NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 3.7902 8.0427 120.8628 55.8267 42.4359 178.6044 5 T 3.6871 7.5987 114.0698 63.2215 66.9755 172.4242 6 E 4.0341 8.1488 121.2494 59.1120 30.2466 178.0046 7 V 3.8273 7.6650 117.8572 66.2682 31.5742 177.1119 8 E 4.0248 8.6059 119.0690 60.0538 29.3298 178.9773 9 T 4.0404 7.6961 111.7343 65.0996 67.0788 175.8489 10 Y 4.1328 7.9013 117.8990 60.9105 38.2081 177.7548 11 V 3.8368 8.3537 119.6538 66.1824 31.6801 178.1787 12 L 4.0793 8.5630 119.2368 57.4958 41.1948 179.4694 13 S 4.2628 7.8729 113.7017 60.3730 62.8942 174.9134 14 I 4.2034 7.2448 114.5387 60.4781 37.6696 175.1577 15 I 4.3148 7.5711 123.1820 59.4341 37.3917 173.9316 16 P 4.4899 0.0000 0.0000 63.4308 32.0034 177.3035 17 S 4.1271 8.0303 114.3420 59.4713 62.2703 173.8272 18 G 4.3092 8.2303 107.7905 44.3422 0.0000 173.3399 19 P 4.2678 0.0000 0.0000 65.1629 31.6443 177.9001 20 L 4.1755 7.9860 118.7878 57.9178 41.8516 178.8916 21 K 3.9638 8.0094 119.0417 59.4028 32.2031 178.5677 22 A 3.9911 7.9681 121.0827 55.2235 18.3519 179.2735 23 E 3.9173 8.8862 117.4541 59.7691 29.5881 179.8887 24 I 3.9541 8.2644 119.5577 64.2920 37.2607 178.1667 25 A 3.9285 8.2705 121.9412 55.2429 18.2667 179.2316 26 Q 3.8339 8.2538 118.1623 59.7026 29.0750 179.1385 27 R 3.8202 7.9138 118.7769 58.9647 29.9380 179.0018 28 L 4.0559 8.4709 119.3279 57.8138 41.5433 179.4745 29 E 3.6377 7.8714 118.7346 59.2557 29.3849 179.5617 30 S 4.1663 7.9481 114.2371 61.1091 63.1493 176.6680 31 V 3.7496 7.8626 123.2720 65.7434 31.1570 177.9202 32 F 4.2453 8.4722 116.3744 60.8366 38.9626 177.5746 33 A 4.3596 8.2617 117.2628 52.1730 18.2243 177.7617 34 G 3.9198 8.2888 105.5800 46.3925 0.0000 175.4605 35 K 4.0629 8.6052 121.3239 57.8643 32.4987 176.9261 36 N 4.6741 7.8468 118.4245 52.4261 39.3822 174.4574 37 T 4.5478 8.3993 118.8161 61.9518 68.6350 174.7991 38 D 4.6251 7.9130 121.6360 53.1699 38.9006 175.6233 39 L 3.9405 8.0057 125.5373 57.7168 42.3582 177.9390 40 E 3.9939 8.1117 117.6143 59.4994 29.6179 178.7832 41 A 4.0047 8.2711 120.2572 55.1572 18.3165 179.3481 42 L 3.8260 7.8671 118.6046 58.6118 42.2273 179.0884 43 M 4.3317 8.7114 119.1769 58.6167 31.7987 178.6530 44 E 3.9863 8.5199 118.8320 58.9405 29.3746 179.1360 45 W 4.0918 8.1523 127.4739 60.4213 31.1286 177.2993 46 L 3.9006 8.7087 120.6031 58.2042 41.3658 178.7356 47 K 3.0494 8.0652 118.6660 58.8334 31.8707 177.6714 48 T 4.2420 6.8544 107.3064 60.5005 69.3991 174.7577 49 R 3.7607 6.9732 121.4122 55.4487 30.6183 175.1053 50 P 4.4532 0.0000 0.0000 62.7196 33.2995 175.3212 51 I 3.6326 8.5115 122.5509 62.1611 35.2139 174.7030 52 L 4.0569 7.6339 118.5497 54.4920 42.0758 178.0415 53 S 4.3305 8.5219 118.5462 57.6628 65.0343 173.4121 54 P 4.2637 0.0000 0.0000 65.8733 31.1215 178.6172 55 L 3.9201 7.9043 118.4555 58.6069 41.9551 179.1150 56 T 3.9271 7.6811 115.4359 66.4335 68.3841 176.8792 57 K 4.1442 8.3363 120.6832 59.5525 32.1021 179.6215 58 G 3.5446 8.3166 105.9837 47.6959 0.0000 175.9247 59 I 3.6981 7.8546 122.1276 64.1185 37.0977 178.5439 60 L 3.9077 8.2174 120.1136 57.6393 41.3755 179.6294 61 G 3.8332 8.7142 106.0634 47.8266 0.0000 175.4101 62 F 4.0113 8.2428 122.9156 61.0120 39.4276 177.1270 63 V 3.4732 8.0508 118.0569 66.2043 31.0164 177.9983 64 F 4.7137 8.0730 117.5872 60.6508 38.9025 177.4924 65 T 4.0687 8.1257 114.2137 66.3999 68.2150 176.2128 66 L 3.8976 7.4321 121.8784 58.2353 42.3685 178.7948 67 T 4.1303 8.3850 109.4529 63.1273 69.2140 174.3317 *77 R 4.2022 7.4270 120.6394 55.7715 31.5511 176.2228 78 R 3.9816 8.7791 122.5722 59.4991 30.0721 178.7178 79 F 4.2773 8.4378 113.9565 59.5354 37.7759 177.6376 80 V 3.1332 6.7205 118.4952 65.6825 31.4251 177.6465 81 Q 4.0109 7.9547 117.7197 59.3305 28.3897 178.9594 82 N 4.3656 8.3041 116.1108 56.0031 38.6201 177.1687 83 A 4.1241 7.5290 121.3534 55.2706 18.6158 179.4296 84 L 3.9306 7.7705 116.3218 56.8932 42.0601 178.1109 85 N 4.3422 7.3785 115.5485 53.0492 38.8358 174.0805 *89 D 4.5789 8.0239 120.6704 53.9042 43.6807 175.6519 90 P 4.3414 0.0000 0.0000 65.5196 31.5468 178.4604 91 N 4.3298 8.1540 114.9246 56.5782 38.4349 176.9927 92 N 4.3821 8.0338 117.2159 