NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.6863 8.4093 119.2055 52.2982 39.0146 173.3872 7 P 4.2113 0.0000 0.0000 61.2058 31.9546 174.6179 8 P 4.6268 0.0000 0.0000 62.7375 33.0547 177.5329 9 K 4.3646 8.9109 123.5644 56.4708 33.5771 176.0188 10 V 4.6872 9.1605 124.9133 61.4266 33.5580 174.3279 11 I 4.8730 8.7082 128.8753 59.4142 40.1114 174.0840 12 L 4.8301 8.7237 129.4988 53.0840 44.3903 174.5334 13 L 4.9267 8.9538 128.5931 53.2789 44.8827 175.0503 14 V 4.6685 8.5573 127.3998 61.5769 32.8581 173.8719 15 E 4.9116 8.8192 128.9003 55.1933 32.1481 174.6789 16 D 4.4181 8.8673 126.4472 55.0011 40.6397 176.8639 17 S 4.1873 8.4750 115.3272 57.6390 62.7435 174.0743 18 K 3.9476 8.9525 132.2850 58.9489 32.1351 178.1831 19 A 3.9858 7.9562 120.4108 55.3802 18.3489 179.2532 20 D 4.3351 7.7603 116.4009 57.4535 40.8146 179.1896 21 S 4.1370 8.2077 114.8782 61.4952 63.0300 176.7856 22 R 4.0257 8.2831 121.8926 58.7552 29.7606 178.7728 23 L 4.0223 7.8507 119.8793 58.0861 42.1015 179.1763 24 V 3.5038 7.7793 118.2092 66.0600 31.5380 177.8683 25 Q 3.9829 8.1680 117.7878 58.9555 28.3425 178.5173 26 E 3.9567 8.0512 118.9632 59.3410 30.0174 178.8767 27 V 3.4855 7.6563 117.9850 65.9966 31.2076 177.9947 28 L 4.0784 8.2549 118.4835 56.9559 41.1228 179.2626 29 K 4.0849 7.8135 119.5700 59.1889 32.2448 177.7042 30 T 4.1335 7.7299 107.8214 62.8990 69.3036 175.0394 31 S 4.2154 7.3930 117.0554 58.9160 62.7541 173.7162 32 T 4.4243 8.3144 114.4784 61.3974 69.3013 174.2339 33 I 4.0809 7.5563 124.5735 60.2828 37.9840 175.0378 34 D 4.5696 8.6994 125.9968 55.1688 42.0046 174.7138 35 H 5.1097 8.2854 119.8511 55.2730 31.6614 172.2435 36 E 4.5783 9.0982 118.9039 54.2897 32.7962 173.6204 37 L 5.0174 8.6222 128.6035 53.5518 43.9805 175.0736 38 I 4.3969 8.6757 127.7783 59.5489 39.5712 174.5407 39 I 4.8094 8.2875 127.5622 59.5298 39.0877 174.9009 40 L 4.7878 8.9167 127.3754 53.1392 44.3430 177.6541 41 R 4.5631 8.6856 119.9209 56.5120 31.3717 175.6171 42 D 4.7455 7.5446 116.6370 51.4752 42.3624 176.3364 43 G 3.8956 8.2291 108.2302 48.1317 0.0000 175.3945 44 L 4.1062 8.0733 118.7902 57.4388 42.2192 178.2103 45 A 4.1518 9.3297 122.0070 55.2059 18.6439 179.5541 46 A 3.8691 7.9432 115.0157 53.0976 17.9406 178.9533 *48 A 4.3321 8.0791 123.8896 53.6765 20.7986 179.9471 49 F 3.7720 8.2407 117.7612 61.2197 39.5184 177.4520 50 L 3.7802 7.8376 119.1836 57.4943 41.4073 178.0068 51 Q 4.1683 7.9638 114.4649 55.2045 29.6666 175.1893 52 Q 3.5173 7.5783 117.1025 57.3686 26.6844 172.1974 53 Q 4.9117 8.4202 117.1432 54.1339 32.8708 177.4969 54 G 3.6298 8.3379 107.6191 46.8493 0.0000 176.0709 55 E 3.9524 8.4001 119.8949 58.3627 29.9504 177.2188 56 Y 5.1639 7.6273 117.0400 57.3302 38.0034 174.7605 57 E 4.5869 7.5723 121.4093 57.1396 30.0303 176.3708 58 N 4.2089 8.8418 120.6845 53.9440 36.6720 174.1169 59 S 4.3763 8.0201 116.3526 57.2296 63.2516 172.1902 60 P 4.4600 0.0000 0.0000 62.7096 31.6581 176.6300 61 R 4.0038 8.2747 121.2150 55.3360 30.6830 174.9603 62 P 4.6670 0.0000 0.0000 63.1747 32.0661 175.8715 63 N 4.8407 8.9569 116.3472 53.8359 39.8407 175.1524 64 L 4.6242 7.5459 120.4274 53.7544 45.9975 173.7998 65 I 4.8374 8.6636 126.6302 59.4260 40.5813 174.2298 66 L 4.8640 9.0458 127.2651 52.8549 43.9398 175.2201 67 L 4.8058 8.6381 126.1562 53.1039 45.1975 174.5094 68 D 5.2814 8.3386 126.2596 52.6995 41.8309 176.5162 69 L 4.0999 8.3346 124.4891 57.0374 43.0321 176.1411 70 N 4.8632 8.5050 116.6265 51.8920 38.9242 174.7372 71 L 4.9038 8.1698 122.7575 52.3831 46.4732 174.4789 72 P 4.4779 0.0000 0.0000 63.2792 33.1367 176.6538 73 K 4.2490 9.8123 123.5201 56.5587 30.5077 177.2077 74 K 4.4091 7.4176 118.3316 53.6488 35.2248 174.1391 75 D 4.5665 8.9891 125.3762 54.9212 42.3649 177.5323 76 G 3.6466 8.6431 113.0348 47.9337 0.0000 176.1411 77 R 3.9693 8.6689 120.6489 59.0545 30.0175 178.9571 78 E 3.9842 7.9455 118.1759 59.1122 29.5444 179.0499 79 V 3.5259 7.8311 118.3335 65.9731 31.5708 177.6334 80 L 3.8685 8.1955 120.0268 58.2687 41.6681 178.8386 81 A 3.9962 7.8969 120.2128 55.1710 18.0839 179.3837 82 E 3.9383 8.4565 116.3814 59.5816 29.7021 179.4965 83 I 3.8529 7.9368 