NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.5546 8.0632 120.0957 55.7073 34.4558 173.5939 2 I 4.8602 8.8849 120.8643 58.7094 40.8550 173.0983 3 L 5.2711 9.8166 129.5450 53.3782 44.4871 174.9019 4 L 4.6844 8.8922 127.7207 54.4955 42.4423 176.3569 5 D 4.7007 8.7366 123.4816 53.6799 43.0426 177.2996 6 T 3.8794 8.6967 120.5562 66.9364 68.7206 175.8751 7 N 4.4484 8.2228 118.1835 55.7119 37.2431 176.8607 8 V 4.0905 8.1663 121.0531 66.0235 31.7105 177.6194 9 I 3.7652 7.9947 116.4323 64.1966 37.9141 177.1644 10 S 4.4002 8.1201 115.3544 60.7794 63.0100 175.6580 11 E 4.0457 8.3292 122.3963 59.1965 29.0966 177.5628 12 P 4.3213 0.0000 0.0000 65.4773 31.5753 177.7502 13 L 4.1445 7.7451 116.6010 56.6750 41.6616 177.5723 14 R 4.2819 7.5263 117.3704 54.6106 30.2721 174.0296 15 P 4.1260 0.0000 0.0000 65.4541 31.9214 177.1078 16 Q 4.5587 7.4774 120.7051 52.8652 28.5527 172.8641 17 P 4.3055 0.0000 0.0000 62.7071 31.9915 176.9563 18 N 4.1664 9.4077 121.3458 53.9802 39.5751 174.9446 19 E 3.8928 8.8065 126.6793 59.7521 29.8970 178.8631 20 R 3.8075 8.0565 119.4429 59.0832 29.9152 178.4813 21 V 3.3772 7.9989 118.1073 65.8848 31.4194 178.2775 22 V 3.6104 7.5440 117.5461 65.7336 31.1578 177.8705 23 A 3.9837 8.3167 121.0458 54.9444 18.0448 179.4444 24 W 4.1260 7.9531 125.2672 60.5893 30.8540 177.9237 25 L 3.6992 7.8906 118.2961 57.6547 41.4475 178.8953 26 D 4.4699 7.9418 118.6583 56.5654 40.4366 177.8702 27 S 4.3728 7.1527 113.0951 57.7027 63.3041 173.6259 28 L 4.4204 6.6725 120.9881 53.2863 44.1026 176.1805 29 I 4.1585 7.5098 121.2969 60.1610 38.1569 176.7656 30 L 3.4731 7.9305 127.5702 58.0966 42.4587 178.8302 31 E 3.8848 7.9445 117.0537 58.3764 29.7842 177.3226 32 D 4.7004 8.5146 117.9466 54.3840 42.3185 175.5016 33 V 4.7283 7.7901 119.6568 62.2585 32.4709 174.7749 34 Y 5.2043 9.5906 124.6184 56.2844 42.3862 174.3277 35 L 5.0970 8.8909 119.8834 53.0831 45.9046 176.1763 36 S 4.8805 8.5957 115.8926 57.1462 63.8863 174.6644 37 A 4.0101 8.9680 129.3293 55.5575 17.9798 180.1692 38 I 3.6369 7.8810 117.5131 65.0835 37.1613 178.5009 39 T 3.8747 7.8469 115.6920 66.6270 68.3363 176.5719 40 V 3.4892 8.0959 120.1586 65.9178 31.4288 177.4995 41 A 3.9565 8.3206 120.7681 55.5079 18.1215 179.1017 42 E 3.9105 8.3202 116.5037 60.0369 29.7493 179.7524 43 M 4.0319 8.2131 118.2591 58.6923 32.2411 178.9391 44 R 3.9350 8.5388 118.3401 59.3579 30.1983 178.8866 45 L 4.1535 8.4818 120.5391 57.8365 41.9246 179.0944 46 G 3.6880 8.2237 105.3326 47.4087 0.0000 175.7254 47 V 3.7501 7.7740 119.9560 66.0060 31.5279 177.7496 48 A 3.9858 7.6218 118.6619 55.4100 18.1931 178.8611 49 L 4.1911 7.7003 114.6025 55.0365 42.2471 177.5379 50 L 4.2677 7.4342 119.7971 53.8573 42.3301 176.9588 51 L 4.0615 8.2753 121.7306 54.6042 42.1308 177.0484 52 N 4.3156 8.8109 120.5960 54.0861 39.2598 174.7267 53 G 4.0182 7.9057 110.8481 44.3256 0.0000 172.9942 54 K 3.9972 8.5014 119.0236 59.4208 32.2441 179.2629 55 K 3.8023 8.1324 119.5279 59.8040 31.9883 178.3774 56 K 4.0477 8.0162 118.9358 59.3245 32.1312 178.4831 57 N 4.3497 7.7240 115.8829 56.0516 38.5032 177.5748 58 V 3.5301 7.7791 119.6231 65.9569 31.7102 177.6082 59 L 3.9515 7.8946 120.0917 58.6325 41.8563 178.4276 60 H 4.1238 8.2817 117.9789 59.2420 29.6731 176.7247 61 E 3.9063 8.2360 121.1177 59.3381 29.5248 178.6133 62 R 3.8449 8.5028 118.3855 59.6729 30.0931 178.4888 63 M 3.9722 8.4502 117.9688 58.8230 32.0455 177.8233 64 E 4.2104 7.9600 115.9548 57.6182 30.1449 177.6753 65 Q 4.4920 8.7836 117.1610 56.5913 29.6945 174.9664 66 S 4.6251 8.2492 113.1888 59.1212 67.0238 176.1561 67 I 3.5453 8.0506 116.5575 64.7558 37.0751 178.7008 68 L 3.9411 6.0612 125.1318 58.0946 42.6059 178.0066 69 P 4.4192 0.0000 0.0000 65.7189 31.2805 178.1082 70 L 4.0233 8.4838 116.5472 56.5215 41.6907 177.5431 71 F 4.5823 8.8226 117.2244 56.6335 39.7664 174.5637 72 A 4.1297 7.9309 124.8280 54.1106 18.2270 179.1407 73 G 4.0890 9.1460 111.3176 45.4682 0.0000 173.6940 74 R 4.8253 8.3593 119.4200 56.0472 31.4924 175.3234 75 I 4.9529 8.0193 120.4267 59.6322 39.1725 175.6053 76 L 4.5362 9.3087 129.5692 53.1998 42.4358 175.2968 77 P 4.6196 0.0000 0.0000 62.7559 32.4774 176.8679 78 F 4.3814 8.6559 124.8257 57.1249 