NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 L 4.4453 8.1693 122.5052 54.9108 43.0192 176.6863 9 Q 4.1562 8.4356 127.2136 55.0715 30.3784 173.7794 10 S 4.8347 9.1298 112.3662 58.2495 65.2421 175.9349 11 Q 4.6402 7.5033 116.8958 54.7694 31.4453 174.6804 12 F 4.8472 8.6989 122.1469 55.7151 43.3506 174.6315 13 F 4.9436 9.1885 120.5335 55.5090 41.8611 176.2460 14 I 3.6401 8.7491 119.0165 64.7851 37.1040 177.1514 15 E 4.0003 8.2173 116.9255 59.7560 29.6429 178.5022 16 H 4.8517 8.6114 117.4011 58.7986 28.9337 177.7077 17 I 3.9444 7.9856 121.1112 64.4795 36.6480 178.2958 18 L 4.0106 8.0184 119.2346 57.7547 41.5494 178.9764 19 Q 4.1615 8.2475 116.6611 57.0830 28.5597 177.2829 20 I 3.6865 7.3175 118.6057 62.5977 38.8671 176.1453 21 L 4.1673 7.8086 119.5674 53.8481 41.9933 175.5729 22 P 4.4446 0.0000 0.0000 63.6872 32.1106 176.1345 23 H 4.2757 8.0612 117.1207 55.9128 29.2872 174.3992 24 R 4.7483 8.0864 120.9680 53.7652 33.9999 173.8622 25 Y 4.2965 8.5936 119.7648 57.8814 39.1429 174.4506 26 P 3.8535 0.0000 0.0000 62.9457 31.5803 175.5219 27 M 4.4961 8.5830 115.6478 55.6686 33.6810 175.8856 28 L 4.3490 7.8430 121.6538 54.2747 41.6778 175.9308 29 L 4.7993 8.4383 127.7024 54.3120 42.3805 176.7149 30 V 4.4849 7.6627 117.6465 61.4235 33.8677 174.3604 31 D 4.6203 8.5700 127.1421 56.0862 42.1070 177.0292 32 R 4.4293 7.0609 116.2576 55.0213 33.9600 173.7067 33 I 4.5908 8.3593 126.8745 60.2176 38.2813 176.2681 34 T 4.3456 8.9605 118.1826 62.5890 70.1945 174.7291 35 E 4.8871 7.9499 122.1756 55.0105 33.3485 173.5629 36 L 4.9946 9.1522 128.1529 54.1456 45.8501 174.5903 37 Q 4.6377 9.5330 125.3694 53.7010 31.5326 174.8246 38 A 4.0047 8.8702 126.4013 54.0910 18.6503 176.5743 39 N 4.5008 9.1020 117.9124 54.2188 37.2464 173.9764 40 Q 4.6964 8.4229 115.6759 56.4091 31.3466 175.3759 41 K 5.0939 7.7714 115.2710 56.3715 36.4874 173.4133 42 I 5.0580 8.7724 119.7474 59.9029 42.1523 173.5431 43 V 4.9329 9.0273 126.8104 61.4513 34.7568 174.1737 44 A 5.0587 8.7514 129.1017 51.4569 23.3426 173.3956 45 Y 4.7843 8.1149 113.3840 56.3357 42.0177 173.5728 46 K 4.9175 8.7047 121.6642 54.6291 35.4515 174.9704 47 N 4.8970 9.8252 125.6950 53.2383 39.6652 174.5390 48 I 4.5204 8.5153 124.1749 60.0588 39.5582 174.7384 49 T 4.9422 9.1302 121.3304 59.9269 70.7085 174.6179 50 F 3.8662 8.9642 127.5365 61.2161 39.6720 177.3588 51 N 4.8387 7.6665 117.2291 53.3735 38.0754 173.8464 52 E 4.7510 8.9219 116.9648 53.7461 31.9723 176.6575 53 D 4.3477 9.0098 123.1186 57.6935 40.9323 178.8444 54 V 3.3774 7.6551 118.8167 64.8062 31.1451 177.7669 55 F 4.4888 7.9808 117.1109 59.2539 38.5642 177.0933 56 N 4.6683 8.2735 116.4094 55.1244 38.3262 175.6746 57 G 4.1256 7.5662 106.0000 45.2122 0.0000 172.9338 58 H 3.5071 7.6928 118.2285 53.9046 30.0168 171.5793 59 F 5.2168 8.9464 121.1302 54.2551 43.5238 172.9580 60 P 4.4302 0.0000 0.0000 64.7023 31.2823 176.1829 61 N 4.3532 9.3539 118.2671 53.8181 36.6966 175.5264 62 K 4.7043 8.3687 119.2018 54.6472 33.6560 172.2262 63 P 4.8196 0.0000 0.0000 62.9551 32.2253 177.3633 64 I 4.9425 9.0386 125.1703 59.4878 41.0927 174.7442 65 F 4.2860 9.6334 131.3587 57.4107 40.1271 173.2860 66 P 3.7987 0.0000 0.0000 62.8341 31.9097 177.0406 67 G 2.9250 8.5494 110.0350 47.9763 0.0000 176.0047 68 V 3.7785 7.5240 114.4125 64.0781 31.5187 178.4899 69 L 4.0109 7.5103 118.3310 57.3771 41.3250 179.4905 70 I 4.1703 7.7365 120.3229 64.3299 36.9705 178.5647 71 V 3.7078 7.9437 118.7693 65.9838 31.5210 177.3513 72 E 4.2674 8.3793 119.2858 59.5538 29.4798 179.1714 73 G 3.6102 8.1628 106.9307 47.3554 0.0000 175.6981 74 M 3.6483 7.7545 120.7214 57.8370 31.9191 178.6694 75 A 3.8158 8.1944 121.3991 55.2739 18.5177 179.7711 76 Q 3.8758 7.9672 116.4801 58.9121 28.6498 179.2504 77 S 4.1301 7.7974 116.3909 61.3700 