NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 E 4.2284 8.4449 118.7973 55.6202 30.7807 175.8743 10 L 3.8930 8.3808 120.5605 54.4939 40.4423 173.9377 11 Q 4.7089 9.3189 126.6796 54.0944 32.2099 173.6457 12 E 5.2016 8.7967 124.8153 54.4319 32.7614 174.9855 13 K 4.6738 8.4631 122.7200 54.5742 35.8931 174.6163 14 L 4.1275 8.4555 126.8349 54.8453 43.5071 174.6218 15 I 4.0561 8.3216 123.6634 61.9038 36.7765 176.9117 16 A 4.7476 7.7474 124.2492 51.4896 23.6740 175.5908 17 V 4.7752 8.0973 117.0486 60.4696 34.3111 175.0340 18 N 4.8263 8.4370 119.3439 52.2339 40.8622 175.4495 19 R 3.7640 8.5788 119.0576 56.7102 31.4042 176.3972 20 V 3.0627 7.8237 111.9947 63.7260 29.1518 171.6418 21 S 5.0003 8.1789 120.0762 56.1821 66.5538 173.0159 22 K 4.6233 8.2624 120.8706 54.8519 35.3161 174.7174 23 T 5.0161 7.9319 122.5738 61.8185 70.9263 173.7511 24 V 4.1107 8.5403 123.4872 61.6071 35.2783 174.8756 25 K 3.4350 8.6853 122.7510 57.0507 32.2720 176.0708 26 G 4.2955 8.9326 102.5470 48.1072 0.0000 172.2409 27 G 4.0810 7.2554 111.4069 44.2780 0.0000 174.9629 28 R 4.7979 8.5219 122.5762 54.2938 33.3398 172.3774 29 I 4.0882 8.7186 119.4656 59.2066 41.1687 174.0449 30 F 5.0532 8.1212 119.4793 56.1933 42.7216 174.3525 31 S 4.8562 9.5600 119.5389 56.4597 64.3538 173.6748 32 F 4.5436 9.5457 126.4294 57.3522 39.7894 174.3473 33 T 4.7350 8.5723 106.9106 60.3900 69.2324 170.1782 34 A 4.4533 7.9101 130.6769 49.7133 19.3284 175.5335 35 L 4.8281 8.0477 122.5767 53.2105 45.0115 175.0929 36 T 4.9438 8.8202 115.9326 60.0209 71.4686 173.3605 37 V 4.9655 8.2412 115.3919 59.9690 35.7891 174.6506 38 V 4.5158 7.7959 121.5650 61.9457 35.6126 174.7163 39 G 4.4845 8.1676 111.1409 45.8993 0.0000 171.4621 40 D 4.8193 7.6026 116.6712 51.0252 41.9920 176.7532 41 G 3.8941 9.0033 111.8337 48.6650 0.0000 173.7173 42 N 4.2853 7.7770 117.6511 55.4298 39.5941 175.8114 43 G 4.5073 7.0687 118.8936 45.7717 0.0000 171.9149 44 R 5.7564 7.6865 117.5580 54.0005 35.1273 176.1240 45 V 4.7699 8.2020 114.7578 60.5376 36.8762 173.8190 46 G 4.7991 8.4945 105.3204 46.2421 0.0000 173.8650 47 F 5.0571 8.5546 120.9263 56.9306 40.6262 174.5711 48 G 4.6984 9.1098 103.5622 47.0778 0.0000 171.6772 49 Y 5.2369 9.0063 128.5423 55.5497 40.4743 174.9837 50 G 4.5212 8.5916 112.6616 45.4690 0.0000 172.2823 51 K 5.1719 8.4604 119.4636 54.7380 36.5375 176.0751 52 A 4.2394 8.1853 122.5463 52.4868 23.4286 175.7556 53 R 3.9753 8.2662 115.0462 60.5348 29.9362 179.1007 54 E 4.1545 7.8394 115.6922 55.4007 31.3305 178.1237 55 V 3.5551 7.7544 118.7431 65.5437 31.5801 175.4961 56 P 4.2363 0.0000 0.0000 65.3890 31.0616 177.8962 57 A 4.1021 8.1773 120.7021 54.5982 17.9805 179.6107 58 A 4.1261 7.6854 118.7395 54.2175 18.2310 178.4834 59 I 4.0506 8.3368 116.1835 61.3409 38.7291 176.8271 60 Q 4.2370 7.8509 118.2877 59.9067 29.0269 177.1389 61 K 3.7856 8.3497 118.0254 59.4306 32.0231 178.4428 62 A 4.1291 8.0723 121.7931 55.4980 18.4936 179.7901 63 M 3.9783 7.9494 117.3912 58.3284 32.0672 177.9460 64 E 3.9164 8.0241 118.0591 59.7021 30.0429 178.9711 65 K 4.0828 8.0757 117.3845 59.0515 31.9292 178.8121 66 A 4.8240 7.8781 121.3300 54.9776 18.3180 179.5758 67 R 4.0019 7.9234 114.7642 58.2765 30.2718 177.7915 68 R 4.0577 7.3136 116.8378 55.2549 31.2323 175.6378 69 N 3.8648 8.7061 111.4009 54.9122 36.7080 172.5696 70 M 5.3290 7.7533 123.9822 55.3172 36.3310 173.7729 71 I 4.1393 7.9777 117.2560 61.0932 41.8112 174.1265 72 N 4.7510 8.9226 129.0351 52.6205 39.0906 173.8988 73 V 4.4013 8.3760 133.5596 62.0003 32.8246 177.4755 74 A 4.4715 8.4904 119.2340 51.7715 19.6038 175.9296 75 L 4.0676 8.2424 119.1439 57.1027 42.5155 177.6558 76 N 4.6716 8.8910 125.6335 53.2006 40.9282 