NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 47 C 4.6001 8.5545 120.6386 56.5314 46.0951 172.0585 *53 R 4.1810 8.3111 123.6983 55.5982 30.5221 175.9141 54 R 3.8611 9.0099 107.4649 58.5191 25.8891 176.0465 55 I 3.8549 7.8560 121.9361 63.3119 39.0335 175.7723 56 Y 4.5406 7.6612 120.5156 54.9863 37.5294 174.0795 57 P 4.3620 0.0000 0.0000 65.0507 31.7716 178.0579 58 K 4.4271 8.1630 116.4418 55.8093 32.4836 178.0854 59 G 3.8509 7.9335 109.9127 44.1176 0.0000 171.8746 60 P 4.0303 0.0000 0.0000 62.9970 32.0286 175.6733 61 L 4.7532 8.5939 125.9750 52.9194 44.2853 175.0380 62 L 3.6771 8.6680 128.8643 55.3796 41.8389 176.6358 63 V 4.3055 8.5669 119.4952 61.0784 33.5349 175.7487 64 L 4.9374 7.2589 118.5972 51.7126 45.5847 175.5823 65 P 4.3216 0.0000 0.0000 65.7839 31.2111 177.2523 66 E 4.4317 7.6674 116.9022 56.8393 29.1802 177.0954 67 K 4.4502 8.1131 113.8216 57.4712 30.7174 174.8289 68 I 4.8029 7.0490 119.5250 60.3341 38.6606 174.8346 69 Y 5.1461 9.1533 124.9260 56.1260 41.5134 174.5394 70 L 5.3892 8.5781 122.2019 52.7967 46.0933 174.5392 71 Y 4.5781 7.9043 123.8872 56.5770 42.3147 174.9100 72 S 4.6505 7.0922 117.6840 57.7431 65.3554 172.3810 73 E 4.0016 8.2072 121.8406 56.2242 29.6424 176.0200 74 P 5.2946 0.0000 0.0000 61.6368 33.7221 175.3688 75 T 4.3260 8.6617 111.2249 60.5387 70.5590 175.8930 76 V 3.5700 8.5892 122.2683 66.4848 31.6865 178.4638 77 K 4.0154 8.1826 118.3732 59.5771 31.6192 178.9972 78 E 4.0702 7.8999 117.5289 59.2434 29.5652 178.9946 79 L 4.3811 7.9015 118.1543 56.7108 41.4493 179.1322 80 L 3.9886 7.6668 119.0203 57.4946 41.5705 176.9402 81 P 4.2088 0.0000 0.0000 63.8053 31.4203 176.3863 82 F 4.5936 7.4870 116.9622 56.5753 40.5652 175.3676 83 D 4.6810 8.9009 123.0487 56.2127 42.2846 176.6626 84 V 4.7845 7.7733 117.8028 60.9601 34.5286 174.3046 85 V 4.5637 8.2630 126.7714 61.0536 34.9325 173.9425 86 I 4.3381 8.9583 129.3789 59.5034 39.9871 174.2355 87 N 4.4387 8.8420 127.9076 51.8941 39.7586 175.0618 88 V 4.0691 8.0987 119.9412 59.9312 33.0091 175.6387 89 A 4.7489 8.0032 122.8836 49.8840 20.8923 177.9525 90 E 3.9982 8.9980 122.0864 59.3855 29.7214 178.4527 91 E 4.1152 8.1308 115.4929 57.6052 30.3680 176.6290 92 A 4.2087 7.6523 123.4748 51.6391 18.7585 176.8345 93 N 4.1093 8.2016 120.3165 53.9875 39.1868 174.2085 94 D 4.6821 8.5997 121.6834 53.4814 41.6579 175.5810 95 L 4.8957 8.0724 125.7536 53.6188 41.8987 179.0524 96 R 3.4469 7.2396 118.1782 58.9259 29.4416 178.0223 97 M 4.1153 7.7427 117.7445 57.7857 32.2461 177.1274 98 Q 4.3105 7.8024 115.9847 56.6219 30.0371 175.2991 99 V 4.6663 7.2470 111.0703 58.5383 31.7749 174.3032 100 P 4.1526 0.0000 0.0000 65.4292 31.8063 178.4282 101 A 4.1783 7.9587 118.8423 52.9331 18.4297 176.6334 102 V 4.4305 7.1457 116.4973 61.0740 33.6981 176.2984 103 E 4.3389 8.9777 128.7206 55.8586 28.1436 174.0320 104 Y 4.4346 8.0498 124.2027 57.0665 40.5488 173.8599 105 H 4.7346 8.2703 122.0357 54.3905 33.1524 171.8123 106 H 5.1852 8.7126 122.6063 54.6386 31.3904 171.7242 107 Y 4.2002 8.4972 124.6401 55.9179 38.9227 176.9843 108 R 4.5491 8.1545 127.6076 55.3287 28.1160 176.9500 109 W 4.5747 7.9034 120.3658 56.5526 30.7600 177.6624 110 E 4.6339 8.9134 125.8680 55.3419 30.2227 176.8207 111 H 4.2796 8.7925 119.1350 57.9602 28.8333 176.1064 112 D 4.9423 7.4139 117.8777 52.9864 39.5982 176.5937 113 S 4.4387 7.7133 114.7664 58.7761 64.7134 174.6453 114 Q 4.3810 8.1346 122.0740 55.3178 27.8436 177.8716 115 I 3.1292 7.1099 113.2949 63.6187 37.8119 177.5120 116 A 3.8868 8.2360 122.7252 54.8866 17.8585 179.5144 117 L 4.0773 7.5538 116.8236 57.9052 41.9889 178.8295 118 