NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 D 4.5750 8.3644 120.5325 54.7358 41.8145 175.6796 18 D 4.5002 7.8354 124.1721 52.5641 39.9744 174.9616 19 C 4.9711 8.8552 116.5934 56.4357 42.9762 173.7519 20 S 4.8761 7.9937 115.8099 57.8902 64.5843 174.3748 21 G 3.9201 8.8781 110.9876 46.1128 0.0000 174.9446 22 K 4.3363 7.6846 121.4177 55.3310 30.8094 176.9659 23 T 4.2704 7.3855 106.5358 61.0057 69.9858 173.7146 24 D 4.7057 8.0080 121.9457 54.1150 42.0883 176.1611 25 A 3.9851 8.7868 130.0024 55.0248 18.4789 179.1438 26 W 4.4245 8.2093 126.4108 60.9794 30.8692 177.9863 27 T 3.5601 8.3626 115.8100 66.7237 67.6438 176.4652 28 S 3.9587 7.5286 113.2797 61.1920 62.4674 175.8660 29 I 3.8801 7.6620 121.8316 64.3854 37.1589 178.3210 30 K 3.4312 7.6058 119.2971 59.3243 32.0000 177.5454 31 G 3.9594 8.0236 108.1058 44.9930 0.0000 172.1795 32 P 4.3371 0.0000 0.0000 62.3015 31.5908 177.1699 33 K 3.7567 8.0664 116.3396 57.5267 29.9351 174.9858 34 T 4.7268 7.1566 113.7351 62.3298 73.2406 175.5282 35 G 3.6665 8.6407 110.3341 46.7631 0.0000 171.1794 36 G 4.1169 7.6400 106.1197 46.0380 0.0000 171.3443 37 Y 5.2192 8.9834 117.0400 55.9530 41.3167 175.2967 38 W 5.3482 9.1003 123.4520 54.9822 31.8861 175.3263 39 L 3.2141 8.7168 126.8844 54.9207 41.4221 176.2890 40 K 4.2054 8.8993 129.0268 58.5359 33.3287 176.3453 41 Q 5.1038 7.3513 117.2488 54.5226 33.2780 173.8133 42 T 5.4103 8.6978 115.6682 60.9524 70.9611 174.5210 43 T 4.4410 8.6747 116.2901 62.8844 69.5260 174.8411 44 K 3.8553 7.9567 125.1296 56.1727 32.7251 176.1783 45 T 4.3052 8.3164 116.2282 61.6972 70.2662 174.4949 46 G 3.8379 8.7186 110.2555 46.3332 0.0000 173.5544 47 E 4.0166 7.9303 119.2041 55.3345 30.2565 176.2331 48 N 4.3926 8.3314 122.1918 52.9096 39.2147 175.2279 49 E 4.1969 8.7035 122.6668 57.8802 30.3553 177.4874 50 C 4.4674 9.1996 117.5677 58.2896 38.1445 173.3091 51 T 5.0396 8.0979 116.1598 64.5065 68.7781 173.0601 52 Y 5.6361 9.0740 122.8224 55.9093 42.3748 173.7957 53 V 4.4429 9.0948 119.3544 60.9480 35.2646 173.8487 54 K 4.8466 9.3691 128.7174 54.5973 35.0828 174.9146 55 G 4.6688 8.9233 114.4195 45.5183 0.0000 172.4731 56 T 4.1678 8.2759 112.0219 59.8360 72.7588 172.6479 57 D 4.4131 8.3280 117.3899 55.3139 38.2870 174.2688 58 F 4.7279 7.9600 116.4990 57.4836 40.0401 175.9547 59 K 4.5802 9.2394 125.2635 54.2841 31.7149 176.5920 60 E 4.1681 8.9490 124.9905 59.3013 29.6586 179.5354 61 N 4.3541 8.0719 114.4092 54.6561 37.6729 175.4006 62 T 4.2056 6.8804 106.9252 60.1400 69.9237 173.7491 63 K 2.0000 6.7614 120.3315 57.3931 30.1726 174.7623 64 T 5.0042 6.6442 112.6083 61.9633 73.2154 174.3973 65 A 5.2951 8.8118 124.8572 50.3588 23.7519 174.9843 66 T 4.6760 8.5850 116.2464 63.2234 70.1167 173.9884 67 Y 5.3577 9.2019 124.3244 56.9506 40.6617 174.6529 68 T 5.2152 8.9806 120.4925 62.0017 71.2036 173.0278 69 Y 4.3153 8.7592 123.8083 54.9849 42.0693 175.6623 70 G 3.7683 6.9378 104.8675 47.4648 0.0000 170.1891 71 Y 5.7114 6.5532 117.4310 56.9527 42.0173 173.3156 72 K 4.6902 9.3160 122.4417 56.7255 32.8509 176.5294 73 D 4.9929 9.3122 127.9111 51.9774 41.8241 176.9900 74 A 3.9966 8.7695 120.2696 54.9377 18.4064 178.4591 75 S 4.5096 8.3577 109.9294 58.2379 63.0867 175.1751 76 G 3.9173 8.4592 109.3011 45.1225 0.0000 173.6375 77 K 4.5258 8.2837 121.5304 54.9819 34.3219 175.4201 78 L 5.0045 8.3276 125.1402 54.2724 42.5966 177.0578 79 T 4.0296 8.7708 113.9476 61.8632 70.3480 174.0071 80 K 4.7817 8.2483 121.3245 54.3131 34.9390 175.1975 81 T 4.5245 8.5352 122.6484 61.5833 70.9913 173.9593 82 T 5.0053 8.2246 115.8343 60.7616 71.2994 173.6215 83 G 4.2803 8.9581 109.0664 46.2258 0.0000 171.7489 84 T 5.0085 8.4051 116.3133 62.0397 70.4794 174.9790 85 A 4.6619 8.7625 128.6665 49.2375 22.1603 175.2234 *87 A 4.4303 8.2449 120.1679 52.4897 19.7198 177.5107 88 K 4.5080 8.6910 122.6333 54.5148 34.2957 178.6707 89 G 3.9066 8.0892 117.9602 46.9077 0.0000 173.4971 90 S 5.1996 8.8525 122.5351 57.8793 63.6779 172.4472 91 D 5.2905 8.0142 121.9584 52.8648 42.9583 175.4768 92 I 4.5503 8.9762 124.4581 59.9189 38.9590 174.6907 93 V 4.5427 8.2466 127.4249 61.1242 34.0013 174.3811 94 V 