NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 A 4.4964 8.2649 122.4646 51.8254 20.2448 175.9385 15 I 4.0045 8.9500 123.4161 60.0885 38.4795 174.0518 16 L 4.6940 9.2831 127.7436 54.1988 43.4596 175.1994 17 L 4.9064 7.9456 118.9972 52.1743 45.6666 175.7601 18 P 4.4738 0.0000 0.0000 63.7258 31.5934 176.6223 19 V 4.2209 7.2914 118.8021 60.2960 32.7542 174.4623 20 E 4.0309 8.7033 128.9452 58.1342 29.7108 176.9902 21 G 3.9363 8.9813 114.2670 45.1395 0.0000 173.1891 22 A 4.6762 7.6239 122.4558 51.4259 19.6133 176.7508 23 Q 4.7608 8.5171 119.6532 54.0518 34.0529 173.6921 24 L 5.3240 9.0810 123.5900 53.3838 45.2252 175.4243 25 S 5.0813 9.0533 120.4792 56.0963 66.6769 173.3343 26 E 4.3658 8.8450 121.0442 56.6712 30.0567 176.2048 27 L 4.8036 7.8420 122.4981 52.7721 44.6419 176.4184 28 R 4.2222 8.7371 124.0839 56.2495 31.6922 174.8153 29 Q 4.9717 8.6322 124.5010 54.3076 30.8933 174.9881 30 I 4.2264 8.9758 126.9578 59.3828 38.4748 174.0455 31 P 4.6916 0.0000 0.0000 62.7309 32.1914 175.8569 32 A 4.5002 8.1505 123.2156 50.8767 21.8826 175.7001 33 E 4.2341 8.6173 120.9772 57.8492 29.8629 177.4471 34 G 3.9709 8.6340 112.3724 44.6877 0.0000 172.5429 35 G 4.2472 6.8440 104.8783 42.5631 0.0000 171.2812 36 P 4.6687 0.0000 0.0000 62.2876 32.8894 175.4584 37 V 4.1572 8.4902 121.2945 61.7551 33.1283 174.4830 38 L 4.8827 8.3451 127.5485 53.2250 43.4723 176.2381 39 H 4.6360 8.8955 121.8106 55.2053 29.9863 174.7565 *41 L 4.0590 8.1661 120.2858 55.1570 42.8951 175.7149 42 R 4.5761 8.6062 123.0328 53.6969 33.5230 176.6347 43 L 2.9937 8.1445 120.9663 57.3083 42.0825 177.2380 44 D 4.7789 7.6847 115.0977 52.7835 40.2893 176.6459 45 S 4.2635 7.7629 117.8499 58.3520 63.2527 173.8075 46 P 4.3686 0.0000 0.0000 65.0997 31.2218 177.2251 47 Q 4.3244 7.9576 114.9452 55.9138 29.3396 175.2646 48 F 4.5823 7.9930 121.3655 57.4537 40.1978 173.4291 49 S 4.3034 7.4899 119.6492 58.7833 64.5766 173.3618 50 Q 4.1445 6.4637 119.0178 54.5002 31.7039 172.7606 51 F 4.8608 9.0068 127.3189 57.6061 39.8810 174.0512 52 G 3.8126 8.0341 114.3683 46.9321 0.0000 172.5490 53 E 4.4734 6.7285 119.3144 54.3618 33.7954 173.2856 54 I 5.0126 8.3616 124.6601 59.3756 40.5243 173.7609 55 Y 4.5699 8.2178 126.3041 55.4603 42.0471 173.6743 56 F 5.4462 8.5880 116.9714 55.7312 42.9797 174.9911 57 S 4.7270 9.2604 115.6498 56.6620 65.2045 172.4452 58 E 4.7893 9.0122 128.6308 55.6015 30.8677 175.5859 59 V 4.4092 8.6588 126.0091 60.8869 34.4627 174.9357 60 L 4.5979 8.5397 128.1556 53.5077 43.1213 175.0482 61 P 4.4251 0.0000 0.0000 64.5333 31.4211 176.8948 62 R 4.0524 8.7231 120.0398 56.4447 28.7804 176.4129 63 R 4.2912 7.7973 118.0058 55.5824 31.6442 175.4996 64 V 4.1778 8.0300 121.8304 60.8750 34.0335 175.1983 65 K 4.1823 8.4296 126.7421 54.6741 33.9637 174.7055 66 A 4.4832 7.6785 124.5679 50.1523 22.2114 175.0180 67 W 5.0621 9.2358 119.7851 54.8278 33.0900 174.7355 68 K 5.2372 9.3934 122.9459 55.0081 35.7897 174.9179 69 R 4.6926 8.5977 124.1385 55.0998 33.8624 173.2617 70 H 5.1975 8.6864 121.8539 54.1444 31.7051 175.1678 71 S 4.1325 9.0080 118.8299 60.4698 63.3795 175.2524 72 L 4.7135 8.3921 118.6835 54.7133 42.2817 177.0183 *74 T 4.2306 7.9449 114.2197 63.6757 70.2648 173.0392 75 Q 4.6712 8.5043 123.9765 54.4392 31.6754 175.0462 76 L 4.9568 8.8531 121.9254 53.0990 44.6558 174.9828 77 F 5.3693 9.0069 123.0519 56.4600 40.7170 175.0219 78 A 4.8515 9.0369 124.0548 50.3112 23.1543 175.1040 79 V 4.8493 8.5554 120.0058 59.4617 31.8319 174.0067 80 P 4.4880 0.0000 0.0000 63.4126 32.3325 177.3032 81 V 4.2521 7.2950 119.2133 61.8612 34.5072 175.4419 82 G 3.9928 9.4739 114.8342 45.6445 0.0000 171.0556 83 C 5.2088 8.2238 119.3201 58.1486 35.2768 174.1384 84 I 5.3091 9.2492 118.7407 59.5791 41.5723 173.5815 85 H 5.4342 9.4468 