NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.5291 8.0632 120.5621 55.4603 33.8132 173.9936 2 R 4.8615 8.4130 119.7494 52.4786 35.0570 169.0766 3 V 5.6115 8.8175 120.2230 61.1482 35.7994 172.6140 4 V 4.9615 8.7225 123.2941 61.3519 34.0642 173.8769 5 I 5.0431 8.9654 128.9748 59.7323 40.1889 174.6749 6 Q 5.0832 8.6608 124.2684 53.9776 32.7666 175.0255 7 R 4.4194 8.8111 124.0344 56.7302 31.6125 175.4969 8 V 5.3045 8.0759 116.2995 59.5631 36.2635 174.9820 9 K 5.4049 8.8169 116.0783 54.2834 34.7021 176.7039 10 G 4.8208 7.3531 114.2198 44.5658 0.0000 171.6718 11 A 4.9100 7.7397 123.0714 50.9497 22.9943 175.3264 12 I 4.1771 9.0162 125.1510 59.3675 38.3544 173.3918 13 L 4.6426 8.6141 129.1690 54.6964 43.2123 175.6967 14 S 5.3552 9.4243 122.8223 57.1596 67.2735 173.0847 15 V 4.5824 9.4441 113.0242 60.0136 36.3618 174.1667 16 R 3.9006 8.8998 122.9326 56.4619 29.9110 175.7477 *27 L 4.1025 8.3040 124.4485 54.9584 42.8885 175.4484 28 E 4.7158 8.9555 127.2578 54.8418 32.2058 174.4465 29 I 4.7302 8.1958 124.8251 60.0365 38.9310 175.9034 30 I 4.6738 8.3451 116.0434 60.6228 40.0007 174.4635 31 S 4.6261 7.9216 114.5225 58.3106 65.3444 173.8332 32 E 5.4931 8.9363 124.9738 56.3010 32.7697 173.6580 33 I 4.8092 7.9041 113.9087 60.0150 40.8621 174.3636 34 K 4.5161 9.2197 128.0096 56.3913 30.3033 179.9377 35 N 4.3764 8.8388 114.4658 51.2540 39.8461 174.1009 36 G 4.8044 7.0072 109.0817 46.0383 0.0000 171.6555 37 L 5.2895 7.9345 123.2605 52.9011 46.6546 174.9796 38 I 4.9094 8.3095 120.2184 59.4826 41.5274 174.0775 39 C 5.0687 9.0361 125.0460 58.2061 32.2800 173.1479 40 F 5.0253 9.2158 123.7847 56.1561 39.4958 174.0746 41 L 5.1271 8.7108 126.5067 53.2125 44.5498 175.1211 42 G 4.5992 9.2266 113.2433 44.5761 0.0000 171.8425 43 I 4.9333 8.7366 125.3200 60.5204 39.1948 174.1300 44 H 4.2319 9.3931 127.7992 54.8408 30.6684 175.4300 45 K 3.6865 8.0725 128.4196 59.5977 32.5320 177.3528 46 N 4.6510 7.4124 114.6534 52.1328 37.7028 173.6576 47 D 4.8928 7.4912 117.5239 52.8769 43.8658 174.8606 48 T 4.9293 8.9601 112.2154 58.7110 70.5614 174.9462 49 W 4.3756 9.0338 131.2187 60.3346 30.1635 177.8454 50 E 4.0389 7.8687 119.1295 59.6905 28.8577 178.7606 51 D 4.4074 8.2157 118.2777 57.4966 40.9828 178.6071 52 A 3.5144 7.4093 118.5628 55.5942 18.1722 179.6920 53 L 3.6665 7.2213 116.6008 57.6194 41.4822 178.9751 54 Y 3.9180 8.7861 120.9179 61.1717 38.6622 176.8105 55 I 3.8412 8.0641 120.3600 63.5760 36.7817 177.6423 56 I 3.2298 7.3050 123.2809 64.7115 37.7298 177.7627 57 R 3.9340 7.6923 119.1094 59.7461 29.7736 178.6187 58 K 4.1289 7.8088 117.7927 59.4740 32.0805 178.9174 59 C 4.3137 8.5366 115.0807 62.2427 28.5488 173.4255 60 L 4.6199 8.0801 118.0175 56.1772 44.5486 177.5072 61 N 4.5369 8.1122 115.5103 54.5005 38.8414 175.5837 62 L 4.0872 7.9156 120.9139 54.5863 41.9814 176.5602 63 R 4.6859 8.6465 123.5203 56.1763 29.7530 176.0585 64 L 4.9609 8.9493 121.2781 53.9200 44.0495 176.4619 65 W 5.0775 7.9127 117.7200 54.8117 33.1209 173.9844 66 N 4.9534 8.7068 118.7548 53.2199 38.6581 175.5695 67 N 4.6412 8.5204 122.8943 52.5340 39.2300 176.0781 68 D 4.3574 8.8468 126.5403 54.8109 40.9238 174.2356 69 N 4.4758 9.4574 112.0488 55.7723 40.4577 174.5612 70 K 3.9994 8.0066 118.7607 56.8240 32.4026 175.8471 71 T 4.4843 8.5301 114.7226 61.5989 70.4387 174.7206 72 W 3.4819 8.2073 124.2505 58.2147 25.7294 173.3671 73 D 5.0396 7.9246 113.3063 53.4380 43.2770 176.1130 74 K 4.9025 8.7645 117.4541 55.2823 36.6249 175.4427 75 N 5.8437 9.5441 121.6050 50.3749 39.8163 176.0297 76 V 3.1499 9.1106 119.0396 65.1234 30.8021 178.6516 77 K 4.3008 7.8459 119.4037 58.8745 31.9556 178.6415 78 D 4.5195 8.3099 116.2328 55.7341 40.7042 176.9101 79 L 4.0553 6.6436 117.3877 53.6661 42.1196 