NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.8768 8.2833 118.3436 52.9642 39.2840 172.5915 4 Y 5.2936 8.8155 119.5094 54.7240 40.2201 173.5193 5 R 4.8083 9.9043 120.3846 54.8446 34.0720 173.6702 6 K 4.1263 7.8173 119.1701 55.1568 32.9708 176.9590 7 A 4.1754 8.6884 127.1365 52.9462 19.2918 175.4897 8 D 4.3825 9.7738 119.4090 54.4391 40.6798 179.3503 *10 K 4.1022 9.1679 130.2572 57.0524 34.2591 175.3244 11 D 4.6000 8.0673 117.1781 54.5916 40.8005 178.1180 12 I 3.4394 7.5454 121.9878 64.4437 37.1696 178.1326 13 S 4.0670 7.9448 114.3640 61.2276 62.7021 176.4850 14 L 3.8919 7.6819 122.2334 57.6030 41.4345 179.0778 15 L 3.7489 7.5902 118.9461 57.5214 41.3870 179.7592 16 V 3.6930 7.7016 118.3484 66.2172 31.5118 178.2897 17 S 4.0801 7.8911 114.7606 61.7384 62.5931 176.8597 18 I 3.5176 8.0164 122.8778 64.0732 36.7762 178.4622 19 R 3.8846 8.1995 119.7829 59.3596 29.9208 178.6852 20 K 3.9212 7.9531 118.2059 59.4785 32.0233 179.2011 21 R 3.7561 7.9443 118.9058 59.3163 29.9402 178.2926 22 Q 3.9656 8.0402 119.5625 59.3119 29.2423 178.3315 23 L 4.0412 7.9865 119.9480 57.8276 41.6164 179.6491 24 I 3.7325 7.9640 119.9267 64.3505 36.8212 177.7581 25 D 4.4142 8.0909 117.9708 57.5644 41.0961 177.8425 26 E 4.2345 8.0136 116.9369 57.1808 29.6335 177.6546 27 G 4.0710 7.9198 107.2128 45.0074 0.0000 174.0916 28 I 3.8745 7.2925 119.9910 60.8891 37.6674 175.7297 29 E 4.3050 8.5138 123.9358 54.8633 29.7425 176.0774 30 P 4.6295 0.0000 0.0000 62.0329 29.8845 176.1097 31 N 4.5346 7.8627 118.4301 55.7859 39.5051 175.4922 32 I 4.6163 7.2029 109.2274 58.8647 40.8492 173.7936 33 D 4.6377 8.5725 120.9965 53.4240 41.3272 175.7915 34 I 4.7458 7.9902 119.1412 59.9488 38.3637 177.2061 35 D 4.3525 8.8833 124.2609 57.9855 40.4892 178.4306 36 K 3.9266 8.0103 119.4685 59.7290 31.8081 178.5654 37 E 4.0026 8.1179 118.2882 59.2100 29.4474 179.1300 38 L 4.0397 8.1940 119.2141 58.2627 41.7057 179.7200 39 T 4.0648 8.1994 115.7017 66.6799 68.3220 176.7522 40 R 3.8986 8.3206 120.7739 59.4077 30.1206 177.8174 41 Y 3.9688 8.2434 119.5043 60.7805 38.6981 178.3047 42 F 4.0778 8.3471 118.5053 60.5410 39.1142 177.2037 43 N 4.3169 8.4355 116.2579 56.5959 38.5178 177.2238 44 N 4.2741 8.2067 117.4617 56.4443 38.6976 177.8218 45 K 3.9190 7.8043 119.7454 59.0320 32.0358 179.6272 46 L 3.9712 8.1319 119.4543 57.7054 41.3585 179.2761 47 A 4.0280 7.6558 119.1446 54.7493 18.4017 178.4645 48 N 4.6119 7.8355 111.6175 52.2757 38.9417 174.7435 49 N 4.2546 7.7049 117.5693 54.7420 38.2073 174.2684 50 L 4.7843 7.8733 114.5113 54.5691 42.8442 176.0192 51 L 5.0855 7.7142 120.6654 53.1961 45.4178 175.3137 52 V 4.4119 8.8503 125.6636 61.0217 34.6159 173.5459 53 E 5.0842 8.7124 128.5163 54.2833 32.2644 174.6177 54 W 5.0567 9.4845 128.3433 56.1243 31.0602 175.6673 55 I 5.2011 9.3444 116.3186 59.1307 40.9343 173.8021 56 A 4.7606 8.9146 126.1194 50.1895 21.0577 175.4021 57 E 5.1077 9.0136 122.1556 54.5274 33.3317 175.4643 58 E 4.5397 8.7672 122.2520 55.9407 32.8583 175.0545 59 N 4.2987 9.3817 121.5604 55.5932 36.5510 173.5972 60 N 4.1649 8.0391 109.3582 54.7498 36.7648 174.4742 61 Q 4.6523 8.0842 116.0109 53.8091 31.7322 175.7240 62 I 4.3342 8.2533 123.1817 61.5486 37.8734 175.8205 63 I 4.2623 9.0468 126.8657 63.2938 38.5783 175.7695 64 A 5.3233 7.7091 121.2503 50.8300 22.6814 175.1237 65 T 5.3450 8.7643 109.2162 60.3268 72.6630 173.2804 66 A 4.7710 8.7578 119.6385 52.0743 23.2434 175.4481 67 A 5.3751 9.2145 124.1165 50.0978 23.4054 174.6064 68 I 4.8784 8.7604 118.5531 59.1745 41.4877 173.8918 69 A 4.8392 9.1203 130.9150 50.1608 21.8248 175.2107 70 F 5.4435 8.3637 120.4300 56.1879 