NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 L 4.2803 8.1693 120.6325 55.2509 42.2643 176.4593 6 T 4.2155 7.6085 114.9434 59.3388 71.9039 173.8001 7 L 4.0799 8.5601 121.8927 58.4219 42.5317 179.3903 8 N 4.6664 8.1291 117.8416 56.1689 38.7149 176.8598 9 V 3.6520 7.4580 118.9321 66.0452 31.7301 177.8174 10 L 4.2804 8.0406 117.6597 57.7745 41.5430 179.0718 11 Q 4.4846 8.3617 118.3743 57.6958 29.8933 176.3629 12 T 4.5240 7.5189 112.6405 59.8037 66.3114 172.4683 *14 N 4.6037 7.5506 122.3103 52.9427 39.5442 175.8058 15 A 4.0241 8.6507 118.6374 55.6948 18.1552 179.4942 16 Q 3.9586 8.0904 117.3808 59.4334 28.8682 178.1289 17 E 4.0411 8.2007 119.0340 59.1748 29.5013 178.8593 18 Y 3.8794 7.9739 116.7659 61.1547 37.9836 178.1417 19 E 4.0755 8.3133 119.4261 59.4101 29.5585 179.2460 20 D 4.3599 8.4390 119.6030 57.4217 40.6433 178.8484 21 I 3.7625 7.2770 119.0809 64.1278 37.2225 178.0459 22 R 4.0204 7.9205 119.0455 59.5013 29.7040 178.5251 23 A 4.1067 8.0612 119.1430 54.8539 18.3823 179.1684 24 A 4.1589 7.7278 118.8828 52.8224 18.7471 177.5038 25 G 4.3370 6.8001 103.0171 43.4046 0.0000 173.9461 26 S 4.0809 8.2654 114.2480 61.4583 62.2877 175.8678 27 D 4.3313 7.9937 121.1771 57.2317 40.7231 178.4398 28 E 3.9710 8.0645 118.7414 59.2668 29.4834 179.1690 29 R 3.8712 8.3261 119.1251 59.3899 30.1945 178.3092 30 R 3.9844 8.1304 118.6161 59.5151 30.0121 177.7893 31 E 3.9292 8.1734 118.8709 59.3517 29.6036 178.5518 32 L 3.9741 7.8453 119.9509 58.5128 41.9312 178.9721 33 T 3.9515 8.0505 114.7069 67.2068 68.5123 176.0109 34 H 4.5313 8.2580 116.5433 58.8354 28.7606 177.4529 35 A 4.2776 7.9495 121.9584 54.9584 18.3284 179.8805 36 V 3.6132 7.6873 112.6447 64.3438 30.9789 177.4694 *38 R 4.3090 7.8793 118.5144 55.9420 31.4962 175.9711 39 E 4.3329 8.1191 114.9127 56.8672 29.9914 176.1140 40 L 4.7312 7.7189 118.1066 52.8582 44.1887 175.4320 41 D 4.7885 8.2809 120.3473 52.2472 42.7165 176.1262 42 A 4.2301 8.5850 127.9623 50.9443 19.4038 175.3746 43 P 4.2123 0.0000 0.0000 62.0225 32.0057 175.7301 44 D 4.6150 8.3126 120.5993 56.1650 41.0008 176.7605 45 N 4.4843 9.1093 119.1971 53.4756 36.2211 173.7307 46 W 5.1025 8.2139 118.2581 55.5820 31.4750 176.2888 47 T 4.7785 8.3470 111.8965 60.5247 71.8759 172.4674 *49 N 4.7997 8.6177 116.7831 53.8357 40.2201 174.3341 50 G 4.1199 8.5357 109.7584 44.7497 0.0000 172.2952 51 E 3.8342 8.3855 122.0717 55.1173 30.3855 176.4008 52 Y 4.8776 9.3280 123.9334 57.9414 41.2741 176.0083 53 G 4.1851 8.6471 105.4022 45.6965 0.0000 173.5540 54 S 4.7441 8.8912 117.4549 57.4253 63.6448 175.7506 55 E 3.8916 8.2280 120.6105 59.2171 29.2923 177.4253 56 F 5.1163 8.6683 117.5365 57.4284 38.9995 176.1476 57 G 3.7011 8.4968 112.6454 44.1795 0.0000 176.1794 58 G 4.1126 8.5166 106.0993 46.8260 0.0000 175.4118 59 F 4.1924 7.1143 119.8566 59.0225 38.9720 175.7514 60 F 5.0164 7.0766 118.4371 54.6526 41.7378 173.2423 61 P 4.4038 0.0000 0.0000 65.1129 31.5101 176.8351 62 V 4.5552 8.0388 117.5475 60.9522 34.6985 174.3659 63 Q 5.0448 8.7303 127.6424 54.4773 32.6175 173.3601 64 V 4.8304 8.9128 126.3231 61.1875 34.2120 174.2538 65 R 4.8810 8.8178 127.1602 54.4986 32.2582 175.7440 66 F 5.2919 9.4249 121.1590 56.1811 42.5640 174.2332 67 T 4.5488 8.9856 120.1786 60.6097 72.2742 172.4750 68 P 3.0111 0.0000 0.0000 61.4500 32.0028 177.0779 69 A 3.8617 7.3177 122.9136 55.4920 17.7996 179.1446 70 H 4.2610 7.6724 110.4367 56.4657 29.0298 175.9618 71 E 3.7212 7.4149 117.8733 57.3017 27.4600 175.9812 72 R 4.1136 7.5572 121.2974 58.8415 30.3006 176.1030 73 F 5.4427 7.1815 110.8064 56.3516 41.0594 172.6276 74 H 5.0123 9.2475 113.4733 54.4567 32.3874 172.1745 75 L 5.4714 9.4211 118.7916 53.0900 44.9315 175.5399 76 A 5.2190 8.8679 123.0969 50.1798 22.4078 174.6418 77 L 4.9879 9.4331 125.5961 54.0749 44.0353 174.9236 78 C 5.0602 9.2558 124.7600 57.5862 30.5937 174.2370 79 S 2.7900 8.3323 119.2502 56.2998 63.4742 