NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 P 4.1281 0.0000 0.0000 68.0511 32.0925 181.2690 13 K 3.7161 7.2542 116.6039 57.3146 34.3120 175.9162 14 G 3.8859 8.6955 110.9898 48.5032 0.0000 173.3998 15 V 4.3694 7.0792 111.1211 60.3769 34.0736 176.6029 16 S 4.3263 8.8964 117.6486 57.5774 66.5156 174.3333 17 V 4.5160 8.4112 126.6257 61.7852 31.5665 175.0073 18 E 4.4330 8.9572 128.5611 55.5504 31.2715 176.0144 19 V 4.6307 8.3599 122.5434 61.3228 33.9804 174.8744 20 A 4.6067 8.7488 131.6293 49.5142 20.8592 174.8212 21 P 4.1815 0.0000 0.0000 65.8325 31.6122 178.6395 22 G 4.3414 7.7591 103.9731 45.7429 0.0000 171.2066 23 R 5.2427 8.0075 117.0524 54.6235 35.9729 175.4124 24 V 4.6352 8.4134 119.6618 61.5648 34.1062 173.7998 25 K 4.4826 8.9545 128.6003 56.1268 33.6051 176.6829 26 V 4.6961 8.2500 124.5091 60.9748 33.4785 174.7694 27 K 4.5449 9.3138 128.3466 56.3739 33.6311 176.4833 28 G 4.5509 8.0420 108.0069 44.8322 0.0000 170.9673 29 P 4.6298 0.0000 0.0000 62.8746 31.1252 176.5690 30 K 4.3118 7.4660 117.4396 56.7688 33.8855 177.0837 31 G 4.0531 7.1959 105.2093 44.6213 0.0000 169.7735 32 E 5.1099 8.6034 119.4794 54.2891 32.2050 175.9758 33 L 4.7156 8.6110 126.0154 52.7028 44.8980 176.1371 34 E 4.2560 8.9176 123.5838 56.4571 30.9114 177.0161 35 V 4.3463 8.3876 121.6490 60.3027 34.6011 172.8999 36 P 4.3421 0.0000 0.0000 63.3142 30.8179 175.6016 37 V 4.4875 7.9261 124.9777 60.5831 34.0939 175.3613 38 S 4.2920 8.6357 119.3347 57.8514 62.7952 172.8262 39 P 4.3312 0.0000 0.0000 65.3070 31.2559 177.0654 40 E 4.1943 8.5317 118.5845 57.6628 27.4989 174.1679 41 M 3.1667 9.9166 124.5320 55.0690 32.9895 177.7087 42 R 3.4496 7.2836 118.8207 57.7630 28.4089 178.1880 43 V 4.1060 7.0607 118.9199 60.1806 31.2385 178.1325 44 V 3.9208 7.2495 122.5800 62.5449 32.5973 174.4236 45 V 4.3380 8.2293 117.7811 61.0433 33.2046 175.8508 46 E 4.4658 7.9251 122.5278 55.1606 31.6155 176.5022 47 E 3.7614 8.7289 125.5586 56.0687 28.2220 176.0199 48 G 4.1108 8.5551 109.3104 46.3154 0.0000 173.4096 49 V 4.4042 7.9335 112.2271 60.0750 36.1204 173.2641 50 V 4.3927 8.1518 120.4086 61.1299 33.0660 174.5601 51 R 4.7656 8.4233 126.0980 54.2351 33.1528 174.5436 52 V 4.5198 8.0987 119.7688 59.6987 34.1176 174.7336 53 E 4.8377 8.7927 122.0108 54.3864 32.3661 175.4324 54 R 4.7512 8.4014 118.4135 53.9446 32.1733 173.6187 55 P 4.6608 0.0000 0.0000 62.6951 31.9869 174.5182 56 S 4.5603 7.3543 112.1438 58.1490 65.6486 173.2686 57 D 4.9962 8.2480 118.5130 53.7460 41.4222 177.1118 58 E 4.4172 7.7968 118.2103 55.2204 32.1273 176.5191 59 R 3.9114 8.5886 122.0986 60.2627 30.1559 178.8129 60 R 3.8466 8.1137 116.8289 59.4956 29.8122 178.2782 61 H 4.4024 7.9149 114.7101 58.3008 29.2129 177.2849 62 K 3.8710 8.4787 119.1500 59.9662 31.6889 179.1069 63 S 4.2858 8.3498 115.0874 61.7123 62.8231 176.4846 64 L 4.0603 7.5285 120.8573 56.7011 41.3134 176.5232 65 H 4.0369 7.3979 117.2775 58.1286 30.1782 173.6532 66 G 4.3222 9.2644 120.4920 46.3839 0.0000 175.0175 67 L 3.9357 7.5542 120.3988 58.0270 41.8173 179.1749 68 T 3.9703 8.6236 115.4305 67.3447 68.2519 176.9166 69 R 3.7287 7.5969 118.2976 58.2691 30.9573 178.0232 70 T 4.3948 9.2846 117.6954 61.5719 68.4259 180.5412 71 L 3.2998 9.7870 130.4014 56.0689 42.4456 176.6388 72 I 3.4974 5.6769 122.5411 64.6635 37.7294 176.7476 73 A 3.9915 9.2318 122.4668 55.7849 18.2666 179.4987 74 N 4.3700 8.3257 113.7513 55.6629 38.5219 177.5357 75 A 4.0383 8.2280 123.3174 55.1354 18.5708 179.1636 76 V 3.4967 7.7127 116.3113 66.2419 31.5996 178.0936 77 K 3.9948 8.8598 118.7762 59.1411 31.7495 179.4819 78 G 3.6677 7.6135 105.5830 48.0209 0.0000 175.5866 79 V 3.9630 7.4984 112.7261 61.6360 32.8296 177.0412 80 S 4.4095 8.3832 114.8293 57.8451 62.2279 173.9841 81 E 3.8458 8.1021 118.8806 57.5849 26.5932 175.8587 82 G 4.6061 7.6030 104.1961 43.0433 0.0000 169.1087 83 Y 4.1036 8.4306 123.5540 53.9391 40.2241 178.6816 84 S 