NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.4400 8.1127 117.4830 56.0587 30.2797 174.4356 3 F 2.8991 7.5782 120.6355 56.8355 40.1931 173.4411 4 K 4.1298 7.2221 128.3992 57.2512 34.4440 175.1254 5 A 4.1203 5.9154 117.9343 51.0136 22.5276 174.5751 6 E 4.7286 8.8276 120.9009 55.4990 29.8821 176.2371 7 L 4.2859 9.0903 127.8397 56.2913 42.3253 176.5791 *9 N 4.4885 7.9946 115.3007 51.9677 38.4923 174.1417 10 A 4.2056 8.8435 121.0364 55.2082 18.5981 177.3339 11 P 4.4291 0.0000 0.0000 65.9892 31.6740 179.6382 12 E 4.1606 8.7313 114.8514 57.0830 28.9737 178.8457 *14 R 4.4292 8.1292 121.1740 56.5529 32.0957 177.4455 15 R 3.8804 8.2865 117.1945 59.3902 29.9271 178.3512 16 A 4.0406 8.0562 120.4753 55.3455 18.4566 179.6708 17 L 4.0641 8.1124 116.9086 58.0667 41.6280 179.3263 18 Y 3.8145 8.1879 117.0611 60.7801 37.8082 178.1070 19 R 3.9397 8.1400 119.6552 59.4855 30.2123 178.2529 20 I 3.5764 8.1364 119.7013 64.5219 37.1517 177.6955 21 A 3.8854 8.0427 121.1316 55.8876 18.1772 179.2145 22 H 4.1048 8.4033 114.0440 59.3088 28.8634 177.6997 23 E 4.2240 8.7407 120.3949 59.7327 29.2534 179.8679 24 I 2.8420 7.5969 119.8469 64.0100 37.1292 178.6162 25 V 3.5264 7.5811 118.9659 66.0814 31.5329 177.6829 26 E 3.9778 8.6683 118.4922 59.5281 29.0816 179.3499 27 A 4.1439 7.9474 119.5998 54.9662 18.6040 178.3233 28 N 4.6873 8.0003 112.2472 52.6797 39.1068 174.6787 29 K 3.8557 8.3303 116.1997 55.8936 30.7435 175.9079 30 G 3.7418 6.6484 106.0897 45.3340 0.0000 173.6553 31 T 4.2756 8.1282 115.2380 63.0758 69.7375 174.0202 32 E 3.9088 8.3650 122.4872 57.8367 29.8563 176.1018 33 G 4.0016 8.8492 112.5145 46.2021 0.0000 171.9458 34 L 4.8125 7.7939 120.2999 54.6266 43.0589 175.9707 35 A 4.5389 8.4979 124.2580 50.9993 23.0131 175.2236 36 L 5.2176 8.6424 120.3248 53.0522 45.5457 176.0386 37 V 4.7418 8.8849 121.2167 61.3918 34.7895 174.5469 38 G 4.3558 9.1914 116.4887 45.6288 0.0000 172.4177 39 I 5.2746 8.2142 115.5492 57.9587 41.9232 173.8977 40 H 4.5197 9.6357 117.4408 56.3998 27.7259 173.8324 41 T 3.6837 7.3261 113.2999 64.9438 67.2725 173.7364 42 R 4.3064 7.8225 122.6058 57.9936 30.7611 178.7911 43 G 3.9230 7.8801 107.8334 47.0233 0.0000 175.6190 44 I 3.6464 7.5525 121.7903 64.0637 37.2332 176.5907 45 P 4.3145 0.0000 0.0000 65.6986 31.1056 178.7104 46 L 3.9691 7.7817 117.6984 57.4521 41.4230 179.3795 47 A 3.8772 8.2717 121.1633 55.5733 18.3131 179.1519 48 H 4.0208 7.9470 114.5906 59.2564 28.6958 178.2425 49 R 3.3970 7.8481 119.4480 59.1391 29.8693 179.1306 50 I 3.4038 7.6749 119.5303 64.2049 37.0244 178.4068 51 A 3.8227 8.0718 122.0487 54.8442 18.3059 179.5602 52 R 3.7071 7.8392 117.5948 59.6996 30.0043 178.8351 53 F 4.3767 7.7734 117.7787 60.4294 38.7653 177.7092 54 I 2.4547 7.5476 119.1518 64.0745 36.9202 178.3673 55 A 4.3291 7.7033 122.6205 54.5012 17.8540 179.2723 56 E 3.9990 7.6969 117.1607 58.2713 29.7696 177.3518 57 F 5.0159 7.0752 110.5204 56.1447 38.6964 174.9113 58 E 4.4248 8.4436 121.6874 55.6112 30.8452 175.6938 59 G 4.2654 7.5240 115.0533 44.9627 0.0000 173.8459 60 K 4.0527 7.5733 116.9164 55.9149 33.6517 175.5191 61 E 4.5590 8.3379 120.5674 54.6843 31.0587 175.0183 62 V 4.2562 7.8422 125.0236 60.4312 33.2650 173.6448 63 P 4.3966 0.0000 0.0000 62.6180 32.6750 175.3458 64 V 4.7175 8.4570 122.9568 61.2993 33.5636 175.1875 65 G 4.2222 9.6943 116.3097 45.1039 0.0000 171.9458 66 V 4.8553 8.8046 119.6713 60.7861 34.8090 174.9472 67 L 4.3660 8.5941 128.4397 53.8782 42.1608 174.5875 68 D 4.9226 8.9113 122.2168 53.6269 39.9943 173.6216 69 I 4.8290 7.8760 122.7477 59.1765 41.1130 173.7735 70 T 4.9433 9.6038 124.7399 62.1710 73.4521 172.4650 71 L 4.8039 8.4159 124.1800 52.3048 43.4291 175.6116 *83 P 4.2248 0.0000 0.0000 62.4038 32.1098 175.3499 84 Q 4.6315 9.2743 121.7983 54.0095 32.7126 