40.3246 175.6039 71 I 4.6176 9.0374 124.7016 59.4607 40.9731 174.2148 72 D 5.1247 8.3562 124.6222 52.7785 42.6064 175.7051 73 F 4.9903 8.7881 121.3986 54.4856 43.2325 172.9262 74 P 4.6496 0.0000 0.0000 61.9945 31.6268 175.0981 75 P 4.6127 0.0000 0.0000 63.7442 32.2554 175.0697 76 T 4.4828 8.1067 115.5865 60.4669 71.1291 174.1011 77 Y 4.1411 8.6238 120.9859 60.5547 37.9133 177.4367 78 T 4.4987 7.7913 107.3624 61.5217 69.7516 175.2317 79 N 5.0137 7.8950 120.3932 52.7462 40.6214 174.5280 80 K 4.1257 8.3297 121.8889 59.1068 33.2077 179.2173 81 T 4.0483 7.9463 108.3416 61.8617 69.5123 176.0252 82 G 4.5274 8.1641 109.5446 46.2597 0.0000 173.5699 83 R 4.8623 7.5924 118.2349 56.2340 30.9588 176.1936 84 K 4.9811 9.4847 120.5819 54.9235 37.3010 175.3235 85 G 4.4198 9.0491 109.9458 45.2233 0.0000 172.0025 86 Y 5.2243 9.4824 127.3264 55.8500 40.7946 174.4994 87 I 4.4417 7.9593 128.6050 61.1188 38.5591 175.1731 88 T 4.0373 8.8716 119.3382 61.7356 72.0802 169.4960 89 N 4.8231 8.5568 122.6357 52.2810 37.5945 172.8591 *91 Y 4.4290 8.0416 122.8380 57.6872 40.4105 173.6082 92 T 4.8573 7.5219 121.9133 61.0520 71.8342 173.3760 93 E 3.7986 9.0198 127.0443 56.4925 30.2940 175.8734 94 P 4.1491 0.0000 0.0000 66.0214 31.5270 178.4053 95 T 4.0538 7.8602 105.2845 63.4827 68.8216 174.7589 96 S 4.5730 7.8604 117.5002 58.3517 63.5333 174.5900 97 R 3.9659 7.4829 120.1004 57.1094 30.2782 176.7165 98 G 3.8741 8.6374 106.4799 46.5125 0.0000 174.0220 99 N 4.6748 8.2971 114.2047 52.6162 39.4578 175.6161 100 G 3.9625 8.1343 107.0415 45.6181 0.0000 175.6893 101 I 3.6777 7.7449 120.3655 64.2762 37.3599 177.3456 102 A 4.1580 8.0486 121.2666 55.5845 18.5620 178.8209 103 T 4.0146 8.1149 112.2924 66.8420 68.7305 177.7892 104 G 3.7916 8.1573 110.8750 45.4246 0.0000 175.5377 *106 L 4.1271 8.0909 121.4113 54.4625 43.9061 179.2309 107 D 4.5607 7.7715 119.7616 57.0251 40.7836 179.1805 108 R 3.7091 7.5683 118.2620 59.0152 29.9280 179.1910 109 L 4.1393 7.7334 118.4748 57.7055 41.7681 179.3089 110 V 3.6910 8.1443 118.5615 66.1313 31.4282 177.6112 111 N 4.3839 8.2465 116.7231 56.7002 38.2970 176.6163 112 E 4.1596 8.3183 119.6742 59.3828 29.5070 179.2882 113 A 4.0744 8.2016 120.5920 55.3140 18.5593 179.8523 114 K 3.9585 8.2024 117.0243 59.6787 31.9380 179.2981 115 E 4.1907 8.2751 117.2187 58.1060 29.3163 177.8775 116 R 4.3984 6.9386 116.4449 55.1915 30.5811 175.4870 117 N 4.2392 8.0089 113.5264 54.7881 36.4797 174.3177 118 I 4.5988 8.0021 117.7844 59.9406 39.6223 175.7184 119 H 4.9624 8.6995 117.4059 54.6646 29.8403 172.8316 120 K 4.6760 7.9069 120.1924 54.9005 34.8602 174.9769 121 I 5.3559 8.5106 125.2535 59.7513 40.4181 174.3601 122 C 5.1965 9.1805 119.5563 57.1893 33.6766 172.2240 123 L 4.0807 7.9753 117.8428 55.2415 42.6389 173.9980 124 V 4.0177 7.8761 119.0893 60.8266 32.6087 174.7492 125 A 4.3735 8.3845 131.0126 51.5205 19.4643 177.7219 126 S 4.5642 8.4629 118.4685 57.1382 65.7802 175.4796 127 K 3.9067 8.3990 120.6802 59.7294 31.8033 179.1624 128 L 4.2444 7.8151 117.2891 57.0598 42.0807 179.0935 129 G 3.3110 7.8598 106.0179 47.0319 0.0000 175.7036 130 R 3.9122 7.7071 120.9898 59.1992 30.0504 176.9405 131 P 4.4084 0.0000 0.0000 65.2364 31.3708 178.8659 132 V 3.4604 7.3232 116.7517 66.2782 31.4908 177.6334 133 Y 4.4680 7.2554 116.3996 60.8846 37.6721 178.4561 134 K 4.0999 8.7076 119.9409 59.5233 32.0111 179.1851 135 K 3.9733 8.1213 118.6383 59.7673 32.0365 177.7572 136 Y 4.2739 8.1757 119.1875 58.4919 38.5930 176.0951 137 G 4.0902 7.7709 105.2683 45.2106 0.0000 174.2995 138 F 4.2262 8.7337 119.4414 57.4804 39.5067 174.6255 139 Q 4.7763 8.4322 122.6068 53.6483 