172.3634 80 P 4.2519 0.0000 0.0000 62.4576 31.3257 177.7291 81 G 4.0075 7.9845 107.0949 46.6050 0.0000 173.5648 82 D 4.3898 8.7802 119.9255 57.5644 41.1957 178.2686 83 V 3.7613 7.8818 117.4395 65.1805 31.9820 176.0165 84 S 4.6956 7.6002 110.2696 56.4187 65.1200 174.5899 85 Q 4.0808 8.8232 125.7307 57.8354 28.9142 176.1984 86 V 4.6501 7.0953 109.5272 58.5730 35.3662 175.7717 87 W 4.3200 9.0167 122.9716 57.0871 30.3140 175.4828 88 V 4.7400 9.0565 124.1601 60.9795 34.3658 173.6520 89 L 5.1559 8.9996 130.3769 53.7004 43.8286 175.4943 90 V 4.7310 8.7336 119.4897 59.3690 35.6515 174.3078 91 L 5.1520 8.3427 124.6489 53.2673 44.9688 175.2050 92 V 4.6735 8.6901 126.2953 60.8161 34.0960 174.3303 93 N 4.9861 9.1132 127.3480 53.1612 40.2241 174.2210 94 A 4.2639 8.5163 128.0592 53.9532 18.8524 178.4175 95 G 3.8833 8.7178 110.8840 44.9237 0.0000 174.4803 96 G 4.0130 9.4202 107.8724 45.1391 0.0000 173.3885 97 E 4.6870 7.5540 119.4199 53.7799 32.8697 172.7297 98 P 4.7133 0.0000 0.0000 62.9655 33.0924 174.6488 99 F 5.3955 8.4523 121.1402 57.1044 42.6390 173.1092 100 A 4.2899 7.2754 123.6218 50.5711 23.1185 175.6341 101 V 3.9225 8.1308 120.5733 63.0763 31.5817 176.1991 102 V 4.1725 8.5746 121.2596 62.0773 33.5007 175.5926 103 Q 4.6522 7.5357 119.3580 55.0931 32.2052 173.0423 104 V 5.0553 8.4685 118.1567 59.7165 35.3767 174.9574 105 Q 4.5466 9.1210 122.3993 54.2190 31.9416 176.6386 106 R 3.9869 9.0922 124.2928 58.5084 30.5933 176.7546 107 R 4.8430 7.6857 114.8022 53.5744 33.1049 174.7908 108 F 3.4211 9.2803 123.0573 59.0509 39.4247 175.3040 109 A 4.1939 8.2920 129.9044 49.1942 19.9183 176.3848 110 S 3.2964 7.2798 118.2405 62.0519 63.3624 176.3879 111 E 3.8367 7.8401 122.0628 58.6139 29.2120 179.0628 112 A 3.8895 7.6808 120.4228 54.9211 18.5000 179.6311 113 V 3.3429 7.3155 116.3753 66.3739 31.5882 178.4321 114 S 3.8927 7.7389 114.6757 61.8176 62.5514 176.6002 115 H 4.0301 8.0766 118.8991 58.9060 28.4760 177.9884 116 S 4.0876 7.8784 116.9014 61.4217 62.5102 176.8508 117 L 3.6003 7.7538 121.3772 57.5382 41.3193 179.2160 118 A 3.6792 7.9148 121.0557 54.9790 18.2296 179.4217 119 L 3.7546 8.1987 118.8049 58.1597 42.1306 178.7635 120 A 4.0125 8.3182 120.8450 55.2681 18.3172 179.3247 121 A 4.3496 8.0135 119.5534 55.6199 18.4282 180.0939 122 S 4.2211 8.0691 112.6983 61.5536 63.0645 176.5431 123 L 4.0757 8.1444 122.7003 57.4804 41.3412 179.0052 124 D 4.5175 8.5936 118.0447 57.8672 41.1045 178.2242 125 T 4.0250 8.3568 115.1331 66.9518 68.6430 175.9496 126 Q 4.3644 8.4695 116.9193 56.3438 28.7389 176.8625 127 G 3.9096 8.0705 108.3278 46.0732 0.0000 173.5713 128 Y 4.1063 8.0929 117.0499 57.1274 38.6317 176.8241 129 S 4.4150 8.4575 118.3167 57.9583 65.3384 175.5109 130 V 3.3539 8.2623 122.1187 66.2947 31.2243 177.9012 131 N 4.2848 8.1215 115.5395 56.6315 38.4003 176.9808 132 D 4.4298 7.9135 120.2126 57.3205 40.8381 178.8421 133 I 3.5950 8.2071 120.7997 64.2969 36.8473 178.4883 134 I 3.5726 7.7388 119.8201 64.6866 37.0569 177.5206 135 H 4.2612 7.9415 117.4694 59.4339 29.8529 177.0446 136 I 3.8292 7.8885 121.5261 64.0299 37.0051 179.4903 137 L 4.2434 8.0191 119.7378 54.5948 41.0974 179.2330 *139 A 4.1742 8.0088 123.2101 52.2290 20.4685 179.5598 140 E 3.8355 8.3158 115.6401 59.1289 29.6647 177.8479 141 G 3.8723 7.8771 104.7473 44.5579 0.0000 173.7753 142 G 3.8007 7.7025 107.1737 46.4345 0.0000 173.8876 143 Q 4.1695 8.0808 125.7540 55.7214 29.1906 175.0368 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 5 L 8.17 4.28 0.00 1.69 1.75 0.94 0.55 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 6 T 7.61 4.22 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 7 L 8.56 4.08 0.00 1.99 1.74 0.89 0.40 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 8 N 8.13 4.67 0.00 2.82 2.83 0.00 0.00 7.32 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 9 V 7.46 3.65 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 