3.9073 8.4705 116.4154 58.7079 63.5368 166.0521 85 K 3.7553 9.0050 127.0847 55.8589 30.2125 174.2343 86 E 5.0465 8.0096 122.6333 54.5933 32.7994 174.0462 87 L 5.5245 9.8598 119.4233 52.5242 45.8363 176.2174 88 L 4.6434 8.2579 121.2855 54.2334 44.7227 174.7049 89 I 5.3004 8.1931 110.1070 57.2076 40.4441 171.1014 90 K 4.1227 8.5550 125.8039 54.7506 34.3275 175.4989 91 G 3.7643 8.3325 117.3663 46.2101 0.0000 173.1587 92 I 4.6065 7.3619 125.7439 61.1175 39.1805 177.2542 93 G 3.8752 9.4412 119.3297 47.5233 0.0000 173.1029 94 Y 4.6307 8.1128 117.9139 58.3928 38.4310 176.0017 95 R 5.2000 8.4123 119.9949 57.5320 32.9091 173.0037 96 A 5.5408 8.4059 118.3651 51.7458 22.6438 176.7121 97 R 4.3333 8.3264 117.2808 54.1602 33.9392 174.7970 98 L 4.5138 8.6911 127.9395 55.8705 39.8160 176.3471 99 V 3.9255 8.3499 121.8539 61.5284 31.4415 177.7867 100 G 3.9399 7.9830 119.1719 46.5108 0.0000 172.1583 101 R 4.4874 8.9238 119.9069 55.4377 30.1247 174.7876 102 A 4.7130 7.4052 122.6320 50.7404 22.0637 175.2695 103 L 4.9568 7.6879 115.8525 54.9225 46.0467 174.2390 104 E 5.2579 8.7686 123.0170 54.2636 33.3923 174.5665 105 L 5.2517 8.6490 122.1361 53.0659 43.3670 175.8505 106 T 4.0664 8.4166 115.7124 60.3449 69.5198 175.5226 107 V 3.5564 7.4129 122.5284 59.5967 32.0559 176.5877 108 G 4.0556 8.1375 107.2316 45.2616 0.0000 172.7400 109 F 5.0169 7.2874 117.3165 57.0644 40.8512 175.0371 110 S 4.6597 8.6289 115.5935 59.5960 63.3010 173.9165 111 H 4.8398 7.9119 119.8456 53.2743 32.6801 170.9030 112 P 4.1314 0.0000 0.0000 63.2601 31.6328 175.8889 113 V 4.0393 8.1145 121.3643 61.7990 32.3564 175.0134 114 V 4.1202 8.3561 129.3229 62.5775 32.3860 175.0618 115 V 4.2826 8.7530 128.7853 60.7709 33.3752 175.2068 116 E 4.1426 8.7579 128.3978 55.5937 30.1766 174.6963 117 P 4.8276 0.0000 0.0000 59.6441 30.9950 172.8912 118 P 4.4877 0.0000 0.0000 62.6872 31.9549 175.9246 119 E 3.9703 8.6435 120.2495 58.1629 29.5269 177.8442 120 G 4.0125 8.8852 112.3660 45.6207 0.0000 172.6613 121 I 4.5839 7.7486 121.0696 60.4521 38.2767 175.3985 122 T 4.6572 8.8157 124.6260 61.9943 70.6829 173.5880 123 F 4.7821 8.9072 124.5082 55.7139 41.2519 174.8421 124 E 4.7267 9.1103 122.8204 54.5030 33.3692 174.6976 125 V 4.6356 8.4696 124.5584 59.9885 33.3606 172.6452 126 P 4.8557 0.0000 0.0000 62.4219 30.1274 179.9724 127 E 4.1861 9.0675 115.3765 55.4105 30.0168 175.3279 128 P 4.5990 0.0000 0.0000 64.2532 31.6157 178.0091 129 T 4.1258 7.7895 109.3086 63.2567 69.7089 174.8460 130 R 4.7625 7.4668 120.8925 55.0326 31.9573 176.1972 131 V 4.5998 9.0298 123.3924 61.7728 35.2160 173.9027 132 R 4.7989 9.0339 127.0190 54.6200 33.0101 175.5770 133 V 4.3545 8.7589 121.7790 61.2748 33.5438 175.3300 134 S 4.6792 9.2161 125.2360 58.0283 64.8434 173.8088 135 G 4.1028 7.8268 104.6706 45.0514 0.0000 174.3547 136 I 4.1808 7.7918 126.5346 60.5594 36.7133 176.0750 137 D 4.7399 8.7122 126.9218 53.1461 40.8139 175.4174 138 K 4.7655 9.0843 125.2974 56.4862 30.3544 175.5570 139 Q 3.7581 7.4869 119.8085 59.3412 29.0234 179.3856 140 K 4.0704 8.2292 118.1735 58.4442 31.8164 179.6685 141 V 3.2730 7.5903 116.2498 65.8332 31.8080 178.3026 142 G 3.9238 8.8862 105.4019 48.2197 0.0000 174.6876 143 Q 4.0015 7.8626 121.6241 59.1387 29.0268 178.7697 144 V 3.9116 8.3630 120.1547 65.2113 31.3587 177.5021 145 A 3.8947 7.9734 120.5332 55.3694 18.0632 178.8217 146 A 4.0701 7.9136 116.4106 56.0603 18.0398 179.4594 147 N 4.3114 8.4030 112.6340 56.5152 38.9328 177.2373 148 I 3.8001 8.6620 121.5884 64.7603 35.9233 178.6295 149 R 4.1104 8.7735 116.1750 58.0940 29.2088 178.3154 150 A 4.2074 8.6306 122.9548 55.9974 18.4224 178.2664 151 I 3.4057 7.0311 113.9266 64.4456 38.0025 178.5548 152 R 4.7807 7.2983 123.2107 55.1052 32.5523 175.8613 153 K 4.5595 7.6919 122.0499 56.4594 33.5456 176.2363 154 P 4.8266 0.0000 0.0000 63.7904 33.7624 174.9232 155 S 4.5901 8.0969 110.8548 58.0261 62.6621 174.0103 156 A 4.0919 