62.8955 176.7867 78 G 3.6971 8.1489 108.5820 47.9074 0.0000 175.8158 79 G 3.6657 8.3500 108.9650 47.3845 0.0000 175.5159 80 F 3.8936 8.0575 122.8241 60.7514 39.3853 177.1146 81 L 3.8167 8.0112 119.8065 57.9839 41.5529 178.4334 82 A 2.0000 7.8310 120.9705 54.4563 18.0074 179.3418 83 F 3.9051 7.8349 118.8803 61.6681 39.5601 177.5277 84 T 4.2189 7.4687 110.2710 64.0306 68.1603 176.5793 85 S 4.0876 7.5038 117.8711 61.1541 62.8944 175.7706 86 L 3.9670 6.8799 119.8768 55.5604 41.6672 177.5594 87 W 4.7968 7.1862 114.6742 55.0021 31.3799 177.2293 88 G 3.8645 7.7491 108.7372 45.7876 0.0000 173.4971 89 F 4.6367 8.7653 118.2681 56.8783 38.0193 174.2579 90 D 4.7745 7.8546 123.5105 50.5366 41.6926 174.2755 91 P 4.2397 0.0000 0.0000 64.3389 31.2398 177.6018 92 E 3.8740 8.0221 117.1077 59.2178 29.8876 178.4022 93 I 3.7451 7.8243 119.0734 63.8718 37.0645 177.8955 94 A 3.4756 7.7988 120.7247 55.0567 18.0349 179.5509 95 K 3.9904 7.6273 115.3270 58.3957 32.0481 177.4652 96 T 4.6379 8.0992 110.5736 60.9436 69.5782 174.3785 97 K 5.1232 7.9914 119.1905 56.4997 36.9319 175.0933 98 I 4.4459 8.0695 113.1378 60.0818 40.9020 173.4273 99 V 4.8735 8.0430 122.2551 61.4054 33.9937 174.2165 100 Y 4.7971 9.2303 124.3298 55.9834 41.0986 174.9874 101 F 4.4920 9.2310 123.6403 58.2985 39.2110 174.5268 102 M 4.7166 9.8224 123.8638 56.9727 33.5080 176.3646 103 T 4.8687 7.7983 106.3513 60.6561 72.5362 172.4870 104 I 5.1956 7.9585 121.7947 60.2858 41.3516 173.7797 105 D 4.3665 9.3275 122.7141 53.5086 45.4199 174.8603 106 K 4.0108 8.4688 118.2267 57.5282 29.6451 175.7641 107 V 5.0098 7.4442 109.8405 59.3571 33.5582 176.8154 108 K 4.3592 8.0951 122.7599 54.6195 36.3649 175.2839 109 F 5.0679 8.7123 123.3046 56.3043 39.2156 175.3890 110 R 4.3190 8.8222 123.7746 58.0545 30.8729 177.7775 111 I 4.6630 7.6337 118.0754 58.2816 40.5868 173.2028 112 P 4.4878 0.0000 0.0000 63.1566 31.9900 175.6110 113 V 4.6596 8.5694 122.6724 61.8514 33.7220 174.4965 114 T 5.1169 9.1651 116.7453 58.8723 73.0361 171.3401 115 P 4.4145 0.0000 0.0000 64.6841 31.4946 177.0238 116 G 4.0163 9.2522 111.4271 44.9622 0.0000 172.8423 117 D 4.7001 7.8561 119.7397 53.1207 43.0081 176.0309 118 R 4.5760 8.3270 123.4049 54.6232 30.1225 174.8523 119 L 3.9903 8.4182 127.9393 54.7878 42.5821 174.4970 120 E 4.6841 9.1933 128.8371 55.2028 31.3430 174.1587 121 Y 5.4124 8.9185 125.0419 56.8840 40.3951 174.3170 122 H 5.2323 9.8265 121.5200 54.1202 31.8635 172.7627 123 L 5.4532 8.9792 123.3130 52.8032 46.0992 175.6894 124 E 5.1502 9.0213 119.4439 54.3716 33.4479 175.0655 125 V 4.2429 8.8824 122.4921 62.9682 31.2792 175.8000 126 L 4.3283 9.3123 129.7628 57.4560 42.3676 177.3723 127 K 4.5333 7.6514 116.9180 55.9696 35.6110 174.0368 128 H 4.6678 8.2038 117.3345 54.6260 30.6911 173.7183 129 K 4.0061 8.5883 121.9388 56.9076 35.4948 175.1229 130 G 4.0899 8.3150 114.4523 46.9187 0.0000 174.9055 131 M 4.4550 8.6384 122.2838 56.4726 32.7108 175.2693 132 I 4.7423 7.5012 120.2597 60.2764 38.6048 174.8801 133 W 5.0194 9.3007 127.2737 54.6877 32.8396 174.3789 134 Q 5.1030 9.6776 125.9506 54.6432 30.7740 174.6169 135 V 5.0919 8.8610 119.8025 59.9170 35.7867 175.0280 136 G 4.3713 8.4482 108.3107 44.6281 0.0000 173.4110 137 G 4.3744 7.9462 108.9237 46.2546 0.0000 171.3209 138 T 5.3111 8.4120 112.9774 60.1428 73.3995 173.0036 139 A 5.3491 9.0870 122.9278 50.3604 21.8200 175.4128 140 Q 5.0882 9.8735 121.9280 54.0640 33.5297 175.1041 141 V 4.3509 8.2608 120.6004 61.0862 34.4175 175.0518 142 D 4.4742 9.4587 129.9078 55.3501 39.0996 174.5653 143 G 4.0338 8.0044 105.4792 45.8116 0.0000 173.0945 144 K 4.4003 7.4203 119.3901 54.5807 33.5195 176.0717 145 V 4.0561 8.2605 123.0311 63.0013 31.8841 175.6338 146 V 4.2268 8.6747 127.7172 64.5131 33.0058 175.1219 147 A 5.0574 7.5583 