37.8060 175.4494 79 D 4.6551 7.5928 125.9371 51.3111 42.8318 176.2357 80 E 3.9648 8.5751 119.4379 59.1823 29.3382 176.7258 81 P 4.1320 0.0000 0.0000 65.8371 31.3904 178.4602 82 V 3.4192 7.9984 116.5261 66.0351 31.0655 177.9215 83 A 3.9320 7.3621 119.7696 55.0069 18.1088 179.1984 84 A 3.9950 7.9820 119.2254 55.5163 18.3334 179.9100 85 I 3.6632 7.6931 117.5232 64.6980 37.3961 177.5269 86 Y 4.2406 8.3991 120.4516 61.0390 38.4702 178.0710 87 A 3.9401 8.6492 122.0040 55.2016 18.3790 179.6527 88 Q 4.0357 7.6486 117.2234 58.9718 28.7047 178.3023 89 I 3.6956 7.9397 122.5974 63.9008 37.0508 178.3667 90 R 3.9379 7.5976 118.0785 58.6743 30.1667 178.9723 91 S 4.0876 7.6626 113.8330 62.0774 62.6469 175.1718 92 Y 3.9058 8.3951 122.5474 59.6336 38.2799 177.2279 93 A 3.9536 8.1260 120.6629 55.2723 18.6547 179.5866 94 K 3.8508 7.9599 117.8900 59.5555 32.4212 179.2802 95 T 4.3713 7.5210 108.5811 61.6849 69.6080 174.9775 96 H 4.5119 7.8786 114.1828 56.2842 34.5795 173.9885 97 G 3.8739 7.7775 109.5843 45.0909 0.0000 174.6013 98 K 3.8275 8.4930 124.1566 56.1049 33.0765 175.7913 99 E 4.2849 8.4864 127.3148 55.3693 30.6722 175.2225 100 I 4.3355 7.7899 124.1105 59.0254 39.8630 176.0051 101 A 4.0656 8.3787 126.2219 51.5709 19.8522 178.1769 102 A 3.7234 8.4520 126.8414 55.2092 18.6525 179.5259 103 A 3.7230 7.7974 118.3735 55.8092 18.3681 179.5558 104 D 4.5046 8.0391 116.3078 57.2538 40.7969 179.2200 105 G 3.6745 8.0607 106.6750 47.6497 0.0000 175.5547 106 Y 4.7046 8.0447 119.3381 61.2102 37.8678 178.5978 107 I 3.8731 7.9744 120.0249 64.6039 37.3168 177.9925 108 A 4.3171 8.6279 121.2580 55.3684 18.3511 179.0949 109 A 4.0474 8.7841 118.9309 56.0529 18.0143 179.6559 110 T 3.8008 8.7071 113.9021 66.7940 68.5424 176.1501 111 A 3.9090 8.5326 122.6837 55.4289 18.1502 179.1679 112 K 3.7384 8.7175 117.9155 59.9518 31.9552 178.1669 113 Q 4.2159 7.4901 118.0603 59.7395 28.9082 177.8290 114 H 4.6392 7.5613 112.0376 54.8856 28.9875 175.8812 115 S 3.6542 8.6260 113.6438 59.5142 62.0570 171.1030 116 M 4.5228 7.9795 118.5290 55.5534 34.5370 177.1094 117 T 4.7467 8.2490 116.1666 62.0351 71.1559 174.2632 118 V 4.3586 8.5218 126.8762 62.1570 33.0488 174.5001 119 A 5.0859 8.9762 130.8303 51.1695 19.9725 175.5991 120 T 4.7587 8.3339 115.5166 61.4814 70.9230 174.7309 121 R 4.0601 8.8745 125.9866 57.9857 30.3278 176.5494 122 D 4.6967 7.7600 118.5939 53.1032 39.9698 175.7937 123 T 4.5288 8.0073 115.0413 63.3088 69.4427 176.7673 124 G 3.9587 8.2179 107.6254 47.4643 0.0000 174.5776 125 S 4.4757 7.8715 114.2748 60.7332 62.8433 175.7484 126 F 4.0568 8.2690 120.1416 60.8113 38.8224 177.5107 127 F 4.0339 8.6988 113.2979 59.9894 37.2549 176.8264 128 A 3.5280 7.2413 118.6162 52.8881 18.1627 178.0166 129 A 4.4224 8.4420 119.5809 50.7121 19.2548 176.8337 130 D 4.5251 7.8768 115.9680 55.6190 38.9795 173.7997 131 V 4.4459 7.0310 113.9765 60.5332 34.2054 174.9126 132 A 4.3797 8.4338 127.4714 52.3086 19.3901 176.7927 133 V 5.0511 8.3824 113.4646 59.7650 36.4333 174.9479 134 F 4.7885 8.9598 124.1537 56.8866 43.2861 172.6346 135 N 4.7923 8.1198 124.9676 50.2661 39.7129 173.1679 136 P 3.6811 0.0000 0.0000 63.3605 31.5777 177.3732 137 W 3.8317 8.3897 119.8001 58.9521 29.3143 176.3468 138 H 4.8037 7.5460 114.9689 54.4500 29.6269 174.3689 139 L 4.4902 7.9918 120.0520 53.8874 42.7715 176.3412 140 E 4.6026 8.4362 120.5065 55.8977 30.8502 174.9143 141 H 4.5519 8.7785 118.6130 57.7099 31.0867 174.3547 142 H 3.7487 9.1614 109.5344 57.5631 26.2956 174.7378 143 H 3.9793 8.2148 128.0564 56.6624 28.1032 175.4254 *144 H 4.5315 8.5424 115.0355 55.2512 28.5027 169.2654 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 1 M 8.06 5.55 0.00 2.48 2.04 0.00 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.51 0.00 2 I 8.88 4.86 2.04 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 1.24 1.05 1.26 0.00 0.00 3 L 9.82 5.27 0.00 1.79 1.57 1.05 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.89 4.68 0.00 1.66 1.72 1.13 1.47 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 5 D 8.74 4.70 0.00 2.72 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.70 3.88 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 1.26 0.00 0.00 7 N 8.22 