273 58.0187 41.7073 179.6191 48 E 3.9673 8.4812 118.3269 59.1855 29.2920 179.1628 49 A 3.9935 8.0035 121.0474 54.7535 18.2572 180.0120 50 V 4.2341 7.1013 117.7309 65.9476 31.6131 178.1952 51 I 3.6769 7.7731 118.3483 64.1997 36.9516 177.4445 52 E 4.1738 7.9503 118.8724 56.7616 29.5726 177.3218 53 G 3.4833 8.1491 106.5758 45.5946 0.0000 173.6810 54 D 4.6064 8.1855 119.8445 54.3571 41.9177 176.4249 55 Q 4.5034 7.8899 120.2358 53.3706 31.2121 172.3985 56 P 4.2559 0.0000 0.0000 62.0775 33.3294 175.3209 57 V 4.4910 8.0908 120.9811 59.6475 33.3747 173.2626 58 P 4.6976 0.0000 0.0000 63.2412 31.8489 176.5098 59 F 4.8231 9.0426 124.3855 56.2473 38.1875 175.4063 60 K 3.7331 8.3837 122.9833 57.3642 32.8695 177.8884 61 Q 4.2358 7.9254 117.8263 57.4123 30.2580 175.6655 62 H 4.8158 7.6455 115.4799 54.1007 27.7354 173.6524 63 N 5.2418 7.9593 116.1782 52.0082 38.3101 175.1138 64 S 4.3156 8.2541 114.0528 60.1495 63.1643 174.8705 65 G 3.9714 8.9837 112.9625 45.4021 0.0000 173.7621 66 V 3.6857 7.5619 120.2946 62.6596 32.0135 176.0085 67 G 3.8021 8.3802 115.7708 45.2744 0.0000 173.1409 68 H 4.5849 8.3790 118.2997 55.4153 29.7608 175.2264 69 K 4.6185 8.6847 120.8276 54.3981 35.0324 177.9067 70 S 4.1546 8.9175 118.9208 61.3546 63.0489 175.9161 71 K 4.0896 7.9488 118.6421 58.0511 32.0663 177.2775 72 V 3.7197 7.4626 119.5254 62.5628 31.9590 174.3904 73 D 4.7155 8.7812 126.7331 53.7613 42.3807 176.9255 74 G 3.9418 9.6585 113.7085 45.5880 0.0000 172.0834 75 W 5.2870 7.6568 127.6026 56.3525 34.1219 172.7858 76 D 4.3562 6.4077 116.5337 54.3084 40.9885 176.3264 77 A 4.2474 6.9084 124.7317 51.2287 19.5898 177.6938 *78 G 3.9501 8.1746 106.7099 45.2966 0.0000 174.1244 79 R 4.0204 6.7742 118.6751 55.3228 34.4052 173.2674 80 Y 4.7623 7.9741 111.7343 55.8652 38.0605 175.8156 81 P 4.6176 0.0000 0.0000 62.4925 29.8112 176.5547 82 E 4.0103 8.4484 125.9268 59.7993 29.8417 178.8969 83 K 3.9193 8.1041 119.8393 59.4813 32.4607 178.5535 84 A 4.2037 8.0884 120.4838 55.1937 18.3821 179.5984 85 S 4.1219 8.2078 113.8180 61.7751 62.9221 176.9754 86 K 4.0143 8.5383 121.3052 59.5620 31.7017 179.2665 87 A 4.0787 8.1978 120.9308 55.1635 18.1725 179.6868 88 F 3.9901 8.4598 116.3954 60.3419 38.9211 178.0122 89 L 4.1039 8.1465 118.9957 57.9269 41.3978 179.2172 90 D 4.4235 8.2273 118.9195 56.9672 40.6747 178.7056 91 L 3.8854 7.6304 120.8339 58.2460 42.1015 179.0706 92 L 4.1768 8.3381 119.3305 57.4392 41.4512 179.0700 93 E 3.9194 8.5793 119.9271 59.3380 29.5712 178.4248 94 N 4.2715 8.1617 116.7177 56.8859 38.9545 176.1792 95 A 3.9639 8.5942 122.4565 55.2018 18.3740 179.4061 96 V 3.6209 8.4123 116.0034 66.1847 31.5308 178.3573 97 G 3.7530 8.2410 105.0789 48.2253 0.0000 174.7791 98 N 4.2923 8.2931 118.5225 55.9227 39.1374 176.8495 99 A 4.1643 8.3216 122.0000 55.5461 18.4053 179.4245 100 D 4.5248 8.5005 117.3190 57.9324 40.8592 178.4021 101 H 3.9481 8.3431 116.7268 58.3448 29.9330 175.7674 102 Q 4.5084 7.6721 117.0307 55.7050 29.6220 175.5301 103 G 3.9715 8.9258 109.2633 45.7872 0.0000 174.2441 104 F 4.3276 7.9593 117.2327 57.6459 39.2955 174.7109 105 D 4.7594 8.4620 120.9018 52.1933 39.9876 176.6048 106 G 3.9002 8.6933 111.3985 48.7849 0.0000 173.3053 107 E 3.9156 8.4492 118.4272 58.6339 29.8906 179.7469 108 A 4.0652 7.6947 118.8446 55.1993 18.8412 177.9556 109 M 4.3921 7.8584 115.0763 56.1884 33.3125 176.1314 110 T 4.7900 8.6184 118.2845 62.6530 71.1814 174.7494 111 I 4.3583 8.6658 126.8511 60.5801 36.2239 176.4733 112 K 4.0277 8.9087 128.9987 59.1585 32.8577 176.2684 113 H 5.0657 7.7696 117.8676 54.6402 33.9110 172.7973 114 V 5.5104 7.7362 116.8286 61.8465 32.8781 170.9995 115 A 4.8245 8.0539 126.9916 49.9905 22.6805 174.1491 116 A 5.2389 8.5922 121.8633 50.9479 21.5138 176.3089 117 H 4.9986 9.5334 117.1037 53.7224 33.1822 172.7832 118 K 3.6881 7.9195 124.7723 56.3606 31.8121 176.5361 119 V 3.8524 9.4342 