NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 33 L 4.3210 8.1429 120.7666 54.4310 43.7591 179.2175 34 S 4.1143 8.3028 119.4025 63.1132 61.9842 177.2548 35 Q 4.2973 8.3770 125.7535 60.8626 28.2869 180.7237 36 E 4.2252 8.0831 120.1303 60.9337 29.8845 181.0201 37 R 4.2156 8.4186 119.2561 59.2433 30.1303 179.3120 38 T 3.9033 8.1895 115.6868 66.4972 68.4430 176.6285 39 A 4.0094 8.2557 122.8957 54.9625 18.4072 179.5685 40 R 3.8791 8.1815 117.2918 59.6738 30.1010 178.6754 41 L 4.0525 7.9773 118.6715 58.0769 41.6562 179.3761 42 N 4.3362 8.1963 116.2648 56.0964 38.3829 177.0608 43 E 3.9513 8.3610 120.8916 59.1779 29.6473 178.7183 44 L 3.9758 8.0890 120.2971 58.2321 42.1852 178.7926 45 Q 3.9916 8.3186 118.2301 59.0960 28.4429 179.1257 46 R 3.9061 7.8910 117.4260 59.2317 30.2186 178.4874 47 A 4.2437 7.9262 119.0998 55.4349 18.4729 179.3760 48 L 4.1781 8.0160 116.2640 57.3381 43.3161 179.5661 49 V 3.9177 7.6550 118.9591 63.1325 27.2563 175.6284 *52 D 4.7926 7.7301 123.2923 54.3236 43.2986 178.6322 53 S 4.2304 8.1105 112.2011 61.4168 63.5555 175.5634 54 D 4.5801 8.2901 120.3779 57.1370 40.9704 178.5117 55 F 3.8778 7.8468 115.3156 59.5816 39.0411 176.9016 56 R 4.3091 7.6702 117.6068 57.5721 30.3512 176.5736 57 Q 4.7983 7.6104 117.8892 55.2524 29.7236 175.6792 58 I 4.2976 8.0426 119.5570 61.5552 37.8488 175.7829 59 A 4.5415 8.5028 128.9231 50.2818 20.5711 177.8931 60 L 4.1836 8.4889 124.4461 53.5844 40.4442 174.4658 61 R 4.3743 7.6305 119.2388 54.8138 32.8591 174.3819 62 Q 4.6802 8.6328 125.1657 56.1445 29.7944 175.3900 63 T 4.7552 9.0126 111.7310 60.3002 72.8424 172.8969 64 R 4.7560 8.3314 120.6829 54.8282 32.9899 176.0701 65 T 3.4384 8.3696 114.9151 63.8620 66.1538 172.1038 *72 K 4.3874 7.6854 119.2366 56.4033 33.2842 175.2884 73 K 4.7225 8.5545 120.6122 54.6113 36.3255 177.8355 74 L 3.9927 8.6856 120.4991 57.4867 41.8774 177.4261 75 L 4.9643 7.8292 116.5579 53.2320 44.3623 175.3513 76 H 4.9674 9.0304 120.9335 54.2607 31.0143 174.3388 77 W 5.6405 8.9677 133.1078 57.8100 32.3439 172.9638 78 A 4.1878 7.8263 127.0798 50.5516 21.7920 174.7744 79 D 4.0258 8.0537 119.2626 55.2423 42.1669 176.7796 80 Y 4.4250 9.0326 118.6950 57.9064 36.5280 169.7114 81 L 4.2281 7.3542 121.6540 56.3387 42.5693 176.9406 82 L 3.9158 9.3126 122.9951 55.6103 39.2070 173.8992 83 D 4.4789 8.2127 114.1530 55.0123 40.4504 173.7767 84 S 4.4836 7.9843 111.2358 58.1393 62.9937 174.7186 85 D 4.6935 9.4422 126.6603 55.6406 41.3612 177.2189 86 N 5.0603 8.2311 111.6882 53.1015 39.7268 178.1758 87 K 4.2036 8.9715 114.1918 55.7930 33.0302 174.8564 88 G 4.4660 8.8380 109.3071 44.6393 0.0000 171.3556 89 I 6.3000 8.9771 121.0560 57.9267 42.3030 173.8439 *91 F 5.0496 8.3617 117.4765 56.3285 39.5452 174.2776 92 A 4.7093 8.5331 121.5319 52.1078 19.6995 176.6396 93 R 5.2014 8.9691 116.5015 54.0927 33.8013 174.0791 94 L 4.0369 8.6585 123.4341 55.6090 41.9403 176.8355 95 G 3.6749 8.8005 115.3746 47.7447 0.0000 173.3609 96 W 4.9430 6.7416 116.1403 55.1532 31.2329 172.5631 97 H 4.9971 8.9039 118.6860 55.8143 28.8376 175.3367 98 N 5.0132 9.4993 121.6252 51.9146 39.6163 173.4904 99 P 4.3953 0.0000 0.0000 63.0778 31.6675 177.4571 100 Q 4.2862 8.6828 118.2753 59.1175 28.7317 177.8099 101 Q 4.1163 8.0581 115.9138 58.4596 29.0083 176.3640 102 Q 4.2984 8.3632 119.8859 55.2833 29.7928 174.4211 103 F 4.8126 8.5652 126.0111 55.4654 41.6333 173.3239 104 P 3.4008 0.0000 0.0000 62.0013 32.2348 176.3923 105 R 4.1147 8.3325 117.8235 58.3614 31.2730 176.8196 106 G 4.2201 7.8696 105.3570 44.3996 0.0000 172.9281 107 E 4.2998 8.6999 126.5185 54.6024 30.9063 174.7858 108 V 4.3458 8.1073 128.0105 62.1759 32.7533 175.3066 109 T 4.4563 8.4387 118.3699 59.8149 72.2432 172.7494 110 K 4.9081 8.3190 121.6230 54.7544 35.0794 175.3662 111 V 4.9971 