119.0441 51.2983 22.4262 174.9434 148 E 5.1742 8.5352 118.0429 54.9687 34.1108 174.8216 149 A 4.8921 8.3754 121.8379 51.5937 23.7225 175.0779 150 E 5.2596 8.6596 118.2218 54.6889 33.8385 175.0834 151 L 5.3295 9.4136 123.2989 54.3109 44.7765 174.4702 152 K 5.1128 9.3789 121.5548 54.7857 35.1486 174.8065 153 A 5.2837 9.0337 127.8327 50.3830 23.3133 174.0085 154 M 5.4105 9.1216 117.9988 54.2573 36.0511 173.7440 155 I 4.9420 8.5478 126.5771 60.2389 38.6523 175.1076 156 A 4.9411 8.9755 127.9058 49.6741 21.7240 174.9426 157 E 4.6206 9.0839 119.8451 56.0587 29.8710 178.4332 158 R 4.0002 8.8937 124.3129 59.2979 30.4303 177.2821 *159 E 4.1405 7.4222 118.3923 56.0458 30.4763 180.1255 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 8 L 8.17 4.45 0.00 1.72 1.77 1.22 0.59 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 9 Q 8.44 4.16 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.74 0.00 0.00 0.00 0.00 0.00 1.19 1.76 0.00 10 S 9.13 4.83 0.00 3.87 3.81 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 0.00 0.00 0.00 11 Q 7.50 4.64 0.00 1.75 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.48 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 12 F 8.70 4.85 0.00 2.84 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 13 F 9.19 4.94 0.00 3.04 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 14 I 8.75 3.64 1.90 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 1.71 1.24 0.96 0.00 0.00 15 E 8.22 4.00 0.00 2.13 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 2.30 2.12 0.00 16 H 8.61 4.85 0.00 3.70 3.88 0.00 5.82 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.99 3.94 1.99 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 1.14 0.62 0.86 0.00 0.00 18 L 8.02 4.01 0.00 1.95 1.77 0.94 0.88 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 19 Q 8.25 4.16 0.00 2.33 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.60 0.00 0.00 0.00 0.00 0.00 2.43 2.73 0.00 20 I 7.32 3.69 1.98 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.71 0.27 0.00 0.00 21 L 7.81 4.17 0.00 1.74 1.61 0.91 1.30 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 22 P 0.00 4.44 0.00 2.02 2.00 0.00 3.79 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 23 H 8.06 4.28 0.00 3.08 3.39 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.09 4.75 0.00 1.79 1.85 0.00 3.32 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.51 0.00 25 Y 8.59 4.30 0.00 2.93 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 26 P 0.00 3.85 0.00 1.60 0.63 0.00 3.61 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 1.63 1.68 0.00 27 M 8.58 4.50 0.00 1.90 2.09 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 28 L 7.84 4.35 0.00 1.66 1.63 0.89 1.00 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 29 L 8.44 4.80 0.00 1.71 1.82 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.66 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 0.75 0.00 0.00 0.82 0.00 0.00 31 D 8.57 4.62 0.00 2.35 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 32 R 7.06 4.43 0.00 1.43 0.84 0.00 3.25 0.00 0.00 3.06 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.27 0.00 33 I 8.36 4.59 1.96 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.13 0.98 0.00 0.00 34 T 8.96 4.35 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 1.35 0.00 0.00 35 E 7.95 4.89 0.00 2.05 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 36 L 9.15 4.99 0.00 1.81 1.73 1.14 0.90 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 37 Q 9.53 4.64 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.62 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 38 A 8.87 4.