NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.4408 8.1693 120.6396 54.9426 43.1188 175.7921 8 H 4.8234 8.2295 116.0269 53.2502 31.4574 171.4974 9 K 4.7877 8.3336 121.5527 55.9082 34.4258 176.8788 10 E 4.8630 9.0332 119.6342 53.8052 33.6579 172.8174 11 P 4.5907 0.0000 0.0000 63.3495 32.0371 175.4203 12 A 4.6346 8.8048 126.3760 50.5216 20.9909 176.0946 13 T 4.3259 8.3806 120.0119 62.0184 70.0006 173.8579 14 L 4.3574 8.4192 129.6870 55.2394 42.4225 176.2337 15 I 4.2626 8.8722 128.5469 62.6412 37.8692 176.1415 16 K 4.4713 7.4794 117.6679 55.8743 35.0949 174.3376 17 A 4.3617 8.7486 124.9735 52.5011 18.6176 175.9225 18 I 4.3358 7.8100 118.2072 61.8702 39.9688 177.2545 19 D 4.7051 7.7304 117.7602 52.0828 41.9949 175.3512 20 G 3.9061 9.3367 106.3701 48.2503 0.0000 173.7242 21 D 5.1428 8.2383 116.5578 52.5953 41.5261 175.3805 22 T 5.3980 8.2658 109.1526 60.4959 72.5091 173.1124 23 V 4.7233 8.6813 121.9990 60.1111 35.7179 173.6805 24 K 4.9608 9.2788 124.8867 55.5026 33.3670 175.3324 25 L 5.1251 9.1075 127.3825 53.1608 45.5327 175.6204 26 M 4.8167 8.9538 122.3211 54.6988 32.6837 174.5602 27 Y 4.5712 9.0666 128.5370 56.8870 40.6614 175.9490 28 K 3.6562 9.1114 127.5709 57.5372 29.8652 175.4720 29 G 3.9106 8.3210 102.2908 45.9579 0.0000 173.1832 30 Q 4.8246 8.0948 119.6498 52.6983 31.4157 173.4135 31 P 4.8188 0.0000 0.0000 63.3645 32.0901 175.5848 32 M 4.8446 9.2926 123.8470 54.2156 36.1745 173.8157 33 T 4.5864 8.7475 123.1254 63.6760 70.2004 173.1331 34 F 4.9089 9.6699 125.5461 55.6651 41.5343 174.4331 35 R 4.9937 9.1649 124.8024 54.4314 31.8476 175.3338 36 L 4.4277 8.7232 127.6199 54.7632 42.4075 177.2801 37 L 3.9989 8.5136 124.2416 55.5565 42.8863 177.9796 38 L 4.1394 8.8520 119.5012 55.2102 39.3498 174.0166 39 V 5.1690 7.4040 109.7362 59.7632 36.1716 174.9294 40 D 4.9474 9.1991 121.7373 53.2956 43.7236 174.5305 41 T 4.8167 9.1078 117.0931 59.9611 70.8552 173.0016 42 P 4.3901 0.0000 0.0000 62.4297 32.2422 176.4515 43 E 3.9901 8.6848 120.8311 56.9600 30.0391 178.0067 *50 F 4.7332 8.4440 122.8279 58.3714 40.9992 175.5593 51 N 4.3980 8.1293 114.5071 53.6206 39.0709 174.5247 52 E 4.4602 8.0040 119.3139 53.8722 31.5208 175.3010 53 K 3.7841 8.1083 121.5918 58.2303 32.6208 176.3155 54 Y 4.0705 7.6165 120.9109 59.4025 35.5423 171.4921 55 G 3.4880 8.0590 108.4557 47.4765 0.0000 174.8059 56 P 4.3581 0.0000 0.0000 64.8967 31.1543 178.7229 57 E 4.0194 8.1317 116.8145 59.3323 29.5391 178.8736 58 A 4.0697 8.4565 121.2207 55.3541 18.1785 179.7708 59 S 4.1196 8.4923 113.5106 61.9275 63.0210 176.9485 60 A 4.0743 8.3039 123.3478 54.9029 18.0053 179.5008 61 F 3.9928 8.5129 119.2644 61.9060 39.6201 177.5031 62 T 3.8803 8.1554 115.3937 66.3865 68.1469 176.5057 63 K 3.8972 8.1252 121.3996 59.6815 32.2337 179.1312 64 K 3.9271 8.0704 118.6932 59.3172 31.6889 179.1078 65 M 3.7913 7.7021 117.8959 58.6236 31.9431 178.2517 66 V 3.7025 7.7366 118.2495 65.9269 31.5022 177.8457 67 E 3.9574 8.1208 117.3382 59.6523 29.3166 178.0596 68 N 4.4926 8.1961 113.0350 54.0975 38.9155 175.4545 69 A 4.4319 7.2327 120.8657 51.1925 19.0654 177.7838 70 K 4.0062 8.9984 123.3920 58.0466 32.9058 176.5111 71 K 4.5130 8.9892 121.2127 54.6656 34.5772 175.0518 72 R 5.1701 8.5429 126.8321 54.6050 32.5708 175.2629 73 E 5.2066 9.2098 122.3381 54.5727 34.3148 174.6589 74 V 4.7599 8.8776 122.2909 61.1058 35.0066 174.2446 75 E 4.9519 9.0837 127.3061 54.4297 32.2868 174.7803 76 F 4.6266 8.8035 125.8080 57.6494 40.0841 175.8707 77 D 4.9579 8.4827 120.5705 53.6156 43.2309 175.6753 78 K 4.3557 8.9563 117.0578 58.0183 33.3631 178.5183 79 G 4.1108 8.0099 109.7926 44.3921 0.0000 174.5763 80 Q 3.8696 8.7604 125.6868 56.9856 29.2106 176.8046 81 R 4.5036 8.4939 122.6203 56.5817 31.1836 175.9500 82 T 4.9151 7.3215 106.9753 59.7907 71.8715 173.2384 83 D 4.7943 8.4510 123.8078 