120.7733 54.3810 30.8850 173.6700 86 V 5.2450 9.3332 124.1801 61.2549 34.2041 174.4924 87 V 4.8735 9.2492 126.7675 61.1017 34.5580 173.9690 88 L 5.5585 9.4225 127.4036 53.2275 45.1259 174.8076 89 Y 5.0883 9.1376 123.6363 55.9855 42.0370 173.9001 90 D 4.2663 8.8426 128.0243 53.3374 41.1182 176.3278 91 G 3.8949 8.1494 112.6659 45.0884 0.0000 172.0128 92 R 4.0404 8.0928 120.9624 55.4243 29.9806 177.0783 93 E 3.9201 8.9295 125.0998 58.7086 29.7493 177.5149 94 K 4.4289 7.7962 114.8949 55.9219 32.7288 176.0464 95 S 4.3540 7.8017 115.4927 57.1130 62.7815 173.1575 96 P 4.5337 0.0000 0.0000 64.4953 31.5347 176.6226 97 T 4.5636 7.8216 110.1690 61.0093 69.1058 173.5487 98 S 4.0929 7.6867 116.5630 61.0899 62.5197 174.7485 99 G 4.1201 9.2749 116.2424 45.3196 0.0000 173.6244 100 R 4.4943 7.6925 118.9025 55.6816 31.8008 175.5090 101 L 5.3847 8.4974 120.3704 53.2680 44.4373 175.7788 102 A 4.7737 9.0103 123.0536 50.2746 22.1798 174.9440 103 Q 5.0176 8.7858 120.9869 54.0722 31.5024 175.3264 104 V 4.5503 8.9472 122.9169 61.4843 35.7323 173.7677 105 T 5.0884 8.5336 122.0431 61.8434 70.6734 173.7207 106 L 4.9555 10.1826 126.2133 52.0232 45.3927 175.5228 107 G 4.7849 8.3176 109.9111 44.1096 0.0000 172.9405 108 R 4.4247 8.0572 120.7718 55.5080 30.6397 175.2033 109 P 4.6696 0.0000 0.0000 63.1493 32.2417 175.6610 110 D 4.8548 8.0407 117.3661 54.6219 41.6303 176.0082 111 N 5.0458 8.3193 117.5709 53.0381 39.9746 173.6419 112 Y 4.7452 8.0486 121.6459 56.9959 38.3399 173.8598 113 R 4.7978 7.8848 122.7617 53.8453 35.2984 173.5859 114 L 4.6888 8.9241 122.4253 53.4488 44.2114 174.5667 115 L 4.9586 8.5921 128.7996 53.3990 44.2445 174.7513 116 R 4.7533 9.0309 128.0141 55.2160 31.8771 174.8228 117 I 4.5752 8.3546 128.0685 58.7765 39.5314 173.8743 118 P 4.9116 0.0000 0.0000 61.0877 33.1602 173.8578 119 P 4.4326 0.0000 0.0000 63.7194 31.8898 176.1162 120 Q 3.4278 8.8934 118.9155 56.5652 26.6806 173.1765 121 V 4.3603 7.0062 117.5787 60.6961 33.1295 175.6932 122 W 4.9176 8.8782 128.5054 57.1193 30.2919 174.8722 123 Y 5.8988 9.8907 121.4981 55.9149 41.4002 174.2437 124 G 4.4369 9.6014 107.1437 45.3382 0.0000 171.4005 125 F 5.7419 8.0835 114.6412 55.7749 41.7530 172.8991 126 A 5.4702 9.2682 120.3404 49.6774 23.0279 175.1027 127 A 4.8558 8.6244 122.7570 51.8234 19.9437 177.1567 128 T 4.6418 8.6776 113.2555 61.2592 70.9907 176.4763 129 G 3.8986 8.8198 109.1187 45.3895 0.0000 174.2618 130 D 4.9563 8.6193 124.6083 52.8120 40.2471 175.2101 131 T 4.7978 7.5688 107.7984 59.6708 71.9585 171.7850 132 P 4.7266 0.0000 0.0000 62.7301 32.4080 175.4882 133 A 4.9636 9.0157 123.7038 50.2379 21.9845 175.7115 134 L 4.9021 8.7498 121.7378 53.3639 45.0351 175.3294 135 V 4.3964 8.8056 127.4994 61.4090 33.2437 174.2972 136 A 5.1923 9.1959 129.9957 50.2549 21.9240 174.9334 137 N 5.1097 8.4887 119.7522 51.8691 42.3030 172.5594 138 C 4.8278 8.8823 127.5557 58.1219 32.7624 172.9924 139 T 4.8038 8.6987 117.8468 60.3453 70.6299 175.2399 140 D 5.3190 8.3131 121.6516 54.1098 40.3276 176.4378 141 I 4.7856 7.3646 111.5867 58.1215 40.6913 173.4684 142 P 4.5168 0.0000 0.0000 62.3908 32.4867 175.4303 143 H 4.2475 8.6847 121.0183 56.4700 30.5178 175.0608 144 R 4.5376 8.0487 126.4905 54.7607 34.0672 175.1323 145 Q 4.1059 8.6346 120.4643 56.9781 28.3144 175.4977 146 G 4.0231 8.9273 110.6463 44.6691 0.0000 173.6915 147 E 4.1786 7.9884 119.8690 56.9126 30.0881 175.3288 148 S 5.1532 7.6565 111.4291 56.6663 66.4337 172.8016 149 E 4.9381 9.3054 120.7795 54.4683 33.1233 174.2315 150 R 5.6641 8.8237 120.0480 54.6811 33.1727 174.1062 151 A 4.9131 8.9239 119.9382 49.5581 23.0560 174.3768 152 P 4.5386 0.0000 0.0000 62.6526 31.9845 177.7907 153 Q 4.0380 8.6876 118.8824 58.2270 28.6228 176.6682 154 D 4.8937 7.9959 116.7393 52.6959 