NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1608 8.0249 120.7873 60.8270 39.1819 174.6589 3 Q 4.5442 8.4019 124.4501 52.3724 32.2461 173.2912 4 S 4.8620 9.1024 115.7726 56.8662 67.1988 172.9655 5 Q 4.6468 8.6270 121.0471 54.6127 30.2446 175.9075 6 I 4.4492 8.1661 111.0138 60.1488 38.8665 174.6961 7 N 4.9215 7.8275 120.5071 51.1588 41.0036 174.8765 8 R 4.0243 8.5766 122.9560 58.9595 29.4937 178.3239 9 N 4.3832 8.9644 117.9891 55.7949 38.5039 177.3519 10 I 3.6878 7.4186 121.3425 64.5773 37.2178 178.6168 11 R 4.0317 7.8927 118.2436 58.9657 30.0749 178.8925 12 L 4.1350 8.1980 119.0949 57.6024 41.5560 179.2226 13 D 4.3457 8.4263 119.4681 57.1099 40.7694 178.3193 14 L 3.9144 7.9042 120.5545 58.1326 41.9875 178.7401 15 A 4.1382 8.4109 121.0297 55.5745 18.2958 179.3869 16 D 4.3197 8.1453 116.8642 57.3390 40.8447 178.9785 17 A 4.0005 8.0264 121.3725 55.0777 18.3382 179.6021 18 I 3.6563 8.2810 118.7070 64.7112 37.2177 178.6662 19 L 3.9920 8.3127 120.0568 57.6640 41.3349 179.4067 20 L 3.9595 8.0324 120.4354 57.9548 42.0091 178.8398 21 S 4.0342 8.1033 113.2022 61.3240 62.3584 176.0726 22 K 3.8175 8.3579 122.3709 59.4909 31.8829 178.6416 23 A 3.9764 8.0159 121.0576 55.0483 18.0763 179.7890 24 K 3.9691 8.0933 116.3395 59.2018 32.2082 178.9418 25 K 4.1639 7.9081 116.2924 55.8272 32.3755 176.2238 26 D 4.3563 7.7298 117.6856 54.9505 40.2062 173.5095 27 L 4.2358 7.7337 116.0868 53.9633 42.6805 177.4872 28 S 4.6201 8.0355 116.1050 56.9468 66.4920 175.4200 29 F 4.1998 8.3279 121.1950 60.5462 38.6734 177.7891 30 A 4.0589 8.1017 120.1265 55.2296 18.0391 179.1325 31 E 4.7336 8.1174 118.1449 59.1024 29.7667 178.7936 32 I 3.8517 7.7685 118.8712 64.2255 37.5350 177.8865 33 A 4.2478 8.2566 121.1797 53.1242 18.6642 177.2717 34 D 4.4477 7.5873 118.0324 56.4927 41.2789 178.0979 35 G 4.0407 8.9975 111.6135 45.8376 0.0000 174.0890 36 T 4.0658 7.7259 115.2214 63.7553 68.8812 176.1426 37 G 3.9401 8.2983 108.0358 45.4873 0.0000 173.0243 38 L 4.7186 7.4583 117.8924 51.9755 44.8010 176.8367 39 A 4.1832 8.2815 123.3260 51.9789 20.2878 178.5570 40 E 3.9172 8.8466 122.7985 59.4081 29.7763 179.3150 41 A 3.9115 7.9956 120.3366 55.0836 18.4694 179.2812 42 F 3.9246 8.0373 118.6919 61.3007 39.5827 177.5879 43 V 3.6317 8.1446 118.0112 66.2876 31.3390 178.1623 44 T 3.7857 8.2184 115.5988 66.4543 68.1947 176.4549 45 A 3.8196 7.8657 122.5034 54.9382 18.3494 179.5091 46 A 4.2376 7.5971 120.4799 54.8622 18.2422 179.7909 47 L 4.0059 7.8325 116.2484 57.5512 41.7054 178.7861 48 L 4.5349 7.5014 116.4594 54.3370 41.7229 177.4024 49 G 3.9206 8.1202 106.9396 45.6068 0.0000 174.3910 50 Q 4.5264 8.2389 116.1126 55.4197 30.0137 174.9092 51 Q 4.6012 7.4216 115.8973 54.4668 33.7329 172.9730 52 A 4.9703 8.4721 121.9452 50.5530 20.8468 176.4633 53 L 4.7341 8.7102 121.6511 52.6944 43.7847 175.2024 54 P 4.2903 0.0000 0.0000 62.4417 32.2985 177.1546 55 A 4.0034 8.8016 122.4835 55.8914 18.1601 180.1060 56 D 4.2904 8.1098 116.3944 57.2866 40.8460 178.7207 57 A 4.0346 8.0051 120.8291 54.7983 18.4819 179.1750 58 A 3.9553 8.3071 119.6542 55.5796 18.4060 180.1142 59 R 3.8602 8.2087 116.5569 59.1722 30.1905 179.0954 60 L 3.9362 7.9351 120.1027 58.4331 42.1763 179.5772 61 V 3.8151 8.2052 112.6881 64.1575 31.3515 178.8198 62 G 3.6264 8.4286 105.6861 47.6915 0.0000 175.6446 63 A 4.0260 8.2787 123.2113 54.9705 18.1844 179.9254 64 K 4.1221 7.8682 115.8424 58.4906 32.2176 178.5388 65 L 4.4551 7.6302 116.5084 53.1330 42.5933 175.4791 66 D 4.3698 7.6631 115.9971 55.1223 40.0149 173.6353 67 L 4.3015 8.0544 117.3364 53.9703 42.8650 177.6834 68 D 4.7220 8.2731 121.8856 52.6591 42.0426 177.3821 69 E 3.9939 8.5356 