51.5754 41.2038 177.2330 84 K 3.7741 8.1870 117.5564 59.1835 32.2445 176.9584 85 Y 4.4864 7.9588 116.5109 57.5623 37.8971 176.7195 86 G 3.9284 8.2814 108.4185 45.3494 0.0000 174.4143 87 R 4.1321 7.8091 119.7098 55.5029 31.3990 176.4439 88 G 3.0174 8.2647 111.0972 46.1870 0.0000 172.3046 89 L 5.2404 8.5037 122.8696 52.8744 43.9877 175.7233 90 A 4.5390 8.3635 124.2302 51.0288 23.4866 174.0732 91 Y 4.9265 8.8992 117.3519 57.1106 40.0659 175.1227 92 I 4.9117 8.5732 123.8540 59.7462 40.3176 174.1847 93 Y 5.2017 9.2191 123.9231 56.0855 41.5376 174.7463 94 A 4.9093 9.0738 124.5065 50.1347 21.5850 176.1780 95 D 4.4490 10.2150 125.4081 56.0355 39.1021 176.1165 96 G 3.9966 8.3861 104.9879 45.3561 0.0000 173.4863 97 K 4.5132 7.8958 120.3668 54.8969 33.7078 175.3958 98 M 4.0472 8.4880 123.4843 54.7726 33.2051 176.8758 99 V 3.6232 8.7158 127.0537 66.1738 31.6770 177.5544 100 N 4.3198 8.1330 115.7090 56.5587 38.3798 176.7769 101 E 3.9255 8.1092 119.6491 59.2775 29.8870 178.5300 102 A 4.0704 8.2080 120.8470 55.0079 18.3537 179.6014 103 L 3.6295 8.2414 117.7048 57.8825 41.7391 179.9445 104 V 3.9323 7.5257 119.3609 65.5966 31.2894 178.0721 105 R 4.1259 8.0279 117.3901 59.1118 29.9893 177.5211 106 Q 4.3050 7.7221 115.0887 55.1727 29.1505 176.3226 107 G 3.8247 7.8226 108.7520 46.2490 0.0000 174.8837 108 L 4.4440 7.8343 117.9267 54.4435 42.4480 176.4716 109 A 4.8345 7.4415 120.0787 50.3155 22.9284 175.3368 110 K 4.7261 8.6090 119.8790 54.9725 34.3696 176.6541 111 V 4.2354 8.8335 124.0009 63.5910 31.9770 174.9927 112 A 4.3088 9.2657 127.7537 50.9420 23.3555 174.9100 113 Y 3.3916 7.5750 113.5710 58.9590 35.3832 172.8887 114 V 3.8364 7.3951 119.1016 62.3554 31.3312 173.8662 115 Y 4.8134 8.1003 125.2873 55.8003 39.6199 177.6003 116 K 4.0727 8.9794 123.9443 59.2422 32.4935 178.6395 117 G 3.7598 8.2982 107.1920 47.8296 0.0000 173.5642 118 N 5.2938 8.3139 115.4477 52.2320 38.8722 173.9141 119 N 5.2104 7.7787 111.3009 52.7544 38.8860 177.2411 120 T 3.8262 8.6846 117.9291 67.8056 68.7038 175.0051 121 H 4.8343 7.9083 116.7365 55.8123 29.1230 176.7718 122 E 3.9491 8.3813 122.6016 59.7593 29.2856 178.7920 123 Q 3.9819 8.0902 117.3729 58.8423 28.7958 178.3945 124 L 3.9313 7.9557 120.7144 58.4615 42.0574 179.0367 125 L 4.0821 7.9950 118.6909 57.7437 41.5520 179.6886 126 R 3.9475 8.4189 118.5943 58.7968 29.7935 178.9085 127 K 3.8288 8.3791 119.6321 59.5604 32.2647 178.6369 128 A 3.9866 7.9389 120.9675 55.2168 18.1813 179.2419 129 E 3.9218 8.6714 118.0179 59.3301 29.7253 178.9147 130 A 3.7617 7.9719 120.9247 54.8847 18.3589 179.4994 131 Q 3.8213 7.8655 118.1673 59.1979 29.1724 177.9726 132 A 4.0467 8.0052 121.8158 55.1553 18.3895 179.7953 133 K 3.5434 7.9468 117.0302 59.2776 31.8449 179.2616 134 K 3.7889 7.6423 118.4183 59.6910 32.2138 177.9541 135 E 4.1758 8.1220 115.0554 55.7858 29.6937 176.5122 136 K 4.1539 7.8946 117.7911 56.1534 30.5157 175.0605 137 L 4.4283 8.1809 118.3023 55.4743 44.3072 177.8214 138 N 3.4619 9.2362 120.2642 53.9277 37.7693 176.5269 139 I 3.1292 5.4200 126.5124 64.4687 37.3347 176.6575 140 W 4.9791 7.9217 118.8093 56.5302 28.9730 178.0482 141 S 4.5412 8.0555 114.6613 59.1877 63.0588 174.1944 142 E 4.3089 8.1127 124.7418 56.3969 29.6418 175.5099 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 7 L 8.17 4.44 0.00 1.71 1.75 1.07 0.85 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 8 H 8.23 4.82 0.00 3.29 3.27 0.00 5.71 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.33 4.79 0.00 1.57 1.68 0.00 1.34 0.00 0.00 0.92 0.00 0.00 2.13 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.09 1.21 7.81 10 E 9.03 4.86 0.00 2.08 2.12 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 2.53 2.46 0.00 11 P 0.00 4.59 0.00 1.96 2.05 0.00 3.68 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 2.04 2.12 0.00 12 A 8.80 