4.45 0.00 2.85 2.99 0.00 0.00 5.96 7.68 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 8 V 8.17 4.09 2.27 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 1.20 0.00 0.00 1.25 0.00 0.00 9 I 7.99 3.77 1.90 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 1.69 1.08 0.98 0.00 0.00 10 S 8.12 4.40 0.00 4.16 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 11 E 8.33 4.05 0.00 2.36 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 2.05 2.44 0.00 12 P 0.00 4.32 0.00 2.11 2.12 0.00 3.90 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 2.07 2.12 0.00 13 L 7.75 4.14 0.00 1.87 1.76 0.95 0.96 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 14 R 7.53 4.28 0.00 1.98 1.92 0.00 3.30 0.00 0.00 3.53 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.94 0.00 15 P 0.00 4.13 0.00 2.06 2.07 0.00 3.66 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 2.06 2.12 0.00 16 Q 7.48 4.56 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.84 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 17 P 0.00 4.31 0.00 2.22 2.40 0.00 3.93 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 2.00 2.09 0.00 18 N 9.41 4.17 0.00 2.86 2.55 0.00 0.00 6.53 8.38 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 19 E 8.81 3.89 0.00 2.26 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 2.36 2.41 0.00 20 R 8.06 3.81 0.00 1.84 2.00 0.00 3.26 0.00 0.00 3.41 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.69 0.00 21 V 8.00 3.38 1.74 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 0.56 0.00 0.00 -0.67 0.00 0.00 22 V 7.54 3.61 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 0.95 0.00 0.00 0.91 0.00 0.00 23 A 8.32 3.98 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 24 W 7.95 4.13 0.00 3.39 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 25 L 7.89 3.70 0.00 1.83 1.66 0.99 1.21 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 26 D 7.94 4.47 0.00 2.77 2.65 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 0.00 0.00 0.00 0.00 27 S 7.15 4.37 0.00 3.89 3.88 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 28 L 6.67 4.42 0.00 1.51 1.31 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.51 4.16 1.78 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 1.21 0.80 0.86 0.00 0.00 30 L 7.93 3.47 0.00 1.51 1.44 0.27 0.74 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 31 E 7.94 3.88 0.00 1.89 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 0.00 2.25 2.28 0.00 32 D 8.51 4.70 0.00 2.61 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 33 V 7.79 4.73 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 1.10 0.00 0.00 0.86 0.00 0.00 34 Y 9.59 5.20 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 35 L 8.89 5.10 0.00 1.47 1.40 -0.08 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.60 4.88 0.00 3.96 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 37 A 8.97 4.01 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 38 I 7.88 3.64 1.97 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.89 1.01 0.00 0.00 39 T 7.85 3.87 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 1.22 0.00 0.00 40 V 8.10 3.49 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 0.98 0.00 0.00 0.92 0.00 0.00 41 A 8.32 3.96 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 42 E 8.32 3.91 0.00 2.19 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 2.36 2.40 0.00 43 M 8.21 4.03 0.00 2.03 2.22 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 44 R 8.54 3.94 0.00 1.97 1.99 0.00 3.27 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 45 L 8.48 4.15 0.00 1.73 1.87 0.93 0.89 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 46 G 8.22 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.77 3.75 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 1.13 0.00 0.00 1.00 0.00 0.00 48 A 7.62 3.99 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 49 L 7.70 4.19 0.00 1.66 1.73 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.43 4.27 0.00 1.72 1.61 0.94 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.28 4.06 0.00 1.64 1.61 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.81 4.32 0.00 2.71 2.78 0.00 0.00 6.81 