NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3490 0.0000 0.0000 62.5438 32.6478 175.0779 3 R 4.2758 8.3695 120.5060 54.2327 31.4666 174.5930 4 A 4.5889 8.0264 128.1735 49.4360 20.0156 175.3189 5 K 4.2312 8.1419 119.7871 56.8692 33.6724 177.9586 6 T 3.9809 8.7311 117.0322 65.5741 69.8423 177.1599 7 G 3.8151 7.8576 107.0924 46.9606 0.0000 174.6701 8 V 3.5812 9.1986 124.7234 65.2121 31.7316 180.4352 9 V 2.5933 6.2865 114.3271 62.0893 35.1904 176.8270 10 R 3.8405 8.1420 117.4682 59.8174 30.3612 178.0525 11 R 3.9288 7.7151 118.0247 59.7882 29.9914 178.3826 12 R 3.8711 7.9426 116.7136 59.4528 29.7837 178.9597 13 K 3.9157 8.0779 118.0253 59.8258 31.9195 179.2357 14 H 4.2518 8.4193 116.9072 58.6968 28.6543 177.6674 15 K 3.8870 8.5596 121.0260 60.0568 31.8795 178.8575 16 K 3.9294 7.8703 118.5289 59.4428 32.4288 178.9574 17 I 3.8518 7.4065 118.9543 64.4393 37.0820 178.3763 18 L 3.9857 8.0299 119.8064 57.8398 41.3145 179.5156 19 K 3.8236 8.7960 118.9516 59.8918 31.8396 179.2903 20 L 4.0132 7.6341 117.0666 57.1309 41.9152 178.4014 21 A 4.2292 7.7322 118.8724 50.8602 18.9698 177.1212 22 K 3.9109 6.8801 118.3178 58.3160 32.5698 177.0733 23 G 3.9426 8.7538 110.9459 45.7003 0.0000 173.5070 24 Y 4.7439 6.9930 116.1258 57.0953 38.6926 175.1941 25 W 4.2768 8.7951 132.4907 59.3931 31.9934 178.4030 26 G 4.2341 8.8402 110.4401 45.8781 0.0000 175.3806 27 L 4.4716 9.0125 127.2035 54.9543 42.0471 178.3358 28 R 3.5254 8.2045 119.2857 58.2613 30.1199 177.7611 29 S 4.9739 7.8795 110.0812 57.8073 64.1661 174.6003 30 K 4.3302 7.9052 118.5849 56.0825 33.7843 175.5723 31 S 4.5272 8.8893 117.8077 56.7933 62.9802 174.9482 *32 F 4.1945 8.7748 124.8070 57.8001 38.1167 172.1344 33 R 4.6083 9.8631 116.6781 57.8779 33.1483 177.4197 34 K 3.7919 8.1564 118.2367 59.0855 31.8225 178.8721 35 A 4.4796 7.8988 121.5938 54.8543 18.5605 179.3573 36 R 3.5119 7.8462 116.3556 59.5430 30.1551 178.4313 37 E 3.8193 8.2436 118.4787 59.6824 29.4942 179.4360 38 T 3.8422 7.8420 115.7696 66.3988 68.3598 176.8172 39 L 4.0003 7.8802 121.2600 57.7163 41.6422 178.9749 40 F 4.3953 7.5676 117.0981 60.9043 38.9345 177.3012 41 A 3.6395 7.6738 118.3997 55.3333 18.1218 179.4205 42 A 4.1457 7.8215 118.9661 55.4536 18.3631 179.5669 43 G 3.7818 8.5600 104.3832 48.3998 0.0000 175.2546 44 N 4.3140 8.2158 119.0217 55.9421 38.7081 176.8068 45 Y 4.4756 8.1624 118.0091 61.4482 37.9628 178.9816 46 A 4.1012 8.3228 121.2219 55.2826 18.3733 178.8642 47 Y 4.1055 8.3891 117.9282 60.9508 38.8051 177.9469 48 A 4.1342 8.9895 122.1278 55.9254 18.3579 179.1456 49 H 4.4962 8.6897 114.2408 58.2036 28.4949 178.0033 50 R 3.9061 8.7693 121.3694 59.4671 28.3383 179.1851 51 K 3.7220 7.7295 117.9631 59.1636 31.9654 179.8011 52 R 4.1048 7.6644 118.8954 59.1004 30.1227 178.7423 53 R 3.9936 8.2759 118.8676 59.6042 30.0748 178.5132 54 K 3.9138 7.6614 118.0323 59.1144 31.9768 179.0864 55 R 4.0919 7.3424 114.5724 58.5364 30.0757 178.1304 56 D 4.2625 8.3747 120.3189 57.2701 40.7974 179.3968 57 F 3.2578 8.2129 117.1824 60.9652 38.8256 178.0549 58 R 3.8610 6.9341 116.3143 59.2707 29.7898 178.6585 59 R 3.7879 8.0152 117.4833 60.0680 30.1431 178.4708 60 L 3.6724 7.5603 117.1044 58.6353 41.5604 179.4826 61 W 4.6843 8.3289 116.3204 60.7171 29.2475 178.3004 62 I 3.7876 8.9891 119.5718 64.9856 36.8433 178.7536 63 V 3.5454 8.4448 118.9472 66.5959 31.3329 177.4875 64 R 3.7742 8.7844 116.9517 59.9214 29.8097 178.3712 65 I 3.8411 8.8568 119.1513 65.1187 37.6027 177.5109 66 N 4.4235 8.6649 117.1400 57.0536 38.5136 176.1933 67 A 3.9747 7.8975 120.7462 55.5996 18.2524 179.2569 68 A 3.9258 7.8684 118.7929 54.7585 18.4013 179.1277 69 C 4.2713 8.3518 112.5272 60.1970 30.4814 175.9157 70 R 4.8149 8.4846 122.7525 58.4790 29.2857 178.0423 71 Q 4.1257 7.6510 117.6907 58.5091 28.9920 175.8986 72 H 4.7860 7.9735 115.8461 55.2208 29.1397 174.2492 73 G 3.7873 7.8064 110.9911 43.6601 0.0000 173.6210 74 L 4.6068 7.3131 124.4582 54.4551 42.5292 174.2317 75 N 4.7285 8.1074 117.1838 53.9102 40.3224 175.4200 76 Y 4.2995 8.9071 124.2732 61.0564 38.8317 179.0187 77 S 4.1330 8.2898 114.4373 61.9807 63.1654 176.0991 78 T 3.8467 8.0682 119.3671 66.0898 68.1607 175.7013 79 F 4.3862 8.4555 122.1937 62.0119 39.3386 177.5433 80 I 