NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.5387 8.2985 118.6743 56.0998 32.9929 174.8816 4 A 5.2749 7.7276 118.8927 48.5915 22.8631 170.1703 5 V 4.4143 9.2191 118.1629 60.6982 35.6310 171.7102 6 L 4.9744 8.4479 122.4621 53.6757 43.6381 175.8270 7 T 4.3098 8.2956 114.7660 62.4885 70.7514 174.6262 8 G 4.0361 7.1267 107.4216 46.1601 0.0000 172.2570 9 V 5.1852 8.5414 112.1903 59.3728 34.6061 175.5454 10 A 5.0080 9.1288 124.9838 50.4088 22.5010 175.1129 11 T 5.4841 8.1414 108.7862 59.2769 72.6067 172.7148 12 D 4.6466 8.1504 118.7288 52.8556 44.7918 175.4243 13 K 5.0630 8.6107 126.2919 57.0252 32.5576 176.6658 14 S 4.6965 8.9769 115.0053 59.4831 64.7356 173.4792 15 E 5.1716 8.1702 119.3591 55.0098 31.9127 174.7010 16 A 4.7356 9.3044 122.7325 49.9981 22.9224 174.9764 17 K 4.9538 8.1797 120.1108 54.4059 35.0233 175.1059 18 V 4.9412 8.1756 126.7811 59.0132 34.4778 174.4724 19 T 4.7361 8.2765 120.3848 61.6098 71.7647 172.8665 20 V 4.5453 8.7348 127.3625 61.3188 33.1091 174.6696 21 L 4.7795 8.8203 128.8387 53.7890 43.6640 176.8142 22 G 3.7020 9.3932 108.7971 46.7003 0.0000 174.2715 23 I 4.5395 8.1035 120.5071 59.8156 39.0825 177.1616 24 S 4.4611 8.7824 122.7412 58.3774 63.5444 174.4304 25 D 4.6790 8.2086 125.7848 54.1150 39.3506 174.6792 26 K 4.5850 8.2118 123.5763 53.6420 35.4485 173.2894 27 P 4.2443 0.0000 0.0000 64.6302 31.5459 176.7057 28 G 4.0979 9.0833 111.0126 45.6586 0.0000 175.3712 29 E 4.1788 8.1438 119.2336 59.1433 29.4438 178.5974 30 A 4.1119 8.2093 120.2237 55.3862 18.4098 179.0445 31 A 4.1098 7.6184 119.1481 55.7080 18.4318 179.9511 32 K 4.0394 7.8742 116.7688 59.7465 31.6118 179.7690 33 V 3.5880 7.7840 118.1339 65.7757 31.3805 177.9558 34 F 4.2804 7.8436 116.7542 59.6274 39.0547 177.5346 35 R 3.8551 8.5718 118.9115 59.5321 29.9565 177.8305 36 A 3.9690 7.6086 119.3901 55.5768 18.2519 179.3123 37 L 3.8672 7.5909 115.1171 57.9819 41.7223 179.7510 38 A 3.9891 8.4988 120.6099 55.5156 18.1543 179.5173 39 D 4.3089 8.5452 115.8189 56.7626 40.9112 177.8446 40 A 4.3570 7.5511 118.5428 51.0943 19.2161 176.5541 41 E 3.6526 8.1929 116.2329 57.4893 27.3220 175.1575 42 I 4.0559 7.3971 120.4221 59.8533 37.0999 175.8708 43 N 4.4531 8.6408 125.4350 53.3516 38.6979 174.3799 44 I 4.0794 8.0521 126.5001 62.0109 38.8114 174.3808 45 D 4.6251 9.0411 122.0747 55.2065 43.1102 176.9830 46 M 4.3987 6.2233 115.4688 55.4145 34.1984 176.5534 47 V 5.1125 8.2045 121.3356 61.2764 34.9996 174.2142 48 L 4.8263 9.1301 128.6995 53.6942 45.8252 174.4978 49 Q 4.8901 8.5564 125.7953 54.8791 32.2134 173.4596 50 N 4.9641 8.5922 125.0465 52.4447 41.3906 173.8272 51 V 3.8925 8.1058 111.5407 61.9667 32.4224 174.9832 *52 F 4.0084 8.0441 114.7630 56.6235 37.5098 179.0992 *56 D 4.6278 8.4825 114.2786 53.3138 41.4008 171.6599 57 G 4.0229 7.9597 104.9599 47.8879 0.0000 173.0802 58 T 4.9281 7.6696 114.0693 61.9023 72.3497 173.4211 59 T 4.7143 8.6567 116.8869 60.9974 71.5273 171.6980 60 D 5.4514 8.5986 120.8818 52.4299 45.0523 175.2055 61 I 5.0577 8.4907 122.3084 59.7009 40.6492 174.6719 62 T 5.1797 9.0039 116.3712 59.8668 71.9257 172.8544 63 F 5.6346 8.6931 118.2306 55.5918 42.0733 173.3312 64 T 5.3150 8.8563 110.3358 60.5507 71.6390 172.8438 65 C 5.1885 8.9013 117.0402 56.1197 34.1562 171.4278 66 P 4.7471 0.0000 0.0000 62.9133 31.6506 178.0851 67 R 4.0766 8.9069 121.5016 59.6388 29.7067 179.6526 68 S 4.2325 8.2012 113.6556 61.0893 63.0411 175.2929 69 D 4.8697 8.1377 119.7912 54.7938 41.1334 178.1454 70 G 4.4248 8.0153 108.6478 47.3123 0.0000 175.4847 71 R 3.4147 7.7593 119.3485 58.7038 30.3834 179.0769 72 R 3.9030 7.8724 117.3902 59.1493 30.1348 