NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7243 8.3393 109.7346 45.3877 0.0000 176.6131 *2 N 4.4994 8.9186 125.5166 52.4469 40.0492 173.8988 3 Q 3.9196 8.2947 119.4322 59.1274 28.9497 177.7910 4 R 3.7448 7.9298 119.3927 59.5459 29.9476 177.9282 5 D 4.2448 8.5038 117.7528 57.3118 41.1923 178.8551 6 V 3.6371 7.5913 118.2600 66.0536 31.3703 177.9868 7 I 3.4251 7.4530 118.1508 64.0687 37.1805 177.5196 8 L 4.0195 7.5666 117.4190 54.4231 41.5096 177.8583 9 D 4.1900 7.4279 120.5306 57.8686 41.0267 178.3446 10 C 4.0049 7.4396 116.4105 62.3607 28.0558 175.5316 11 E 4.1194 7.4530 119.8230 59.6384 29.1061 179.5416 12 K 4.0277 8.1335 118.3543 59.3481 32.0822 179.6013 13 K 3.9906 8.1964 118.9031 59.2239 31.8425 179.1692 14 L 4.0151 8.3068 120.7249 58.3136 42.1221 179.0350 15 L 3.9626 8.1194 118.9452 58.1212 41.5085 179.7279 16 T 3.8640 8.1242 115.4902 66.5494 68.3208 176.6428 17 A 3.9859 8.1946 122.7785 55.0034 18.2094 179.7850 18 I 3.2540 7.8981 118.5828 64.5690 37.0047 178.4844 19 Q 4.0551 8.1058 118.9786 58.3977 28.9021 177.0229 20 N 4.8084 7.9046 114.3774 51.6168 39.5318 174.2262 21 N 4.1759 7.8472 116.7074 54.3409 36.9880 176.2458 22 D 4.5947 8.1212 118.2969 53.1239 40.0626 174.9848 23 V 3.6282 7.9659 124.7261 65.4259 31.6929 176.9884 24 E 3.9984 8.1822 118.0184 59.5097 29.4129 179.3373 25 S 4.1219 8.3195 115.1473 61.5390 62.8951 176.6151 26 L 4.0234 7.9910 121.7077 57.9324 41.0896 179.4232 27 E 4.0077 8.0851 117.6886 59.2841 29.4093 179.1701 28 V 3.8700 7.2252 117.0277 65.6418 31.9778 177.7656 29 L 4.4396 8.2559 118.4873 55.5126 41.6230 176.5663 30 L 4.7396 7.3125 118.9092 52.9332 43.3178 175.8009 31 H 4.3478 8.7466 123.8415 55.6138 30.4867 175.6861 32 D 4.3549 8.5725 126.1480 57.3345 40.7351 177.2820 33 D 4.8114 7.9850 116.2237 53.7670 41.1236 176.2605 34 L 4.8067 7.3059 119.6619 55.2980 41.6053 176.1606 35 L 4.8688 8.0770 118.5345 52.9551 45.6866 175.5045 36 F 5.7281 9.1354 121.4529 55.8843 42.7101 174.1106 37 I 5.0543 8.7411 123.4818 59.6389 39.5853 175.2184 38 I 4.5175 8.1448 119.8688 58.2503 40.1558 174.8479 39 P 4.2375 0.0000 0.0000 65.5983 31.1415 178.3110 40 S 4.1184 7.8989 111.2720 59.6767 63.0528 175.1474 41 G 3.9208 8.2840 109.8467 44.7846 0.0000 173.2475 42 E 4.1442 7.9978 121.2638 56.4872 31.0470 175.5466 43 T 4.9193 8.4192 122.2320 62.1795 70.0185 174.0557 44 V 4.5893 9.1126 127.3594 61.2823 34.6504 175.0783 45 T 4.6301 8.2610 116.9146 60.1497 71.3136 175.4986 46 K 3.8237 8.5801 121.9394 59.8698 32.0472 178.3168 47 E 3.9826 8.1436 118.1357 59.7407 29.2242 179.4150 48 T 3.8723 7.5895 114.2690 66.5424 68.0557 176.1212 49 D 4.5059 8.2721 119.8528 57.7240 41.3410 178.4796 50 I 3.7973 8.2785 120.3013 64.3788 37.1109 178.1801 51 A 4.0099 8.3530 121.5218 55.1873 17.5694 179.5351 52 A 3.8011 7.7279 119.1906 55.5254 18.1879 179.5428 53 Y 3.9879 7.4270 114.9042 61.2264 37.7378 178.6516 54 S 4.3153 8.2025 115.6363 61.3021 63.0501 176.0764 55 S 4.4268 7.9605 114.3359 58.4764 63.1410 175.1313 56 G 3.8682 7.6903 111.8130 46.5407 0.0000 175.5701 57 K 4.0441 7.5236 120.7635 55.8999 31.9862 181.3186 58 I 4.4160 7.3798 117.2160 59.8278 39.2998 176.2588 59 A 4.6827 9.2004 128.7163 50.0959 19.1445 172.9409 60 L 4.8414 8.0681 119.4982 53.4401 42.6126 177.2215 61 R 4.2905 9.0947 121.6622 58.7352 30.2144 176.9115 62 A 4.8643 7.7903 119.2868 50.2846 23.0546 175.7130 63 V 4.7001 8.6213 119.7401 60.1095 33.6120 174.1169 64 V 4.5099 8.2472 127.6524 60.2296 33.7312 172.6372 65 P 5.2355 0.0000 0.0000 62.3967 33.0624 175.1671 66 S 4.4956 8.6985 114.4863 