171.6289 77 N 4.2189 8.3750 110.6503 54.1390 39.2085 175.2180 78 G 3.8982 9.5208 104.6629 46.2222 0.0000 171.1230 79 T 4.5910 7.0411 112.8411 60.2004 70.4962 172.3474 80 L 4.2159 8.2370 121.3334 54.6982 42.0723 177.7817 81 Q 4.2285 8.6168 120.0823 56.4569 29.2366 175.3241 82 H 4.4951 7.1760 112.5014 54.0785 31.3214 172.3212 83 P 4.4670 0.0000 0.0000 63.5179 31.4482 175.1262 84 V 4.4393 8.4137 120.6510 61.4376 35.6023 174.7778 85 K 4.5506 8.3703 123.7218 55.9265 33.1223 174.4507 86 G 4.4021 8.6371 114.3719 44.4637 0.0000 170.2297 87 V 4.9244 8.2133 114.3002 59.9566 36.0175 174.5021 88 H 4.6687 9.1373 121.3673 56.3872 33.9996 173.1822 89 T 3.4564 8.8461 123.5001 64.1794 66.7990 172.4073 90 G 4.2862 8.6876 108.8859 46.1417 0.0000 172.5881 91 S 5.1346 8.4453 114.2474 56.1806 66.3348 173.0356 92 R 4.8469 8.6638 123.4091 54.6147 32.5969 174.7221 93 V 4.9508 8.2859 123.8729 61.4420 34.4944 174.3718 94 F 5.2425 8.5615 126.9717 57.0939 42.9500 173.0126 95 M 4.5494 7.9741 124.8073 53.4050 35.8741 174.6962 96 Q 4.5224 8.0113 123.1499 53.4312 32.4566 172.0123 97 P 4.4964 0.0000 0.0000 61.5107 31.5238 175.2976 98 A 4.8199 8.2297 135.0000 51.4036 16.8482 178.9756 99 S 4.6511 8.2592 115.0787 59.2960 66.9897 173.1723 100 E 4.0093 8.4109 120.5500 57.6307 28.9543 175.7658 101 G 4.0351 8.1159 115.4753 45.7865 0.0000 174.0332 102 T 4.0781 7.4807 120.5980 60.8747 68.9541 176.8246 103 G 4.2300 8.0678 123.2754 46.9083 0.0000 172.2498 104 I 4.7091 8.4626 127.8703 59.5477 39.1656 174.7494 105 I 4.4677 8.8266 131.4707 59.4584 38.0029 174.2725 106 A 4.5415 7.9203 127.2271 50.7563 22.0885 176.6755 107 G 3.8667 8.5336 108.3731 46.0127 0.0000 175.0512 108 G 4.6670 8.5319 109.7601 45.1022 0.0000 174.1513 109 A 4.6271 7.8471 119.6572 51.9940 22.9048 177.5968 110 M 4.3831 7.9049 114.1437 55.3051 32.4575 177.4534 111 R 3.9106 7.0700 119.5178 59.1687 29.6690 177.8209 112 A 3.9989 7.8985 119.8181 54.4793 19.6908 178.2528 113 V 4.2601 6.7386 109.7204 59.0288 28.8211 174.2963 114 L 4.4103 7.0056 123.4372 55.7334 48.5291 176.6880 115 E 4.1050 7.0981 118.8047 59.3573 30.0804 178.3178 116 V 3.7645 7.8530 107.7943 62.0415 31.5597 177.8922 117 A 4.4244 8.1031 124.1520 51.5158 21.3879 177.6448 118 G 3.8201 8.8054 103.6760 46.0090 0.0000 174.0094 119 V 4.2759 8.4008 116.7525 61.6958 33.1389 174.3083 120 H 4.4227 9.4241 126.8160 58.1659 28.6709 175.8214 121 N 5.3762 7.8817 116.7291 51.4695 40.1991 174.0035 122 V 4.4513 8.9142 116.2020 59.8837 36.8471 173.4066 123 L 4.8784 8.3839 123.9075 54.5687 41.6955 175.4314 124 A 5.0412 8.4554 125.9929 49.6103 21.9257 174.4654 125 K 4.5043 8.1970 117.4427 55.9136 35.6185 173.7520 126 A 5.2257 8.1988 124.1960 49.3365 22.2509 176.3025 127 Y 4.2188 8.4170 119.0379 59.5472 41.2225 180.0807 128 G 3.0692 8.5733 112.4539 45.6139 0.0000 175.6554 129 S 4.7658 5.8100 110.9661 57.0204 65.5228 175.0304 130 T 4.5069 8.1558 111.7318 61.3734 68.4628 174.1983 131 N 4.4598 7.8823 120.1721 53.9152 39.5681 173.4666 132 P 4.2400 0.0000 0.0000 65.2356 31.9406 178.7372 133 I 3.6802 7.7778 118.8439 63.6323 37.5865 176.5125 134 N 4.8500 8.5785 116.2166 53.6923 41.4002 176.9559 135 V 3.6381 7.3001 108.4614 64.0890 31.5576 178.7098 136 V 3.6632 7.8206 119.0859 64.6824 31.2146 177.8217 137 R 4.2136 8.1630 114.9775 57.1486 29.5782 178.4220 138 A 4.0472 7.7599 122.5143 55.5092 18.4482 179.7075 139 T 3.5812 7.8653 107.7896 65.3739 68.8685 175.7626 140 I 3.8022 7.8717 122.6744 63.8530 36.9741 177.4934 141 D 4.5088 8.4840 118.9472 57.7933 40.8807 179.2938 142 G 3.8707 8.7898 106.5915 48.3852 0.0000 175.6169 143 L 4.0117 7.4164 120.7940 56.9703 41.6967 178.8938 144 E 4.0823 8.4127 118.8836 59.3143 29.6051 