NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 Q 4.1995 8.2033 121.9737 55.8047 30.9237 173.6250 5 K 4.4987 8.2862 126.3701 55.4811 33.7285 174.1501 6 Y 5.2217 9.9711 123.3393 56.1227 42.3272 174.2514 7 L 5.1939 8.7768 122.4008 53.1974 44.5751 175.5679 8 F 4.9490 9.5668 124.2985 56.2600 40.4917 174.9812 9 I 5.0881 8.8558 125.9161 59.1456 39.7109 175.4049 10 D 5.0618 8.9689 127.0698 54.3487 41.7087 175.2497 11 R 4.2105 8.7041 121.8546 58.2514 31.1399 175.5212 12 D 4.6030 7.8027 117.9407 55.4550 41.3114 177.1009 13 G 4.0873 9.5220 113.1273 45.9889 0.0000 172.9898 14 T 3.9839 7.3422 113.5111 64.8705 71.3497 176.1594 15 L 4.2295 8.5181 121.1108 56.9376 42.3770 177.0035 16 I 5.1304 7.2266 110.0151 58.5128 41.3935 175.1837 17 S 4.6954 9.0429 118.3160 58.5368 63.9080 173.0411 18 E 4.6482 8.5206 122.2491 53.6661 31.3058 173.8487 19 P 4.2497 0.0000 0.0000 62.1786 31.7278 175.6281 20 P 4.1472 0.0000 0.0000 64.8501 31.5667 177.8957 21 S 4.0043 7.5895 114.0660 60.4979 63.2513 174.4610 22 D 4.5727 7.0570 117.5615 50.9052 40.1062 175.3192 23 F 3.9460 7.2451 116.4967 58.7541 37.0376 174.7888 24 Q 4.2566 7.9310 118.7635 54.0978 30.7057 176.8536 25 V 3.9224 8.3018 124.5572 61.5147 29.9235 174.5887 26 D 5.2955 7.9578 118.1816 51.4888 40.4585 176.8113 27 R 4.7029 7.3666 117.5867 54.6243 34.4996 176.0938 28 F 4.1238 8.8231 118.9661 60.5156 39.0954 176.7753 29 D 4.7407 8.2260 117.3164 54.0742 39.3622 176.5609 30 K 4.3892 7.9025 118.2267 56.1173 32.9325 175.4599 31 L 4.3270 7.7021 121.6772 53.6582 42.9444 175.6880 32 A 4.7344 8.0820 126.9942 50.6219 22.4872 175.1441 33 F 4.5371 9.1390 122.1273 57.3077 39.6275 175.5356 34 E 4.4373 9.0883 122.3587 55.4852 30.8313 174.9368 35 P 4.3779 0.0000 0.0000 64.1486 31.9870 177.2023 36 G 4.0555 9.1315 110.4599 46.0403 0.0000 175.3484 37 V 2.7170 7.5181 121.0574 64.7476 31.0171 178.3436 38 I 3.7402 7.6328 120.0425 63.5533 37.1065 176.3738 39 P 4.2631 0.0000 0.0000 66.1759 30.8883 178.3846 40 Q 4.0432 8.1109 117.7551 58.6332 28.6280 178.4563 41 L 3.8285 7.9166 120.2476 57.5412 41.5261 179.5169 42 L 3.9184 7.9178 119.1066 57.4976 41.4104 179.3847 43 K 3.9222 8.1635 119.5751 59.5777 32.3002 178.8480 44 L 4.1122 8.0569 119.2232 57.9390 41.5263 179.5204 45 Q 4.3660 8.1661 119.3963 58.5041 28.4443 179.1114 46 K 4.0284 8.1201 118.0505 58.8089 32.1341 178.3171 47 A 4.3729 7.4792 118.7722 51.9743 18.8946 177.7951 48 G 3.9117 7.8397 105.2613 44.8591 0.0000 173.8539 49 Y 4.3330 8.0018 118.2432 57.7810 39.0831 175.2098 50 K 4.4775 8.5015 122.7159 55.0827 34.9990 175.3381 51 L 5.1162 8.2185 121.3684 53.0047 45.1685 175.6661 52 V 4.8801 8.6684 122.2641 61.4246 35.0422 173.6987 53 M 4.8898 9.0663 128.1084 54.5960 34.2185 174.5871 54 I 5.1180 8.8548 125.6553 59.6980 41.6135 173.6631 55 T 4.9198 8.8831 123.3801 60.7015 71.2516 171.9582 56 N 5.1035 8.7829 125.5791 52.6904 39.9970 175.5113 57 Q 4.6600 9.3802 123.0682 52.9691 29.7021 172.6515 58 D 4.9750 7.9817 119.0405 55.1696 41.6545 177.3301 59 G 3.9872 9.0452 111.2664 45.8598 0.0000 172.5939 60 L 3.7973 7.6206 121.8606 56.4808 42.0649 177.4854 61 G 3.8160 8.8694 114.9876 45.2186 0.0000 172.4827 62 T 4.6167 7.5105 109.8392 59.0625 71.3123 175.1937 63 Q 4.0941 8.5340 119.0506 58.7475 28.8269 177.8819 64 S 4.3202 7.9535 113.6972 60.8340 63.8003 173.8472 65 F 5.4491 8.1541 121.4794 56.5012 41.3043 170.5999 66 P 4.5604 0.0000 0.0000 62.3880 32.5872 177.1116 67 Q 3.7872 9.0108 123.0976 59.6853 28.9231 179.2156 68 A 4.0722 8.0022 120.7837 55.2808 17.8796 179.2061 69 D 4.4655 8.1413 117.2483 57.3738 