40.0740 175.5454 155 A 3.8726 8.1002 123.6751 52.7078 18.2519 177.5307 156 P 4.3823 0.0000 0.0000 64.3511 31.6975 177.0956 157 F 4.3189 7.6424 112.9923 57.3176 38.5279 175.3551 158 I 2.9700 6.0972 122.8588 58.4520 37.2645 174.9469 159 P 4.4005 0.0000 0.0000 61.8039 30.5007 176.7217 160 F 4.4410 7.3593 118.6401 57.4552 42.8104 173.2154 161 S 4.3526 7.2907 122.5412 56.2513 61.9746 174.3359 162 W 4.2229 8.5264 129.1046 59.4528 29.1737 178.8261 163 A 4.1058 8.1486 120.4014 54.3575 17.9416 178.1044 164 G 3.7776 7.5209 102.5881 45.5262 0.0000 174.2232 165 A 4.0462 7.4913 123.3773 52.0332 18.9009 177.0698 166 D 4.6786 8.6317 121.2300 53.5242 40.9268 175.7342 167 L 4.7422 8.2700 126.9635 54.4842 42.2026 179.1832 168 S 4.0391 8.6080 117.0831 59.3467 63.0580 175.9770 169 G 3.9828 8.2864 107.0558 45.7189 0.0000 173.4084 170 T 4.0456 7.6984 114.7145 61.9454 68.6482 174.0809 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 14 A 8.26 4.50 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 15 I 8.95 4.00 1.96 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 1.22 0.28 0.91 0.00 0.00 16 L 9.28 4.69 0.00 1.52 1.58 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.95 4.91 0.00 1.58 1.53 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.47 0.00 2.23 2.10 0.00 3.65 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 19 V 7.29 4.22 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 0.93 0.00 0.00 0.97 0.00 0.00 20 E 8.70 4.03 0.00 1.90 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 2.31 2.30 0.00 21 G 8.98 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.62 4.68 1.28 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 23 Q 8.52 4.76 0.00 1.91 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 24 L 9.08 5.32 0.00 1.66 1.44 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 25 S 9.05 5.08 0.00 3.84 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 26 E 8.84 4.37 0.00 1.88 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 0.00 2.31 2.30 0.00 27 L 7.84 4.80 0.00 1.47 1.53 0.33 0.83 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 28 R 8.74 4.22 0.00 1.93 1.68 0.00 3.09 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 29 Q 8.63 4.97 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.63 0.00 0.00 0.00 0.00 0.00 2.07 2.44 0.00 30 I 8.98 4.23 1.84 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 1.08 0.88 0.90 0.00 0.00 31 P 0.00 4.69 0.00 1.92 1.96 0.00 3.70 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 32 A 8.15 4.50 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 33 E 8.62 4.23 0.00 1.96 1.90 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 2.30 2.25 0.00 34 G 8.63 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 35 G 6.84 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 0.00 0.00 0.00 0.00 36 P 0.00 4.67 0.00 2.00 2.00 0.00 3.70 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.88 0.00 37 V 8.49 4.16 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 0.97 0.00 0.00 0.92 0.00 0.00 38 L 8.35 4.88 0.00 1.52 1.39 0.63 0.79 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 39 H 8.90 4.64 0.00 3.10 3.28 0.00 5.70 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *41 L 8.17 4.06 0.00 1.67 1.66 1.06 1.10 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 42 R 8.61 4.58 0.00 1.74 1.76 0.00 3.08 0.00 0.00 3.03 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.41 0.00 43 L 8.14 2.99 0.00 1.23 1.50 0.90 1.11 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 44 D 7.68 4.78 0.00 2.79 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 45 S 7.76 4.26 0.00 4.11 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 46 P 0.00 4.37 0.00 2.05 2.13 0.00 3.69 