NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 E 4.2271 8.4449 118.7764 56.2317 31.2602 174.5969 16 L 3.8157 8.2203 119.8222 55.3208 44.0559 174.7900 17 I 5.2481 7.4452 117.5035 58.4229 40.3785 174.3755 18 E 4.4668 7.8339 123.1965 55.4189 33.4091 173.6064 19 I 4.8443 7.8938 121.1301 59.5684 39.1196 175.3207 20 R 4.7837 8.6513 121.7889 54.2013 33.3939 174.2446 21 E 4.3993 8.8355 119.0303 56.4096 30.0580 177.0546 22 A 4.4448 8.6426 125.1025 51.5031 19.7884 179.9039 23 R 4.4478 9.4919 118.4999 56.7025 30.0822 179.8542 *25 D 4.4896 9.0292 128.7905 55.0968 42.5210 176.0561 26 D 4.4754 7.9959 117.9725 54.3505 40.8517 177.5923 27 L 3.7757 7.7621 122.1954 58.6307 41.8933 178.5471 28 D 4.2484 7.8729 117.8200 57.5477 40.7281 178.8481 29 T 3.5078 7.5288 115.7239 66.5414 68.4916 176.7307 30 I 3.4278 7.6989 121.8260 64.0375 36.9082 178.4193 31 A 3.9369 7.9820 121.7584 54.9708 18.1544 179.5382 32 K 3.8587 8.0729 118.2770 59.7810 32.2093 178.9714 33 F 4.0618 8.4122 118.3917 60.6705 38.7997 177.4723 34 N 4.3758 8.4291 116.2160 56.1366 38.3413 176.7865 35 Y 3.9649 8.2740 121.2618 60.9240 38.8417 178.1134 36 N 4.3350 8.4756 117.6261 56.0143 38.5025 177.1070 37 L 4.0425 7.8505 121.9263 58.3057 42.1775 179.0407 38 A 3.9532 7.9737 120.6165 54.7565 18.3523 179.5874 39 K 4.1851 7.6202 119.4631 59.3879 32.1224 179.0831 40 E 4.1433 8.3282 117.8716 58.6715 29.4620 178.4053 41 T 4.5613 8.1239 107.5731 61.6424 70.2538 174.7700 42 E 4.5707 7.6573 117.6661 54.8160 31.3933 175.3511 43 G 3.9888 7.6450 105.1528 46.4504 0.0000 173.8782 44 K 4.4620 7.9376 117.7246 54.2647 34.0501 175.7432 45 E 4.1239 8.1852 122.7063 53.8195 29.5718 175.3332 46 L 4.1448 7.7187 124.4533 54.0581 42.6441 177.3558 47 D 4.5343 8.3205 121.2030 54.0803 42.8980 175.7687 *49 D 4.4840 8.5864 117.1942 54.4165 42.8868 177.8177 50 V 3.5963 8.2386 118.1332 65.8790 31.4302 177.7050 51 L 3.9685 8.1966 120.2968 58.4799 41.9117 178.9525 52 T 3.8620 7.9068 115.1450 66.6846 68.3543 176.5168 53 K 4.0753 8.0684 120.1494 59.4006 32.1232 179.7062 54 G 3.5967 8.3423 106.3127 47.7183 0.0000 176.0180 55 V 3.9185 8.2244 122.5418 65.0699 31.6085 177.8910 56 K 3.8644 8.2675 119.2957 59.6105 31.7888 178.4689 57 A 4.0203 8.0200 119.8234 55.0809 18.5647 179.0981 58 L 4.0457 7.8866 118.3176 58.3562 42.0031 179.1124 59 L 4.1300 8.2589 118.1558 57.7164 41.6318 178.9272 60 L 4.5640 7.8804 116.8896 55.1019 42.3658 176.5698 61 D 4.5859 7.9984 118.4794 51.8943 42.1091 175.2204 62 E 4.1800 8.6831 125.3259 58.7702 29.8071 179.7308 63 R 4.0618 8.0182 117.9813 58.4968 30.2302 177.7592 64 K 4.1206 8.1114 116.5216 57.2904 32.3463 176.5059 65 G 3.8688 6.2159 104.3273 43.2112 0.0000 172.6183 66 K 4.4188 7.2734 118.6218 54.8264 36.0328 176.0936 67 Y 4.8469 8.3967 121.2807 57.2550 40.0681 174.1769 68 H 5.1789 9.3373 119.9494 54.1282 32.6709 173.3069 69 V 4.9849 8.8028 114.4247 59.7859 35.7325 173.8696 70 Y 5.0042 8.8719 125.4557 56.5273 40.3948 174.4278 71 T 5.1482 8.6215 117.0226 59.8398 72.6799 173.2806 72 V 4.4134 8.5618 123.0497 61.2206 34.4466 175.5744 73 F 3.7248 9.8966 129.7816 58.7672 36.9545 176.7302 74 D 4.6758 8.2515 117.5550 54.2328 39.3978 174.7828 75 K 4.1355 7.8811 121.8884 55.3297 32.6533 175.8746 76 V 4.2025 8.3413 126.7635 63.1178 31.8674 175.5306 77 V 4.6938 8.7939 118.8754 61.0325 33.9108 174.8468 78 A 5.0073 7.9628 121.0057 51.2512 22.6402 175.0135 79 Q 5.1846 9.2485 116.6752 55.1289 32.8501 173.7484 80 I 5.5787 9.0196 120.0454 58.8759 42.4361 172.9514 *82 Y 4.9921 8.2694 119.6032 57.1812 39.7083 174.0849 83 T 4.8539 8.6661 110.3911 