NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *13 S 4.6412 8.3344 117.0994 58.3590 65.9398 173.5139 14 D 4.7339 8.2196 119.4917 54.5820 43.0722 175.0786 15 T 3.8518 9.8752 116.5005 66.8251 69.0446 173.5723 16 A 3.9412 8.1557 121.6696 55.5752 18.1820 179.0065 17 L 3.9257 7.8592 116.7207 58.6832 42.2185 179.4566 18 T 3.8791 7.7981 115.2545 66.7861 68.5095 176.0788 19 N 4.3536 8.4230 118.6877 56.0061 38.9588 176.7952 20 E 3.9553 7.9057 120.6392 59.1463 29.7336 178.5298 21 L 4.0650 8.3078 119.4664 58.1274 41.5083 179.7407 22 I 3.7718 7.9450 120.9502 65.1225 37.1633 178.5678 *23 H 4.3287 8.1677 119.8024 59.4271 27.8179 180.9517 24 L 4.1199 8.0247 121.2779 57.6751 41.5259 179.5018 25 L 4.1084 8.2204 118.8752 57.1508 41.4803 179.5150 26 G 3.5594 7.4389 104.4179 47.2508 0.0000 175.8495 27 H 3.7627 7.4332 118.6508 58.6242 28.5295 177.4833 28 S 4.2090 7.0174 114.3703 61.4613 62.0819 176.0767 29 R 3.8070 7.7819 121.1547 59.6567 29.8200 177.7085 30 H 4.0364 8.0865 117.9877 59.4638 29.7827 176.6231 31 D 4.4519 8.4294 122.9441 58.1316 40.8064 179.7725 *32 W 4.0632 8.0787 123.0036 61.3337 28.1946 180.1266 33 M 4.2129 8.0980 118.4268 58.8573 31.4900 178.4795 34 N 4.2866 8.3824 116.8742 56.2837 38.7661 177.6447 35 K 3.9749 8.1473 119.7903 59.5264 32.1855 179.4466 36 L 4.0900 8.1775 121.6688 58.3489 41.4840 180.2749 37 Q 4.0335 8.1450 120.8645 60.0273 28.1112 181.3655 38 L 4.1797 8.0010 120.9395 57.6519 41.6553 179.7250 39 I 3.6868 7.7563 121.8419 65.0545 37.0277 179.2030 40 K 4.0277 8.1518 124.5803 59.8482 31.4547 181.0810 41 G 3.7482 8.1801 106.2609 47.7906 0.0000 175.3149 42 N 4.4943 8.1199 117.8339 54.9832 38.6633 177.6718 43 L 3.8502 7.9930 123.6201 58.1304 41.4967 179.8896 44 S 4.1997 8.0909 120.2602 63.8517 62.3411 179.3640 45 L 4.5387 7.5378 123.8574 56.7262 41.4961 178.4283 46 Q 2.8868 7.5346 117.9508 57.7183 27.7412 177.0793 47 K 4.2970 7.1635 123.8917 55.2269 28.3814 180.3104 48 Y 4.5854 7.5243 123.1194 61.5067 38.3624 178.5675 49 D 4.7156 8.4388 121.8881 57.3545 39.6580 179.4129 50 R 4.0500 7.9591 121.9003 60.7400 29.2287 181.0894 51 V 3.7505 7.6187 117.0128 66.4003 31.6999 178.0596 52 F 4.2174 8.0789 117.0970 60.5143 38.7601 177.5538 53 E 4.0471 8.4471 118.4386 59.5301 29.2481 179.1854 54 M 4.0361 8.1693 118.6378 58.6284 32.1598 178.8003 55 I 3.7725 8.2356 122.6391 65.0813 37.2564 178.8431 56 E 4.0959 8.4213 121.5535 61.9176 29.4849 181.8025 57 E 4.2110 8.1018 118.8281 61.2911 29.8503 181.0786 58 M 4.4459 8.1249 119.7641 57.9124 32.0176 179.1298 59 V 3.6332 7.7670 118.7743 65.7938 31.6765 178.2388 60 I 3.7604 7.8429 122.0936 65.1741 37.0073 178.8279 61 D 4.3527 8.7323 122.0634 58.3079 39.5566 180.2395 62 A 4.2501 8.0752 121.9016 54.8651 18.3276 179.5851 63 K 3.8583 7.8376 117.8131 60.1507 32.2620 178.8163 64 H 4.3499 8.1852 116.3686 58.6343 28.7062 177.4069 65 E 4.3845 8.3007 123.5183 59.7108 29.3423 179.7837 66 S 4.1949 8.1316 119.0434 63.1994 62.2434 179.5106 67 K 4.0823 7.9766 121.4112 59.5424 31.7024 178.8131 68 L 4.1329 8.2354 120.2328 58.2646 41.8026 179.1765 69 S 4.2515 7.9312 113.8768 60.6532 62.7510 175.3637 70 N 4.9241 7.9818 116.6874 52.9941 39.1723 175.9370 71 L 4.3129 7.8589 122.3157 54.9019 41.3616 177.8318 72 K 4.1701 8.1711 122.0324 56.6683 29.4226 180.7430 73 T 4.8126 7.5149 114.5102 59.2488 69.0900 175.9099 74 P 4.3010 0.0000 0.0000 67.3630 31.2770 178.0530 75 H 4.5281 7.9161 115.8996 58.3045 28.8231 177.3328 76 L 3.7518 7.9171 121.5017 58.0182 41.8247 178.7126 77 A 3.7683 7.7822 120.4408 55.0741 18.3581 178.9809 78 F 3.9633 8.1971 