NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.2957 8.0549 120.6550 62.9603 32.2332 174.0579 3 Q 4.6115 8.7895 125.4563 53.4842 33.8743 172.6465 4 L 5.3102 8.5130 119.6498 53.2471 46.7622 175.6801 5 V 4.3203 8.7671 122.2289 61.8150 35.0275 174.6869 6 Q 5.0050 8.7084 127.1747 54.5493 30.7654 175.0300 7 S 4.4206 8.5014 116.2246 58.3651 64.3411 173.8326 8 G 4.0925 8.3287 107.7002 44.6178 0.0000 173.1646 9 A 4.4226 8.5660 121.0761 52.5403 19.0678 176.8981 10 E 4.5690 9.6745 121.4076 54.2733 33.3053 175.0015 11 V 4.6989 8.0808 124.2071 61.1319 30.9808 174.6710 12 K 4.3940 8.9444 126.3058 56.1816 34.2780 177.3044 13 R 4.6717 8.3179 122.4604 54.9977 31.4659 175.1483 14 P 4.4011 0.0000 0.0000 64.0778 31.7271 176.3717 15 G 4.0199 8.6434 113.7040 46.0972 0.0000 174.8673 16 S 4.3858 8.4071 118.0668 58.7374 63.5935 178.6973 17 S 4.6574 8.5318 117.4223 58.8628 63.8302 174.0565 18 V 4.4736 8.4805 120.7845 59.9886 35.9341 175.1231 19 T 4.7258 8.2652 119.1304 61.5952 70.3696 172.4577 20 V 4.1086 7.7869 126.4035 61.7609 33.1486 175.2674 21 S 4.4665 8.7274 123.7587 58.4080 64.9099 174.1413 22 C 4.6578 8.9029 124.9633 55.6891 46.5195 173.0120 23 K 4.9064 9.1809 130.7695 54.1056 32.8968 173.0179 24 A 5.1401 8.6277 127.1484 49.4955 21.6156 176.5535 25 S 4.4129 9.3931 118.0462 58.0803 65.1918 175.0300 26 G 4.1633 8.8512 109.5540 46.4937 0.0000 172.8570 27 G 4.0360 8.6422 106.6592 45.7128 0.0000 175.8227 28 S 4.5365 8.3369 115.4686 57.1167 60.2894 174.1131 29 F 4.1563 8.8761 131.6230 61.8282 39.6088 178.1018 30 S 4.2105 8.5089 115.2163 61.2339 61.9179 177.3567 31 T 4.2157 7.1969 106.6958 61.6551 69.1396 173.9682 32 Y 4.9498 6.9573 118.9495 55.8221 41.5249 175.3882 33 A 4.0847 9.1290 127.4646 53.0706 19.6188 177.3949 34 L 4.0103 8.6219 125.9894 54.7933 40.5228 173.4827 35 S 4.7032 8.3145 121.7512 57.4905 64.8964 172.9458 36 W 4.9728 9.2976 123.0771 54.9626 32.1758 175.0958 37 V 5.0621 9.2710 124.0523 61.5296 34.8558 173.7379 38 R 5.1226 9.4788 124.1604 54.4426 33.1561 174.5901 39 Q 4.9489 9.1536 120.7436 54.3280 32.1555 174.5339 40 A 4.3422 8.6527 129.5785 51.0137 19.2605 174.5183 41 P 4.3556 0.0000 0.0000 64.3372 31.3911 177.3094 42 G 3.9200 9.1013 111.6710 45.4246 0.0000 172.0897 43 R 4.6074 7.8279 117.9822 53.8589 33.0347 175.1788 44 G 4.0022 8.2315 108.3504 44.4386 0.0000 173.2037 45 L 4.4368 8.2448 119.3086 54.7970 42.5061 176.8497 46 E 4.7911 9.6421 123.9995 54.1735 32.8354 174.0595 47 W 4.8138 9.3016 135.0000 57.8919 31.2732 174.9413 48 M 4.3241 8.0604 126.5901 55.6839 33.0905 176.2878 49 G 3.4464 6.2756 103.1834 46.0427 0.0000 171.4962 50 G 4.7657 7.8700 105.8153 45.0174 0.0000 172.6579 51 V 4.7584 8.3757 119.8044 59.8507 34.8535 174.7520 52 I 4.4776 8.4567 126.8890 59.4468 37.1412 174.7515 53 P 4.4956 0.0000 0.0000 63.4693 31.5782 177.6471 54 L 4.0756 7.8056 121.2512 57.8877 42.3266 178.8142 55 L 4.7213 7.4771 117.0647 56.2270 42.5802 176.4354 56 T 3.4597 7.8193 109.5213 64.3790 66.5867 173.0742 57 I 4.1939 7.5372 122.0388 60.8207 39.1824 175.0728 58 T 4.8473 8.4111 119.2698 60.2829 71.7215 174.1777 59 N 4.7124 8.0556 121.8958 53.3764 41.1922 172.1732 60 Y 4.9678 8.4259 123.1651 55.9633 40.2472 175.6211 61 A 4.4673 9.1664 126.0557 51.5427 19.5467 176.6089 62 P 4.3403 0.0000 0.0000 65.8760 31.6856 178.4271 63 R 3.6957 8.0499 116.2064 58.8174 30.0028 176.6842 64 F 4.8109 8.0742 114.3398 57.3231 40.0918 175.7984 65 Q 4.1391 7.5968 120.4665 57.1534 28.9081 175.7418 66 G 4.1641 9.1653 110.6834 45.5514 0.0000 174.3983 67 R 4.6399 8.2479 112.7762 55.3496 31.5618 174.5934 68 I 4.8257 7.6095 118.6977 59.9279 41.0385 174.9852 69 T 4.5047 8.5080 125.6391 62.9146 72.7229 173.5656 70 I 4.6673 9.6691 128.1203 59.3197 36.8509 171.2086 71 T 4.8971 8.6453 122.4979 59.3563 70.7182 172.7023 72 A 5.2649 8.5858 127.0108 50.4931 22.1603 175.2052 73 D 4.8036 9.6001 123.8394 52.8157 41.3708 177.2458 74 R 4.0627 8.7683 125.7704 58.4286 30.7908 178.9580 75 S 4.1913 8.2485 112.4637 61.5624 63.0560 175.5079 76 T 3.9638 8.0505 108.7681 60.9130 69.7313 174.2117 77 S 2.7900 7.6012 120.5041 59.9569 60.0282 172.0913 78 T 5.1612 7.5734 113.1355 59.7014 73.4360 175.9086 79 A 5.3440 8.9422 127.0832 50.0667 22.5106 174.9308 80 Y 5.4784 9.4524 116.0877 56.0866 43.2569 174.2539 81 L 4.6151 7.9552 122.1086 53.6261 45.9037 173.9612 82 E 4.9192 9.4779 128.5253 53.7679 31.5156 173.8837 83 L 4.9804 8.0773 