118.4811 59.6773 29.3143 179.3221 70 D 4.3784 8.0576 118.4750 57.3895 40.8983 178.9010 71 S 4.1307 8.5077 115.8299 61.5863 62.6313 176.6900 72 I 3.7350 7.6268 121.6140 64.2836 37.1093 177.9621 73 L 4.2607 8.1830 121.3227 58.0571 41.6806 179.0227 74 L 4.0633 7.9469 118.5559 57.5919 41.7678 179.1044 75 L 4.1893 8.0365 118.5037 56.3422 42.6099 177.1886 76 Q 4.6257 7.4210 119.6855 53.6247 27.3026 174.5816 *78 I 4.0761 7.3416 119.1826 60.3944 39.1762 174.6619 79 P 4.7159 0.0000 0.0000 62.2054 32.8904 176.1479 80 L 4.3368 8.2995 123.3312 54.1044 41.6710 176.5015 81 R 4.1886 8.3882 125.2713 55.6404 30.9183 175.1512 82 G 3.0135 8.2937 108.3742 45.0300 0.0000 173.1704 83 C 4.3517 8.0591 121.9606 58.1459 30.7426 174.2390 84 I 4.1170 7.4227 122.1671 60.2835 37.7456 174.8912 85 D 4.4670 8.8875 125.5073 57.1365 41.5726 176.5605 86 D 4.6421 7.3493 115.0741 53.0880 41.5180 173.7533 87 R 4.3443 8.2209 126.8193 56.3303 29.1716 177.0988 88 I 4.1052 7.1390 115.9042 58.2938 39.2393 173.9778 89 P 4.4518 0.0000 0.0000 62.9574 31.8121 176.3443 90 T 4.2680 8.2736 110.5892 62.7392 69.9519 174.9034 91 D 4.5409 7.9688 121.8296 53.1012 42.1738 173.8951 92 P 4.5039 0.0000 0.0000 66.3007 31.5166 179.0328 93 T 3.7993 7.5560 108.4477 64.8990 68.0004 174.3255 *95 Y 4.6427 7.9103 125.1520 57.7114 40.4297 177.3726 96 R 4.0949 8.0884 117.8301 59.2004 30.0408 178.7232 97 F 4.1505 7.9985 116.5548 60.4199 39.1397 176.5760 98 Y 4.0851 7.8022 118.8380 60.2055 38.9401 178.8009 99 E 3.9531 8.1027 122.8197 55.5912 29.5857 178.6056 *101 L 4.2394 7.9380 118.7657 54.6576 43.8459 179.6709 102 Q 3.8311 7.6573 116.6503 58.4519 28.4982 178.4652 103 V 3.6885 7.5812 118.4552 64.7421 32.0763 176.6887 104 Y 4.7323 7.5662 113.0473 57.3166 38.8664 177.5154 105 G 3.6865 8.1919 108.9438 48.2089 0.0000 176.1178 106 T 4.0031 7.8332 111.8515 64.6489 68.8875 176.7980 107 T 3.9321 7.9115 118.2255 66.3386 68.4801 176.4203 108 L 4.0104 8.4528 121.4534 57.5653 41.6359 179.4298 109 K 3.8028 8.1765 119.2043 59.4420 32.1748 178.5541 110 A 4.0389 8.0930 120.9362 55.4255 18.2615 179.6957 111 L 3.9990 8.3678 117.8465 57.6935 41.6382 179.8599 112 V 3.8306 8.2001 118.7527 66.4652 31.3258 177.8863 113 H 4.9020 8.2769 117.3389 58.4068 28.2991 177.4753 114 E 3.9508 8.2286 120.3811 59.2019 29.5736 178.6502 115 K 3.9532 8.2672 117.7602 57.9521 32.1992 177.8193 116 F 4.2550 9.0942 115.0028 60.7343 41.5549 175.7409 117 G 4.0039 7.1265 103.1951 44.8198 0.0000 171.9614 118 D 4.7183 8.4232 119.4706 54.4669 42.3526 176.2533 119 G 4.0597 7.9014 110.4667 45.2285 0.0000 172.4852 120 I 4.8065 8.1923 113.8888 59.2899 41.7271 174.4935 121 I 4.6028 8.1281 123.6845 60.0674 38.1685 175.8045 122 S 4.2497 9.0259 122.8008 58.1461 62.8451 173.6320 123 A 3.8298 8.4447 127.9415 51.9330 19.1639 176.8004 124 I 4.3270 7.9689 116.5439 63.5161 39.3863 176.8181 125 N 4.7902 7.8236 122.4007 52.0351 37.6562 172.1393 126 F 5.5114 8.0118 122.7352 56.4386 42.9569 172.6566 127 K 4.6154 8.0285 123.7125 54.9499 36.1832 174.9404 128 L 5.6134 8.3464 120.5187 53.1276 43.7254 175.0835 129 D 4.8191 8.3905 118.4500 51.9260 43.2854 173.7943 130 V 4.7486 8.3730 119.8004 61.0601 33.8475 174.4354 131 K 4.6618 9.0004 128.8770 54.4263 35.3640 174.3423 132 K 4.9478 8.6579 127.9447 55.4787 33.5077 175.7448 133 V 4.7112 8.7471 119.2682 59.1593 36.3593 174.7717 134 A 4.5159 8.5349 123.7698 51.9826 19.3724 176.6665 135 D 4.6101 8.7386 121.0174 52.4983 41.9961 176.0545 136 P 4.2563 0.0000 0.0000 65.2415 31.4988 177.0145 137 E 4.1665 8.5863 116.4643 55.9510 29.7729 176.4694 138 G 4.0390 8.5484 108.4427 45.6790 0.0000 175.1781 139 G 3.8570 9.5767 108.3901 43.8715 0.0000 