4.63 1.14 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 13 T 8.38 4.33 4.43 0.00 0.00 0.00 0.00 0.00 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 14 L 8.42 4.36 0.00 1.61 1.55 0.94 1.08 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 15 I 8.87 4.26 2.03 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 1.30 0.71 0.93 0.00 0.00 16 K 7.48 4.47 0.00 1.76 1.84 0.00 1.49 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.37 7.81 17 A 8.75 4.36 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.81 4.34 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.71 0.89 0.00 0.00 19 D 7.73 4.71 0.00 2.89 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 20 G 9.34 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 21 D 8.24 5.14 0.00 2.61 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 22 T 8.27 5.40 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 1.21 0.00 0.00 23 V 8.68 4.72 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 0.74 0.00 0.00 1.00 0.00 0.00 24 K 9.28 4.96 0.00 1.88 1.81 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.52 7.81 25 L 9.11 5.13 0.00 1.57 1.54 -0.07 0.84 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 26 M 8.95 4.82 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 27 Y 9.07 4.57 0.00 3.39 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 28 K 9.11 3.66 0.00 1.85 1.74 0.00 1.87 0.00 0.00 1.69 0.00 0.00 3.30 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.04 0.68 7.81 29 G 8.32 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 30 Q 8.09 4.82 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.93 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 31 P 0.00 4.82 0.00 2.11 2.11 0.00 3.79 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 32 M 9.29 4.84 0.00 2.44 2.18 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 2.45 2.27 0.00 33 T 8.75 4.59 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 1.22 0.00 0.00 34 F 9.67 4.91 0.00 2.94 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 35 R 9.16 4.99 0.00 1.86 1.86 0.00 3.34 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 36 L 8.72 4.43 0.00 1.56 1.63 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.51 4.00 0.00 0.85 1.30 0.30 0.26 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 38 L 8.85 4.14 0.00 2.05 1.90 1.18 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.40 5.17 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 0.72 0.00 0.00 0.99 0.00 0.00 40 D 9.20 4.95 0.00 2.93 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 41 T 9.11 4.82 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 1.33 0.00 0.00 42 P 0.00 4.39 0.00 2.07 2.08 0.00 3.70 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 2.15 2.10 0.00 43 E 8.68 3.99 0.00 2.35 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 2.36 2.42 0.00 *50 F 8.44 4.73 0.00 3.01 3.18 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 51 N 8.13 4.40 0.00 2.75 2.81 0.00 0.00 6.84 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 52 E 8.00 4.46 0.00 2.06 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 2.22 2.19 0.00 53 K 8.11 3.78 0.00 1.46 1.47 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.30 0.80 7.81 54 Y 7.62 4.07 0.00 3.17 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.06 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.36 0.00 2.07 2.00 0.00 3.40 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 1.78 1.37 0.00 57 E 8.13 4.02 0.00 2.29 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 2.49 2.49 0.00 58 A 8.46 4.07 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 59 S 8.49 4.12 0.00 4.28 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 60 A 8.30 4.07 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 61 F 8.51 3.99 