119.7819 64.4524 37.1158 178.5255 84 K 4.2086 7.9041 116.5092 58.0846 32.0398 178.2641 85 Q 4.5007 7.5687 116.8810 54.7569 29.7809 174.7949 86 N 4.6586 7.4511 120.5928 51.8032 39.5992 174.0805 87 P 4.1764 0.0000 0.0000 65.1852 31.6268 176.4863 88 D 4.8338 8.7675 116.2385 53.7929 41.1095 176.4854 89 L 4.7149 7.5068 115.3552 54.6169 46.4821 177.8923 90 K 4.1473 8.2527 118.1126 59.2420 32.5146 178.5227 91 R 4.0290 7.8750 115.2874 58.4627 29.8133 176.7016 92 I 3.8858 7.4749 120.4894 60.4456 37.5203 174.5846 93 P 4.4915 0.0000 0.0000 62.7335 32.5922 175.3698 94 V 4.4777 9.0740 124.3568 60.9670 34.3750 174.1951 95 V 4.2677 8.6825 128.7919 60.9047 33.3196 174.6588 96 V 3.9918 8.2141 129.5166 62.5307 32.9026 174.6564 97 L 4.9476 8.7268 129.3328 53.6685 44.3786 174.7362 98 T 4.8076 8.4870 120.1206 60.6976 71.1273 174.9845 99 T 3.8360 8.6024 121.3919 66.5319 68.7363 175.8500 100 S 4.3534 8.0277 115.0593 58.8397 62.8313 172.9811 101 H 5.0631 8.6219 120.7148 54.9432 29.4693 172.6286 102 N 4.2508 7.9107 120.1461 54.0914 39.1440 175.3245 103 E 3.8946 9.0565 125.5974 60.1024 29.5097 179.2651 104 D 4.3306 8.6515 118.8458 57.2109 40.8655 178.5076 105 D 4.3885 8.3344 119.7284 56.9434 40.8077 178.9401 106 V 2.6467 7.4181 118.2896 65.7727 31.5542 177.8102 107 I 3.7246 7.9265 119.5794 64.5490 36.8439 178.1888 108 A 4.0014 7.9435 121.2959 55.3184 18.1334 179.9558 109 S 4.0815 7.9620 113.1183 62.0787 62.9904 176.5880 110 Y 4.1184 8.0274 119.3969 60.8613 37.3305 178.0629 111 E 4.0460 8.4100 119.8337 58.5616 29.7521 177.7477 112 L 4.3866 7.3019 116.9689 54.2608 41.9502 175.9986 113 H 4.2533 8.1483 115.0870 56.7608 26.2208 175.7480 114 V 3.8063 7.5340 118.2710 61.6532 31.9273 175.9596 115 N 4.8345 8.4186 120.3591 56.6668 39.1064 175.0572 116 C 4.9855 7.6120 110.2368 57.5307 32.8576 172.2481 117 Y 4.8471 8.8866 121.3639 55.7886 40.7782 174.5352 118 L 4.9227 8.6887 126.4719 53.2186 45.3585 175.5821 119 T 4.7803 8.5829 120.3206 62.4447 69.5399 174.2822 120 K 4.1996 9.0974 129.9646 55.5839 32.5005 176.7654 121 S 4.3674 8.6482 122.7320 57.9489 63.0519 174.1667 122 R 4.0768 8.3990 121.4624 57.7957 30.1057 176.4901 123 N 4.6548 8.1457 118.8455 52.7859 40.2288 175.5748 124 L 4.1460 8.5083 127.6536 57.3441 41.9291 179.5532 125 K 4.0360 8.1779 118.6259 59.2568 31.8748 178.8597 126 D 4.3734 8.1628 118.3958 57.3810 40.8829 178.2540 127 L 4.1080 7.8730 119.4696 58.0084 42.3739 178.3142 128 F 4.2044 8.5370 120.7902 61.1419 39.3759 178.1384 129 K 4.8104 7.9032 116.3740 56.6261 31.6751 178.9467 *131 V 4.0200 7.8285 121.4286 62.9706 33.4855 177.5031 132 Q 3.9978 7.9855 119.1777 58.6837 28.4136 178.8325 133 G 3.6615 8.0773 106.6659 47.7877 0.0000 175.8523 134 I 4.0789 7.7022 121.8059 64.1098 37.2048 177.9877 135 E 3.9247 8.4297 120.4258 59.4361 29.2615 179.0869 136 S 4.4146 8.3521 115.9899 60.8435 63.0234 175.9939 137 F 4.1372 8.4240 124.2617 60.8217 39.0751 177.5510 138 W 4.0336 8.2142 117.8344 59.0684 29.1956 177.4673 139 L 4.3331 7.9547 118.8801 56.0528 41.9017 176.8231 140 E 4.5075 8.0836 116.5576 56.6769 31.4767 177.4594 141 T 4.1110 7.1918 112.6602 64.7544 69.9379 175.6659 142 V 3.3130 7.2772 119.8778 62.6941 31.9297 175.8664 143 T 4.2982 7.9681 122.5988 61.9521 67.9516 174.6571 144 L 4.3341 8.1617 127.0605 53.3542 42.5505 175.8286 145 P 4.4058 0.0000 0.0000 62.0378 32.1100 176.0747 146 A 4.0007 8.4321 123.2113 52.0122 18.8051 177.6507 147 A 4.1580 8.4527 126.3343 51.1088 19.1734 175.4799 148 P 4.3397 0.0000 0.0000 62.5459 32.0713 176.8133 149 G 3.7053 8.5965 110.0185 45.8503 0.0000 173.2019 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 6 N 8.41 4.69 0.00 2.68 2.84 0.00 0.00 7.02 6.80 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 7 P 0.00 4.21 0.00 2.31 2.06 0.00 3.83 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 8 P 0.00 4.63 0.00 1.97 2.04 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.38 0.00 9 K 8.91 4.36 0.00 1.74 1.75 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.55 7.81 10 V 9.16 4.69 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 1.07 0.00 0.00 0.98 0.00 0.00 11 I 8.71 4.87 1.87 