57.6259 66.8339 173.0955 67 D 4.4045 8.7316 117.4921 55.1042 39.1455 173.5460 68 Y 4.3815 8.1574 114.1192 58.5814 38.8877 176.6172 69 I 4.6402 9.1983 124.0693 59.6538 40.4243 174.4741 70 I 5.0522 8.5484 127.3464 59.5227 40.2991 175.3665 71 R 4.6284 9.0361 124.3600 54.6058 34.0417 174.0598 72 I 4.7240 8.4895 124.8097 59.9503 38.9320 175.7718 73 I 4.4680 8.9833 128.0581 60.2822 39.6455 177.0078 74 H 3.8486 8.2838 126.3547 57.2266 27.9346 175.4437 75 D 4.9755 9.0066 127.9513 54.4899 39.4685 175.0226 76 T 5.4884 8.3062 116.0684 62.4266 72.7411 172.9016 77 V 4.7485 9.1889 125.6037 61.1779 34.1271 174.1592 78 V 4.8425 8.9569 128.7489 61.3470 33.5104 174.4902 79 V 5.0260 9.1272 127.7596 61.1638 34.8771 173.8862 80 S 5.3829 9.1479 122.3135 56.5706 65.2893 172.9255 81 V 4.5912 8.5376 124.6987 60.5174 35.0982 172.6044 82 N 5.0785 8.7167 120.9596 53.1518 40.0646 174.1030 83 I 5.0013 8.8433 124.2815 59.4479 40.5645 174.5163 84 E 4.7464 9.2163 127.7673 56.0539 30.9100 175.7166 85 I 4.6852 9.2541 126.3057 59.5279 39.9395 174.8585 86 K 4.9234 9.7172 125.5303 53.8103 35.5557 177.0620 87 G 3.7495 7.7488 113.0968 45.3193 0.0000 170.4334 88 E 5.0189 8.2999 120.4458 55.2582 31.2003 175.8152 89 Y 4.5466 9.1660 121.4514 57.4976 40.5161 176.2616 *91 E 4.2607 8.0923 117.1058 56.9316 31.7706 175.5879 92 H 4.5480 8.0210 117.3400 55.5047 29.3212 174.1427 93 T 5.0296 8.4259 121.4583 62.0524 69.3641 174.1502 94 L 4.7786 9.1158 126.8227 52.8340 44.6405 176.2727 95 D 5.1646 8.2739 118.6438 53.5043 41.8221 173.7643 96 N 5.0296 8.9162 118.3994 52.1839 43.0961 174.9780 97 T 5.0957 8.0919 116.6094 62.1615 71.1938 173.7938 98 F 4.9577 9.0508 123.0206 55.5858 43.5190 174.2847 99 R 4.7416 8.8696 122.9873 55.6887 31.1253 174.6157 100 Y 4.8609 9.1529 125.6749 56.7176 40.0910 174.4388 101 L 5.3350 8.8547 125.9874 53.5468 44.6018 175.2953 102 R 5.1408 9.2303 124.2331 54.4622 34.8675 174.1259 103 V 4.8648 8.8021 122.9917 61.0651 34.0108 174.1283 104 W 5.4691 9.5168 128.3034 54.9376 31.9701 174.9330 105 K 5.2271 9.5137 124.9210 54.6704 35.2669 175.0375 106 L 4.2434 8.5212 129.6989 53.8458 41.7617 175.3916 107 F 4.5888 8.8383 127.8434 57.6216 42.6577 174.0616 108 D 3.9001 8.6902 125.2952 55.3247 38.2323 174.7724 109 G 3.8571 8.5572 104.3101 45.7340 0.0000 173.4329 110 N 5.0479 7.8000 116.1353 50.6029 41.4813 173.6172 111 W 5.0613 8.8218 120.0943 56.7558 29.8363 176.0493 112 K 5.2074 9.5365 123.9535 54.4003 36.0816 175.8198 113 V 3.7443 8.5015 125.1609 62.9209 32.0139 176.2231 114 I 4.1559 8.7187 121.3115 61.2548 39.5426 175.0453 115 A 4.7978 7.2666 122.4456 51.4417 22.5281 175.1915 116 G 4.6226 8.7531 106.5119 46.5480 0.0000 172.1637 117 S 5.2517 8.7832 113.4330 57.1196 66.9269 172.8066 118 C 4.2431 8.5228 121.1560 57.7610 33.5356 173.0779 119 T 4.6232 8.4529 123.2565 61.6590 70.3679 173.9340 120 A 4.3510 8.6637 128.3188 51.5640 19.9744 176.8119 121 I 3.8770 7.3290 122.1389 61.2742 37.8894 176.5997 122 G 3.9743 8.6134 115.4794 45.7212 0.0000 172.3502 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 0 G 8.34 3.72 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 0.00 0.00 0.00 *2 N 8.92 4.50 0.00 3.00 3.02 0.00 0.00 5.58 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 3 Q 8.29 3.92 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 4 R 7.93 3.74 0.00 1.85 2.01 0.00 3.20 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 1.57 1.61 0.00 5 D 8.50 4.24 0.00 2.74 2.66 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 0.00 0.00 0.00 0.00 6 V 7.59 3.64 