7.8239 121.7387 56.8297 16.3851 181.2487 157 Y 3.9624 7.8995 112.4747 59.9393 34.3959 174.1171 158 H 4.0697 9.0929 127.0064 55.6903 28.5815 174.3914 159 E 4.1796 8.2654 120.9110 57.3763 28.1720 175.7912 160 K 4.4434 7.2806 116.2174 54.8841 32.9243 177.6568 161 G 3.8669 7.0564 110.9355 43.8539 0.0000 170.6850 162 I 4.9172 6.6201 114.2151 58.7248 39.2990 174.7814 163 Y 5.1972 8.5936 125.3013 57.0976 41.6473 171.9413 164 Y 5.6207 8.9126 117.8989 56.5156 41.7995 176.9466 165 A 4.3857 9.0110 126.0248 53.4484 18.4471 177.5187 166 G 3.9935 7.6971 106.8454 44.6828 0.0000 174.2419 167 E 4.1677 8.6371 125.0880 55.5149 30.6534 175.8829 168 P 4.7603 0.0000 0.0000 63.3073 32.8926 175.3358 169 V 4.3402 8.3908 113.8641 60.7930 34.1707 171.3602 170 R 3.3542 9.0776 119.6896 60.5919 28.5750 176.9834 *171 L 4.1254 8.4956 119.8228 53.8393 41.6082 179.0315 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 12 P 0.00 4.13 0.00 2.20 2.11 0.00 3.56 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 13 K 7.25 3.72 0.00 1.94 2.12 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.48 1.45 7.81 14 G 8.70 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 0.00 0.00 0.00 15 V 7.08 4.37 2.21 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 0.69 0.00 0.00 0.93 0.00 0.00 16 S 8.90 4.33 0.00 3.71 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.41 4.52 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 0.78 0.00 0.00 0.93 0.00 0.00 18 E 8.96 4.43 0.00 1.93 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 2.30 2.39 0.00 19 V 8.36 4.63 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 0.80 0.00 0.00 0.93 0.00 0.00 20 A 8.75 4.61 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 21 P 0.00 4.18 0.00 2.05 2.11 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 22 G 7.76 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 23 R 8.01 5.24 0.00 1.76 1.92 0.00 3.09 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 24 V 8.41 4.64 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 0.98 0.00 0.00 0.93 0.00 0.00 25 K 8.95 4.48 0.00 1.77 1.70 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.38 7.81 26 V 8.25 4.70 2.23 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 0.99 0.00 0.00 0.92 0.00 0.00 27 K 9.31 4.54 0.00 1.76 1.70 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.83 1.50 7.81 28 G 8.04 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.63 0.00 2.07 2.10 0.00 3.82 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.21 0.00 30 K 7.47 4.31 0.00 1.89 1.66 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.36 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.21 7.81 31 G 7.20 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.60 5.11 0.00 1.93 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 2.16 2.38 0.00 33 L 8.61 4.72 0.00 1.59 1.51 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.92 4.26 0.00 1.84 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 2.31 2.31 0.00 35 V 8.39 4.35 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 0.99 0.00 0.00 0.97 0.00 0.00 36 P 0.00 4.34 0.00 2.11 2.10 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 37 V 7.93 4.49 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 0.76 0.00 0.00 0.99 0.00 0.00 38 S 8.64 4.29 0.00 3.86 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.33 0.00 2.09 2.10 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 40 E 8.53 4.19 0.00 1.94 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 2.37 2.49 0.00 41 M 9.92 3.17 0.00 2.24 2.29 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 2.47 2.26 0.00 42 R 7.28 3.45 0.00 1.85 2.18 0.00 3.23 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 43 V 7.06 4.11 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 0.82 0.00 0.00 0.93 0.00 0.00 44 V 7.25 3.92 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 