NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 36 T 4.3137 8.1744 117.3761 63.1673 70.0933 173.3886 37 S 4.1293 8.3842 121.0092 57.5817 63.0477 173.4543 38 Q 4.0905 9.4376 126.2546 58.4656 29.6904 176.7663 39 L 4.3425 8.0187 116.6908 54.5758 42.2305 178.1959 40 A 3.9878 7.9968 123.3264 55.2548 18.2026 179.7840 41 E 3.8934 8.1292 117.3211 59.1849 29.6977 178.5481 42 L 3.9551 7.8599 119.8565 58.3643 42.2111 179.0189 43 V 3.7061 8.1401 118.3748 65.9483 31.3448 177.4516 44 D 4.3065 8.6113 118.0957 57.2460 41.0070 178.0660 45 A 4.0165 8.3145 121.1786 55.1134 18.3126 179.4222 46 A 3.9565 8.4305 119.3351 55.2529 18.4811 179.7828 47 A 3.9818 8.3485 119.5211 55.3476 18.2910 179.3968 48 E 3.9073 8.3259 117.0121 59.5187 29.9281 178.7552 49 R 4.0941 8.4453 119.0547 59.3425 30.0726 178.2766 50 L 4.0585 8.3291 119.1307 58.0908 41.7308 179.3783 51 E 4.4175 8.3130 119.3236 58.4577 29.3212 179.3156 52 V 3.7180 7.7579 117.9022 65.4148 31.4078 177.4092 53 A 4.0406 8.2759 121.2294 55.5273 17.9565 179.3668 54 D 4.4296 8.1875 116.7943 57.1583 41.0806 177.2115 55 P 4.3628 0.0000 0.0000 65.8757 31.1924 178.5503 56 V 3.6696 8.0351 117.8411 65.7915 31.4141 177.8416 57 A 4.2634 8.6779 120.7898 55.2701 18.4018 179.3345 58 A 3.9967 8.7946 119.6260 55.3628 18.4471 179.6645 59 F 4.0656 8.6470 119.0436 61.5606 39.4869 177.5869 60 K 4.1676 8.7691 118.2556 59.0451 31.8959 179.2528 61 W 3.9734 8.9393 129.1066 60.5859 30.4914 178.1470 62 R 3.7717 7.7956 116.6026 58.8766 29.6150 177.3820 63 A 4.0545 7.6942 117.6714 51.1223 19.4378 176.7008 64 Q 3.1941 7.3122 115.0754 56.8410 26.9656 173.6664 65 L 4.7632 8.0284 116.1372 52.2862 44.0947 175.5153 66 P 4.7131 0.0000 0.0000 62.3487 32.4435 176.8761 67 I 3.5134 8.0839 119.9200 64.3722 37.0847 176.8883 68 E 4.2694 7.6452 117.8345 56.0440 30.6414 177.0093 69 D 4.3604 8.0941 118.8550 52.5799 42.8403 176.0107 70 S 4.2315 8.6669 123.9356 61.4812 63.0577 176.4696 71 G 3.5901 8.1336 108.9743 47.2853 0.0000 175.4659 72 R 3.8545 8.4082 121.0644 59.3060 30.1806 178.8239 73 V 3.5725 7.9294 118.0993 65.8502 31.4477 177.4289 74 E 3.9460 8.4314 119.2749 59.4109 29.4704 178.9258 75 Q 3.9687 8.0818 117.9101 59.0978 28.8417 178.6788 76 Q 3.9879 8.3139 119.2847 59.1044 28.7065 179.1172 77 L 3.9902 8.4505 120.1039 57.5816 41.6394 179.3457 78 A 3.9613 8.1726 120.8951 55.0313 18.2267 179.6386 79 K 3.8581 8.1025 118.0601 59.6168 32.2157 178.9443 80 L 3.8876 7.9681 119.4203 57.7693 41.3714 179.8272 81 G 3.6010 8.3017 105.7272 47.7779 0.0000 175.6638 82 E 3.9484 8.2199 120.9634 59.1230 29.4040 179.0168 83 D 4.2909 8.3464 119.0224 57.3382 40.8556 178.6563 84 A 3.9764 8.2021 121.3405 55.3457 18.4340 179.7139 85 R 3.8407 8.1627 116.8741 59.6039 29.9961 179.5566 86 S 4.1369 8.0111 112.1552 60.5985 62.9897 175.4038 87 Q 4.2133 7.3385 118.9631 54.7014 29.0209 174.8377 88 H 4.1172 7.6605 115.9038 57.1128 26.7995 174.5860 89 I 4.1234 7.5741 118.7425 58.9922 39.4297 175.9578 90 D 4.2726 7.8844 122.9382 54.1813 41.7498 175.5342 91 P 4.4003 0.0000 0.0000 65.8082 31.4610 178.2033 92 D 4.3910 8.5508 119.0900 57.2863 40.6192 177.8384 93 Y 4.1124 8.4387 119.5842 60.9172 38.8638 