119.0830 61.8992 39.2590 176.9890 79 D 4.5188 8.3105 118.0123 57.7369 40.4617 179.0782 80 F 4.2821 8.2513 117.1187 60.4431 38.8719 177.4655 81 L 3.9449 7.7198 118.3022 57.1179 41.8209 178.6092 82 T 3.4579 7.2645 107.8232 61.3458 69.1160 176.3056 83 F 3.6045 7.3558 125.5047 61.6064 39.2579 176.8329 84 N 4.6125 7.8023 114.0994 54.5746 38.6577 175.6817 85 W 4.6028 7.8338 119.4993 57.1096 29.5032 176.1836 86 K 4.4428 7.4772 121.5519 53.0876 34.6634 182.1622 87 T 4.0983 7.8518 109.3245 61.2801 67.1655 172.4603 88 H 5.0222 7.7817 123.2410 53.6409 32.7390 173.0898 89 Y 4.9898 8.6247 117.3002 57.5970 38.3765 175.8930 90 M 4.8634 7.7426 113.1247 54.8327 33.3251 174.3764 91 T 4.5976 8.5563 112.0159 61.4100 70.8259 173.2122 92 L 4.5521 8.6670 124.7748 53.4350 44.9529 175.0230 93 E 4.6774 8.4471 123.0103 54.9733 33.5168 173.2649 94 Y 5.4064 7.2896 121.6087 56.0203 41.8315 173.2771 95 E 4.5153 9.2321 118.9505 54.9424 33.7414 174.0739 96 V 4.7268 8.4962 124.9107 61.2346 33.8907 174.7320 97 L 4.3597 8.9432 130.2321 56.3854 42.6672 175.5018 98 G 4.0657 8.9890 112.3034 44.3380 0.0000 172.8740 99 E 4.1675 8.6253 117.4019 55.7101 30.3303 173.4245 100 I 3.9080 8.2649 120.6305 59.5353 35.9360 174.8351 101 K 4.5287 8.4927 128.3739 54.0502 34.8602 176.5059 102 D 4.7855 8.7017 124.9280 53.9770 37.9328 173.0876 103 L 4.8606 8.5933 131.7319 55.0077 42.5518 179.7056 104 S 4.3827 8.5329 122.1151 62.9566 61.9298 178.0990 105 A 3.8737 7.5407 122.6208 54.8542 18.5791 178.8123 106 Y 4.2638 7.3093 114.1496 59.8956 37.8359 177.2447 107 D 4.3644 7.5356 119.7268 58.0754 41.1234 178.7306 108 Q 4.0621 8.1732 119.7484 58.8974 28.7909 179.1994 109 K 4.0967 7.9373 124.5743 59.2088 32.0429 183.3040 110 L 4.0926 8.3468 120.4921 57.7543 41.6176 179.4423 111 A 4.0558 8.3152 123.2316 55.6702 18.2452 180.4569 112 K 3.9166 7.8144 122.1738 59.8709 31.7733 181.2401 113 L 4.1276 7.8416 121.9845 58.3075 41.9856 179.0314 114 M 3.7767 8.3639 118.9015 58.1484 31.7504 179.0044 115 R 4.2337 8.0423 120.9888 59.6108 30.2910 179.7397 116 K 4.0961 8.0334 123.6840 59.7492 31.6558 181.6256 117 L 4.3283 8.3437 120.7086 57.7509 41.4970 179.6319 118 F 4.9612 8.5599 120.5610 61.5493 38.8398 178.1766 *119 H 4.3802 8.5388 118.8463 59.5767 27.9742 180.4971 120 L 4.0086 7.9396 122.0295 57.7409 41.3836 179.6724 121 F 4.2814 8.6640 117.8470 60.9323 38.7265 177.5930 122 D 4.7011 8.6016 119.4439 57.6835 40.6589 178.8606 123 Q 4.2415 8.0605 119.9087 58.6149 28.5484 181.8113 124 A 4.8065 7.6672 119.4046 53.6398 19.9609 178.0705 125 V 4.0185 7.7147 112.1587 61.8374 32.5649 177.0662 126 S 4.2981 8.8332 120.2718 58.0380 62.0503 175.8235 127 R 3.9664 8.6400 126.4548 57.7481 29.8825 177.2321 128 E 4.6756 8.0161 114.2420 56.0237 30.0978 175.6756 129 S 4.7545 7.7714 113.5938 57.7109 66.5843 174.8789 130 E 4.3606 8.4349 123.8389 55.3759 28.0951 175.3985 131 N 4.6149 8.0209 119.8925 53.3498 40.4836 173.2972 132 H 5.3221 8.4963 121.3413 54.0724 34.1922 171.7393 133 L 5.0121 8.3326 125.6804 53.5364 45.7301 174.9813 134 T 4.9671 8.3445 121.3992 61.6271 72.1782 173.0951 135 V 5.4892 8.2601 124.3777 60.2000 34.9494 174.1676 136 S 5.2805 8.8593 123.6074 56.8119 65.7201 173.2037 137 L 4.6345 9.1276 129.2152 54.7833 42.8441 177.1948 138 Q 4.9513 8.9156 126.9902 53.8966 28.7403 172.7329 139 T 4.8342 8.4163 124.4820 60.7210 67.7967 176.4397 140 D 4.6731 7.8261 115.2627 54.7548 45.1604 177.1312 *141 H 4.3708 8.1408 121.0883 56.8506 30.4924 173.9590 142 P 4.3432 0.0000 0.0000 65.9259 30.1991 176.2647 143 D 4.5670 7.4864 117.8560 53.1882 40.4659 177.2968 144 