0.76 0.00 0.00 1.00 0.00 0.00 45 V 8.23 4.34 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 0.93 0.00 0.00 0.96 0.00 0.00 46 E 7.93 4.47 0.00 2.10 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 2.19 2.39 0.00 47 E 8.73 3.76 0.00 2.22 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 2.30 2.29 0.00 48 G 8.56 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 49 V 7.93 4.40 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 0.80 0.00 0.00 0.98 0.00 0.00 50 V 8.15 4.39 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 0.79 0.00 0.00 0.93 0.00 0.00 51 R 8.42 4.77 0.00 1.76 1.75 0.00 3.24 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 52 V 8.10 4.52 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 0.59 0.00 0.00 0.88 0.00 0.00 53 E 8.79 4.84 0.00 1.96 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 2.22 2.26 0.00 54 R 8.40 4.75 0.00 1.87 1.91 0.00 3.04 0.00 0.00 3.12 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.45 0.00 55 P 0.00 4.66 0.00 2.12 2.15 0.00 3.72 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 1.65 1.89 0.00 56 S 7.35 4.56 0.00 3.89 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 57 D 8.25 5.00 0.00 2.63 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 58 E 7.80 4.42 0.00 2.07 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 2.31 2.31 0.00 59 R 8.59 3.91 0.00 1.92 1.95 0.00 3.26 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 60 R 8.11 3.85 0.00 1.80 1.95 0.00 3.17 0.00 0.00 3.33 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 61 H 7.91 4.40 0.00 3.37 3.34 0.00 5.85 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 62 K 8.48 3.87 0.00 1.69 1.93 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.64 7.81 63 S 8.35 4.29 0.00 3.86 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 64 L 7.53 4.06 0.00 1.83 1.71 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 65 H 7.40 4.04 0.00 3.07 3.28 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 9.26 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 0.00 0.00 0.00 0.00 67 L 7.55 3.94 0.00 1.79 1.97 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.62 3.97 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 1.20 0.00 0.00 69 R 7.60 3.73 0.00 1.83 1.96 0.00 3.24 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 70 T 9.28 4.39 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 1.21 0.00 0.00 71 L 9.79 3.30 0.00 2.21 1.55 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 72 I 5.68 3.50 2.11 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 1.54 0.94 0.90 0.00 0.00 73 A 9.23 3.99 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 74 N 8.33 4.37 0.00 2.88 2.87 0.00 0.00 6.98 7.07 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 75 A 8.23 4.04 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 7.71 3.50 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 1.06 0.00 0.00 0.97 0.00 0.00 77 K 8.86 3.99 0.00 1.82 1.87 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.62 7.81 78 G 7.61 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 79 V 7.50 3.96 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 0.82 0.00 0.00 1.05 0.00 0.00 80 S 8.38 4.41 0.00 3.97 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 81 E 8.10 3.85 0.00 2.23 2.13 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 2.32 2.34 0.00 82 G 7.60 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 8.43 4.10 0.00 2.81 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 84 S 8.47 3.91 0.00 4.17 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 0.00 85 K 9.00 3.76 0.00 1.93 1.84 0.00 1.57 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.18 1.23 7.81 86 E 8.01 5.05 0.00 2.09 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 2.23 2.32 0.00 87 L 9.86 5.52 0.00 1.61 1.66 0.81 0.42 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 