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 1.10 0.66 0.85 0.00 0.00 12 L 8.72 4.83 0.00 1.60 1.43 0.38 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.95 4.93 0.00 1.63 1.38 0.84 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.56 4.67 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 0.82 0.00 0.00 0.83 0.00 0.00 15 E 8.82 4.91 0.00 1.89 1.71 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 2.19 2.45 0.00 16 D 8.87 4.42 0.00 2.81 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 17 S 8.47 4.19 0.00 3.90 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 18 K 8.95 3.95 0.00 1.90 1.79 0.00 1.70 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.43 7.81 19 A 7.96 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 20 D 7.76 4.34 0.00 2.89 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 21 S 8.21 4.14 0.00 4.03 4.09 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 22 R 8.28 4.03 0.00 2.06 2.04 0.00 3.13 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 23 L 7.85 4.02 0.00 1.93 1.89 1.08 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.78 3.50 2.19 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 0.91 0.00 0.00 0.91 0.00 0.00 25 Q 8.17 3.98 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.65 0.00 26 E 8.05 3.96 0.00 2.15 2.32 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 2.66 2.46 0.00 27 V 7.66 3.49 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 -0.18 0.00 0.00 28 L 8.25 4.08 0.00 1.82 1.75 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.81 4.08 0.00 1.98 2.09 0.00 1.83 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.46 7.81 30 T 7.73 4.13 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 1.30 0.00 0.00 31 S 7.39 4.22 0.00 3.84 3.96 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 0.00 0.00 0.00 32 T 8.31 4.42 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 33 I 7.56 4.08 1.86 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 1.18 0.98 0.92 0.00 0.00 34 D 8.70 4.57 0.00 2.82 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 35 H 8.29 5.11 0.00 3.36 3.24 0.00 5.52 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 9.10 4.58 0.00 2.01 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 2.22 0.00 37 L 8.62 5.02 0.00 1.70 1.53 0.87 1.01 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 38 I 8.68 4.40 1.47 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.42 0.42 0.00 0.00 39 I 8.29 4.81 1.82 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 1.28 0.53 0.86 0.00 0.00 40 L 8.92 4.79 0.00 1.38 1.44 0.58 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.69 4.56 0.00 1.78 1.95 0.00 3.35 0.00 0.00 3.44 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 42 D 7.54 4.75 0.00 3.07 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 43 G 8.23 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 44 L 8.07 4.11 0.00 1.83 1.77 0.93 0.78 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 45 A 9.33 4.15 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 46 A 7.94 3.87 1.34 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 0.00 0.00 *48 A 8.08 4.33 1.57 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 0.00 0.00 49 F 8.24 3.77 0.00 2.14 2.92 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 50 L 7.84 3.78 0.00 1.68 1.67 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 51 Q 7.96 4.17 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 52 Q 7.58 3.52 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.59 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 53 Q 8.42 4.91 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.77 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 54 G 8.34 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.40 3.95 0.00 1.88 1.87 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 1.53 1.47 0.00 56 Y 7.63 5.16 0.00 3.30 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 57 E 7.57 4.59 0.00 1.97 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 2.32 2.24 0.00 58 N 8.84 4.21 0.00 2.92 2.91 0.00 0.00 7.06 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 59 S 8.02 4.38 0.00 3.84 3.91 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 60 P 0.00 4.46 0.00 2.08 2.02 0.00 3.75 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 61 R 8.27 4.00 0.00 1.85 1.84 0.00 3.08 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 62 P 0.00 4.67 0.00 2.36 2.16 0.00 3.78 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 63 N 8.96 4.84 0.00 2.58 2.92 0.00 0.00 6.67 8.