R 4.6380 7.5334 116.2705 54.5684 31.8447 177.9981 145 Q 4.0703 8.5474 118.5197 56.4754 28.4266 174.7931 146 L 4.4661 7.2266 116.3106 55.3657 46.3864 173.2244 147 I 4.8083 8.2235 127.3230 59.4440 40.6323 174.5983 148 L 4.5440 8.5796 128.2072 54.3048 43.0261 175.4044 149 Y 5.2361 8.6894 122.4151 56.3009 40.3483 174.7728 150 L 5.0707 9.0085 125.1951 53.3517 44.2870 175.5601 151 D 4.9215 8.8866 125.7581 52.6469 42.5343 175.1921 152 F 5.1238 8.9382 126.9154 57.0895 41.6723 174.3812 153 H 5.5063 7.6656 121.8149 52.1434 32.8058 172.7300 154 G 3.9938 7.6807 111.1853 46.0253 0.0000 171.3472 155 A 5.0980 8.6135 125.1377 50.5160 23.2021 175.0342 156 F 5.0222 8.9692 116.5357 56.8232 41.9889 173.7950 157 A 4.4639 9.7928 122.1812 52.3447 21.2078 177.8768 158 D 4.6750 8.4839 121.9022 50.1234 39.6498 178.2285 159 P 4.3708 0.0000 0.0000 65.0150 31.2298 178.1242 160 S 4.2204 8.2540 112.9667 61.3031 62.1103 180.1634 161 A 3.9500 7.5021 120.5852 54.2696 18.1783 177.3784 162 F 4.6993 7.3984 116.6826 56.5797 40.9631 175.6334 *174 D 4.4456 8.3690 124.6905 54.2911 41.7563 176.4126 175 I 4.3511 8.5178 123.3957 60.1286 35.5613 172.5680 176 M 4.4845 8.4707 127.4419 53.7383 32.7808 176.4236 177 R 4.4716 7.5472 117.7125 56.2587 33.5811 172.9407 178 F 4.8325 8.7634 123.4854 57.7112 42.5705 173.6504 179 E 4.6861 9.3702 128.2791 55.4183 31.5725 171.8089 180 I 4.7772 8.3484 125.3737 59.6520 38.9842 174.4700 181 T 4.7901 8.6882 125.5282 61.6930 70.1184 175.3119 182 S 4.5339 8.7890 114.9138 61.2526 62.9467 170.8679 183 H 5.9125 8.1183 114.8197 54.1552 31.1698 172.7527 184 E 5.9472 8.5722 117.5734 56.0216 33.5594 173.6415 185 C 5.1159 8.8616 124.5944 58.6909 35.0052 172.1469 186 L 5.4928 8.6706 126.7687 52.2512 44.1001 175.7341 187 I 4.7479 8.1737 123.2899 59.4384 41.3479 173.9256 188 E 5.1556 8.8321 125.2994 54.6279 32.8693 175.1419 189 I 4.9656 8.5811 123.7085 59.5473 41.1156 174.6419 190 G 4.3756 8.7864 113.6387 44.2785 0.0000 173.0395 191 L 4.4815 8.2917 120.5144 54.6131 42.2957 176.5530 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 *13 S 8.33 4.64 0.00 3.65 3.75 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 14 D 8.22 4.73 0.00 2.77 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 0.00 0.00 0.00 0.00 15 T 9.88 3.85 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 16 A 8.16 3.94 1.31 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 0.00 0.00 0.00 17 L 7.86 3.93 0.00 1.77 1.86 0.93 0.79 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 18 T 7.80 3.88 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 1.22 0.00 0.00 19 N 8.42 4.35 0.00 2.89 2.81 0.00 0.00 6.88 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 7.91 3.96 0.00 2.31 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 0.00 2.37 2.49 0.00 21 L 8.31 4.07 0.00 1.90 1.74 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.94 3.77 2.01 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 1.38 0.48 0.89 0.00 0.00 *23 H 8.17 4.33 0.00 2.96 3.07 0.00 7.20 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.02 4.12 0.00 1.90 1.79 1.17 0.55 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 25 L 8.22 4.11 0.00 1.63 1.68 0.93 1.02 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 26 G 7.44 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 H 7.43 3.76 0.00 2.04 1.31 0.00 5.83 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.02 4.21 0.00 3.92 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 29 R 7.78 3.81 0.00 2.02 2.01 0.00 3.14 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 