129.6895 53.5137 44.1085 174.9089 84 N 5.1332 8.4028 122.5304 50.7050 42.0733 174.1748 85 S 3.6070 8.3515 112.0560 59.3965 60.6935 172.2319 86 L 4.2720 7.8677 124.3831 55.6446 42.6712 178.2027 87 R 4.9629 8.1911 120.0772 53.3962 32.3497 174.6181 88 P 4.3639 0.0000 0.0000 66.3289 31.3163 178.2582 89 E 4.1726 8.0963 117.2261 58.5313 29.5751 176.9610 90 D 4.7288 8.1222 117.7064 54.8191 41.0048 176.2483 91 T 4.3748 7.7552 116.7929 64.4926 68.7024 173.5217 92 A 4.5106 8.8911 126.6927 50.8593 23.6018 175.0655 93 V 4.2710 8.5357 120.6973 62.8282 33.2882 174.6431 94 Y 4.8275 8.7577 125.9120 56.6339 39.5888 174.8229 95 Y 5.1400 9.2091 123.4555 57.4550 40.1768 172.2957 96 C 4.5564 8.7228 115.8718 53.2582 40.0775 172.2991 97 A 4.2084 8.1792 125.4293 49.4646 21.1026 174.7858 98 R 4.2812 8.4181 124.4240 55.4177 31.3845 175.6514 99 E 4.5650 8.4489 127.4011 56.8202 30.6536 176.2720 100 G 4.1740 8.9150 112.8714 44.9730 0.0000 172.1458 101 T 5.1703 7.9381 108.9006 59.5428 71.8800 174.0000 102 T 3.5340 8.2385 120.4687 65.0958 68.3878 173.1403 103 G 3.6682 9.1984 122.5002 46.4856 0.0000 174.1427 *107 L 4.1949 7.4640 129.0565 53.8218 41.5530 178.2902 108 G 4.0016 8.4879 111.9093 43.4282 0.0000 171.4324 109 K 3.8739 8.2841 120.7477 56.3125 32.8723 174.0540 110 P 4.7740 0.0000 0.0000 63.6807 31.3027 176.3001 111 I 3.9011 8.8069 117.0801 61.6244 38.5024 176.4017 112 G 4.2771 8.1934 114.9145 45.8537 0.0000 174.1328 113 A 3.7449 7.5698 122.5378 51.1429 19.0773 176.5834 114 F 5.1041 7.8874 118.5504 56.7971 37.9397 175.8303 115 A 4.3262 8.6536 126.1637 53.5281 19.5556 176.7514 116 H 5.0258 8.3238 113.1282 53.8723 31.9407 173.2529 117 W 5.2548 9.0522 121.6578 54.9571 33.2169 174.4593 118 G 4.2545 8.4998 109.0424 44.4317 0.0000 174.3917 119 Q 4.2397 8.7687 117.6242 60.2948 28.8351 175.7802 120 G 3.5610 7.1463 105.0117 43.3521 0.0000 172.9144 121 T 4.4578 8.1609 120.7667 61.5992 71.0581 173.7225 122 L 4.3414 8.7223 131.8637 55.2213 42.4659 175.8858 123 V 4.2261 8.7556 125.7439 60.6279 32.2535 173.3491 124 T 4.9378 8.9544 124.3783 61.3224 71.0375 174.3895 125 V 5.5488 8.7318 123.5576 60.1544 34.6120 175.4830 126 S 4.2792 8.4966 120.9887 58.7594 62.5038 173.7517 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 V 8.05 4.30 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 0.71 0.00 0.00 0.89 0.00 0.00 3 Q 8.79 4.61 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.62 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 4 L 8.51 5.31 0.00 1.51 1.42 0.74 0.63 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 5 V 8.77 4.32 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 1.03 0.00 0.00 0.95 0.00 0.00 6 Q 8.71 5.01 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 7 S 8.50 4.42 0.00 3.93 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 8 G 8.33 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 9 A 8.57 4.42 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 10 E 9.67 4.57 0.00 1.98 1.70 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 2.13 2.22 0.00 11 V 8.08 4.70 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 0.88 0.00 0.00 0.93 0.00 0.00 12 K 8.94 4.39 0.00 1.71 1.67 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.65 7.81 13 R 8.32 4.67 0.00 1.50 1.79 0.00 3.26 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.22 0.00 14 P 0.00 4.40 0.00 2.03 2.04 0.00 3.60 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 15 G 8.64 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 16 S 8.41 4.39 0.00 3.38 3.76 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 17 S 8.53 4.66 0.00 3.81 3.73 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 18 V 8.48 4.47 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 0.71 0.00 0.00 0.93 0.00 0.00 19 T 8.27 4.73 4.21 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 1.21 0.00 0.00 20 V 7.79 4.11 1.79 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 1.17 0.00 0.00 0.70 0.00 0.00 21 S 8.73 4.47 0.00 3.85 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 8.90 4.66 0.00 2.73 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 23 K 9.18 4.91 0.00 1.46 1.67 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.33 1.26 7.81 24 A 8.63 5.14 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 25 S 9.39 4.41 0.00 3.69 3.78 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 26 G 8.85 