8.4470 119.5885 59.7380 35.7200 174.8864 112 G 4.4556 9.1207 108.7109 45.1595 0.0000 171.0233 113 Y 5.4961 9.2419 117.7169 56.1282 41.9440 175.1609 114 R 5.1918 9.2175 118.7177 55.2439 34.2193 173.2913 115 I 5.0396 8.4510 119.1015 59.4618 39.9515 175.5253 116 K 4.6299 8.8277 127.2684 55.3622 33.9288 175.5653 117 D 4.5269 10.1152 129.4795 56.1135 38.2947 173.9936 118 E 4.6432 7.9254 110.6163 56.4260 27.9106 174.4041 119 R 5.1267 7.4601 116.7778 54.1415 33.5249 174.9475 120 L 4.7383 9.1217 126.7946 55.0169 43.3208 175.2469 121 E 5.1844 9.5374 126.2510 54.5364 33.1118 174.7805 122 R 4.2525 8.7565 124.3286 54.5002 32.1614 174.8407 123 V 4.5678 8.5223 126.5605 60.7157 34.5316 174.0317 124 W 5.1970 8.0749 135.0000 55.2893 34.3168 173.6788 125 W 4.5581 8.2238 126.2763 54.4328 31.5016 176.6762 126 R 2.8861 8.0721 124.5195 58.1067 29.8171 176.1469 127 Y 4.7383 7.2266 114.3598 55.0729 40.4508 174.0193 128 P 4.1692 0.0000 0.0000 65.0460 31.6661 176.2221 129 D 4.5933 7.7929 118.8916 52.5438 39.7479 174.1378 130 T 4.5382 7.5707 118.9651 60.4232 70.4679 172.3523 131 P 4.0523 0.0000 0.0000 66.3375 31.9160 177.8345 *134 Q 4.4328 7.9085 121.1029 54.4218 30.5924 178.7684 135 E 4.2983 8.3025 114.3690 55.7574 30.2042 179.0170 136 G 3.1405 8.3837 111.4247 43.5942 0.0000 173.1982 137 V 3.8929 8.4493 120.8719 62.3850 32.3315 174.8453 138 V 4.4955 8.2208 128.4716 61.8122 32.9747 174.9173 139 T 4.5864 8.8375 124.9666 60.8442 71.2571 171.5915 140 P 4.5512 0.0000 0.0000 62.9270 31.1676 175.5673 141 L 4.4141 8.9200 128.2413 56.6474 43.5819 176.8257 142 L 4.6511 7.5324 119.4259 54.3042 45.1836 174.9890 143 S 4.6435 9.3912 121.9690 58.2509 64.8805 173.1992 144 D 4.2643 8.4385 118.0522 55.8718 38.1150 174.4073 145 V 4.6726 8.0691 119.2702 61.4573 33.2856 176.7195 146 E 4.2563 9.2865 129.2042 58.8208 30.8528 176.5840 147 E 4.9586 8.0701 118.5920 54.5645 33.5347 173.4141 148 L 5.2792 8.6640 127.3231 53.4218 44.2980 174.8487 149 N 5.4920 9.5430 124.1768 52.0194 43.0682 172.9713 150 V 4.3916 7.8524 122.6456 61.0018 34.3203 174.5648 151 R 4.5843 8.1578 125.5815 54.2453 34.2919 174.5679 152 F 5.2596 9.2076 118.7152 56.0844 43.4537 173.2502 153 Y 4.3783 8.8543 125.7036 55.7917 39.8733 175.3015 154 D 4.7340 8.2119 125.9204 53.0889 39.7728 177.0300 155 G 3.8956 7.3057 109.7536 45.1314 0.0000 174.7278 156 K 4.2734 7.3112 115.6489 57.5155 34.7037 175.8174 157 Q 4.6494 8.4259 115.9537 53.7006 32.6342 174.1087 158 W 5.1028 8.8979 120.2221 56.6081 30.1299 175.7279 159 I 4.9586 9.3937 117.2332 59.6591 40.7591 175.5643 160 N 4.9025 9.1744 118.1753 53.9959 39.3615 175.2355 161 E 5.0991 8.2885 115.7047 54.2426 33.4448 175.1325 162 W 4.3623 8.3115 129.8559 55.9021 31.6772 174.4190 163 S 4.4469 7.7526 118.7443 57.5932 62.8065 173.3689 164 N 4.3339 6.5143 119.8218 53.1952 38.6770 174.4878 165 E 4.4477 8.6393 124.6394 56.7653 30.5633 176.7087 166 L 4.5253 8.0147 118.0737 55.1994 42.9494 176.0852 167 T 4.9654 7.7107 110.9826 60.1055 70.5451 172.9182 168 L 4.3651 8.2618 126.1071 52.8980 42.9107 175.1539 169 P 3.6259 0.0000 0.0000 62.0516 32.1248 176.4168 170 A 4.1906 7.9485 121.1099 54.8459 19.4222 177.2712 171 A 5.1301 7.6497 114.6878 50.6055 23.3454 175.2757 172 I 5.0361 8.8386 119.4954 59.5566 41.5605 174.4575 173 S 4.7528 8.9666 121.6645 56.4189 64.5751 172.6244 174 V 4.2705 8.2673 128.0870 61.3467 33.1619 174.1454 175 E 4.9660 9.0648 128.1114 54.5286 32.3966 174.8230 176 L 5.0882 9.0432 125.3434 53.2972 44.5338 175.8356 177 T 4.8658 8.5852 121.4183 62.1930 69.6270 174.1073 178 L 4.6999 8.8132 127.9150 53.8574 42.7706 178.4797 179 K 4.8187 9.0487 124.1233 59.0710 32.3187 177.8501 180 D 4.4418 8.1143 118.2579 55.5823 40.1312 177.2294 181 Y 4.3823 7.7423 115.7687 57.6468 39.2739 177.5497 182 G 3.8573 8.1413 107.8508 