174.1488 85 V 5.5718 7.9001 120.8805 60.6047 34.4015 175.5393 86 R 4.1395 8.7329 126.1946 58.8879 30.8138 176.4983 87 E 4.6986 7.5912 115.5792 55.4598 33.1386 174.2712 88 T 4.9444 8.6419 123.0936 61.8783 71.4937 173.7580 89 R 4.3405 9.2266 125.7077 54.7786 33.9181 174.1905 90 I 4.2510 7.9853 125.4357 57.7053 38.5289 175.2913 91 P 4.5451 0.0000 0.0000 61.9226 30.6797 175.8957 92 F 4.7937 7.3097 113.0633 55.9524 40.7910 172.6081 93 D 4.7160 8.6640 120.7054 52.9913 41.5854 176.1570 94 L 4.3377 8.5877 127.1610 57.6775 42.1144 177.6721 95 T 4.1013 7.8572 115.4947 65.1339 68.6178 175.0004 96 G 3.9681 9.0367 113.7118 45.8680 0.0000 173.8276 97 K 4.4761 7.7581 119.2100 55.7272 34.4382 176.1985 98 A 4.9396 8.9763 124.7756 51.1122 19.9579 175.9838 99 I 4.8369 8.7546 123.2674 60.7393 39.5779 175.3920 100 V 4.8970 8.8864 127.6358 61.0727 33.5300 174.5630 101 L 4.7114 8.9796 129.5732 54.6002 43.0933 176.2483 102 V 4.8451 9.1212 124.2433 61.2087 33.8218 173.8004 103 D 5.3056 9.2378 127.6595 52.5253 44.5271 176.0076 104 D 4.4522 8.9472 124.3020 56.0108 40.8144 176.2188 105 V 4.8738 7.6476 117.6018 60.5213 34.7046 174.0450 106 L 4.4327 9.0535 130.7170 55.1779 42.3884 174.5417 107 Y 4.6929 8.9191 126.1449 58.1101 38.9326 177.5285 108 T 4.3439 8.2076 114.1498 62.2667 69.9182 176.7555 109 G 4.0104 7.7674 111.5590 45.7210 0.0000 175.6773 110 R 3.9148 7.7203 118.7988 59.3051 29.9124 179.0894 111 T 3.8148 7.8053 114.9874 66.4725 68.5451 176.3190 112 A 3.9870 7.9708 122.1862 55.2607 18.3521 179.3472 113 R 3.7920 8.3252 117.1894 59.6771 30.1528 178.5020 114 A 3.9950 8.2421 120.3410 55.1089 18.2387 179.5274 115 A 3.9384 8.1038 119.3441 55.1667 18.5472 179.5823 116 L 3.8768 8.2280 119.3473 58.1522 42.1732 178.6268 117 D 4.2539 8.5024 118.1533 57.3170 40.9899 177.9794 118 A 3.9736 7.6907 119.6252 55.2046 18.6901 179.0760 119 L 4.0747 8.0513 117.4474 58.3911 41.3781 180.0225 120 I 4.1737 7.5958 120.3495 63.7016 36.7861 177.6085 121 D 4.3197 7.7534 117.2019 55.5311 40.8921 177.2549 122 L 4.6823 8.0798 118.5404 53.8368 43.1488 175.6263 123 G 3.8985 6.5644 104.7380 46.5366 0.0000 172.5880 124 R 4.8944 7.6444 117.7447 53.0537 30.8634 173.9197 125 P 4.8129 0.0000 0.0000 62.3249 31.8318 176.3093 126 R 4.0803 8.7313 123.8279 59.6731 30.6398 176.3595 127 R 4.5560 7.6037 116.2347 55.4996 33.8116 173.8590 128 I 5.0609 7.8822 122.5807 60.1675 40.5489 174.7049 129 Y 4.7985 9.6139 125.3245 56.6002 41.0891 174.4853 130 L 5.2114 9.3586 122.1108 53.4672 45.1493 174.7626 131 A 5.4808 9.6000 128.5232 50.3766 21.8758 175.3355 132 V 5.5716 8.7879 114.5856 58.7053 35.9822 176.2973 133 L 4.0697 8.9433 127.0281 57.9401 42.9808 176.9250 134 V 4.9566 8.3266 111.3735 59.4890 36.2299 174.0477 135 D 5.2095 8.8713 124.4263 52.3844 42.9984 175.7070 136 R 5.3160 8.0839 122.9803 55.1397 30.3359 178.5835 137 G 3.8406 8.8744 110.1445 47.0274 0.0000 172.6651 138 H 4.0600 8.5322 109.9352 56.8764 25.2562 175.4184 139 R 4.4364 7.9478 116.7233 56.7679 30.6664 176.9277 140 E 4.6893 8.8209 117.9790 55.8067 31.5215 175.6497 141 L 4.7815 7.2477 118.0003 52.7180 45.7666 174.6109 142 P 4.7723 0.0000 0.0000 62.9310 30.9870 176.7069 143 I 4.4003 7.6449 118.8312 60.3889 38.6013 175.7281 144 R 4.6221 7.9933 120.2758 54.8143 34.1015 174.3737 145 A 4.5171 8.2598 122.9661 51.4266 20.0008 177.5835 146 D 4.3465 8.7409 123.1315 56.2607 41.7449 177.1720 147 F 5.1071 7.8488 116.3553 55.5220 42.6321 174.5840 148 V 4.8003 8.5411 122.3689 61.3039 33.7541 175.2088 149 G 3.8687 9.4107 116.6553 48.8371 0.0000 173.6481 150 K 4.7534 8.4349 122.2647 54.6070 36.2670 173.9165 151 N 5.0675 8.8027 124.6652 52.3894 39.8893 174.6887 152 V 4.2624 8.6418 124.7121 60.1963 33.7066 172.7600 153 P 4.7605 0.0000 0.0000 62.8042 31.6771 176.1237 154 T 4.8823 8.5219 