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 0.00 0.00 0.00 27 G 8.64 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 28 S 8.34 4.54 0.00 3.67 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 29 F 8.88 4.16 0.00 3.08 3.12 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 30 S 8.51 4.21 0.00 3.67 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 31 T 7.20 4.22 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 32 Y 6.96 4.95 0.00 2.89 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 33 A 9.13 4.08 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 34 L 8.62 4.01 0.00 1.35 1.60 0.92 0.52 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 35 S 8.31 4.70 0.00 2.93 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 36 W 9.30 4.97 0.00 3.12 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 37 V 9.27 5.06 2.42 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 1.54 0.00 0.00 1.15 0.00 0.00 38 R 9.48 5.12 0.00 1.05 1.46 0.00 2.21 0.00 0.00 2.71 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.40 0.00 39 Q 9.15 4.95 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.98 0.00 0.00 0.00 0.00 0.00 2.31 2.63 0.00 40 A 8.65 4.34 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 41 P 0.00 4.36 0.00 2.07 2.05 0.00 3.74 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 2.05 2.11 0.00 42 G 9.10 3.92 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 0.00 0.00 0.00 43 R 7.83 4.61 0.00 1.93 1.89 0.00 3.18 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 44 G 8.23 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 0.00 0.00 0.00 45 L 8.24 4.44 0.00 1.66 1.81 0.85 0.72 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 46 E 9.64 4.79 0.00 2.08 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 2.44 2.49 0.00 47 W 9.30 4.81 0.00 3.53 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 M 8.06 4.32 0.00 1.47 1.85 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 1.80 0.00 49 G 6.28 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 0.00 0.00 0.00 50 G 7.87 4.77 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 51 V 8.38 4.76 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 0.99 0.00 0.00 52 I 8.46 4.48 1.85 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 1.33 0.86 0.00 0.00 53 P 0.00 4.50 0.00 2.14 2.03 0.00 3.76 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 1.85 1.39 0.00 54 L 7.81 4.08 0.00 1.76 1.69 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.48 4.72 0.00 1.63 1.62 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.82 3.46 4.27 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 1.25 0.00 0.00 57 I 7.54 4.19 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 1.29 1.36 0.96 0.00 0.00 58 T 8.41 4.85 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 59 N 8.06 4.71 0.00 2.87 2.79 0.00 0.00 7.36 7.35 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 60 Y 8.43 4.97 0.00 2.97 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 61 A 9.17 4.47 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 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.34 0.00 2.22 2.19 0.00 3.79 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 63 R 8.05 3.70 0.00 1.52 1.12 0.00 2.98 0.00 0.00 2.44 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.46 0.00 64 F 8.07 4.81 0.00 3.26 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 65 Q 7.60 4.14 0.00 2.28 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.86 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 66 G 9.17 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 0.00 0.00 0.00 67 R 8.25 4.64 0.00 1.85 2.06 0.00 2.96 0.00 0.00 3.13 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 68 I 7.61 4.83 1.92 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 1.30 0.80 0.37 0.00 0.00 69 T 8.51 4.50 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 70 I 9.67 4.67 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 1.11 0.73 0.91 0.00 0.00 71 T 8.65 4.90 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 72 A 8.59 5.26 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 73 D 9.60 4.80 0.00 2.92 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 74 R 8.77 4.06 0.00 1.94 2.09 0.00 3.55 0.00 0.00 3.38 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.88 0.00 75 S 8.25 4.19 0.00 3.95 