176.9309 80 N 4.3044 8.2240 115.0911 53.6086 36.8003 173.7082 81 Y 4.7823 6.8784 116.1101 58.4254 38.9305 174.5493 82 E 5.1317 8.7801 118.6721 54.9706 34.0200 175.0923 83 L 5.7062 8.6864 119.4895 52.0995 46.5243 175.7130 84 L 5.5088 7.9698 120.6158 53.0798 45.4837 174.5215 85 I 4.6679 8.3985 126.8056 59.6506 39.5904 174.8196 86 V 4.3621 8.7432 128.2276 60.7902 33.8337 174.6935 87 S 4.6389 8.4294 122.8622 58.4218 63.0713 173.5709 88 Q 4.3721 9.6661 128.7146 54.3470 30.3933 175.0170 89 F 4.6912 8.5166 120.1847 58.0355 38.8204 178.0047 90 T 3.8230 6.9758 111.8819 63.9766 68.7851 176.1640 91 L 3.9088 7.3889 121.7961 56.9166 41.7468 177.5825 92 F 4.9301 8.2499 117.6129 57.0190 39.2615 175.3502 93 G 3.3895 8.4095 111.6602 45.1067 0.0000 173.7649 94 N 4.5090 9.2291 125.7721 53.1993 38.6744 175.2805 95 T 4.3708 8.2555 115.5225 61.9415 69.8867 176.1331 96 K 4.0843 7.7613 121.3789 59.4780 32.1442 177.9541 97 K 4.3824 8.3394 115.3449 55.4958 33.1524 177.1167 98 G 3.7058 7.1258 106.4548 45.7916 0.0000 173.5048 99 N 4.6532 8.3983 117.5240 53.0165 40.4284 174.7827 100 K 4.2126 7.8127 119.3843 53.6276 31.1889 173.7449 101 P 4.6721 0.0000 0.0000 61.8320 31.8883 175.2283 102 D 4.7039 8.0870 117.4736 52.5705 44.0021 176.0896 103 F 5.6910 8.2429 124.0998 56.7972 39.8382 176.9951 104 H 4.3143 8.5986 118.3838 58.0070 29.0815 176.3317 105 L 4.3936 7.9896 118.9315 54.4367 41.6597 175.0861 106 A 4.7854 7.3729 121.7769 49.6209 20.4089 177.3693 107 K 3.7895 8.0825 123.0562 57.3735 32.5050 176.4224 108 E 3.8936 9.1069 125.2517 56.6843 29.6596 175.7212 109 P 4.4371 0.0000 0.0000 66.0065 31.4820 177.4544 110 N 4.1909 7.8660 113.5031 56.9616 37.9830 176.0647 111 E 4.0697 8.5257 124.1301 59.3425 29.9679 179.1576 112 A 4.2259 7.8976 120.7705 55.4865 18.7574 178.2661 113 L 2.9402 8.7579 117.8805 57.7305 41.6267 178.6798 114 I 3.6199 7.7950 116.8081 64.5760 38.3609 177.0412 115 F 4.3574 8.0592 120.9099 62.1376 39.0595 175.9270 116 Y 4.3670 10.2751 117.9718 61.2999 38.5414 177.8628 117 N 3.9728 9.0739 117.0016 56.7325 38.6452 177.2693 118 K 3.8793 8.6838 119.2112 59.7761 32.3196 179.0516 119 I 4.0572 8.1697 120.1670 64.4795 36.9512 178.5022 120 I 3.8201 7.8385 120.8155 64.6096 36.9253 178.1671 121 D 4.4620 8.6253 119.1804 56.3237 40.4693 177.6622 122 E 4.4614 7.9462 119.7323 57.6680 30.1346 177.6094 123 F 3.9345 8.3058 117.7565 60.4294 38.4541 177.4048 124 K 4.2071 8.2059 117.5991 59.4215 31.8517 178.9547 125 K 4.5848 7.5607 117.8192 59.5240 32.0933 177.6327 126 Q 4.4690 7.6294 115.3565 56.8946 29.4151 174.9420 127 Y 4.8898 9.9426 121.5448 57.3652 45.4647 173.6652 128 N 4.6407 8.5957 124.4563 52.8883 40.9994 174.8095 129 D 4.3928 8.3346 126.7577 56.9085 41.9569 177.2999 130 D 4.6946 8.0102 117.7980 55.5885 42.2430 177.8231 131 K 4.5297 8.4236 117.1707 56.7758 31.5828 176.2054 132 I 4.7964 7.4377 120.8337 59.3863 38.6900 174.3308 133 K 4.6202 8.7772 128.7404 54.8582 34.4298 175.2675 134 I 5.0878 8.1358 119.2812 59.2250 40.6038 174.3900 135 G 4.1832 8.6042 108.5759 43.6970 0.0000 172.5195 136 K 4.0383 8.6484 120.7067 55.9603 30.7595 176.5713 137 F 3.7495 9.1192 125.8569 58.4889 40.4855 175.8368 138 G 3.7192 6.6504 109.7397 45.0853 0.0000 173.2576 139 N 4.4441 7.0181 114.1134 52.4557 42.7827 174.7263 140 Y 3.9980 8.8260 122.8641 58.3399 39.3433 175.0405 141 M 4.9395 6.9088 125.2629 53.0737 36.2685 174.2935 142 N 4.3950 8.1371 116.7804 53.6477 41.6137 173.6244 143 I 4.8916 8.3157 127.8912 59.6372 39.7506 174.9947 144 D 4.7981 8.6043 127.5693 53.4028 42.2792 176.0548 145 V 4.7387 8.3467 121.9038 61.5058 34.9033 175.6342 146 T 4.5126 8.5382 123.9045 61.1966 68.0891 171.0606 147 N 4.6234 8.3528 118.8432 53.7099 39.6940 174.0239 148 D 4.0936 8.8965 125.2653 