NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.2846 8.1849 120.6271 53.8287 44.0976 176.7144 3 K 3.7550 7.9244 119.4788 56.2381 32.9227 173.7814 4 Q 4.9343 9.0624 127.0984 54.7789 30.6962 174.3506 5 V 4.7689 8.7154 126.4613 61.1547 35.1730 173.7076 6 E 4.9549 9.1338 126.3586 54.6543 32.0204 174.9317 7 I 4.9033 8.1492 124.6947 59.3509 40.7980 174.4088 8 F 5.3967 9.0972 125.1504 55.9034 41.8384 174.5305 9 T 5.3236 8.6588 112.6412 60.6487 72.0820 172.5968 10 D 4.7003 8.8205 119.7134 53.5912 45.1708 174.4609 11 G 4.4220 8.8670 110.7119 44.6641 0.0000 171.8724 12 S 5.0103 9.1210 115.1593 55.9391 66.5342 172.3415 13 C 5.1249 8.3553 123.8771 58.3224 34.0528 173.8164 14 L 4.2873 9.2029 125.8173 55.9657 41.8214 176.6410 15 G 4.1034 7.3805 105.6870 45.6283 0.0000 172.7706 16 N 5.0433 8.1874 114.0748 52.2904 39.4991 173.0782 17 P 4.6461 0.0000 0.0000 61.4492 33.8771 175.3636 18 G 3.9640 8.2192 106.0918 45.3796 0.0000 170.5715 19 P 4.8947 0.0000 0.0000 62.5009 32.4634 176.4275 20 G 4.3852 9.1567 110.1882 45.7618 0.0000 170.8912 21 G 4.6357 9.0745 106.5275 45.6537 0.0000 171.6396 22 Y 5.5716 8.3747 117.1956 55.1672 42.0329 174.8204 23 G 4.6683 9.4957 106.5670 44.8637 0.0000 171.5062 24 A 5.5244 9.4253 124.6777 50.4390 23.4688 175.0254 25 I 5.1597 9.1470 120.9434 59.6107 41.3967 174.3171 26 L 5.2253 9.2157 127.2187 53.0946 44.1007 175.6173 27 R 5.2112 9.2518 123.0812 54.6528 33.6738 174.5078 28 Y 4.8188 9.4176 124.5156 56.9656 42.6622 174.5789 29 R 3.5450 9.1667 127.3363 57.2931 28.4320 177.1229 30 G 3.9550 8.3149 103.5006 45.2874 0.0000 174.5815 31 R 4.5323 7.7585 119.6165 55.0761 31.5550 175.0211 32 E 5.3676 8.3071 117.2046 54.8682 33.1590 174.4684 33 K 4.6235 9.0771 119.5292 54.9259 35.8947 175.4180 34 T 5.0774 8.0620 119.3507 61.8634 71.7860 173.5072 35 F 5.1972 8.9944 122.4845 56.2183 43.5856 173.8311 36 S 4.9487 9.0012 114.0882 58.6757 65.5389 173.9899 37 A 4.3034 7.1092 121.1003 50.8645 22.4964 175.1847 38 G 4.3390 8.2897 107.4553 44.5293 0.0000 171.5834 39 Y 5.2720 9.2696 121.2944 55.9104 40.4360 177.0199 40 T 3.9107 9.0645 114.2409 64.5576 70.1570 173.9981 41 R 4.5768 7.8498 122.2433 55.5798 32.5074 173.5673 42 T 3.9874 8.5525 123.2572 61.5271 70.9783 172.1874 43 T 4.7870 7.9332 108.3776 58.9784 72.1783 173.9795 44 N 4.2458 8.7249 120.4376 57.0888 38.9572 176.8124 45 N 4.2998 7.8840 117.1994 56.3972 38.4982 177.5005 46 R 3.8688 7.7297 119.0346 59.4291 30.1009 179.0453 47 M 4.0500 8.1843 118.3783 58.1943 32.0607 178.6549 48 A 4.0811 8.1667 121.0654 55.0902 18.5735 179.7447 49 L 3.9093 7.8118 117.2940 58.0515 41.6656 179.2524 50 M 3.7616 8.2215 118.2741 58.4076 32.0554 177.8705 51 A 3.5663 7.9740 120.6042 55.2518 18.5325 179.5676 52 A 3.8962 7.5509 117.8046 55.1304 18.3564 179.8553 53 I 3.5401 7.6801 118.3119 64.4927 36.9967 178.7094 54 V 3.2780 7.5508 117.5555 65.8618 31.4593 177.5111 55 A 3.7587 7.5928 120.3046 55.1317 18.3336 179.6770 56 L 3.8491 7.9031 117.5095 57.8729 41.5202 179.3925 57 E 4.0809 8.1560 116.7981 58.2752 29.4539 178.3391 58 A 4.1734 7.1728 119.8358 52.3685 19.1385 177.5929 59 L 4.0913 7.2221 117.9671 54.7085 42.1509 177.1716 60 K 4.4284 8.4689 121.1882 56.0990 32.5856 175.4770 61 E 4.5700 7.3987 115.6184 54.8975 32.1671 174.2041 62 H 4.5326 8.5748 117.1075 56.4489 29.1069 174.8078 63 C 4.9306 9.0017 119.9524 57.7901 32.7884 172.4810 64 E 4.6992 9.1234 121.6774 55.0705 30.4801 174.4742 65 V 4.5424 8.8588 128.3074 61.2030 34.0630 174.5793 66 I 4.4504 8.2507 129.0882 59.7504 38.4656 174.1407 67 L 4.4198 8.2870 131.1259 53.3860 43.4577 174.8627 68 S 5.7234 8.6434 122.1093 56.1806 64.5895 172.6669 69 T 5.3146 8.4342 120.2934 61.0966 70.6500 173.3495 70 D 5.0780 8.9963 126.0014 53.5424 40.4584 176.7834 71 S 4.3252 8.0621 116.6537 58.5512 63.1589 174.2846 72 Q 3.9269 8.8196 130.6479 58.9982 28.9818 177.2674 73 Y 4.1928 8.0557 120.4226 60.7702 39.0193 177.8661 74 V 3.7965 8.0036 119.2155 65.9793 31.5283 177.7363 75 R 2.5100 7.4701 117.8309 59.1447 29.7722 178.4538 76 Q 3.1903 7.5131 117.6377 58.3361 28.3770 179.2663 77 G 2.6319 7.1777 106.3746 47.4790 0.0000 175.8941 78 I 3.5423 7.2373 121.7427 63.6695 37.2430 177.9533 79 T 4.1376 7.2374 107.2729 62.2528 69.1883 175.1986 80 Q 4.1122 7.1508 