178.1973 73 A 4.0888 8.2625 121.0672 55.2144 18.0963 179.5997 74 M 3.9487 8.0337 117.3647 58.4575 31.9681 178.3218 75 E 4.1074 8.1010 119.4315 59.5341 29.5430 178.7867 76 I 3.6997 7.4151 116.6230 64.0937 38.2553 177.5456 77 L 4.4563 7.9193 119.5811 57.5555 41.2580 179.4742 78 K 4.1665 8.9701 118.6613 59.5704 32.2660 179.3738 79 K 4.2206 8.2597 116.6308 57.5020 33.1351 176.7696 80 L 4.7264 7.4891 118.6756 54.2644 41.8399 175.8499 81 Q 3.9764 7.8451 115.6275 55.5898 29.7838 175.4071 82 V 3.9529 7.0135 117.0417 60.5687 31.2683 174.7405 *85 N 4.5787 8.2879 119.5534 51.2455 39.0951 174.8530 86 W 5.4627 7.2144 117.5662 55.4387 33.1891 174.8638 87 T 4.4135 8.6477 111.0786 63.9811 69.4380 174.6017 88 N 5.3309 8.0363 117.2621 51.4476 43.8503 174.1948 89 V 4.7893 8.1979 119.4519 60.5827 34.0646 174.5262 90 L 4.7200 9.0524 126.2530 53.3453 44.2853 174.9534 91 Y 5.0165 8.4353 121.7540 56.4075 41.8457 173.8294 92 D 4.4089 8.0045 124.1975 55.3915 43.1771 177.2588 93 D 4.2232 7.6721 113.2666 53.9425 38.6438 173.3751 94 Q 4.7401 7.8701 117.7594 55.8225 30.4261 175.5940 95 V 4.3500 7.8519 118.2151 60.9819 33.5358 175.3100 96 G 4.2503 8.9440 107.9689 44.5421 0.0000 171.2033 97 K 5.1576 9.1069 124.8087 54.3042 34.8995 174.8266 98 V 4.9995 8.6910 127.1438 61.2416 34.4131 174.1877 99 S 5.3899 9.2589 123.8395 56.6685 66.5099 172.6583 100 L 4.8857 9.1047 126.9333 54.0031 43.7165 175.3976 101 V 4.5379 8.8880 126.3831 61.1346 34.1239 175.6390 102 G 4.0557 7.5369 111.4078 47.8138 0.0000 172.2282 103 A 4.1928 8.2537 119.9213 53.6330 22.3254 177.2951 104 G 4.5346 8.4600 111.6019 47.4636 0.0000 174.9411 105 M 3.8700 7.9264 120.6273 56.8785 32.2783 178.8246 106 K 3.9567 8.2311 119.7598 59.0683 32.4333 177.5640 107 S 4.3996 7.5480 111.3036 59.5287 63.9611 174.1735 108 H 4.8612 7.6022 119.3479 53.0850 28.3731 172.6190 109 P 4.4942 0.0000 0.0000 65.0879 31.5653 178.6201 110 G 3.7948 8.2634 105.7684 47.7863 0.0000 175.5177 111 V 3.8438 7.9235 120.2917 66.5301 31.6892 178.2955 112 T 3.9088 8.0149 114.6388 66.4506 68.2219 176.3690 113 A 4.0504 8.0150 122.2136 55.4222 18.4383 179.6059 114 E 3.8952 8.8740 117.4787 59.2452 28.9271 179.4090 115 F 4.2379 8.8405 121.0260 61.6485 39.5601 176.8785 116 M 4.2249 8.1802 117.6707 58.8425 31.9040 178.7420 117 E 3.9909 8.5114 118.2932 59.2848 29.1998 179.2957 118 A 3.8792 8.1521 121.1056 55.0917 18.4029 179.5052 119 L 3.8815 7.5850 115.9895 57.1352 41.8459 179.4137 120 R 3.9150 8.0022 119.1116 59.5338 29.8141 178.0401 121 D 4.5405 7.8426 116.6267 55.7548 41.0037 177.9348 122 V 4.0769 6.9734 117.7290 60.0417 33.0033 175.0946 123 N 4.1549 7.7893 116.4917 55.3692 37.2853 174.3643 124 V 4.3844 8.2925 110.8728 59.4625 34.8661 175.6605 125 N 4.5656 8.6695 123.4224 52.7240 39.6823 174.1626 126 I 4.2022 8.2262 126.6138 60.7513 37.7074 175.2739 127 E 4.3251 8.6136 125.7325 58.2910 30.3302 177.0597 128 L 4.8908 7.7060 119.2547 53.4347 46.1551 175.1719 129 I 5.2659 8.2229 123.9577 59.7556 41.3285 175.1343 130 S 4.5252 9.0383 121.5817 57.6802 65.7104 173.2353 131 T 4.9176 8.4377 114.4843 59.9882 71.7893 172.5776 132 S 4.5495 8.6943 115.5478 57.0677 66.1184 174.5108 133 E 4.1740 8.8209 118.8368 58.6300 29.7503 178.5990 134 I 4.6085 7.8480 111.4011 60.4941 39.7281 175.4062 135 R 4.7627 7.7890 122.8812 55.6320 34.1551 173.3195 136 I 4.3904 8.5681 127.7918 59.8050 39.3148 174.6030 137 S 5.2896 8.2707 123.7047 56.6851 66.0657 174.0436 138 V 5.0176 8.6372 115.9095 59.6274 36.1749 174.5084 139 L 5.1162 8.4949 124.2406 53.9864 43.5008 175.9671 140 I 5.1314 8.8756 116.0895 58.9098 42.0522 174.5395 141 R 4.2165 8.4965 120.7887 