54.9667 41.7478 174.1889 149 G 3.7915 9.0705 119.2184 44.6089 0.0000 172.2766 150 P 4.6722 0.0000 0.0000 60.3612 33.3121 175.8687 151 V 4.4197 8.0247 117.4349 61.7047 34.4341 173.8058 152 T 5.1814 8.7091 124.2576 61.8504 71.3060 173.5893 153 I 4.7405 9.2927 126.8945 59.6348 41.0494 173.8902 154 Y 5.3453 8.4745 124.5032 56.1590 41.8146 174.5155 155 I 4.3391 8.0082 125.4733 59.6299 42.0093 173.5082 156 D 5.0990 8.2168 124.1069 51.9113 44.5556 175.0434 157 T 4.5379 9.6653 110.7400 61.6261 67.7926 174.5993 158 H 4.8514 8.1708 115.5641 56.5209 32.0567 173.8109 159 D 4.5535 8.2175 123.2459 54.6272 40.5855 176.0659 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 5.53 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.00 0.00 2 R 8.41 4.86 0.00 1.46 1.75 0.00 2.30 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 3 V 8.82 5.61 2.13 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 0.75 0.00 0.00 1.08 0.00 0.00 4 V 8.72 4.96 2.35 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 1.22 0.00 0.00 1.07 0.00 0.00 5 I 8.97 5.04 1.92 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 1.23 0.85 1.01 0.00 0.00 6 Q 8.66 5.08 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.97 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 7 R 8.81 4.42 0.00 1.72 1.89 0.00 2.46 0.00 0.00 2.47 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.51 0.00 8 V 8.08 5.30 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 1.09 0.00 0.00 1.03 0.00 0.00 9 K 8.82 5.40 0.00 1.56 1.72 0.00 2.12 0.00 0.00 2.37 0.00 0.00 2.73 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.27 7.81 10 G 7.35 4.82 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 0.00 11 A 7.74 4.91 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 0.00 0.00 12 I 9.02 4.18 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 1.02 0.91 0.00 0.00 13 L 8.61 4.64 0.00 1.73 1.64 0.93 0.85 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 S 9.42 5.36 0.00 3.72 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 15 V 9.44 4.58 2.12 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 0.65 0.00 0.00 0.96 0.00 0.00 16 R 8.90 3.90 0.00 1.88 2.00 0.00 3.32 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 *27 L 8.30 4.10 0.00 1.72 1.66 0.95 1.07 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 28 E 8.96 4.72 0.00 2.11 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 2.24 2.28 0.00 29 I 8.20 4.73 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 1.40 0.73 0.96 0.00 0.00 30 I 8.35 4.67 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 1.11 0.57 0.96 0.00 0.00 31 S 7.92 4.63 0.00 3.87 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 32 E 8.94 5.49 0.00 1.97 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 0.00 2.19 2.25 0.00 33 I 7.90 4.81 2.10 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 1.21 1.12 0.93 0.00 0.00 34 K 9.22 4.52 0.00 1.69 0.82 0.00 1.74 0.00 0.00 1.86 0.00 0.00 2.77 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.52 7.81 35 N 8.84 4.38 0.00 1.87 1.42 0.00 0.00 6.63 7.76 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 36 G 7.01 4.80 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 0.00 0.00 0.00 37 L 7.93 5.29 0.00 1.65 1.58 1.08 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.31 4.91 1.77 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 1.23 1.51 0.99 0.00 0.00 39 C 9.04 5.07 0.00 2.67 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 40 F 9.22 5.03 0.00 2.99 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 41 L 8.71 5.13 0.00 1.95 1.68 1.16 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.23 4.60 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 0.00 