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.55 4.62 0.00 1.72 1.41 0.58 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.66 4.84 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 1.20 0.76 0.82 0.00 0.00 66 L 9.05 4.86 0.00 1.41 1.44 0.83 0.05 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 67 L 8.64 4.81 0.00 1.60 1.33 0.86 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.34 5.28 0.00 2.81 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 69 L 8.33 4.10 0.00 1.67 1.69 1.03 0.46 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 70 N 8.51 4.86 0.00 2.67 2.77 0.00 0.00 6.76 7.92 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 71 L 8.17 4.90 0.00 1.61 1.48 0.91 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.48 0.00 2.11 2.18 0.00 3.76 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 2.04 1.98 0.00 73 K 9.81 4.25 0.00 1.95 2.05 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.51 7.81 74 K 7.42 4.41 0.00 1.74 1.53 0.00 1.74 0.00 0.00 1.90 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.56 7.81 75 D 8.99 4.57 0.00 2.74 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.64 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 77 R 8.67 3.97 0.00 1.92 2.00 0.00 3.21 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 78 E 7.95 3.98 0.00 2.21 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 2.40 2.36 0.00 79 V 7.83 3.53 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 0.92 0.00 0.00 80 L 8.20 3.87 0.00 1.73 1.81 0.88 1.12 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 81 A 7.90 4.00 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 82 E 8.46 3.94 0.00 2.01 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 2.68 2.50 0.00 83 I 7.94 3.85 1.99 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 1.51 1.37 0.89 0.00 0.00 84 K 7.90 4.21 0.00 1.79 1.92 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.47 1.77 7.81 85 Q 7.57 4.50 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 86 N 7.45 4.66 0.00 2.82 2.81 0.00 0.00 7.06 8.10 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 87 P 0.00 4.18 0.00 2.07 2.10 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 88 D 8.77 4.83 0.00 2.54 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 89 L 7.51 4.71 0.00 1.83 1.59 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.25 4.15 0.00 1.84 2.12 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.54 1.38 7.81 91 R 7.88 4.03 0.00 1.95 2.11 0.00 3.11 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 92 I 7.47 3.89 1.96 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 1.32 0.60 0.89 0.00 0.00 93 P 0.00 4.49 0.00 1.95 1.95 0.00 3.74 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.19 0.00 94 V 9.07 4.48 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 0.82 0.00 0.00 0.93 0.00 0.00 95 V 8.68 4.27 1.73 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 0.78 0.00 0.00 -0.09 0.00 0.00 96 V 8.21 3.99 1.69 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 0.17 0.00 0.00 0.77 0.00 0.00 97 L 8.73 4.95 0.00 1.62 1.36 0.86 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.49 4.81 4.03 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 0.99 0.00 0.00 99 T 8.60 3.84 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 1.24 0.00 0.00 100 S 8.03 4.35 0.00 3.89 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 0.00 101 H 8.62 5.06 0.00 3.32 3.38 0.00 5.59 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 N 7.91 4.25 0.00 2.66 3.00 0.00 0.00 7.20 7.50 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 0.00 103 E 9.06 3.89 0.00 2.01 