56.0227 30.3810 178.0274 142 E 3.9378 8.7520 120.6079 59.4277 29.5749 178.7793 143 D 4.4857 7.9535 117.3901 56.1208 41.4315 177.1458 144 D 4.5985 8.2571 118.8573 54.9080 40.9356 177.9443 145 L 3.9232 7.5451 120.8413 58.3469 41.6404 179.0535 146 D 4.3053 8.0957 117.3947 57.3252 40.8314 178.6154 147 A 3.9071 7.9891 120.3504 55.0951 18.4990 178.8925 148 A 3.8315 8.4246 119.2515 55.5103 18.2597 179.7259 149 A 3.8643 8.6800 119.0959 55.2609 18.4216 179.4626 150 R 3.8385 8.1564 117.2203 59.8689 30.1002 178.4157 151 A 3.9510 8.3743 120.5711 55.1539 18.2505 179.5325 152 L 3.8330 7.6771 117.0207 58.2406 41.6510 179.4625 153 H 4.1981 8.0268 116.0570 58.9155 28.4072 177.7839 154 E 3.9567 7.7832 119.1869 59.2437 29.3712 178.8095 155 Q 3.8354 7.7401 118.3519 59.1412 29.1701 177.8159 156 F 4.5887 7.9684 116.5009 57.3115 39.6707 176.0215 157 Q 4.1575 8.4359 121.9124 56.2608 29.0258 173.0867 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 3 E 8.30 4.54 0.00 1.68 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 2.21 1.90 0.00 4 A 7.73 5.27 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 9.22 4.41 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 0.63 0.00 0.00 0.91 0.00 0.00 6 L 8.45 4.97 0.00 1.42 1.44 0.77 0.66 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 7 T 8.30 4.31 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 1.20 0.00 0.00 8 G 7.13 4.04 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 0.00 9 V 8.54 5.19 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 0.65 0.00 0.00 0.87 0.00 0.00 10 A 9.13 5.01 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.14 5.48 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 12 D 8.15 4.65 0.00 2.79 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.61 5.06 0.00 1.73 1.80 0.00 1.59 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.41 7.81 14 S 8.98 4.70 0.00 3.92 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 0.00 15 E 8.17 5.17 0.00 1.86 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 2.25 2.45 0.00 16 A 9.30 4.74 1.11 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 17 K 8.18 4.95 0.00 1.70 1.48 0.00 1.59 0.00 0.00 1.81 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.24 1.27 7.81 18 V 8.18 4.94 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 0.66 0.00 0.00 0.49 0.00 0.00 19 T 8.28 4.74 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 1.20 0.00 0.00 20 V 8.73 4.55 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 0.26 0.00 0.00 0.49 0.00 0.00 21 L 8.82 4.78 0.00 1.67 1.57 0.93 0.69 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 22 G 9.39 3.70 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 0.00 0.00 0.00 23 I 8.10 4.54 1.94 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.92 1.08 0.00 0.00 24 S 8.78 4.46 0.00 3.90 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 25 D 8.21 4.68 0.00 2.87 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.21 4.59 0.00 1.80 1.71 0.00 1.98 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.43 1.47 7.81 27 P 0.00 4.24 0.00 2.09 2.02 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 28 G 9.08 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 0.00 0.00 0.00 29 E 8.14 4.18 0.00 2.31 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 2.52 2.48 0.00 30 A 8.21 4.11 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 31 A 7.62 4.11 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 32 K 7.87 4.04 0.00 2.16 2.06 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.71 7.81 33 V 7.78 3.59 1.65 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 