178.2882 145 N 4.6771 8.7791 115.7010 56.8026 38.8516 175.7450 146 M 3.6993 7.2278 123.1156 54.8277 29.4465 176.9532 147 N 4.6585 8.5000 123.6529 50.8959 37.7303 174.4939 148 S 4.0948 8.3325 116.2737 57.9093 63.3467 174.7584 149 P 4.2303 0.0000 0.0000 64.9782 31.3141 176.1602 150 E 3.8797 7.9297 116.6037 57.9515 29.4915 178.5388 151 M 3.2028 8.0380 109.1172 57.1336 28.4249 175.3915 152 V 4.4277 6.9261 128.3764 64.6066 38.5324 175.9459 153 A 4.0800 7.9880 125.4131 54.3211 18.3898 177.6816 154 A 4.6325 7.7418 115.4362 51.4027 20.5451 176.8187 155 K 4.3156 7.8509 115.8413 56.9134 32.3521 177.6018 156 R 4.7165 7.4312 114.5763 56.1331 29.4218 175.9272 157 G 4.0631 7.7796 106.2563 44.6418 0.0000 175.8000 158 K 3.4571 7.9764 120.6551 57.9077 29.9575 176.3873 *159 S 4.2715 8.6547 120.3334 59.4372 62.9091 170.9370 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 9 E 8.44 4.23 0.00 2.09 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 2.18 2.29 0.00 10 L 8.38 3.89 0.00 1.74 1.70 0.92 0.55 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 11 Q 9.32 4.71 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 12 E 8.80 5.20 0.00 1.84 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 13 K 8.46 4.67 0.00 1.82 1.59 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.34 7.81 14 L 8.46 4.13 0.00 1.68 1.52 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.32 4.06 1.83 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 1.24 0.96 0.89 0.00 0.00 16 A 7.75 4.75 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 17 V 8.10 4.78 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 0.83 0.00 0.00 1.06 0.00 0.00 18 N 8.44 4.83 0.00 2.80 2.80 0.00 0.00 6.62 7.54 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 19 R 8.58 3.76 0.00 1.73 1.87 0.00 3.03 0.00 0.00 3.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.12 0.00 20 V 7.82 3.06 2.40 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 0.99 0.00 0.00 0.99 0.00 0.00 21 S 8.18 5.00 0.00 3.94 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 22 K 8.26 4.62 0.00 1.78 1.53 0.00 1.53 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.25 1.33 7.81 23 T 7.93 5.02 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 1.22 0.00 0.00 24 V 8.54 4.11 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 0.51 0.00 0.00 0.90 0.00 0.00 25 K 8.69 3.44 0.00 1.81 1.27 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.33 1.34 7.81 26 G 8.93 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 0.00 0.00 0.00 0.00 27 G 7.26 4.08 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 0.00 0.00 0.00 28 R 8.52 4.80 0.00 1.66 1.62 0.00 3.13 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.54 0.00 29 I 8.72 4.09 1.73 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.43 0.80 0.00 0.00 30 F 8.12 5.05 0.00 2.81 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 31 S 9.56 4.86 0.00 3.77 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 32 F 9.55 4.54 0.00 2.98 3.03 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 0.00 33 T 8.57 4.73 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 1.48 0.00 0.00 34 A 7.91 4.45 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.05 4.83 0.00 1.36 1.34 0.73 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.82 4.94 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 1.26 0.00 0.00 37 V 8.24 4.97 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 0.94 0.00 0.00 1.01 0.00 0.00 38 V 7.80 4.52 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 0.99 0.00 0.00 0.94 0.00 0.00 39 G 8.17 4.48 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 0.00 40 D 7.60 