NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 S 4.2565 8.1885 115.4127 58.2873 65.3304 174.9355 *16 A 4.2838 7.8538 124.5081 52.3838 20.1299 178.6451 17 L 4.2105 7.7452 116.1232 57.2715 41.6417 179.1239 18 S 4.0650 7.5800 114.9686 62.1532 63.1054 176.0925 19 T 3.9490 7.5158 120.5858 66.3600 68.2234 176.1940 20 Q 3.9847 8.0658 118.8538 58.8266 28.5599 178.4978 21 L 3.9196 7.7044 119.9743 58.6338 42.3897 178.4537 22 I 3.6893 8.9158 120.1905 64.4863 36.9349 177.7939 23 E 4.0027 8.4010 118.6262 60.1347 29.7237 179.7092 24 S 3.6115 8.2849 112.7834 61.4763 62.1344 176.4949 25 V 3.8423 8.4521 121.3761 65.6952 31.5438 177.3683 26 D 4.1146 8.1211 118.0275 57.4505 40.7467 179.1317 27 K 3.9466 8.9702 120.6597 59.5808 32.3410 178.3430 28 Q 4.0399 7.8047 119.5053 59.5585 28.7995 179.0084 29 S 4.0782 8.7978 116.6088 62.0127 62.9299 176.2647 30 H 4.2392 8.4366 118.3976 57.9492 28.5612 176.6173 31 L 4.4324 7.3214 119.4589 55.6707 43.3306 178.0590 32 E 3.8929 8.0850 119.2793 59.8427 29.4873 177.9691 33 E 4.0169 8.9818 120.1512 58.2430 29.3320 178.7033 34 Q 3.7839 7.9792 118.6262 59.1370 29.5744 179.7863 35 L 3.9541 8.6169 121.8616 58.1127 41.9663 178.1210 36 N 4.2327 8.1559 116.4137 57.1264 38.9256 176.4203 37 K 4.0668 8.5716 120.5534 59.0679 31.6949 179.0329 38 S 3.9458 8.0271 114.1444 62.0346 61.5524 176.6650 39 L 3.8005 8.1917 122.2939 57.5906 40.7549 179.7799 40 K 3.9995 8.7226 118.7758 59.6661 31.8950 181.3522 41 T 4.2818 7.1271 113.1561 63.5727 68.8452 175.2440 42 I 4.4282 9.2499 114.8062 61.4177 40.6116 177.3822 43 A 4.0188 7.7403 123.4906 54.9169 18.1003 179.5372 44 S 4.0758 8.0425 112.4834 61.4950 63.3811 176.2927 45 Q 3.8774 8.1296 122.1881 58.4211 28.2466 179.4896 46 K 3.9359 7.9107 119.4496 59.0820 32.5632 178.0522 47 A 4.2808 8.2012 120.6359 55.9464 18.2227 178.7491 48 A 3.9636 8.8002 119.0706 55.6383 18.1743 179.2182 49 I 3.9353 8.0409 109.9503 62.7576 37.7971 176.9802 50 E 4.4502 8.3101 120.3670 57.5085 30.0308 176.7549 51 N 4.9666 8.5223 115.9228 53.5028 39.7938 175.9823 52 Y 4.1665 7.9812 124.2118 60.9098 38.8901 175.2680 53 N 4.6538 8.4489 118.7864 55.3330 38.8426 175.7871 54 Q 4.0247 8.1327 125.5410 59.5624 29.6745 178.2255 55 L 4.0855 8.1106 122.2030 56.8609 42.0084 178.7347 56 K 4.1524 8.1507 118.7955 59.5556 31.9450 178.4626 57 E 4.0629 8.2042 118.4106 59.6366 29.4515 178.7986 58 D 4.7678 8.0669 117.1684 56.4980 41.0595 177.7764 59 Y 4.3802 7.6935 120.0460 60.1054 39.3288 176.8638 60 N 4.1312 8.8443 117.8814 56.6057 38.7626 176.8887 61 T 4.0220 9.1753 109.1065 62.8908 67.3625 173.9512 62 L 4.5476 7.5884 121.6211 55.7683 44.0439 177.7202 63 K 3.9044 7.9888 118.1675 57.6793 31.8517 176.9631 64 R 4.3597 6.9976 115.0243 57.8781 31.6926 177.5956 65 E 4.0240 7.7248 118.4676 59.2759 30.0787 179.4734 66 L 3.9290 7.9017 120.4730 58.0759 42.3137 178.3619 67 S 4.9089 7.9022 113.9622 61.0950 62.0419 175.4207 68 D 4.3769 8.4590 121.4307 57.7681 40.6323 179.0607 69 R 3.8990 7.6577 117.8951 60.1833 30.1607 178.1043 70 D 4.3000 8.1347 117.1967 58.1212 40.8469 178.7341 71 D 4.3898 8.5173 118.4581 57.7421 40.9984 179.0477 72 E 3.8448 8.3065 119.4957 59.5241 29.4890 178.8381 73 V 3.5687 8.1056 116.9780 66.9392 31.6660 177.2245 74 K 4.0897 8.3107 118.9904 57.6384 31.6703 179.0565 75 R 4.0331 8.3047 116.3472 59.9224 29.4660 178.6876 76 L 3.9387 8.2753 119.6686 57.6472 41.6622 179.7410 77 R 3.8637 8.5123 117.9666 59.3569 29.9979 178.5100 78 E 3.9001 8.2652 117.7813 59.9102 29.4066 179.1944 79 D 4.3539 8.8633 118.8241 57.5015 40.7325 178.9131 80 I 3.6495 8.1278 118.6985 