NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 Q 4.2672 8.3293 119.6849 55.2902 31.0564 175.5069 6 P 4.0125 0.0000 0.0000 61.9362 31.5140 174.8681 7 L 3.8978 9.6290 126.7065 58.3089 42.8304 179.6131 8 E 4.5650 7.9834 114.5688 57.4031 29.4734 177.4142 9 K 4.1475 8.3284 119.9146 57.9010 32.6523 177.4793 10 I 4.1344 7.4834 118.1393 62.8913 37.9668 175.4738 11 A 3.5753 7.1053 120.5976 49.5928 22.4427 174.2420 12 P 4.5592 0.0000 0.0000 62.1818 29.3176 176.5620 13 Y 3.9772 7.3761 115.8623 56.5910 38.4501 174.4904 14 P 4.1737 0.0000 0.0000 63.0746 31.5568 176.2066 15 Q 4.2620 8.3825 118.7298 55.2825 29.4750 176.0230 16 A 4.3808 8.4527 122.9297 52.5795 19.2005 177.1369 17 E 4.3984 8.9064 120.5099 55.3394 30.8591 176.0258 18 K 4.4986 8.0161 121.1187 57.4485 31.3060 176.3170 19 G 4.4845 9.6303 113.0604 44.3946 0.0000 171.7355 20 M 5.4556 8.0896 118.1486 53.2765 36.2461 174.2360 21 K 4.7716 8.9248 118.2106 55.5442 36.7865 174.9245 22 R 4.3016 8.4677 121.4716 54.9037 31.5080 175.0790 23 Q 4.5634 8.8926 125.9152 54.1067 31.1155 174.6479 24 V 4.6298 8.2482 123.5483 61.0242 34.1548 174.6897 25 I 4.2576 8.5021 127.6548 59.4866 40.2113 174.1244 26 Q 4.6263 8.5348 128.9464 54.1880 30.1667 175.0859 27 L 4.3476 8.2338 126.8568 54.0559 42.8406 176.7046 28 T 4.3970 8.2708 111.3282 59.9752 70.0821 173.0526 29 P 4.9083 0.0000 0.0000 62.7898 31.9897 175.7441 30 Q 4.6108 8.5794 118.6391 54.1723 33.0051 174.9407 31 E 4.0615 9.0461 121.2488 59.2644 29.5319 177.9632 32 D 4.6721 7.5747 121.2335 52.1671 41.7051 175.2280 33 E 3.9603 8.4095 124.2858 57.5613 30.0104 178.9914 34 S 4.3417 7.9144 113.5889 60.2005 63.2829 174.7156 35 T 4.5664 7.7453 111.0334 61.4618 69.7263 173.6986 36 L 5.2692 8.0405 122.1204 53.7288 44.6026 175.6410 37 K 4.9364 8.8693 118.3305 55.4919 37.4674 175.2118 38 V 5.0080 8.9877 122.4448 61.2907 34.5812 173.7387 39 E 4.9062 9.2430 129.4272 54.8999 31.3529 174.5172 40 L 4.5473 8.6499 128.0749 54.0268 42.6945 177.4220 41 L 4.5869 9.2835 127.0146 53.4173 41.0364 175.1435 42 I 4.4384 7.9447 123.0578 59.2584 39.4362 176.4483 43 G 3.8907 7.2116 111.3328 46.1039 0.0000 170.8587 44 Q 4.8961 7.2999 116.4129 54.8154 32.5173 174.3248 45 T 4.7848 8.7060 118.1807 63.8343 69.0775 173.9058 46 L 4.8215 9.0712 125.7966 52.9638 46.9151 175.6626 47 E 4.5656 8.8321 122.3082 55.6824 29.1708 175.5116 48 V 4.5879 8.1220 121.3887 58.4764 35.2386 176.3138 49 D 5.0079 8.5214 122.2628 53.9330 38.4503 177.5303 50 C 4.7014 9.0632 111.9841 55.7662 43.9791 173.8729 51 N 4.5986 7.9610 115.9782 52.7688 38.8949 173.8022 52 L 4.8945 7.7248 120.3501 53.6548 43.3015 174.8552 53 H 4.8411 8.7972 121.4861 56.4953 31.5686 173.7861 54 R 4.9233 7.6554 116.4237 54.3665 33.1786 174.9836 55 L 4.3811 9.2384 124.8520 54.4795 43.4619 176.3684 56 G 3.9115 9.3291 108.3970 45.4830 0.0000 172.1914 57 G 4.6580 7.9175 106.0615 42.9023 0.0000 172.8338 58 K 4.8145 7.8942 122.0684 54.2856 36.4140 174.3840 59 L 5.1994 8.5994 125.4660 53.8764 43.7526 175.2227 60 E 4.8278 8.9337 124.8013 54.5750 32.6626 174.2933 61 N 5.0566 8.8453 122.8095 52.4113 40.4021 173.9921 62 K 4.5454 8.3697 124.5733 54.6518 36.5505 175.0608 63 T 4.8510 7.8273 116.6689 61.6180 71.8795 175.6277 64 L 4.4805 9.3607 129.8792 55.2499 40.0015 173.5326 65 E 3.8580 7.8452 119.8584 56.8576 29.4419 177.0495 66 G 3.9058 9.2731 115.3066 45.0969 0.0000 172.8484 67 W 4.0724 8.3198 118.1683 56.1864 31.4189 177.0154 68 G 3.9309 8.3645 104.6450 45.0430 0.0000 172.8913 69 Y 4.9064 7.3558 117.0680 58.0336 39.4991 174.0708 70 D 5.8291 9.0344 120.3664 51.9763 44.1499 175.0069 71 Y 4.9751 7.5437 118.0551 55.7213 42.0784 173.3143 72 Y 5.7631 9.3437 117.7355 55.7615 42.0708 175.2780 73 V 5.1915 8.3775 120.5084 61.5127 34.8740 173.7019 74 F 5.0560 9.9161 132.3598 58.0708 39.9956 174.1236 75 D 4.3448 7.9660 124.0711 53.3867 45.2693 173.7981 76 K 3.8277 8.0695 112.6758 57.4535 29.1921 173.9927 77 V 4.9610 7.0163 117.5581 60.6741 