NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 D 4.5606 8.3229 120.5344 54.5284 42.2357 175.8944 7 K 4.2993 8.5032 119.3209 53.7129 31.6466 167.1541 8 V 4.4168 7.5882 119.6385 61.8136 34.3237 174.4566 9 L 4.3390 8.5539 130.6107 54.7151 42.6967 175.8009 10 K 4.4723 9.0007 127.1628 55.3987 33.7734 175.7310 11 I 4.8789 8.3761 125.8294 59.5951 39.3788 174.5998 12 Q 4.5712 9.3600 129.0798 54.2612 31.1087 174.1129 13 L 4.7509 8.5323 126.9871 54.3618 42.0782 176.9651 14 R 4.4840 9.0563 123.6385 57.0176 31.2123 176.3491 15 S 4.5028 7.6379 112.1326 56.8878 65.5221 174.8939 16 A 4.1990 8.5041 122.9015 54.0347 18.0376 178.4406 17 S 4.4373 7.9733 111.0293 58.9725 63.7064 174.8636 18 A 4.3792 7.6608 123.2032 52.0899 18.7247 176.7635 19 T 4.4522 8.0602 117.1186 61.0907 71.1513 174.5551 20 V 3.6828 8.2550 126.1205 62.2245 32.0497 173.7969 21 P 5.1642 0.0000 0.0000 62.6894 32.0094 175.7776 22 T 5.0310 8.5973 112.2835 59.9826 72.5028 173.3183 23 K 4.4109 8.7237 122.3860 55.9660 33.0108 177.3089 24 G 3.6353 8.4755 110.0369 46.6707 0.0000 174.6348 *26 A 4.2121 7.5400 121.8333 51.4725 20.3995 177.7148 27 T 4.2998 7.5413 106.5872 61.3356 67.7567 174.9254 28 A 4.0960 7.5858 122.1239 52.1519 19.0304 178.0799 29 A 4.0758 8.5096 123.3780 53.9068 19.0141 178.3558 30 G 4.2236 7.5001 100.9152 44.3818 0.0000 172.9651 31 Y 4.5672 8.8036 120.8300 57.3268 39.3762 174.9790 32 D 4.6528 9.3147 124.7164 54.5161 42.2351 175.2061 33 I 4.6798 8.3861 124.1087 59.8557 39.5119 174.1637 34 Y 5.1896 8.6808 123.7609 55.7589 40.5547 175.5450 35 A 4.4778 9.4540 126.2018 52.4582 19.2544 178.0659 36 S 4.7821 9.2939 115.9263 58.4303 64.4107 174.0521 37 Q 4.6101 7.8249 120.7821 54.1309 32.0104 174.1262 38 D 4.7660 8.7781 124.8634 55.3074 41.7392 175.3721 39 I 4.2522 8.4569 119.3424 60.7502 42.3012 172.7835 40 T 4.9659 8.4463 122.8983 61.7703 70.8389 173.8033 41 I 4.2191 9.0175 128.4715 59.9087 38.1766 173.9651 42 P 4.9029 0.0000 0.0000 61.8747 32.6816 176.1150 43 A 4.0308 8.8988 126.7027 54.0432 18.6855 177.5059 44 M 3.3254 8.9318 121.4297 56.1205 30.4655 177.0704 45 G 4.1469 7.7012 106.8289 45.6550 0.0000 171.7839 46 Q 5.2015 8.7907 120.5008 54.8477 32.6644 175.3472 47 G 4.2639 8.9831 110.8080 45.1224 0.0000 171.0528 48 M 5.1784 8.4095 118.9684 53.3213 34.2132 174.8312 49 V 3.8915 8.7830 127.9769 62.7683 33.1325 175.2702 50 S 4.9760 8.7560 124.0758 58.4891 63.6584 174.8596 51 T 4.7424 8.8173 112.2568 60.6918 70.7757 173.7344 52 D 4.4655 8.8136 121.5420 54.9973 39.4686 172.5011 53 I 5.0795 7.4619 110.2340 59.3496 40.5311 174.5224 54 S 5.0360 8.6557 119.6893 57.0468 66.5522 172.8812 55 F 5.4321 7.8399 114.7757 56.4232 40.7900 173.5124 56 T 4.7138 8.8563 117.4325 61.9378 70.5007 174.6563 57 V 4.2107 8.6601 119.9079 60.1856 33.0902 174.5728 58 P 4.5425 0.0000 0.0000 62.3850 32.5847 176.3539 59 V 3.4508 7.7492 122.2867 65.0560 31.9325 176.3598 60 G 4.0389 10.1330 114.6721 45.3575 0.0000 172.1442 61 T 5.8763 7.6612 106.6816 59.2784 72.5141 172.0405 62 Y 4.9501 8.5518 119.3946 55.2578 42.5156 174.1467 63 G 4.1560 9.0465 107.0907 44.7516 0.0000 172.6928 64 R 5.1117 8.4784 128.0764 55.0209 31.8473 175.2474 65 I 4.6966 8.7742 128.2759 60.7234 37.7524 175.1007 66 A 4.9946 9.0011 129.0520 49.0897 22.7261 173.3745 67 P 4.7563 0.0000 0.0000 62.3329 32.9944 176.1462 68 R 4.2155 8.3368 120.0328 55.7186 31.1944 177.8383 69 S 4.1961 8.9415 119.5208 61.8467 62.8806 177.2287 70 G 3.6242 7.9929 107.7107 47.5928 0.0000 175.6531 71 L 3.8940 7.8375 120.6358 57.2176 41.7569 178.7887 72 A 4.3287 7.6091 121.8351 54.6277 18.0844 179.8564 73 V 3.4663 7.4748 114.8627 65.9804 31.7402 177.7763 74 K 4.3312 8.0063 116.1349 57.3810 31.2819 177.1063 