128.3216 62.9014 32.4339 176.1022 120 G 4.0451 6.6685 106.8050 45.4208 0.0000 170.4922 121 E 5.0388 7.8818 118.0652 54.4261 33.2145 175.7520 122 Q 4.3649 9.2183 125.7094 55.0179 30.1358 174.9169 123 Q 4.7809 8.7413 126.2472 56.1182 29.8498 175.6715 124 G 4.4759 9.6637 108.8888 44.4353 0.0000 171.2199 125 R 5.3013 8.5571 119.5354 54.1638 33.5436 174.2862 126 K 4.3848 8.9180 125.9006 53.6756 35.1218 173.5803 127 P 4.5850 0.0000 0.0000 62.9951 31.9631 175.6550 128 R 4.7767 8.9874 122.2487 53.7027 34.1008 175.0676 129 A 4.0933 8.3698 122.4309 53.5493 18.9090 177.4995 130 M 3.1343 9.1413 116.0675 56.2748 29.1489 177.6460 131 G 3.8784 8.3520 104.4388 46.4288 0.0000 173.7551 132 R 4.8210 7.5232 118.0044 53.9855 33.4427 174.1096 133 A 5.3542 8.5875 124.6760 50.1509 22.4537 174.9523 134 S 4.9184 8.8198 113.5674 55.8479 67.1109 173.1107 135 A 4.5193 8.5692 121.6226 52.0782 18.7198 178.2071 136 W 5.0420 9.0405 130.0415 56.3665 31.5668 173.3468 137 N 5.0216 8.0282 120.8534 51.7247 41.1165 174.4629 138 S 4.7513 8.6398 115.6707 56.1404 66.1693 172.8136 139 P 4.6899 0.0000 0.0000 62.6034 33.0663 175.2263 140 Q 4.8168 9.2419 121.3095 54.2842 31.6074 174.6670 141 V 4.8225 9.0767 124.7943 61.1481 34.3821 174.1425 142 D 5.5301 8.8406 126.9398 52.8491 44.3477 175.5653 143 V 5.0259 8.1122 119.6431 60.6359 35.2220 172.5038 144 E 5.0864 9.0206 122.2004 54.5552 32.5788 174.5515 145 L 5.3334 9.1703 123.4020 53.5754 46.1830 174.9655 146 I 5.0029 9.1543 126.1891 59.6282 40.7551 174.3167 147 L 5.2292 9.1877 127.2342 53.1741 44.4144 175.2476 148 E 4.9696 8.9396 122.3097 54.1214 33.4947 174.3252 149 E 4.3237 8.6995 126.0658 56.0186 30.2940 175.5986 150 P 4.3949 0.0000 0.0000 63.3001 31.1209 175.9969 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 1 G 8.34 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 2 I 7.82 4.02 1.63 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.56 0.70 0.00 0.00 3 S 8.61 4.53 0.00 3.78 3.75 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 4 Y 8.52 4.23 0.00 2.96 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 5 S 8.91 4.57 0.00 4.03 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 6 V 7.27 4.45 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 0.81 0.00 0.00 0.60 0.00 0.00 7 E 8.63 4.09 0.00 1.98 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 2.31 2.30 0.00 8 A 8.04 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.73 4.47 0.00 2.69 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.31 0.00 2.23 2.18 0.00 3.81 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 11 D 8.70 4.70 0.00 2.83 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 12 T 8.29 5.25 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 1.35 0.00 0.00 13 T 8.02 4.97 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 1.09 0.00 0.00 14 A 8.77 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.15 5.03 0.00 1.39 1.34 0.00 1.18 0.00 0.00 0.61 0.00 0.00 2.39 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.84 1.07 7.81 16 A 8.69 4.67 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 17 M 8.60 5.22 0.00 1.76 1.87 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.59 0.00 18 L 8.78 4.83 0.00 1.41 1.43 0.66 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.21 4.65 0.00 1.60 1.74 0.00 3.44 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 20 E 8.98 3.69 0.00 1.99 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 2.24 2.22 0.00 21 R 8.60 4.14 0.00 1.77 1.86 0.00 3.27 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 22 Q 8.98 5.31 0.00 1.95 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.82 0.00 0.00 0.00 0.00 0.00 2.47 2.19 0.00 23 M 8.10 4.54 0.00 2.01 2.06 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 2.51 2.53 0.00 24 S 8.51 4.07 0.00 3.66 3.63 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 25 F 8.92 4.42 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 26 K 7.83 3.55 0.00 1.58 1.47 0.00 1.56 0.00 0.00 1.38 0.00 0.00 2.73 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.11 1.37 7.81 27 H 8.49 4.03 0.00 3.26 3.33 0.00 5.64 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 28 S 7.80 4.22 0.00 4.08 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 29 K 7.59 3.75 0.00 1.55 1.62 0.00 1.43 0.00 0.00 1.40 0.00 0.00 2.