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 53 G 7.91 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 54 K 8.50 4.00 0.00 1.81 1.82 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.44 7.81 55 K 8.13 3.80 0.00 1.87 1.82 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.53 7.81 56 K 8.02 4.05 0.00 1.87 1.79 0.00 1.90 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.55 7.81 57 N 7.72 4.35 0.00 3.09 2.85 0.00 0.00 6.55 7.56 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 58 V 7.78 3.53 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 0.93 0.00 0.00 0.97 0.00 0.00 59 L 7.89 3.95 0.00 1.92 1.74 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 60 H 8.28 4.12 0.00 3.36 3.48 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.24 3.91 0.00 2.24 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 2.32 2.38 0.00 62 R 8.50 3.84 0.00 1.82 2.01 0.00 3.37 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 1.82 1.82 0.00 63 M 8.45 3.97 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.60 0.00 64 E 7.96 4.21 0.00 1.95 1.96 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 2.26 2.31 0.00 65 Q 8.78 4.49 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 66 S 8.25 4.63 0.00 3.95 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 67 I 8.05 3.55 2.07 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 1.47 0.74 1.01 0.00 0.00 68 L 6.06 3.94 0.00 1.78 1.74 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.42 0.00 2.19 2.13 0.00 3.80 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.19 0.00 70 L 8.48 4.02 0.00 1.71 1.33 0.93 0.69 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 71 F 8.82 4.58 0.00 3.08 2.97 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 72 A 7.93 4.13 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 73 G 9.15 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 74 R 8.36 4.83 0.00 1.60 0.95 0.00 2.21 0.00 0.00 2.80 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.31 0.00 75 I 8.02 4.95 1.93 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 1.39 0.91 0.95 0.00 0.00 76 L 9.31 4.54 0.00 1.65 1.68 0.88 0.84 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 77 P 0.00 4.62 0.00 2.10 2.08 0.00 3.80 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 2.01 1.99 0.00 78 F 8.66 4.38 0.00 2.89 2.89 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 79 D 7.59 4.66 0.00 2.78 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 80 E 8.58 3.96 0.00 1.98 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 2.36 2.36 0.00 81 P 0.00 4.13 0.00 2.22 2.03 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 82 V 8.00 3.42 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 0.87 0.00 0.00 0.88 0.00 0.00 83 A 7.36 3.93 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 84 A 7.98 3.99 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 85 I 7.69 3.66 2.06 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 1.50 0.65 0.93 0.00 0.00 86 Y 8.40 4.24 0.00 3.38 3.35 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 87 A 8.65 3.94 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 88 Q 7.65 4.04 0.00 2.28 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.64 0.00 0.00 0.00 0.00 0.00 2.29 2.55 0.00 89 I 7.94 3.70 1.83 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.01 0.88 0.00 0.00 90 R 7.60 3.94 0.00 1.48 1.72 0.00 2.87 0.00 0.00 2.60 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.08 0.00 91 S 7.66 4.09 0.00 4.00 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 92 Y 8.40 3.91 0.00 2.96 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 93 A 8.13 3.95 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 94 K 7.96 3.85 0.00 1.78 1.91 0.00 1.58 0.00 0.00 1.66 0.00 0.00 3.12 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.39 7.81 95 T 7.52 4.37 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 1.23 0.00 0.00 96 H 7.88 4.51 0.00 3.03 3.12 0.00 5.83 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 G 7.78 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 98 K 8.49 3.83 0.00 1.69 1.65 0.00 1.70 0.00 0.00 1.59 0.00 0.00 3.09 