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 1.04 0.00 0.00 0.96 0.00 0.00 7 I 7.45 3.43 1.81 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.82 0.63 0.00 0.00 8 L 7.57 4.02 0.00 1.40 1.29 0.38 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 9 D 7.43 4.19 0.00 2.88 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 C 7.44 4.00 0.00 2.03 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 0.00 0.00 0.00 11 E 7.45 4.12 0.00 1.93 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 0.00 2.25 2.28 0.00 12 K 8.13 4.03 0.00 1.82 1.84 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.16 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.58 7.81 13 K 8.20 3.99 0.00 1.98 1.90 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.46 1.58 7.81 14 L 8.31 4.02 0.00 2.22 2.09 0.94 0.85 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 15 L 8.12 3.96 0.00 1.76 1.71 0.99 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.12 3.86 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 17 A 8.19 3.99 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.90 3.25 1.96 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 1.15 0.58 1.03 0.00 0.00 19 Q 8.11 4.06 0.00 2.16 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.97 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 20 N 7.90 4.81 0.00 2.80 2.81 0.00 0.00 7.14 8.08 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 21 N 7.85 4.18 0.00 2.86 2.96 0.00 0.00 6.84 7.95 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 22 D 8.12 4.59 0.00 2.66 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 23 V 7.97 3.63 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 1.04 0.00 0.00 0.99 0.00 0.00 24 E 8.18 4.00 0.00 2.25 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 25 S 8.32 4.12 0.00 4.06 3.93 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 26 L 7.99 4.02 0.00 1.81 1.69 0.44 0.59 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 27 E 8.09 4.01 0.00 2.15 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 2.55 2.48 0.00 28 V 7.23 3.87 2.26 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 0.91 0.00 0.00 0.96 0.00 0.00 29 L 8.26 4.44 0.00 1.86 1.94 1.08 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.31 4.74 0.00 1.70 1.53 1.05 1.17 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 31 H 8.75 4.35 0.00 3.08 3.06 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.57 4.35 0.00 2.57 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 33 D 7.99 4.81 0.00 2.60 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 34 L 7.31 4.81 0.00 1.24 1.51 -0.28 0.44 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 35 L 8.08 4.87 0.00 1.51 1.52 0.89 0.90 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 36 F 9.14 5.73 0.00 3.05 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 37 I 8.74 5.05 1.89 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 1.31 0.95 0.91 0.00 0.00 38 I 8.14 4.52 1.78 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 1.27 0.88 0.00 0.00 39 P 0.00 4.24 0.00 2.04 2.19 0.00 3.53 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 2.02 2.23 0.00 40 S 7.90 4.12 0.00 3.97 3.98 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 41 G 8.28 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.00 4.14 0.00 2.11 1.83 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 2.33 2.31 0.00 43 T 8.42 4.92 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 44 V 9.11 4.59 2.29 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 