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.85 0.83 7.81 30 A 7.37 3.83 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 0.00 0.00 0.00 0.00 0.00 31 I 7.69 3.47 1.08 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.72 0.19 0.00 0.00 32 A 7.90 3.91 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 7.95 3.73 0.00 1.70 2.15 0.00 3.11 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 34 E 7.77 3.95 0.00 2.09 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 2.36 1.94 0.00 35 I 7.90 3.85 1.84 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 1.64 0.46 0.90 0.00 0.00 36 K 7.36 3.88 0.00 1.71 1.73 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.40 7.81 37 G 8.66 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.01 4.35 0.00 1.87 1.85 0.00 1.44 0.00 0.00 1.51 0.00 0.00 2.71 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.42 7.81 39 T 8.74 4.91 4.47 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 1.36 0.00 0.00 40 A 8.61 4.10 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 41 G 7.93 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.31 3.98 0.00 2.13 2.04 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 2.42 2.41 0.00 43 A 8.66 4.05 1.43 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 0.00 0.00 44 V 7.87 3.56 2.27 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 1.06 0.00 0.00 1.02 0.00 0.00 45 D 8.18 4.40 0.00 2.89 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 46 Y 8.31 4.22 0.00 3.12 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 47 L 8.60 3.88 0.00 1.72 1.74 1.06 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.48 3.97 0.00 2.16 1.99 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 2.34 2.65 0.00 49 A 8.00 3.99 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 50 V 7.10 4.23 2.04 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 1.02 0.00 0.00 0.27 0.00 0.00 51 I 7.77 3.68 1.86 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 1.42 0.88 0.91 0.00 0.00 52 E 7.95 4.17 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 2.32 2.37 0.00 53 G 8.15 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.19 4.61 0.00 2.65 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 55 Q 7.89 4.50 0.00 2.04 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.98 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 56 P 0.00 4.26 0.00 1.74 1.51 0.00 3.82 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 57 V 8.09 4.49 2.22 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 1.26 0.00 0.00 0.94 0.00 0.00 58 P 0.00 4.70 0.00 1.98 2.10 0.00 3.76 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 2.05 2.19 0.00 59 F 9.04 4.82 0.00 2.94 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 60 K 8.38 3.73 0.00 1.25 0.74 0.00 1.37 0.00 0.00 1.20 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.46 1.04 7.81 61 Q 7.93 4.24 0.00 1.79 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.30 0.00 0.00 0.00 0.00 0.00 1.69 2.15 0.00 62 H 7.65 4.82 0.00 2.96 3.14 0.00 5.69 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 N 7.96 5.24 0.00 3.03 3.52 0.00 0.00 5.86 7.51 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 64 S 8.25 4.32 0.00 4.04 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 65 G 8.98 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 V 7.56 3.69 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 