171.6754 140 E 5.1807 8.2587 116.6329 54.8314 33.7919 175.2957 141 R 4.8296 9.3644 119.8447 54.4491 34.6407 174.0795 142 A 5.0506 8.5783 122.7264 50.4892 21.2235 176.7239 143 V 4.1859 8.9393 122.9269 61.4152 33.4037 174.3667 144 I 4.8263 8.3601 129.4050 60.1558 38.7991 175.3609 145 T 4.5322 8.8244 124.9258 61.8829 70.4827 173.6357 146 L 4.7548 8.5556 126.5278 53.0795 43.8530 175.6947 147 D 4.6574 8.5540 123.9231 52.3089 43.2268 174.2782 148 G 4.7297 8.4852 111.5358 43.6632 0.0000 170.4128 149 K 4.3207 8.7704 123.2544 56.2184 33.2882 175.3058 150 Y 4.7478 8.6378 128.3781 57.3130 40.3213 173.6543 151 L 4.6434 8.3764 127.2913 51.9929 43.9844 174.3858 152 P 4.5844 0.0000 0.0000 62.8481 32.4519 176.0442 153 T 4.4897 8.6690 119.0142 62.3577 69.6769 174.2630 154 K 4.7053 8.4639 125.4285 53.4102 35.2872 174.6220 155 P 4.3691 0.0000 0.0000 62.6723 31.9476 176.7709 156 F 4.5781 7.8621 114.9975 57.0871 37.9586 174.8308 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 2 I 8.02 4.16 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 1.42 1.36 0.91 0.00 0.00 3 Q 8.40 4.54 0.00 2.11 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.66 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 4 S 9.10 4.86 0.00 3.90 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 5 Q 8.63 4.65 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 6 I 8.17 4.45 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 1.30 0.66 0.91 0.00 0.00 7 N 7.83 4.92 0.00 2.76 2.66 0.00 0.00 6.94 7.65 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 8 R 8.58 4.02 0.00 2.06 2.27 0.00 3.12 0.00 0.00 3.32 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 9 N 8.96 4.38 0.00 2.83 2.90 0.00 0.00 6.83 6.86 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 10 I 7.42 3.69 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 1.52 1.27 0.91 0.00 0.00 11 R 7.89 4.03 0.00 1.81 1.95 0.00 3.28 0.00 0.00 3.50 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 12 L 8.20 4.14 0.00 1.68 1.71 0.91 0.93 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 13 D 8.43 4.35 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 14 L 7.90 3.91 0.00 1.79 1.85 0.92 1.04 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 A 8.41 4.14 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 16 D 8.15 4.32 0.00 2.90 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.03 4.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.28 3.66 2.04 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 1.53 0.80 0.95 0.00 0.00 19 L 8.31 3.99 0.00 1.82 1.75 0.99 0.58 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 20 L 8.03 3.96 0.00 1.77 1.79 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.10 4.03 0.00 3.93 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 22 K 8.36 3.82 0.00 1.81 1.91 0.00 1.08 0.00 0.00 1.17 0.00 0.00 2.29 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.20 7.81 23 A 8.02 3.98 1.36 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 0.00 0.00 0.00 0.00 0.00 24 K 8.09 3.97 0.00 1.86 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.55 7.81 25 K 7.91 4.16 0.00 1.71 1.82 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.53 7.81 26 D 7.73 4.36 0.00 2.76 2.68 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 27 L 7.73 4.24 0.00 1.70 1.44 0.91 0.56 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 28 S 8.04 4.62 0.00 4.04 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 29 F 8.33 4.20 0.00 3.24 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 30 A 8.10 4.06 1.36 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 0.00 0.00 0.00 0.00 