D 4.5584 8.0241 118.0418 56.1113 40.8379 178.7791 119 L 3.6841 7.2306 119.3727 56.7739 41.2920 177.4490 120 P 4.4385 0.0000 0.0000 65.9458 31.2745 178.6187 121 S 4.1864 7.9885 113.9250 61.0644 63.1595 176.1600 122 L 3.8607 7.7068 123.2919 57.4641 41.2868 179.6902 123 T 4.0946 8.2985 110.3676 64.9280 68.7393 176.7215 124 S 4.5708 8.0594 118.3366 60.1583 62.9325 176.5087 125 I 3.6899 7.5872 123.2494 64.3127 37.1350 178.0900 126 I 3.6669 7.4816 120.2392 64.4728 36.9283 177.6837 127 H 3.8355 8.3965 119.2635 59.4151 29.0859 176.6087 128 A 3.9255 8.2892 122.4635 55.5568 18.0307 179.3363 129 A 4.2615 7.8617 118.5094 54.7070 18.6631 179.8661 130 T 3.8577 7.6203 108.6291 64.9548 68.8450 176.9568 131 T 3.9424 7.6923 111.9314 63.9387 68.7986 175.7055 132 K 4.3721 7.4231 118.0082 55.0890 32.2201 176.4943 133 R 3.8599 7.6924 116.3475 57.1111 28.3427 176.3467 134 E 4.4215 8.1674 116.0788 56.1263 30.7855 176.7217 135 K 4.4878 10.3211 123.0023 55.9643 33.5616 175.9210 136 I 4.9703 8.9617 126.4358 59.3056 40.1125 174.3499 137 L 4.7099 8.7214 129.2164 53.3038 44.4069 175.1221 138 I 4.5748 8.3373 128.8114 60.0863 38.6396 174.5637 139 H 5.3376 8.6850 123.1857 53.5503 31.5098 173.0717 140 S 4.9432 8.1762 114.7893 58.4970 65.5752 174.5382 141 Q 4.1899 8.9433 116.4484 58.7395 29.7031 179.0324 142 C 4.8664 8.2487 112.1616 55.6019 42.1384 173.9006 143 G 4.1006 8.3278 107.5473 46.6168 0.0000 174.6575 144 L 4.6323 8.2222 119.3841 55.3206 43.7755 176.8579 145 S 4.6625 7.3823 109.0981 59.3468 65.6171 175.6793 146 R 4.2169 8.0147 118.7246 59.2771 29.9118 179.3258 147 S 4.1970 8.0686 113.3306 61.2940 63.4759 175.9259 148 A 4.0420 8.1543 124.2809 55.2111 17.9937 179.4253 149 T 3.8577 8.1080 113.8973 66.8595 68.5544 176.4467 150 L 4.0708 7.7108 120.7066 58.2427 42.0506 179.0848 151 I 3.7724 7.7607 119.4181 64.4574 37.0636 178.1458 152 I 3.7737 8.3463 120.7984 64.7621 37.1184 178.2867 153 A 4.3258 8.6078 121.6211 55.2334 18.0940 179.0142 154 Y 4.3551 8.6304 118.5069 61.1457 38.9137 178.1857 155 I 3.4648 8.0875 120.7027 64.7831 37.4007 178.0245 156 M 4.0057 8.3064 119.3315 58.3395 31.4001 178.7529 157 K 3.7823 7.7496 118.3991 59.2906 32.1852 177.9020 158 Y 4.3670 7.7063 114.8836 58.8201 38.0236 176.3369 159 H 4.6699 8.2623 116.0528 54.1755 30.2150 173.6091 160 N 4.0965 7.4120 117.2349 54.6732 37.7210 172.7559 161 L 4.7256 7.2684 116.2063 53.2195 44.7153 176.6065 162 S 4.8584 8.1290 113.4963 56.7765 66.5942 174.2895 163 L 3.9574 9.0905 124.2516 58.5535 41.6140 179.3742 164 R 3.9135 7.8544 117.7957 59.8203 30.2233 178.0602 165 H 4.3283 7.9049 115.9345 58.9264 28.7116 177.9985 166 S 4.1321 8.8427 117.3004 61.8228 62.6904 175.9117 167 Y 4.1253 8.1775 122.1158 61.0555 38.4777 178.1680 168 D 4.3090 8.4893 119.6505 57.1722 40.7246 178.3799 169 L 3.9223 8.2026 120.1774 58.0583 42.3847 178.5827 170 L 4.0329 7.8882 120.1023 58.0777 41.6079 178.5712 171 K 4.0048 8.0635 121.2410 58.8749 31.7674 178.6133 172 S 3.8780 7.8768 112.8887 60.4262 62.8106 174.9756 173 R 4.2417 7.2787 119.6207 56.8578 31.6470 175.8258 174 A 4.5645 8.3113 123.7900 50.4662 18.4950 176.4116 175 D 4.4455 8.4040 121.2281 56.9860 41.7012 177.3117 176 K 4.3050 7.7949 116.2529 56.3587 32.5852 176.9297 177 I 4.0060 7.3782 113.0533 61.3282 38.3044 176.3027 178 N 5.0647 8.4741 119.6056 52.0299 40.3078 171.5240 179 P 4.3858 0.0000 0.0000 61.9203 32.7267 177.4567 180 S 4.3637 8.4711 117.9669 58.0911 64.9448 175.7998 181 I 3.4358 8.0932 123.2095 64.2395 36.8704 178.6955 182 G 3.7867 8.0141 106.1069 48.1522 0.0000 175.5202 183 L 3.9914 7.4291 120.9846 57.2051 41.5729 179.7434 184 I 