117.3734 54.3054 31.8149 176.3105 81 W 3.9427 6.7338 116.0448 56.9173 30.9591 177.1388 82 I 3.4311 7.3378 119.0346 64.4760 37.0603 176.9256 83 H 3.9534 7.8296 116.6789 59.5558 29.8938 176.1932 84 N 4.2914 7.8154 117.3193 56.0607 38.3712 177.1032 85 W 4.2029 7.9445 120.5540 59.8476 28.9231 178.5758 86 K 3.7463 7.5802 115.4301 57.9366 31.5064 178.0792 87 A 4.5297 7.6662 119.6816 51.9686 19.6784 177.5254 88 R 4.4227 7.3948 115.4237 55.4449 30.7668 176.1996 89 G 3.9381 8.3832 104.6194 46.9277 0.0000 174.2147 90 W 3.3535 8.4182 114.5468 57.1480 26.8016 173.7967 91 K 4.7869 7.5045 112.7189 54.8169 36.7627 177.5215 92 T 4.3686 8.7419 110.6677 60.8775 70.7282 175.0189 93 A 4.1078 8.5069 122.7297 54.8690 18.4042 178.0937 94 D 4.7265 8.1308 115.4330 53.6832 40.9244 177.2355 95 K 4.0170 7.7115 115.9273 57.2442 30.2583 175.3728 96 K 4.5669 7.1920 118.4794 53.7092 33.7788 174.4798 97 P 4.4449 0.0000 0.0000 63.1545 31.8930 176.7812 98 V 3.7976 7.9815 115.0662 60.4014 32.3596 175.6653 99 K 4.0206 8.3191 124.1268 57.7461 32.8183 176.3380 100 N 4.5482 9.0837 121.3755 54.4606 36.2637 176.3219 101 V 3.6457 7.5287 122.4641 65.1457 30.5497 177.7253 102 D 4.2235 8.0228 119.0195 56.4571 39.1390 178.4437 103 L 4.0881 7.7640 119.8761 56.6617 41.7999 179.1380 104 W 4.4289 8.2685 119.0698 59.9838 29.0282 178.5968 105 Q 3.3269 8.0425 118.0877 58.5665 27.9710 178.7678 106 R 3.8567 7.5170 118.6420 59.1135 30.0544 178.3223 107 L 3.9875 8.3871 120.7027 58.1866 42.2772 178.2949 108 D 4.6058 8.7199 118.0374 57.5302 40.9621 178.1896 109 A 4.0530 7.9093 119.8696 55.2241 18.7494 179.2249 110 A 4.0915 8.1387 119.3219 55.1661 18.4117 179.8948 111 L 4.1444 8.6022 118.3190 57.7846 41.5414 179.5382 112 G 3.8453 7.9178 103.5101 46.7572 0.0000 174.9408 113 Q 4.2431 7.6130 118.7826 57.3448 29.0913 174.4923 114 H 5.0021 7.7259 115.2629 54.2033 33.8931 172.9394 115 Q 4.3775 8.9855 118.6797 55.2277 29.2102 175.3085 116 I 4.4511 8.1601 125.3085 59.7180 39.0266 175.7473 117 K 4.3741 8.7256 127.5200 54.3080 34.6959 174.9312 118 W 4.4252 8.6954 127.8143 56.0157 30.3131 175.7468 119 E 4.2504 9.2409 126.2586 54.2164 31.4038 175.0719 120 W 5.3276 8.4826 128.4577 55.9372 29.2242 176.9570 121 V 4.0233 8.0009 124.5659 60.8262 33.4011 178.0358 *126 G 3.7611 8.6470 116.2676 46.0442 0.0000 172.2613 127 H 4.8862 7.6675 117.1717 52.7499 31.8816 171.7787 128 P 4.1167 0.0000 0.0000 66.0504 31.2162 178.1924 129 E 3.6793 7.6977 116.0522 59.5545 29.3735 179.1174 130 N 4.4455 7.9876 115.8352 56.5601 38.5776 177.2189 131 E 4.0479 8.7406 120.3255 59.2622 29.4818 179.3863 132 R 4.1072 8.0414 118.9954 59.4244 30.0528 178.3759 133 C 4.2237 8.2769 116.8711 62.7995 28.0971 175.3732 134 D 4.7376 8.1792 120.9629 56.8204 40.6504 178.2953 135 E 3.9680 8.0487 118.6701 59.4595 29.5369 179.2943 136 L 3.9620 7.9948 118.7752 57.6333 41.5789 179.5045 137 A 4.1254 8.4289 121.0374 55.3975 18.4561 179.9243 138 R 3.8643 8.4251 116.7999 59.3859 29.8915 179.2361 139 A 4.0017 8.1771 119.7739 54.8889 18.5245 179.3437 140 A 3.9829 8.1176 119.2117 55.2913 18.2882 179.6168 141 A 4.0334 8.0822 118.4085 55.4722 18.5006 178.9425 142 M 4.3192 7.7652 114.2372 55.8592 33.5174 176.2179 143 N 4.9925 8.0996 117.9187 51.4655 39.3596 172.6049 144 P 4.3897 0.0000 0.0000 63.2702 32.4179 176.8699 145 T 4.4992 8.4195 108.6656 60.7338 70.1979 173.0303 146 L 4.7536 7.2963 121.1095 52.8441 45.4913 174.2366 147 E 4.9744 8.4815 119.6923 54.7022 31.7492 175.6931 148 D 4.7747 8.4992 125.4350 52.7001 39.8233 176.5067 149 T 3.9617 8.3419 114.6115 63.7820 69.0049 176.0849 150 G 3.8268 8.0733 108.5271 45.7287 0.0000 172.7130 151 Y 4.3809 7.9449 122.3735 57.1726 39.4194 175.2531 152 Q 3.9564 8.0290 124.8023 55.9166 29.0407 175.3774 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 L 8.18 4.28 0.00 1.64 1.80 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 3 K 7.92 3.76 0.00 1.62 1.42 0.00 1.33 0.00 0.00 1.90 0.00 0.00 2.23 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.07 1.39 7.81 4 Q 9.06 4.93 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.50 0.00 5 V 8.72 4.77 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 0.98 0.00 0.00 0.77 0.00 0.00 6 E 9.13 4.95 0.00 1.98 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 