113.7729 59.8225 72.4316 172.7174 155 S 4.9200 8.6036 115.5031 56.1478 65.3160 175.2760 156 R 3.8511 8.7657 120.8694 59.6002 29.8382 178.5579 157 S 4.2842 7.6885 112.4155 60.6885 63.4636 174.1495 158 E 4.6764 7.7072 119.6116 56.4268 30.3733 176.6267 159 V 4.3816 8.7515 120.1427 61.4105 35.4442 173.7180 160 V 4.8208 8.3084 126.7975 61.2058 33.3807 174.6242 161 K 4.5521 9.3377 127.7767 54.6385 34.5571 175.0735 162 V 4.7353 8.4559 125.2713 61.1760 33.2297 174.7502 163 K 5.0159 9.6517 128.1099 54.8888 35.0065 175.6824 164 V 4.8453 9.3949 117.0116 59.1093 35.4572 176.1319 165 E 4.0967 9.9247 125.2248 60.1437 29.1993 179.9630 166 E 3.9786 8.2302 117.3354 58.8564 29.5481 178.6169 167 V 4.2501 7.6131 115.4932 63.3162 33.4268 176.0302 168 D 4.8602 9.0547 117.0616 53.1681 41.4036 177.8883 169 G 4.0000 9.3432 107.7891 45.4251 0.0000 173.1184 170 E 4.9037 7.4112 118.2070 55.6498 33.1925 174.4002 171 D 5.0223 8.6846 126.5546 53.8159 41.5094 175.5974 172 R 4.6538 9.0368 123.1340 55.2387 34.5421 173.6196 173 V 4.8632 8.4613 123.6093 61.2925 34.3553 173.8446 174 E 5.2874 9.6804 127.7403 54.5427 32.9899 174.6206 175 L 5.1006 8.7915 125.5974 53.3633 44.2109 175.3735 176 W 5.0845 9.3241 125.4313 55.1758 33.3132 173.6673 177 E 4.9340 8.9552 120.0355 55.4248 32.5449 175.0072 178 R 4.2539 7.9645 124.1643 56.4749 30.2573 175.4885 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 2 R 8.11 4.44 0.00 2.44 2.34 0.00 3.05 0.00 0.00 3.45 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.28 0.00 3 F 7.58 2.90 0.00 1.59 2.43 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 0.00 4 K 7.22 4.13 0.00 1.49 1.55 0.00 1.87 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.15 1.19 7.81 5 A 5.92 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.83 4.73 0.00 2.18 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 2.31 2.43 0.00 7 L 9.09 4.29 0.00 1.68 1.72 0.98 0.97 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 *9 N 7.99 4.49 0.00 2.87 3.16 0.00 0.00 6.00 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.84 4.21 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 11 P 0.00 4.43 0.00 2.29 2.12 0.00 4.00 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 2.13 2.13 0.00 12 E 8.73 4.16 0.00 2.19 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 0.00 2.35 2.59 0.00 *14 R 8.13 4.43 0.00 2.07 2.17 0.00 3.25 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 15 R 8.29 3.88 0.00 2.07 2.12 0.00 3.16 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 16 A 8.06 4.04 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.11 4.06 0.00 2.19 1.99 1.03 0.95 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 18 Y 8.19 3.81 0.00 3.27 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 19 R 8.14 3.94 0.00 1.97 2.14 0.00 3.16 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.71 0.00 20 I 8.14 3.58 2.05 0.00 0.00 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 1.76 0.73 0.83 0.00 0.00 21 A 8.04 3.89 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 22 H 8.40 4.10 0.00 3.28 3.24 0.00 5.65 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 23 E 8.74 4.22 0.00 1.93 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 2.41 2.64 0.00 24 I 7.60 2.84 1.71 0.00 0.00 0.60 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 -0.06 0.60 0.00 0.00 25 V 7.58 3.53 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 1.19 0.00 0.00 1.02 0.00 0.00 26 E 8.67 3.98 0.00 2.18 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 0.00 2.34 2.50 0.00 27 A 7.95 4.14 1.53 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 0.00 0.00 28 N 8.00 4.69 0.00 2.70 2.98 0.00 0.00 7.39 6.23 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 29 K 8.33 3.86 0.00 1.98 1.88 