NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4438 8.3349 115.5391 57.5064 64.2542 172.9865 4 K 4.6649 7.7712 117.5330 55.4943 34.6341 174.0832 5 H 4.9078 9.2196 119.9792 54.2667 33.8627 172.7293 6 F 4.6968 9.0966 122.3191 57.5139 39.4888 175.0923 7 I 4.5618 8.5250 117.3312 59.1063 39.8064 175.5069 8 S 4.3539 8.4778 117.5266 57.9224 63.7724 175.2684 9 K 3.8700 8.6227 121.1542 59.7016 31.6253 178.9399 10 K 3.8639 7.8226 117.1784 59.2285 32.1608 178.8398 11 E 3.9667 8.0758 118.7527 59.1897 29.3365 179.0735 12 A 3.5590 7.6846 120.7457 54.8834 18.2867 179.2773 13 K 2.7368 6.9486 117.9141 59.5032 32.0205 178.7275 14 R 3.8925 7.3180 118.7456 59.5269 29.7412 178.6543 15 I 3.5805 7.0693 118.0486 63.8698 37.1815 177.9238 16 W 4.5224 7.7767 119.2515 59.9744 28.9844 178.1056 17 E 4.2335 8.3017 117.4831 59.3164 28.9832 179.7454 18 Q 4.0295 7.8687 114.3938 56.9011 28.4799 178.0521 *20 S 4.4674 8.0582 116.5222 58.1642 64.1471 175.9172 21 R 3.7744 7.6078 118.5665 58.7443 29.8917 176.9593 22 Y 4.6243 7.8415 113.5332 57.4400 38.2620 176.7495 23 G 4.3503 8.0380 106.6817 46.4714 0.0000 174.0797 24 I 3.8099 7.5389 120.4817 59.9815 36.8481 175.3479 25 D 4.5659 8.3607 126.9486 52.9765 40.6177 175.2630 26 I 4.3902 7.8026 119.3068 60.3302 38.3210 175.3016 27 T 2.7742 7.3930 117.6509 65.6101 68.4218 174.6995 28 G 3.4677 5.3800 114.0825 44.9096 0.0000 173.2923 29 E 4.2156 6.8727 120.1397 55.7934 30.0657 176.8059 30 S 4.8121 8.7094 118.4630 58.0542 64.4665 173.2765 31 L 5.2939 8.5889 121.3177 53.2048 45.7134 174.9680 32 E 4.9175 8.7889 121.2666 54.4438 32.5841 175.4379 33 V 4.7995 8.6573 122.5512 60.0082 34.7459 174.3619 34 A 5.1975 8.5123 122.4276 50.6262 23.1071 174.5881 35 A 5.4253 8.5259 119.8154 50.7889 22.9276 176.8031 36 Q 4.3833 9.0573 112.6400 56.0559 32.9398 175.7686 37 K 3.8210 8.3526 115.2607 57.0841 30.0738 175.3260 38 S 4.6300 8.0256 110.8542 57.1233 64.4196 173.7323 39 A 5.1954 6.7626 123.6729 52.1142 21.7606 175.2540 40 S 5.0239 8.0922 114.1691 56.6591 67.5716 172.9956 41 A 4.6445 8.0613 122.1212 50.2397 22.4600 174.5825 42 Y 4.9305 8.5286 119.1882 56.5597 39.8265 175.1020 43 Y 4.8845 9.4395 122.5496 56.5595 40.9948 174.9027 44 I 4.6750 8.3445 122.6685 59.7739 40.8402 176.1276 45 G 3.7243 10.0397 117.1422 46.6393 0.0000 174.1595 46 G 4.0169 8.6292 105.9747 44.8641 0.0000 173.9761 47 K 4.7107 7.8071 119.6668 53.5135 34.5990 174.3258 48 P 3.5595 0.0000 0.0000 62.1362 32.2149 175.6397 *50 V 3.8000 7.9877 117.8096 62.8796 32.8695 173.8104 51 F 5.1817 9.3148 127.0713 55.9742 41.9490 174.7964 52 Q 4.7129 9.3954 124.9364 54.3813 29.5722 173.5399 53 A 4.3714 8.6861 128.1770 49.1127 18.0070 174.3196 54 G 4.0314 9.0787 115.2305 42.7117 0.0000 172.0760 55 D 4.8962 7.7300 115.7816 51.5070 44.0318 175.3698 56 L 4.8400 8.3349 120.5689 54.5367 42.4215 176.6318 57 I 4.7123 9.1286 125.9657 58.6352 39.7713 173.6476 58 P 4.7052 0.0000 0.0000 62.4785 32.3630 176.4674 59 S 4.6012 8.2882 116.3131 57.5784 64.3006 175.5598 60 V 3.7190 8.3065 113.7668 64.4315 31.1455 178.5421 61 Y 4.4265 7.3970 116.5762 60.9789 37.8438 177.7797 62 L 4.1209 8.1402 121.3440 58.1948 41.7184 178.8675 63 L 3.7695 8.0937 118.9926 57.5628 41.2738 178.7412 64 N 4.8267 7.8718 114.3436 54.7664 38.9306 176.2963 65 Y 4.8029 7.7467 120.5779 58.7975 39.7842 175.3085 66 R 4.2084 8.2021 118.9302 53.5411 31.6122 174.0640 67 N 4.3132 8.6859 118.8449 51.9171 39.2271 173.6376 68 P 4.4212 0.0000 0.0000 62.5263 32.6512 176.1349 69 S 4.7271 8.8719 112.2355 58.0394 63.7153 173.6348 70 R 5.1021 7.4474 