NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.1608 8.0433 122.4680 55.1782 44.0756 178.9436 4 S 3.6251 7.8225 113.1093 60.5637 63.1300 173.9569 5 Q 3.4271 8.5443 122.1606 59.0014 29.9626 177.8639 6 E 3.9024 7.2924 113.5782 57.4034 29.1348 178.6142 *8 I 3.9223 7.8588 121.6759 61.2781 39.4086 177.7823 9 K 3.2238 8.1643 121.0615 59.1586 31.9592 178.5116 10 K 3.7156 7.4994 119.6069 59.3018 31.8787 178.6795 11 W 4.6070 7.4107 119.7806 59.3576 29.1980 178.2079 12 L 3.9472 8.0402 118.8520 58.1407 40.6087 179.4985 13 D 4.3993 7.9924 118.4713 57.3246 40.4164 178.6769 14 E 4.0504 8.1810 118.8699 58.5349 29.2436 178.0929 15 E 4.4358 7.7861 116.2740 55.8166 30.1548 177.0314 16 G 4.0862 7.7059 107.1874 45.1822 0.0000 174.8486 17 F 4.2559 8.3608 118.6847 60.2713 39.5964 174.3174 18 L 3.8005 7.6905 124.4331 55.9916 41.6687 176.1324 19 R 4.1363 9.0490 127.8313 58.5024 30.8001 176.2428 *21 E 4.7517 7.9801 117.3638 56.2123 30.8351 175.2785 22 V 4.5310 8.3917 123.5416 59.2770 34.5328 173.2121 23 P 4.1089 0.0000 0.0000 63.2551 31.8228 175.3647 24 D 4.5002 8.4077 121.6730 52.6584 43.0760 175.5104 25 E 4.0292 8.9224 127.2203 58.9586 29.9208 177.7001 26 N 4.8268 8.7962 115.4649 52.6001 38.7874 173.7726 27 A 4.9956 7.5962 118.7033 50.4264 21.8855 177.4445 28 R 4.2283 8.8394 121.5346 58.9880 30.6783 176.6731 29 F 4.8839 7.5125 111.4501 56.0867 42.4377 173.1109 30 H 4.5261 8.2938 116.3977 56.1038 31.5701 171.5375 31 Y 5.3054 8.8598 124.7868 56.6681 40.4502 174.9129 32 V 4.8007 8.5442 122.0982 61.3213 34.0495 174.4221 33 V 4.8318 9.3019 128.1768 61.3819 34.4536 174.0838 34 N 5.5329 8.5095 123.9076 50.4719 38.3059 171.7780 35 Y 4.3221 7.6226 121.0450 54.3660 41.6786 174.4801 36 P 3.6597 0.0000 0.0000 61.6049 30.7160 177.5706 37 E 3.9985 8.7056 113.0123 58.9806 29.6771 177.5467 38 D 4.7891 7.7551 115.2681 53.7308 42.1105 175.3355 39 H 4.5387 7.4700 121.0408 55.8120 31.1919 173.9598 40 V 4.9459 7.9226 123.8308 61.2503 33.5519 174.6582 41 I 4.7709 8.8188 127.3027 59.6020 41.8685 173.9213 42 D 5.2796 9.1424 124.7463 52.8157 43.4214 175.2922 43 I 4.7603 8.6603 125.6127 59.9888 38.4855 175.0959 44 I 4.4048 8.8758 127.9037 59.2393 41.7326 174.3735 45 Q 4.4383 7.2730 127.6280 53.5676 30.3917 172.9428 46 P 4.3896 0.0000 0.0000 63.0024 32.1657 177.2890 47 A 3.8645 8.5631 126.9513 55.5794 18.2982 179.2138 48 G 3.8664 7.9687 100.6263 45.5973 0.0000 173.0830 49 K 4.4230 7.5651 119.8338 54.7156 33.2116 176.2065 50 D 4.5509 8.5735 123.8470 55.3634 42.2920 176.1538 51 D 3.5023 7.1826 117.9150 51.1189 38.5200 174.9856 *53 I 4.3097 7.3685 113.2948 61.3537 40.3082 175.7464 54 L 5.0115 9.4640 126.3163 53.4408 44.8054 175.0173 55 I 4.9515 9.0285 127.1298 59.7670 39.2073 174.3230 56 A 5.2448 9.0609 129.5411 50.1141 22.4927 174.5539 57 C 4.9172 8.9348 120.8472 57.6040 34.2917 172.5543 58 A 4.6896 8.5110 128.1499 51.3613 19.9848 176.4484 59 T 4.3705 8.0990 116.8317 61.9167 72.7482 173.0937 60 S 4.8034 8.5136 122.6416 56.8686 64.3767 174.0901 61 V 3.9287 9.1267 127.0752 62.5662 31.5643 176.0524 62 S 4.2378 8.9836 123.1891 57.9014 63.3017 172.4464 63 P 4.3088 0.0000 0.0000 65.8796 31.2224 177.1594 64 E 4.5472 7.1396 114.4930 54.4740 29.0771 175.8537 65 H 4.8186 7.5470 112.0172 56.1062 35.3940 175.6011 66 Q 4.3072 7.7851 117.6513 56.3130 29.2313 177.5169 67 A 4.1201 7.7778 122.3750 54.6572 17.9233 179.4850 68 G 2.8496 7.4963 103.7926 47.6627 0.0000 174.9131 69 I 3.7131 6.0546 116.4647 61.1522 38.1634 177.4454 70 R 3.9835 7.4519 118.1613 60.0349 30.0792 178.0365 71 A 4.0797 7.6197 119.1839 54.2228 18.7769 178.3708 72 L 4.2198 6.7543 116.6321 54.8969 43.5956 178.1617 73 S 4.5988 8.1140 117.5040 58.3438 62.7014 175.7066 *75 E 4.2972 9.1316 117.5654 56.2026 30.8301 177.4730 76 K 3.9895 7.7072 118.3219 59.5264 32.1053 179.0888 77 R 4.0314 8.4323 118.7514 59.6829 30.0605 179.1379 78 T 3.9290 7.9916 115.0717 66.5727 68.3606 176.0442 79 E 4.1983 8.7083 121.6212 59.4194 29.6209 178.7684 80 F 4.3648 8.1887 120.7052 61.2637 39.4856 177.4118 81 I 3.5259 7.9147 119.5871 63.9913 36.7399 178.5042 82 W 4.0130 8.1355 119.9551 59.4944 28.9833 