0.89 0.00 0.00 0.95 0.00 0.00 10 L 8.04 4.28 0.00 2.15 1.99 1.08 0.94 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 11 Q 8.36 4.48 0.00 2.38 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.04 0.00 0.00 0.00 0.00 0.00 2.67 2.64 0.00 12 T 7.52 4.52 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 1.32 0.00 0.00 *14 N 7.55 4.60 0.00 2.98 3.14 0.00 0.00 5.97 8.05 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 15 A 8.65 4.02 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.09 3.96 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 17 E 8.20 4.04 0.00 2.17 1.89 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 2.38 2.45 0.00 18 Y 7.97 3.88 0.00 3.15 2.97 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 19 E 8.31 4.08 0.00 2.18 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 0.00 2.51 2.74 0.00 20 D 8.44 4.36 0.00 2.81 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 I 7.28 3.76 1.83 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 1.36 0.51 0.90 0.00 0.00 22 R 7.92 4.02 0.00 1.90 1.95 0.00 3.07 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 23 A 8.06 4.11 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 24 A 7.73 4.16 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 25 G 6.80 4.34 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 0.00 26 S 8.27 4.08 0.00 3.89 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 27 D 7.99 4.33 0.00 2.79 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 28 E 8.06 3.97 0.00 2.22 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 2.39 2.42 0.00 29 R 8.33 3.87 0.00 2.00 2.08 0.00 3.12 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 30 R 8.13 3.98 0.00 2.00 2.03 0.00 3.02 0.00 0.00 2.82 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.25 0.00 31 E 8.17 3.93 0.00 2.19 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 0.00 2.34 2.36 0.00 32 L 7.85 3.97 0.00 1.84 1.90 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.05 3.95 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 1.19 0.00 0.00 34 H 8.26 4.53 0.00 3.33 3.41 0.00 5.68 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.95 4.28 1.47 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 0.00 0.00 36 V 7.69 3.61 2.35 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 0.99 0.00 0.00 1.09 0.00 0.00 *38 R 7.88 4.31 0.00 2.04 2.27 0.00 3.32 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 39 E 8.12 4.33 0.00 2.39 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 2.70 2.67 0.00 40 L 7.72 4.73 0.00 1.80 1.69 1.30 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.28 4.79 0.00 2.54 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.59 4.23 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 43 P 0.00 4.21 0.00 0.96 1.38 0.00 3.39 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.49 0.00 44 D 8.31 4.61 0.00 2.69 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 45 N 9.11 4.48 0.00 3.15 3.04 0.00 0.00 7.07 7.68 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 46 W 8.21 5.10 0.00 3.44 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.35 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 *49 N 8.62 4.80 0.00 2.88 2.99 0.00 0.00 6.67 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 50 G 8.54 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 0.00 0.00 0.00 0.00 51 E 8.39 3.83 0.00 1.85 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 0.00 2.15 2.05 0.00 52 Y 9.33 4.88 0.00 2.90 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 53 G 8.65 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 0.00 0.00 0.00 0.00 54 S 8.89 4.74 0.00 3.81 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 55 E 8.23 3.89 0.00 2.00 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 1.47 1.75 0.00 56 F 8.67 5.12 0.00 3.12 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 