0.00 0.00 43 I 8.74 4.93 2.07 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 1.23 1.18 0.93 0.00 0.00 44 H 9.39 4.23 0.00 3.08 3.22 0.00 5.65 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.07 3.69 0.00 1.61 1.78 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.39 7.81 46 N 7.41 4.65 0.00 2.56 2.69 0.00 0.00 6.74 8.06 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 47 D 7.49 4.89 0.00 2.80 2.51 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 0.00 48 T 8.96 4.93 4.38 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 1.27 0.00 0.00 49 W 9.03 4.38 0.00 3.54 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 50 E 7.87 4.04 0.00 2.09 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 2.46 2.59 0.00 51 D 8.22 4.41 0.00 2.97 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 A 7.41 3.51 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.22 3.67 0.00 1.69 1.52 0.91 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 8.79 3.92 0.00 2.93 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 55 I 8.06 3.84 2.07 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 1.64 0.55 1.10 0.00 0.00 56 I 7.30 3.23 1.40 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 1.41 0.47 0.16 0.00 0.00 57 R 7.69 3.93 0.00 1.98 1.74 0.00 2.93 0.00 0.00 2.90 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 58 K 7.81 4.13 0.00 1.86 1.91 0.00 1.65 0.00 0.00 1.30 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.82 1.99 7.81 59 C 8.54 4.31 0.00 3.25 3.31 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 60 L 8.08 4.62 0.00 1.66 1.44 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.11 4.54 0.00 2.87 2.88 0.00 0.00 7.22 7.73 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 62 L 7.92 4.09 0.00 2.07 1.69 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.65 4.69 0.00 1.91 2.21 0.00 3.27 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.84 0.00 64 L 8.95 4.96 0.00 0.58 1.03 0.81 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 65 W 7.91 5.08 0.00 3.52 2.87 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 66 N 8.71 4.95 0.00 2.68 2.89 0.00 0.00 6.82 8.00 0.00 0.00 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 N 8.52 4.64 0.00 2.71 2.84 0.00 0.00 7.17 7.76 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 68 D 8.85 4.36 0.00 2.82 2.44 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 69 N 9.46 4.48 0.00 2.71 2.82 0.00 0.00 6.90 6.68 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 70 K 8.01 4.00 0.00 1.89 1.80 0.00 1.73 0.00 0.00 1.90 0.00 0.00 3.10 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.57 1.46 7.81 71 T 8.53 4.48 4.14 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 1.28 0.00 0.00 72 W 8.21 3.48 0.00 3.45 3.30 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 73 D 7.92 5.04 0.00 2.69 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 74 K 8.76 4.90 0.00 1.91 1.65 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.52 7.81 75 N 9.54 5.84 0.00 3.28 3.18 0.00 0.00 6.58 7.20 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 76 V 9.11 3.15 2.41 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 0.94 0.00 0.00 0.93 0.00 0.00 77 K 7.85 4.30 0.00 2.04 2.10 0.00 2.21 0.00 0.00 1.71 0.00 0.00 3.18 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.94 1.27 7.81 78 D 8.31 4.52 0.00 2.67 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 79 L 6.64 4.06 0.00 0.62 0.13 0.54 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.22 4.30 0.00 2.73 2.92 0.00 0.00 6.92 7.97 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 81 Y 6.88 4.78 0.00 2.80 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 82 E 8.78 5.13 0.00 1.86 