3.0604 8.0946 119.4015 64.4524 36.8434 178.0466 81 H 4.1830 8.2893 119.1619 58.9536 29.6708 177.2439 82 G 3.8132 8.5712 109.3839 47.2175 0.0000 175.1017 83 L 3.8076 7.8182 122.0670 57.2391 41.4272 179.3022 84 K 3.6869 7.7831 118.3376 59.8136 32.1521 178.3015 85 K 3.9621 8.1649 118.0844 59.3361 32.1305 178.2787 86 A 4.3210 8.1290 120.8038 51.8035 18.4556 174.1219 87 G 3.6886 9.7002 111.9535 46.0556 0.0000 174.3890 88 I 4.4447 7.8510 118.2691 59.3529 38.3827 175.2213 89 E 3.8194 8.1354 123.4673 59.7518 30.3074 178.5186 90 V 3.6720 7.1206 116.0131 64.1602 30.5335 173.7392 91 D 3.9595 8.8579 113.4550 51.3573 41.9607 171.5823 92 R 3.5702 7.3824 125.2066 56.3872 29.8645 177.4152 93 K 4.1422 8.6525 125.0252 59.6746 30.7551 177.1946 94 N 2.0000 7.2087 115.9868 56.5727 38.3877 175.5375 95 L 3.9455 8.3827 114.6102 55.2595 42.0027 177.9563 96 A 4.7383 7.7360 124.1219 51.2409 17.2231 178.4241 97 D 4.7044 7.6527 121.4523 53.7208 40.5706 178.5455 98 L 3.8409 7.6673 120.6389 57.3443 41.6958 178.6055 99 A 3.3465 8.0532 119.1180 54.9847 18.0670 178.3387 100 V 3.9007 8.3372 115.8770 64.0828 32.5239 176.3522 101 R 4.0350 7.2505 117.4862 56.7848 31.5316 175.8210 102 E 4.6181 8.6116 113.5916 55.5530 27.9989 173.7347 103 P 4.4177 0.0000 0.0000 66.2936 31.9445 177.9237 104 Q 4.3160 8.1645 116.5649 59.4145 28.5875 178.4928 105 V 3.5343 8.0116 118.1171 66.3239 31.3065 177.1751 106 F 3.9530 8.1396 118.0474 61.5196 39.2950 176.9856 107 A 4.1621 9.2147 121.0922 55.5929 18.0547 179.4772 108 E 3.8896 8.3029 116.6575 59.5962 29.5568 179.3122 109 L 3.9148 7.9843 119.2961 57.9488 41.6336 179.6800 110 V 3.2668 7.9367 118.0211 66.0388 31.4211 177.5306 111 E 3.9141 8.0521 117.9962 59.7413 29.3943 179.4385 112 R 3.8690 8.2804 117.8744 59.4473 30.0466 178.7244 113 A 3.8951 8.3161 120.6715 55.0938 18.6461 179.4485 114 K 4.1625 8.5245 115.8128 58.4825 32.7437 178.7720 115 A 3.9608 8.2693 122.6063 55.2802 18.5244 178.9524 116 A 4.2284 7.8696 116.2138 52.9015 19.7534 177.9365 117 Q 4.5562 7.6844 115.6824 53.2748 29.1848 175.8005 118 G 3.7343 7.7950 109.4761 45.8024 0.0000 170.5180 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 P 0.00 4.35 0.00 2.17 2.12 0.00 3.45 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.08 0.00 3 R 8.37 4.28 0.00 1.86 1.85 0.00 3.17 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 4 A 8.03 4.59 1.22 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 5 K 8.14 4.23 0.00 1.88 1.83 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.56 7.81 6 T 8.73 3.98 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 7 G 7.86 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 0.00 0.00 0.00 8 V 9.20 3.58 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 0.96 0.00 0.00 0.93 0.00 0.00 9 V 6.29 2.59 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 0.88 0.00 0.00 0.95 0.00 0.00 10 R 8.14 3.84 0.00 1.92 1.97 0.00 3.32 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 11 R 7.72 3.93 0.00 1.88 2.07 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 12 R 7.94 3.87 0.00 2.06 1.96 0.00 3.20 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 13 K 8.08 3.92 0.00 1.74 1.82 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.48 7.81 14 H 8.42 4.25 0.00 3.46 3.33 0.00 5.65 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.56 3.89 0.00 1.92 2.10 0.00 1.33 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.56 7.81 16 K 7.87 3.93 0.00 1.96 1.93 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.50 7.81 17 I 7.41 3.85 2.02 0.00 0.00 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 1.51 1.29 0.88 0.00 0.00 18 L 8.03 3.99 0.00 1.83 1.72 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.80 3.82 0.00 2.02 1.86 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.60 7.81 20 L 7.63 4.01 0.00 1.94 1.75 0.94 0.90 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 21 A 7.73 4.23 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 6.88 3.91 0.00 1.66 1.68 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.71 1.49 7.81 23 G 8.75 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 24 Y 6.99 4.74 0.00 3.22 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 25 W 8.80 4.28 0.00 3.44 