NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 K 4.2901 8.3149 122.1409 54.3939 33.0489 175.1421 13 K 4.2500 8.3480 123.8437 52.9339 34.1981 174.0627 *15 S 4.2838 7.9947 114.4745 58.2260 64.0437 174.1546 16 S 4.5169 8.4076 118.4551 59.9935 63.1355 175.8817 17 E 4.0577 8.1325 124.1271 59.6251 29.4049 178.4637 18 L 4.0371 7.9913 119.6614 57.8819 42.0672 178.5160 19 F 4.3167 8.2803 120.5199 61.6408 39.5522 177.1345 20 T 3.5156 8.2539 109.7611 64.6533 68.5428 176.4757 21 L 4.0264 8.0335 121.8560 57.8216 41.6127 179.6393 22 T 3.8960 8.0913 115.8259 66.7232 68.3107 176.1811 23 Y 4.0654 8.1731 121.8899 60.4953 38.6457 178.3506 24 G 3.9655 8.3032 106.5142 47.1615 0.0000 175.4964 25 A 3.9431 7.9022 123.2292 54.5993 18.2739 179.4717 26 L 3.7488 7.7306 118.8274 58.2905 42.2109 179.4071 27 V 3.2652 7.2211 118.0251 66.1748 31.4825 178.0450 28 T 3.8237 7.9326 115.5917 66.6190 68.2563 176.4052 29 Q 3.9274 8.1963 121.6655 59.2355 29.1389 178.2914 30 L 4.1194 8.2166 120.2984 57.9791 41.6044 179.3606 31 C 4.2530 8.2328 116.8763 62.5705 27.7955 176.1587 32 K 3.9600 7.7190 118.9799 59.7276 31.7494 178.8980 33 D 4.2678 8.0243 117.8138 56.5346 40.4061 177.3808 34 Y 4.5028 8.0853 116.1483 57.2162 39.5876 176.1238 35 E 3.6719 8.3650 116.9426 56.3626 28.0943 174.4575 36 N 4.9033 7.8636 115.3544 51.3930 42.4168 174.7318 37 D 4.4033 8.9317 126.1373 57.4156 41.1004 178.2826 38 E 3.9641 8.1424 119.4544 59.2400 29.6739 178.4775 39 D 4.1693 7.9709 119.1470 56.9940 40.8083 178.8633 40 V 3.3768 7.3646 118.8361 65.8828 31.5695 177.6329 41 N 4.2399 8.3355 116.6516 56.4351 38.4484 177.2977 42 K 3.9173 7.8093 120.4118 59.3763 32.0298 178.7082 43 Q 3.8699 7.7267 118.9837 59.0050 29.3646 177.6088 44 L 4.1328 8.2693 120.4689 58.0197 41.6140 179.0902 45 D 4.5189 8.3120 120.1843 57.8805 41.1163 179.5102 46 R 4.3917 7.9708 118.7836 58.7942 29.1888 180.4664 *48 G 4.0610 8.0122 110.1223 46.7759 0.0000 175.2415 49 Y 4.1700 8.3868 121.7130 60.6268 38.2968 178.1864 50 N 4.4168 8.3945 117.1954 56.1172 38.5908 177.6198 51 I 3.6549 7.7577 121.0722 64.3179 37.3357 178.4092 52 G 3.5325 8.2876 106.9444 47.9556 0.0000 176.1250 53 V 3.5636 7.3031 113.5327 63.6052 31.5581 178.4498 54 R 4.1439 7.3602 117.6628 58.5442 30.2719 178.3175 55 L 3.7780 8.2092 120.4756 58.2699 41.9388 178.6535 56 I 3.7531 7.7210 118.3458 64.5155 37.6255 177.6467 57 E 4.0618 8.0714 119.3476 59.1836 29.0355 178.7211 58 D 4.3577 8.0435 116.9327 57.2289 41.6811 177.6487 59 F 4.3003 8.5130 121.0788 61.5224 39.3134 177.0511 60 L 3.9137 8.3309 117.2559 57.7681 41.4634 179.1332 61 A 4.1833 7.7281 119.5582 53.7661 18.3368 178.7977 62 R 4.5036 7.4114 115.3567 54.9528 31.0028 175.2708 63 S 4.5011 7.1739 112.5135 57.1447 66.1501 173.0070 64 N 4.9348 8.3705 114.3456 53.2426 38.6811 176.6712 65 V 3.8147 7.8508 114.3855 61.8759 33.0024 177.6242 66 G 3.8151 7.7015 108.0047 47.1823 0.0000 175.1937 67 R 4.5267 8.4604 116.7018 55.8385 30.4330 175.7613 68 C 4.6470 7.0726 111.6192 57.6259 31.6451 173.0309 69 H 5.0275 8.2341 115.9468 54.5314 29.8864 173.3541 70 D 4.8148 8.1610 118.3474 52.9503 43.3911 175.5590 71 F 4.4220 8.5856 128.4421 61.3660 39.5568 177.4229 72 R 3.8321 7.9008 118.0303 59.2343 29.8484 177.8804 73 E 3.8896 8.6160 119.2862 59.5389 29.6358 178.8961 74 T 3.8503 8.0047 115.5625 66.5036 68.5262 176.2486 75 A 3.5983 7.6586 122.5199 55.2260 18.1234 179.4467 76 D 4.2251 7.7067 116.8233 57.4106 40.9080 179.2778 77 V 3.6259 8.0724 118.9893 66.0429 31.5175 177.9094 78 I 3.6845 8.2245 119.7139 64.6158 36.7904 178.2806 79 A 3.9122 7.8825 119.9127 54.4040 18.4567 178.9954 80 K 4.3338 8.2954 115.0857 56.9300 32.8889 177.3054 81 V 4.2663 7.5749 115.1849 64.3311 