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 2.27 2.34 0.00 83 L 8.69 5.71 0.00 1.53 1.39 0.86 0.28 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 84 L 7.97 5.51 0.00 1.64 1.34 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.40 4.67 1.75 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 1.23 0.81 0.86 0.00 0.00 86 V 8.74 4.36 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 0.88 0.00 0.00 0.64 0.00 0.00 87 S 8.43 4.64 0.00 3.27 3.33 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 88 Q 9.67 4.37 0.00 2.24 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.64 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 89 F 8.52 4.69 0.00 3.31 3.29 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 90 T 6.98 3.82 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 0.53 0.00 0.00 91 L 7.39 3.91 0.00 1.29 1.44 0.97 0.69 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 92 F 8.25 4.93 0.00 3.53 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 93 G 8.41 3.39 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 0.00 94 N 9.23 4.51 0.00 2.79 2.64 0.00 0.00 6.46 7.01 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 95 T 8.26 4.37 4.19 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 1.15 0.00 0.00 96 K 7.76 4.08 0.00 1.91 1.89 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.36 7.81 97 K 8.34 4.38 0.00 1.83 1.86 0.00 1.51 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.38 7.81 98 G 7.13 3.71 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 0.00 0.00 0.00 99 N 8.40 4.65 0.00 2.67 2.82 0.00 0.00 6.64 7.61 0.00 0.00 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 K 7.81 4.21 0.00 1.69 1.73 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.42 7.81 101 P 0.00 4.67 0.00 1.62 1.93 0.00 3.33 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.97 0.00 102 D 8.09 4.70 0.00 2.61 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 0.00 0.00 0.00 0.00 103 F 8.24 5.69 0.00 3.20 3.11 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 0.00 104 H 8.60 4.31 0.00 3.13 3.40 0.00 5.88 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.99 4.39 0.00 1.60 1.29 0.97 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.37 4.79 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 K 8.08 3.79 0.00 1.78 1.72 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.35 7.81 108 E 9.11 3.89 0.00 1.97 1.92 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 2.50 2.30 0.00 109 P 0.00 4.44 0.00 2.24 2.26 0.00 3.57 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 2.05 2.01 0.00 110 N 7.87 4.19 0.00 2.74 2.72 0.00 0.00 6.99 7.66 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 0.00 111 E 8.53 4.07 0.00 2.02 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 2.40 2.47 0.00 112 A 7.90 4.23 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 0.00 113 L 8.76 2.94 0.00 1.57 1.66 0.29 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.80 3.62 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 1.52 1.19 1.08 0.00 0.00 115 F 8.06 4.36 0.00 3.54 3.36 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 0.00 116 Y 10.28 4.37 0.00 3.30 3.01 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 0.00 117 N 9.07 3.97 0.00 2.85 2.83 0.00 0.00 7.15 8.17 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 0.00 118 K 8.68 3.88 0.00 1.75 1.55 0.00 1.44 0.00 0.00 1.60 0.00 0.00 3.10 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.63 7.81 119 I 8.17 4.06 2.03 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 1.06 0.97 0.00 0.00 120 I 7.84 3.82 1.79 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 0.81 0.00 0.00 121 D 8.63 4.46 0.00 2.63 