0.67 0.00 0.00 1.13 0.00 0.00 67 G 8.38 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 68 H 8.38 4.58 0.00 3.06 3.14 0.00 5.66 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.68 4.62 0.00 1.66 1.62 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.25 1.26 7.81 70 S 8.92 4.15 0.00 3.97 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 71 K 7.95 4.09 0.00 1.80 1.95 0.00 1.90 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.46 7.81 72 V 7.46 3.72 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 0.88 0.00 0.00 0.92 0.00 0.00 73 D 8.78 4.72 0.00 2.81 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.66 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 75 W 7.66 5.29 0.00 3.38 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 76 D 6.41 4.36 0.00 1.93 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 0.00 0.00 0.00 77 A 6.91 4.25 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.17 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 79 R 6.77 4.02 0.00 0.67 1.46 0.00 2.98 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.11 0.00 80 Y 7.97 4.76 0.00 2.81 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 81 P 0.00 4.62 0.00 2.30 2.05 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 82 E 8.45 4.01 0.00 2.24 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 2.39 2.41 0.00 83 K 8.10 3.92 0.00 1.90 1.92 0.00 1.77 0.00 0.00 1.88 0.00 0.00 3.15 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.57 1.56 7.81 84 A 8.09 4.20 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.21 4.12 0.00 4.09 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.54 4.01 0.00 2.02 1.91 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.74 7.81 87 A 8.20 4.08 1.43 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 0.00 0.00 88 F 8.46 3.99 0.00 3.36 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 89 L 8.15 4.10 0.00 1.97 1.77 0.96 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 90 D 8.23 4.42 0.00 2.93 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 91 L 7.63 3.89 0.00 1.56 1.82 0.84 0.87 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 92 L 8.34 4.18 0.00 1.89 1.75 1.04 0.80 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 93 E 8.58 3.92 0.00 2.15 2.17 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 2.32 2.34 0.00 94 N 8.16 4.27 0.00 2.97 2.99 0.00 0.00 7.17 7.86 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 95 A 8.59 3.96 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 96 V 8.41 3.62 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 1.15 0.00 0.00 0.96 0.00 0.00 97 G 8.24 3.75 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 0.00 0.00 0.00 98 N 8.29 4.29 0.00 2.88 2.94 0.00 0.00 7.09 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.32 4.16 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 0.00 100 D 8.50 4.52 0.00 2.93 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 0.00 101 H 8.34 3.95 0.00 3.11 3.57 0.00 5.92 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.67 4.51 0.00 2.65 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.66 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 103 G 8.93 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 0.00 0.00 0.00 104 F 7.96 4.33 0.00 3.14 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 D 8.46 4.76 0.00 2.71 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 8.69 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 0.00 0.00 0.00 107 E 8.45 3.92 0.00 2.06 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 2.43 2.35 0.00 108 A 7.69 4.07 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 0.00 109 M 7.86 4.39 0.00 1.97 2.23 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.57 0.00 110 T 8.62 4.79 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 