34.0448 175.0520 78 S 4.5248 7.8104 112.8052 58.1901 64.9576 177.7661 79 S 4.8821 8.7057 124.6607 56.5935 62.0013 174.3696 80 N 4.9034 7.4026 110.8195 53.4520 38.0230 174.6694 81 D 4.0971 7.6924 119.9470 53.2718 40.8429 175.5121 82 F 5.7679 7.3975 117.5154 53.9183 41.8880 174.8897 83 T 4.5393 8.1396 111.2094 61.3201 71.0570 174.0998 84 R 4.9471 8.3003 112.9690 55.8001 30.7732 173.7686 85 V 4.4475 7.7504 116.3208 60.7984 34.9750 174.5125 86 V 4.3466 8.0014 122.5484 62.3427 33.6657 174.2323 87 C 4.5669 7.8372 126.6616 56.5926 45.8602 177.0439 *92 K 4.0612 8.7789 130.2599 57.4257 32.0533 174.7314 93 E 4.7329 7.8990 123.1046 55.0364 32.3750 171.9632 94 K 4.4053 8.6422 123.5194 56.5394 32.7510 174.8566 95 K 4.6921 9.1140 128.4880 54.4764 36.5031 174.8958 96 F 4.8581 8.7828 125.8049 56.8658 39.2392 174.2655 97 V 4.0000 8.0659 126.5059 62.2140 32.7288 175.0935 98 T 4.8951 8.4223 116.8663 59.8549 72.4031 172.3130 99 A 5.2212 8.1549 123.6761 49.3721 20.6515 176.3914 100 Y 3.9579 8.8312 123.8011 58.0707 39.0427 175.4191 101 L 4.2884 8.2130 127.6887 57.3700 43.6581 176.3216 102 G 3.8069 7.2536 104.3346 44.1289 0.0000 175.7490 103 D 4.2660 8.7717 119.3646 56.8178 41.1504 178.2946 104 A 4.0438 7.9058 121.1068 54.5489 18.6755 178.7416 105 G 3.4883 7.7406 104.4191 47.7121 0.0000 172.8889 106 M 4.6885 7.4161 120.1854 54.1200 32.8189 175.8655 107 L 4.9018 8.7882 123.9054 52.3062 45.6869 176.2632 108 R 4.2204 8.6228 122.0432 56.9222 31.0182 175.9670 109 Y 4.2065 8.6901 126.8010 56.7833 38.6798 174.0654 110 N 5.0394 8.3022 125.7658 51.2625 40.0537 174.8984 111 S 4.1738 9.1884 121.1774 59.9992 63.5838 177.1089 112 K 4.0447 8.0700 120.4755 58.4767 31.9817 177.2514 113 L 4.6813 7.2584 117.1201 51.7057 44.7132 174.5279 114 P 4.5435 0.0000 0.0000 62.8764 32.7630 175.4238 115 I 4.3311 8.3574 121.5917 59.6881 39.3345 174.8863 116 V 4.5636 8.2389 127.4094 60.9821 33.9557 174.4358 117 V 4.9645 8.8895 127.3666 61.5016 34.9364 173.3558 118 Y 5.1724 10.0384 127.1876 56.9116 39.7703 174.9664 119 T 5.1954 8.6917 113.1775 59.1152 73.3847 171.7206 120 P 4.8316 0.0000 0.0000 62.4071 32.1994 177.3327 121 D 4.4455 8.9794 122.0665 57.6770 40.9026 178.2206 122 N 5.0513 8.1131 113.6033 52.5716 37.5499 174.1482 123 V 4.5057 7.7600 118.5012 61.8134 33.8421 174.8936 124 D 4.9907 9.1661 127.5208 53.1348 43.7117 175.8219 125 V 4.6127 8.3088 119.0346 61.5882 33.9675 174.4566 126 K 4.9461 9.2442 127.6470 55.0999 35.8075 174.4305 127 Y 5.3020 7.8199 117.8157 56.5301 40.9941 173.8328 128 R 4.6277 8.9309 118.9018 54.7772 34.1007 173.7056 129 V 4.9975 8.4418 124.4836 61.8291 33.1271 174.8806 130 W 4.8731 9.6862 127.1966 54.7436 32.1023 174.4305 131 K 5.1182 8.7551 124.2683 54.5069 34.3563 175.0256 132 A 4.5018 8.5345 128.7838 51.4408 19.4088 177.2790 133 E 4.3422 8.6788 121.1336 55.0882 30.2785 175.5346 134 E 3.8723 8.3265 119.2435 57.9628 30.0593 176.7077 135 K 4.2540 7.1189 120.8236 55.3513 33.9294 176.5817 136 I 4.4221 7.8867 125.9831 59.7935 38.6156 174.6817 137 D 4.7199 8.3553 125.0973 53.5813 41.9584 175.5694 138 N 5.0104 8.2408 116.7442 51.2571 41.1642 174.8070 139 A 4.1990 8.3165 124.2029 51.9046 19.3480 177.7206 140 V 3.9606 8.0822 121.4349 61.9307 32.7742 175.5490 141 V 4.1826 7.9987 124.4137 61.6128 31.9260 176.0257 142 R 4.1777 8.3175 123.0288 56.8370 28.6962 174.5968 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 5 Q 8.33 4.27 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 6 P 0.00 4.01 0.00 2.28 2.20 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 7 L 9.63 3.90 0.00 1.58 1.64 0.44 0.52 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 8 E 7.98 4.57 0.00 2.00 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 2.36 2.26 0.00 9 K 8.33 4.15 0.00 1.80 1.83 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.42 7.81 10 I 7.48 4.13 1.90 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 1.23 0.71 0.85 0.00 0.00 11 A 7.11 3.58 