30 H 8.09 4.04 0.00 3.14 3.42 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 31 D 8.43 4.45 0.00 3.03 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 *32 W 8.08 4.06 0.00 2.52 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 0.00 0.00 0.00 33 M 8.10 4.21 0.00 1.97 2.17 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.93 0.00 34 N 8.38 4.29 0.00 2.84 2.82 0.00 0.00 7.12 7.00 0.00 0.00 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 K 8.15 3.97 0.00 2.00 1.85 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.47 7.81 36 L 8.18 4.09 0.00 1.89 1.69 0.91 0.73 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 37 Q 8.14 4.03 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 38 L 8.00 4.18 0.00 1.93 1.72 0.93 0.56 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 39 I 7.76 3.69 1.96 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 1.34 0.84 0.85 0.00 0.00 40 K 8.15 4.03 0.00 1.77 1.83 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.34 7.81 41 G 8.18 3.75 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 0.00 0.00 0.00 42 N 8.12 4.49 0.00 2.85 2.80 0.00 0.00 7.02 6.67 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 43 L 7.99 3.85 0.00 1.81 1.65 1.04 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.09 4.20 0.00 3.69 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.54 4.54 0.00 1.77 1.57 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 7.53 2.89 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.39 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 47 K 7.16 4.30 0.00 1.80 1.72 0.00 1.84 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.34 7.81 48 Y 7.52 4.59 0.00 3.12 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 49 D 8.44 4.72 0.00 2.96 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 50 R 7.96 4.05 0.00 1.80 1.98 0.00 3.27 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 51 V 7.62 3.75 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 0.93 0.00 0.00 0.93 0.00 0.00 52 F 8.08 4.22 0.00 3.15 3.05 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 53 E 8.45 4.05 0.00 2.23 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 2.39 2.69 0.00 54 M 8.17 4.04 0.00 2.05 2.34 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.57 0.00 55 I 8.24 3.77 1.90 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 1.35 1.14 0.93 0.00 0.00 56 E 8.42 4.10 0.00 1.99 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 2.25 2.21 0.00 57 E 8.10 4.21 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 2.24 2.22 0.00 58 M 8.12 4.45 0.00 2.07 2.27 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.54 0.00 59 V 7.77 3.63 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 1.04 0.00 0.00 1.02 0.00 0.00 60 I 7.84 3.76 2.04 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 1.38 0.45 0.95 0.00 0.00 61 D 8.73 4.35 0.00 2.63 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 62 A 8.08 4.25 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 63 K 7.84 3.86 0.00 1.83 1.93 0.00 1.53 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.45 7.81 64 H 8.19 4.35 0.00 3.18 3.41 0.00 5.67 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.30 4.38 0.00 2.28 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 0.00 2.42 2.51 0.00 66 S 8.13 4.19 0.00 3.80 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 7.98 4.08 0.00 1.99 2.02 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.66 7.81 68 L 8.24 4.13 0.00 2.04 1.70 0.85 0.59 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 69 S 7.93 4.25 0.00 4.19 3.95 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 70 N 7.98 4.92 0.00 3.05 2.83 0.00 0.00 7.06 8.