44.9402 0.0000 172.0960 183 K 4.8088 8.5383 124.1422 56.1051 33.0783 177.3969 184 I 4.7368 9.1671 120.6846 59.0956 40.8456 174.2635 185 A 5.0474 8.3183 124.5245 50.4059 22.4509 175.4129 186 R 4.2869 8.5533 119.2400 54.4994 33.7839 174.6307 187 T 4.6244 7.9585 119.9417 62.2171 70.2654 173.7196 188 Y 4.8293 8.8308 123.4237 56.1283 41.8203 174.6751 189 L 5.0068 8.6749 122.9466 54.1666 43.1435 176.3056 190 T 4.6678 8.0388 112.9255 59.1424 71.1641 172.6987 191 P 4.4147 0.0000 0.0000 62.4491 32.1028 176.3348 192 E 4.1044 8.3755 120.6610 56.5969 30.1702 175.3808 193 G 4.2708 7.8234 105.8039 43.5373 0.0000 172.7794 194 N 5.3360 8.2547 118.0751 51.2996 42.1145 174.0974 195 L 4.5923 9.0804 124.5034 54.3210 44.3080 177.4883 196 Q 4.3391 8.3821 119.0819 55.9136 28.1227 174.3988 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 33 L 8.14 4.32 0.00 1.59 1.74 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.30 4.11 0.00 3.81 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 35 Q 8.38 4.30 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.00 0.00 36 E 8.08 4.23 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.97 0.00 37 R 8.42 4.22 0.00 1.86 2.05 0.00 3.09 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 38 T 8.19 3.90 4.44 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 1.22 0.00 0.00 39 A 8.26 4.01 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 40 R 8.18 3.88 0.00 1.97 2.16 0.00 3.27 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 1.79 1.92 0.00 41 L 7.98 4.05 0.00 1.92 1.72 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.20 4.34 0.00 2.92 2.88 0.00 0.00 6.68 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 43 E 8.36 3.95 0.00 2.17 2.21 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 2.35 2.35 0.00 44 L 8.09 3.98 0.00 1.86 1.86 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.32 3.99 0.00 2.27 2.15 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 2.37 2.58 0.00 46 R 7.89 3.91 0.00 2.00 2.02 0.00 3.18 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 47 A 7.93 4.24 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 48 L 8.02 4.18 0.00 1.81 1.78 0.89 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.66 3.92 2.27 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 1.06 0.00 0.00 0.99 0.00 0.00 *52 D 7.73 4.79 0.00 3.16 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 53 S 8.11 4.23 0.00 4.06 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.29 4.58 0.00 2.79 2.81 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 55 F 7.85 3.88 0.00 1.51 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.67 4.31 0.00 2.06 2.05 0.00 3.22 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.93 0.00 57 Q 7.61 4.80 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.00 0.00 0.00 0.00 0.00 0.00 2.29 2.51 0.00 58 I 8.04 4.30 1.74 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.26 0.81 0.00 0.00 59 A 8.50 4.54 1.18 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 0.00 0.00 60 L 8.49 4.18 0.00 1.60 1.62 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 61 R 7.63 4.37 0.00 1.73 1.75 0.00 3.31 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.67 0.00 62 Q 8.63 4.68 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 63 T 9.01 4.76 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 1.22 0.00 0.00 64 R 8.33 4.76 0.00 1.62 1.83 0.00 3.13 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 65 T 8.37 3.44 4.03 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 0.00 0.00 0.00 1.05 0.00 0.00 *72 K 7.69 4.39 0.00 1.77 1.78 0.00 1.68 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.46 7.81 73 K 8.55 4.72 0.00 1.33 1.53 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.37 