4.5429 8.0267 128.0826 59.3393 33.0594 177.1976 95 G 3.8029 8.6986 120.1584 46.7486 0.0000 173.3482 96 S 4.4044 9.0026 119.0055 58.3172 63.5527 172.9595 97 D 5.0566 8.1474 121.4819 53.0114 43.2258 174.6628 98 T 5.1930 8.1559 119.0887 62.0658 72.7670 173.3763 99 S 5.0188 9.0855 120.5138 57.0778 66.9351 172.9895 100 T 4.9350 8.8668 120.6137 61.6853 70.8572 173.7875 101 V 4.0058 8.7784 127.8247 63.1161 31.4736 175.6255 102 I 4.2803 8.8272 129.5095 63.5309 38.4080 175.9272 103 Y 4.9775 7.6974 121.2861 56.6107 42.1726 173.5574 104 T 4.9162 7.6149 120.0332 60.5515 69.8000 173.1460 105 D 4.4828 8.6006 124.8832 52.3490 39.9764 177.6146 106 G 3.9157 8.2324 108.2637 46.3397 0.0000 175.0782 107 K 4.3733 8.2551 117.6201 57.3193 36.4310 177.4488 108 T 4.7581 9.0058 107.0042 62.1624 71.0553 171.1697 109 C 5.5819 8.3634 114.0065 55.1756 43.7323 172.5092 110 D 5.1839 9.2134 118.5266 52.8567 45.5864 174.5751 111 V 5.1168 9.2271 121.5048 61.4771 34.1078 174.9204 112 V 5.0632 9.0548 120.0472 59.5478 36.5377 174.2408 113 K 4.8827 9.0788 124.6957 55.3907 34.0389 174.6852 114 H 5.0039 9.4869 127.9465 53.9728 32.3729 173.5404 115 G 4.1956 9.6920 118.0764 46.6059 0.0000 173.0656 116 G 3.9652 8.1904 105.1112 45.5532 0.0000 173.1996 117 H 4.8018 7.9492 116.9005 54.9506 30.4102 173.8571 118 T 5.1533 8.5998 119.4035 62.3173 70.5448 173.6727 119 E 5.2682 9.5159 125.2936 54.4630 33.7605 174.4689 120 L 5.0473 8.6333 126.2583 53.2638 44.0872 174.8575 121 W 5.2071 9.3019 127.0534 54.9922 31.9178 175.3688 122 V 4.8048 8.8936 123.4367 60.9894 34.2930 174.4375 123 H 3.9225 9.1378 128.1594 55.7657 30.3672 176.4148 124 S 4.2611 8.1507 119.3501 61.0863 62.8170 175.7630 125 S 4.3645 7.8715 113.9535 59.7614 63.3539 174.6134 126 K 4.7011 8.2938 120.8457 56.1981 33.0362 177.9716 127 T 3.6826 8.2075 112.2828 64.7409 68.4032 175.2529 128 S 4.1859 7.8803 114.2835 58.5196 63.5331 172.5809 129 G 3.7932 8.8231 106.9178 44.5135 0.0000 174.2476 130 G 3.7425 8.3614 106.5158 45.5139 0.0000 173.1728 131 Y 4.3844 7.1111 117.3638 55.7020 39.0872 174.8838 132 N 4.4186 9.1246 119.6216 53.6527 39.4124 175.2012 133 N 4.5309 8.7347 123.1374 54.8021 37.5198 177.4893 134 C 4.0220 8.5555 120.0242 60.3618 41.0863 175.2558 135 C 4.2757 8.2793 118.1502 60.0089 39.7452 175.8152 136 D 4.4735 8.1120 120.0101 57.2867 40.4407 178.7202 137 K 3.9636 7.9332 118.6796 59.7060 32.1607 179.7102 138 K 4.0363 8.3445 118.7788 59.0354 31.9067 179.3934 139 F 4.2345 8.5680 121.3635 61.6352 38.8521 177.2629 140 T 3.7243 8.0747 115.2925 66.6862 68.0426 176.3701 141 E 3.9752 8.1175 119.2634 59.9005 29.5765 179.3725 142 T 4.0743 7.6780 114.7770 66.2956 68.8360 176.8556 143 R 3.9721 7.9987 117.7483 56.7710 29.8583 177.8415 144 G 3.6570 7.8100 107.5352 47.0091 0.0000 175.4774 145 S 4.3238 8.6409 117.9906 59.1558 63.5265 174.3799 146 T 4.1333 7.4344 119.3125 62.5131 68.3647 172.8395 147 P 4.5175 0.0000 0.0000 62.7332 32.6569 175.4103 148 A 4.7582 8.5330 123.9431 51.4913 20.3766 176.4394 149 N 5.0820 9.1293 117.7489 51.3190 42.2388 173.8649 150 E 4.6334 8.8457 122.7007 56.4403 29.9972 176.5908 151 V 4.0984 8.6592 122.8993 63.6683 34.6791 174.2470 152 Y 4.5213 8.0165 121.3019 55.8197 37.1949 172.7852 153 K 4.1547 7.3773 122.4306 54.9688 35.9836 177.0778 154 K 3.5759 8.2096 123.9937 57.4721 29.3130 175.1860 155 C 4.6041 6.9063 114.5542 54.2121 42.4174 172.9314 156 P 4.6286 0.0000 0.0000 61.9681 33.5274 178.0584 157 G 4.0489 8.3336 111.7252 45.3466 0.0000 171.9439 *159 P 4.0763 0.0000 0.0000 62.4205 31.7214 175.9150 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 17 D 8.36 4.58 0.00 2.69 2.71 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 0.00 0.00 0.00 0.00 18 D 7.84 4.50 0.00 2.74 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 19 C 8.86 4.97 0.00 2.97 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 20 S 7.99 4.88 0.00 3.88 3.80 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 0.00 0.00 0.00 21 G 8.88 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 0.00 0.00 0.00 22 K 7.68 4.34 0.00 1.59 1.63 0.00 1.59 0.00 0.00 1.88 0.00 0.00 3.30 