56.5378 38.6516 177.3076 93 M 4.0191 8.4537 120.6724 58.1542 32.1125 178.3012 94 D 4.2642 8.6634 118.5096 57.5210 41.4638 178.4282 95 R 4.0340 8.1762 118.3534 59.2261 29.9921 178.7078 96 A 3.8373 8.2188 120.7284 55.3114 18.3196 179.8163 97 V 3.5490 7.7324 116.5138 66.1789 31.4070 178.4256 98 K 4.0402 7.9756 118.0578 59.3118 31.8370 179.1544 99 L 3.6956 8.1253 121.1724 58.0270 41.8898 178.3659 100 Y 4.0329 8.3100 119.9337 60.4455 38.4729 177.8632 101 K 3.7475 8.0295 118.6334 59.6397 32.4367 179.0334 102 K 4.1031 7.5225 116.8769 59.5401 31.9933 179.5863 103 L 3.9283 8.0030 119.1828 57.4992 41.2414 179.6240 104 K 3.8597 7.7084 117.6136 58.3850 31.8906 178.3748 105 R 4.4956 7.6612 116.3540 54.7016 30.6069 175.2871 106 E 4.5539 7.6500 119.7518 54.8329 30.7744 175.6675 107 I 4.2488 8.4017 123.0676 60.9705 39.8467 175.0918 108 T 4.7134 7.4294 109.5685 59.6022 71.3976 175.1717 109 F 4.3256 8.8381 123.9871 62.0801 39.5046 177.1934 110 H 4.1144 8.3885 115.5255 58.5102 28.6975 177.7033 111 G 3.6915 8.0829 107.2466 47.8772 0.0000 175.5232 112 A 3.9388 7.7099 123.0133 54.5821 18.4901 179.6023 113 K 3.7894 8.0060 118.5287 59.7096 31.9763 178.8968 114 E 3.9438 8.2572 118.0817 59.2554 29.7042 179.2341 115 V 3.7780 7.6907 118.0087 66.2199 31.5640 178.3511 116 S 4.2560 8.1535 114.8945 61.5016 62.4358 176.4690 117 L 4.0723 7.7313 120.5894 56.8032 41.3941 178.5620 118 S 4.4015 7.8644 112.5656 58.2354 63.6019 173.2503 119 Y 4.6364 7.3801 120.4436 56.1012 40.5212 176.0903 120 S 4.4961 8.3339 116.4344 58.1388 65.5128 175.1304 121 T 3.9327 8.6164 120.0458 67.1514 68.2123 176.8543 122 G 3.5712 8.0978 106.5572 47.7571 0.0000 175.4655 123 A 4.1863 7.6161 121.8835 54.8249 18.3538 179.7464 124 L 3.7875 8.2178 117.5596 57.7302 41.6587 179.5911 125 A 3.8150 8.1257 120.8257 55.3819 18.3202 179.8760 126 S 3.9891 7.8962 113.5871 61.8372 62.8226 176.5980 127 C 4.0148 8.1678 121.6748 62.6014 31.1778 175.5101 128 M 3.7083 8.0994 120.6662 57.9119 31.0306 178.9120 129 G 3.5747 7.9492 105.9548 47.7659 0.0000 175.5588 130 L 3.9137 7.6812 120.5402 57.7109 41.8844 179.5789 131 I 3.9923 7.7784 119.5581 64.4294 36.8566 177.8487 132 Y 4.3782 8.4735 119.8300 60.1425 38.6989 176.8952 133 N 4.6421 7.7470 114.7687 53.2239 40.3757 175.0940 134 R 4.6872 8.1744 120.0618 54.9981 31.1313 175.3437 135 M 4.2101 7.7308 117.3382 56.8740 32.8188 177.6116 136 G 4.0854 9.0745 111.5016 45.5133 0.0000 174.2569 137 T 4.2638 7.5394 108.5985 62.7866 69.5555 175.3315 138 V 4.5010 7.4254 113.9966 58.6315 35.5063 175.8083 139 T 4.1861 8.1574 112.7817 61.8725 70.7633 175.7097 140 T 3.9084 8.4205 118.2758 66.8096 68.3967 176.8213 141 E 4.2404 8.3156 119.9534 59.3427 29.5792 179.0192 142 A 3.9959 7.9798 120.4705 55.1769 18.5050 179.5345 143 A 4.0749 8.2448 119.3057 55.3914 18.3654 179.8485 144 F 4.3707 8.8496 116.9060 60.7140 39.0244 178.0036 145 G 3.1604 8.6522 105.6065 47.6144 0.0000 175.4557 146 L 3.8852 7.9771 122.7642 57.7221 42.0777 179.0646 147 V 3.5622 7.9025 118.2330 66.2397 31.4800 177.4646 148 C 4.0417 8.4639 118.2523 62.4676 31.3102 175.4626 149 A 3.8118 7.8561 122.2387 55.2894 17.9230 179.6090 150 T 3.7602 7.9622 114.3349 67.1296 68.5386 176.5967 151 C 4.1656 8.2079 118.5276 62.7135 28.1490 175.8087 152 E 4.0779 8.2022 120.8709 59.5009 29.0134 178.9106 153 Q 4.0252 8.0778 116.9999 58.9370 28.8210 178.5469 154 I 3.8438 7.7588 119.6392 64.4687 37.5717 178.0453 155 A 4.2348 8.4840 121.9101 55.0413 17.8682 178.3999 156 D 4.6669 7.8337 115.6922 54.2608 41.3098 176.7621 157 S 4.1905 7.9344 120.4906 58.9677 63.0333 174.0835 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 L 8.04 3.79 0.00 1.19 0.43 0.39 -0.72 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 5 T 7.60 3.69 4.21 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 1.14 0.00 0.00 6 E 8.15 4.03 0.00 1.97 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.66 0.00 7 V 7.66 3.83 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 1.35 0.00 0.00 1.23 0.00 0.00 8 E 8.61 4.02 0.00 2.38 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 2.34 2.36 0.00 9 T 7.70 4.04 4.18 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 