2.18 2.28 0.00 7 I 8.15 4.90 1.59 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.54 0.82 0.00 0.00 8 F 9.10 5.40 0.00 3.01 2.98 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 0.00 0.00 0.00 9 T 8.66 5.32 4.33 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 1.24 0.00 0.00 10 D 8.82 4.70 0.00 2.84 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 11 G 8.87 4.42 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 0.00 0.00 0.00 12 S 9.12 5.01 0.00 3.88 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 13 C 8.36 5.12 0.00 2.98 2.70 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 14 L 9.20 4.29 0.00 1.64 1.70 0.96 0.71 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 15 G 7.38 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 16 N 8.19 5.04 0.00 2.67 2.68 0.00 0.00 6.85 7.69 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 17 P 0.00 4.65 0.00 1.97 1.92 0.00 3.95 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 2.03 2.19 0.00 18 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 19 P 0.00 4.89 0.00 2.08 2.00 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 20 G 9.16 4.39 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 21 G 9.07 4.64 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 0.00 0.00 0.00 22 Y 8.37 5.57 0.00 3.10 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 9.50 4.67 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 24 A 9.43 5.52 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 25 I 9.15 5.16 2.11 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.83 1.06 0.00 0.00 26 L 9.22 5.23 0.00 1.69 1.65 1.20 0.75 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 27 R 9.25 5.21 0.00 1.83 1.91 0.00 3.37 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.95 0.00 28 Y 9.42 4.82 0.00 2.89 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 29 R 9.17 3.54 0.00 0.91 1.63 0.00 2.87 0.00 0.00 2.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.40 0.00 30 G 8.31 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 31 R 7.76 4.53 0.00 2.09 1.88 0.00 3.11 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 32 E 8.31 5.37 0.00 2.05 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 2.16 2.31 0.00 33 K 9.08 4.62 0.00 1.69 1.36 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.29 1.39 7.81 34 T 8.06 5.08 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 1.20 0.00 0.00 35 F 8.99 5.20 0.00 3.12 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 36 S 9.00 4.95 0.00 3.80 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 37 A 7.11 4.30 0.97 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 38 G 8.29 4.34 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 0.00 39 Y 9.27 5.27 0.00 2.89 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 40 T 9.06 3.91 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 41 R 7.85 4.58 0.00 1.82 1.89 0.00 3.32 0.00 0.00 3.30 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 42 T 8.55 3.99 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 1.15 0.00 0.00 43 T 7.93 4.79 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 0.96 0.00 0.00 44 N 8.72 4.25 0.00 2.83 2.83 0.00 0.00 6.93 6.71 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 45 N 7.88 4.30 0.00 2.36 1.65 0.00 0.00 7.13 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 46 R 7.73 3.87 0.00 1.87 1.84 0.00 3.44 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 47 M 8.18 4.05 0.00 2.32 2.25 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.78 0.00 48 A 8.17 4.08 1.50 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 0.00 0.00 49 L 7.81 3.91 0.00 1.73 1.46 0.21 -0.57 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 50 M 8.22 3.76 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.52 0.00 51 A 7.97 3.57 1.50 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 0.00 0.00 52 A 7.55 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.68 3.54 1.85 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.72 0.84 0.00 0.00 54 V 7.55 3.28 1.63 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 0.44 0.00 0.00 0.56 0.00 0.00 55 A 7.59 3.76 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 