65.2541 37.4543 177.5405 81 A 3.6934 8.8100 119.6101 55.4386 18.0186 179.9612 82 K 4.1261 8.7349 114.6167 59.0492 32.6153 178.9352 83 E 3.9661 8.5143 119.2870 59.5054 29.3827 179.0400 84 N 4.3354 8.8069 117.4419 56.6011 38.8675 176.1669 85 E 3.8785 8.2370 120.4616 58.9563 29.7924 178.2483 86 L 3.9132 7.9248 118.6268 58.4620 41.8962 179.2267 87 R 3.8159 8.1538 117.8739 60.1042 29.7886 178.0623 88 T 3.7608 8.2252 114.1522 66.9053 68.4985 176.1029 89 K 4.0098 8.6479 119.8106 60.0461 32.0075 179.1796 90 A 4.0118 8.0077 120.3965 54.8111 18.4442 178.9647 91 E 3.8412 8.6957 117.7156 57.8369 29.1814 177.2931 92 E 4.7328 8.2032 118.3216 55.7658 30.5451 176.6361 93 E 4.0953 7.9327 119.8639 58.8121 29.7087 177.9997 94 A 4.1566 7.5689 120.3039 54.1828 18.7581 178.9103 95 D 4.1832 7.4763 114.6488 57.4484 41.3791 178.1111 96 K 3.8045 7.6632 118.9540 59.9726 32.1318 177.7552 97 L 3.8810 7.7602 120.1837 58.0848 41.8880 178.2897 98 N 4.2119 8.3649 115.8533 56.6061 38.6486 177.1627 99 K 3.8669 8.2665 120.7273 59.7193 32.1226 178.3673 100 E 3.9415 8.6346 119.7069 58.8656 29.4710 178.9532 101 V 3.6176 7.8381 118.7004 65.6422 31.5831 177.6475 102 E 3.9641 8.2446 118.4360 60.3093 29.3800 177.9945 103 D 4.3410 8.3557 117.7021 55.9451 40.9404 178.5535 104 L 3.6826 7.7755 119.5447 58.8665 43.0400 178.9146 105 T 3.5275 8.1739 115.1741 67.1100 68.5163 175.8890 106 A 4.1278 8.6356 122.7137 55.6019 18.5052 179.8431 107 S 4.2053 8.6412 114.0952 61.5387 63.1151 176.1032 108 L 3.7373 8.3136 122.7909 58.7325 41.3705 179.0406 109 F 4.4901 8.0976 117.1150 60.6955 38.9571 176.8720 110 D 4.5576 7.8948 116.1863 57.9063 40.7810 178.6548 111 E 3.9962 8.5512 118.0569 59.0906 29.6344 178.2345 112 A 4.1215 8.2582 120.7865 55.0918 18.8840 178.6347 113 N 4.3814 9.5029 115.0501 56.6136 38.8418 177.8363 114 N 4.3192 8.4297 116.4194 54.0389 38.8574 176.6803 *116 V 3.9031 7.8277 119.9342 62.2750 32.7877 176.2768 117 A 4.0364 7.4044 121.2227 54.3423 17.8272 179.6103 118 D 4.2859 8.4312 115.2100 56.8753 41.0071 179.2934 119 A 4.2522 8.1950 121.5783 54.5922 18.5586 179.5552 120 R 3.8953 8.0398 115.0239 59.3483 30.1717 179.3193 121 K 3.9767 8.3527 118.1319 59.6537 32.2618 179.1909 122 E 4.0119 8.4353 119.0191 59.4424 29.3408 179.5430 123 K 4.0150 9.7084 119.6495 59.6714 32.0656 178.2523 124 Y 4.0786 8.1963 118.7793 61.2064 38.8506 176.8849 125 A 3.9310 8.2408 121.6333 54.4821 18.1722 178.7099 126 I 3.1319 7.6089 115.2387 63.7425 38.1806 177.7942 127 E 3.8211 8.2012 119.6486 59.4112 29.5369 178.9460 128 I 3.7114 8.4019 120.6428 64.4047 37.1240 178.1242 129 L 4.0164 7.9345 119.1985 57.9003 41.0971 178.0636 130 N 4.6822 8.0045 114.8010 53.3140 39.3736 175.7753 131 K 4.3806 8.1211 120.9409 58.2373 34.8023 178.2449 132 R 4.1952 8.0156 115.8214 57.7789 30.4151 177.8558 133 L 4.2605 7.6688 115.8218 55.8298 44.0885 178.3413 134 T 4.0229 7.9883 110.4747 64.6281 67.3869 173.8801 135 E 4.2248 8.1493 120.3112 57.5207 29.7313 177.0345 136 Q 3.8461 7.9169 120.2586 59.6927 29.4750 178.9549 137 L 4.1343 8.5440 122.5660 57.2102 41.7033 178.2971 138 R 3.9017 7.9710 118.4461 59.6778 30.0797 178.0128 139 E 3.9444 8.3410 119.1077 59.4025 29.4777 179.0354 140 K 4.0525 7.7102 117.6465 58.9625 32.3320 178.4464 141 D 4.4626 8.0140 118.9532 57.7387 40.9482 178.2315 142 T 4.2498 7.5657 113.4377 63.9652 67.2590 175.6709 143 L 4.2264 7.5081 119.3284 57.0341 42.2954 178.0309 144 L 4.2388 7.9326 118.9160 56.9781 41.2997 178.7426 145 D 4.4048 7.9602 118.1841 57.5869 41.0600 179.6251 146 T 3.8911 7.9883 109.8245 65.1829 68.3900 176.1937 147 L 