3.6530 7.3713 119.7530 64.3456 36.9871 178.3677 185 F 4.5259 7.8743 118.8226 60.6405 38.5109 177.4543 186 Q 4.0068 8.2579 117.6576 59.3692 28.7171 179.3176 187 L 4.1278 8.4189 119.8673 58.1445 41.6869 179.6648 188 M 4.1808 8.1921 118.8151 58.4177 31.8637 178.5642 189 E 4.0417 8.1982 118.4592 59.1388 29.5816 179.1533 190 W 4.5199 8.1313 128.4645 60.3470 30.7071 177.7467 191 E 3.6950 8.1835 118.9285 59.1393 29.1744 178.7012 192 V 3.5211 7.6486 117.8351 66.1049 31.2806 177.8112 193 A 3.9274 8.1044 119.3783 55.1618 18.3023 179.2997 194 L 3.6755 7.3126 116.3447 57.9041 41.6791 179.2879 195 N 4.3884 7.8945 115.1667 55.0559 38.6356 175.5475 196 A 4.0260 7.1507 124.2302 52.2648 19.3153 178.0858 *197 K 4.1283 8.3498 119.5950 55.0041 32.4811 175.2269 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 47 C 8.55 4.60 0.00 2.97 3.09 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 *53 R 8.31 4.18 0.00 1.90 0.94 0.00 3.47 0.00 0.00 3.26 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 54 R 9.01 3.86 0.00 1.93 1.81 0.00 3.23 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.16 0.00 55 I 7.86 3.85 1.86 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 1.41 1.07 0.95 0.00 0.00 56 Y 7.66 4.54 0.00 3.28 3.34 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 57 P 0.00 4.36 0.00 2.21 2.21 0.00 3.77 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 2.03 2.00 0.00 58 K 8.16 4.43 0.00 1.84 1.91 0.00 1.90 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.40 7.81 59 G 7.93 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 0.00 0.00 0.00 60 P 0.00 4.03 0.00 1.85 1.74 0.00 3.32 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.71 0.00 61 L 8.59 4.75 0.00 1.99 1.64 1.03 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.67 3.68 0.00 1.12 1.40 0.45 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 63 V 8.57 4.31 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 0.85 0.00 0.00 0.97 0.00 0.00 64 L 7.26 4.94 0.00 1.65 1.70 1.13 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.32 0.00 2.23 2.32 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.02 0.00 66 E 7.67 4.43 0.00 2.20 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 2.44 2.39 0.00 67 K 8.11 4.45 0.00 2.14 2.03 0.00 1.89 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.41 7.81 68 I 7.05 4.80 1.79 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 1.04 0.87 0.81 0.00 0.00 69 Y 9.15 5.15 0.00 2.92 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 70 L 8.58 5.39 0.00 1.70 1.44 0.98 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 7.90 4.58 0.00 2.74 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.09 4.65 0.00 3.90 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 73 E 8.21 4.00 0.00 2.04 1.80 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 2.24 2.20 0.00 74 P 0.00 5.29 0.00 2.15 2.23 0.00 3.57 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.74 0.00 75 T 8.66 4.33 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 1.23 0.00 0.00 76 V 8.59 3.57 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 0.97 0.00 0.00 0.91 0.00 0.00 77 K 8.18 4.02 0.00 1.81 1.85 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.48 7.81 78 E 7.90 4.07 0.00 2.12 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 2.38 2.42 0.00 79 L 7.90 4.38 0.00 2.11 1.80 0.91 0.49 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 80 L 7.67 3.99 0.00 1.63 1.72 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.21 0.00 1.25 1.76 0.00 3.69 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.92 0.00 82 