116.0606 55.7123 32.3898 173.5040 71 N 4.2700 9.1040 112.3901 54.5137 36.4948 174.1071 72 I 4.9448 7.8896 117.6033 60.6518 38.9184 175.7871 73 V 4.5482 8.8519 125.3009 61.5377 34.7978 174.0171 74 T 4.9708 9.0600 125.1015 62.1218 70.3286 174.3468 75 V 4.9275 8.3279 119.2816 59.4480 35.2785 175.1218 76 D 4.7832 8.5968 122.8108 52.2837 41.1192 176.9803 77 E 3.9754 8.9788 119.0905 59.3803 29.5750 178.2522 78 G 3.7022 8.1621 105.9264 48.3297 0.0000 175.0070 79 A 4.1758 8.5442 122.1962 54.5945 18.3211 178.9006 80 E 3.8340 7.8759 117.9359 59.4923 29.1405 177.5286 81 P 4.2451 0.0000 0.0000 66.0031 31.3829 178.2611 82 H 4.1478 7.8425 114.3022 58.5350 28.7506 177.6942 83 I 3.6967 7.8963 121.8112 64.2376 36.7123 178.3345 84 L 4.1408 8.2418 119.0846 56.8593 41.4259 178.1666 85 N 4.7334 7.2430 114.3538 52.4566 38.9058 175.6401 86 G 2.9021 7.2545 108.9302 44.5445 0.0000 174.0999 87 S 4.2481 7.3767 113.9820 58.0408 62.9966 173.7938 88 D 4.4536 8.6199 124.2811 54.3709 41.9343 175.1799 89 L 4.4780 8.4505 122.9581 53.6127 43.9860 175.0858 90 F 5.0716 8.5825 124.4923 55.5840 41.0859 176.5795 91 A 4.0133 9.1332 126.4668 55.1593 18.3186 178.3714 92 P 4.2426 0.0000 0.0000 65.1623 31.6369 177.2960 93 G 3.9712 8.3166 105.7941 46.0873 0.0000 172.8584 94 I 4.5393 7.5919 121.9267 60.1571 38.0999 175.9572 95 V 3.8354 8.9811 126.4040 65.0704 31.9516 175.3599 96 S 4.3235 7.3622 111.5991 57.5739 65.5759 172.3431 *98 D 4.5966 8.3521 118.7311 54.1787 41.3714 175.2603 99 D 4.6602 8.8287 124.9408 54.4615 39.6037 176.6454 100 S 4.5755 8.5354 114.4234 58.3006 63.8491 174.5262 101 I 4.0323 7.6009 123.8129 61.6761 37.5302 175.3340 102 R 5.0228 9.2937 123.4482 53.4647 33.6108 174.9047 103 K 3.9201 8.9197 121.7099 58.5075 32.3802 176.7029 104 G 4.2053 8.8326 114.5604 45.8832 0.0000 174.9760 105 D 4.9199 7.3032 124.3966 53.6777 39.9463 178.0225 *107 I 3.4908 8.1732 121.2141 61.5185 39.4132 173.6801 108 F 5.2741 8.4057 122.0343 55.8648 41.6537 174.5910 109 V 4.7111 8.9793 125.6575 61.9521 32.8106 175.0158 110 K 4.7577 9.0264 126.8264 54.7331 36.0186 175.6871 111 S 4.5489 8.3897 116.9871 57.7368 63.1762 175.3087 112 S 4.0476 7.8750 118.6746 60.4665 62.7874 175.3087 113 K 4.1071 7.7355 119.8756 56.6046 32.1668 176.1214 114 G 4.1096 7.8856 109.2148 46.0169 0.0000 174.5892 115 Y 4.3816 7.2009 116.8613 56.2314 38.9976 174.7368 116 F 4.7805 8.8170 120.6996 57.3109 39.9372 175.5045 117 I 4.8025 8.7306 115.9259 60.8802 39.4293 174.6349 118 A 4.7126 7.8204 122.6549 51.4655 22.7158 174.7400 119 V 4.8047 8.8799 119.3645 60.3864 34.2187 173.3906 120 G 4.1212 9.0358 116.6429 44.8807 0.0000 173.6209 *122 A 4.2723 8.6350 126.1165 51.3755 20.0070 176.2298 123 E 4.6905 9.0841 120.7103 56.4246 30.7777 175.8949 *125 D 4.4600 8.0285 118.7224 53.7887 42.0995 176.4052 126 A 4.0031 8.8204 125.7796 55.5046 18.7152 180.2614 127 G 3.7892 8.2125 101.4383 48.1294 0.0000 175.0787 128 E 4.1455 8.1026 121.9988 58.5542 29.5934 178.9650 129 V 3.4434 7.5615 113.8237 64.1380 31.0393 177.0854 *131 A 4.2523 7.9172 121.6324 51.3884 20.3369 178.3244 132 T 4.2727 8.0011 104.4190 61.4199 70.1017 175.1331 133 K 4.0039 8.3264 120.0165 56.4312 30.1316 175.2026 134 R 4.5733 7.9759 112.3884 55.8063 32.6166 174.4451 135 G 3.8699 8.8866 105.4263 44.5169 0.0000 172.7248 136 K 4.1170 8.3454 119.8779 55.4507 31.9901 176.4059 137 A 4.0679 8.7044 131.0365 54.8421 18.8990 176.7582 138 A 4.6489 7.2266 115.7337 51.3899 21.7322 174.8116 139 R 4.8438 8.0725 115.9443 54.2865 31.5473 175.4637 140 I 4.4546 8.1419 122.0886 60.7626 37.9361 