88 L 8.26 4.64 0.00 1.73 1.72 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.19 5.30 2.07 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.42 1.02 0.00 0.00 90 K 8.56 4.12 0.00 2.27 1.89 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.33 7.81 91 G 8.33 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 I 7.36 4.61 1.72 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 1.02 1.26 0.90 0.00 0.00 93 G 9.44 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 94 Y 8.11 4.63 0.00 2.88 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 95 R 8.41 5.20 0.00 1.92 2.06 0.00 3.15 0.00 0.00 3.32 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.42 0.00 96 A 8.41 5.54 1.22 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 0.00 0.00 97 R 8.33 4.33 0.00 1.70 1.79 0.00 3.13 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 98 L 8.69 4.51 0.00 1.65 1.63 0.99 1.03 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 99 V 8.35 3.93 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 0.86 0.00 0.00 0.93 0.00 0.00 100 G 7.98 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 R 8.92 4.49 0.00 1.80 1.95 0.00 3.17 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 102 A 7.41 4.71 1.16 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 0.00 103 L 7.69 4.96 0.00 1.79 1.15 1.03 0.67 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 0.00 104 E 8.77 5.26 0.00 1.99 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 2.19 2.21 0.00 105 L 8.65 5.25 0.00 1.53 1.92 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 106 T 8.42 4.07 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 1.17 0.00 0.00 107 V 7.41 3.56 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 0.00 0.00 0.29 0.00 0.00 0.30 0.00 0.00 108 G 8.14 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 0.00 109 F 7.29 5.02 0.00 2.97 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 0.00 110 S 8.63 4.66 0.00 3.89 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 H 7.91 4.84 0.00 3.04 3.17 0.00 5.94 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.13 0.00 2.22 1.98 0.00 3.29 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.82 0.00 113 V 8.11 4.04 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 0.91 0.00 0.00 1.00 0.00 0.00 114 V 8.36 4.12 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 0.74 0.00 0.00 0.92 0.00 0.00 115 V 8.75 4.28 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 0.76 0.00 0.00 0.89 0.00 0.00 116 E 8.76 4.14 0.00 1.92 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 2.25 2.26 0.00 117 P 0.00 4.83 0.00 2.25 2.14 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.01 0.00 118 P 0.00 4.49 0.00 2.27 2.27 0.00 3.99 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 2.17 2.06 0.00 119 E 8.64 3.97 0.00 1.93 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 2.30 2.41 0.00 120 G 8.89 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 0.00 121 I 7.75 4.58 2.16 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 1.23 0.92 0.92 0.00 0.00 122 T 8.82 4.66 4.27 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 1.27 0.00 0.00 123 F 8.91 4.78 0.00 2.89 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 0.00 124 E 9.11 4.73 0.00 1.88 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 2.26 2.26 0.00 125 V 8.47 4.64 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.98 0.00 0.00 126 P 0.00 4.86 0.00 2.22 1.28 0.00 4.02 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 127 E 9.07 4.19 0.00 2.03 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 2.40 2.25 0.00 128 P 0.00 4.60 0.00 2.23 2.30 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 129 T 7.79 4.13 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 0.00 130 R 7.47 4.76 0.00 1.82 1.86 0.00 3.24 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 