178.2796 94 V 3.8625 8.1013 119.0150 66.3463 31.5631 178.0558 95 T 3.9637 8.4317 115.9031 66.7050 68.3117 176.7794 96 R 3.8970 8.1966 120.0154 59.2670 30.0290 179.3557 97 V 3.4786 7.8065 118.0420 66.1211 31.5151 178.1276 98 F 4.0100 8.7579 117.6944 59.9231 38.6438 177.3223 99 D 4.3615 8.4589 118.4014 57.3860 40.9476 177.8781 100 D 4.2971 8.0355 119.3092 57.4806 40.8562 178.5295 101 Q 3.8845 8.2134 120.1210 59.4064 28.9211 178.6519 102 I 3.7748 8.2223 121.0815 64.3938 37.0777 178.6183 103 R 4.0647 8.2709 118.9106 59.2761 29.8022 178.9489 104 A 3.9335 8.2540 120.7573 55.3560 18.3115 179.8961 105 T 3.7286 7.8004 114.2357 66.8707 68.4898 176.7785 106 E 3.7901 8.4408 120.5338 59.1995 29.4304 179.1851 107 A 4.0739 8.2220 121.1735 55.2933 18.3889 179.8076 108 I 3.4615 7.3097 117.8242 64.4598 37.1219 178.3265 109 E 3.7835 7.9233 119.3710 59.8256 29.2150 179.2319 110 Y 4.0813 8.0394 116.8540 60.9391 37.8833 178.5059 111 S 4.0084 8.1173 114.1563 61.3254 62.4261 176.3729 112 R 3.0763 7.7482 120.6918 59.0391 29.5920 178.9082 113 F 3.9862 8.1306 117.4905 60.5355 38.9802 177.6245 114 S 4.1121 8.2774 112.6883 61.5839 62.1603 175.8043 115 D 4.3145 7.7523 121.3515 57.4698 40.4660 179.1601 116 W 4.3245 7.8316 119.3072 59.1821 28.5567 178.9101 117 K 4.3400 8.0528 118.3406 59.5652 31.5941 179.0186 118 L 4.3444 7.6874 117.6987 56.4668 43.0058 177.2325 119 N 5.0013 8.4010 117.7156 50.2500 39.0685 172.2644 120 P 4.5241 0.0000 0.0000 64.5224 31.7826 179.4306 121 A 4.0721 8.0066 120.6766 54.4368 18.3738 178.1605 122 S 4.2217 7.9579 109.1588 59.3076 63.6807 174.5970 123 A 2.5800 7.1637 125.3025 51.0647 19.4281 174.0989 124 P 3.9399 0.0000 0.0000 63.5962 30.5948 176.6413 *127 P 4.3774 0.0000 0.0000 62.7828 33.4649 175.7549 128 P 4.8132 0.0000 0.0000 63.2206 31.4462 176.1365 129 D 4.4777 8.6248 118.9384 53.2907 40.3305 176.5434 130 L 4.3436 7.6718 116.3208 54.6973 41.6168 178.7610 131 S 4.0460 8.5934 117.7863 61.3435 62.8553 176.2746 132 A 3.9631 7.9063 123.9030 55.1166 18.1242 179.6207 133 S 4.0647 7.9725 113.1328 61.5952 62.9168 176.7597 134 R 3.8474 8.2724 121.7176 59.5823 29.8884 178.7601 135 S 4.0980 8.2423 114.7558 61.4633 62.7913 176.5242 136 A 4.1016 8.0809 124.8105 54.8208 18.1772 179.8216 137 I 3.7958 8.0539 118.4934 64.5219 37.2230 178.4610 138 D 4.3921 8.3332 120.1701 57.3371 40.4681 179.0022 139 S 4.1703 8.1926 114.8210 61.4901 63.0211 176.5915 140 L 4.1643 8.4968 123.1254 57.2929 41.2886 179.0143 141 N 4.5027 8.7195 117.0262 56.5291 38.5465 176.8208 142 N 4.2819 8.0664 117.9497 56.6671 39.0999 176.7548 143 R 3.9348 8.1646 120.0235 59.7197 30.1896 178.3432 144 M 4.1455 8.5659 118.7980 58.6060 32.0591 178.7838 145 L 4.2118 8.3607 119.4136 57.8090 41.7708 179.6652 146 S 4.2437 8.3657 114.3247 61.7413 62.7689 176.6627 147 Q 4.2442 8.1938 120.9943 58.4346 28.3107 178.3822 148 I 3.8208 7.8703 120.3653 64.0958 37.0719 177.9332 149 W 4.0173 8.4610 129.0367 60.6810 30.4137 178.2470 150 S 4.3694 8.3364 113.6822 61.1375 62.4058 175.6204 151 H 4.8606 8.1457 117.3166 55.1980 29.1017 176.3226 152 W 4.0936 7.5204 132.6848 60.8543 30.8271 177.6243 153 S 4.0724 7.9402 114.3960 61.4847 