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 26 G 8.84 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 0.00 0.00 0.00 0.00 27 L 9.01 4.47 0.00 1.75 1.72 0.94 0.90 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 28 R 8.20 3.53 0.00 2.02 2.07 0.00 3.13 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 29 S 7.88 4.97 0.00 3.93 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.91 4.33 0.00 1.73 1.85 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.29 7.81 31 S 8.89 4.53 0.00 3.75 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 *32 F 8.77 4.19 0.00 2.34 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 0.00 0.00 0.00 33 R 9.86 4.61 0.00 1.92 2.12 0.00 2.77 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 34 K 8.16 3.79 0.00 1.95 1.94 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.64 7.81 35 A 7.90 4.48 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.85 3.51 0.00 1.71 1.92 0.00 3.12 0.00 0.00 3.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.93 0.00 37 E 8.24 3.82 0.00 2.17 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 2.39 2.34 0.00 38 T 7.84 3.84 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 39 L 7.88 4.00 0.00 1.62 1.67 0.98 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 40 F 7.57 4.40 0.00 3.21 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 41 A 7.67 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.82 4.15 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 43 G 8.56 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 0.00 0.00 0.00 44 N 8.22 4.31 0.00 2.68 2.83 0.00 0.00 7.13 7.29 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 45 Y 8.16 4.48 0.00 3.12 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 46 A 8.32 4.10 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 47 Y 8.39 4.11 0.00 3.14 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.99 4.13 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 H 8.69 4.50 0.00 3.24 3.35 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.77 3.91 0.00 1.97 1.84 0.00 3.05 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 51 K 7.73 3.72 0.00 1.82 1.81 0.00 1.62 0.00 0.00 1.50 0.00 0.00 2.60 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.19 1.42 7.81 52 R 7.66 4.10 0.00 1.89 2.12 0.00 3.26 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 53 R 8.28 3.99 0.00 1.98 2.11 0.00 3.03 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.93 0.00 54 K 7.66 3.91 0.00 1.88 1.86 0.00 1.87 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.44 7.81 55 R 7.34 4.09 0.00 2.00 2.15 0.00 2.81 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 56 D 8.37 4.26 0.00 2.74 2.52 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 0.00 57 F 8.21 3.26 0.00 2.49 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.93 3.86 0.00 2.19 1.96 0.00 3.22 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.92 0.00 59 R 8.02 3.79 0.00 1.92 1.87 0.00 3.07 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 60 L 7.56 3.67 0.00 1.39 1.52 0.36 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 61 W 8.33 4.68 0.00 3.75 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.99 3.79 1.74 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.69 0.22 0.00 0.00 63 V 8.44 3.55 2.16 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 1.02 0.00 0.00 0.93 0.00 0.00 64 R 8.78 3.77 0.00 2.18 2.00 0.00 3.44 0.00 0.00 3.22 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.09 0.00 65 I 8.86 3.84 2.34 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.87 1.60 0.00 0.00 66 N 8.66 4.42 0.00 3.07 2.90 0.00 0.00 7.17 8.22 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 67 A 7.90 3.97 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 68 A 7.87 3.93 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 69 C 8.35 4.27 0.00 2.74 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 8.48 4.81 0.00 1.97 2.23 0.00 3.17 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.55 0.00 71 Q 7.65 4.13 0.00 2.31 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.14 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 72 H 7.97 4.79 0.00 3.13 3.25 