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.44 1.55 7.81 30 G 6.65 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.13 4.28 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 32 E 8.36 3.91 0.00 1.92 1.91 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 2.30 2.29 0.00 33 G 8.85 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 34 L 7.79 4.81 0.00 1.81 1.60 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.50 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.64 5.22 0.00 1.56 1.53 0.85 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.88 4.74 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 0.88 0.00 0.00 1.09 0.00 0.00 38 G 9.19 4.36 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 0.00 39 I 8.21 5.27 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.72 0.94 0.00 0.00 40 H 9.64 4.52 0.00 3.21 3.47 0.00 5.69 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.33 3.68 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 1.18 0.00 0.00 42 R 7.82 4.31 0.00 1.85 1.97 0.00 3.10 0.00 0.00 3.37 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 43 G 7.88 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 I 7.55 3.65 2.00 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 1.53 0.46 0.95 0.00 0.00 45 P 0.00 4.31 0.00 2.16 2.11 0.00 3.74 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 46 L 7.78 3.97 0.00 1.81 1.71 0.98 0.80 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 47 A 8.27 3.88 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 48 H 7.95 4.02 0.00 3.31 3.26 0.00 5.63 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 49 R 7.85 3.40 0.00 1.70 1.24 0.00 3.10 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.81 0.00 50 I 7.67 3.40 1.89 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.96 0.78 0.00 0.00 51 A 8.07 3.82 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 52 R 7.84 3.71 0.00 1.77 1.62 0.00 3.26 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 53 F 7.77 4.38 0.00 2.82 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 0.00 0.00 0.00 0.00 54 I 7.55 2.45 1.73 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 1.23 0.80 0.61 0.00 0.00 55 A 7.70 4.33 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 56 E 7.70 4.00 0.00 2.30 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 2.48 2.42 0.00 57 F 7.08 5.02 0.00 3.09 3.20 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 58 E 8.44 4.42 0.00 1.61 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 2.13 2.21 0.00 59 G 7.52 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 60 K 7.57 4.05 0.00 1.86 1.92 0.00 1.48 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.33 7.81 61 E 8.34 4.56 0.00 1.88 1.81 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 2.15 2.21 0.00 62 V 7.84 4.26 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 0.76 0.00 0.00 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1.58 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 *83 P 0.00 4.22 0.00 2.06 2.06 0.00 3.61 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 1.92 2.07 0.00 84 Q 9.27 4.63 0.00 1.97 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 85 V 7.90 5.57 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 1.11 0.00 0.00 0.96 0.00 0.00 86 R 8.73 4.14 0.00 1.84 1.96 0.00 3.29 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 87 E 7.59 4.70 0.00 1.99 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 0.00 2.23 2.28 0.00 88 T 8.64 4.94 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 1.16 0.00 0.00 89 R 9.23 4.34 0.00 1.63 1.77 0.00 3.05 0.00 0.00 3.