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.44 7.81 99 E 8.49 4.28 0.00 1.91 1.76 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 2.20 2.25 0.00 100 I 7.79 4.34 1.72 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 1.18 0.64 0.69 0.00 0.00 101 A 8.38 4.07 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 0.00 102 A 8.45 3.72 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 0.00 103 A 7.80 3.72 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 0.00 104 D 8.04 4.50 0.00 2.58 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 0.00 0.00 0.00 0.00 105 G 8.06 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 0.00 106 Y 8.04 4.70 0.00 3.14 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 0.00 107 I 7.97 3.87 2.23 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.71 1.14 0.00 0.00 108 A 8.63 4.32 1.56 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 0.00 109 A 8.78 4.05 1.77 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 0.00 110 T 8.71 3.80 4.58 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 1.31 0.00 0.00 111 A 8.53 3.91 1.44 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 0.00 0.00 112 K 8.72 3.74 0.00 1.82 2.04 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 113 Q 7.49 4.22 0.00 2.07 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 7.18 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 114 H 7.56 4.64 0.00 2.96 3.18 0.00 5.85 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.63 3.65 0.00 3.89 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 0.00 116 M 7.98 4.52 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.41 0.00 117 T 8.25 4.75 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 1.31 0.00 0.00 118 V 8.52 4.36 1.75 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 0.14 0.00 0.00 0.83 0.00 0.00 119 A 8.98 5.09 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 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.33 4.76 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 1.13 0.00 0.00 121 R 8.87 4.06 0.00 0.67 1.45 0.00 2.21 0.00 0.00 2.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.78 0.00 122 D 7.76 4.70 0.00 2.64 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 0.00 123 T 8.01 4.53 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 1.21 0.00 0.00 124 G 8.22 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 0.00 125 S 7.87 4.48 0.00 3.89 3.62 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 F 8.27 4.06 0.00 3.33 3.25 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 0.00 127 F 8.70 4.03 0.00 3.37 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 0.00 128 A 7.24 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.44 4.42 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 130 D 7.88 4.53 0.00 2.75 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 0.00 131 V 7.03 4.45 2.26 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 0.87 0.00 0.00 1.06 0.00 0.00 132 A 8.43 4.38 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 0.00 133 V 8.38 5.05 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 0.95 0.00 0.00 1.05 0.00 0.00 134 F 8.96 4.79 0.00 3.05 2.79 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 0.00 135 N 8.12 4.79 0.00 2.56 2.34 0.00 0.00 7.44 7.71 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 0.00 136 P 0.00 3.68 0.00 1.83 0.97 0.00 3.69 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 137 W 8.39 3.83 0.00 3.60 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 0.00 138 H 7.55 4.80 0.00 3.15 3.14 0.00 5.64 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.99 4.49 0.00 1.54 1.45 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 140 E 8.44 4.60 0.00 2.03 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 2.58 2.43 0.00 141 H 8.78 4.55 0.00 3.12 3.26 0.00 5.84 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 H 9.16 3.75 0.00 3.20 3.35 0.00 5.87 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 H 8.21 3.98 0.00 3.37 3.40 0.00 5.75 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *144 H 8.54 4.53 0.00 2.67 2.88 0.00 5.87 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.