31.0417 175.2234 140 D 4.5550 8.6907 120.9898 55.5985 41.5733 177.6820 141 T 4.7056 8.1513 117.8110 61.5679 69.2318 174.2494 142 D 4.6159 8.3787 123.2452 56.1941 41.3668 177.6623 143 E 4.1204 8.0720 117.8725 57.9693 29.9302 176.8886 144 W 4.3067 7.9338 119.6428 56.0610 29.5933 175.6836 145 L 5.0528 8.4733 122.3543 52.9363 44.9154 175.7016 146 E 4.7915 8.6234 119.3870 54.4653 33.1930 174.8557 147 L 4.5936 8.5490 123.9254 53.1276 44.2518 174.9262 148 N 4.7942 8.5832 124.5085 51.8367 39.2667 175.2963 149 L 4.1755 8.4853 126.3890 57.0666 41.9416 178.3212 150 L 4.2543 8.3173 117.7129 56.0287 41.9780 177.3577 151 E 4.4060 8.3151 117.6652 56.8655 30.8893 176.1210 152 H 4.9812 7.6116 114.3281 54.3422 31.8725 173.1250 153 H 4.1974 8.7164 119.8092 56.6399 29.5018 173.7705 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 3 N 8.28 4.88 0.00 2.85 3.05 0.00 0.00 5.98 6.68 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 4 Y 8.82 5.29 0.00 3.05 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 5 R 9.90 4.81 0.00 1.81 2.03 0.00 2.74 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 6 K 7.82 4.13 0.00 1.17 1.34 0.00 1.45 0.00 0.00 1.60 0.00 0.00 2.24 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.30 0.21 7.81 7 A 8.69 4.18 1.20 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 8 D 9.77 4.38 0.00 2.59 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *10 K 9.17 4.10 0.00 1.71 1.84 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.45 7.81 11 D 8.07 4.60 0.00 2.75 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 7.55 3.44 1.83 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 1.64 0.66 0.92 0.00 0.00 13 S 7.94 4.07 0.00 4.01 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 14 L 7.68 3.89 0.00 1.76 1.67 0.87 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.59 3.75 0.00 1.15 0.23 0.77 0.54 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 16 V 7.70 3.69 2.20 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 1.08 0.00 0.00 1.08 0.00 0.00 17 S 7.89 4.08 0.00 4.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.02 3.52 1.79 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 1.31 0.83 0.76 0.00 0.00 19 R 8.20 3.88 0.00 2.11 2.19 0.00 3.40 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 20 K 7.95 3.92 0.00 1.97 1.82 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.64 7.81 21 R 7.94 3.76 0.00 1.84 1.66 0.00 3.01 0.00 0.00 2.90 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.53 0.00 22 Q 8.04 3.97 0.00 2.07 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.61 2.65 0.00 23 L 7.99 4.04 0.00 1.86 1.69 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.96 3.73 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 1.40 0.77 0.91 0.00 0.00 25 D 8.09 4.41 0.00 3.04 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 26 E 8.01 4.23 0.00 2.20 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 2.37 2.58 0.00 27 G 7.92 4.07 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 0.00 0.00 0.00 28 I 7.29 3.87 1.98 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 1.29 0.58 0.90 0.00 0.00 29 E 8.51 4.31 0.00 1.95 1.91 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 0.00 2.28 2.29 0.00 30 P 0.00 4.63 0.00 2.17 2.08 0.00 3.76 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 31 N 7.86 4.53 0.00 2.84 2.91 0.00 0.00 6.98 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 32 I 7.20 4.62 1.87 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 1.29 0.64 0.90 0.00 0.00 33 D 8.57 4.64 0.00 2.65 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 