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 90 I 7.99 4.25 1.57 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.70 -0.06 0.00 0.00 91 P 0.00 4.55 0.00 2.18 2.11 0.00 3.63 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 2.08 2.05 0.00 92 F 7.31 4.79 0.00 3.06 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 93 D 8.66 4.72 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 94 L 8.59 4.34 0.00 1.79 1.77 0.90 0.92 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 95 T 7.86 4.10 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 96 G 9.04 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 97 K 7.76 4.48 0.00 1.95 1.89 0.00 1.79 0.00 0.00 1.51 0.00 0.00 2.84 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.68 7.81 98 A 8.98 4.94 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 99 I 8.75 4.84 1.97 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.15 1.03 0.00 0.00 100 V 8.89 4.90 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 1.19 0.00 0.00 0.94 0.00 0.00 101 L 8.98 4.71 0.00 1.85 1.63 0.96 0.51 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 0.00 102 V 9.12 4.85 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 1.00 0.00 0.00 1.00 0.00 0.00 103 D 9.24 5.31 0.00 2.81 2.48 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 0.00 104 D 8.95 4.45 0.00 2.80 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 0.00 105 V 7.65 4.87 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 0.81 0.00 0.00 0.96 0.00 0.00 106 L 9.05 4.43 0.00 1.84 1.58 0.96 0.77 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 0.00 107 Y 8.92 4.69 0.00 2.99 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 0.00 108 T 8.21 4.34 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 0.49 0.00 0.00 109 G 7.77 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 0.00 0.00 0.00 110 R 7.72 3.91 0.00 1.83 1.95 0.00 3.04 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 111 T 7.81 3.81 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 112 A 7.97 3.99 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 0.00 113 R 8.33 3.79 0.00 1.93 2.09 0.00 3.25 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 114 A 8.24 4.00 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 0.00 115 A 8.10 3.94 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.23 3.88 0.00 1.90 1.87 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.50 4.25 0.00 3.03 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 A 7.69 3.97 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 0.00 119 L 8.05 4.07 0.00 1.87 1.76 0.97 0.97 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 0.00 120 I 7.60 4.17 2.00 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 1.54 1.70 0.91 0.00 0.00 121 D 7.75 4.32 0.00 2.81 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 0.00 122 L 8.08 4.68 0.00 1.67 1.66 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 123 G 6.56 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 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0.00 0.00 0.00 132 V 8.79 5.57 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 0.90 0.00 0.00 1.05 0.00 0.00 133 L 8.94 4.07 0.00 1.82 1.96 0.99 0.97 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 0.00 134 V 8.33 4.96 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 0.71 0.00 0.00 0.95 0.00 0.00 135 D 8.87 5.21 0.00 2.83 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 0.00 136 R 8.08 5.32 0.00 1.82 1.95 0.00 2.91 0.00 0.00 2.25 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.42 0.00 137 G 8.87 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 H 8.53 4.06 0.00 3.74 3.56 0.00 5.63 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 7.95 4.44 0.00 1.80 2.05 0.00 3.44 0.00 0.00 3.41 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 140 E 8.82 4.69 0.00 1.93 