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 9.10 4.50 0.00 2.93 2.91 0.00 0.00 6.82 7.03 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 40 Q 8.42 4.70 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.57 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 41 K 7.77 5.09 0.00 1.92 1.92 0.00 1.56 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.49 7.81 42 I 8.77 5.06 1.95 0.00 0.00 1.00 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 1.57 1.02 0.00 0.00 43 V 9.03 4.93 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.96 0.00 0.00 44 A 8.75 5.06 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 45 Y 8.11 4.78 0.00 2.95 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 46 K 8.70 4.92 0.00 2.07 1.56 0.00 1.95 0.00 0.00 1.51 0.00 0.00 2.94 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.32 1.44 7.81 47 N 9.83 4.90 0.00 2.66 2.78 0.00 0.00 6.96 7.62 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 48 I 8.52 4.52 1.90 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.71 1.03 0.00 0.00 49 T 9.13 4.94 4.32 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 1.37 0.00 0.00 50 F 8.96 3.87 0.00 3.06 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 51 N 7.67 4.84 0.00 2.88 2.89 0.00 0.00 7.06 7.53 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 52 E 8.92 4.75 0.00 2.01 1.77 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 2.33 2.66 0.00 53 D 9.01 4.35 0.00 2.85 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 54 V 7.66 3.38 1.77 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 0.16 0.00 0.00 0.50 0.00 0.00 55 F 7.98 4.49 0.00 3.00 2.81 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 0.00 0.00 0.00 56 N 8.27 4.67 0.00 2.81 2.89 0.00 0.00 6.67 8.52 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 57 G 7.57 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 0.00 0.00 0.00 0.00 58 H 7.69 3.51 0.00 2.81 2.76 0.00 5.53 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.95 5.22 0.00 3.13 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 60 P 0.00 4.43 0.00 2.12 2.11 0.00 4.04 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.38 0.00 61 N 9.35 4.35 0.00 2.92 2.95 0.00 0.00 6.85 7.61 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 62 K 8.37 4.70 0.00 1.82 1.77 0.00 1.57 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.55 7.81 63 P 0.00 4.82 0.00 1.49 2.00 0.00 3.85 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.09 0.00 64 I 9.04 4.94 2.19 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.96 1.10 0.00 0.00 65 F 9.63 4.29 0.00 3.16 3.10 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 0.00 0.00 0.00 66 P 0.00 3.80 0.00 1.60 1.49 0.00 2.45 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.17 0.00 67 G 8.55 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 0.00 0.00 0.00 68 V 7.52 3.78 2.02 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 0.87 0.00 0.00 0.77 0.00 0.00 69 L 7.51 4.01 0.00 1.14 1.30 0.32 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.74 4.17 2.34 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.20 1.24 0.00 0.00 71 V 7.94 3.71 2.34 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 1.24 0.00 0.00 1.12 0.00 0.00 72 E 8.38 4.27 0.00 2.20 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 2.33 2.50 0.00 73 G 8.16 3.61 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 0.00 0.00 0.00 74 M 7.75 3.65 0.00 2.12 2.30 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.74 0.00 75 A 8.19 3.82 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.97 3.88 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 1.99 2.48 0.00 77 S 7.80 4.13 0.00 3.94 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 78 G 8.15 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 0.00 0.00 0.00 79 G 8.35 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 