175.5683 141 I 4.4741 8.4048 118.3457 61.3766 39.0617 175.3021 142 H 5.1793 8.0935 122.7149 55.2239 33.3214 171.9758 143 F 5.1527 8.3402 118.9005 54.6976 41.8577 171.8823 144 P 4.2318 0.0000 0.0000 64.0866 31.4675 177.0914 145 G 3.8909 8.8427 109.7671 46.3351 0.0000 174.2312 146 D 4.2400 6.9711 120.7888 52.2060 41.9724 176.2588 147 E 3.8669 8.3564 116.5090 59.8069 29.4679 178.8583 148 L 3.7294 7.5097 119.3408 57.6201 41.3816 179.4101 149 I 3.9778 7.6207 118.5207 64.3389 37.1042 178.4468 150 R 4.0583 7.9008 118.0991 58.8888 29.9396 178.4687 151 A 3.9967 7.8934 119.8291 53.0389 19.8027 177.6223 152 F 5.0492 7.4834 114.9279 54.6961 39.1340 173.5804 153 P 4.5675 0.0000 0.0000 63.0518 31.1168 176.6869 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 S 8.33 4.44 0.00 3.87 3.91 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 4 K 7.77 4.66 0.00 1.49 1.36 0.00 1.40 0.00 0.00 1.02 0.00 0.00 2.13 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.95 1.28 7.81 5 H 9.22 4.91 0.00 3.03 3.14 0.00 5.61 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 9.10 4.70 0.00 2.99 3.05 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 7 I 8.53 4.56 1.91 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.61 1.05 0.00 0.00 8 S 8.48 4.35 0.00 4.01 4.06 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 9 K 8.62 3.87 0.00 1.83 1.83 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.33 0.00 0.00 3.64 0.00 0.00 0.00 0.00 1.64 1.56 7.81 10 K 7.82 3.86 0.00 1.70 1.78 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.49 7.81 11 E 8.08 3.97 0.00 2.10 1.95 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 2.28 2.46 0.00 12 A 7.68 3.56 0.81 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 0.00 0.00 0.00 0.00 0.00 13 K 6.95 2.74 0.00 1.48 1.70 0.00 1.64 0.00 0.00 1.52 0.00 0.00 2.92 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.39 1.55 7.81 14 R 7.32 3.89 0.00 1.73 1.90 0.00 3.09 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 15 I 7.07 3.58 1.67 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 -0.02 0.58 0.00 0.00 16 W 7.78 4.52 0.00 3.46 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 17 E 8.30 4.23 0.00 2.05 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 2.40 2.68 0.00 18 Q 7.87 4.03 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.38 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 *20 S 8.06 4.47 0.00 4.01 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 0.00 21 R 7.61 3.77 0.00 1.42 1.39 0.00 3.08 0.00 0.00 3.09 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 22 Y 7.84 4.62 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 23 G 8.04 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 0.00 0.00 0.00 0.00 24 I 7.54 3.81 1.80 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.41 0.79 0.00 0.00 25 D 8.36 4.57 0.00 2.53 2.47 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 0.00 26 I 7.80 4.39 1.85 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 1.43 0.75 0.93 0.00 0.00 27 T 7.39 2.77 4.06 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 0.96 0.00 0.00 28 G 5.38 3.47 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 0.00 0.00 0.00 0.00 29 E 6.87 4.22 0.00 2.10 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 2.19 2.33 0.00 30 S 8.71 4.81 0.00 4.25 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 0.00 31 L 8.59 5.29 0.00 1.74 1.75 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.79 4.92 0.00 1.59 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 