4.0526 7.8083 120.3016 57.4158 41.7148 179.1386 148 T 4.0033 8.2768 116.2652 66.3036 68.2676 176.5099 149 L 4.0353 8.6260 123.1950 58.0781 41.8336 178.6194 150 Q 4.0800 8.5882 117.4204 58.7196 28.7917 177.9083 151 L 4.3930 8.3707 120.8065 55.1452 41.2591 178.7068 152 K 4.1014 7.7162 119.3499 59.9493 32.3604 178.7840 153 N 4.4031 8.0627 116.2438 55.9611 38.5977 176.3504 154 L 4.3665 7.2513 117.3513 55.7737 42.3117 177.6510 155 K 4.2241 8.0726 117.7293 59.0217 32.6466 178.6510 156 K 4.2290 7.5383 117.3751 58.9366 32.7770 179.1889 157 V 3.8636 7.2713 119.4361 62.9772 30.2876 175.5718 *159 H 4.7084 7.8358 110.3649 55.8090 30.4466 176.2199 160 S 4.1082 8.3080 114.6479 61.1982 63.4365 174.3806 161 L 4.0194 7.6890 127.9596 54.2672 41.3025 176.2414 162 D 4.5326 8.5313 125.1657 54.5802 40.8657 176.7089 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 14 S 8.19 4.26 0.00 4.02 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 0.00 *16 A 7.85 4.28 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.75 4.21 0.00 1.77 1.68 0.92 0.88 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 18 S 7.58 4.07 0.00 4.22 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 19 T 7.52 3.95 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 1.30 0.00 0.00 20 Q 8.07 3.98 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 21 L 7.70 3.92 0.00 1.73 1.80 0.92 0.97 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 22 I 8.92 3.69 1.87 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 1.52 0.73 0.94 0.00 0.00 23 E 8.40 4.00 0.00 2.16 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 2.35 2.62 0.00 24 S 8.28 3.61 0.00 3.96 4.08 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 25 V 8.45 3.84 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 1.03 0.00 0.00 1.02 0.00 0.00 26 D 8.12 4.11 0.00 2.73 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 27 K 8.97 3.95 0.00 2.00 1.81 0.00 1.60 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.51 7.81 28 Q 7.80 4.04 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 29 S 8.80 4.08 0.00 3.92 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 30 H 8.44 4.24 0.00 3.36 3.33 0.00 5.56 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.32 4.43 0.00 2.02 1.67 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.08 3.89 0.00 2.05 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 2.31 2.32 0.00 33 E 8.98 4.02 0.00 2.13 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 2.31 2.47 0.00 34 Q 7.98 3.78 0.00 2.55 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 35 L 8.62 3.95 0.00 1.71 1.85 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.16 4.23 0.00 3.04 2.92 0.00 0.00 7.30 6.23 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 37 K 8.57 4.07 0.00 2.00 1.80 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.81 7.81 38 S 8.03 3.95 0.00 4.04 4.16 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 39 L 8.19 3.80 0.00 1.90 1.77 0.92 1.00 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 40 K 8.72 4.00 0.00 1.88 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.66 7.81 41 T 7.13 4.28 4.35 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 1.21 0.00 0.00 42 I 9.25 4.43 1.87 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 1.22 0.78 1.02 0.00 0.00 43 A 7.74 4.02 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 44 S 8.04 4.08 0.00 4.06 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 45 Q 8.13 3.88 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 46 K 7.91 3.94 0.00 