4.82 0.00 2.88 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 41 G 9.00 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 0.00 0.00 0.00 42 N 7.78 4.29 0.00 2.71 2.82 0.00 0.00 7.09 8.02 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 43 G 7.07 4.51 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 0.00 0.00 0.00 44 R 7.69 5.76 0.00 1.73 1.75 0.00 3.16 0.00 0.00 3.26 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 45 V 8.20 4.77 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 0.76 0.00 0.00 0.95 0.00 0.00 46 G 8.49 4.80 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 0.00 0.00 0.00 47 F 8.55 5.06 0.00 3.09 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 48 G 9.11 4.70 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 49 Y 9.01 5.24 0.00 3.10 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.59 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.46 5.17 0.00 1.68 1.96 0.00 1.89 0.00 0.00 1.59 0.00 0.00 2.70 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.53 7.81 52 A 8.19 4.24 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 53 R 8.27 3.98 0.00 1.86 1.89 0.00 3.29 0.00 0.00 3.27 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 54 E 7.84 4.15 0.00 2.02 1.78 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 2.37 2.35 0.00 55 V 7.75 3.56 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 0.75 0.00 0.00 0.40 0.00 0.00 56 P 0.00 4.24 0.00 2.27 2.21 0.00 3.53 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 1.98 0.00 57 A 8.18 4.10 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 0.00 0.00 0.00 0.00 0.00 58 A 7.69 4.13 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 59 I 8.34 4.05 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 1.52 0.94 0.94 0.00 0.00 60 Q 7.85 4.24 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.49 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 61 K 8.35 3.79 0.00 1.85 1.83 0.00 1.76 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.82 7.81 62 A 8.07 4.13 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 63 M 7.95 3.98 0.00 2.11 2.30 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 2.62 2.59 0.00 64 E 8.02 3.92 0.00 1.94 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 2.34 2.43 0.00 65 K 8.08 4.08 0.00 1.84 1.83 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.48 7.81 66 A 7.88 4.82 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 67 R 7.92 4.00 0.00 1.96 1.99 0.00 3.16 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 68 R 7.31 4.06 0.00 1.97 1.80 0.00 3.43 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 69 N 8.71 3.86 0.00 2.62 2.53 0.00 0.00 6.56 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 M 7.75 5.33 0.00 1.83 1.87 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 71 I 7.98 4.14 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 1.23 1.38 1.00 0.00 0.00 72 N 8.92 4.75 0.00 2.77 2.72 0.00 0.00 7.07 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 73 V 8.38 4.40 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 0.78 0.00 0.00 1.02 0.00 0.00 74 A 8.49 4.47 1.24 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 0.00 0.00 75 L 8.24 4.07 0.00 1.63 1.65 0.98 1.16 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 76 N 8.89 4.67 0.00 2.80 2.69 0.00 0.00 6.72 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 N 8.38 4.22 0.00 2.80 2.83 0.00 0.00 7.32 7.67 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 78 G 9.52 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 79 T 7.04 4.59 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 80 L 8.24 4.22 0.00 1.69 1.51 0.81 