60.2004 72.5273 171.8783 84 Y 5.5290 8.4862 117.8308 56.3060 41.2322 175.4190 85 E 4.7996 9.6594 123.3113 54.0607 32.4532 174.7418 86 W 4.6501 9.2163 135.0000 57.4754 32.0511 175.0032 87 S 4.5329 8.2481 122.9464 56.4646 62.6741 174.3979 88 D 4.5743 8.7785 128.1482 56.1680 39.7001 177.8129 89 W 4.4615 8.3612 118.7657 59.0355 29.1188 176.8276 90 R 4.3046 7.8628 114.4052 55.0158 30.7385 175.2169 91 N 3.9419 7.5104 115.7829 53.5235 37.8551 172.0174 92 G 3.6516 5.7416 102.9292 45.9347 0.0000 172.0708 93 N 5.5282 8.4913 117.0728 51.5418 41.1206 174.8689 94 F 4.8612 9.2542 121.9965 56.7554 40.9069 174.3835 95 L 4.9352 8.5126 125.3985 53.6704 43.2735 175.5454 96 W 4.7524 9.3101 126.9529 54.8998 31.3167 175.2020 97 I 4.2256 8.4423 127.3117 61.4217 36.4371 176.1442 98 Q 4.5595 8.7054 125.5932 56.6867 30.7082 175.8749 99 S 4.7845 7.6439 110.9717 57.4782 66.0191 174.3276 100 V 4.9539 8.4523 120.8177 61.7818 34.6105 173.5726 101 Y 4.8357 9.0634 127.3795 56.1792 42.7324 173.4082 102 V 4.3629 7.0424 125.0365 60.4226 34.2178 174.4574 103 D 4.2721 8.5079 127.8778 54.7288 41.4582 177.6940 104 K 3.8203 8.9652 124.6038 59.6300 32.2204 177.7261 105 E 4.1065 8.8180 116.3100 57.6659 29.4471 176.6864 106 Y 4.5503 7.9861 115.5855 57.4846 39.0401 175.8768 107 R 4.1797 7.8003 119.0894 56.5331 31.0228 175.8792 108 R 3.8994 8.5071 114.8389 57.6183 27.1112 177.2106 109 K 4.4707 8.1836 113.4311 55.9263 33.5081 177.2005 110 G 3.7748 8.2421 107.3573 45.7990 0.0000 175.7232 111 I 3.6940 7.6348 121.7745 64.0043 36.9352 177.6998 112 F 3.9943 8.1981 121.0448 61.6804 39.1884 176.9150 113 N 4.5379 8.2952 115.3908 56.3396 38.3960 176.8095 114 Y 4.4340 8.0968 118.5471 61.2247 38.0383 178.8723 115 L 4.1067 8.3301 119.8520 57.8329 41.7297 179.3327 116 F 3.7512 8.4552 120.7472 61.4193 39.2879 176.9772 117 N 4.4886 8.9723 116.5434 56.1597 38.2885 176.8023 118 Y 4.0052 8.3555 121.3031 60.8476 38.8935 178.3416 119 I 3.6939 7.8731 120.6538 64.1557 37.1334 178.4250 120 K 3.8474 8.1952 119.5543 59.5325 31.9040 178.8240 121 N 4.2232 8.3779 117.3988 56.6251 38.3946 176.7938 122 I 3.5765 7.4987 121.2087 64.7557 36.9653 178.2157 123 C 4.0950 7.7318 116.1603 62.9085 28.0229 175.6573 124 D 4.4586 8.0712 119.5085 56.7041 40.5142 178.2244 125 K 4.4024 7.9568 117.2306 56.1474 32.6266 176.0330 126 D 4.7429 7.3648 119.5625 52.0175 41.3452 176.5146 127 E 4.0584 8.7236 125.4368 58.4068 29.9249 177.2579 128 N 4.6347 8.8402 117.2040 53.2469 39.0360 174.1030 129 I 4.5721 7.5499 120.6922 60.0726 38.0774 176.0464 130 V 3.9933 8.1634 118.6394 60.6707 33.0436 177.1694 131 G 3.9502 7.0467 108.2410 46.1248 0.0000 172.4396 *133 R 3.9129 7.7958 120.6245 56.0514 31.0682 173.9826 134 L 5.0061 7.4967 117.8543 54.8985 43.0974 174.1907 135 Y 5.0976 8.0486 117.1440 55.2251 40.5937 175.3513 136 V 4.6454 8.2055 119.6636 59.6887 34.9532 174.7446 137 E 4.1381 8.8777 120.9937 56.8079 29.8538 178.6972 138 K 4.1206 8.6406 121.6357 59.4054 32.3187 178.2079 139 E 4.0205 8.0632 116.5139 57.8011 29.6110 176.3551 140 N 4.5369 8.0757 118.5788 52.7074 37.9099 175.3605 141 I 3.8934 8.2499 120.1491 62.8653 38.2644 177.1944 142 N 4.6626 8.0696 116.8905 53.1541 39.1632 176.6190 143 A 3.4596 7.5462 121.9680 54.7786 18.4260 179.3016 144 K 3.8254 8.0304 117.3424 59.8008 32.2660 178.6120 145 A 3.9289 7.7935 120.2812 55.3137 18.1398 179.4821 146 T 3.4873 7.1934 112.9026 67.0616 68.7688 176.2354 147 Y 4.3370 7.7368 118.8684 60.9775 37.8983 178.0168 148 E 3.7249 8.5090 119.9788 59.5795 29.3731 179.5361 149 S 4.2770 7.8959 113.6601 60.3460 62.8193 175.5220 150 L 4.6287 