1.99 2.02 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.45 7.81 47 A 8.20 4.28 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 48 A 8.80 3.96 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 49 I 8.04 3.94 1.88 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 1.76 0.70 1.00 0.00 0.00 50 E 8.31 4.45 0.00 2.16 2.06 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 2.29 2.55 0.00 51 N 8.52 4.97 0.00 2.65 2.82 0.00 0.00 6.95 5.75 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 52 Y 7.98 4.17 0.00 3.07 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.45 4.65 0.00 2.86 2.72 0.00 0.00 6.84 6.74 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 54 Q 8.13 4.02 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 55 L 8.11 4.09 0.00 1.99 1.56 0.88 0.22 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 56 K 8.15 4.15 0.00 2.02 1.97 0.00 1.62 0.00 0.00 1.63 0.00 0.00 3.10 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.54 1.68 7.81 57 E 8.20 4.06 0.00 2.24 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 2.44 2.60 0.00 58 D 8.07 4.77 0.00 2.79 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 59 Y 7.69 4.38 0.00 2.97 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 N 8.84 4.13 0.00 2.91 2.85 0.00 0.00 6.74 7.27 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 61 T 9.18 4.02 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 1.24 0.00 0.00 62 L 7.59 4.55 0.00 1.92 1.50 0.90 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.99 3.90 0.00 1.18 1.69 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.33 1.24 7.81 64 R 7.00 4.36 0.00 1.79 1.79 0.00 3.35 0.00 0.00 3.22 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.55 0.00 65 E 7.72 4.02 0.00 2.05 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 2.36 2.46 0.00 66 L 7.90 3.93 0.00 1.77 1.67 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 67 S 7.90 4.91 0.00 3.88 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 68 D 8.46 4.38 0.00 2.85 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 69 R 7.66 3.90 0.00 1.99 1.99 0.00 3.32 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.83 0.00 70 D 8.13 4.30 0.00 2.92 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.52 4.39 0.00 2.85 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 72 E 8.31 3.84 0.00 2.01 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 0.00 2.30 2.32 0.00 73 V 8.11 3.57 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 0.88 0.00 0.00 1.01 0.00 0.00 74 K 8.31 4.09 0.00 2.01 1.72 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.44 7.81 75 R 8.30 4.03 0.00 2.05 2.23 0.00 2.78 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.88 0.00 76 L 8.28 3.94 0.00 1.97 1.76 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 77 R 8.51 3.86 0.00 1.96 1.97 0.00 3.16 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 78 E 8.27 3.90 0.00 2.18 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 2.41 2.44 0.00 79 D 8.86 4.35 0.00 2.87 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 80 I 8.13 3.65 1.87 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 1.45 0.73 0.91 0.00 0.00 81 A 8.81 3.69 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 82 K 8.73 4.13 0.00 1.91 1.87 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.73 1.68 7.81 83 E 8.51 3.97 0.00 2.23 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 2.44 2.46 0.00 84 N 8.81 4.34 0.00 2.71 2.97 0.00 0.00 6.86 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 85 E 8.24 3.88 