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.62 4.23 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 82 H 7.18 4.50 0.00 3.13 3.26 0.00 5.57 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 P 0.00 4.47 0.00 2.17 2.08 0.00 3.76 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 2.06 2.03 0.00 84 V 8.41 4.44 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 0.89 0.00 0.00 0.90 0.00 0.00 85 K 8.37 4.55 0.00 1.87 1.72 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.34 1.49 7.81 86 G 8.64 4.40 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 0.00 87 V 8.21 4.92 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 0.73 0.00 0.00 0.96 0.00 0.00 88 H 9.14 4.67 0.00 3.11 3.09 0.00 5.73 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 89 T 8.85 3.46 4.22 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 1.20 0.00 0.00 90 G 8.69 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 0.00 0.00 0.00 0.00 91 S 8.45 5.13 0.00 4.01 3.68 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 92 R 8.66 4.85 0.00 1.83 1.78 0.00 3.08 0.00 0.00 3.13 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 93 V 8.29 4.95 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 1.03 0.00 0.00 0.99 0.00 0.00 94 F 8.56 5.24 0.00 3.03 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 95 M 7.97 4.55 0.00 1.64 1.73 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 2.44 2.38 0.00 96 Q 8.01 4.52 0.00 1.58 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.92 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 97 P 0.00 4.50 0.00 2.04 2.21 0.00 3.32 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 98 A 8.23 4.82 1.02 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 99 S 8.26 4.65 0.00 3.88 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 0.00 100 E 8.41 4.01 0.00 1.95 1.88 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 0.00 2.32 2.31 0.00 101 G 8.12 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 0.00 102 T 7.48 4.08 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 0.00 103 G 8.07 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 0.00 0.00 0.00 0.00 104 I 8.46 4.71 1.86 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 1.34 0.91 0.91 0.00 0.00 105 I 8.83 4.47 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 1.16 0.74 0.91 0.00 0.00 106 A 7.92 4.54 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 0.00 107 G 8.53 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 0.00 108 G 8.53 4.67 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 0.00 0.00 0.00 109 A 7.85 4.63 1.23 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 0.00 0.00 0.00 110 M 7.90 4.38 0.00 2.12 2.09 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 2.61 2.57 0.00 111 R 7.07 3.91 0.00 1.98 1.82 0.00 3.15 0.00 0.00 3.17 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 112 A 7.90 4.00 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 V 6.74 4.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.98 0.00 0.00 114 L 7.01 4.41 0.00 1.69 1.60 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 115 E 7.10 4.11 0.00 2.03 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 2.34 2.40 0.00 116 V 7.85 3.76 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 0.80 0.00 0.00 1.03 0.00 0.00 117 A 8.10 4.42 1.25 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 0.00 118 G 8.81 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 0.00 119 V 8.40 4.28 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 0.78 0.00 0.00 0.90 0.00 0.00 120 H 9.42 4.42 0.00 3.17 3.29 0.00 5.62 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 