F 7.49 4.59 0.00 3.10 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 83 D 8.90 4.68 0.00 2.72 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 84 V 7.77 4.78 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 1.07 0.00 0.00 1.07 0.00 0.00 85 V 8.26 4.56 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 0.68 0.00 0.00 0.83 0.00 0.00 86 I 8.96 4.34 1.64 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.75 0.70 0.00 0.00 87 N 8.84 4.44 0.00 2.26 2.45 0.00 0.00 6.64 7.63 0.00 0.00 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 V 8.10 4.07 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 0.07 0.00 0.00 0.82 0.00 0.00 89 A 8.00 4.75 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 90 E 9.00 4.00 0.00 2.15 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 0.00 2.52 2.35 0.00 91 E 8.13 4.12 0.00 2.13 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 2.48 2.27 0.00 92 A 7.65 4.21 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 93 N 8.20 4.11 0.00 2.84 2.80 0.00 0.00 6.96 7.72 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 94 D 8.60 4.68 0.00 2.75 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 4.90 0.00 1.65 1.43 0.88 1.08 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 96 R 7.24 3.45 0.00 1.72 1.67 0.00 3.00 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.46 0.00 97 M 7.74 4.12 0.00 1.96 2.07 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 2.54 2.41 0.00 98 Q 7.80 4.31 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 99 V 7.25 4.67 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 0.88 0.00 0.00 0.91 0.00 0.00 100 P 0.00 4.15 0.00 2.15 2.15 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 101 A 7.96 4.18 1.30 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 0.00 0.00 102 V 7.15 4.43 2.30 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 0.97 0.00 0.00 1.09 0.00 0.00 103 E 8.98 4.34 0.00 2.11 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 2.34 2.27 0.00 104 Y 8.05 4.43 0.00 2.95 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 0.00 105 H 8.27 4.73 0.00 2.96 3.11 0.00 5.61 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 H 8.71 5.19 0.00 3.21 3.16 0.00 5.73 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.50 4.20 0.00 2.34 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 0.00 108 R 8.15 4.55 0.00 1.72 1.92 0.00 3.21 0.00 0.00 3.22 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.40 0.00 109 W 7.90 4.57 0.00 3.50 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.91 4.63 0.00 2.09 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 2.40 2.43 0.00 111 H 8.79 4.28 0.00 3.19 3.37 0.00 5.91 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 0.00 112 D 7.41 4.94 0.00 2.88 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 0.00 113 S 7.71 4.44 0.00 3.73 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 0.00 114 Q 8.13 4.38 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.88 0.00 0.00 0.00 0.00 0.00 2.41 2.26 0.00 115 I 7.11 3.13 0.56 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.40 -0.76 0.00 0.00 116 A 8.24 3.89 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 0.00 117 L 7.55 4.08 0.00 1.77 1.77 0.94 0.89 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 0.00 118 D 8.02 4.56 0.00 3.