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 0.00 122 E 7.95 4.46 0.00 2.40 2.39 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 2.64 2.40 0.00 123 F 8.31 3.93 0.00 3.17 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 0.00 124 K 8.21 4.21 0.00 2.02 1.91 0.00 1.73 0.00 0.00 1.98 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.75 7.81 125 K 7.56 4.58 0.00 1.82 2.16 0.00 1.80 0.00 0.00 1.85 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.54 7.81 126 Q 7.63 4.47 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.53 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 127 Y 9.94 4.89 0.00 2.94 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 0.00 128 N 8.60 4.64 0.00 2.00 2.60 0.00 0.00 6.52 8.49 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 0.00 129 D 8.33 4.39 0.00 2.68 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 0.00 130 D 8.01 4.69 0.00 2.73 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 0.00 131 K 8.42 4.53 0.00 2.00 2.19 0.00 1.93 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.45 1.60 7.81 132 I 7.44 4.80 1.92 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 0.62 0.85 0.00 0.00 133 K 8.78 4.62 0.00 1.89 1.63 0.00 1.46 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.41 7.81 134 I 8.14 5.09 2.03 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 0.87 0.89 0.00 0.00 135 G 8.60 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 0.00 0.00 0.00 136 K 8.65 4.04 0.00 1.79 1.88 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.49 7.81 137 F 9.12 3.75 0.00 3.01 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 0.00 138 G 6.65 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 0.00 139 N 7.02 4.44 0.00 3.01 2.70 0.00 0.00 7.17 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 Y 8.83 4.00 0.00 2.93 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 0.00 141 M 6.91 4.94 0.00 1.73 1.72 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.25 0.00 142 N 8.14 4.39 0.00 2.83 2.63 0.00 0.00 6.70 7.82 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 0.00 143 I 8.32 4.89 1.91 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 1.34 0.81 0.90 0.00 0.00 144 D 8.60 4.80 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 0.00 145 V 8.35 4.74 2.12 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 0.87 0.00 0.00 1.03 0.00 0.00 146 T 8.54 4.51 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 0.00 147 N 8.35 4.62 0.00 2.62 2.82 0.00 0.00 7.16 8.06 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 0.00 148 D 8.90 4.09 0.00 2.85 2.57 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 0.00 149 G 9.07 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 0.00 150 P 0.00 4.67 0.00 2.20 2.07 0.00 3.33 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.91 0.00 151 V 8.02 4.42 2.02 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 1.12 0.00 0.00 0.93 0.00 0.00 152 T 8.71 5.18 4.26 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 1.38 0.00 0.00 153 I 9.29 4.74 1.91 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 0.68 0.94 0.00 0.00 154 Y 8.47 5.35 0.00 2.85 2.78 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 0.00 155 I 8.01 4.34 1.73 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 0.42 0.66 0.00 0.00 156 D 8.22 5.10 0.00 2.44 2.49 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 0.00 157 T 9.67 4.54 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 1.11 0.00 0.00 158 H 8.17 4.85 0.00 3.39 3.39 0.00 5.86 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 8.22 4.55 0.00 2.60 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 * Residues marked with a * may have inaccurate shift predictions.