57 G 8.50 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 58 G 8.52 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 0.00 0.00 0.00 59 F 7.11 4.19 0.00 1.86 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 F 7.08 5.02 0.00 3.31 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 61 P 0.00 4.40 0.00 2.12 2.41 0.00 3.73 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 2.23 2.41 0.00 62 V 8.04 4.56 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 1.11 0.00 0.00 63 Q 8.73 5.04 0.00 2.43 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.62 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 64 V 8.91 4.83 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 0.41 0.00 0.00 1.01 0.00 0.00 65 R 8.82 4.88 0.00 1.19 1.47 0.00 2.21 0.00 0.00 2.40 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.95 0.00 66 F 9.42 5.29 0.00 3.24 3.34 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 67 T 8.99 4.55 4.08 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 1.01 0.00 0.00 68 P 0.00 3.01 0.00 1.10 0.72 0.00 2.84 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.44 0.00 69 A 7.32 3.86 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 70 H 7.67 4.26 0.00 3.30 3.54 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 E 7.41 3.72 0.00 2.11 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 2.13 2.33 0.00 72 R 7.56 4.11 0.00 2.18 2.10 0.00 3.14 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.51 0.00 73 F 7.18 5.44 0.00 3.10 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 74 H 9.25 5.01 0.00 3.29 3.28 0.00 5.22 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 9.42 5.47 0.00 2.04 1.87 1.50 0.84 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 76 A 8.87 5.22 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 77 L 9.43 4.99 0.00 2.17 1.89 1.16 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 78 C 9.26 5.06 0.00 1.97 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 79 S 8.33 2.79 0.00 2.72 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 80 P 0.00 4.25 0.00 1.56 1.99 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.63 0.00 81 G 7.98 4.01 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 82 D 8.78 4.39 0.00 2.68 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 83 V 7.88 3.76 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 0.82 0.00 0.00 0.91 0.00 0.00 84 S 7.60 4.70 0.00 3.97 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 85 Q 8.82 4.08 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 86 V 7.10 4.65 2.31 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 0.73 0.00 0.00 0.95 0.00 0.00 87 W 9.02 4.32 0.00 3.48 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 88 V 9.06 4.74 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 0.73 0.00 0.00 0.96 0.00 0.00 89 L 9.00 5.16 0.00 1.83 1.51 1.03 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.73 4.73 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 1.07 0.00 0.00 91 L 8.34 5.15 0.00 1.59 1.32 0.71 0.87 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 92 V 8.69 4.67 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 1.03 0.00 0.00 1.16 0.00 0.00 93 N 9.11 4.99 0.00 3.07 2.77 0.00 0.00 6.66 7.33 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 94 A 8.52 4.26 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 95 G 8.72 3.88 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 0.00 0.00 0.00 96 G 9.42 4.01 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 97 E 7.55 4.69 0.00 1.91 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 2.23 2.26 0.00 98 P 0.00 4.71 0.00 2.15 2.26 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 99 F 8.45 5.40 0.00 3.13 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 0.00 100 A 7.28 4.29 1.07 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 0.00 