33.1815 177.1367 82 A 4.0120 8.0555 119.2760 55.2401 18.5600 179.2682 83 F 4.0932 8.6305 116.5970 60.4143 39.0458 178.0468 84 K 4.5478 7.3926 116.2903 57.4347 31.4800 177.6584 *86 Y 4.8082 7.7762 115.7223 57.2269 38.6680 175.5594 87 L 4.5755 7.9215 116.9375 53.1126 43.6832 177.6419 88 G 3.8414 8.3293 106.4413 45.8869 0.0000 173.2820 89 I 4.6816 7.3101 109.0632 58.9488 40.6210 174.7005 90 T 4.7366 8.1915 117.1916 60.8732 69.7885 172.2909 91 P 4.5309 0.0000 0.0000 62.5614 32.3835 176.4138 92 S 4.4860 8.5227 117.2227 58.4076 64.5077 173.0917 93 I 4.8019 8.0418 123.0972 60.1847 39.0746 174.8328 94 T 4.3963 8.8746 120.5582 61.3608 71.4657 172.1553 95 N 4.3522 8.7649 116.3305 53.7710 35.9728 175.2381 96 W 4.4466 8.2242 116.7042 56.6807 30.2179 177.0341 97 S 4.4987 9.1393 117.6576 57.4998 63.3765 173.4262 98 P 4.2241 0.0000 0.0000 65.9574 31.0630 178.0928 99 A 4.0409 8.0360 118.4679 53.2984 18.4463 178.1949 100 G 4.1154 8.2671 103.7671 46.1682 0.0000 173.7770 101 D 5.0934 8.3160 117.3089 53.0551 40.9188 175.5903 102 E 5.3692 8.4374 118.8501 55.1469 34.1570 174.1032 103 F 5.0031 8.0636 116.8010 55.5784 41.4873 173.2667 104 S 4.7102 8.9781 114.6095 56.5908 66.3983 173.4744 105 L 4.8544 8.5307 123.8428 53.5436 43.3686 175.4424 106 I 4.7957 8.5739 125.6843 59.5253 39.4899 174.8151 107 L 5.0277 8.8290 126.9665 52.9774 44.4928 177.6527 108 E 4.3295 8.9865 121.1835 58.0207 30.1343 175.8540 109 N 4.8860 7.5836 114.0115 51.6132 40.0092 171.8811 110 N 4.8456 8.6365 116.7743 51.8994 40.3415 173.3789 111 P 4.4846 0.0000 0.0000 66.3256 31.3301 178.0724 112 L 4.1252 7.7332 114.3344 54.4930 41.1004 177.2177 113 V 4.2957 7.5246 118.9794 61.1909 32.1677 174.7651 114 D 4.4366 8.8840 130.5582 56.5296 41.2064 177.4819 *115 F 4.5079 7.8238 118.9533 54.9711 40.0433 177.7673 116 V 3.4804 8.3926 126.2148 60.5315 31.9417 172.9819 *121 N 4.6964 8.2359 110.3735 54.4116 39.1420 170.4639 122 H 5.5650 7.5883 114.5958 54.8854 30.3789 177.0673 123 S 4.1407 8.3672 116.7582 60.9984 62.5131 177.5035 124 A 4.2983 7.8410 120.6945 53.3563 18.9281 177.3754 125 L 4.1023 7.6694 118.6332 55.4368 42.5857 177.1544 126 I 4.1443 9.1400 128.1048 59.4169 36.4840 175.3669 127 Y 4.0218 8.3895 126.9323 60.3038 39.0059 178.0185 128 S 5.0693 7.5369 113.2123 57.7424 63.3553 175.4921 129 N 4.6428 8.1523 121.5905 56.1333 38.4567 175.9800 130 L 4.5885 8.1169 123.0337 57.9199 42.0317 178.7076 131 L 4.0435 8.1407 118.6574 57.9372 41.5158 179.2577 132 C 4.2523 8.2302 117.0060 62.7502 28.0694 176.3971 133 G 3.6939 8.1107 106.8571 47.7349 0.0000 175.7353 134 V 3.7032 7.8371 120.7615 65.6992 31.5269 178.1569 135 L 3.9411 7.8773 118.6825 57.7977 41.5091 179.5339 136 R 4.0398 8.1700 118.7717 59.3292 29.8422 178.7780 137 G 3.0000 8.3789 104.5300 47.5242 0.0000 175.1785 138 A 4.1841 7.8376 122.5021 54.9480 18.5008 179.5334 139 L 4.2255 7.7847 116.1951 57.2291 42.0329 179.9413 140 E 4.2090 8.1625 120.5377 55.8622 29.3197 177.8481 *142 V 4.1065 7.6367 107.5342 60.5918 33.3190 174.0898 143 Q 3.2443 8.0141 124.0306 55.7207 25.5709 170.8454 *145 A 4.3833 7.8378 121.4957 51.5507 20.2051 175.4344 146 V 4.8324 8.5169 123.7416 61.8322 35.3180 174.7446 147 E 4.8584 9.1194 123.3916 54.6073 32.1234 175.9495 148 A 5.0577 8.6004 125.7522 49.0873 21.8634 175.4390 149 K 4.6625 8.7114 120.3664 55.0400 36.6553 175.5776 150 F 4.5940 9.0278 121.7269 58.0386 38.7857 175.4047 151 V 4.4136 8.8767 117.0247 61.5926 33.5933 176.0767 152 Q 4.8870 7.9774 118.1096 54.3533 33.8103 173.6506 153 D 4.9949 9.5840 121.8520 53.0450 44.2535 176.2652 154 T 4.2269 9.0873 116.8463 64.0838 68.8824 176.4270 155 L 3.9544 8.0625 121.2403 56.8783 41.6606 177.8566 156 K 4.3262 8.0311 116.6097 