1.47 1.47 0.00 33 V 8.66 4.80 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 0.71 0.00 0.00 0.30 0.00 0.00 34 A 8.51 5.20 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 35 A 8.53 5.43 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 36 Q 9.06 4.38 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 5.98 0.00 0.00 0.00 0.00 0.00 2.20 1.83 0.00 37 K 8.35 3.82 0.00 1.88 1.89 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.36 7.81 38 S 8.03 4.63 0.00 3.96 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 39 A 6.76 5.20 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 40 S 8.09 5.02 0.00 3.61 3.52 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 41 A 8.06 4.64 -0.01 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 0.00 0.00 42 Y 8.53 4.93 0.00 2.71 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 43 Y 9.44 4.88 0.00 2.64 2.80 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 44 I 8.34 4.67 1.86 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 1.29 0.85 0.91 0.00 0.00 45 G 10.04 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 46 G 8.63 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 47 K 7.81 4.71 0.00 1.75 1.65 0.00 0.83 0.00 0.00 1.20 0.00 0.00 2.78 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.17 1.19 7.81 48 P 0.00 3.56 0.00 1.61 1.39 0.00 3.96 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 *50 V 7.99 3.80 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 1.03 0.00 0.00 0.86 0.00 0.00 51 F 9.31 5.18 0.00 2.91 2.80 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 52 Q 9.40 4.71 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.88 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 53 A 8.69 4.37 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 54 G 9.08 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 0.00 0.00 0.00 0.00 55 D 7.73 4.90 0.00 2.76 2.66 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 56 L 8.33 4.84 0.00 1.59 1.65 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 57 I 9.13 4.71 2.04 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 1.35 1.31 1.03 0.00 0.00 58 P 0.00 4.71 0.00 1.90 1.91 0.00 3.87 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.70 0.00 59 S 8.29 4.60 0.00 3.86 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 60 V 8.31 3.72 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 1.11 0.00 0.00 0.65 0.00 0.00 61 Y 7.40 4.43 0.00 2.99 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 62 L 8.14 4.12 0.00 1.77 1.76 1.03 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.09 3.77 0.00 1.88 1.21 0.97 -0.23 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 64 N 7.87 4.83 0.00 2.83 3.05 0.00 0.00 6.96 8.52 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 65 Y 7.75 4.80 0.00 2.94 3.22 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 66 R 8.20 4.21 0.00 1.49 1.56 0.00 3.21 0.00 0.00 2.81 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.29 0.00 67 N 8.69 4.31 0.00 2.72 2.86 0.00 0.00 7.32 8.02 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 68 P 0.00 4.42 0.00 2.01 1.27 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.15 0.00 69 S 8.87 4.73 0.00 4.01 4.11 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 70 R 7.45 5.10 0.00 1.99 1.98 0.00 3.23 0.00 0.00 3.50 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.93 0.00 71 N 9.10 4.27 0.00 3.15 2.76 0.00 0.00 7.39 6.83 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 72 I 7.89 4.94 2.01 