75 N 4.7925 7.9988 113.5496 51.8863 40.4472 175.5212 76 G 3.8595 8.1894 106.7229 45.9708 0.0000 173.1657 77 I 4.6076 6.8166 120.8989 60.6535 38.5836 174.8764 78 Q 4.8086 9.0729 127.2410 54.2731 32.5134 174.3815 79 T 4.4281 8.7788 116.2756 61.8613 69.9773 173.8946 80 G 4.1199 8.5446 111.4246 43.6510 0.0000 175.4892 81 A 3.5735 10.0199 124.5189 52.6373 18.0505 179.6401 82 G 3.9600 9.0759 108.8598 47.4080 0.0000 172.5349 83 V 4.6155 7.4727 119.5588 61.8208 31.9459 175.2805 84 V 4.1572 9.1158 130.3102 61.4206 32.6040 175.1738 85 D 4.9614 8.6284 128.1356 53.9912 41.6560 177.8757 86 R 4.0316 8.8928 121.1623 58.9978 30.2766 176.9699 87 D 4.7149 7.9750 114.6807 52.9849 40.3267 175.5442 88 Y 4.2578 8.1071 123.7357 58.0849 38.9810 175.7549 89 T 4.2566 7.7073 115.5487 60.9039 70.0999 174.0422 90 G 3.5076 5.8152 110.5072 44.0988 0.0000 172.6245 91 E 3.9765 8.3213 120.1066 56.0697 29.9904 176.3643 92 V 4.1484 8.5996 127.0086 62.1955 31.4309 175.2699 93 K 4.7081 8.5570 127.1491 54.9321 34.6931 176.1067 94 V 4.2629 8.2837 122.3136 61.2275 33.6749 174.7816 95 V 4.2238 8.2582 128.4660 62.3373 32.8724 174.3441 96 L 5.0095 8.5639 127.7624 52.8958 44.8825 175.3097 97 F 5.4137 8.9333 122.3883 56.0306 41.5601 174.4286 98 N 5.1861 9.2246 122.9038 52.4707 39.9113 174.3087 99 H 4.7387 9.4697 123.8720 56.4261 29.3691 175.9964 100 S 4.5650 8.1904 114.2762 57.3535 64.4987 174.2041 101 Q 4.4227 8.5716 116.9137 56.1087 28.6024 175.9451 102 R 4.7797 8.0801 117.7266 53.9909 33.1014 175.4081 103 D 4.6379 8.9493 123.1896 54.6676 42.0661 175.7655 104 F 4.8977 9.2048 125.3729 56.4016 40.8458 174.3912 105 A 4.3643 8.2282 128.7764 51.6953 19.2926 176.4075 106 I 4.4290 8.6632 122.7068 59.3831 40.9795 174.8105 107 K 5.0007 9.0903 126.4119 54.3014 34.6811 175.7887 108 K 4.0649 8.8830 123.7766 58.1254 32.4586 176.8317 109 G 4.1084 9.3544 115.2558 45.1977 0.0000 173.3681 110 D 4.6923 8.2106 120.5256 54.0913 42.2063 175.9413 111 R 4.3774 8.4623 121.6229 56.2859 30.3566 176.7125 112 V 4.5385 8.4446 114.9369 60.9861 34.3142 174.7928 113 A 4.5478 7.2823 120.3061 51.6672 22.6521 174.5922 114 Q 4.9587 8.6766 113.6726 54.8643 32.8184 173.8317 115 L 5.0809 9.0704 122.7933 53.5479 44.3364 174.9529 116 I 4.6234 8.6105 127.3615 59.5907 40.0417 175.4470 117 L 4.4372 8.4400 127.3072 53.7525 40.4850 174.4351 118 E 4.1158 8.3554 121.7832 55.6405 30.6948 176.2833 119 K 4.8357 8.6688 124.7928 56.5037 32.9724 176.2585 120 I 4.6643 8.3641 116.4603 59.6904 41.2938 174.9269 121 V 4.0358 8.4193 123.2417 62.1542 30.8027 174.7868 122 D 5.0594 8.6028 126.9228 52.8251 39.6575 176.4262 123 D 4.7213 7.6843 117.7281 52.9219 39.3592 175.1591 124 A 4.2634 7.9998 121.3174 52.9668 19.5719 177.4922 125 Q 4.4295 8.2886 119.0697 54.3459 29.7484 176.1905 126 I 3.9185 8.2524 124.7412 61.0959 37.7733 175.7154 127 V 4.3187 8.1197 123.9891 60.9982 34.2603 174.2719 128 V 4.2121 8.4244 126.7170 61.3820 32.3665 175.1157 129 V 4.5842 8.0079 119.5856 59.4520 34.8108 175.5576 130 D 4.5259 8.5960 121.4027 56.9090 41.1063 177.3351 131 S 4.6301 7.5364 111.5477 56.6517 65.3615 173.7929 132 L 4.1192 8.7851 129.5252 57.2648 41.9489 177.5079 133 E 4.3061 7.7445 118.4953 55.8045 30.1138 179.5798 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 6 D 8.32 4.56 0.00 2.83 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 7 K 8.50 4.30 0.00 1.85 1.67 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.30 1.06 7.81 8 V 7.59 4.42 2.09 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 0.93 0.00 0.00 0.94 0.00 0.00 9 L 8.55 4.34 0.00 1.53 1.42 0.65 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 10 K 9.00 4.47 0.00 1.78 1.73 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.43 