1.21 0.00 0.00 10 Y 7.90 4.13 0.00 3.31 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 11 V 8.35 3.84 2.30 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 1.05 0.00 0.00 1.15 0.00 0.00 12 L 8.56 4.08 0.00 1.70 1.72 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 13 S 7.87 4.26 0.00 3.99 4.15 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 14 I 7.24 4.20 1.90 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 1.60 0.69 0.97 0.00 0.00 15 I 7.57 4.31 2.05 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.80 0.96 0.00 0.00 16 P 0.00 4.49 0.00 2.18 2.17 0.00 3.79 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 17 S 8.03 4.13 0.00 3.88 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 18 G 8.23 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 0.00 0.00 0.00 0.00 19 P 0.00 4.27 0.00 2.21 2.14 0.00 3.63 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 2.13 2.15 0.00 20 L 7.99 4.18 0.00 1.79 1.71 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.01 3.96 0.00 1.94 1.96 0.00 1.88 0.00 0.00 2.02 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.60 7.81 22 A 7.97 3.99 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 23 E 8.89 3.92 0.00 2.42 2.27 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 2.44 2.70 0.00 24 I 8.26 3.95 2.21 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 1.91 1.04 1.03 0.00 0.00 25 A 8.27 3.93 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 26 Q 8.25 3.83 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 27 R 7.91 3.82 0.00 1.85 1.68 0.00 2.21 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.36 0.00 28 L 8.47 4.06 0.00 1.47 0.89 0.86 0.72 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 29 E 7.87 3.64 0.00 2.06 1.94 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 2.22 2.28 0.00 30 S 7.95 4.17 0.00 4.04 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 31 V 7.86 3.75 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 1.24 0.00 0.00 0.91 0.00 0.00 32 F 8.47 4.25 0.00 3.12 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 33 A 8.26 4.36 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 34 G 8.29 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 35 K 8.61 4.06 0.00 1.90 1.85 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.37 7.81 36 N 7.85 4.67 0.00 2.64 2.62 0.00 0.00 6.63 7.22 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 37 T 8.40 4.55 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 1.20 0.00 0.00 38 D 7.91 4.63 0.00 2.75 2.49 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 0.00 39 L 8.01 3.94 0.00 1.81 1.68 0.99 0.99 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 40 E 8.11 3.99 0.00 2.03 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 2.43 2.35 0.00 41 A 8.27 4.00 1.37 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 42 L 7.87 3.83 0.00 1.71 1.75 0.42 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 43 M 8.71 4.33 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.97 0.00 44 E 8.52 3.99 0.00 2.03 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 2.75 2.49 0.00 45 W 8.15 4.09 0.00 3.32 3.41 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 46 L 8.71 3.90 0.00 2.17 2.09 1.14 0.86 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 47 K 8.07 3.05 0.00 0.79 1.58 0.00 1.39 0.00 0.00 1.54 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.09 0.77 7.81 48 T 6.85 4.24 4.10 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 1.09 0.00 0.00 49 R 6.97 3.76 0.00 1.64 1.60 0.00 2.21 0.00 0.00 2.63 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.74 0.00 50 P 0.00 4.45 0.00 2.12 2.02 0.00 3.68 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 1.91 1.91 0.00 51 I 8.51 3.63 1.84 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 1.39 0.38 0.90 0.00 0.00 52 L 7.63 4.06 0.00 1.61 1.62 0.91 0.88 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 53 S 8.52 4.33 0.00 4.04 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 54 P 0.00 4.26 0.00 2.18 2.18 0.00 3.61 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 