0.00 3.31 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 62 T 8.16 3.88 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 1.25 0.00 0.00 63 K 8.13 3.90 0.00 1.92 2.04 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.56 7.81 64 K 8.07 3.93 0.00 1.85 1.76 0.00 1.73 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.43 7.81 65 M 7.70 3.79 0.00 1.80 1.63 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 66 V 7.74 3.70 2.05 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 0.95 0.00 0.00 0.93 0.00 0.00 67 E 8.12 3.96 0.00 2.05 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 2.33 2.36 0.00 68 N 8.20 4.49 0.00 2.75 2.83 0.00 0.00 7.08 8.17 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 69 A 7.23 4.43 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 9.00 4.01 0.00 1.72 1.98 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.42 7.81 71 K 8.99 4.51 0.00 1.79 1.63 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.37 7.81 72 R 8.54 5.17 0.00 1.93 1.79 0.00 3.10 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 73 E 9.21 5.21 0.00 1.94 1.79 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 2.21 2.23 0.00 74 V 8.88 4.76 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 0.38 0.00 0.00 0.63 0.00 0.00 75 E 9.08 4.95 0.00 2.23 2.17 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 2.45 2.56 0.00 76 F 8.80 4.63 0.00 3.05 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 77 D 8.48 4.96 0.00 2.76 3.04 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 78 K 8.96 4.36 0.00 1.79 1.89 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.45 7.81 79 G 8.01 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 8.76 3.87 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 81 R 8.49 4.50 0.00 1.64 1.42 0.00 2.66 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.41 0.00 82 T 7.32 4.92 4.13 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 1.07 0.00 0.00 83 D 8.45 4.79 0.00 2.82 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 84 K 8.19 3.77 0.00 1.53 1.70 0.00 1.15 0.00 0.00 1.43 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.74 0.21 7.81 85 Y 7.96 4.49 0.00 3.11 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 86 G 8.28 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 0.00 0.00 0.00 87 R 7.81 4.13 0.00 2.01 1.76 0.00 3.10 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 88 G 8.26 3.02 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 89 L 8.50 5.24 0.00 1.50 1.55 0.87 0.95 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 90 A 8.36 4.54 0.95 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 0.00 0.00 91 Y 8.90 4.93 0.00 2.97 2.66 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 92 I 8.57 4.91 1.82 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 1.19 0.95 0.92 0.00 0.00 93 Y 9.22 5.20 0.00 2.79 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 9.07 4.91 1.22 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 95 D 10.21 4.45 0.00 2.78 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 96 G 8.39 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 0.00 0.00 0.00 97 K 7.90 4.51 0.00 2.02 1.77 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.39 7.81 98 M 8.49 4.05 0.00 1.89 1.58 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 2.36 0.00 99 V 8.72 3.62 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 1.04 0.00 0.00 0.95 0.00 0.00 100 N 8.13 4.32 0.00 2.93 2.97 0.00 0.00 6.73 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 0.00 101 E 8.11 3.93 0.00 1.98 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 2.37 0.00 102 A 8.21 4.07 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 0.00 0.00 0.00 0.00 0.00 103 L 8.24 3.63 0.00 1.89 1.70 1.04 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.53 