7.3991 120.3282 53.0754 42.6035 174.4622 151 N 3.9701 7.4379 120.4739 52.9630 35.1157 173.1164 *153 Y 4.5279 7.5510 118.5588 57.0004 39.4905 174.5387 154 E 4.1782 8.7857 123.0811 56.6327 30.3019 176.5895 155 C 4.4696 8.4832 123.3157 59.2039 29.9197 172.8788 156 D 4.7651 7.7249 119.5341 54.3254 40.4917 175.4559 157 Y 5.0983 7.5062 114.6869 56.4459 42.6279 176.2005 158 N 5.0508 8.6053 119.8927 52.8233 39.9360 173.9198 *160 Y 4.2859 8.1733 119.7946 59.0291 39.2136 173.9442 161 E 4.7593 8.3838 118.1522 55.0783 32.7134 173.6438 162 Y 4.6346 8.3204 120.9531 55.7470 40.4561 175.2625 163 E 3.8252 8.1027 127.8908 54.8089 28.7471 175.8593 164 V 3.0264 7.6807 126.4474 62.6823 31.7855 175.6748 165 I 4.0731 7.9526 128.9662 60.2429 36.7394 175.5515 166 H 4.6207 8.6018 121.8016 56.0522 28.6038 175.7678 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 15 E 8.44 4.23 0.00 1.95 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 0.00 2.24 2.30 0.00 16 L 8.22 3.82 0.00 1.47 1.15 0.86 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.45 5.25 1.72 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 1.03 1.52 0.44 0.00 0.00 18 E 7.83 4.47 0.00 1.88 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 2.13 2.13 0.00 19 I 7.89 4.84 1.06 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 1.31 0.33 0.03 0.00 0.00 20 R 8.65 4.78 0.00 1.82 1.92 0.00 2.75 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.56 0.00 21 E 8.84 4.40 0.00 1.88 1.90 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 2.21 2.40 0.00 22 A 8.64 4.44 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 23 R 9.49 4.45 0.00 1.74 0.90 0.00 3.14 0.00 0.00 3.15 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 *25 D 9.03 4.49 0.00 2.65 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 26 D 8.00 4.48 0.00 2.69 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.76 3.78 0.00 1.68 1.61 0.90 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.87 4.25 0.00 2.63 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.53 3.51 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 30 I 7.70 3.43 1.48 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.44 0.21 0.00 0.00 31 A 7.98 3.94 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 32 K 8.07 3.86 0.00 1.77 1.92 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.58 1.53 7.81 33 F 8.41 4.06 0.00 3.11 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.43 4.38 0.00 3.00 2.91 0.00 0.00 6.63 7.09 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 35 Y 8.27 3.96 0.00 3.08 3.12 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 36 N 8.48 4.33 0.00 2.33 3.04 0.00 0.00 6.72 6.93 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 37 L 7.85 4.04 0.00 1.76 1.85 1.21 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.97 3.95 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 39 K 7.62 4.19 0.00 1.65 1.80 0.00 1.50 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.35 7.81 40 E 8.33 4.14 0.00 2.07 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 2.41 2.58 0.00 41 T 8.12 4.56 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 1.29 0.00 0.00 42 E 7.66 4.57 0.00 2.05 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 2.37 2.30 0.00 43 G 7.65 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.94 4.46 0.00 1.90 1.64 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.33 7.81 45 E 8.19 4.12 0.00 1.86 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 0.00 2.33 2.40 0.00 46 L 7.72 4.14 0.00 1.81 1.66 0.94 