40.9187 178.7381 70 F 4.2602 8.1306 120.8762 61.2191 39.4341 176.8779 71 D 4.4527 8.4325 118.8139 57.4583 40.6149 178.4753 72 G 3.6189 7.5922 104.8424 47.6150 0.0000 173.7834 73 P 3.8469 0.0000 0.0000 64.7857 31.3854 178.3385 74 H 3.7865 7.6399 116.9166 59.2669 29.5834 177.1405 75 N 4.3124 8.4672 118.7197 55.9509 38.2320 177.2312 76 L 3.9625 7.9931 121.8570 58.3234 42.2966 178.3365 77 M 4.0422 8.1234 118.3792 59.3796 31.9826 178.1833 78 M 4.3314 8.3284 118.7976 58.4282 32.0088 178.5572 79 Q 4.0040 8.4780 120.0906 59.0822 29.1907 178.3763 80 I 3.5893 8.0485 121.0162 64.4208 37.0846 178.0713 81 F 4.3907 8.1000 118.3634 61.1875 38.8453 177.7333 82 T 3.9658 8.4931 115.4832 66.9831 68.1752 176.9063 83 S 4.2127 8.1671 114.4344 61.0627 63.0653 175.5350 84 Q 4.3353 7.9039 119.2732 55.8104 28.8772 176.4496 85 G 3.9268 7.9365 108.7877 45.0029 0.0000 173.4093 86 V 4.0134 7.9078 120.2733 61.4445 31.9278 175.2342 87 Q 4.5183 9.1131 127.0400 54.0255 30.5593 175.1051 88 F 4.5633 8.7187 122.4789 56.3276 40.0225 175.2790 89 D 4.7510 9.2215 127.1548 57.2883 41.1194 176.9444 90 E 4.8534 8.2704 115.4768 54.5790 34.5824 174.8488 91 V 4.5813 8.5224 121.6974 61.4309 33.6212 174.5104 92 L 4.7237 9.0995 129.6098 53.2100 43.5044 175.8613 93 I 4.9629 8.2944 124.3334 59.5287 40.3622 174.3946 94 C 4.5424 8.8268 127.9968 57.4575 32.7999 171.6669 95 P 4.8751 0.0000 0.0000 63.1949 32.3939 175.5596 96 H 4.9437 7.8481 118.0469 55.1708 30.0987 174.7022 97 L 4.4892 8.8201 121.9274 53.7787 42.6853 176.5610 98 P 4.2340 0.0000 0.0000 66.0371 31.0643 178.8015 99 A 4.1554 7.9124 116.8527 54.4761 18.3840 178.7684 100 D 4.3258 7.9985 116.8717 54.9333 41.6878 176.0156 101 E 3.7237 7.8869 118.2281 57.2681 27.4846 173.9174 102 C 4.3861 7.5589 111.7575 57.6349 31.1686 173.6642 103 D 4.5033 8.4324 119.2079 55.9147 40.6781 177.1625 104 C 4.5567 7.7341 111.6248 57.6869 31.1471 173.8872 105 R 4.1431 7.7658 122.6358 55.7486 30.1657 175.6169 106 K 4.2825 8.7700 125.6499 56.6720 32.5119 174.7180 107 P 4.6914 0.0000 0.0000 62.5831 31.5190 176.3065 108 K 4.1238 7.8175 118.1949 57.3748 32.5228 177.9009 109 V 4.1570 8.0674 113.0446 60.9490 32.0342 177.7316 110 K 3.8015 7.9639 121.3127 59.9692 31.6882 178.3411 111 L 4.1340 7.9891 116.7751 56.9628 41.7511 178.7889 112 V 4.5943 7.5694 110.9655 61.1108 31.9679 177.3478 113 E 3.9921 8.1312 121.3249 59.6632 28.9083 179.1176 114 R 3.8207 7.8936 118.6863 59.2355 30.2829 176.8558 115 Y 4.1656 7.9011 113.9463 59.6012 38.5582 176.2953 116 L 4.3378 7.4185 122.2412 53.2149 40.3988 175.7532 *120 A 4.4914 7.7219 123.1229 51.9366 20.8941 176.8497 121 M 5.0366 7.6324 109.3512 53.9812 34.2791 174.3880 122 D 4.6457 8.9886 120.0261 53.1848 40.2016 177.0937 123 R 4.0037 8.5107 126.3577 58.8416 30.4651 178.5793 124 A 4.0976 8.1928 119.8789 54.4779 18.5141 177.4909 125 N 5.1698 8.0749 111.1018 53.1183 39.7328 174.8847 126 S 5.4184 8.0299 114.6582 57.3642 66.5054 172.6792 127 Y 5.0756 9.0905 118.6740 56.6346 42.8688 174.1740 128 V 4.8530 8.9059 122.5023 61.9612 33.6726 174.6375 129 I 4.9739 9.0823 128.9461 59.8461 39.5952 174.9111 130 G 4.6875 8.7912 113.1892 45.2748 0.0000 173.0865 131 D 5.0876 8.8585 117.8244 52.7810 40.5410 176.4819 132 R 4.6639 8.0500 119.0706 53.8333 33.1616 176.4338 133 A 4.0386 8.6225 121.6029 55.8897 18.0609 180.3089 134 T 3.8048 7.8608 107.5926 64.9760 68.8032 176.4348 135 D 4.3495 8.0917 121.9335 57.2314 40.8288 178.7277 136 I 3.7754 7.6748 119.9954 64.3133 37.0954 178.1071 137 Q 3.9562 8.3978 120.7963 58.8356 28.8772 177.7932 138 L 4.0096 8.1731 