55.9894 31.9956 177.2649 157 G 3.9032 8.2222 106.7349 45.5928 0.0000 174.0170 158 D 4.6570 7.7060 119.6175 53.4675 41.6761 177.5634 159 G 3.6499 8.4864 109.3753 48.0406 0.0000 173.6347 160 V 4.6287 7.3823 110.6506 60.1169 36.4906 174.6223 161 T 4.8424 8.9845 118.4189 62.1844 70.6424 173.9085 162 E 5.0204 9.1622 126.5484 54.5061 33.1180 173.9722 163 I 4.3823 8.4438 128.0729 59.6995 39.5870 175.8164 164 R 4.2655 8.6607 128.7257 54.8677 33.0225 174.3119 *166 R 4.5599 8.2239 118.7327 56.0051 31.4138 174.2585 167 F 4.1593 8.8651 130.0960 58.5868 39.1894 174.4068 168 I 4.1158 7.9801 127.9777 62.4864 37.5276 176.1118 169 R 4.2588 6.4414 114.5548 54.7438 31.9245 174.1776 170 R 4.3410 8.5789 119.7660 56.3782 30.9944 176.2669 171 I 4.1704 8.3732 124.9287 60.1883 37.7947 176.3209 172 E 4.3268 8.6797 129.0526 55.6175 28.2488 176.7094 173 D 4.5744 8.2053 120.7747 52.9610 40.2209 175.9766 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 12 K 8.31 4.29 0.00 1.79 1.70 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 13 K 8.35 4.25 0.00 1.81 1.76 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.42 7.81 *15 S 7.99 4.28 0.00 3.88 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 16 S 8.41 4.52 0.00 4.29 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 0.00 17 E 8.13 4.06 0.00 2.17 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 2.34 2.41 0.00 18 L 7.99 4.04 0.00 1.85 1.73 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.28 4.32 0.00 3.21 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.25 3.52 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 1.43 0.00 0.00 21 L 8.03 4.03 0.00 1.75 1.77 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.09 3.90 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 1.25 0.00 0.00 23 Y 8.17 4.07 0.00 2.59 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 24 G 8.30 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 25 A 7.90 3.94 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 26 L 7.73 3.75 0.00 1.67 1.58 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.22 3.27 1.64 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 0.72 0.00 0.00 -0.24 0.00 0.00 28 T 7.93 3.82 4.34 0.00 0.00 0.00 0.00 0.00 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 29 Q 8.20 3.93 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.56 0.00 30 L 8.22 4.12 0.00 1.82 1.82 0.87 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 31 C 8.23 4.25 0.00 3.09 2.99 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 32 K 7.72 3.96 0.00 2.18 1.83 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.36 7.81 33 D 8.02 4.27 0.00 2.54 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 0.00 0.00 0.00 0.00 34 Y 8.09 4.50 0.00 3.12 2.95 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 35 E 8.37 3.67 0.00 2.34 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.09 0.00 36 N 7.86 4.90 0.00 2.76 2.79 0.00 0.00 7.27 8.37 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 37 D 8.93 4.40 0.00 2.75 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.14 3.96 0.00 2.11 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 2.37 1.97 0.00 39 D 7.97 4.17 0.00 2.78 2.13 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 40 V 7.36 3.38 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 0.89 0.00 0.00 1.09 0.00 0.00 41 N 8.34 4.24 0.00 2.89 2.85 0.00 0.00 6.70 7.02 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 42 K 7.81 3.92 0.00 1.87 1.80 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.31 7.81 43 Q 7.73 3.87 0.00 1.84 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 44 L 8.27 4.13 0.00 1.86 1.83 0.82 0.86 