N 7.88 5.38 0.00 2.83 2.97 0.00 0.00 6.02 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 0.00 122 V 8.91 4.45 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 0.59 0.00 0.00 0.90 0.00 0.00 123 L 8.38 4.88 0.00 1.70 1.81 0.91 0.82 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 0.00 124 A 8.46 5.04 1.23 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 0.00 0.00 0.00 125 K 8.20 4.50 0.00 1.96 1.89 0.00 1.39 0.00 0.00 1.74 0.00 0.00 2.47 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.27 0.80 7.81 126 A 8.20 5.23 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 0.00 127 Y 8.42 4.22 0.00 3.00 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 0.00 0.00 0.00 0.00 128 G 8.57 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 0.00 0.00 0.00 129 S 5.81 4.77 0.00 3.94 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 0.00 130 T 8.16 4.51 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 1.18 0.00 0.00 131 N 7.88 4.46 0.00 2.82 2.73 0.00 0.00 7.12 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 0.00 132 P 0.00 4.24 0.00 2.17 2.00 0.00 3.67 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 133 I 7.78 3.68 1.91 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 1.29 0.44 1.06 0.00 0.00 134 N 8.58 4.85 0.00 2.67 2.78 0.00 0.00 6.84 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.30 3.64 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.05 0.00 0.00 136 V 7.82 3.66 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 0.87 0.00 0.00 137 R 8.16 4.21 0.00 1.96 2.02 0.00 2.49 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.68 0.00 138 A 7.76 4.05 1.51 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 0.00 0.00 139 T 7.87 3.58 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 1.23 0.00 0.00 140 I 7.87 3.80 2.06 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.05 0.98 0.00 0.00 141 D 8.48 4.51 0.00 2.95 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 0.00 142 G 8.79 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 0.00 143 L 7.42 4.01 0.00 1.72 1.75 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 144 E 8.41 4.08 0.00 1.93 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 145 N 8.78 4.68 0.00 2.93 2.91 0.00 0.00 7.12 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 0.00 146 M 7.23 3.70 0.00 2.02 2.28 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.54 0.00 147 N 8.50 4.66 0.00 2.66 2.77 0.00 0.00 7.13 7.57 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 0.00 148 S 8.33 4.09 0.00 4.00 4.05 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 0.00 149 P 0.00 4.23 0.00 2.06 2.18 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 150 E 7.93 3.88 0.00 1.95 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 2.36 2.42 0.00 151 M 8.04 3.20 0.00 2.20 2.48 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 152 V 6.93 4.43 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 0.92 0.00 0.00 1.03 0.00 0.00 153 A 7.99 4.08 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 0.00 154 A 7.74 4.63 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 K 7.85 4.32 0.00 1.65 1.91 0.00 1.80 0.00 0.00 1.96 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.37 7.81 156 R 7.43 4.72 0.00 1.72 1.92 0.00 3.06 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 157 G 7.78 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 0.00 158 K 7.98 3.46 0.00 1.90 1.71 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.48 7.81 *159 S 8.65 4.27 0.00 3.60 3.68 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 * Residues marked with a * may have inaccurate shift predictions.