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.73 1.48 7.81 23 T 7.39 4.27 4.35 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 1.32 0.00 0.00 24 D 8.01 4.71 0.00 2.81 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.79 3.99 1.42 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 26 W 8.21 4.42 0.00 3.34 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 27 T 8.36 3.56 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 1.07 0.00 0.00 28 S 7.53 3.96 0.00 3.72 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 29 I 7.66 3.88 2.01 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.80 1.09 0.00 0.00 30 K 7.61 3.43 0.00 1.11 1.11 0.00 1.22 0.00 0.00 1.11 0.00 0.00 2.13 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.30 0.21 7.81 31 G 8.02 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 32 P 0.00 4.34 0.00 2.11 2.15 0.00 3.88 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.54 0.00 33 K 8.07 3.76 0.00 1.71 1.71 0.00 1.22 0.00 0.00 1.43 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.30 0.72 7.81 34 T 7.16 4.73 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 1.21 0.00 0.00 35 G 8.64 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 0.00 0.00 0.00 36 G 7.64 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 37 Y 8.98 5.22 0.00 2.73 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 38 W 9.10 5.35 0.00 3.12 3.07 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 39 L 8.72 3.21 0.00 0.27 1.31 0.09 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.90 4.21 0.00 1.66 1.62 0.00 1.47 0.00 0.00 1.37 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 1.32 7.81 41 Q 7.35 5.10 0.00 1.21 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.56 0.00 0.00 0.00 0.00 0.00 2.24 2.12 0.00 42 T 8.70 5.41 4.18 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 1.20 0.00 0.00 43 T 8.67 4.44 4.32 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 1.18 0.00 0.00 44 K 7.96 3.86 0.00 1.33 1.62 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.20 7.81 45 T 8.32 4.31 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 1.26 0.00 0.00 46 G 8.72 3.84 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 0.00 0.00 0.00 47 E 7.93 4.02 0.00 1.86 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 2.23 2.35 0.00 48 N 8.33 4.39 0.00 2.49 2.50 0.00 0.00 6.99 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 49 E 8.70 4.20 0.00 2.05 1.85 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 2.38 2.33 0.00 50 C 9.20 4.47 0.00 3.36 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 51 T 8.10 5.04 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 1.38 0.00 0.00 52 Y 9.07 5.64 0.00 2.62 2.69 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 53 V 9.09 4.44 1.51 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 -0.33 0.00 0.00 0.30 0.00 0.00 54 K 9.37 4.85 0.00 1.81 1.67 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.57 7.81 55 G 8.92 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 56 T 8.28 4.17 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 1.19 0.00 0.00 57 D 8.33 4.41 0.00 2.74 2.69 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 58 F 7.96 4.73 0.00 3.18 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 59 K 9.24 4.58 0.00 1.88 1.69 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.57 7.81 60 E 8.95 4.17 0.00 2.08 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 0.00 2.67 2.40 0.00 61 N 8.07 4.35 0.00 2.77 2.92 0.00 0.00 5.80 7.71 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 62 T 6.88 4.21 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 1.12 0.00 0.00 63 K 6.76 2.00 0.00 1.41 1.08 0.00 1.42 0.00 0.00 1.53 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.30 0.81 7.81 64 T 6.64 5.00 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 1.20 0.00 0.00 65 A 8.81 5.30 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 66 T 8.58 4.68 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 1.22 0.00 0.00 67 Y 9.20 5.36 0.00 3.04 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 68 T 8.98 5.22 