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 76 T 8.05 3.96 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 1.25 0.00 0.00 77 S 7.60 2.79 0.00 3.79 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.57 5.16 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 79 A 8.94 5.34 1.28 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 0.00 0.00 80 Y 9.45 5.48 0.00 2.93 2.75 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 81 L 7.96 4.62 0.00 0.27 0.13 0.63 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 82 E 9.48 4.92 0.00 1.92 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 2.25 1.95 0.00 83 L 8.08 4.98 0.00 1.45 1.31 1.01 0.44 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 84 N 8.40 5.13 0.00 2.58 2.64 0.00 0.00 7.12 7.30 0.00 0.00 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 8.35 3.61 0.00 3.92 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.87 4.27 0.00 1.78 1.57 0.86 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 87 R 8.19 4.96 0.00 1.73 1.77 0.00 3.27 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.40 0.00 88 P 0.00 4.36 0.00 2.23 2.36 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 89 E 8.10 4.17 0.00 2.03 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 0.00 2.34 2.36 0.00 90 D 8.12 4.73 0.00 2.91 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 T 7.76 4.37 4.37 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 1.25 0.00 0.00 92 A 8.89 4.51 0.99 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 0.00 0.00 93 V 8.54 4.27 1.94 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 0.20 0.00 0.00 0.87 0.00 0.00 94 Y 8.76 4.83 0.00 3.03 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 95 Y 9.21 5.14 0.00 3.46 3.20 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 96 C 8.72 4.56 0.00 1.75 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 97 A 8.18 4.21 -0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 R 8.42 4.28 0.00 1.67 1.67 0.00 3.04 0.00 0.00 2.96 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.39 0.00 99 E 8.45 4.56 0.00 2.18 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 2.28 2.30 0.00 100 G 8.92 4.17 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 0.00 101 T 7.94 5.17 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 102 T 8.24 3.53 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 0.00 103 G 9.20 3.67 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 0.00 0.00 0.00 *107 L 7.46 4.19 0.00 1.70 1.58 0.92 0.69 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 0.00 108 G 8.49 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 0.00 0.00 0.00 109 K 8.28 3.87 0.00 1.88 1.77 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.54 1.53 7.81 110 P 0.00 4.77 0.00 2.06 2.32 0.00 3.80 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.43 0.00 111 I 8.81 3.90 1.84 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 0.63 0.93 0.00 0.00 112 G 8.19 4.28 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 0.00 0.00 0.00 113 A 7.57 3.74 1.14 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 0.00 0.00 0.00 0.00 0.00 114 F 7.89 5.10 0.00 2.77 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 0.00 0.00 0.00 0.00 115 A 8.65 4.33 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 0.00 116 H 8.32 5.03 0.00 2.95 3.13 0.00 5.56 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 W 9.05 5.25 0.00 3.02 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 0.00 118 G 8.50 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Q 8.77 4.24 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.47 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 120 G 7.15 3.56 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 0.00 0.00 0.00 121 T 8.16 4.46 4.32 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 1.29 0.00 0.00 122 L 8.72 4.34 0.00 1.78 1.59 0.95 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 0.00 123 V 8.76 4.23 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 0.68 0.00 0.00 0.93 0.00 0.00 124 T 8.95 4.94 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 125 V 8.73 5.55 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 0.62 0.00 0.00 0.98 0.00 0.00 126 S 8.50 4.28 0.00 3.86 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 * Residues marked with a * may have inaccurate shift predictions.