7.81 11 I 8.38 4.88 1.87 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.78 0.95 0.00 0.00 12 Q 9.36 4.57 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.93 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 13 L 8.53 4.75 0.00 1.56 1.59 0.91 0.97 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 14 R 9.06 4.48 0.00 1.71 1.95 0.00 3.13 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 1.58 1.66 0.00 15 S 7.64 4.50 0.00 3.95 3.92 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 16 A 8.50 4.20 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 17 S 7.97 4.44 0.00 3.87 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 18 A 7.66 4.38 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 19 T 8.06 4.45 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 0.28 0.00 0.00 20 V 8.25 3.68 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 0.79 0.00 0.00 0.92 0.00 0.00 21 P 0.00 5.16 0.00 1.86 2.16 0.00 3.70 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 22 T 8.60 5.03 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 1.34 0.00 0.00 23 K 8.72 4.41 0.00 1.54 1.59 0.00 1.54 0.00 0.00 1.15 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.68 1.07 7.81 24 G 8.48 3.64 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 *26 A 7.54 4.21 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 27 T 7.54 4.30 4.21 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 1.18 0.00 0.00 28 A 7.59 4.10 1.15 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 0.00 0.00 0.00 0.00 0.00 29 A 8.51 4.08 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 30 G 7.50 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 0.00 0.00 0.00 0.00 31 Y 8.80 4.57 0.00 2.92 2.89 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 32 D 9.31 4.65 0.00 2.56 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 0.00 0.00 0.00 33 I 8.39 4.68 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.78 1.00 0.00 0.00 34 Y 8.68 5.19 0.00 2.80 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 35 A 9.45 4.48 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 36 S 9.29 4.78 0.00 3.90 4.14 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 37 Q 7.82 4.61 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.00 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 38 D 8.78 4.77 0.00 2.59 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.46 4.25 1.87 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 1.24 1.34 0.91 0.00 0.00 40 T 8.45 4.97 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 1.22 0.00 0.00 41 I 9.02 4.22 2.05 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 1.46 1.17 1.00 0.00 0.00 42 P 0.00 4.90 0.00 2.11 1.99 0.00 3.71 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 43 A 8.90 4.03 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 44 M 8.93 3.33 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.63 0.00 45 G 7.70 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 8.79 5.20 0.00 2.29 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 47 G 8.98 4.26 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 0.00 0.00 0.00 48 M 8.41 5.18 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 49 V 8.78 3.89 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 0.91 0.00 0.00 0.97 0.00 0.00 50 S 8.76 4.98 0.00 3.84 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.82 4.74 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 1.33 0.00 0.00 52 D 8.81 4.47 0.00 2.81 2.74 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 53 I 7.46 5.08 1.99 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.32 1.04 