0.22 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 0.00 0.00 12 P 0.00 4.56 0.00 1.86 1.94 0.00 2.49 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 13 Y 7.38 3.98 0.00 2.93 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 14 P 0.00 4.17 0.00 1.87 1.90 0.00 3.50 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.38 0.00 15 Q 8.38 4.26 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 16 A 8.45 4.38 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.91 4.40 0.00 2.05 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 2.34 2.28 0.00 18 K 8.02 4.50 0.00 1.77 1.74 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.51 7.81 19 G 9.63 4.48 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 0.00 20 M 8.09 5.46 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 21 K 8.92 4.77 0.00 1.75 1.86 0.00 1.30 0.00 0.00 1.59 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.40 7.81 22 R 8.47 4.30 0.00 1.66 1.69 0.00 2.96 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.50 0.00 23 Q 8.89 4.56 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 24 V 8.25 4.63 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 0.62 0.00 0.00 0.68 0.00 0.00 25 I 8.50 4.26 1.54 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.46 0.04 0.00 0.00 26 Q 8.53 4.63 0.00 1.92 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.98 0.00 0.00 0.00 0.00 0.00 2.19 2.36 0.00 27 L 8.23 4.35 0.00 1.23 0.99 -0.04 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.27 4.40 4.30 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 1.28 0.00 0.00 29 P 0.00 4.91 0.00 2.10 2.09 0.00 3.74 0.00 0.00 5.23 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 30 Q 8.58 4.61 0.00 1.86 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.55 2.08 0.00 31 E 9.05 4.06 0.00 1.93 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 2.31 2.26 0.00 32 D 7.57 4.67 0.00 2.67 2.46 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 33 E 8.41 3.96 0.00 2.21 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 0.00 2.37 2.39 0.00 34 S 7.91 4.34 0.00 3.96 4.07 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 35 T 7.75 4.57 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 1.25 0.00 0.00 36 L 8.04 5.27 0.00 1.29 1.34 0.15 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.87 4.94 0.00 1.79 1.66 0.00 1.61 0.00 0.00 1.50 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.45 7.81 38 V 8.99 5.01 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 1.08 0.00 0.00 0.93 0.00 0.00 39 E 9.24 4.91 0.00 2.15 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 0.00 2.33 2.26 0.00 40 L 8.65 4.55 0.00 1.40 1.48 0.48 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 41 L 9.28 4.59 0.00 1.67 1.77 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.94 4.44 1.13 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.56 0.26 0.00 0.00 43 G 7.21 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 7.30 4.90 0.00 2.10 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.95 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 45 T 8.71 4.78 4.36 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 1.30 0.00 0.00 46 L 9.07 4.82 0.00 1.53 1.51 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.83 4.57 0.00 1.96 1.90 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 2.24 2.40 0.00 48 V 8.12 4.59 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 0.78 0.00 0.00 1.01 0.00 0.00 49 D 8.52 5.01 0.00 2.70 1.73 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 50 C 9.06 4.70 0.00 3.12 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 51 N 7.96 4.60 0.00 2.77 3.06 0.00 0.00 7.12 6.74 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 52 L 7.72 4.89 0.00 1.69 1.59 1.08 1.05 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 53 H 8.80 4.84 0.00 3.13 3.30 0.00 5.89 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.66 