178.5202 83 K 4.1487 8.0108 120.1192 59.4725 31.7743 179.1682 84 V 3.4795 7.5743 119.1697 64.2131 31.3050 178.6293 85 R 3.9791 7.6253 119.0960 58.9932 29.7180 178.7868 86 F 4.6575 8.1754 117.2262 60.7780 39.1237 177.6831 87 T 4.0838 7.9108 115.2451 66.5943 68.3355 176.4845 88 L 3.6927 7.5580 120.1789 57.8230 41.3761 178.7027 89 N 4.7915 7.6324 113.0082 54.7649 38.9064 175.7102 90 R 4.5522 8.0769 117.1840 56.7514 30.9925 176.2839 91 F 4.4438 8.2959 116.9797 56.2721 39.6893 175.7444 92 G 4.0951 8.2058 108.0949 46.7148 0.0000 173.9618 93 V 4.7247 7.5082 108.7320 59.4962 36.4007 176.4176 94 D 5.0556 8.9925 123.5521 54.0033 42.3287 175.5467 95 F 5.5606 8.2191 115.6478 55.6296 41.7907 173.3290 96 Q 4.4107 9.2983 119.8688 54.4744 32.3617 173.2528 97 L 4.8763 8.6214 126.0623 53.3501 43.3731 176.1747 98 D 4.8096 9.4368 125.5908 52.9551 41.5330 173.8722 99 H 5.1519 8.2520 118.9317 51.3751 28.4412 172.5308 100 P 3.9896 0.0000 0.0000 66.0237 31.3958 177.3975 101 E 4.6149 7.6265 116.3691 56.2199 30.3218 176.7097 102 N 4.3130 8.1374 110.8359 54.1456 36.8465 175.2819 103 V 4.1064 7.0946 119.7745 60.3852 31.7060 174.1334 104 L 4.2108 8.6271 129.0217 56.0271 42.2544 176.0178 105 N 4.8739 10.5828 126.0746 54.8340 39.9676 174.6538 106 S 5.1784 7.7111 111.0241 57.8129 66.6765 172.4268 107 Y 5.3705 8.7173 118.7863 55.3624 41.5831 173.4860 108 L 5.1275 9.1675 124.9281 53.3225 44.8498 174.8191 109 V 4.8755 8.4799 126.3086 61.5413 33.9106 174.2978 110 T 5.7068 9.2155 121.4255 59.9049 71.7482 171.5022 111 D 5.0003 8.2890 121.0164 53.4991 44.4754 173.7680 112 E 5.6638 8.7878 122.2994 53.9528 33.1774 175.5862 113 I 4.7228 7.9193 120.9843 59.9910 40.7612 175.1840 114 F 4.5654 9.2188 126.2103 56.4295 39.9959 176.8508 115 F 4.3259 9.0148 123.6097 60.7216 39.1387 177.3170 116 D 4.4700 8.7738 119.3272 56.6738 40.9641 177.0478 117 G 4.2040 8.7861 105.1893 44.8405 0.0000 172.4201 118 L 4.2487 7.7779 122.1869 54.7538 42.7749 176.7176 119 S 4.3782 7.8954 118.1523 56.2359 66.3019 176.8545 120 K 2.6174 6.6339 122.6467 59.0965 31.6303 178.0788 121 D 4.1108 7.5740 117.7610 57.3002 41.0596 178.1244 122 R 3.7953 7.5483 118.4149 59.2722 30.3047 177.8819 123 L 3.9620 8.2736 120.3835 58.5861 42.0965 179.1543 124 I 3.6628 7.7859 119.5695 64.3631 36.9216 178.6638 125 S 4.1396 7.8177 116.1286 61.5877 62.6843 176.5506 126 S 4.1660 8.1307 115.8110 61.5961 62.2446 176.3433 127 I 3.8719 7.7385 121.9527 64.4822 36.8563 178.6230 128 K 4.4552 8.3358 119.1802 59.1265 31.8505 179.0119 129 N 4.5155 8.4369 117.8923 56.5337 38.9558 177.1726 130 V 3.6568 8.1006 119.7946 65.7978 31.6094 177.9001 131 F 4.0928 8.3183 120.0557 61.4639 39.3712 177.2832 132 R 3.5757 8.2642 117.5177 59.0179 29.5364 179.0165 133 A 2.0000 7.5741 120.5922 54.3839 18.1494 179.9220 134 K 3.9348 7.3016 115.7256 59.7466 32.5669 178.8480 135 L 3.3644 7.2048 121.3207 57.8510 41.9087 178.5849 136 Q 4.2280 7.2191 116.7619 58.6454 28.5716 178.2433 137 V 3.6973 6.7280 117.1008 62.9293 32.0624 176.0900 *139 W 4.9804 7.9173 114.8652 56.3471 30.6818 177.6455 *141 I 4.2933 7.7980 120.4275 61.7280 38.8824 178.4085 142 Q 4.0514 8.1631 118.6506 58.8989 28.9001 177.9757 143 E 3.9365 8.2357 117.8208 59.1867 29.8391 178.1260 144 R 3.7045 7.7792 117.5761 58.8528 30.2171 176.8085 145 F 4.6740 7.8419 113.5249 56.6698 39.3497 176.4054 146 G 4.1679 8.4570 116.4361 45.8871 0.0000 173.7383 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 L 8.04 4.16 0.00 1.66 1.64 0.82 0.62 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 4 S 7.82 3.63 0.00 3.26 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 5 Q 8.54 3.43 0.00 1.38 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 7.14 0.00 0.00 0.00 0.00 0.00 2.07 1.26 0.00 6 E 7.29 3.90 0.00 1.92 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 0.00 2.18 2.31 0.00 *8 I 7.86 3.92 1.97 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.75 1.22 0.00 0.00 9 K 8.16 3.22 0.00 1.61 1.81 0.00 1.11 0.00 0.00 1.14 0.00 0.00 3.08 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.29 7.81 10 K 7.50 3.72 0.00 1.71 1.36 0.00 1.55 0.00 