121.4506 58.1086 42.0940 178.7670 139 A 3.9463 7.9465 120.5746 55.2031 18.4425 179.1593 140 E 3.8577 8.1034 117.6846 59.6757 29.5201 178.8935 141 N 4.3890 8.2428 115.3037 56.0552 38.6484 176.4930 142 M 4.2698 7.8865 118.0665 54.7701 32.3642 176.6660 143 G 3.8482 7.7552 107.0312 46.2441 0.0000 172.8376 144 I 4.6757 7.5000 112.3522 58.3001 41.0911 174.3950 145 N 4.5969 8.2728 118.8981 53.0942 39.6161 174.8489 146 G 4.4750 8.6648 108.6319 44.4234 0.0000 172.2970 147 L 4.7924 9.0959 124.3377 52.7852 44.6896 175.8116 148 R 4.4575 8.6180 125.4072 54.8221 29.7320 174.7951 149 Y 4.1494 8.5857 128.5592 57.8900 40.1760 174.7943 150 D 4.4037 7.8718 124.9215 52.1853 44.5212 175.9453 151 R 3.6322 8.3842 126.5168 58.7179 30.4597 176.5933 152 E 4.3066 8.2745 116.9189 57.8094 30.4869 176.6640 153 T 4.2190 7.9174 106.4620 62.8036 69.8436 175.2451 154 L 4.3727 7.4874 124.2584 52.8064 43.1823 174.0331 155 N 4.6474 7.7303 122.5583 50.3233 41.1188 175.6597 156 W 4.3518 8.7127 119.0860 59.6980 29.0954 176.6185 157 P 4.5057 0.0000 0.0000 66.1278 30.7332 178.4562 158 M 4.0697 8.5520 117.2618 58.4436 31.7948 178.9304 159 I 3.7012 8.0514 120.1474 64.3245 37.0634 178.5857 160 G 3.8639 8.2288 106.9535 47.1457 0.0000 175.0681 161 E 4.0942 8.2598 121.5131 59.1252 29.4442 178.6287 162 Q 3.9306 8.3833 120.4449 59.0787 29.1823 177.4952 163 L 4.4176 7.9511 114.9475 55.4877 41.8283 177.1529 164 T 4.5966 7.4467 107.8024 60.8332 69.5469 174.5417 165 R 4.0242 7.5555 122.0163 57.0032 30.6421 176.4388 166 R 4.2528 8.3499 122.2301 56.5119 31.0684 175.0840 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 4 Q 8.20 4.20 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.99 0.00 0.00 0.00 0.00 0.00 1.88 1.52 0.00 5 K 8.29 4.50 0.00 1.48 1.85 0.00 1.18 0.00 0.00 1.58 0.00 0.00 2.41 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.37 7.81 6 Y 9.97 5.22 0.00 2.81 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 0.00 0.00 0.00 0.00 7 L 8.78 5.19 0.00 1.52 1.58 0.57 1.09 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 8 F 9.57 4.95 0.00 2.96 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 9 I 8.86 5.09 2.09 0.00 0.00 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 1.31 1.13 1.19 0.00 0.00 10 D 8.97 5.06 0.00 2.84 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 11 R 8.70 4.21 0.00 1.87 1.85 0.00 3.26 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 12 D 7.80 4.60 0.00 2.75 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 13 G 9.52 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 14 T 7.34 3.98 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 1.26 0.00 0.00 15 L 8.52 4.23 0.00 1.84 1.89 0.79 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.23 5.13 1.78 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 1.45 1.07 0.28 0.00 0.00 17 S 9.04 4.70 0.00 3.91 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 18 E 8.52 4.65 0.00 2.06 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 2.50 2.48 0.00 19 P 0.00 4.25 0.00 2.07 1.88 0.00 3.66 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.04 0.00 20 P 0.00 4.15 0.00 2.09 2.16 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.91 0.00 21 S 7.59 4.00 0.00 3.85 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 22 D 7.06 4.57 0.00 2.62 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 7.25 3.95 0.00 3.25 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 7.93 4.26 0.00 1.60 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.30 0.00 0.00 0.00 0.00 0.00 1.92 2.09 0.00 