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 45 D 8.31 4.52 0.00 2.91 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 46 R 7.97 4.39 0.00 1.88 1.88 0.00 3.35 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 *48 G 8.01 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 8.39 4.17 0.00 3.04 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 50 N 8.39 4.42 0.00 2.85 2.89 0.00 0.00 7.08 7.37 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 51 I 7.76 3.65 2.00 0.00 0.00 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 1.56 0.56 0.81 0.00 0.00 52 G 8.29 3.53 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 0.00 53 V 7.30 3.56 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 0.31 0.00 0.00 0.85 0.00 0.00 54 R 7.36 4.14 0.00 1.76 1.92 0.00 3.13 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 55 L 8.21 3.78 0.00 1.62 1.61 0.16 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.72 3.75 1.85 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.29 0.95 0.00 0.00 57 E 8.07 4.06 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 58 D 8.04 4.36 0.00 2.70 2.97 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 59 F 8.51 4.30 0.00 3.48 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.33 3.91 0.00 1.66 1.75 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.73 4.18 1.30 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 0.00 0.00 62 R 7.41 4.50 0.00 1.57 1.77 0.00 3.26 0.00 0.00 3.51 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 63 S 7.17 4.50 0.00 3.55 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 N 8.37 4.93 0.00 2.64 2.79 0.00 0.00 6.91 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 65 V 7.85 3.81 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 0.91 0.00 0.00 1.04 0.00 0.00 66 G 7.70 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 67 R 8.46 4.53 0.00 1.80 1.94 0.00 3.40 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 68 C 7.07 4.65 0.00 3.09 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.23 5.03 0.00 3.18 3.36 0.00 5.68 0.00 0.00 0.00 0.00 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.16 4.81 0.00 2.78 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 71 F 8.59 4.42 0.00 2.72 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 72 R 7.90 3.83 0.00 1.57 1.85 0.00 2.92 0.00 0.00 2.82 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.07 0.00 73 E 8.62 3.89 0.00 2.11 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 2.32 2.34 0.00 74 T 8.00 3.85 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 75 A 7.66 3.60 0.22 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 76 D 7.71 4.23 0.00 2.80 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 77 V 8.07 3.63 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 1.26 0.00 0.00 1.07 0.00 0.00 78 I 8.22 3.68 2.07 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 1.46 0.60 1.17 0.00 0.00 79 A 7.88 3.91 1.30 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 0.00 0.00 80 K 8.30 4.33 0.00 1.84 1.88 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.49 7.81 81 V 7.57 4.27 2.45 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 1.24 0.00 0.00 1.01 0.00 0.00 82 A 8.06 4.01 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 83 F 8.63 4.09 0.00 3.19 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 84 K 7.39 4.55 0.00 1.86 1.92 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.37 7.81 *86 Y 7.78 4.81 0.00 2.99 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 87 L 7.92 4.58 0.00 1.85 1.70 0.78 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 88 G 8.33 