1.31 0.00 0.00 111 I 8.67 4.36 1.94 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 1.14 0.76 0.94 0.00 0.00 112 K 8.91 4.03 0.00 1.77 1.98 0.00 1.90 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.39 7.81 113 H 7.77 5.07 0.00 3.19 3.11 0.00 5.77 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.74 5.51 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 0.80 0.00 0.00 1.16 0.00 0.00 115 A 8.05 4.82 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 8.59 5.24 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 0.00 117 H 9.53 5.00 0.00 3.01 3.14 0.00 5.82 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 7.92 3.69 0.00 0.79 1.07 0.00 1.38 0.00 0.00 1.36 0.00 0.00 2.57 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.10 1.01 7.81 119 V 9.43 3.85 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 0.72 0.00 0.00 0.95 0.00 0.00 120 G 6.67 4.05 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 0.00 121 E 7.88 5.04 0.00 1.77 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 2.13 2.20 0.00 122 Q 9.22 4.36 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.00 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 123 Q 8.74 4.78 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.57 0.00 0.00 0.00 0.00 0.00 2.50 2.37 0.00 124 G 9.66 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 0.00 0.00 0.00 0.00 125 R 8.56 5.30 0.00 1.79 1.76 0.00 3.37 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 126 K 8.92 4.38 0.00 1.17 1.51 0.00 1.08 0.00 0.00 1.10 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.68 1.13 7.81 127 P 0.00 4.59 0.00 1.89 1.92 0.00 3.50 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.06 0.00 128 R 8.99 4.78 0.00 1.80 1.82 0.00 3.34 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 129 A 8.37 4.09 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 M 9.14 3.13 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 131 G 8.35 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 0.00 132 R 7.52 4.82 0.00 2.00 1.89 0.00 3.05 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 133 A 8.59 5.35 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 0.00 134 S 8.82 4.92 0.00 3.95 4.01 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 0.00 0.00 0.00 135 A 8.57 4.52 1.29 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 0.00 0.00 136 W 9.04 5.04 0.00 3.44 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 0.00 137 N 8.03 5.02 0.00 2.60 2.82 0.00 0.00 7.02 7.57 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 0.00 138 S 8.64 4.75 0.00 3.72 3.71 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 0.00 139 P 0.00 4.69 0.00 2.27 1.94 0.00 3.51 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 140 Q 9.24 4.82 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 141 V 9.08 4.82 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 1.11 0.00 0.00 1.13 0.00 0.00 142 D 8.84 5.53 0.00 2.77 2.46 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 0.00 0.00 0.00 0.00 143 V 8.11 5.03 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 0.48 0.00 0.00 0.73 0.00 0.00 144 E 9.02 5.09 0.00 2.14 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 145 L 9.17 5.33 0.00 1.76 1.53 1.02 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 146 I 9.15 5.00 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.03 0.84 0.00 0.00 147 L 9.19 5.23 0.00 1.39 1.45 0.88 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 0.00 148 E 8.94 4.97 0.00 1.92 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 0.00 2.19 2.42 0.00 149 E 8.70 4.32 0.00 2.01 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 2.70 2.68 0.00 150 P 0.00 4.39 0.00 2.19 2.07 0.00 3.85 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 * Residues marked with a * may have inaccurate shift predictions.