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.92 1.08 0.00 0.00 73 V 8.85 4.55 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 1.00 0.00 0.00 0.91 0.00 0.00 74 T 9.06 4.97 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 1.16 0.00 0.00 75 V 8.33 4.93 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 0.81 0.00 0.00 0.93 0.00 0.00 76 D 8.60 4.78 0.00 2.79 2.81 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 0.00 0.00 0.00 77 E 8.98 3.98 0.00 1.94 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 2.33 0.00 78 G 8.16 3.70 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 0.00 0.00 0.00 79 A 8.54 4.18 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 80 E 7.88 3.83 0.00 1.98 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 2.38 2.43 0.00 81 P 0.00 4.25 0.00 1.93 2.02 0.00 3.68 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 2.05 2.16 0.00 82 H 7.84 4.15 0.00 3.19 3.34 0.00 5.62 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 83 I 7.90 3.70 2.01 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 1.76 0.99 0.92 0.00 0.00 84 L 8.24 4.14 0.00 1.84 1.81 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 85 N 7.24 4.73 0.00 2.58 2.73 0.00 0.00 7.14 7.53 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 86 G 7.25 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 0.00 0.00 0.00 87 S 7.38 4.25 0.00 3.90 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 88 D 8.62 4.45 0.00 2.21 2.19 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 8.45 4.48 0.00 1.62 1.49 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.58 5.07 0.00 3.03 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 91 A 9.13 4.01 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 92 P 0.00 4.24 0.00 2.08 2.15 0.00 3.84 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 2.06 2.33 0.00 93 G 8.32 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 94 I 7.59 4.54 2.01 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 1.17 0.62 0.97 0.00 0.00 95 V 8.98 3.84 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 0.76 0.00 0.00 0.90 0.00 0.00 96 S 7.36 4.32 0.00 3.99 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 *98 D 8.35 4.60 0.00 2.78 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 99 D 8.83 4.66 0.00 2.81 2.77 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 0.00 100 S 8.54 4.58 0.00 3.98 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 0.00 101 I 7.60 4.03 1.95 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 1.28 0.70 0.88 0.00 0.00 102 R 9.29 5.02 0.00 1.73 1.77 0.00 3.31 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 103 K 8.92 3.92 0.00 1.66 1.74 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.40 7.81 104 G 8.83 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 0.00 0.00 0.00 0.00 105 D 7.30 4.92 0.00 2.70 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 0.00 0.00 0.00 *107 I 8.17 3.49 1.71 0.00 0.00 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 1.21 0.67 0.77 0.00 0.00 108 F 8.41 5.27 0.00 3.05 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 0.00 109 V 8.98 4.71 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 0.84 0.00 0.00 0.95 0.00 0.00 110 K 9.03 4.76 0.00 1.13 0.74 0.00 0.75 0.00 0.00 1.40 0.00 0.00 2.54 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.20 1.07 7.81 111 S 8.39 4.55 0.00 3.54 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 0.00 112 S 7.87 4.05 0.00 3.88 3.91 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 