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 47 D 8.32 4.53 0.00 2.71 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *49 D 8.59 4.48 0.00 2.82 2.84 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 50 V 8.24 3.60 2.23 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 1.04 0.00 0.00 1.02 0.00 0.00 51 L 8.20 3.97 0.00 1.84 1.78 0.98 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.91 3.86 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 1.19 0.00 0.00 53 K 8.07 4.08 0.00 2.02 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.58 7.81 54 G 8.34 3.60 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 0.00 0.00 0.00 55 V 8.22 3.92 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 1.17 0.00 0.00 1.00 0.00 0.00 56 K 8.27 3.86 0.00 1.92 1.95 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.46 7.81 57 A 8.02 4.02 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 58 L 7.89 4.05 0.00 1.94 1.98 0.55 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.26 4.13 0.00 1.81 1.76 0.84 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.88 4.56 0.00 1.79 1.72 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.00 4.59 0.00 2.71 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.68 4.18 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 63 R 8.02 4.06 0.00 2.01 2.04 0.00 3.13 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 64 K 8.11 4.12 0.00 1.87 1.86 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.59 7.81 65 G 6.22 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 66 K 7.27 4.42 0.00 0.79 1.36 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.65 7.81 67 Y 8.40 4.85 0.00 2.81 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 68 H 9.34 5.18 0.00 3.14 3.13 0.00 5.75 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.80 4.98 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 0.78 0.00 0.00 0.91 0.00 0.00 70 Y 8.87 5.00 0.00 3.10 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 71 T 8.62 5.15 4.19 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 1.17 0.00 0.00 72 V 8.56 4.41 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 1.25 0.00 0.00 1.10 0.00 0.00 73 F 9.90 3.72 0.00 3.12 3.12 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 74 D 8.25 4.68 0.00 2.89 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 75 K 7.88 4.14 0.00 1.85 1.84 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.40 7.81 76 V 8.34 4.20 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 0.90 0.00 0.00 0.92 0.00 0.00 77 V 8.79 4.69 1.52 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 -0.18 0.00 0.00 0.90 0.00 0.00 78 A 7.96 5.01 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 79 Q 9.25 5.18 0.00 2.30 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.47 0.00 0.00 0.00 0.00 0.00 2.64 2.65 0.00 80 I 9.02 5.58 1.88 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 2.84 1.04 0.00 0.00 *82 Y 8.27 4.99 0.00 3.14 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 83 T 8.67 4.85 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 84 Y 8.49 5.53 0.00 3.07 3.11 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 85 E 9.66 4.80 0.00 2.18 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 2.41 2.30 0.00 86 W 9.22 4.65 0.00 3.49 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 S 8.25 4.53 0.00 3.94 3.47 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 88 D 8.78 4.57 0.00 3.05 3.09 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 0.00 0.00 0.00 89 W 8.36 4.46 0.00 3.30 