NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.1253 8.1127 120.8604 56.9889 30.6516 174.5541 3 V 3.3090 8.7646 122.6605 61.4769 30.6192 171.7074 4 K 4.0198 9.1597 120.6931 61.1578 33.2074 176.3667 5 M 3.8312 7.2559 117.6107 53.5085 33.3700 174.1476 6 H 5.1334 8.0509 115.1188 55.7212 36.6329 175.7452 7 V 4.4115 7.5978 117.8649 61.9259 31.5618 178.8197 8 K 4.2344 8.9987 119.0217 56.7760 32.2933 175.2513 9 K 4.1623 7.9212 118.4676 56.9982 34.5754 177.1404 10 G 4.1254 8.5732 101.1446 43.7490 0.0000 171.5920 11 D 4.4609 7.3410 117.8480 52.7589 42.2808 176.7982 12 T 4.3737 8.3147 116.5046 63.7623 70.6434 174.7108 13 V 4.5514 7.8923 125.1815 60.9447 34.8561 177.2293 14 L 4.9109 8.0662 121.8753 54.7777 44.3464 171.1088 15 V 4.8330 8.0084 121.9409 61.4285 33.9955 175.6076 16 A 4.8137 8.3574 123.3846 51.7927 22.5462 177.1015 17 S 4.3528 8.3014 108.4596 60.0093 61.2075 174.9424 18 G 3.9794 8.5081 102.7408 46.4947 0.0000 173.3178 19 K 4.0002 7.9421 121.9717 56.8522 33.6826 176.8105 20 Y 4.7675 7.4121 116.4102 57.0209 38.5366 175.1476 21 K 4.3852 7.8829 113.8496 56.1719 33.6415 176.5272 22 G 4.8647 7.4473 105.9599 44.8204 0.0000 173.6165 23 R 4.6876 6.9425 117.6050 54.7904 35.6274 176.1142 24 V 4.4667 8.6161 123.2310 61.4328 32.7499 175.0111 25 G 4.0401 8.3912 115.3291 44.4033 0.0000 172.6767 26 K 5.1142 8.1706 121.5273 55.0687 33.2472 176.2605 27 V 3.7458 8.1305 117.1828 63.4680 31.9581 176.8587 28 K 4.3965 7.7888 118.3487 55.5288 33.6241 176.4499 29 E 3.6919 8.1875 116.4600 56.7274 26.5949 174.8173 30 V 3.6332 7.3482 117.7749 63.2021 32.0947 175.0517 31 L 4.1828 7.8532 125.0772 55.1907 42.3942 175.6900 32 P 4.6694 0.0000 0.0000 62.3967 31.2831 176.8689 33 K 3.7657 7.6206 116.9627 60.9903 32.2110 177.7444 34 K 4.0196 7.8606 119.4424 57.3101 32.7855 176.0972 35 Y 3.3042 7.7089 119.6336 58.2848 37.0373 167.8311 36 A 5.6542 7.1027 123.0382 50.3232 23.4292 174.5739 37 V 4.5490 8.3354 111.1132 60.9387 34.1306 177.1534 38 I 4.7055 10.0543 135.0000 61.8672 37.3951 174.7775 39 V 3.1229 7.2013 119.9358 63.5953 31.8140 174.7179 40 E 5.4604 8.0337 112.3959 55.4504 33.8132 175.5345 41 G 3.9544 7.7864 109.5783 44.6006 0.0000 171.9181 42 V 2.2850 7.8352 119.7565 62.2138 31.1271 172.6978 43 N 4.6797 8.0341 120.5970 52.7861 39.3017 173.6293 44 I 4.7135 7.8668 116.4940 59.7294 41.7705 175.3736 45 V 3.9221 8.3740 125.2942 61.9008 31.6707 176.9208 46 K 4.1464 7.7302 129.2661 56.7951 32.0103 177.5179 47 K 3.9342 7.9400 120.5842 56.6793 33.6941 174.6396 48 A 4.7028 7.5540 125.3270 50.5088 22.2335 175.7039 49 V 4.1704 8.3337 117.0841 62.0568 32.3921 172.8640 50 R 3.9096 8.1319 122.4393 56.2434 28.7951 175.1187 51 V 3.1264 7.9457 122.2529 66.2400 32.1439 176.4869 52 S 4.7068 7.4644 110.8974 57.8652 63.5905 173.3393 53 P 4.1889 0.0000 0.0000 63.8476 29.5974 176.0349 54 K 3.9297 8.1832 120.9729 57.2025 33.2122 176.4909 55 Y 3.6437 8.8018 116.2507 58.8294 36.9323 171.6883 56 P 4.3119 0.0000 0.0000 62.5511 34.5992 176.4107 57 Q 3.7569 7.6899 125.8898 54.2311 30.4795 175.5910 58 G 3.7249 8.6444 107.6754 42.9363 0.0000 175.5363 59 G 3.8922 7.8644 110.1803 43.9022 0.0000 174.2126 60 F 4.6308 8.5532 119.9959 56.7419 40.7022 173.0518 61 I 4.5761 8.1311 124.5579 62.2208 45.8007 176.8252 62 E 3.6966 8.0428 118.0237 55.3361 27.0263 172.8912 63 K 4.6339 7.9101 118.9426 54.7623 35.8918 177.4103 64 E 4.5715 8.3747 121.5275 55.1664 28.6352 177.5778 65 A 4.6213 8.3078 128.0916 51.9922 21.5492 174.5450 66 P 4.4290 0.0000 0.0000 64.7647 32.0869 173.8214 67 L 4.3279 7.7221 118.9852 56.1566 46.5113 172.1645 68 H 4.9938 8.2868 118.4218 55.0460 30.7640 176.6876 69 A 4.0748 8.7267 128.2384 54.0995 18.3787 177.7614 70 S 4.4831 8.3977 