0.00 1.42 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.40 7.81 11 W 7.41 4.61 0.00 3.41 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 12 L 8.04 3.95 0.00 1.59 1.87 0.96 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 13 D 7.99 4.40 0.00 2.89 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 14 E 8.18 4.05 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.66 0.00 15 E 7.79 4.44 0.00 1.33 1.58 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 2.17 1.95 0.00 16 G 7.71 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 17 F 8.36 4.26 0.00 3.09 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 18 L 7.69 3.80 0.00 1.59 1.80 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 19 R 9.05 4.14 0.00 1.87 2.07 0.00 3.50 0.00 0.00 3.15 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 *21 E 7.98 4.75 0.00 2.40 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 0.00 2.26 2.45 0.00 22 V 8.39 4.53 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 0.56 0.00 0.00 0.89 0.00 0.00 23 P 0.00 4.11 0.00 2.04 2.06 0.00 3.63 0.00 0.00 3.59 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 24 D 8.41 4.50 0.00 2.53 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 25 E 8.92 4.03 0.00 1.98 1.99 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 2.30 2.27 0.00 26 N 8.80 4.83 0.00 2.81 2.77 0.00 0.00 6.47 8.73 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 27 A 7.60 5.00 1.20 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 0.00 0.00 28 R 8.84 4.23 0.00 1.85 2.14 0.00 3.33 0.00 0.00 3.50 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.97 0.00 29 F 7.51 4.88 0.00 2.64 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 30 H 8.29 4.53 0.00 3.06 3.26 0.00 5.65 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 8.86 5.31 0.00 3.11 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 32 V 8.54 4.80 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 1.09 0.00 0.00 1.02 0.00 0.00 33 V 9.30 4.83 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 1.02 0.00 0.00 1.11 0.00 0.00 34 N 8.51 5.53 0.00 2.60 2.79 0.00 0.00 6.63 7.14 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 35 Y 7.62 4.32 0.00 1.66 2.34 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 36 P 0.00 3.66 0.00 1.85 1.30 0.00 2.61 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 1.60 1.18 0.00 37 E 8.71 4.00 0.00 2.05 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 2.22 2.29 0.00 38 D 7.76 4.79 0.00 2.62 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 39 H 7.47 4.54 0.00 3.20 2.97 0.00 5.73 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 7.92 4.95 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 0.83 0.00 0.00 0.97 0.00 0.00 41 I 8.82 4.77 1.95 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 1.29 0.88 1.09 0.00 0.00 42 D 9.14 5.28 0.00 2.50 2.43 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 43 I 8.66 4.76 2.14 0.00 0.00 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 1.40 1.28 1.13 0.00 0.00 44 I 8.88 4.40 1.67 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 0.52 0.70 0.72 0.00 0.00 45 Q 7.27 4.44 0.00 1.84 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 46 P 0.00 4.39 0.00 2.01 1.90 0.00 3.51 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 47 A 8.56 3.86 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 48 G 7.97 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 49 K 7.57 4.42 0.00 1.60 1.57 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.23 1.30 7.81 50 D 8.57 4.55 0.00 2.61 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 51 D 7.18 3.50 0.00 2.58 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.37 4.31 1.97 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.67 1.37 0.00 0.00 54 L 9.46 5.01 0.00 1.68 1.53 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 55 I 9.03 4.95 1.94 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 1.36 1.22 1.00 0.00 0.00 56 A 9.06 5.24 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 57 C 8.93 4.92 0.00 3.06 