25 V 8.30 3.92 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 0.72 0.00 0.00 0.93 0.00 0.00 26 D 7.96 5.30 0.00 2.91 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 27 R 7.37 4.70 0.00 1.87 1.90 0.00 3.16 0.00 0.00 3.35 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 28 F 8.82 4.12 0.00 3.09 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 29 D 8.23 4.74 0.00 2.82 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.90 4.39 0.00 1.84 1.81 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.32 7.81 31 L 7.70 4.33 0.00 1.54 1.77 0.67 1.02 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 32 A 8.08 4.73 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 33 F 9.14 4.54 0.00 2.87 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 34 E 9.09 4.44 0.00 2.17 2.25 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 2.43 2.59 0.00 35 P 0.00 4.38 0.00 2.21 2.11 0.00 4.06 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 2.16 2.21 0.00 36 G 9.13 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 37 V 7.52 2.72 1.74 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 1.01 0.00 0.00 0.15 0.00 0.00 38 I 7.63 3.74 1.77 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 1.57 0.66 0.86 0.00 0.00 39 P 0.00 4.26 0.00 2.26 2.30 0.00 3.67 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 2.06 0.00 40 Q 8.11 4.04 0.00 2.22 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.66 2.85 0.00 41 L 7.92 3.83 0.00 1.53 1.42 0.53 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.92 3.92 0.00 1.85 1.69 0.96 0.76 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 43 K 8.16 3.92 0.00 1.91 2.01 0.00 1.66 0.00 0.00 1.87 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.51 7.81 44 L 8.06 4.11 0.00 1.80 1.61 0.99 0.47 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 45 Q 8.17 4.37 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 46 K 8.12 4.03 0.00 1.89 1.88 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.63 7.81 47 A 7.48 4.37 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 48 G 7.84 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 0.00 0.00 0.00 49 Y 8.00 4.33 0.00 3.04 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 50 K 8.50 4.48 0.00 1.34 1.71 0.00 1.34 0.00 0.00 1.90 0.00 0.00 2.72 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.34 7.81 51 L 8.22 5.12 0.00 1.02 1.12 0.27 0.52 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 52 V 8.67 4.88 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 0.99 0.00 0.00 0.53 0.00 0.00 53 M 9.07 4.89 0.00 1.89 1.10 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 54 I 8.85 5.12 1.95 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 1.12 1.21 1.01 0.00 0.00 55 T 8.88 4.92 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 1.26 0.00 0.00 56 N 8.78 5.10 0.00 2.65 2.74 0.00 0.00 6.78 7.69 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 57 Q 9.38 4.66 0.00 1.69 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.89 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 58 D 7.98 4.97 0.00 2.71 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 59 G 9.05 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.62 3.80 0.00 1.18 1.31 -0.22 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.87 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 0.00 0.00 0.00 62 T 7.51 4.62 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 1.19 0.00 0.00 63 Q 8.53 4.09 0.00 2.18 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.15 