7.81 74 L 8.69 3.99 0.00 1.74 1.78 1.05 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.83 4.96 0.00 1.59 1.72 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 76 H 9.03 4.97 0.00 3.23 3.32 0.00 5.63 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 W 8.97 5.64 0.00 3.60 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 78 A 7.83 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.05 4.03 0.00 1.87 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 80 Y 9.03 4.43 0.00 3.16 2.98 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 81 L 7.35 4.23 0.00 1.92 1.60 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 82 L 9.31 3.92 0.00 1.95 1.88 1.13 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.21 4.48 0.00 2.88 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 84 S 7.98 4.48 0.00 4.13 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 85 D 9.44 4.69 0.00 2.63 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 86 N 8.23 5.06 0.00 2.72 2.06 0.00 0.00 6.29 7.20 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 87 K 8.97 4.20 0.00 1.42 0.74 0.00 0.61 0.00 0.00 1.14 0.00 0.00 2.73 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.12 1.06 7.81 88 G 8.84 4.47 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 0.00 89 I 8.98 6.30 2.45 0.00 0.00 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 1.42 2.69 1.49 0.00 0.00 *91 F 8.36 5.05 0.00 3.18 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 92 A 8.53 4.71 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 93 R 8.97 5.20 0.00 2.10 2.20 0.00 2.91 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 94 L 8.66 4.04 0.00 1.62 1.61 0.81 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.80 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 96 W 6.74 4.94 0.00 3.40 3.35 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 97 H 8.90 5.00 0.00 3.15 3.35 0.00 5.89 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 N 9.50 5.01 0.00 2.87 2.97 0.00 0.00 7.02 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 99 P 0.00 4.40 0.00 2.41 2.24 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 2.14 2.02 0.00 100 Q 8.68 4.29 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.15 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 101 Q 8.06 4.12 0.00 2.22 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 102 Q 8.36 4.30 0.00 2.06 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.61 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 103 F 8.57 4.81 0.00 2.99 2.94 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 0.00 104 P 0.00 3.40 0.00 2.08 1.38 0.00 3.69 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.66 0.00 105 R 8.33 4.11 0.00 1.77 2.05 0.00 3.56 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.64 0.00 106 G 7.87 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 0.00 107 E 8.70 4.30 0.00 1.85 1.12 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 1.95 1.73 0.00 108 V 8.11 4.35 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.83 0.00 0.00 109 T 8.44 4.46 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 0.88 0.00 0.00 110 K 8.32 4.91 0.00 1.67 1.54 0.00 1.12 0.00 0.00 1.48 0.00 0.00 2.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.35 7.81 111 V 8.45 5.