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 2.04 2.12 0.00 47 Q 7.96 4.32 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 48 F 7.99 4.58 0.00 3.04 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 49 S 7.49 4.30 0.00 3.64 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 50 Q 6.46 4.14 0.00 1.88 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 51 F 9.01 4.86 0.00 3.34 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.03 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 6.73 4.47 0.00 1.90 1.66 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 2.30 2.23 0.00 54 I 8.36 5.01 2.01 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 1.35 0.53 1.05 0.00 0.00 55 Y 8.22 4.57 0.00 2.90 2.86 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 56 F 8.59 5.45 0.00 3.01 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 9.26 4.73 0.00 4.05 3.71 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 58 E 9.01 4.79 0.00 2.05 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 2.28 2.46 0.00 59 V 8.66 4.41 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 1.00 0.00 0.00 1.18 0.00 0.00 60 L 8.54 4.60 0.00 1.63 1.56 0.91 0.99 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 61 P 0.00 4.43 0.00 2.17 2.14 0.00 3.84 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 62 R 8.72 4.05 0.00 1.99 2.15 0.00 3.33 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 63 R 7.80 4.29 0.00 1.84 1.75 0.00 3.19 0.00 0.00 3.06 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.68 0.00 64 V 8.03 4.18 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 -0.42 0.00 0.00 0.63 0.00 0.00 65 K 8.43 4.18 0.00 0.79 1.16 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.12 1.09 7.81 66 A 7.68 4.48 -0.07 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 0.00 0.00 67 W 9.24 5.06 0.00 3.17 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 68 K 9.39 5.24 0.00 1.65 0.74 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.27 7.81 69 R 8.60 4.69 0.00 0.67 0.66 0.00 2.61 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.13 0.00 70 H 8.69 5.20 0.00 3.13 3.38 0.00 5.67 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 71 S 9.01 4.13 0.00 3.72 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 72 L 8.39 4.71 0.00 1.54 1.59 0.90 0.74 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 *74 T 7.94 4.23 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 1.14 0.00 0.00 75 Q 8.50 4.67 0.00 1.39 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.76 0.00 0.00 0.00 0.00 0.00 1.94 1.61 0.00 76 L 8.85 4.96 0.00 1.74 1.56 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 77 F 9.01 5.37 0.00 2.74 2.77 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 78 A 9.04 4.85 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.56 4.85 2.14 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 1.23 0.00 0.00 0.86 0.00 0.00 80 P 0.00 4.49 0.00 2.17 2.23 0.00 4.13 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 81 V 7.29 4.25 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 1.06 0.00 0.00 0.85 0.00 0.00 82 G 9.47 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 0.00 0.00 0.00 83 C 8.22 5.21 0.00 3.01 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 84 I 9.25 5.31 2.13 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 1.26 1.27 0.95 0.00 0.00 85 H 9.45 5.43 0.00 3.35 3.47 0.00 5.60 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 9.33 5.24 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 1.32 0.00 0.00 1.14 0.00 0.00 87 V 9.25 4.87 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 0.77 0.00 0.00 -0.27 0.00 0.00 88 L 9.42 5.56 0.00 1.65 1.64 0.91 0.73 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 