3.93 2.24 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 1.37 0.00 0.00 1.03 0.00 0.00 105 R 8.03 4.13 0.00 1.90 2.12 0.00 3.35 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 106 Q 7.72 4.31 0.00 1.66 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.10 0.00 0.00 0.00 0.00 0.00 2.40 2.19 0.00 107 G 7.82 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 7.83 4.44 0.00 1.34 1.57 0.47 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.44 4.83 1.20 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 0.00 110 K 8.61 4.73 0.00 1.76 1.85 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.49 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.31 1.14 7.81 111 V 8.83 4.24 2.12 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 0.74 0.00 0.00 0.98 0.00 0.00 112 A 9.27 4.31 1.05 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 0.00 113 Y 7.58 3.39 0.00 3.16 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 0.00 114 V 7.40 3.84 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 0.91 0.00 0.00 0.95 0.00 0.00 115 Y 8.10 4.81 0.00 3.10 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 0.00 116 K 8.98 4.07 0.00 1.81 1.94 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.49 7.81 117 G 8.30 3.76 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 0.00 0.00 0.00 118 N 8.31 5.29 0.00 2.79 2.80 0.00 0.00 6.81 7.49 0.00 0.00 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 N 7.78 5.21 0.00 2.88 3.21 0.00 0.00 6.09 7.22 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 0.00 120 T 8.68 3.83 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 1.04 0.00 0.00 121 H 7.91 4.83 0.00 2.92 3.12 0.00 5.63 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.38 3.95 0.00 2.17 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 2.33 2.39 0.00 123 Q 8.09 3.98 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.64 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 124 L 7.96 3.93 0.00 1.76 1.88 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 125 L 7.99 4.08 0.00 1.92 1.74 1.04 1.03 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 0.00 126 R 8.42 3.95 0.00 1.95 1.95 0.00 3.12 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 127 K 8.38 3.83 0.00 1.90 2.00 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.45 7.81 128 A 7.94 3.99 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 0.00 129 E 8.67 3.92 0.00 2.17 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 0.00 2.11 2.57 0.00 130 A 7.97 3.76 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 7.87 3.82 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 132 A 8.01 4.05 1.63 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 0.00 0.00 0.00 0.00 0.00 0.00 133 K 7.95 3.54 0.00 1.61 1.48 0.00 1.13 0.00 0.00 1.00 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 134 K 7.64 3.79 0.00 1.77 1.98 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.46 7.81 135 E 8.12 4.18 0.00 2.00 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 2.33 2.43 0.00 136 K 7.89 4.15 0.00 1.97 1.91 0.00 1.72 0.00 0.00 1.96 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.51 7.81 137 L 8.18 4.43 0.00 1.75 1.62 0.99 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.24 3.46 0.00 2.43 1.42 0.00 0.00 7.13 7.21 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 0.00 139 I 5.42 3.13 0.83 0.00 0.00 0.52 0.00 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 -0.26 0.00 0.00 140 W 7.92 4.98 0.00 3.33 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 0.00 141 S 8.06 4.54 0.00 4.01 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 0.00 142 E 8.11 4.31 0.00 2.00 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 0.00 2.26 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.