34 I 7.99 4.75 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 1.42 1.18 0.90 0.00 0.00 35 D 8.88 4.35 0.00 2.77 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 36 K 8.01 3.93 0.00 1.83 1.81 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.55 7.81 37 E 8.12 4.00 0.00 2.09 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 2.39 2.46 0.00 38 L 8.19 4.04 0.00 1.93 1.94 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.20 4.06 4.43 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 1.26 0.00 0.00 40 R 8.32 3.90 0.00 1.98 2.11 0.00 3.11 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 41 Y 8.24 3.97 0.00 3.05 2.91 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 0.00 0.00 0.00 0.00 42 F 8.35 4.08 0.00 3.17 3.01 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 43 N 8.44 4.32 0.00 2.98 2.89 0.00 0.00 7.09 6.88 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 44 N 8.21 4.27 0.00 2.73 2.77 0.00 0.00 7.13 6.47 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 45 K 7.80 3.92 0.00 1.30 1.56 0.00 1.52 0.00 0.00 1.46 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.75 0.58 7.81 46 L 8.13 3.97 0.00 1.78 1.71 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.66 4.03 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 48 N 7.84 4.61 0.00 2.79 2.85 0.00 0.00 6.98 7.58 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 49 N 7.70 4.25 0.00 2.86 2.89 0.00 0.00 7.10 7.89 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 50 L 7.87 4.78 0.00 1.65 1.71 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.71 5.09 0.00 1.43 1.41 1.04 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.85 4.41 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 0.98 0.00 0.00 1.15 0.00 0.00 53 E 8.71 5.08 0.00 2.19 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 2.30 2.41 0.00 54 W 9.48 5.06 0.00 3.40 3.24 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 55 I 9.34 5.20 1.90 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 1.40 0.86 0.93 0.00 0.00 56 A 8.91 4.76 0.78 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 0.00 0.00 57 E 9.01 5.11 0.00 1.89 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 2.19 2.18 0.00 58 E 8.77 4.54 0.00 1.89 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 2.18 2.25 0.00 59 N 9.38 4.30 0.00 2.85 2.84 0.00 0.00 7.29 8.00 0.00 0.00 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 N 8.04 4.16 0.00 2.75 2.81 0.00 0.00 6.96 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 61 Q 8.08 4.65 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.85 7.00 0.00 0.00 0.00 0.00 0.00 2.25 2.42 0.00 62 I 8.25 4.33 1.87 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 1.40 0.44 1.02 0.00 0.00 63 I 9.05 4.26 1.90 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 1.26 0.84 0.89 0.00 0.00 64 A 7.71 5.32 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 65 T 8.76 5.35 4.49 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 66 A 8.76 4.77 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 67 A 9.21 5.38 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 68 I 8.76 4.88 1.87 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.77 0.87 0.00 0.00 69 A 9.12 4.84 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 70 F 8.36 5.44 0.00 3.04 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 71 I 9.04 4.62 1.95 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.06 0.35 0.00 0.00 72 D 8.36 5.12 0.00 2.43 2.54 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 0.00 0.00 0.00 0.00 73 F 8.79 4.99 0.00 3.14 