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 90 R 7.86 4.30 0.00 1.60 1.79 0.00 3.23 0.00 0.00 3.04 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 91 N 7.51 3.94 0.00 2.87 2.80 0.00 0.00 6.92 7.45 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 92 G 5.74 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 93 N 8.49 5.53 0.00 2.80 2.99 0.00 0.00 7.44 7.93 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 94 F 9.25 4.86 0.00 3.19 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 95 L 8.51 4.94 0.00 1.56 1.39 -0.11 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 96 W 9.31 4.75 0.00 3.31 3.19 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 97 I 8.44 4.23 1.72 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.24 0.78 0.00 0.00 98 Q 8.71 4.56 0.00 1.89 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.72 0.00 0.00 0.00 0.00 0.00 2.46 2.26 0.00 99 S 7.64 4.78 0.00 3.96 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 0.00 100 V 8.45 4.95 2.16 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 0.37 0.00 0.00 0.92 0.00 0.00 101 Y 9.06 4.84 0.00 3.14 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 0.00 102 V 7.04 4.36 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 0.73 0.00 0.00 0.89 0.00 0.00 103 D 8.51 4.27 0.00 2.77 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 0.00 104 K 8.97 3.82 0.00 1.82 1.87 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.42 1.51 7.81 105 E 8.82 4.11 0.00 1.96 1.62 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 2.30 2.32 0.00 106 Y 7.99 4.55 0.00 2.90 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.80 4.18 0.00 1.73 1.79 0.00 3.23 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.75 0.00 108 R 8.51 3.90 0.00 1.93 2.01 0.00 3.10 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 109 K 8.18 4.47 0.00 1.75 1.87 0.00 1.84 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.39 7.81 110 G 8.24 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.63 3.69 1.71 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.45 0.37 0.00 0.00 112 F 8.20 3.99 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 0.00 113 N 8.30 4.54 0.00 2.67 2.83 0.00 0.00 7.06 7.48 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 0.00 114 Y 8.10 4.43 0.00 3.26 3.15 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 0.00 115 L 8.33 4.11 0.00 1.82 1.71 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 116 F 8.46 3.75 0.00 3.29 3.11 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 0.00 117 N 8.97 4.49 0.00 3.03 2.97 0.00 0.00 6.68 7.13 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 0.00 118 Y 8.36 4.01 0.00 3.36 3.17 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 0.00 119 I 7.87 3.69 1.74 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.75 0.60 0.00 0.00 120 K 8.20 3.85 0.00 1.98 1.87 0.00 1.88 0.00 0.00 1.92 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.60 7.81 121 N 8.38 4.22 0.00 2.68 2.78 0.00 0.00 7.22 8.84 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 0.00 122 I 7.50 3.58 1.87 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 1.39 0.58 0.83 0.00 0.00 123 C 7.73 4.10 0.00 3.02 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 0.00 124 D 8.07 4.46 0.00 2.61 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 0.00 125 K 7.96 4.40 0.00 1.72 1.82 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.52 7.81 126 D 7.36 4.74 0.00 2.70 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 0.00 127 E 8.72 4.06 0.00 2.09 