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 7.86 4.31 0.00 1.70 1.70 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.17 4.17 0.00 1.83 1.83 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 0.98 7.81 73 T 7.51 4.81 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 74 P 0.00 4.30 0.00 2.07 2.08 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.68 0.00 75 H 7.92 4.53 0.00 3.23 3.37 0.00 5.80 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.92 3.75 0.00 1.57 1.44 0.48 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.78 3.77 1.43 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 0.00 0.00 78 F 8.20 3.96 0.00 3.19 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 79 D 8.31 4.52 0.00 3.17 3.08 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 0.00 0.00 0.00 0.00 80 F 8.25 4.28 0.00 2.88 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 81 L 7.72 3.94 0.00 1.50 1.42 0.95 0.81 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 82 T 7.26 3.46 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 0.70 0.00 0.00 83 F 7.36 3.60 0.00 2.94 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.80 4.61 0.00 2.62 2.92 0.00 0.00 6.86 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 85 W 7.83 4.60 0.00 3.36 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 K 7.48 4.44 0.00 1.70 1.55 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.20 7.81 87 T 7.85 4.10 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 88 H 7.78 5.02 0.00 2.76 3.10 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 8.62 4.99 0.00 3.05 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 90 M 7.74 4.86 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 91 T 8.56 4.60 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 1.25 0.00 0.00 92 L 8.67 4.55 0.00 0.27 1.02 0.21 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.45 4.68 0.00 1.94 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.10 0.00 94 Y 7.29 5.41 0.00 3.04 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.76 1.83 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 104 S 8.53 4.38 0.00 3.73 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 0.00 105 A 7.54 3.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 7.31 4.26 0.00 3.16 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 0.00 107 D 7.54 4.36 0.00 2.73 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 0.00 108 Q 8.17 4.06 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.67 0.00 0.00 0.00 0.00 0.00 2.46 2.34 0.00 109 K 7.94 4.10 0.00 1.76 1.80 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.09 7.81 110 L 8.35 4.09 0.00 1.89 1.66 0.88 0.78 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 0.00 111 A 8.32 4.06 1.38 0.00 0.00 0.00 0.00 0.00 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0.00 4.21 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 0.00 137 L 9.13 4.63 0.00 1.72 1.63 1.06 0.82 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 0.00 138 Q 8.92 4.95 0.00 1.73 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.08 0.00 0.00 0.00 0.00 0.00 2.23 2.16 0.00 139 T 8.42 4.83 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 1.22 0.00 0.00 140 D 7.83 4.67 0.00 2.67 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 *141 H 8.14 4.37 0.00 3.12 3.24 0.00 7.26 0.00 0.00 0.00 0.00 