0.00 0.00 54 S 8.66 5.04 0.00 3.84 3.58 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 55 F 7.84 5.43 0.00 2.98 2.95 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 56 T 8.86 4.71 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 1.26 0.00 0.00 57 V 8.66 4.21 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 0.81 0.00 0.00 1.08 0.00 0.00 58 P 0.00 4.54 0.00 2.08 2.21 0.00 3.60 0.00 0.00 3.66 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 59 V 7.75 3.45 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 0.76 0.00 0.00 0.99 0.00 0.00 60 G 10.13 4.04 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 0.00 0.00 0.00 61 T 7.66 5.88 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 1.23 0.00 0.00 62 Y 8.55 4.95 0.00 3.27 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 63 G 9.05 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 0.00 0.00 0.00 0.00 64 R 8.48 5.11 0.00 1.54 1.66 0.00 3.21 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.88 0.00 65 I 8.77 4.70 1.92 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.03 0.94 0.00 0.00 66 A 9.00 4.99 1.19 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 0.00 0.00 67 P 0.00 4.76 0.00 2.05 2.04 0.00 3.50 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.28 0.00 68 R 8.34 4.22 0.00 1.86 1.86 0.00 3.08 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 69 S 8.94 4.20 0.00 3.84 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 70 G 7.99 3.62 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 0.00 71 L 7.84 3.89 0.00 1.59 1.44 1.00 0.85 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 72 A 7.61 4.33 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 73 V 7.47 3.47 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 0.85 0.00 0.00 0.95 0.00 0.00 74 K 8.01 4.33 0.00 1.76 1.85 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.59 7.81 75 N 8.00 4.79 0.00 2.35 2.45 0.00 0.00 6.81 8.10 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 76 G 8.19 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 77 I 6.82 4.61 1.58 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.63 0.80 0.00 0.00 78 Q 9.07 4.81 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.99 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 79 T 8.78 4.43 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 1.20 0.00 0.00 80 G 8.54 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 0.00 0.00 0.00 0.00 81 A 10.02 3.57 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.08 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 83 V 7.47 4.62 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 0.49 0.00 0.00 0.90 0.00 0.00 84 V 9.12 4.16 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 0.85 0.00 0.00 1.07 0.00 0.00 85 D 8.63 4.96 0.00 2.80 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 86 R 8.89 4.03 0.00 1.87 2.04 0.00 3.27 0.00 0.00 3.49 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 87 D 7.98 4.71 0.00 2.85 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 88 Y 8.11 4.26 0.00 3.04 2.96 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 89 T 7.71 4.26 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 1.12 0.00 0.00 90 G 5.82 3.51 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 0.00 0.00 0.00 91 E 8.32 3.98 0.00 1.93 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 2.30 0.00 92 V 8.60 4.15 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 0.88 0.00 0.00 0.49 0.00 0.00 93 K 8.56 4.71 0.00 1.68 1.84 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.52 1.45 7.81 94 V 8.28 4.26 2.09 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 1.00 