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 2.37 2.40 0.00 104 D 8.65 4.33 0.00 2.85 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 0.00 105 D 8.33 4.39 0.00 2.85 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 7.42 2.65 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 0.95 0.00 0.00 0.41 0.00 0.00 107 I 7.93 3.72 1.86 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 1.44 0.58 0.92 0.00 0.00 108 A 7.94 4.00 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 0.00 109 S 7.96 4.08 0.00 4.08 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 0.00 110 Y 8.03 4.12 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 0.00 111 E 8.41 4.05 0.00 2.13 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 2.32 2.38 0.00 112 L 7.30 4.39 0.00 1.75 1.68 0.93 1.26 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 0.00 113 H 8.15 4.25 0.00 3.37 3.48 0.00 5.68 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.53 3.81 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 0.21 0.00 0.00 0.87 0.00 0.00 115 N 8.42 4.83 0.00 2.64 3.19 0.00 0.00 6.80 9.00 0.00 0.00 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 C 7.61 4.99 0.00 3.22 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 0.00 117 Y 8.89 4.85 0.00 2.50 2.89 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 0.00 118 L 8.69 4.92 0.00 1.70 1.48 1.01 0.58 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 0.00 119 T 8.58 4.78 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 1.23 0.00 0.00 120 K 9.10 4.20 0.00 1.68 1.71 0.00 2.07 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.36 7.81 121 S 8.65 4.37 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 0.00 122 R 8.40 4.08 0.00 1.97 2.05 0.00 3.08 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 123 N 8.15 4.65 0.00 2.80 2.88 0.00 0.00 7.04 5.97 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 0.00 124 L 8.51 4.15 0.00 1.75 1.75 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 125 K 8.18 4.04 0.00 2.08 1.85 0.00 1.53 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.52 7.81 126 D 8.16 4.37 0.00 2.90 2.75 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 0.00 127 L 7.87 4.11 0.00 1.65 1.89 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 128 F 8.54 4.20 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 0.00 129 K 7.90 4.81 0.00 2.10 1.87 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.64 7.81 *131 V 7.83 4.02 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 0.95 0.00 0.00 0.94 0.00 0.00 132 Q 7.99 4.00 0.00 2.38 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 133 G 8.08 3.66 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 0.00 0.00 0.00 134 I 7.70 4.08 2.07 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 1.63 0.75 0.95 0.00 0.00 135 E 8.43 3.92 0.00 2.08 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 2.27 2.42 0.00 136 S 8.35 4.41 0.00 4.11 4.14 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 0.00 137 F 8.42 4.14 0.00 3.12 3.05 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 0.00 138 W 8.21 4.03 0.00 3.55 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 0.00 139 L 7.95 4.33 0.00 1.64 1.89 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 140 E 8.08 4.51 0.00 2.28 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.56 0.00 141 T 7.19 4.11 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 1.06 0.00 0.00 142 V 7.28 3.31 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 0.63 0.00 0.00 -0.52 0.00 0.00 143 T 7.97 4.30 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 1.20 0.00 0.00 144 L 8.16 4.33 0.00 1.67 1.64 0.97 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 145 P 0.00 4.41 0.00 2.19 2.08 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.18 0.00 146 A 8.43 4.00 1.27 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 0.00 0.00 147 A 8.45 4.16 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 0.00 148 P 0.00 4.34 0.00 2.22 2.06 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.02 0.00 149 G 8.60 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.