131 V 9.03 4.60 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 0.96 0.00 0.00 0.97 0.00 0.00 132 R 9.03 4.80 0.00 1.75 1.76 0.00 3.08 0.00 0.00 3.33 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 133 V 8.76 4.35 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 0.15 0.00 0.00 0.37 0.00 0.00 134 S 9.22 4.68 0.00 3.82 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 0.00 135 G 7.83 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 0.00 0.00 0.00 0.00 136 I 7.79 4.18 1.79 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 1.01 0.25 0.83 0.00 0.00 137 D 8.71 4.74 0.00 2.52 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 0.00 0.00 0.00 0.00 138 K 9.08 4.77 0.00 1.91 1.81 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.28 1.14 7.81 139 Q 7.49 3.76 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 6.66 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 140 K 8.23 4.07 0.00 1.93 1.70 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.44 7.81 141 V 7.59 3.27 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 0.99 0.00 0.00 0.90 0.00 0.00 142 G 8.89 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 0.00 143 Q 7.86 4.00 0.00 2.45 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 144 V 8.36 3.91 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.98 0.00 0.00 145 A 7.97 3.89 1.12 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 0.00 146 A 7.91 4.07 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 0.00 147 N 8.40 4.31 0.00 2.99 2.92 0.00 0.00 7.15 7.36 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 0.00 148 I 8.66 3.80 2.04 0.00 0.00 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 1.89 1.18 0.95 0.00 0.00 149 R 8.77 4.11 0.00 2.18 2.35 0.00 3.07 0.00 0.00 3.65 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 150 A 8.63 4.21 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 0.00 151 I 7.03 3.41 1.74 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 1.51 0.78 0.74 0.00 0.00 152 R 7.30 4.78 0.00 1.66 1.79 0.00 2.87 0.00 0.00 2.77 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 153 K 7.69 4.56 0.00 1.82 1.21 0.00 1.48 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.37 7.81 154 P 0.00 4.83 0.00 2.38 2.34 0.00 3.43 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 155 S 8.10 4.59 0.00 3.90 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 0.00 156 A 7.82 4.09 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 0.00 157 Y 7.90 3.96 0.00 3.04 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 0.00 158 H 9.09 4.07 0.00 3.34 3.37 0.00 5.79 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 E 8.27 4.18 0.00 2.13 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 2.22 2.31 0.00 160 K 7.28 4.44 0.00 1.83 1.87 0.00 1.68 0.00 0.00 1.95 0.00 0.00 2.80 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.42 1.35 7.81 161 G 7.06 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 0.00 162 I 6.62 4.92 1.82 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 1.10 1.25 0.95 0.00 0.00 163 Y 8.59 5.20 0.00 2.99 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 Y 8.91 5.62 0.00 2.96 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 0.00 165 A 9.01 4.39 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 0.00 166 G 7.70 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 0.00 167 E 8.64 4.17 0.00 1.97 1.90 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 2.30 2.30 0.00 168 P 0.00 4.76 0.00 2.14 1.88 0.00 3.77 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 2.07 1.71 0.00 169 V 8.39 4.34 2.14 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 0.75 0.00 0.00 0.96 0.00 0.00 170 R 9.08 3.35 0.00 1.75 1.73 0.00 3.17 0.00 0.00 3.24 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 *171 L 8.50 4.13 0.00 1.43 1.52 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.