0.21 0.00 0.00 0.33 0.00 0.00 34 F 7.84 4.28 0.00 3.12 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 35 R 8.57 3.86 0.00 2.05 1.98 0.00 3.36 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 36 A 7.61 3.97 1.49 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 37 L 7.59 3.87 0.00 1.80 1.64 0.89 0.15 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 38 A 8.50 3.99 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 39 D 8.55 4.31 0.00 2.73 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.55 4.36 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 41 E 8.19 3.65 0.00 2.13 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 2.24 2.27 0.00 42 I 7.40 4.06 1.86 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 1.22 0.41 0.96 0.00 0.00 43 N 8.64 4.45 0.00 2.69 2.76 0.00 0.00 7.22 7.94 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 44 I 8.05 4.08 1.82 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.77 0.95 0.00 0.00 45 D 9.04 4.63 0.00 2.66 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 M 6.22 4.40 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.50 0.00 47 V 8.20 5.11 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 0.81 0.00 0.00 0.88 0.00 0.00 48 L 9.13 4.83 0.00 1.73 1.44 0.98 0.53 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 49 Q 8.56 4.89 0.00 2.10 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.52 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 50 N 8.59 4.96 0.00 2.72 2.74 0.00 0.00 7.09 7.71 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 51 V 8.11 3.89 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 0.74 0.00 0.00 0.94 0.00 0.00 *52 F 8.04 4.01 0.00 2.36 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 *56 D 8.48 4.63 0.00 2.72 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 57 G 7.96 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.67 4.93 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 1.33 0.00 0.00 59 T 8.66 4.71 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 60 D 8.60 5.45 0.00 2.59 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 61 I 8.49 5.06 1.85 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 0.71 1.20 0.00 0.00 62 T 9.00 5.18 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 63 F 8.69 5.63 0.00 3.31 3.33 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 64 T 8.86 5.32 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 65 C 8.90 5.19 0.00 3.12 3.31 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 66 P 0.00 4.75 0.00 2.41 2.06 0.00 3.67 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.16 0.00 67 R 8.91 4.08 0.00 1.89 2.05 0.00 3.14 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 68 S 8.20 4.23 0.00 3.87 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 69 D 8.14 4.87 0.00 2.90 2.74 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 70 G 8.02 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 0.00 0.00 0.00 0.00 71 R 7.76 3.41 0.00 1.73 1.89 0.00 3.22 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 72 R 7.87 3.90 0.00 1.86 2.10 0.00 3.19 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 73 A 8.26 4.09 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 M 8.03 3.95 0.00 1.93 2.12 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.50 0.00 75 E 8.10 4.11 0.00 2.01 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 2.31 2.33 0.00 76 I 7.42 3.70 1.89 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 1.55 0.86 0.99 0.00 0.00 77 L 7.92 4.46 0.00 2.06 1.77 0.87 1.34 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 