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 64 S 7.95 4.32 0.00 4.05 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 0.00 65 F 8.15 5.45 0.00 3.12 2.91 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 66 P 0.00 4.56 0.00 2.28 2.00 0.00 3.99 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.14 0.00 67 Q 9.01 3.79 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.69 0.00 68 A 8.00 4.07 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 69 D 8.14 4.47 0.00 3.12 3.04 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 70 F 8.13 4.26 0.00 2.43 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.43 4.45 0.00 2.95 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 72 G 7.59 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 3.85 0.00 1.82 1.76 0.00 3.36 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.10 0.00 74 H 7.64 3.79 0.00 1.94 2.68 0.00 5.78 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 75 N 8.47 4.31 0.00 2.84 2.88 0.00 0.00 6.70 6.61 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 76 L 7.99 3.96 0.00 2.01 1.96 0.97 1.12 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 77 M 8.12 4.04 0.00 2.10 1.94 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 1.87 2.50 0.00 78 M 8.33 4.33 0.00 2.11 2.20 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 2.50 2.53 0.00 79 Q 8.48 4.00 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 80 I 8.05 3.59 1.86 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.67 0.34 0.00 0.00 81 F 8.10 4.39 0.00 3.41 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 8.49 3.97 4.36 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 1.26 0.00 0.00 83 S 8.17 4.21 0.00 4.01 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 84 Q 7.90 4.34 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.64 0.00 0.00 0.00 0.00 0.00 2.51 2.39 0.00 85 G 7.94 3.93 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 86 V 7.91 4.01 2.40 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 0.25 0.00 0.00 0.99 0.00 0.00 87 Q 9.11 4.52 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.52 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 88 F 8.72 4.56 0.00 3.00 3.13 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 89 D 9.22 4.75 0.00 2.79 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 90 E 8.27 4.85 0.00 2.01 1.88 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 2.40 2.47 0.00 91 V 8.52 4.58 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 0.84 0.00 0.00 0.89 0.00 0.00 92 L 9.10 4.72 0.00 1.70 1.60 1.13 0.87 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 93 I 8.29 4.96 1.75 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 1.18 0.57 0.69 0.00 0.00 94 C 8.83 4.54 0.00 3.15 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 95 P 0.00 4.88 0.00 2.06 2.03 0.00 3.53 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 1.62 1.78 0.00 96 H 7.85 4.94 0.00 3.27 3.35 0.00 5.81 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.82 4.49 0.00 1.71 1.59 0.94 1.41 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 98 P 0.00 4.23 0.00 2.14 2.10 0.00 3.61 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 99 A 7.91 4.16 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 0.00 100 D 8.00 4.33 0.00 2.84 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 0.00 101 E 7.89 3.72 0.00 2.08 1.95 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 2.24 2.33 0.00 102 C 7.56 4.39 0.00 2.81 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.43 