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 58 A 8.51 4.69 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.10 4.37 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 0.96 0.00 0.00 60 S 8.51 4.80 0.00 3.72 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 61 V 9.13 3.93 2.29 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 0.85 0.00 0.00 1.15 0.00 0.00 62 S 8.98 4.24 0.00 3.98 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 63 P 0.00 4.31 0.00 2.21 2.36 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 64 E 7.14 4.55 0.00 2.01 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 2.21 2.24 0.00 65 H 7.55 4.82 0.00 3.30 3.27 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 7.79 4.31 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.54 0.00 67 A 7.78 4.12 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 68 G 7.50 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 0.00 0.00 0.00 69 I 6.05 3.71 1.59 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 1.43 0.82 0.54 0.00 0.00 70 R 7.45 3.98 0.00 1.89 1.92 0.00 3.19 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 71 A 7.62 4.08 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 72 L 6.75 4.22 0.00 1.86 1.67 0.99 0.99 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 73 S 8.11 4.60 0.00 4.13 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 *75 E 9.13 4.30 0.00 2.17 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 0.00 2.34 2.42 0.00 76 K 7.71 3.99 0.00 1.94 1.93 0.00 1.56 0.00 0.00 1.68 0.00 0.00 3.33 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.59 7.81 77 R 8.43 4.03 0.00 1.94 2.21 0.00 3.20 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.01 0.00 78 T 7.99 3.93 4.52 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 1.38 0.00 0.00 79 E 8.71 4.20 0.00 2.30 2.29 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 2.45 2.45 0.00 80 F 8.19 4.36 0.00 3.14 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 81 I 7.91 3.53 1.77 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 1.79 0.73 0.56 0.00 0.00 82 W 8.14 4.01 0.00 3.46 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.01 4.15 0.00 2.08 1.88 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.54 7.81 84 V 7.57 3.48 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 0.32 0.00 0.00 0.49 0.00 0.00 85 R 7.63 3.98 0.00 1.92 1.89 0.00 2.83 0.00 0.00 2.94 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 86 F 8.18 4.66 0.00 3.09 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 87 T 7.91 4.08 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 1.25 0.00 0.00 88 L 7.56 3.69 0.00 0.59 0.29 0.46 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 89 N 7.63 4.79 0.00 3.13 3.03 0.00 0.00 7.15 9.00 0.00 0.00 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 R 8.08 4.55 0.00 2.07 1.84 0.00 3.35 0.00 0.00 3.19 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.92 0.00 91 F 8.30 4.44 0.00 3.04 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 92 G 8.21 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 7.51 4.72 2.30 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 0.94 0.00 0.00 1.01 0.00 0.00 94 D 8.99 5.06 0.00 2.68 2.60 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 95 F 8.22 5.56 0.00 3.11 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 96 Q 9.30 4.41 0.00 2.06 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.81 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 97 L 8.62 4.88 0.00 1.36 1.38 0.78 1.08 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 98 D 9.44 4.81 0.00 2.83 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 H 8.25 5.15 0.00 3.16 3.37 0.00 5.68 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 0.00 100 P 0.00 3.99 0.00 2.06 2.09 0.00 3.93 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 2.04 2.17 0.00 101 E 7.63 4.61 0.00 1.94 1.87 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 2.26 2.21 0.00 102 N 8.14 4.31 0.00 2.88 2.96 0.00 0.00 6.57 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 0.00 103 V 