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 P 0.00 4.34 0.00 2.13 1.95 0.00 3.80 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 1.94 1.59 0.00 143 D 7.49 4.57 0.00 2.69 2.49 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 0.00 144 R 7.53 4.64 0.00 2.07 2.00 0.00 2.91 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 145 Q 8.55 4.07 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 146 L 7.23 4.47 0.00 1.36 1.25 0.72 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 147 I 8.22 4.81 1.87 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 1.23 0.61 0.91 0.00 0.00 148 L 8.58 4.54 0.00 1.62 1.58 0.92 0.54 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 0.00 149 Y 8.69 5.24 0.00 2.89 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 0.00 150 L 9.01 5.07 0.00 1.64 1.66 0.95 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 151 D 8.89 4.92 0.00 2.56 2.47 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 0.00 152 F 8.94 5.12 0.00 3.12 3.16 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 0.00 153 H 7.67 5.51 0.00 2.81 2.88 0.00 5.82 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 0.00 154 G 7.68 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 0.00 155 A 8.61 5.10 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 0.00 156 F 8.97 5.02 0.00 3.00 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 0.00 157 A 9.79 4.46 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 D 8.48 4.68 0.00 2.61 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 P 0.00 4.37 0.00 2.08 2.01 0.00 3.74 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 1.94 1.60 0.00 160 S 8.25 4.22 0.00 3.64 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 0.00 161 A 7.50 3.95 0.93 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 0.00 162 F 7.40 4.70 0.00 3.05 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 *174 D 8.37 4.45 0.00 2.39 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 0.00 175 I 8.52 4.35 1.87 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 1.34 1.10 0.91 0.00 0.00 176 M 8.47 4.48 0.00 1.91 2.13 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.47 0.00 177 R 7.55 4.47 0.00 1.98 1.82 0.00 3.33 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.02 0.00 178 F 8.76 4.83 0.00 3.08 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 0.00 179 E 9.37 4.69 0.00 2.10 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 2.26 2.30 0.00 180 I 8.35 4.78 1.90 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.70 0.82 0.00 0.00 181 T 8.69 4.79 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 182 S 8.79 4.53 0.00 3.66 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 0.00 183 H 8.12 5.91 0.00 3.15 3.29 0.00 5.80 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 0.00 184 E 8.57 5.95 0.00 2.19 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 2.38 2.26 0.00 185 C 8.86 5.12 0.00 3.21 3.06 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 0.00 186 L 8.67 5.49 0.00 1.62 1.52 1.02 0.46 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 0.00 187 I 8.17 4.75 1.73 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.23 0.81 0.00 0.00 188 E 8.83 5.16 0.00 2.05 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 2.53 2.35 0.00 189 I 8.58 4.97 1.92 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 1.15 0.68 0.86 0.00 0.00 190 G 8.79 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 0.00 0.00 0.00 0.00 191 L 8.29 4.48 0.00 1.20 1.30 0.80 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.