109.1241 59.2066 63.3729 174.1395 71 K 4.7282 7.9452 121.0677 55.2280 30.3340 177.0273 72 V 4.7091 7.4407 110.9512 60.4153 36.3015 175.4996 73 R 4.6224 8.4901 124.2254 53.5401 31.5631 175.5721 74 P 4.5868 0.0000 0.0000 63.7626 30.3438 174.4692 75 I 4.7915 7.8432 116.1989 61.6701 40.4154 171.9198 76 C 4.4840 10.0451 119.6345 58.1550 32.5579 173.0077 77 P 4.0125 0.0000 0.0000 62.4181 28.4023 175.4092 78 A 4.9556 6.1808 131.0190 53.1109 21.6439 177.5604 79 C 4.9015 7.6531 116.7664 60.5152 28.6174 176.2668 80 G 3.7700 9.4951 106.9402 46.4900 0.0000 172.6701 81 K 4.3186 7.2697 120.1033 54.4809 30.8154 173.6939 82 P 4.3088 0.0000 0.0000 63.1576 31.5062 174.3826 83 T 4.5285 8.1199 113.3815 60.9654 68.8960 173.7777 84 R 4.4474 7.9410 134.1855 56.3236 33.1432 174.7751 85 V 4.6493 8.1100 115.8901 62.3363 35.2586 173.8915 86 R 4.8642 8.7062 123.4444 54.5858 33.6496 175.1838 87 K 4.8471 8.3083 114.7473 54.9984 34.6034 177.2119 88 K 3.9808 9.1806 115.8515 57.0343 29.6936 176.5258 89 F 3.9511 10.1079 118.9304 57.9404 37.6151 175.7430 90 L 4.5421 7.4391 119.3863 53.2821 41.0133 173.6519 91 E 4.6398 8.5250 119.5941 58.8245 33.4628 175.6505 92 N 5.3044 7.6868 113.6621 53.6870 39.6942 175.7576 93 G 3.9830 8.0204 103.9483 45.8044 0.0000 173.2928 94 K 4.8437 8.4735 120.1946 55.5847 34.7055 175.5989 95 K 5.0480 8.3832 123.4364 54.5411 35.5016 175.5583 96 I 4.3482 8.5738 121.9709 60.6339 38.4461 176.0774 97 R 3.7559 7.8542 121.0816 57.0122 29.4029 177.1419 98 V 3.2106 8.2031 123.9852 62.1042 29.6359 170.1367 99 C 4.8027 6.6358 116.5753 59.7801 35.9769 171.6523 100 A 4.6564 7.7758 120.5521 50.9768 22.1328 177.5663 101 K 4.1750 8.3371 121.3468 56.6294 32.4407 175.6288 *102 C 4.3630 8.5241 112.7632 58.3663 28.5244 169.4025 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 2 R 8.11 4.13 0.00 1.83 1.90 0.00 3.46 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 3 V 8.76 3.31 2.09 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 0.83 0.00 0.00 0.94 0.00 0.00 4 K 9.16 4.02 0.00 1.88 1.95 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.42 7.81 5 M 7.26 3.83 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.61 0.00 6 H 8.05 5.13 0.00 3.18 3.16 0.00 5.49 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 7 V 7.60 4.41 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 0.85 0.00 0.00 0.87 0.00 0.00 8 K 9.00 4.23 0.00 1.68 1.74 0.00 1.61 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.46 7.81 9 K 7.92 4.16 0.00 1.87 1.76 0.00 1.49 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.39 7.81 10 G 8.57 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 11 D 7.34 4.46 0.00 2.70 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 12 T 8.31 4.37 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 13 V 7.89 4.55 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 0.64 0.00 0.00 0.98 0.00 0.00 14 L 8.07 4.91 0.00 1.82 1.85 1.00 0.72 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 V 8.01 4.83 2.33 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 1.06 0.00 0.00 1.01 0.00 0.00 16 A 8.36 4.81 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 17 S 8.30 4.35 0.00 4.06 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.51 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.94 4.00 0.00 1.16 1.30 0.00 1.89 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.44 7.81 20 Y 7.41 4.77 0.00 3.19 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 21 K 7.88 4.39 0.00 1.72 1.77 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.62 7.81 22 G 7.45 4.86 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 23 R 6.94 4.69 0.00 1.78 1.83 0.00 3.31 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 