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 141 L 7.25 4.78 0.00 1.62 1.47 0.95 1.06 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 0.00 142 P 0.00 4.77 0.00 2.02 2.05 0.00 3.65 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 2.01 2.09 0.00 143 I 7.64 4.40 1.87 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 1.28 0.94 0.91 0.00 0.00 144 R 7.99 4.62 0.00 1.71 1.75 0.00 3.36 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 145 A 8.26 4.52 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 D 8.74 4.35 0.00 2.04 1.92 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 0.00 147 F 7.85 5.11 0.00 3.01 2.91 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 0.00 148 V 8.54 4.80 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 0.86 0.00 0.00 0.97 0.00 0.00 149 G 9.41 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 0.00 0.00 0.00 150 K 8.43 4.75 0.00 1.84 1.63 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.36 1.45 7.81 151 N 8.80 5.07 0.00 2.66 2.76 0.00 0.00 6.73 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 V 8.64 4.26 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 0.98 0.00 0.00 1.00 0.00 0.00 153 P 0.00 4.76 0.00 1.98 1.99 0.00 3.67 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 2.03 2.09 0.00 154 T 8.52 4.88 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 155 S 8.60 4.92 0.00 4.03 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 0.00 156 R 8.77 3.85 0.00 1.83 2.07 0.00 3.22 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 157 S 7.69 4.28 0.00 4.19 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 0.00 158 E 7.71 4.68 0.00 2.01 2.01 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 2.34 2.32 0.00 159 V 8.75 4.38 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 0.74 0.00 0.00 0.98 0.00 0.00 160 V 8.31 4.82 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 0.88 0.00 0.00 0.89 0.00 0.00 161 K 9.34 4.55 0.00 1.75 1.65 0.00 0.61 0.00 0.00 1.09 0.00 0.00 2.28 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.11 1.01 7.81 162 V 8.46 4.74 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 0.83 0.00 0.00 0.97 0.00 0.00 163 K 9.65 5.02 0.00 1.85 1.84 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.44 7.81 164 V 9.39 4.85 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 0.87 0.00 0.00 0.94 0.00 0.00 165 E 9.92 4.10 0.00 1.94 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 0.00 2.37 2.58 0.00 166 E 8.23 3.98 0.00 1.91 2.04 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 2.31 2.44 0.00 167 V 7.61 4.25 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 0.91 0.00 0.00 0.93 0.00 0.00 168 D 9.05 4.86 0.00 2.62 2.65 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 0.00 0.00 0.00 0.00 169 G 9.34 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 0.00 170 E 7.41 4.90 0.00 1.89 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 2.27 2.16 0.00 171 D 8.68 5.02 0.00 2.64 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 0.00 172 R 9.04 4.65 0.00 1.86 1.79 0.00 3.47 0.00 0.00 3.32 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 173 V 8.46 4.86 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 1.02 0.00 0.00 0.99 0.00 0.00 174 E 9.68 5.29 0.00 2.44 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 0.00 2.62 2.48 0.00 175 L 8.79 5.10 0.00 1.63 1.42 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 176 W 9.32 5.08 0.00 3.30 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 0.00 177 E 8.96 4.93 0.00 1.94 1.75 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 2.24 2.27 0.00 178 R 7.96 4.25 0.00 1.81 1.77 0.00 3.55 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 * Residues marked with a * may have inaccurate shift predictions.