89 Y 9.14 5.09 0.00 2.81 2.68 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 0.00 0.00 0.00 90 D 8.84 4.27 0.00 2.65 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 91 G 8.15 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 0.00 0.00 0.00 92 R 8.09 4.04 0.00 1.99 1.85 0.00 3.09 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 93 E 8.93 3.92 0.00 2.19 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 2.29 1.91 0.00 94 K 7.80 4.43 0.00 1.76 1.79 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.39 7.81 95 S 7.80 4.35 0.00 3.85 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 96 P 0.00 4.53 0.00 2.21 2.15 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 97 T 7.82 4.56 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 1.24 0.00 0.00 98 S 7.69 4.09 0.00 4.05 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 0.00 99 G 9.27 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 0.00 100 R 7.69 4.49 0.00 1.95 1.88 0.00 3.10 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 101 L 8.50 5.38 0.00 1.57 1.60 1.10 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 102 A 9.01 4.77 1.21 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 0.00 0.00 103 Q 8.79 5.02 0.00 1.88 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.71 0.00 0.00 0.00 0.00 0.00 2.02 2.25 0.00 104 V 8.95 4.55 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 0.99 0.00 0.00 0.93 0.00 0.00 105 T 8.53 5.09 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 1.30 0.00 0.00 106 L 10.18 4.96 0.00 1.57 1.55 1.00 0.63 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 0.00 107 G 8.32 4.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 R 8.06 4.42 0.00 1.77 1.82 0.00 3.04 0.00 0.00 2.89 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.40 0.00 109 P 0.00 4.67 0.00 2.16 2.14 0.00 3.76 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 1.92 1.96 0.00 110 D 8.04 4.85 0.00 2.71 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 0.00 111 N 8.32 5.05 0.00 2.96 2.95 0.00 0.00 6.56 7.09 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 0.00 112 Y 8.05 4.75 0.00 3.07 2.93 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 0.00 113 R 7.88 4.80 0.00 1.61 1.86 0.00 3.23 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 114 L 8.92 4.69 0.00 1.60 1.45 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.59 4.96 0.00 1.77 1.46 0.91 0.38 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 0.00 116 R 9.03 4.75 0.00 1.81 1.78 0.00 3.04 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 117 I 8.35 4.58 1.39 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.10 0.81 0.00 0.00 118 P 0.00 4.91 0.00 2.07 2.13 0.00 3.66 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 2.03 1.93 0.00 119 P 0.00 4.43 0.00 2.15 2.07 0.00 3.83 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 1.95 2.16 0.00 120 Q 8.89 3.43 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.64 0.00 0.00 0.00 0.00 0.00 2.17 2.40 0.00 121 V 7.01 4.36 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 0.87 0.00 0.00 0.91 0.00 0.00 122 W 8.88 4.92 0.00 3.60 3.17 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 0.00 123 Y 9.89 5.90 0.00 3.18 3.17 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 0.00 124 G 9.60 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 0.00 0.00 0.00 0.00 125 F 8.08 5.74 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 0.00 126 A 9.27 5.