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 89 I 7.31 4.68 1.95 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.22 0.99 0.00 0.00 90 T 8.19 4.74 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 1.24 0.00 0.00 91 P 0.00 4.53 0.00 1.75 1.64 0.00 3.83 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.59 0.00 92 S 8.52 4.49 0.00 3.80 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 93 I 8.04 4.80 1.87 0.00 0.00 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 1.06 0.48 0.74 0.00 0.00 94 T 8.87 4.40 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 1.17 0.00 0.00 95 N 8.76 4.35 0.00 2.82 2.84 0.00 0.00 6.84 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 96 W 8.22 4.45 0.00 3.36 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 97 S 9.14 4.50 0.00 4.11 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 98 P 0.00 4.22 0.00 2.11 2.21 0.00 3.76 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 2.08 2.16 0.00 99 A 8.04 4.04 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 0.00 100 G 8.27 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 0.00 101 D 8.32 5.09 0.00 2.87 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 0.00 102 E 8.44 5.37 0.00 1.96 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 2.34 2.38 0.00 103 F 8.06 5.00 0.00 1.76 1.45 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 0.00 0.00 0.00 0.00 104 S 8.98 4.71 0.00 3.69 3.63 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 0.00 105 L 8.53 4.85 0.00 1.36 1.30 0.84 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.57 4.80 1.83 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 1.17 1.20 0.89 0.00 0.00 107 L 8.83 5.03 0.00 1.60 1.65 1.02 0.64 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 0.00 108 E 8.99 4.33 0.00 1.97 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 2.31 2.29 0.00 109 N 7.58 4.89 0.00 2.76 2.79 0.00 0.00 5.94 8.04 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 0.00 110 N 8.64 4.85 0.00 2.73 2.78 0.00 0.00 6.84 7.69 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 0.00 111 P 0.00 4.48 0.00 2.41 2.50 0.00 3.95 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 112 L 7.73 4.13 0.00 1.74 1.38 0.11 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.52 4.30 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 0.74 0.00 0.00 0.78 0.00 0.00 114 D 8.88 4.44 0.00 2.74 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 *115 F 7.82 4.51 0.00 2.24 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 0.00 0.00 0.00 0.00 116 V 8.39 3.48 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 0.86 0.00 0.00 0.93 0.00 0.00 *121 N 8.24 4.70 0.00 2.76 2.74 0.00 0.00 6.34 7.90 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 0.00 122 H 7.59 5.57 0.00 3.13 3.23 0.00 5.88 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.37 4.14 0.00 3.63 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 0.00 124 A 7.84 4.30 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 0.00 125 L 7.67 4.10 0.00 1.69 1.78 0.92 1.05 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 0.00 126 I 9.14 4.14 1.84 0.00 0.00 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 1.17 0.72 0.74 0.00 0.00 127 Y 8.39 4.02 0.00 2.99 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 0.00 128 S 7.54 5.07 0.00 3.69 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 0.00 129 N 8.15 4.64 0.00 3.11 2.86 0.00 0.00 6.85 6.19 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 0.00 130 L 8.12 4.59 0.00 2.03 1.71 1.13 0.87 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 0.00 131 L 8.14 4.04 0.00 2.02 1.78 1.11 0.91 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 