62.2687 176.3540 154 L 3.8993 7.7039 122.4479 58.0438 41.9664 178.6821 155 L 3.9562 8.1193 118.6904 56.7166 41.2389 178.4276 156 S 4.2697 7.1409 112.5689 57.2051 63.8309 173.5777 157 A 4.6797 7.0035 125.4433 49.4719 20.9137 176.3643 158 P 4.2998 0.0000 0.0000 65.3749 31.7099 178.1857 159 S 4.3221 7.9384 111.3467 59.4780 63.9454 176.3337 160 C 4.1047 8.2435 122.0008 59.9805 43.9324 175.1920 161 A 3.9184 7.9923 121.3172 55.1881 17.9343 179.3560 162 A 3.9150 7.8805 118.7056 55.4715 18.5512 179.7623 163 Q 3.9251 8.1669 116.6352 58.7977 28.6978 178.7689 164 L 3.9775 8.5439 121.7964 58.2832 42.1725 178.6848 165 D 4.3567 8.2829 119.0058 57.3663 40.7722 178.8543 166 R 3.8499 8.3059 119.0946 59.3210 30.0390 178.3239 167 A 4.0129 8.1469 120.5946 55.1538 18.3375 179.7045 168 K 3.8623 8.4442 117.3174 59.5721 32.2276 179.2591 169 R 3.8836 8.0477 118.9167 59.9006 29.8819 178.2880 170 D 4.3903 8.1805 118.3372 57.3719 40.7264 178.8828 171 I 4.0002 8.0520 122.0108 63.4952 37.1161 178.3928 172 V 3.5705 8.1649 119.7054 66.0530 31.4151 178.1792 173 R 3.8911 7.9331 118.2119 59.5853 29.9240 178.6994 174 S 4.1485 8.5262 113.8841 60.8909 63.1452 175.6037 175 R 4.2999 8.2759 117.5879 55.3240 30.6264 175.3097 176 H 4.0658 7.7313 116.9005 56.9621 28.6713 174.9415 177 L 4.0116 7.8731 118.6061 54.5451 42.5062 178.5044 178 D 4.6969 8.4080 123.7842 52.4151 42.3469 177.1674 179 S 4.1438 8.5343 113.5568 61.5473 62.6057 176.1820 180 L 3.8519 7.9353 123.2529 58.3396 41.9147 178.4675 181 Y 3.7407 8.6895 116.7952 60.9019 37.7183 178.6385 182 Q 4.0345 8.6099 119.5733 59.0379 28.8527 179.0638 183 R 3.8550 8.0223 118.7660 59.2027 30.0848 178.9546 184 A 3.8951 8.0791 120.6839 55.0899 18.1015 179.4774 185 L 3.9207 8.0567 118.2454 58.3379 42.2756 179.0910 186 T 3.9053 7.8631 115.7683 66.9012 68.2766 176.6130 187 T 3.7610 7.8800 117.3110 66.7465 68.2893 176.5591 188 A 3.9432 8.2175 121.7135 54.1518 18.6311 178.6288 189 T 3.1010 7.1209 106.3416 61.0851 69.1117 175.9545 190 Q 4.0670 7.5202 120.6831 58.3658 28.7204 176.7382 191 S 4.6856 6.8942 115.7388 58.4463 63.6843 174.5587 192 Y 4.6999 7.9744 119.3174 60.7678 37.6738 176.0520 193 C 4.8613 8.0951 116.7470 56.0516 40.9339 173.8908 194 Q 4.4853 8.9487 123.8796 55.2312 29.2247 176.2279 195 A 4.1762 8.5589 123.5280 52.3027 19.1367 177.2675 196 L 4.5161 8.2281 120.1124 52.2031 43.7334 175.0225 197 P 4.3022 0.0000 0.0000 62.7138 31.5641 175.0245 198 P 4.4904 0.0000 0.0000 63.3193 31.9752 176.0418 199 A 4.1016 7.5912 127.2338 53.1004 18.8323 176.0658 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 36 T 8.17 4.31 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 1.22 0.00 0.00 37 S 8.38 4.13 0.00 3.94 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 38 Q 9.44 4.09 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 39 L 8.02 4.34 0.00 1.74 1.73 0.99 0.51 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 40 A 8.00 3.99 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 41 E 8.13 3.89 0.00 2.09 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 2.43 2.41 0.00 42 L 7.86 3.96 0.00 1.79 1.83 0.86 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.14 