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 8.62 4.86 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 0.00 128 T 8.68 4.64 4.38 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 1.06 0.00 0.00 129 G 8.82 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 0.00 130 D 8.62 4.96 0.00 2.72 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 T 7.57 4.80 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 1.21 0.00 0.00 132 P 0.00 4.73 0.00 1.95 2.02 0.00 3.63 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 2.01 2.08 0.00 133 A 9.02 4.96 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 0.00 134 L 8.75 4.90 0.00 1.65 1.43 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 135 V 8.81 4.40 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 -0.26 0.00 0.00 0.58 0.00 0.00 136 A 9.20 5.19 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 0.00 137 N 8.49 5.11 0.00 2.18 1.46 0.00 0.00 6.53 8.01 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 0.00 138 C 8.88 4.83 0.00 3.04 2.86 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 0.00 139 T 8.70 4.80 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 1.36 0.00 0.00 140 D 8.31 5.32 0.00 2.44 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.36 4.79 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.69 0.86 0.00 0.00 142 P 0.00 4.52 0.00 2.08 2.05 0.00 3.73 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 143 H 8.68 4.25 0.00 3.08 3.22 0.00 5.92 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 R 8.05 4.54 0.00 1.79 1.69 0.00 3.18 0.00 0.00 3.36 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 145 Q 8.63 4.11 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.65 0.00 0.00 0.00 0.00 0.00 2.29 1.95 0.00 146 G 8.93 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 147 E 7.99 4.18 0.00 1.98 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 2.26 2.37 0.00 148 S 7.66 5.15 0.00 3.66 3.47 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 0.00 149 E 9.31 4.94 0.00 1.90 1.55 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 2.54 2.38 0.00 150 R 8.82 5.66 0.00 1.93 1.95 0.00 3.05 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 151 A 8.92 4.91 1.07 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 0.00 0.00 152 P 0.00 4.54 0.00 2.35 2.03 0.00 3.69 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 153 Q 8.69 4.04 0.00 1.89 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.31 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 154 D 8.00 4.89 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 0.00 155 A 8.10 3.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 P 0.00 4.38 0.00 2.18 2.16 0.00 3.81 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 157 F 7.64 4.32 0.00 3.08 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 0.00 158 I 6.10 2.97 0.56 0.00 0.00 -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 -0.06 -0.36 -1.10 0.00 0.00 159 P 0.00 4.40 0.00 2.04 1.91 0.00 2.20 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 160 F 7.36 4.44 0.00 2.85 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 0.00 161 S 7.29 4.35 0.00 3.66 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 W 8.53 4.22 0.00 3.51 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 0.00 163 A 8.15 4.11 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 0.00 164 G 7.52 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 A 7.49 4.05 1.58 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 0.00 0.00 166 D 8.63 4.68 0.00 2.67 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 L 8.27 4.74 0.00 1.77 1.65 1.01 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 168 S 8.61 4.04 0.00 3.99 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 0.00 169 G 8.29 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 0.00 0.00 0.00 170 T 7.70 4.05 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 * Residues marked with a * may have inaccurate shift predictions.