NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.2963 8.2644 123.5835 50.5749 20.4789 177.3736 5 D 5.4752 6.9898 130.6181 53.1574 41.8681 173.1845 6 M 4.2256 8.4047 120.6612 56.2322 34.0877 175.2671 7 E 3.5578 8.3458 121.4995 56.0108 28.2893 176.2263 8 V 4.5634 8.3684 122.7957 58.5618 34.9116 172.2985 9 I 4.6650 8.0010 123.8778 58.4045 38.1084 173.3024 10 E 4.6172 8.6561 121.9998 54.3881 31.0062 175.3988 11 L 4.2110 8.0512 124.3538 56.6149 41.0294 175.0214 12 N 4.5640 9.6057 124.7944 53.7118 39.5668 173.2392 13 K 4.5158 8.1576 124.7134 55.1107 34.0378 175.1935 14 C 4.5720 7.9444 130.5151 59.8829 29.4718 173.8834 15 T 4.2303 8.5938 114.8099 64.6916 67.9055 176.3540 16 S 4.7413 7.4147 113.7065 56.5423 62.9411 172.0974 17 G 3.9339 7.1585 107.9440 46.5408 0.0000 171.4416 18 Q 4.6917 8.2009 117.4706 56.1520 31.6553 173.7204 19 S 5.0592 8.5962 125.4473 56.9678 66.0470 169.6286 20 F 5.0998 8.0735 117.4909 55.1798 40.4726 173.1885 21 E 4.5200 9.0525 124.0444 54.9023 31.6903 175.5607 22 V 4.5816 8.3204 126.7231 60.1453 32.2272 175.4482 23 I 3.9706 8.2172 124.0265 59.8448 36.2324 173.2770 24 L 4.5077 8.7078 128.8860 55.9824 43.2400 177.5049 25 K 4.5307 7.6448 117.2240 52.0586 35.4136 174.5964 26 P 4.2752 0.0000 0.0000 61.4112 31.1871 174.9199 27 P 3.9062 0.0000 0.0000 64.2413 30.9434 175.0924 28 S 3.6816 7.5805 117.7935 59.0266 60.4462 172.7812 *29 F 4.3567 7.3835 128.4500 57.5926 42.0670 175.4304 30 D 4.5465 8.2831 104.5747 54.1942 41.6877 170.2907 *45 P 4.1824 0.0000 0.0000 62.6222 31.7876 177.7645 46 S 4.0108 8.6231 122.9090 59.2168 62.5765 168.8899 47 L 3.7134 8.0163 125.7364 53.8313 39.0542 178.5710 48 E 4.0748 8.8928 125.5004 58.7807 30.2691 179.5781 49 E 3.6963 7.8026 121.3284 59.7770 31.2174 179.9932 50 I 4.2092 7.3562 117.9110 59.8784 34.1006 177.9705 51 Q 4.5765 7.9472 121.7401 57.0373 30.0556 178.2009 52 K 4.1328 7.6415 123.5552 58.9240 31.8320 184.0564 53 K 4.2888 7.8939 117.6060 59.8810 31.9880 178.1955 54 L 4.1635 7.7852 120.5171 57.4980 41.9257 177.4454 55 E 4.3282 8.1151 114.8547 56.5353 30.1181 176.6819 56 A 4.5065 7.8959 123.8037 53.9436 21.2611 179.7642 57 A 4.0444 7.7534 117.3307 54.8842 18.2828 179.3499 58 E 3.8838 8.0937 117.4818 59.4887 29.5617 178.4339 59 E 4.4020 7.2569 112.1914 56.6933 29.7272 176.7680 60 R 4.4964 7.7263 118.5861 56.3217 32.8788 177.4025 61 R 4.0650 8.1619 117.6927 58.9748 30.1072 178.3889 62 K 4.1552 8.5248 118.2731 58.6824 31.9948 178.7966 63 Y 4.0272 7.8610 120.0986 60.6797 38.9372 176.6144 64 Q 3.8584 8.0896 120.5976 59.5141 28.8221 178.6654 65 E 3.9597 7.8324 117.7377 58.8340 29.7335 178.0246 66 A 4.0699 7.9779 120.2638 54.8493 18.2472 177.9753 67 E 4.0975 8.0973 121.2805 58.5213 30.0570 179.0282 68 L 4.5610 7.7692 126.1353 55.1951 40.0570 178.9504 69 L 4.8631 7.3844 122.8803 56.0136 48.2586 177.2897 70 K 4.2533 7.5813 116.1425 58.6670 32.1328 177.1411 71 H 4.6659 8.4552 116.8132 56.6433 30.3858 175.2259 72 L 4.4454 7.4174 120.4726 57.2308 42.9985 177.1780 73 A 4.2192 8.4000 119.5761 53.4097 18.0395 179.0629 74 E 3.9238 8.0935 120.0989 59.6571 30.2371 178.7742 75 K 4.0521 7.9799 123.1912 59.9408 31.8625 180.4527 76 R 4.6528 7.7272 120.9903 58.2613 29.7885 177.9206 77 E 4.4935 7.5537 115.9208 56.6211 30.5249 175.8474 78 H 5.0766 8.3293 115.5130 53.9150 31.8579 174.9901 79 E 4.1744 8.1652 120.7733 59.8889 29.6482 179.4155 80 R 3.9711 7.8423 120.4014 61.4664 29.1744 181.5371 81 E 4.2558 8.1679 121.4531 59.6347 29.2964 180.5041 82 V 3.6874 7.4861 122.0688 66.6888 31.8047 182.0720 83 I 3.9000 7.6580 121.1850 64.6459 35.0067 179.8460 84 Q 4.2505 7.9795 121.4049 59.8785 28.8812 178.5042 