0.00 101 V 8.13 3.92 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 0.85 0.00 0.00 0.96 0.00 0.00 102 V 8.57 4.17 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 0.68 0.00 0.00 0.95 0.00 0.00 103 Q 7.54 4.65 0.00 2.04 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.51 0.00 104 V 8.47 5.06 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 0.80 0.00 0.00 0.95 0.00 0.00 105 Q 9.12 4.55 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.82 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 106 R 9.09 3.99 0.00 1.82 2.02 0.00 3.21 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 107 R 7.69 4.84 0.00 1.86 1.88 0.00 3.36 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.66 0.00 108 F 9.28 3.42 0.00 2.77 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 0.00 109 A 8.29 4.19 1.07 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 0.00 0.00 110 S 7.28 3.30 0.00 3.96 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 0.00 111 E 7.84 3.84 0.00 1.93 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 2.29 2.25 0.00 112 A 7.68 3.89 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 0.00 113 V 7.32 3.34 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 0.85 0.00 0.00 0.87 0.00 0.00 114 S 7.74 3.89 0.00 3.89 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 H 8.08 4.03 0.00 3.38 3.24 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 0.00 116 S 7.88 4.09 0.00 3.88 3.82 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 0.00 117 L 7.75 3.60 0.00 1.45 1.09 -0.32 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 118 A 7.91 3.68 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 0.00 119 L 8.20 3.75 0.00 1.73 1.76 0.83 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.32 4.01 1.53 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 0.00 0.00 121 A 8.01 4.35 0.99 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 0.00 122 S 8.07 4.22 0.00 4.10 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 0.00 123 L 8.14 4.08 0.00 1.94 1.70 0.75 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.59 4.52 0.00 3.36 3.21 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 0.00 125 T 8.36 4.02 4.46 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 1.28 0.00 0.00 126 Q 8.47 4.36 0.00 2.46 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.20 0.00 0.00 0.00 0.00 0.00 2.48 2.56 0.00 127 G 8.07 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 0.00 0.00 0.00 128 Y 8.09 4.11 0.00 3.15 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 0.00 129 S 8.46 4.41 0.00 4.05 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 0.00 130 V 8.26 3.35 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 0.93 0.00 0.00 0.87 0.00 0.00 131 N 8.12 4.28 0.00 2.76 2.85 0.00 0.00 7.13 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 D 7.91 4.43 0.00 2.96 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 0.00 133 I 8.21 3.59 1.82 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 1.49 0.88 0.80 0.00 0.00 134 I 7.74 3.57 1.95 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 1.27 0.48 0.84 0.00 0.00 135 H 7.94 4.26 0.00 3.24 3.45 0.00 5.77 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 I 7.89 3.83 1.71 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.45 0.75 0.00 0.00 137 L 8.02 4.24 0.00 1.59 1.60 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 *139 A 8.01 4.17 1.26 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 0.00 0.00 140 E 8.32 3.84 0.00 1.93 2.07 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 2.24 2.33 0.00 141 G 7.88 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 0.00 142 G 7.70 3.80 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 0.00 0.00 0.00 143 Q 8.08 4.17 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.60 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.