55 L 7.90 3.92 0.00 1.69 1.65 0.90 0.79 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 56 T 7.68 3.93 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 1.23 0.00 0.00 57 K 8.34 4.14 0.00 2.10 2.11 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.49 7.81 58 G 8.32 3.54 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 0.00 0.00 0.00 59 I 7.85 3.70 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.68 0.92 0.00 0.00 60 L 8.22 3.91 0.00 1.96 1.69 1.04 0.58 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 61 G 8.71 3.83 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 0.00 0.00 0.00 62 F 8.24 4.01 0.00 2.97 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 63 V 8.05 3.47 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 1.13 0.00 0.00 1.08 0.00 0.00 64 F 8.07 4.71 0.00 3.29 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 65 T 8.13 4.07 4.40 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 1.23 0.00 0.00 66 L 7.43 3.90 0.00 1.47 1.56 0.50 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.39 4.13 4.64 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 1.78 0.00 0.00 *77 R 7.43 4.20 0.00 1.80 1.93 0.00 3.50 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.84 0.00 78 R 8.78 3.98 0.00 2.00 2.04 0.00 3.42 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.80 0.00 79 F 8.44 4.28 0.00 3.28 3.26 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 80 V 6.72 3.13 1.66 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 0.18 0.00 0.00 -0.12 0.00 0.00 81 Q 7.95 4.01 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.62 2.75 0.00 82 N 8.30 4.37 0.00 2.76 2.89 0.00 0.00 7.07 7.43 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 83 A 7.53 4.12 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 84 L 7.77 3.93 0.00 1.50 1.78 0.58 1.07 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 85 N 7.38 4.34 0.00 2.84 2.72 0.00 0.00 6.94 8.12 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 *89 D 8.02 4.58 0.00 2.69 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.34 0.00 2.19 2.08 0.00 3.66 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 91 N 8.15 4.33 0.00 2.73 2.88 0.00 0.00 7.16 6.92 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 92 N 8.03 4.38 0.00 2.89 2.96 0.00 0.00 7.12 7.66 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 93 M 8.45 4.02 0.00 1.99 2.27 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.51 0.00 94 D 8.66 4.26 0.00 2.66 2.87 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 95 R 8.18 4.03 0.00 1.98 2.20 0.00 3.25 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 1.76 1.73 0.00 96 A 8.22 3.84 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 97 V 7.73 3.55 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 1.07 0.00 0.00 0.91 0.00 0.00 98 K 7.98 4.04 0.00 2.19 1.98 0.00 1.82 0.00 0.00 1.65 0.00 0.00 3.28 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.71 7.81 99 L 8.13 3.70 0.00 0.27 1.36 0.69 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 8.31 4.03 0.00 3.04 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 0.00 101 K 8.03 3.75 0.00 2.00 1.87 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.57 7.81 102 K 7.52 4.10 0.00 2.01 1.85 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.61 7.81 103 L 8.00 3.93 0.00 1.58 1.66 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 104 K 7.71 3.86 0.00 1.66 1.69 0.00 1.07 0.00 0.00 1.40 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.03 0.73 7.81 105 R 7.66 4.50 0.00 1.87 1.90 0.00 3.12 0.00 0.00 3.20 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 106 E 7.65 4.55 0.00 2.05 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 0.00 2.46 2.34 0.00 107 I 8.40 4.25 1.88 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 1.48 1.12 0.93 0.00 0.00 108 T 7.43 4.71 4.33 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 1.25 0.00 0.00 109 F 8.84 4.33 0.00 3.11 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 0.00 110 H 8.39 4.11 0.00 3.27 3.34 0.00 5.69 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.08 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 0.00 112 A 7.71 3.94 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 0.00 113 K 8.01 3.79 0.00 1.11 1.58 0.00 1.23 0.00 0.00 1.46 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.24 1.18 7.81 114 E 8.26 3.94 0.00 1.94 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 0.00 2.33 2.47 0.00 115 V 7.69 3.78 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 1.14 0.00 0.00 1.03 0.00 0.00 116 S 8.15 4.26 0.00 4.00 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 0.00 117 L 7.73 4.07 0.00 1.78 1.72 0.