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.25 0.00 0.00 112 G 9.12 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 9.24 5.50 0.00 3.23 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 0.00 114 R 9.22 5.19 0.00 1.94 2.12 0.00 2.80 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 115 I 8.45 5.04 1.96 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.22 0.98 0.00 0.00 116 K 8.83 4.63 0.00 1.79 1.67 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.28 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.45 7.81 117 D 10.12 4.53 0.00 2.85 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 E 7.93 4.64 0.00 2.19 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 2.34 2.29 0.00 119 R 7.46 5.13 0.00 1.87 1.83 0.00 3.14 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 120 L 9.12 4.74 0.00 1.86 1.66 1.23 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.54 5.18 0.00 1.91 1.76 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 2.22 2.24 0.00 122 R 8.76 4.25 0.00 1.51 1.56 0.00 3.07 0.00 0.00 2.92 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.24 0.00 123 V 8.52 4.57 1.69 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 0.04 0.00 0.00 0.82 0.00 0.00 124 W 8.07 5.20 0.00 3.19 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 0.00 125 W 8.22 4.56 0.00 3.01 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 0.00 126 R 8.07 2.89 0.00 1.54 1.54 0.00 3.17 0.00 0.00 3.59 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.50 0.00 127 Y 7.23 4.74 0.00 2.94 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 0.00 128 P 0.00 4.17 0.00 2.10 2.09 0.00 3.80 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 129 D 7.79 4.59 0.00 2.62 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 0.00 130 T 7.57 4.54 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 1.20 0.00 0.00 131 P 0.00 4.05 0.00 2.17 2.07 0.00 3.80 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 2.00 1.96 0.00 *134 Q 7.91 4.43 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.96 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 135 E 8.30 4.30 0.00 1.98 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.87 0.00 136 G 8.38 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 0.00 0.00 0.00 137 V 8.45 3.89 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 0.79 0.00 0.00 1.02 0.00 0.00 138 V 8.22 4.50 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 0.80 0.00 0.00 0.83 0.00 0.00 139 T 8.84 4.59 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 1.17 0.00 0.00 140 P 0.00 4.55 0.00 2.08 2.09 0.00 3.72 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 141 L 8.92 4.41 0.00 1.68 1.92 0.97 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 0.00 142 L 7.53 4.65 0.00 1.84 1.53 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 143 S 9.39 4.64 0.00 4.03 3.87 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 0.00 144 D 8.44 4.26 0.00 2.87 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 0.00 145 V 8.07 4.67 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 1.07 0.00 0.00 1.04 0.00 0.00 146 E 9.29 4.26 0.00 1.99 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 2.50 2.28 0.00 147 E 8.07 4.96 0.00 2.04 1.76 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 2.33 2.40 0.00 148 L 8.66 5.28 0.00 1.80 1.70 1.02 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 149 N 9.54 5.49 0.00 2.88 2.68 0.00 0.00 6.19 7.73 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 0.00 150 V 7.85 4.39 0.67 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 0.06 0.00 0.00 0.42 0.00 0.00 151 R 8.16 4.58 0.00 1.46 1.87 0.00 2.96 0.00 0.00 2.91 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.33 0.00 152 F 9.21 5.26 0.00 3.29 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 0.00 153 Y 8.85 4.38 0.00 1.43 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 D 8.21 4.73 0.00 2.93 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 0.00 155 G 7.31 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 0.00 0.00 0.00 156 K 7.31 4.27 0.00 1.71 1.79 0.00 1.47 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.16 1.41 7.81 157 Q 8.43 4.65 