0.00 132 C 8.23 4.25 0.00 3.17 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 0.00 133 G 8.11 3.69 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 0.00 134 V 7.84 3.70 2.13 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 0.94 0.00 0.00 0.94 0.00 0.00 135 L 7.88 3.94 0.00 1.91 1.73 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 136 R 8.17 4.04 0.00 1.96 2.05 0.00 3.13 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.85 0.00 137 G 8.38 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 0.00 0.00 0.00 138 A 7.84 4.18 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 0.00 139 L 7.78 4.23 0.00 1.74 1.88 1.12 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 140 E 8.16 4.21 0.00 2.28 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 0.00 2.37 2.43 0.00 *142 V 7.64 4.11 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 0.85 0.00 0.00 1.12 0.00 0.00 143 Q 8.01 3.24 0.00 2.31 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.57 0.00 0.00 0.00 0.00 0.00 2.27 2.16 0.00 *145 A 7.84 4.38 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 0.00 146 V 8.52 4.83 2.18 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 0.90 0.00 0.00 1.20 0.00 0.00 147 E 9.12 4.86 0.00 1.73 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 0.00 2.15 2.10 0.00 148 A 8.60 5.06 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 0.00 149 K 8.71 4.66 0.00 1.82 1.85 0.00 1.32 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.38 7.81 150 F 9.03 4.59 0.00 2.97 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 0.00 151 V 8.88 4.41 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 0.66 0.00 0.00 0.92 0.00 0.00 152 Q 7.98 4.89 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 153 D 9.58 4.99 0.00 2.67 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 T 9.09 4.23 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 1.25 0.00 0.00 155 L 8.06 3.95 0.00 1.68 1.70 0.74 0.78 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 0.00 156 K 8.03 4.33 0.00 1.85 1.81 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.50 7.81 157 G 8.22 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 0.00 158 D 7.71 4.66 0.00 2.93 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 G 8.49 3.65 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 0.00 0.00 0.00 160 V 7.38 4.63 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.94 0.00 0.00 161 T 8.98 4.84 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 162 E 9.16 5.02 0.00 1.97 1.74 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 2.09 2.17 0.00 163 I 8.44 4.38 1.58 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.02 0.58 0.00 0.00 164 R 8.66 4.27 0.00 1.76 1.70 0.00 3.01 0.00 0.00 3.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.48 0.00 *166 R 8.22 4.56 0.00 1.94 1.81 0.00 3.21 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 167 F 8.87 4.16 0.00 1.51 2.44 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 0.00 168 I 7.98 4.12 1.75 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.56 0.78 0.00 0.00 169 R 6.44 4.26 0.00 1.65 1.69 0.00 3.03 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.49 0.00 170 R 8.58 4.34 0.00 2.15 1.96 0.00 3.31 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.23 0.00 171 I 8.37 4.17 1.88 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 1.27 0.50 0.91 0.00 0.00 172 E 8.68 4.33 0.00 1.95 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 2.26 2.24 0.00 173 D 8.21 4.57 0.00 2.68 2.41 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 * Residues marked with a * may have inaccurate shift predictions.