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 P 0.00 4.65 0.00 1.95 1.99 0.00 3.86 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 75 P 0.00 4.61 0.00 1.85 2.16 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.25 0.00 76 T 8.11 4.48 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 1.22 0.00 0.00 77 Y 8.62 4.14 0.00 3.07 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 78 T 7.79 4.50 4.29 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 1.27 0.00 0.00 79 N 7.89 5.01 0.00 2.77 2.69 0.00 0.00 6.91 6.11 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 80 K 8.33 4.13 0.00 1.90 1.95 0.00 1.63 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.45 7.81 81 T 7.95 4.05 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 1.23 0.00 0.00 82 G 8.16 4.53 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 0.00 0.00 0.00 83 R 7.59 4.86 0.00 1.83 1.98 0.00 3.12 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 84 K 9.48 4.98 0.00 2.10 1.87 0.00 1.36 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.57 7.81 85 G 9.05 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.48 5.22 0.00 3.02 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 87 I 7.96 4.44 1.49 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 1.04 0.63 0.60 0.00 0.00 88 T 8.87 4.04 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 1.27 0.00 0.00 89 N 8.56 4.82 0.00 3.04 2.94 0.00 0.00 7.21 7.48 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 *91 Y 8.04 4.43 0.00 3.15 2.92 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 0.00 0.00 0.00 0.00 92 T 7.52 4.86 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 1.11 0.00 0.00 93 E 9.02 3.80 0.00 2.20 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 2.33 2.37 0.00 94 P 0.00 4.15 0.00 2.20 2.07 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.07 0.00 95 T 7.86 4.05 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 1.21 0.00 0.00 96 S 7.86 4.57 0.00 3.96 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 97 R 7.48 3.97 0.00 1.87 1.79 0.00 3.15 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 98 G 8.64 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 0.00 0.00 0.00 99 N 8.30 4.67 0.00 2.82 2.84 0.00 0.00 7.25 7.65 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 0.00 100 G 8.13 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 0.00 0.00 0.00 101 I 7.74 3.68 1.88 0.00 0.00 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 1.43 0.60 1.00 0.00 0.00 102 A 8.05 4.16 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 0.00 103 T 8.11 4.01 4.41 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 1.39 0.00 0.00 104 G 8.16 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 0.00 0.00 0.00 *106 L 8.09 4.13 0.00 1.40 0.90 0.62 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 107 D 7.77 4.56 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 0.00 108 R 7.57 3.71 0.00 1.23 0.90 0.00 2.29 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.34 0.00 109 L 7.73 4.14 0.00 1.83 1.77 0.97 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 110 V 8.14 3.69 2.39 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 1.06 0.00 0.00 1.15 0.00 0.00 111 N 8.25 4.38 0.00 2.91 3.00 0.00 0.00 7.21 7.67 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 0.00 112 E 8.32 4.16 0.00 2.51 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 2.91 2.87 0.00 113 A 8.20 4.07 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 0.00 114 K 8.20 3.96 0.00 2.01 1.91 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.72 7.81 115 E 