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.05 0.00 0.00 0.00 0.00 0.00 2.16 2.36 0.00 158 W 8.90 5.10 0.00 3.32 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 0.00 159 I 9.39 4.96 2.05 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 1.68 1.21 1.01 0.00 0.00 160 N 9.17 4.90 0.00 2.92 3.15 0.00 0.00 6.67 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 E 8.29 5.10 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 162 W 8.31 4.36 0.00 2.01 2.40 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 0.00 163 S 7.75 4.45 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 0.00 164 N 6.51 4.33 0.00 1.88 2.46 0.00 0.00 7.10 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 E 8.64 4.45 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 166 L 8.01 4.53 0.00 1.75 1.87 0.91 0.27 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 0.00 167 T 7.71 4.97 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 1.48 0.00 0.00 168 L 8.26 4.37 0.00 1.60 1.39 0.88 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 169 P 0.00 3.63 0.00 1.83 0.49 0.00 3.17 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.15 0.00 170 A 7.95 4.19 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 0.00 171 A 7.65 5.13 1.06 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 0.00 0.00 172 I 8.84 5.04 1.90 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 1.20 0.78 0.74 0.00 0.00 173 S 8.97 4.75 0.00 2.73 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 0.00 174 V 8.27 4.27 1.72 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 0.51 0.00 0.00 -0.08 0.00 0.00 175 E 9.06 4.97 0.00 1.78 1.71 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 1.98 1.98 0.00 176 L 9.04 5.09 0.00 1.52 1.58 0.94 0.60 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 0.00 177 T 8.59 4.87 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 1.23 0.00 0.00 178 L 8.81 4.70 0.00 1.76 1.80 1.12 0.51 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 0.00 179 K 9.05 4.82 0.00 1.78 1.82 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.34 7.81 180 D 8.11 4.44 0.00 2.31 2.54 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 0.00 181 Y 7.74 4.38 0.00 3.04 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 0.00 182 G 8.14 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 0.00 183 K 8.54 4.81 0.00 1.76 1.69 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.71 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.53 7.81 184 I 9.17 4.74 1.79 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 1.16 0.82 0.86 0.00 0.00 185 A 8.32 5.05 0.96 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 0.00 186 R 8.55 4.29 0.00 1.43 0.97 0.00 2.98 0.00 0.00 3.02 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.62 0.00 187 T 7.96 4.62 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 1.26 0.00 0.00 188 Y 8.83 4.83 0.00 2.79 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 0.00 189 L 8.67 5.01 0.00 1.54 1.58 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 190 T 8.04 4.67 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 191 P 0.00 4.41 0.00 2.20 2.09 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.14 0.00 192 E 8.38 4.10 0.00 1.98 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 2.31 2.30 0.00 193 G 7.82 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 0.00 0.00 0.00 194 N 8.25 5.34 0.00 2.57 2.71 0.00 0.00 6.90 7.85 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 0.00 195 L 9.08 4.59 0.00 1.49 1.62 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 196 Q 8.38 4.34 0.00 1.82 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.65 0.00 0.00 0.00 0.00 0.00 2.19 1.91 0.00 * Residues marked with a * may have inaccurate shift predictions.