85 K 4.1105 8.1486 123.3676 58.6270 31.6618 180.3616 86 A 4.3274 7.7064 120.5038 55.8075 18.6570 179.6264 87 I 3.7222 7.7466 120.0209 65.1339 37.3996 179.2158 88 E 4.1761 8.5057 118.4861 60.0352 29.2962 180.5369 89 E 4.2239 7.5360 117.4019 59.8719 29.9992 177.9228 90 N 4.5062 8.1733 117.0528 56.8177 39.1054 176.1585 91 N 4.3413 8.1541 117.9472 56.7510 38.4495 176.7601 92 N 4.8523 7.5195 112.2924 53.5868 38.9175 175.3280 93 F 4.8792 8.2504 124.9147 59.8072 40.9549 176.9941 94 I 3.5521 7.4411 123.0324 64.3992 38.2651 178.3856 95 K 4.5977 8.3461 120.9348 54.9239 31.1689 179.8555 96 M 5.1177 8.5919 118.8637 55.4315 34.6740 175.6989 97 A 4.6171 7.7780 118.5628 51.6068 19.6352 176.5533 98 K 4.1540 7.9066 121.9804 58.7509 32.8004 177.5603 99 E 4.5540 8.1163 116.9815 56.5885 29.8754 177.8349 100 K 3.9062 7.7693 121.5267 56.0983 33.1005 182.0019 101 L 4.1507 7.8261 119.1622 58.0169 42.6316 178.2833 102 A 3.9260 7.9935 123.6457 56.0035 18.3296 179.3630 103 Q 4.5591 7.4725 111.5086 54.9023 27.6819 178.1598 104 K 4.5710 8.1972 120.6904 57.3506 34.0228 177.0215 105 M 4.5433 7.5901 115.8249 55.2869 32.4229 176.5398 106 E 4.6248 7.8786 118.5344 55.8321 32.2801 178.1295 107 S 4.2156 7.9490 112.9654 61.0329 62.4438 175.2817 108 N 4.3327 7.9241 118.9445 56.2757 38.8421 176.4373 109 K 3.8273 8.1938 122.8622 60.6027 32.0406 178.9108 110 E 4.0299 7.7684 117.0873 61.1407 29.4157 180.9436 111 N 4.5793 7.8266 116.6918 56.4275 38.6581 177.6249 112 R 3.8516 7.9079 119.9357 59.5058 30.3395 177.9299 113 E 3.6834 8.3050 118.9049 59.4409 29.3834 178.6958 114 A 4.0932 7.7439 120.5882 54.9706 18.4032 179.1628 115 H 4.1943 8.5569 119.6429 60.0839 28.4805 178.1183 116 L 4.1551 8.9033 124.0901 58.5621 40.5915 180.2370 117 A 4.5522 7.8651 117.9442 54.4656 18.6216 179.0212 118 A 4.0906 7.8450 119.0283 54.5822 18.7488 178.8677 119 M 4.1365 7.9806 115.8586 57.3926 32.2189 177.5652 120 L 4.3221 7.2939 116.8869 56.4817 42.5795 177.9609 121 E 4.0042 7.6709 118.6199 59.6898 29.3354 179.0317 122 R 4.2267 7.7779 117.6082 58.7407 29.8228 178.7769 123 L 4.0495 7.2564 117.6470 57.9745 41.7508 178.2048 124 Q 4.3416 9.0911 116.9152 56.9398 28.2992 176.8626 125 E 4.3799 7.9142 119.6479 56.2877 31.5162 175.7511 126 K 4.7368 7.4913 119.9731 54.9126 31.2253 174.9089 127 D 4.7767 7.5663 123.1005 55.5011 47.3800 176.8203 128 K 4.4214 7.7381 119.9215 57.4082 31.8181 179.0103 129 H 4.8903 7.7547 120.3962 58.5768 30.6632 176.5827 130 A 3.8026 7.9518 123.6870 55.7234 18.1305 178.8719 131 E 4.0253 8.0611 115.5155 59.8643 29.8032 181.5462 132 E 4.2973 8.0676 113.0588 57.1310 30.3064 178.4633 133 V 4.5825 7.3568 116.8795 63.2538 32.1069 175.9555 134 R 4.4230 7.8546 120.2588 56.5874 32.4582 176.3860 135 K 4.4223 7.7656 119.0041 57.2419 32.0125 180.9292 136 N 4.9548 8.1199 119.7923 56.1397 39.3188 176.6837 137 K 4.3493 7.8472 125.9272 58.6978 31.7662 183.9902 138 E 4.2306 8.1338 119.0251 62.0137 30.0515 184.2719 139 L 4.5960 7.8990 123.4959 58.1479 41.5040 180.9726 140 K 4.1100 8.4838 121.6489 56.7353 30.9713 181.5658 141 E 4.2279 5.9000 116.9573 56.8572 29.5234 179.5294 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 4 A 8.26 4.30 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 5 D 6.99 5.48 0.00 2.83 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 6 M 8.40 4.23 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 7 E 8.35 3.56 0.00 2.14 1.86 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 2.14 1.85 0.00 8 V 8.37 4.56 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 9 I 8.00 4.66 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 1.28 0.60 0.91 0.00 