0.00 31 E 8.12 4.73 0.00 1.96 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 2.32 2.21 0.00 32 I 7.77 3.85 2.06 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.71 0.96 0.00 0.00 33 A 8.26 4.25 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 34 D 7.59 4.45 0.00 2.97 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 35 G 9.00 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 36 T 7.73 4.07 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 1.30 0.00 0.00 37 G 8.30 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.46 4.72 0.00 1.70 1.62 1.02 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.28 4.18 1.30 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 40 E 8.85 3.92 0.00 2.09 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 2.62 0.00 41 A 8.00 3.91 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 42 F 8.04 3.92 0.00 3.20 3.23 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 43 V 8.14 3.63 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 1.12 0.00 0.00 1.09 0.00 0.00 44 T 8.22 3.79 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 0.34 0.00 0.00 45 A 7.87 3.82 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 46 A 7.60 4.24 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.83 4.01 0.00 1.83 1.84 1.16 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.50 4.53 0.00 1.54 1.63 0.74 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.12 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 50 Q 8.24 4.53 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.48 6.63 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 51 Q 7.42 4.60 0.00 1.37 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.89 0.00 0.00 0.00 0.00 0.00 2.03 1.48 0.00 52 A 8.47 4.97 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 53 L 8.71 4.73 0.00 1.64 1.65 0.95 1.19 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 54 P 0.00 4.29 0.00 2.20 1.99 0.00 3.72 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 55 A 8.80 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 56 D 8.11 4.29 0.00 2.71 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 57 A 8.01 4.03 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 58 A 8.31 3.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.21 3.86 0.00 2.01 2.00 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 60 L 7.94 3.94 0.00 1.79 1.81 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.21 3.82 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 0.77 0.00 0.00 1.02 0.00 0.00 62 G 8.43 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 63 A 8.28 4.03 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 64 K 7.87 4.12 0.00 1.91 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.66 7.81 65 L 7.63 4.46 0.00 1.73 1.67 0.93 1.01 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 66 D 7.66 4.37 0.00 2.82 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 67 L 8.05 4.30 0.00 1.66 1.58 0.93 0.94 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 68 D 8.27 4.72 0.00 2.95 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 69 E 8.54 3.99 0.00 2.00 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 0.00 2.40 2.35 0.00 70 D 8.06 4.38 0.00 2.68 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 71 S 8.51 4.13 0.00 4.07 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 72 I 7.63 3.73 2.03 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 1.42 0.60 0.97 0.00 0.00 73 L 8.18 4.26 0.00 1.86 1.86 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.95 4.06 0.00 1.82 1.71 0.92 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.04 