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 118 S 7.86 4.40 0.00 3.89 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 0.00 119 Y 7.38 4.64 0.00 3.03 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 0.00 120 S 8.33 4.50 0.00 4.06 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 0.00 121 T 8.62 3.93 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 1.19 0.00 0.00 122 G 8.10 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 A 7.62 4.19 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 0.00 124 L 8.22 3.79 0.00 1.80 1.64 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.13 3.81 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 0.00 126 S 7.90 3.99 0.00 4.02 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 0.00 127 C 8.17 4.01 0.00 2.95 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 0.00 128 M 8.10 3.71 0.00 1.00 1.79 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 1.81 0.00 129 G 7.95 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 L 7.68 3.91 0.00 1.59 1.33 0.64 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 131 I 7.78 3.99 2.10 0.00 0.00 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 1.69 0.93 1.16 0.00 0.00 132 Y 8.47 4.38 0.00 3.30 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 0.00 133 N 7.75 4.64 0.00 2.81 2.80 0.00 0.00 6.75 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 0.00 134 R 8.17 4.69 0.00 1.79 1.84 0.00 2.90 0.00 0.00 3.12 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 135 M 7.73 4.21 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 136 G 9.07 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 0.00 137 T 7.54 4.26 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 1.31 0.00 0.00 138 V 7.43 4.50 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 0.75 0.00 0.00 1.01 0.00 0.00 139 T 8.16 4.19 4.42 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 1.22 0.00 0.00 140 T 8.42 3.91 4.39 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 141 E 8.32 4.24 0.00 2.15 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 0.00 2.46 2.50 0.00 142 A 7.98 4.00 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 0.00 143 A 8.24 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 0.00 144 F 8.85 4.37 0.00 3.41 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 0.00 145 G 8.65 3.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 7.98 3.89 0.00 1.75 1.85 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 147 V 7.90 3.56 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 1.16 0.00 0.00 1.23 0.00 0.00 148 C 8.46 4.04 0.00 3.37 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 0.00 149 A 7.86 3.81 1.32 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 0.00 0.00 150 T 7.96 3.76 4.33 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 1.15 0.00 0.00 151 C 8.21 4.17 0.00 3.18 3.28 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 0.00 152 E 8.20 4.08 0.00 1.73 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 2.34 2.53 0.00 153 Q 8.08 4.03 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 154 I 7.76 3.84 2.03 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 1.46 0.64 0.93 0.00 0.00 155 A 8.48 4.23 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 0.00 156 D 7.83 4.67 0.00 2.81 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 0.00 157 S 7.93 4.19 0.00 3.97 3.78 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 * Residues marked with a * may have inaccurate shift predictions.