0.00 10 E 8.66 4.62 0.00 1.96 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 0.00 2.12 2.34 0.00 11 L 8.05 4.21 0.00 1.76 1.78 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 12 N 9.61 4.56 0.00 2.91 3.00 0.00 0.00 6.49 6.18 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 13 K 8.16 4.52 0.00 1.70 1.67 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.47 7.81 14 C 7.94 4.57 0.00 3.05 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 15 T 8.59 4.23 4.25 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 1.22 0.00 0.00 16 S 7.41 4.74 0.00 3.96 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 17 G 7.16 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 18 Q 8.20 4.69 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.64 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 19 S 8.60 5.06 0.00 3.44 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 20 F 8.07 5.10 0.00 3.07 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 21 E 9.05 4.52 0.00 2.09 1.86 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 2.27 2.24 0.00 22 V 8.32 4.58 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.00 0.00 0.00 23 I 8.22 3.97 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 1.30 0.69 0.91 0.00 0.00 24 L 8.71 4.51 0.00 1.57 1.70 0.94 0.53 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 25 K 7.64 4.53 0.00 1.76 1.49 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.26 1.03 7.81 26 P 0.00 4.28 0.00 2.17 2.08 0.00 3.61 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 27 P 0.00 3.91 0.00 2.17 2.23 0.00 3.92 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 28 S 7.58 3.68 0.00 4.11 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 *29 F 7.38 4.36 0.00 2.25 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 0.00 0.00 0.00 30 D 8.28 4.55 0.00 2.63 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 *45 P 0.00 4.18 0.00 2.06 2.11 0.00 3.64 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 46 S 8.62 4.01 0.00 3.63 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 47 L 8.02 3.71 0.00 1.84 1.66 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.89 4.07 0.00 2.03 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 2.37 2.36 0.00 49 E 7.80 3.70 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 2.37 2.36 0.00 50 I 7.36 4.21 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 1.35 0.80 0.91 0.00 0.00 51 Q 7.95 4.58 0.00 2.24 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 52 K 7.64 4.13 0.00 1.83 1.76 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.31 7.81 53 K 7.89 4.29 0.00 1.74 1.86 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.49 7.81 54 L 7.79 4.16 0.00 1.79 1.72 0.92 0.89 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 55 E 8.12 4.33 0.00 2.12 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 0.00 2.26 2.24 0.00 56 A 7.90 4.51 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 7.75 4.04 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 58 E 8.09 3.88 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 59 E 7.26 4.40 0.00 2.08 1.91 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 2.33 2.33 0.00 60 R 7.73 4.50 0.00 2.06 1.85 0.00 3.23 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 61 R 8.16 4.06 0.00 1.96 2.11 0.00 3.15 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 62 K 8.52 4.16 0.00 2.02 1.89 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.46 7.81 63 Y 7.86 4.03 0.00 3.03 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 64 Q 8.09 3.86 0.00 2.43 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 65 E 7.83 3.96 0.00 2.02 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 0.00 2.29 2.30 0.00 66 A 7.98 4.07 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.10 4.10 0.00 1.78 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 2.08 2.20 0.00 68 L 7.77 4.56 0.00 1.77 1.52 0.