4.19 0.00 1.90 1.73 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.42 4.63 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.41 0.00 0.00 0.00 0.00 0.00 2.55 2.41 0.00 *78 I 7.34 4.08 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 1.42 0.86 0.92 0.00 0.00 79 P 0.00 4.72 0.00 2.11 2.04 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 80 L 8.30 4.34 0.00 1.81 1.65 0.91 0.93 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 81 R 8.39 4.19 0.00 1.82 1.88 0.00 3.24 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 82 G 8.29 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 0.00 0.00 0.00 83 C 8.06 4.35 0.00 3.05 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 84 I 7.42 4.12 1.85 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 1.30 0.55 0.91 0.00 0.00 85 D 8.89 4.47 0.00 2.61 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 86 D 7.35 4.64 0.00 2.58 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 87 R 8.22 4.34 0.00 1.99 2.07 0.00 3.21 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 88 I 7.14 4.11 1.73 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.72 0.53 0.00 0.00 89 P 0.00 4.45 0.00 2.18 2.05 0.00 3.39 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 90 T 8.27 4.27 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 91 D 7.97 4.54 0.00 2.68 2.68 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 P 0.00 4.50 0.00 2.26 2.13 0.00 3.69 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 93 T 7.56 3.80 4.49 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 1.36 0.00 0.00 *95 Y 7.91 4.64 0.00 3.24 3.24 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 96 R 8.09 4.09 0.00 1.53 1.75 0.00 3.41 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.78 0.00 97 F 8.00 4.15 0.00 3.09 3.14 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 98 Y 7.80 4.09 0.00 2.96 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.10 3.95 0.00 1.90 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 2.29 2.38 0.00 *101 L 7.94 4.24 0.00 1.58 1.58 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.66 3.83 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.92 0.00 0.00 0.00 0.00 0.00 1.71 2.34 0.00 103 V 7.58 3.69 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 0.15 0.00 0.00 0.85 0.00 0.00 104 Y 7.57 4.73 0.00 3.00 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 0.00 105 G 8.19 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 0.00 0.00 0.00 0.00 106 T 7.83 4.00 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 1.21 0.00 0.00 107 T 7.91 3.93 4.61 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 1.33 0.00 0.00 108 L 8.45 4.01 0.00 1.85 1.73 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.18 3.80 0.00 1.83 1.98 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.46 7.81 110 A 8.09 4.04 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 0.00 111 L 8.37 4.00 0.00 1.76 1.76 0.94 0.70 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 0.00 112 V 8.20 3.83 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 0.98 0.00 0.00 0.98 0.00 0.00 113 H 8.28 4.90 0.00 3.26 3.34 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.23 3.95 0.00 1.98 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 2.29 2.33 0.00 115 K 8.27 3.95 0.00 1.60 1.20 0.00 1.71 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.56 7.81 116 F 9.09 4.26 0.00 2.51 1.45 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 0.00 0.00 0.00 0.00 117 G 7.13 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 0.00 0.00 0.00 0.00 118 D 8.42 4.72 0.00 2.79 