78 K 8.97 4.17 0.00 1.78 1.90 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.69 1.63 7.81 79 K 8.26 4.22 0.00 1.77 1.87 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.48 1.68 7.81 80 L 7.49 4.73 0.00 1.64 1.78 0.91 0.75 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 81 Q 7.85 3.98 0.00 2.43 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.89 0.00 0.00 0.00 0.00 0.00 2.27 2.58 0.00 82 V 7.01 3.95 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 0.85 0.00 0.00 0.86 0.00 0.00 *85 N 8.29 4.58 0.00 2.68 2.75 0.00 0.00 6.09 8.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 W 7.21 5.46 0.00 3.46 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 87 T 8.65 4.41 4.29 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 1.27 0.00 0.00 88 N 8.04 5.33 0.00 2.71 2.71 0.00 0.00 6.62 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 89 V 8.20 4.79 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 0.85 0.00 0.00 0.91 0.00 0.00 90 L 9.05 4.72 0.00 1.58 1.59 0.91 0.39 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 91 Y 8.44 5.02 0.00 2.92 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.00 4.41 0.00 2.52 2.34 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 0.00 93 D 7.67 4.22 0.00 2.75 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 0.00 0.00 0.00 94 Q 7.87 4.74 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 95 V 7.85 4.35 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 0.62 0.00 0.00 0.89 0.00 0.00 96 G 8.94 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 9.11 5.16 0.00 1.82 1.67 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.36 7.81 98 V 8.69 5.00 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 1.04 0.00 0.00 0.97 0.00 0.00 99 S 9.26 5.39 0.00 3.78 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 9.10 4.89 0.00 2.13 1.67 0.79 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.89 4.54 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 0.87 0.00 0.00 0.93 0.00 0.00 102 G 7.54 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 0.00 103 A 8.25 4.19 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 0.00 104 G 8.46 4.53 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 0.00 105 M 7.93 3.87 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.40 0.00 106 K 8.23 3.96 0.00 1.72 1.97 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.42 7.81 107 S 7.55 4.40 0.00 3.83 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 H 7.60 4.86 0.00 3.15 3.27 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.49 0.00 2.27 2.32 0.00 3.71 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 2.08 2.03 0.00 110 G 8.26 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 0.00 0.00 0.00 111 V 7.92 3.84 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 0.93 0.00 0.00 0.98 0.00 0.00 112 T 8.01 3.91 4.39 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 1.20 0.00 0.00 113 A 8.02 4.05 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 0.00 114 E 8.87 3.90 0.00 2.47 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 2.30 2.55 0.00 115 F 8.84 4.24 0.00 3.51 3.27 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 0.00 116 M 8.18 4.22 0.00 2.24 2.33 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 2.71 2.71 0.00 117 E 8.51 3.99 0.00 1.98 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 2.48 0.00 118 A 8.15 3.88 1.16 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 0.00 0.00 119 L 7.58 3.88 0.00 1.87 1.87 0.95 0.59 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 0.00 120 