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.38 4.86 0.00 1.84 1.55 0.91 0.50 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 70 K 7.58 4.25 0.00 1.81 2.00 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.42 7.81 71 H 8.46 4.67 0.00 3.26 3.24 0.00 5.78 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.42 4.45 0.00 1.77 1.70 0.92 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 73 A 8.40 4.22 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 74 E 8.09 3.92 0.00 2.11 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 2.19 2.31 0.00 75 K 7.98 4.05 0.00 1.80 1.81 0.00 1.88 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.45 1.11 7.81 76 R 7.73 4.65 0.00 1.93 2.04 0.00 3.25 0.00 0.00 3.41 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.67 0.00 77 E 7.55 4.49 0.00 1.95 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 2.28 2.44 0.00 78 H 8.33 5.08 0.00 3.20 3.38 0.00 5.87 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.17 4.17 0.00 2.36 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 80 R 7.84 3.97 0.00 1.82 1.94 0.00 3.25 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.29 0.00 81 E 8.17 4.26 0.00 2.00 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 0.00 2.39 2.53 0.00 82 V 7.49 3.69 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 0.77 0.00 0.00 0.93 0.00 0.00 83 I 7.66 3.90 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 1.41 0.53 0.91 0.00 0.00 84 Q 7.98 4.25 0.00 2.41 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 85 K 8.15 4.11 0.00 1.82 1.80 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.37 1.32 7.81 86 A 7.71 4.33 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 7.75 3.72 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 1.39 0.91 0.92 0.00 0.00 88 E 8.51 4.18 0.00 1.96 1.95 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 2.24 2.18 0.00 89 E 7.54 4.22 0.00 2.25 2.19 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 2.28 2.32 0.00 90 N 8.17 4.51 0.00 3.04 2.96 0.00 0.00 7.24 6.84 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 91 N 8.15 4.34 0.00 2.81 2.90 0.00 0.00 7.13 6.21 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 92 N 7.52 4.85 0.00 2.79 2.87 0.00 0.00 6.88 7.33 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 93 F 8.25 4.88 0.00 2.96 3.24 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 94 I 7.44 3.55 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 1.23 1.17 0.96 0.00 0.00 95 K 8.35 4.60 0.00 1.83 1.67 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.25 7.81 96 M 8.59 5.12 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.43 0.00 97 A 7.78 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.91 4.15 0.00 1.86 1.73 0.00 1.68 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.35 7.81 99 E 8.12 4.55 0.00 2.16 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 0.00 2.28 2.27 0.00 100 K 7.77 3.91 0.00 1.79 1.75 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 0.98 7.81 101 L 7.83 4.15 0.00 1.67 1.79 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.99 3.93 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 7.47 4.56 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.71 0.00 0.00 0.00 0.00 0.00 2.28 2.16 0.00 104 K 8.20 4.57 0.00 1.88 1.86 