8.06 3.89 0.00 3.21 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 81 L 8.01 3.82 0.00 1.85 1.78 1.01 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 82 A 7.83 2.00 0.18 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 83 F 7.83 3.91 0.00 3.13 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.47 4.22 4.12 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 0.55 0.00 0.00 85 S 7.50 4.09 0.00 3.88 4.11 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 86 L 6.88 3.97 0.00 0.87 0.13 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 87 W 7.19 4.80 0.00 2.54 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 88 G 7.75 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 89 F 8.77 4.64 0.00 3.19 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 90 D 7.85 4.77 0.00 2.95 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 91 P 0.00 4.24 0.00 2.09 1.91 0.00 3.81 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.24 0.00 92 E 8.02 3.87 0.00 1.89 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 2.26 2.41 0.00 93 I 7.82 3.75 1.55 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.48 -0.08 0.00 0.00 94 A 7.80 3.48 0.59 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 0.00 0.00 95 K 7.63 3.99 0.00 1.80 1.79 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.23 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.66 7.81 96 T 8.10 4.64 4.31 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 1.12 0.00 0.00 97 K 7.99 5.12 0.00 1.46 1.69 0.00 1.87 0.00 0.00 2.61 0.00 0.00 2.61 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.31 1.12 7.81 98 I 8.07 4.45 1.62 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.46 0.79 0.00 0.00 99 V 8.04 4.87 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 0.79 0.00 0.00 0.89 0.00 0.00 100 Y 9.23 4.80 0.00 3.10 2.81 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 0.00 0.00 0.00 101 F 9.23 4.49 0.00 3.04 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 0.00 102 M 9.82 4.72 0.00 1.92 2.33 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.54 0.00 103 T 7.80 4.87 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 1.26 0.00 0.00 104 I 7.96 5.20 1.81 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.46 0.91 0.00 0.00 105 D 9.33 4.37 0.00 2.74 2.46 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 0.00 0.00 0.00 0.00 106 K 8.47 4.01 0.00 1.91 1.84 0.00 2.01 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.44 7.81 107 V 7.44 5.01 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 0.78 0.00 0.00 0.49 0.00 0.00 108 K 8.10 4.36 0.00 1.57 1.59 0.00 1.83 0.00 0.00 1.80 0.00 0.00 2.80 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.36 7.81 109 F 8.71 5.07 0.00 2.97 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 0.00 110 R 8.82 4.32 0.00 1.93 2.03 0.00 3.14 0.00 0.00 3.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 111 I 7.63 4.66 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.66 0.96 0.00 0.00 112 P 0.00 4.49 0.00 2.16 2.13 0.00 3.81 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 2.04 2.02 0.00 113 V 8.57 4.66 2.33 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 1.12 0.00 0.00 1.12 0.00 0.00 114 T 9.17 5.12 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 1.31 0.00 0.00 115 P 0.00 4.41 0.00 2.01 2.15 0.00 3.52 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.36 0.00 116 G 9.25 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 D 7.86 4.70 0.00 2.68 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 0.00 118 R 8.33 4.58 0.00 1.69 1.71 0.00 2.21 0.00 0.00 2.80 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.59 0.00 119 L 8.42 3.99 0.00 1.63 1.45 0.94 0.66 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 