0.00 113 K 7.74 4.11 0.00 1.51 1.97 0.00 1.93 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.49 1.35 7.81 114 G 7.89 4.11 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 0.00 0.00 0.00 115 Y 7.20 4.38 0.00 3.30 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 0.00 116 F 8.82 4.78 0.00 3.19 3.14 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 0.00 117 I 8.73 4.80 2.00 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 1.38 0.75 1.11 0.00 0.00 118 A 7.82 4.71 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 0.00 119 V 8.88 4.80 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 1.08 0.00 0.00 1.21 0.00 0.00 120 G 9.04 4.12 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 0.00 *122 A 8.63 4.27 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 0.00 123 E 9.08 4.69 0.00 2.01 1.89 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 2.17 2.31 0.00 *125 D 8.03 4.46 0.00 2.73 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 0.00 126 A 8.82 4.00 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 0.00 127 G 8.21 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 0.00 128 E 8.10 4.15 0.00 2.05 1.95 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 2.38 2.37 0.00 129 V 7.56 3.44 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 1.04 0.00 0.00 0.98 0.00 0.00 *131 A 7.92 4.25 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 0.00 132 T 8.00 4.27 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 1.23 0.00 0.00 133 K 8.33 4.00 0.00 1.91 1.94 0.00 1.88 0.00 0.00 1.89 0.00 0.00 3.08 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.38 1.51 7.81 134 R 7.98 4.57 0.00 1.83 1.86 0.00 3.04 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 135 G 8.89 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 0.00 136 K 8.35 4.12 0.00 1.74 1.71 0.00 1.70 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.18 0.83 7.81 137 A 8.70 4.07 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 0.00 138 A 7.23 4.65 1.13 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 0.00 139 R 8.07 4.84 0.00 1.93 1.97 0.00 2.94 0.00 0.00 3.40 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 140 I 8.14 4.45 1.93 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.46 1.08 0.00 0.00 141 I 8.40 4.47 1.90 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 1.27 0.68 0.92 0.00 0.00 142 H 8.09 5.18 0.00 3.20 3.19 0.00 5.69 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 F 8.34 5.15 0.00 3.19 3.05 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 0.00 144 P 0.00 4.23 0.00 2.17 2.12 0.00 4.00 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 145 G 8.84 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 0.00 146 D 6.97 4.24 0.00 1.98 1.54 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 0.00 147 E 8.36 3.87 0.00 2.11 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 0.00 2.26 2.24 0.00 148 L 7.51 3.73 0.00 0.99 0.13 0.43 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 149 I 7.62 3.98 1.91 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.54 1.02 0.00 0.00 150 R 7.90 4.06 0.00 1.72 1.94 0.00 3.14 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.94 0.00 151 A 7.89 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 F 7.48 5.05 0.00 3.42 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 0.00 153 P 0.00 4.57 0.00 2.12 2.06 0.00 3.82 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 2.06 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.