7.09 4.11 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 0.93 0.00 0.00 0.95 0.00 0.00 104 L 8.63 4.21 0.00 1.85 1.79 0.94 1.08 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 0.00 105 N 10.58 4.87 0.00 2.88 2.94 0.00 0.00 6.60 7.51 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 0.00 106 S 7.71 5.18 0.00 4.02 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 0.00 107 Y 8.72 5.37 0.00 3.04 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 0.00 108 L 9.17 5.13 0.00 1.69 1.59 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.48 4.88 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.01 0.00 0.00 110 T 9.22 5.71 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 1.31 0.00 0.00 111 D 8.29 5.00 0.00 2.88 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.79 5.66 0.00 1.85 1.67 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 2.14 2.20 0.00 113 I 7.92 4.72 2.01 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 1.44 0.67 1.06 0.00 0.00 114 F 9.22 4.57 0.00 3.20 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 0.00 115 F 9.01 4.33 0.00 3.16 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 0.00 116 D 8.77 4.47 0.00 2.79 2.82 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 0.00 117 G 8.79 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 0.00 0.00 0.00 0.00 118 L 7.78 4.25 0.00 1.74 1.69 1.15 0.97 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 0.00 119 S 7.90 4.38 0.00 3.81 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 0.00 120 K 6.63 2.62 0.00 0.79 1.07 0.00 1.35 0.00 0.00 1.43 0.00 0.00 2.77 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.03 0.83 7.81 121 D 7.57 4.11 0.00 2.65 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 0.00 122 R 7.55 3.80 0.00 1.92 2.09 0.00 3.24 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.71 0.00 123 L 8.27 3.96 0.00 1.88 1.74 1.09 1.47 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 0.00 124 I 7.79 3.66 1.69 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.69 0.69 0.00 0.00 125 S 7.82 4.14 0.00 3.95 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 0.00 126 S 8.13 4.17 0.00 3.97 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 I 7.74 3.87 2.15 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.28 1.08 0.00 0.00 128 K 8.34 4.46 0.00 2.05 2.06 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.57 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.24 1.65 7.81 129 N 8.44 4.52 0.00 3.03 3.05 0.00 0.00 6.69 7.27 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 0.00 130 V 8.10 3.66 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 1.05 0.00 0.00 1.02 0.00 0.00 131 F 8.32 4.09 0.00 3.40 3.41 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 0.00 132 R 8.26 3.58 0.00 2.20 2.15 0.00 3.36 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.17 0.00 133 A 7.57 2.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 K 7.30 3.93 0.00 1.95 2.05 0.00 1.43 0.00 0.00 1.54 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.10 7.81 135 L 7.20 3.36 0.00 0.27 0.93 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 7.22 4.23 0.00 1.89 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.40 0.00 0.00 0.00 0.00 0.00 2.46 2.79 0.00 137 V 6.73 3.70 1.46 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 -0.06 0.00 0.00 0.50 0.00 0.00 *139 W 7.92 4.98 0.00 3.54 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 *141 I 7.80 4.29 2.03 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.19 0.97 0.00 0.00 142 Q 8.16 4.05 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.88 0.00 0.00 0.00 0.00 0.00 2.65 2.54 0.00 143 E 8.24 3.94 0.00 1.86 2.22 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 2.30 2.22 0.00 144 R 7.78 3.70 0.00 1.44 1.16 0.00 3.01 0.00 0.00 2.67 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.05 0.00 145 F 7.84 4.67 0.00 2.96 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 G 8.46 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 * Residues marked with a * may have inaccurate shift predictions.