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 1.28 0.00 0.00 69 Y 8.76 4.32 0.00 2.82 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 70 G 6.94 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 0.00 0.00 0.00 71 Y 6.55 5.71 0.00 3.41 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 72 K 9.32 4.69 0.00 1.96 1.94 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.48 7.81 73 D 9.31 4.99 0.00 2.84 2.83 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 74 A 8.77 4.00 1.33 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 0.00 0.00 75 S 8.36 4.51 0.00 3.99 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 76 G 8.46 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 0.00 0.00 0.00 77 K 8.28 4.53 0.00 1.84 1.99 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.41 7.81 78 L 8.33 5.00 0.00 1.56 1.72 0.73 1.17 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 79 T 8.77 4.03 3.97 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 0.95 0.00 0.00 80 K 8.25 4.78 0.00 1.57 1.74 0.00 1.74 0.00 0.00 1.08 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.32 7.81 81 T 8.54 4.52 3.31 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 0.91 0.00 0.00 82 T 8.22 5.01 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 1.18 0.00 0.00 83 G 8.96 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 0.00 0.00 0.00 0.00 84 T 8.41 5.01 4.20 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 1.15 0.00 0.00 85 A 8.76 4.66 0.20 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 0.00 0.00 *87 A 8.24 4.43 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.69 4.51 0.00 1.67 1.67 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.46 7.81 89 G 8.09 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 90 S 8.85 5.20 0.00 3.90 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 91 D 8.01 5.29 0.00 2.73 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.98 4.55 1.81 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.65 0.81 0.00 0.00 93 V 8.25 4.54 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 1.01 0.00 0.00 0.90 0.00 0.00 94 V 8.03 4.54 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 1.02 0.00 0.00 0.73 0.00 0.00 95 G 8.70 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 96 S 9.00 4.40 0.00 4.00 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 97 D 8.15 5.06 0.00 2.78 2.53 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 98 T 8.16 5.19 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 1.26 0.00 0.00 99 S 9.09 5.02 0.00 3.65 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 0.00 100 T 8.87 4.93 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 1.26 0.00 0.00 101 V 8.78 4.01 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 0.75 0.00 0.00 0.93 0.00 0.00 102 I 8.83 4.28 2.10 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 1.20 1.05 1.01 0.00 0.00 103 Y 7.70 4.98 0.00 3.14 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 0.00 104 T 7.61 4.92 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 1.13 0.00 0.00 105 D 8.60 4.48 0.00 2.94 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 0.00 106 G 8.23 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 0.00 0.00 0.00 107 K 8.26 4.37 0.00 2.06 1.77 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.49 7.81 108 T 9.01 4.76 4.40 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 1.30 0.00 0.00 109 C 8.36 5.58 0.00 3.08 3.15 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 0.00 110 D 9.21 5.18 0.00 2.60 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 0.00 111 V 9.23 5.12 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 1.31 0.00 0.00 1.19 0.00 0.00 112 V 9.05 5.06 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 0.64 0.00 0.00 1.17 0.00 0.00 113 K 9.08 4.88 0.00 1.91 1.73 0.00 1.48 0.00 0.00 1.84 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.45 7.81 114 H 9.49 5.00 0.00 3.26 3.27 0.00 5.81 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 9.69 4.20 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 0.00 0.00 0.00 116 G 8.19 3.97 