1.22 0.00 0.00 1.05 0.00 0.00 45 T 8.26 4.63 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 1.19 0.00 0.00 46 K 8.58 3.82 0.00 1.71 1.79 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.53 7.81 47 E 8.14 3.98 0.00 2.05 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 2.40 2.40 0.00 48 T 7.59 3.87 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 1.24 0.00 0.00 49 D 8.27 4.51 0.00 3.18 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 50 I 8.28 3.80 1.94 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 1.53 0.68 0.97 0.00 0.00 51 A 8.35 4.01 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 52 A 7.73 3.80 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 7.43 3.99 0.00 3.06 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.20 4.32 0.00 4.02 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 55 S 7.96 4.43 0.00 4.01 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 56 G 7.69 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 57 K 7.52 4.04 0.00 1.83 1.74 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.75 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.39 1.28 7.81 58 I 7.38 4.42 1.48 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.37 0.82 0.00 0.00 59 A 9.20 4.68 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 60 L 8.07 4.84 0.00 1.64 1.70 1.11 1.24 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 61 R 9.09 4.29 0.00 1.83 2.08 0.00 3.07 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.62 0.00 62 A 7.79 4.86 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 63 V 8.62 4.70 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 1.03 0.00 0.00 0.98 0.00 0.00 64 V 8.25 4.51 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 1.07 0.00 0.00 0.95 0.00 0.00 65 P 0.00 5.24 0.00 1.99 2.00 0.00 3.87 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 2.06 2.09 0.00 66 S 8.70 4.50 0.00 3.87 3.93 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 67 D 8.73 4.40 0.00 2.78 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 68 Y 8.16 4.38 0.00 2.94 2.88 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 0.00 0.00 0.00 69 I 9.20 4.64 1.93 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 1.00 0.95 0.00 0.00 70 I 8.55 5.05 1.85 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.67 0.83 0.00 0.00 71 R 9.04 4.63 0.00 1.70 1.80 0.00 3.29 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.76 0.00 72 I 8.49 4.72 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.49 0.96 0.00 0.00 73 I 8.98 4.47 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.87 0.99 0.00 0.00 74 H 8.28 3.85 0.00 3.36 2.41 0.00 5.69 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 9.01 4.98 0.00 2.81 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 76 T 8.31 5.49 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 1.37 0.00 0.00 77 V 9.19 4.75 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.39 0.00 0.00 78 V 8.96 4.84 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 1.02 0.00 0.00 1.01 0.00 0.00 79 V 9.13 5.03 2.38 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 1.35 0.00 0.00 1.05 0.00 0.00 80 S 9.15 5.38 0.00 3.94 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 81 V 8.54 4.59 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 0.72 0.00 0.00 -0.14 0.00 0.00 82 N 8.72 5.08 0.00 2.79 2.76 0.00 0.00 6.83 7.35 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 83 I 8.84 5.00 2.11 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 1.32 1.03 0.90 