24 V 8.62 4.47 2.09 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 0.83 0.00 0.00 0.94 0.00 0.00 25 G 8.39 4.04 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 0.00 0.00 0.00 26 K 8.17 5.11 0.00 1.72 1.70 0.00 1.64 0.00 0.00 2.28 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.37 7.81 27 V 8.13 3.75 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 0.93 0.00 0.00 0.97 0.00 0.00 28 K 7.79 4.40 0.00 1.70 1.75 0.00 1.86 0.00 0.00 1.67 0.00 0.00 3.21 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 1.58 7.81 29 E 8.19 3.69 0.00 1.98 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 0.00 2.22 2.32 0.00 30 V 7.35 3.63 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 0.78 0.00 0.00 0.91 0.00 0.00 31 L 7.85 4.18 0.00 1.62 1.66 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.67 0.00 1.93 2.00 0.00 3.69 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 1.93 1.86 0.00 33 K 7.62 3.77 0.00 1.77 1.85 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.49 7.81 34 K 7.86 4.02 0.00 1.76 1.88 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.44 7.81 35 Y 7.71 3.30 0.00 3.05 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 36 A 7.10 5.65 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.34 4.55 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 0.64 0.00 0.00 0.94 0.00 0.00 38 I 10.05 4.71 1.88 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 1.27 0.37 1.01 0.00 0.00 39 V 7.20 3.12 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 0.79 0.00 0.00 0.88 0.00 0.00 40 E 8.03 5.46 0.00 1.92 1.88 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 2.19 2.23 0.00 41 G 7.79 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 42 V 7.84 2.29 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 0.70 0.00 0.00 -0.07 0.00 0.00 43 N 8.03 4.68 0.00 2.82 2.68 0.00 0.00 6.03 7.81 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 44 I 7.87 4.71 1.88 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 1.14 0.52 0.93 0.00 0.00 45 V 8.37 3.92 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 0.96 0.00 0.00 0.99 0.00 0.00 46 K 7.73 4.15 0.00 1.81 1.52 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.34 7.81 47 K 7.94 3.93 0.00 1.72 1.87 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.49 7.81 48 A 7.55 4.70 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 49 V 8.33 4.17 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 0.97 0.00 0.00 50 R 8.13 3.91 0.00 1.99 2.14 0.00 3.53 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.90 0.00 51 V 7.95 3.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.93 0.00 0.00 52 S 7.46 4.71 0.00 3.97 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 53 P 0.00 4.19 0.00 2.10 2.17 0.00 3.68 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 2.04 2.21 0.00 54 K 8.18 3.93 0.00 1.54 1.20 0.00 1.66 0.00 0.00 1.53 0.00 0.00 2.70 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.72 1.09 7.81 55 Y 8.80 3.64 0.00 3.01 2.99 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 56 P 0.00 4.31 0.00 2.17 1.80 0.00 3.80 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 2.04 2.17 0.00 57 Q 7.69 3.76 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 58 G 8.64 3.72 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 0.00 0.00 0.00 59 G 7.86 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 0.00 0.00 0.00 60 F 8.55 4.63 0.00 2.94 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 61 I 8.13 4.58 1.87 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 1.45 0.31 0.92 0.00 0.00 62 E 8.04 3.70 0.00 2.09 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 