R 8.00 3.92 0.00 1.89 2.08 0.00 3.08 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 121 D 7.84 4.54 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 0.00 122 V 6.97 4.08 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 0.76 0.00 0.00 0.90 0.00 0.00 123 N 7.79 4.15 0.00 2.87 2.84 0.00 0.00 6.88 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 0.00 124 V 8.29 4.38 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 0.72 0.00 0.00 0.97 0.00 0.00 125 N 8.67 4.57 0.00 2.66 2.71 0.00 0.00 7.18 7.94 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 0.00 126 I 8.23 4.20 1.91 0.00 0.00 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 1.52 0.73 0.98 0.00 0.00 127 E 8.61 4.33 0.00 1.99 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 2.31 2.25 0.00 128 L 7.71 4.89 0.00 1.65 1.42 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 129 I 8.22 5.27 1.85 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 1.41 0.78 0.84 0.00 0.00 130 S 9.04 4.53 0.00 3.83 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 0.00 131 T 8.44 4.92 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 1.06 0.00 0.00 132 S 8.69 4.55 0.00 3.92 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 E 8.82 4.17 0.00 1.92 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 2.38 2.30 0.00 134 I 7.85 4.61 1.92 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.87 0.89 0.00 0.00 135 R 7.79 4.76 0.00 1.84 1.71 0.00 3.02 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 136 I 8.57 4.39 1.28 0.00 0.00 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 1.01 0.47 -0.01 0.00 0.00 137 S 8.27 5.29 0.00 3.82 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 V 8.64 5.02 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 0.86 0.00 0.00 1.22 0.00 0.00 139 L 8.49 5.12 0.00 1.61 1.56 0.90 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 140 I 8.88 5.13 1.88 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 1.25 0.75 1.02 0.00 0.00 141 R 8.50 4.22 0.00 1.98 1.88 0.00 3.35 0.00 0.00 3.41 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.55 0.00 142 E 8.75 3.94 0.00 2.16 2.36 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 2.34 2.28 0.00 143 D 7.95 4.49 0.00 2.68 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 D 8.26 4.60 0.00 2.81 2.69 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 0.00 145 L 7.55 3.92 0.00 1.70 1.75 1.00 1.08 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 0.00 146 D 8.10 4.31 0.00 2.71 2.72 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 0.00 0.00 0.00 147 A 7.99 3.91 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 0.00 148 A 8.42 3.83 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 0.00 149 A 8.68 3.86 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.16 3.84 0.00 2.08 2.08 0.00 3.09 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 1.63 1.66 0.00 151 A 8.37 3.95 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 0.00 152 L 7.68 3.83 0.00 1.81 1.80 0.75 0.76 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 0.00 153 H 8.03 4.20 0.00 3.33 3.35 0.00 5.62 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 E 7.78 3.96 0.00 1.99 1.96 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 2.33 2.30 0.00 155 Q 7.74 3.84 0.00 1.65 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.86 0.00 0.00 0.00 0.00 0.00 1.62 1.16 0.00 156 F 7.97 4.59 0.00 3.16 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 Q 8.44 4.16 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.55 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.