4.50 0.00 2.67 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 C 7.73 4.56 0.00 3.06 3.03 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 0.00 105 R 7.77 4.14 0.00 1.87 1.84 0.00 3.20 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 106 K 8.77 4.28 0.00 1.78 1.73 0.00 1.83 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3.80 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 1.18 0.00 0.00 135 D 8.09 4.35 0.00 2.89 2.79 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 0.00 0.00 0.00 136 I 7.67 3.78 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.86 0.92 0.00 0.00 137 Q 8.40 3.96 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 138 L 8.17 4.01 0.00 1.86 1.85 0.91 0.94 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 0.00 139 A 7.95 3.95 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 0.00 140 E 8.10 3.86 0.00 2.06 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 0.00 2.29 2.34 0.00 141 N 8.24 4.39 0.00 2.82 2.83 0.00 0.00 7.10 8.46 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 0.00 142 M 7.89 4.27 0.00 1.81 2.06 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.32 0.00 143 G 7.76 3.85 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 0.00 0.00 0.00 144 I 7.50 4.68 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.78 1.03 0.00 0.00 145 N 8.27 4.60 0.00 2.09 2.73 0.00 0.00 7.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 G 8.66 4.48 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 0.00 0.00 0.00 147 L 9.10 4.79 0.00 1.75 1.51 1.00 0.29 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 0.00 148 R 8.62 4.46 0.00 1.81 1.85 0.00 3.25 0.00 0.00 3.14 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.77 0.00 149 Y 8.59 4.15 0.00 2.88 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 D 7.87 4.40 0.00 2.56 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 0.00 0.00 0.00 0.00 151 R 8.38 3.63 0.00 1.82 1.92 0.00 3.32 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 152 E 8.27 4.31 0.00 1.91 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 2.17 2.24 0.00 153 T 7.92 4.22 4.17 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 1.15 0.00 0.00 154 L 7.49 4.37 0.00 1.60 1.46 0.87 0.45 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 0.00 155 N 7.73 4.65 0.00 3.07 2.92 0.00 0.00 6.12 8.88 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 0.00 156 W 8.71 4.35 0.00 3.79 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 0.00 157 P 0.00 4.51 0.00 2.21 2.18 0.00 3.94 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 158 M 8.55 4.07 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.57 0.00 159 I 8.05 3.70 1.97 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 1.26 0.55 0.81 0.00 0.00 160 G 8.23 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 0.00 161 E 8.26 4.09 0.00 2.09 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 0.00 2.31 2.33 0.00 162 Q 8.38 3.93 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.18 6.62 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 163 L 7.95 4.42 0.00 1.44 1.40 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 164 T 7.45 4.60 4.30 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 1.39 0.00 0.00 165 R 7.56 4.02 0.00 1.86 2.02 0.00 3.22 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 166 R 8.35 4.25 0.00 1.79 1.76 0.00 3.30 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 1.54 1.74 0.00 * Residues marked with a * may have inaccurate shift predictions.