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 7.81 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.31 4.61 0.00 1.86 1.81 0.89 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.11 4.73 0.00 2.93 2.98 0.00 0.00 6.47 7.48 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 76 Y 8.91 4.30 0.00 3.29 3.16 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 77 S 8.29 4.13 0.00 4.16 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 0.00 78 T 8.07 3.85 4.31 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 1.25 0.00 0.00 79 F 8.46 4.39 0.00 3.02 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 80 I 8.09 3.06 1.44 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 -0.36 0.73 0.00 0.00 81 H 8.29 4.18 0.00 3.27 3.45 0.00 5.80 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 82 G 8.57 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 83 L 7.82 3.81 0.00 1.63 1.49 0.83 -0.02 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 84 K 7.78 3.69 0.00 1.63 2.01 0.00 1.66 0.00 0.00 1.58 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.44 7.81 85 K 8.16 3.96 0.00 1.63 1.84 0.00 1.67 0.00 0.00 1.59 0.00 0.00 3.17 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.44 7.81 86 A 8.13 4.32 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 87 G 9.70 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.85 4.44 1.78 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.22 0.85 0.00 0.00 89 E 8.14 3.82 0.00 1.92 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 2.31 2.38 0.00 90 V 7.12 3.67 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 0.69 0.00 0.00 0.85 0.00 0.00 91 D 8.86 3.96 0.00 2.69 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 92 R 7.38 3.57 0.00 1.95 1.73 0.00 3.17 0.00 0.00 3.13 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.57 0.00 93 K 8.65 4.14 0.00 2.07 2.21 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.16 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.72 1.79 7.81 94 N 7.21 2.00 0.00 1.44 2.17 0.00 0.00 7.23 6.66 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 95 L 8.38 3.95 0.00 1.86 1.59 0.84 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.74 4.74 1.62 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 0.00 0.00 97 D 7.65 4.70 0.00 2.92 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 98 L 7.67 3.84 0.00 1.88 1.99 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.05 3.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.34 3.90 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 0.88 0.00 0.00 0.90 0.00 0.00 101 R 7.25 4.04 0.00 1.93 1.84 0.00 3.32 0.00 0.00 3.40 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 102 E 8.61 4.62 0.00 2.22 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 2.31 2.24 0.00 103 P 0.00 4.42 0.00 2.14 2.16 0.00 3.89 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.06 0.00 104 Q 8.16 4.32 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 105 V 8.01 3.53 2.33 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 1.16 0.00 0.00 0.96 0.00 0.00 106 F 8.14 3.95 0.00 3.40 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 9.21 4.16 1.48 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 0.00 108 E 8.30 3.89 0.00 2.16 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 2.69 0.00 109 L 7.98 3.91 0.00 1.51 1.68 0.91 0.93 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 0.00 110 V 7.94 3.27 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 0.97 0.00 0.00 0.34 0.00 0.00 111 E 8.05 3.91 0.00 2.17 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 2.46 2.51 0.00 112 R 8.28 3.87 0.00 1.97 1.99 0.00 3.28 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.80 0.00 113 A 8.32 3.90 1.62 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 0.00 0.00 114 K 8.52 4.16 0.00 1.97 2.08 0.00 1.31 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.78 1.45 7.81 115 A 8.27 3.96 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 0.00 116 A 7.87 4.23 1.27 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 0.00 0.00 0.00 117 Q 7.68 4.56 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 118 G 7.79 3.73 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.