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.23 3.68 0.00 1.05 0.19 0.19 0.67 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 0.00 120 P 0.00 4.44 0.00 2.39 2.58 0.00 3.57 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 121 S 7.99 4.19 0.00 4.14 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 0.00 122 L 7.71 3.86 0.00 1.67 1.57 0.24 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 123 T 8.30 4.09 4.86 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 1.44 0.00 0.00 124 S 8.06 4.57 0.00 4.19 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 0.00 125 I 7.59 3.69 1.96 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 1.52 0.73 0.70 0.00 0.00 126 I 7.48 3.67 1.75 0.00 0.00 0.70 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 0.92 0.14 0.00 0.00 127 H 8.40 3.84 0.00 2.13 3.24 0.00 5.81 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 0.00 128 A 8.29 3.93 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 7.86 4.26 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 0.00 130 T 7.62 3.86 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 1.14 0.00 0.00 131 T 7.69 3.94 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 1.09 0.00 0.00 132 K 7.42 4.37 0.00 1.78 1.86 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.43 1.61 7.81 133 R 7.69 3.86 0.00 2.20 1.98 0.00 3.27 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.45 0.00 134 E 8.17 4.42 0.00 2.05 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 2.47 2.29 0.00 135 K 10.32 4.49 0.00 1.63 1.75 0.00 1.47 0.00 0.00 1.58 0.00 0.00 2.13 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.49 1.40 7.81 136 I 8.96 4.97 1.85 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 1.07 1.00 0.79 0.00 0.00 137 L 8.72 4.71 0.00 0.27 0.77 0.56 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 138 I 8.34 4.57 1.77 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 1.13 0.72 0.76 0.00 0.00 139 H 8.68 5.34 0.00 3.50 3.30 0.00 5.40 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 S 8.18 4.94 0.00 3.91 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 0.00 141 Q 8.94 4.19 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.74 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 142 C 8.25 4.87 0.00 3.01 3.10 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 0.00 143 G 8.33 4.10 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 0.00 144 L 8.22 4.63 0.00 1.80 1.73 1.01 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 145 S 7.38 4.66 0.00 3.89 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 0.00 146 R 8.01 4.22 0.00 1.99 2.30 0.00 3.61 0.00 0.00 3.46 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.79 0.00 147 S 8.07 4.20 0.00 4.02 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 A 8.15 4.04 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 0.00 149 T 8.11 3.86 4.57 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 1.21 0.00 0.00 150 L 7.71 4.07 0.00 1.89 1.80 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 151 I 7.76 3.77 2.05 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.59 0.97 0.00 0.00 152 I 8.35 3.77 2.14 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 1.57 0.72 1.06 0.00 0.00 153 A 8.61 4.33 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 0.00 154 Y 8.63 4.36 0.00 3.06 3.28 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 0.00 155 I 8.09 3.46 2.07 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 1.44 0.64 0.86 0.00 0.00 156 M 8.31 4.01 0.00 2.07 2.54 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.64 0.00 157 K 7.75 3.78 0.00 1.98 1.56 0.00 1.56 0.00 0.00 0.61 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.81 1.09 7.81 158 Y 7.71 4.37 0.00 2.44 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 0.00 159 H 8.26 4.67 0.00 3.20 3.34 0.00 6.00 