56 L 7.90 3.85 0.00 1.68 1.70 0.88 0.62 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 57 E 8.16 4.08 0.00 1.80 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 2.29 2.48 0.00 58 A 7.17 4.17 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.22 4.09 0.00 1.77 1.55 0.56 0.64 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 60 K 8.47 4.43 0.00 1.71 1.81 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.35 7.81 61 E 7.40 4.57 0.00 1.98 1.83 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 0.00 2.10 2.25 0.00 62 H 8.57 4.53 0.00 3.03 3.29 0.00 5.83 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 63 C 9.00 4.93 0.00 2.66 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 64 E 9.12 4.70 0.00 1.97 1.80 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 2.17 2.19 0.00 65 V 8.86 4.54 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.69 0.00 0.00 66 I 8.25 4.45 1.67 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 1.00 0.49 0.75 0.00 0.00 67 L 8.29 4.42 0.00 0.89 0.45 -0.09 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.64 5.72 0.00 4.00 3.44 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 T 8.43 5.31 4.49 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 1.72 0.00 0.00 70 D 9.00 5.08 0.00 2.94 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 71 S 8.06 4.33 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.82 3.93 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 73 Y 8.06 4.19 0.00 3.22 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 74 V 8.00 3.80 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 1.06 0.00 0.00 1.10 0.00 0.00 75 R 7.47 2.51 0.00 0.96 1.42 0.00 2.35 0.00 0.00 2.57 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.50 0.00 76 Q 7.51 3.19 0.00 1.64 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 1.81 2.18 0.00 77 G 7.18 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 0.00 0.00 0.00 78 I 7.24 3.54 1.54 0.00 0.00 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 1.66 -0.27 0.65 0.00 0.00 79 T 7.24 4.14 3.98 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 0.00 0.00 1.03 0.00 0.00 80 Q 7.15 4.11 0.00 0.93 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.77 0.00 0.00 0.00 0.00 0.00 1.91 1.76 0.00 81 W 6.73 3.94 0.00 1.78 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 0.00 0.00 0.00 82 I 7.34 3.43 1.80 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.26 0.83 0.00 0.00 83 H 7.83 3.95 0.00 3.01 3.18 0.00 5.99 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.82 4.29 0.00 2.63 2.75 0.00 0.00 6.96 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 85 W 7.94 4.20 0.00 2.74 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 0.00 0.00 0.00 86 K 7.58 3.75 0.00 1.71 1.82 0.00 1.96 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.37 7.81 87 A 7.67 4.53 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 88 R 7.39 4.42 0.00 1.86 1.90 0.00 3.23 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.86 0.00 89 G 8.38 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 W 8.42 3.35 0.00 3.35 3.17 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 91 K 7.50 4.79 0.00 1.85 1.56 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.30 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.61 1.53 7.81 92 T 8.74 4.37 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 93 A 8.51 4.11 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 94 D 8.13 4.73 0.00 2.72 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 95 K 7.71 4.02 0.00 1.94 1.91 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.54 7.81 96 K 7.19 4.57 0.00 1.91 1.68 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.46 7.81 97 P 0.00 4.44 0.00 2.00 1.98 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 98 V 7.98 3.80 1.50 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 0.33 0.00 0.00 0.38 0.00 0.00 99 K 8.32 4.02 0.00 1.75 1.85 0.00 1.96 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.50 7.81 100 N 9.08 4.55 0.00 3.42 3.03 0.00 0.00 6.86 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 0.00 101 V 7.53 3.65 2.15 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 