8.28 4.19 0.00 2.13 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 2.51 2.56 0.00 116 R 6.94 4.40 0.00 1.52 1.63 0.00 2.21 0.00 0.00 2.66 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.34 0.00 117 N 8.01 4.24 0.00 2.87 2.91 0.00 0.00 6.69 7.07 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 0.00 118 I 8.00 4.60 2.12 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.78 1.06 0.00 0.00 119 H 8.70 4.96 0.00 3.19 3.37 0.00 5.66 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 K 7.91 4.68 0.00 1.66 1.74 0.00 1.64 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.27 1.32 7.81 121 I 8.51 5.36 1.92 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 1.43 0.95 1.14 0.00 0.00 122 C 9.18 5.20 0.00 2.95 3.09 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 0.00 123 L 7.98 4.08 0.00 1.04 1.11 0.36 -1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 124 V 7.88 4.02 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 0.79 0.00 0.00 0.88 0.00 0.00 125 A 8.38 4.37 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 0.00 126 S 8.46 4.56 0.00 4.07 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 0.00 127 K 8.40 3.91 0.00 1.73 1.90 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.53 7.81 128 L 7.82 4.24 0.00 1.55 1.63 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 129 G 7.86 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 R 7.71 3.91 0.00 2.09 1.91 0.00 3.12 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 131 P 0.00 4.41 0.00 2.12 2.04 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 132 V 7.32 3.46 1.49 0.00 0.00 0.00 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 0.70 0.00 0.00 133 Y 7.26 4.47 0.00 2.94 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 0.00 134 K 8.71 4.10 0.00 1.94 1.92 0.00 1.77 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.70 1.64 7.81 135 K 8.12 3.97 0.00 1.86 2.11 0.00 1.81 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.48 7.81 136 Y 8.18 4.27 0.00 3.49 3.45 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 0.00 0.00 0.00 0.00 137 G 7.77 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 0.00 138 F 8.73 4.23 0.00 3.26 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Q 8.43 4.78 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.30 0.00 140 D 8.69 4.56 0.00 2.71 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 0.00 141 T 8.15 4.71 4.49 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 142 D 8.38 4.62 0.00 2.70 2.76 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 0.00 143 E 8.07 4.12 0.00 1.88 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 144 W 7.93 4.31 0.00 3.26 3.18 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 0.00 145 L 8.47 5.05 0.00 1.61 1.56 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.62 4.79 0.00 1.95 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 2.37 2.38 0.00 147 L 8.55 4.59 0.00 1.57 1.56 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 148 N 8.58 4.79 0.00 2.78 2.72 0.00 0.00 7.22 6.66 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 0.00 149 L 8.49 4.18 0.00 1.71 1.78 0.95 1.10 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 0.00 150 L 8.32 4.25 0.00 1.63 1.71 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 151 E 8.32 4.41 0.00 2.02 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 2.24 2.38 0.00 152 H 7.61 4.98 0.00 3.11 3.16 0.00 5.74 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 H 8.72 4.20 0.00 3.10 3.14 0.00 5.73 0.00 0.00 0.00 0.00 6.91 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.