0.00 0.00 0.97 0.00 0.00 95 V 8.26 4.22 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 0.22 0.00 0.00 0.84 0.00 0.00 96 L 8.56 5.01 0.00 1.57 1.47 1.03 0.80 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 97 F 8.93 5.41 0.00 3.10 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 98 N 9.22 5.19 0.00 2.81 2.92 0.00 0.00 6.93 8.57 0.00 0.00 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 9.47 4.74 0.00 3.08 3.33 0.00 5.90 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 S 8.19 4.56 0.00 3.90 4.08 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 0.00 101 Q 8.57 4.42 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 102 R 8.08 4.78 0.00 1.67 1.84 0.00 3.20 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 103 D 8.95 4.64 0.00 2.60 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 0.00 104 F 9.20 4.90 0.00 2.99 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 0.00 105 A 8.23 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.66 4.43 1.92 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.27 0.89 0.00 0.00 107 K 9.09 5.00 0.00 1.64 1.74 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.72 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.47 7.81 108 K 8.88 4.06 0.00 1.68 1.75 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.58 7.81 109 G 9.35 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 0.00 0.00 0.00 0.00 110 D 8.21 4.69 0.00 2.72 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.46 4.38 0.00 1.58 1.63 0.00 2.86 0.00 0.00 2.98 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 1.46 0.00 112 V 8.44 4.54 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 0.76 0.00 0.00 1.03 0.00 0.00 113 A 7.28 4.55 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 0.00 114 Q 8.68 4.96 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.71 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 115 L 9.07 5.08 0.00 1.70 1.58 0.75 0.08 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 0.00 116 I 8.61 4.62 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.64 0.84 0.00 0.00 117 L 8.44 4.44 0.00 1.54 1.61 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.36 4.12 0.00 1.32 1.82 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 2.00 1.99 0.00 119 K 8.67 4.84 0.00 1.66 1.76 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.44 7.81 120 I 8.36 4.66 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.57 1.24 0.00 0.00 121 V 8.42 4.04 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 0.86 0.00 0.00 0.95 0.00 0.00 122 D 8.60 5.06 0.00 2.82 2.74 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 0.00 123 D 7.68 4.72 0.00 2.75 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 A 8.00 4.26 1.26 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 0.00 0.00 125 Q 8.29 4.43 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 126 I 8.25 3.92 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 0.46 0.91 0.00 0.00 127 V 8.12 4.32 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 0.80 0.00 0.00 0.93 0.00 0.00 128 V 8.42 4.21 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 0.93 0.00 0.00 129 V 8.01 4.58 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 0.81 0.00 0.00 0.96 0.00 0.00 130 D 8.60 4.53 0.00 2.67 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 S 7.54 4.63 0.00 3.77 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 0.00 132 L 8.79 4.12 0.00 1.68 1.71 0.92 0.84 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 0.00 133 E 7.74 4.31 0.00 1.96 1.68 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 2.16 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.