0.80 0.00 0.00 0.75 0.00 0.00 102 D 8.02 4.22 0.00 2.83 2.92 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 0.00 103 L 7.76 4.09 0.00 1.54 1.56 0.83 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 104 W 8.27 4.43 0.00 3.45 3.63 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 0.00 105 Q 8.04 3.33 0.00 1.78 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 106 R 7.52 3.86 0.00 1.96 2.00 0.00 3.05 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 107 L 8.39 3.99 0.00 1.85 2.06 1.08 1.25 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 0.00 108 D 8.72 4.61 0.00 3.43 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 0.00 109 A 7.91 4.05 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 0.00 110 A 8.14 4.09 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 0.00 111 L 8.60 4.14 0.00 2.01 1.88 1.38 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.92 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 7.61 4.24 0.00 2.06 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.62 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 114 H 7.73 5.00 0.00 2.94 3.37 0.00 5.64 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.99 4.38 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 116 I 8.16 4.45 1.84 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.75 0.23 0.00 0.00 117 K 8.73 4.37 0.00 1.65 1.60 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.23 1.34 7.81 118 W 8.70 4.43 0.00 2.66 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 0.00 0.00 0.00 119 E 9.24 4.25 0.00 1.80 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 2.17 2.22 0.00 120 W 8.48 5.33 0.00 3.25 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 0.00 121 V 8.00 4.02 2.31 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 0.69 0.00 0.00 1.16 0.00 0.00 *126 G 8.65 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 H 7.67 4.89 0.00 3.27 3.20 0.00 5.67 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.12 0.00 2.04 2.07 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.19 0.00 129 E 7.70 3.68 0.00 1.16 1.12 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 1.47 1.97 0.00 130 N 7.99 4.45 0.00 3.03 3.00 0.00 0.00 7.06 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 0.00 131 E 8.74 4.05 0.00 2.15 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 2.50 0.00 132 R 8.04 4.11 0.00 1.99 2.03 0.00 3.07 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 1.61 1.66 0.00 133 C 8.28 4.22 0.00 3.30 3.21 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 0.00 134 D 8.18 4.74 0.00 2.86 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 0.00 135 E 8.05 3.97 0.00 2.25 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 2.34 2.49 0.00 136 L 7.99 3.96 0.00 1.93 1.74 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.43 4.13 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 138 R 8.43 3.86 0.00 1.97 2.00 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.94 0.00 139 A 8.18 4.00 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 0.00 140 A 8.12 3.98 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 0.00 141 A 8.08 4.03 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 0.00 142 M 7.77 4.32 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.68 0.00 143 N 8.10 4.99 0.00 2.57 2.63 0.00 0.00 7.14 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 0.00 144 P 0.00 4.39 0.00 2.24 2.12 0.00 3.74 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 145 T 8.42 4.50 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 1.18 0.00 0.00 146 L 7.30 4.75 0.00 0.91 1.41 0.70 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.48 4.97 0.00 1.95 1.88 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 2.37 2.34 0.00 148 D 8.50 4.77 0.00 2.64 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 T 8.34 3.96 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 1.27 0.00 0.00 150 G 8.07 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 7.94 4.38 0.00 3.07 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 0.00 152 Q 8.03 3.96 0.00 1.85 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.42 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.