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 0.00 117 H 7.95 4.80 0.00 3.43 3.26 0.00 5.60 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.60 5.15 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 1.16 0.00 0.00 119 E 9.52 5.27 0.00 2.20 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 2.27 2.40 0.00 120 L 8.63 5.05 0.00 0.79 0.69 0.79 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 121 W 9.30 5.21 0.00 3.41 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 0.00 122 V 8.89 4.80 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 1.04 0.00 0.00 0.22 0.00 0.00 123 H 9.14 3.92 0.00 2.62 2.97 0.00 5.65 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 S 8.15 4.26 0.00 4.02 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 0.00 125 S 7.87 4.36 0.00 4.04 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 0.00 126 K 8.29 4.70 0.00 1.84 1.96 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.40 1.58 7.81 127 T 8.21 3.68 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 1.11 0.00 0.00 128 S 7.88 4.19 0.00 4.01 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 0.00 129 G 8.82 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 0.00 130 G 8.36 3.74 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 0.00 0.00 0.00 131 Y 7.11 4.38 0.00 3.16 3.07 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 0.00 132 N 9.12 4.42 0.00 3.07 2.98 0.00 0.00 7.40 6.22 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 0.00 133 N 8.73 4.53 0.00 2.98 2.95 0.00 0.00 6.25 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 0.00 134 C 8.56 4.02 0.00 2.01 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 0.00 0.00 0.00 0.00 135 C 8.28 4.28 0.00 3.39 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 0.00 136 D 8.11 4.47 0.00 2.90 2.80 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 0.00 0.00 0.00 137 K 7.93 3.96 0.00 1.93 2.00 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.61 7.81 138 K 8.34 4.04 0.00 1.90 1.97 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.25 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.62 7.81 139 F 8.57 4.23 0.00 3.25 3.32 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 0.00 140 T 8.07 3.72 4.40 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 1.21 0.00 0.00 141 E 8.12 3.98 0.00 2.08 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 0.00 2.35 2.48 0.00 142 T 7.68 4.07 4.20 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 1.23 0.00 0.00 143 R 8.00 3.97 0.00 1.82 1.66 0.00 2.87 0.00 0.00 2.25 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.43 0.00 144 G 7.81 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 0.00 0.00 0.00 145 S 8.64 4.32 0.00 3.98 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 0.00 146 T 7.43 4.13 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 1.22 0.00 0.00 147 P 0.00 4.52 0.00 2.08 1.98 0.00 3.59 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 148 A 8.53 4.76 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 0.00 149 N 9.13 5.08 0.00 2.69 2.68 0.00 0.00 7.10 7.26 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 0.00 150 E 8.85 4.63 0.00 1.84 1.87 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 2.32 2.25 0.00 151 V 8.66 4.10 2.23 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 1.07 0.00 0.00 0.86 0.00 0.00 152 Y 8.02 4.52 0.00 2.83 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 0.00 153 K 7.38 4.15 0.00 1.75 1.54 0.00 2.07 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.25 1.36 7.81 154 K 8.21 3.58 0.00 1.73 1.70 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 1.33 7.81 155 C 6.91 4.60 0.00 1.97 2.37 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 0.00 156 P 0.00 4.63 0.00 2.22 2.10 0.00 3.79 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 2.09 2.13 0.00 157 G 8.33 4.05 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 0.00 *159 P 0.00 4.08 0.00 1.98 1.92 0.00 2.86 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.76 0.00 * Residues marked with a * may have inaccurate shift predictions.