4.92 0.00 1.84 1.79 0.00 3.22 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 55 L 9.24 4.38 0.00 1.76 1.66 0.94 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 56 G 9.33 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 7.92 4.66 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 0.00 0.00 0.00 58 K 7.89 4.81 0.00 1.84 1.59 0.00 1.57 0.00 0.00 1.67 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.45 7.81 59 L 8.60 5.20 0.00 1.81 1.59 1.05 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.93 4.83 0.00 2.05 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 0.00 2.24 2.25 0.00 61 N 8.85 5.06 0.00 2.83 2.72 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 62 K 8.37 4.55 0.00 0.79 0.90 0.00 1.91 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.21 1.23 7.81 63 T 7.83 4.85 4.22 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 1.27 0.00 0.00 64 L 9.36 4.48 0.00 1.89 1.63 0.86 -0.23 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 65 E 7.85 3.86 0.00 2.02 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 2.31 2.38 0.00 66 G 9.27 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 W 8.32 4.07 0.00 3.25 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 68 G 8.36 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 0.00 0.00 0.00 69 Y 7.36 4.91 0.00 2.93 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 70 D 9.03 5.83 0.00 2.35 2.38 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 71 Y 7.54 4.98 0.00 3.31 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 9.34 5.76 0.00 3.07 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 73 V 8.38 5.19 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 1.15 0.00 0.00 1.14 0.00 0.00 74 F 9.92 5.06 0.00 3.04 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 75 D 7.97 4.34 0.00 2.76 2.36 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 76 K 8.07 3.83 0.00 1.79 1.67 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.33 7.81 77 V 7.02 4.96 2.05 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 0.64 0.00 0.00 0.77 0.00 0.00 78 S 7.81 4.52 0.00 4.08 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 79 S 8.71 4.88 0.00 4.02 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 80 N 7.40 4.90 0.00 2.89 2.91 0.00 0.00 6.27 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 81 D 7.69 4.10 0.00 2.48 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 82 F 7.40 5.77 0.00 3.04 3.02 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 83 T 8.14 4.54 4.30 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 1.30 0.00 0.00 84 R 8.30 4.95 0.00 1.78 1.89 0.00 3.36 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 85 V 7.75 4.45 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 0.78 0.00 0.00 0.96 0.00 0.00 86 V 8.00 4.35 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 0.87 0.00 0.00 0.93 0.00 0.00 87 C 7.84 4.57 0.00 2.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *92 K 8.78 4.06 0.00 1.73 1.76 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.38 7.81 93 E 7.90 4.73 0.00 2.19 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 2.15 2.34 0.00 94 K 8.64 4.41 0.00 1.98 1.78 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.72 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.49 7.81 95 K 9.11 4.69 0.00 2.07 1.63 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.46 7.81 96 F 8.78 4.86 0.00 3.03 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 97 V 8.07 4.00 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 0.95 0.00 0.00 0.92 0.00 0.00 98 T 8.42 4.90 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 1.17 0.00 0.00 99 A 8.15 5.22 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 0.00 0.00 0.00 0.00 0.00 100 Y 8.83 3.96 0.00 2.92 2.94 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 0.00 101 L 8.21 4.29 0.00 1.50 1.60 0.85 