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 2.27 2.33 0.00 128 N 8.84 4.63 0.00 2.86 2.94 0.00 0.00 6.77 7.29 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 0.00 129 I 7.55 4.57 1.93 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.64 0.89 0.00 0.00 130 V 8.16 3.99 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 0.39 0.00 0.00 -0.14 0.00 0.00 131 G 7.05 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 0.00 0.00 0.00 *133 R 7.80 3.91 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.54 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.16 0.00 134 L 7.50 5.01 0.00 1.67 1.55 0.69 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 135 Y 8.05 5.10 0.00 3.17 3.19 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 0.00 136 V 8.21 4.65 2.28 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 0.96 0.00 0.00 1.08 0.00 0.00 137 E 8.88 4.14 0.00 2.11 2.16 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 2.47 2.43 0.00 138 K 8.64 4.12 0.00 1.77 1.90 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.50 7.81 139 E 8.06 4.02 0.00 1.95 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 2.32 2.36 0.00 140 N 8.08 4.54 0.00 2.79 2.86 0.00 0.00 6.80 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 I 8.25 3.89 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.67 0.90 0.00 0.00 142 N 8.07 4.66 0.00 2.68 2.71 0.00 0.00 6.70 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 0.00 143 A 7.55 3.46 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 0.00 144 K 8.03 3.83 0.00 1.85 1.82 0.00 1.77 0.00 0.00 1.85 0.00 0.00 3.19 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.69 1.59 7.81 145 A 7.79 3.93 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 0.00 146 T 7.19 3.49 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 0.56 0.00 0.00 147 Y 7.74 4.34 0.00 2.93 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 0.00 148 E 8.51 3.72 0.00 2.27 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 0.00 2.54 2.74 0.00 149 S 7.90 4.28 0.00 3.90 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 0.00 150 L 7.40 4.63 0.00 1.61 1.66 0.43 0.99 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 0.00 151 N 7.44 3.97 0.00 2.88 2.94 0.00 0.00 6.94 6.81 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 *153 Y 7.55 4.53 0.00 3.09 2.93 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 0.00 154 E 8.79 4.18 0.00 2.02 1.93 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 2.34 2.41 0.00 155 C 8.48 4.47 0.00 3.17 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 0.00 156 D 7.72 4.77 0.00 2.44 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 0.00 0.00 0.00 0.00 157 Y 7.51 5.10 0.00 3.03 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 N 8.61 5.05 0.00 2.90 2.62 0.00 0.00 6.95 7.46 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 *160 Y 8.17 4.29 0.00 2.96 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 0.00 161 E 8.38 4.76 0.00 1.99 1.81 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 2.14 2.26 0.00 162 Y 8.32 4.63 0.00 2.84 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 0.00 163 E 8.10 3.83 0.00 1.78 1.62 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 2.16 2.15 0.00 164 V 7.68 3.03 1.90 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 0.55 0.00 0.00 0.97 0.00 0.00 165 I 7.95 4.07 1.88 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 1.42 0.95 0.91 0.00 0.00 166 H 8.60 4.62 0.00 3.13 3.19 0.00 5.73 0.00 0.00 0.00 0.00 6.91 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.