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 N 7.41 4.10 0.00 2.76 2.80 0.00 0.00 7.03 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 0.00 161 L 7.27 4.73 0.00 1.79 1.67 0.97 0.76 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 0.00 162 S 8.13 4.86 0.00 4.14 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 0.00 163 L 9.09 3.96 0.00 1.77 1.75 1.00 1.04 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 0.00 164 R 7.85 3.91 0.00 1.87 1.79 0.00 3.19 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.69 0.00 165 H 7.90 4.33 0.00 3.20 3.33 0.00 5.68 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 0.00 166 S 8.84 4.13 0.00 3.95 3.99 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 0.00 167 Y 8.18 4.13 0.00 3.16 3.21 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 0.00 168 D 8.49 4.31 0.00 3.05 2.76 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 0.00 0.00 0.00 169 L 8.20 3.92 0.00 1.66 1.95 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 170 L 7.89 4.03 0.00 1.88 1.61 0.95 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 171 K 8.06 4.00 0.00 1.57 1.63 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.88 1.05 7.81 172 S 7.88 3.88 0.00 4.08 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 0.00 173 R 7.28 4.24 0.00 1.67 1.98 0.00 3.12 0.00 0.00 3.38 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 174 A 8.31 4.56 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 0.00 175 D 8.40 4.45 0.00 2.61 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 0.00 176 K 7.79 4.30 0.00 1.60 1.73 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.33 1.28 7.81 177 I 7.38 4.01 2.02 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.49 0.99 0.00 0.00 178 N 8.47 5.06 0.00 2.70 2.75 0.00 0.00 7.18 6.96 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 0.00 179 P 0.00 4.39 0.00 2.11 2.04 0.00 3.94 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00 180 S 8.47 4.36 0.00 4.05 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 I 8.09 3.44 1.71 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.33 0.29 0.00 0.00 182 G 8.01 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 0.00 183 L 7.43 3.99 0.00 1.71 1.68 0.86 0.89 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 0.00 184 I 7.37 3.65 1.59 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.99 0.74 0.00 0.00 185 F 7.87 4.53 0.00 3.22 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 0.00 186 Q 8.26 4.01 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.57 2.49 0.00 187 L 8.42 4.13 0.00 1.88 1.84 0.99 1.07 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 0.00 188 M 8.19 4.18 0.00 2.16 2.44 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.00 2.65 0.00 189 E 8.20 4.04 0.00 2.25 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 2.36 2.50 0.00 190 W 8.13 4.52 0.00 3.31 3.30 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 0.00 191 E 8.18 3.70 0.00 2.12 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 0.00 2.26 2.24 0.00 192 V 7.65 3.52 2.25 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 0.94 0.00 0.00 0.98 0.00 0.00 193 A 8.10 3.93 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 0.00 194 L 7.31 3.68 0.00 1.40 1.39 0.43 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 195 N 7.89 4.39 0.00 2.63 2.81 0.00 0.00 7.04 6.62 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 0.00 196 A 7.15 4.03 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 *197 K 8.35 4.13 0.00 1.54 1.64 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.