0.00 120 E 9.19 4.68 0.00 1.96 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 2.18 2.34 0.00 121 Y 8.92 5.41 0.00 2.95 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 0.00 122 H 9.83 5.23 0.00 3.15 3.26 0.00 5.56 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 L 8.98 5.45 0.00 1.66 1.55 0.96 0.69 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 0.00 124 E 9.02 5.15 0.00 2.14 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 2.40 2.26 0.00 125 V 8.88 4.24 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 0.83 0.00 0.00 1.22 0.00 0.00 126 L 9.31 4.33 0.00 1.65 1.72 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 127 K 7.65 4.53 0.00 1.74 1.55 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.77 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.26 1.29 7.81 128 H 8.20 4.67 0.00 1.40 2.48 0.00 5.80 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 K 8.59 4.01 0.00 1.77 1.71 0.00 1.28 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.21 1.29 7.81 130 G 8.31 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 0.00 0.00 0.00 131 M 8.64 4.46 0.00 2.48 2.24 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.62 0.00 132 I 7.50 4.74 2.00 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 1.30 1.02 0.94 0.00 0.00 133 W 9.30 5.02 0.00 3.26 3.18 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 0.00 134 Q 9.68 5.10 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.68 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 135 V 8.86 5.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.03 0.00 0.00 136 G 8.45 4.37 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 0.00 137 G 7.95 4.37 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 0.00 138 T 8.41 5.31 4.37 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 1.24 0.00 0.00 139 A 9.09 5.35 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.87 5.09 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 141 V 8.26 4.35 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 0.97 0.00 0.00 0.92 0.00 0.00 142 D 9.46 4.47 0.00 2.78 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.00 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 0.00 0.00 0.00 0.00 144 K 7.42 4.40 0.00 1.82 1.73 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.36 7.81 145 V 8.26 4.06 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 0.84 0.00 0.00 0.94 0.00 0.00 146 V 8.67 4.23 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 1.07 0.00 0.00 0.99 0.00 0.00 147 A 7.56 5.06 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 0.00 148 E 8.54 5.17 0.00 1.86 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 2.22 2.24 0.00 149 A 8.38 4.89 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 0.00 150 E 8.66 5.26 0.00 2.05 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 2.25 2.25 0.00 151 L 9.41 5.33 0.00 2.14 1.97 0.79 0.70 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 0.00 152 K 9.38 5.11 0.00 1.88 1.75 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.39 1.55 7.81 153 A 9.03 5.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 9.12 5.41 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.64 0.00 155 I 8.55 4.94 2.11 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.78 1.16 0.00 0.00 156 A 8.98 4.94 1.38 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 0.00 0.00 0.00 157 E 9.08 4.62 0.00 1.95 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 2.45 2.13 0.00 158 R 8.89 4.00 0.00 1.79 2.03 0.00 3.09 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 *159 E 7.42 4.14 0.00 1.75 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 2.17 2.53 0.00 * Residues marked with a * may have inaccurate shift predictions.