2.24 2.24 0.00 63 K 7.91 4.63 0.00 1.72 1.62 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.39 7.81 64 E 8.37 4.57 0.00 2.03 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 65 A 8.31 4.62 1.17 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 0.00 0.00 66 P 0.00 4.43 0.00 1.92 2.05 0.00 3.71 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 67 L 7.72 4.33 0.00 1.62 1.47 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.29 4.99 0.00 3.31 3.19 0.00 5.73 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.73 4.07 1.10 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 70 S 8.40 4.48 0.00 4.01 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 71 K 7.95 4.73 0.00 1.81 1.81 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.43 7.81 72 V 7.44 4.71 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 0.63 0.00 0.00 0.95 0.00 0.00 73 R 8.49 4.62 0.00 1.67 1.84 0.00 3.36 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 74 P 0.00 4.59 0.00 2.28 2.16 0.00 3.83 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 2.33 1.97 0.00 75 I 7.84 4.79 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 1.28 0.86 0.95 0.00 0.00 76 C 10.05 4.48 0.00 3.05 3.13 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 77 P 0.00 4.01 0.00 2.15 2.32 0.00 3.89 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 78 A 6.18 4.96 1.07 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 79 C 7.65 4.90 0.00 3.05 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 0.00 0.00 0.00 80 G 9.50 3.77 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 0.00 0.00 0.00 81 K 7.27 4.32 0.00 1.75 1.71 0.00 1.81 0.00 0.00 1.90 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.53 7.81 82 P 0.00 4.31 0.00 2.22 2.03 0.00 3.59 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 2.12 2.10 0.00 83 T 8.12 4.53 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 1.21 0.00 0.00 84 R 7.94 4.45 0.00 1.98 1.90 0.00 3.15 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 85 V 8.11 4.65 2.09 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 0.94 0.00 0.00 0.94 0.00 0.00 86 R 8.71 4.86 0.00 1.92 1.76 0.00 3.11 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 87 K 8.31 4.85 0.00 1.92 1.98 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.51 7.81 88 K 9.18 3.98 0.00 2.08 1.95 0.00 1.63 0.00 0.00 1.85 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.53 7.81 89 F 10.11 3.95 0.00 3.13 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 90 L 7.44 4.54 0.00 1.69 1.74 0.96 1.03 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 91 E 8.52 4.64 0.00 2.06 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 0.00 2.26 2.40 0.00 92 N 7.69 5.30 0.00 2.61 2.72 0.00 0.00 7.32 7.98 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 93 G 8.02 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.47 4.84 0.00 1.84 1.94 0.00 1.47 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.42 7.81 95 K 8.38 5.05 0.00 1.90 1.64 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.36 7.81 96 I 8.57 4.35 1.89 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 1.49 0.65 1.06 0.00 0.00 97 R 7.85 3.76 0.00 1.98 2.01 0.00 3.22 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 98 V 8.20 3.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.93 0.00 0.00 99 C 6.64 4.80 0.00 3.03 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 0.00 100 A 7.78 4.66 1.19 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 0.00 0.00 101 K 8.34 4.18 0.00 1.91 1.76 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.37 7.81 *102 C 8.52 4.36 0.00 2.74 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.