0.00 2.11 2.10 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 2.37 2.46 0.00 86 L 7.92 3.91 0.00 1.96 1.74 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 87 R 8.15 3.82 0.00 2.00 2.04 0.00 3.13 0.00 0.00 3.16 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 88 T 8.23 3.76 4.57 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 1.21 0.00 0.00 89 K 8.65 4.01 0.00 1.87 1.90 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.25 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.61 1.65 7.81 90 A 8.01 4.01 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 91 E 8.70 3.84 0.00 2.10 2.06 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 2.30 2.31 0.00 92 E 8.20 4.73 0.00 1.94 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 2.18 2.34 0.00 93 E 7.93 4.10 0.00 2.22 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 2.28 2.31 0.00 94 A 7.57 4.16 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 95 D 7.48 4.18 0.00 2.79 2.67 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 96 K 7.66 3.80 0.00 1.98 1.80 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.46 7.81 97 L 7.76 3.88 0.00 1.83 1.78 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.36 4.21 0.00 2.94 2.89 0.00 0.00 6.79 7.75 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 99 K 8.27 3.87 0.00 1.95 2.01 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.46 7.81 100 E 8.63 3.94 0.00 2.23 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 0.00 2.29 2.30 0.00 101 V 7.84 3.62 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 0.96 0.00 0.00 0.92 0.00 0.00 102 E 8.24 3.96 0.00 2.22 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 2.34 2.33 0.00 103 D 8.36 4.34 0.00 2.65 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.78 3.68 0.00 1.73 1.57 0.85 1.29 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 0.00 105 T 8.17 3.53 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 106 A 8.64 4.13 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 0.00 107 S 8.64 4.21 0.00 3.92 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.31 3.74 0.00 1.65 1.45 0.83 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 109 F 8.10 4.49 0.00 3.16 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 0.00 110 D 7.89 4.56 0.00 2.91 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 0.00 111 E 8.55 4.00 0.00 1.97 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 2.33 2.34 0.00 112 A 8.26 4.12 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 N 9.50 4.38 0.00 3.11 2.94 0.00 0.00 6.79 6.80 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 0.00 114 N 8.43 4.32 0.00 2.74 2.93 0.00 0.00 6.84 7.26 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 *116 V 7.83 3.90 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 0.93 0.00 0.00 0.95 0.00 0.00 117 A 7.40 4.04 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 0.00 118 D 8.43 4.29 0.00 2.83 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 0.00 119 A 8.19 4.25 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 0.00 120 R 8.04 3.90 0.00 1.95 2.04 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.07 0.00 121 K 8.35 3.98 0.00 1.95 1.86 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.45 7.81 122 E 8.44 4.01 0.00 2.16 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 2.35 2.59 0.00 123 K 9.71 4.01 0.00 1.86 2.09 0.00 1.67 0.00 0.00 1.62 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.47 7.81 124 Y 8.20 4.08 0.00 3.11 3.15 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 