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 102 G 7.25 3.81 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 0.00 103 D 8.77 4.27 0.00 2.69 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 0.00 104 A 7.91 4.04 1.25 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 0.00 0.00 105 G 7.74 3.49 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 0.00 106 M 7.42 4.69 0.00 1.70 1.85 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.32 0.00 107 L 8.79 4.90 0.00 1.53 1.57 0.93 0.53 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 0.00 108 R 8.62 4.22 0.00 1.86 1.88 0.00 3.27 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 109 Y 8.69 4.21 0.00 3.19 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 N 8.30 5.04 0.00 2.82 2.64 0.00 0.00 6.86 8.29 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 0.00 111 S 9.19 4.17 0.00 4.25 4.30 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 0.00 112 K 8.07 4.04 0.00 2.01 1.92 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.45 7.81 113 L 7.26 4.68 0.00 1.47 1.35 0.85 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.54 0.00 1.82 2.06 0.00 3.56 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.81 0.00 115 I 8.36 4.33 1.69 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.66 0.98 0.00 0.00 116 V 8.24 4.56 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 0.53 0.00 0.00 0.09 0.00 0.00 117 V 8.89 4.96 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 0.90 0.00 0.00 1.11 0.00 0.00 118 Y 10.04 5.17 0.00 3.01 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 0.00 119 T 8.69 5.20 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 1.33 0.00 0.00 120 P 0.00 4.83 0.00 2.39 2.07 0.00 3.84 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 121 D 8.98 4.45 0.00 2.73 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 0.00 122 N 8.11 5.05 0.00 2.86 2.93 0.00 0.00 5.73 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 0.00 123 V 7.76 4.51 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 0.86 0.00 0.00 1.07 0.00 0.00 124 D 9.17 4.99 0.00 2.95 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 0.00 125 V 8.31 4.61 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 0.80 0.00 0.00 0.93 0.00 0.00 126 K 9.24 4.95 0.00 1.75 1.56 0.00 0.86 0.00 0.00 1.29 0.00 0.00 2.49 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.21 7.81 127 Y 7.82 5.30 0.00 3.08 2.84 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 0.00 0.00 0.00 0.00 128 R 8.93 4.63 0.00 1.86 1.86 0.00 3.40 0.00 0.00 2.52 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.42 0.00 129 V 8.44 5.00 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 0.97 0.00 0.00 1.24 0.00 0.00 130 W 9.69 4.87 0.00 3.20 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 0.00 131 K 8.76 5.12 0.00 1.73 1.65 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.40 7.81 132 A 8.53 4.50 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 E 8.68 4.34 0.00 1.99 1.90 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 2.30 2.35 0.00 134 E 8.33 3.87 0.00 1.96 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 2.32 2.31 0.00 135 K 7.12 4.25 0.00 1.71 1.69 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.72 7.81 136 I 7.89 4.42 1.88 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 1.42 1.05 0.92 0.00 0.00 137 D 8.36 4.72 0.00 2.67 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 0.00 138 N 8.24 5.01 0.00 2.68 2.70 0.00 0.00 6.87 7.35 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 0.00 139 A 8.32 4.20 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 0.00 140 V 8.08 3.96 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 0.81 0.00 0.00 0.93 0.00 0.00 141 V 8.00 4.18 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 0.90 0.00 0.00 0.93 0.00 0.00 142 R 8.32 4.18 0.00 1.91 1.82 0.00 3.12 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.