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.36 7.81 105 M 7.59 4.54 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 106 E 7.88 4.62 0.00 2.05 1.91 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 2.37 2.19 0.00 107 S 7.95 4.22 0.00 3.94 3.90 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 0.00 108 N 7.92 4.33 0.00 3.01 2.77 0.00 0.00 6.76 5.93 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 0.00 109 K 8.19 3.83 0.00 1.85 1.81 0.00 1.78 0.00 0.00 2.01 0.00 0.00 2.96 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.51 1.53 7.81 110 E 7.77 4.03 0.00 2.13 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 2.25 2.23 0.00 111 N 7.83 4.58 0.00 2.98 2.90 0.00 0.00 6.59 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 0.00 112 R 7.91 3.85 0.00 1.89 1.91 0.00 3.10 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 113 E 8.30 3.68 0.00 2.39 1.95 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 2.31 2.34 0.00 114 A 7.74 4.09 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 0.00 115 H 8.56 4.19 0.00 3.26 3.43 0.00 5.59 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.90 4.16 0.00 1.65 1.66 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 117 A 7.87 4.55 1.36 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 0.00 0.00 118 A 7.85 4.09 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 0.00 119 M 7.98 4.14 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 120 L 7.29 4.32 0.00 1.76 1.68 0.98 0.76 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 0.00 121 E 7.67 4.00 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 122 R 7.78 4.23 0.00 1.88 1.96 0.00 3.16 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 123 L 7.26 4.05 0.00 2.05 1.71 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 9.09 4.34 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.36 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 125 E 7.91 4.38 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.42 0.00 126 K 7.49 4.74 0.00 1.81 1.76 0.00 1.85 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.39 7.81 127 D 7.57 4.78 0.00 2.92 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 0.00 128 K 7.74 4.42 0.00 1.92 1.67 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.72 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.31 7.81 129 H 7.75 4.89 0.00 3.06 3.51 0.00 5.75 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.95 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.06 4.03 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.14 0.00 132 E 8.07 4.30 0.00 1.98 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 2.23 1.86 0.00 133 V 7.36 4.58 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 0.92 0.00 0.00 1.00 0.00 0.00 134 R 7.85 4.42 0.00 1.85 2.02 0.00 3.21 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 135 K 7.77 4.42 0.00 1.94 1.68 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.31 7.81 136 N 8.12 4.95 0.00 2.81 2.81 0.00 0.00 7.27 6.29 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 0.00 137 K 7.85 4.35 0.00 1.81 1.78 0.00 1.85 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.32 7.81 138 E 8.13 4.23 0.00 2.06 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 2.21 1.93 0.00 139 L 7.90 4.60 0.00 1.74 1.60 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 140 K 8.48 4.11 0.00 1.79 1.51 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.39 1.25 7.81 141 E 5.90 4.23 0.00 1.80 1.78 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 2.27 2.15 0.00 * Residues marked with a * may have inaccurate shift predictions.