0.00 125 A 8.24 3.93 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 0.00 126 I 7.61 3.13 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 1.38 1.30 0.98 0.00 0.00 127 E 8.20 3.82 0.00 2.02 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 2.18 2.24 0.00 128 I 8.40 3.71 1.96 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.14 0.85 0.00 0.00 129 L 7.93 4.02 0.00 1.82 1.72 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 130 N 8.00 4.68 0.00 2.73 2.80 0.00 0.00 6.70 7.14 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 0.00 131 K 8.12 4.38 0.00 1.74 1.69 0.00 1.57 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.29 1.35 7.81 132 R 8.02 4.20 0.00 1.89 1.94 0.00 3.10 0.00 0.00 3.32 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 133 L 7.67 4.26 0.00 1.84 1.62 0.94 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 134 T 7.99 4.02 4.40 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 1.29 0.00 0.00 135 E 8.15 4.22 0.00 2.14 1.81 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 0.00 2.23 2.28 0.00 136 Q 7.92 3.85 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 137 L 8.54 4.13 0.00 2.01 1.52 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 138 R 7.97 3.90 0.00 1.90 1.93 0.00 3.23 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 139 E 8.34 3.94 0.00 2.12 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 2.30 2.50 0.00 140 K 7.71 4.05 0.00 1.87 1.86 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.55 7.81 141 D 8.01 4.46 0.00 2.72 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 0.00 142 T 7.57 4.25 4.24 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 1.31 0.00 0.00 143 L 7.51 4.23 0.00 1.71 1.81 0.97 0.92 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 0.00 144 L 7.93 4.24 0.00 1.92 1.59 0.92 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 145 D 7.96 4.40 0.00 2.82 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 0.00 146 T 7.99 3.89 4.24 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 1.28 0.00 0.00 147 L 7.81 4.05 0.00 1.73 1.77 0.92 0.85 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 0.00 148 T 8.28 4.00 4.35 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 1.21 0.00 0.00 149 L 8.63 4.04 0.00 1.66 1.92 0.92 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 150 Q 8.59 4.08 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.45 0.00 0.00 0.00 0.00 0.00 2.39 2.69 0.00 151 L 8.37 4.39 0.00 1.85 1.54 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 152 K 7.72 4.10 0.00 1.82 1.88 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.54 7.81 153 N 8.06 4.40 0.00 2.91 2.85 0.00 0.00 6.79 6.74 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 0.00 154 L 7.25 4.37 0.00 1.69 1.74 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 155 K 8.07 4.22 0.00 1.92 1.83 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.61 7.81 156 K 7.54 4.23 0.00 1.93 1.88 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.62 1.60 7.81 157 V 7.27 3.86 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 0.75 0.00 0.00 0.98 0.00 0.00 *159 H 7.84 4.71 0.00 3.33 3.32 0.00 5.75 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 0.00 160 S 8.31 4.11 0.00 3.98 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 0.00 161 L 7.69 4.02 0.00 1.61 1.67 0.92 1.20 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 0.00 162 D 8.53 4.53 0.00 2.71 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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.