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 0.00 119 G 7.90 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 0.00 120 I 8.19 4.81 1.85 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 1.18 0.62 0.92 0.00 0.00 121 I 8.13 4.60 1.82 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.67 0.95 0.00 0.00 122 S 9.03 4.25 0.00 3.89 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 0.00 123 A 8.44 3.83 0.97 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 0.00 124 I 7.97 4.33 1.87 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 1.15 0.97 0.93 0.00 0.00 125 N 7.82 4.79 0.00 2.80 2.74 0.00 0.00 6.51 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 0.00 126 F 8.01 5.51 0.00 3.14 2.96 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 0.00 127 K 8.03 4.62 0.00 1.62 1.65 0.00 1.21 0.00 0.00 1.61 0.00 0.00 2.78 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.11 1.13 7.81 128 L 8.35 5.61 0.00 1.71 1.37 1.03 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.39 4.82 0.00 2.65 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 0.00 130 V 8.37 4.75 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 0.83 0.00 0.00 0.90 0.00 0.00 131 K 9.00 4.66 0.00 1.83 1.59 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.35 7.81 132 K 8.66 4.95 0.00 1.83 1.70 0.00 1.95 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.48 7.81 133 V 8.75 4.71 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 0.67 0.00 0.00 0.94 0.00 0.00 134 A 8.53 4.52 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 0.00 135 D 8.74 4.61 0.00 2.69 2.63 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 0.00 136 P 0.00 4.26 0.00 2.08 2.10 0.00 3.72 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 137 E 8.59 4.17 0.00 2.01 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 2.33 2.34 0.00 138 G 8.55 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 0.00 139 G 9.58 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 0.00 140 E 8.26 5.18 0.00 1.81 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 2.21 2.33 0.00 141 R 9.36 4.83 0.00 1.67 1.77 0.00 3.23 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 142 A 8.58 5.05 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 0.00 143 V 8.94 4.19 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 1.05 0.00 0.00 0.94 0.00 0.00 144 I 8.36 4.83 2.00 0.00 0.00 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 1.41 0.82 1.00 0.00 0.00 145 T 8.82 4.53 4.45 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 0.00 0.00 0.00 1.17 0.00 0.00 146 L 8.56 4.75 0.00 1.62 1.91 1.02 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.55 4.66 0.00 2.65 2.42 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 0.00 148 G 8.49 4.73 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 0.00 0.00 0.00 149 K 8.77 4.32 0.00 1.94 1.70 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.44 7.81 150 Y 8.64 4.75 0.00 2.69 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 0.00 151 L 8.38 4.64 0.00 1.44 1.40 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 152 P 0.00 4.58 0.00 2.05 1.94 0.00 3.47 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.91 0.00 153 T 8.67 4.49 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 1.25 0.00 0.00 154 K 8.46 4.71 0.00 1.76 1.73 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.45 7.81 155 P 0.00 4.37 0.00 2.01 1.91 0.00 3.64 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 2.02 2.06 0.00 156 F 7.86 4.58 0.00 3.04 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 * Residues marked with a * may have inaccurate shift predictions.