0.00 0.00 84 E 9.22 4.75 0.00 1.95 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 2.33 2.30 0.00 85 I 9.25 4.69 2.23 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.44 1.01 0.00 0.00 86 K 9.72 4.92 0.00 1.75 1.70 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.56 1.40 7.81 87 G 7.75 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 88 E 8.30 5.02 0.00 2.02 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 2.28 2.38 0.00 89 Y 9.17 4.55 0.00 2.91 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *91 E 8.09 4.26 0.00 1.83 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 2.15 2.34 0.00 92 H 8.02 4.55 0.00 3.51 3.29 0.00 5.80 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 8.43 5.03 4.28 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 1.28 0.00 0.00 94 L 9.12 4.78 0.00 1.63 1.78 0.84 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.27 5.16 0.00 2.65 2.54 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 96 N 8.92 5.03 0.00 2.53 2.17 0.00 0.00 6.96 6.48 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 97 T 8.09 5.10 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 1.18 0.00 0.00 98 F 9.05 4.96 0.00 2.87 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 8.87 4.74 0.00 1.90 1.79 0.00 3.32 0.00 0.00 3.16 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 100 Y 9.15 4.86 0.00 2.98 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.85 5.33 0.00 1.78 1.55 1.07 1.11 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 0.00 102 R 9.23 5.14 0.00 1.92 1.61 0.00 2.94 0.00 0.00 3.02 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 103 V 8.80 4.86 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 1.12 0.00 0.00 0.99 0.00 0.00 104 W 9.52 5.47 0.00 3.33 3.40 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 0.00 105 K 9.51 5.23 0.00 1.87 1.68 0.00 1.59 0.00 0.00 1.47 0.00 0.00 2.84 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.45 1.45 7.81 106 L 8.52 4.24 0.00 0.27 1.00 -0.03 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 0.00 107 F 8.84 4.59 0.00 3.16 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 0.00 108 D 8.69 3.90 0.00 2.87 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 0.00 109 G 8.56 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 N 7.80 5.05 0.00 2.92 2.89 0.00 0.00 6.99 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 0.00 111 W 8.82 5.06 0.00 3.17 3.29 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 0.00 112 K 9.54 5.21 0.00 1.83 1.74 0.00 1.93 0.00 0.00 1.68 0.00 0.00 3.13 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.70 1.73 7.81 113 V 8.50 3.74 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 0.90 0.00 0.00 -0.58 0.00 0.00 114 I 8.72 4.16 1.68 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 1.22 0.47 0.70 0.00 0.00 115 A 7.27 4.80 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 0.00 116 G 8.75 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.78 5.25 0.00 3.82 3.93 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 0.00 118 C 8.52 4.24 0.00 2.33 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 0.00 119 T 8.45 4.62 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 1.18 0.00 0.00 120 A 8.66 4.35 1.22 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 0.00 121 I 7.33 3.88 1.67 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.47 0.82 0.00 0.00 122 G 8.61 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 * Residues marked with a * may have inaccurate shift predictions.