3.71 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 1.06 0.00 0.00 1.14 0.00 0.00 44 D 8.61 4.31 0.00 2.92 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 45 A 8.31 4.02 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 46 A 8.43 3.96 1.51 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 0.00 0.00 47 A 8.35 3.98 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 48 E 8.33 3.91 0.00 2.04 2.18 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 2.36 2.35 0.00 49 R 8.45 4.09 0.00 2.14 2.11 0.00 3.31 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 50 L 8.33 4.06 0.00 2.14 1.83 0.94 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.31 4.42 0.00 2.28 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 2.03 2.39 0.00 52 V 7.76 3.72 2.24 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 1.04 0.00 0.00 1.01 0.00 0.00 53 A 8.28 4.04 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.19 4.43 0.00 3.02 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 55 P 0.00 4.36 0.00 2.33 2.38 0.00 3.95 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 2.29 2.08 0.00 56 V 8.04 3.67 2.22 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 1.06 0.00 0.00 0.97 0.00 0.00 57 A 8.68 4.26 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 0.00 0.00 0.00 0.00 0.00 58 A 8.79 4.00 1.52 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 0.00 0.00 0.00 59 F 8.65 4.07 0.00 3.33 3.37 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 60 K 8.77 4.17 0.00 2.39 2.37 0.00 1.88 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.69 1.90 7.81 61 W 8.94 3.97 0.00 3.67 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 62 R 7.80 3.77 0.00 1.83 1.79 0.00 3.25 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 63 A 7.69 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 7.31 3.19 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.64 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 65 L 8.03 4.76 0.00 1.73 1.67 1.11 0.94 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 66 P 0.00 4.71 0.00 2.21 2.12 0.00 3.82 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 2.02 2.02 0.00 67 I 8.08 3.51 0.96 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 0.43 -0.36 0.25 0.00 0.00 68 E 7.65 4.27 0.00 2.01 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 2.32 2.38 0.00 69 D 8.09 4.36 0.00 2.67 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 70 S 8.67 4.23 0.00 4.10 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.13 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.41 3.85 0.00 1.91 2.12 0.00 3.11 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 73 V 7.93 3.57 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 0.96 0.00 0.00 0.94 0.00 0.00 74 E 8.43 3.95 0.00 2.19 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 0.00 2.31 2.37 0.00 75 Q 8.08 3.97 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 76 Q 8.31 3.99 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 77 L 8.45 3.99 0.00 1.66 1.73 0.96 0.82 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 78 A 8.17 3.96 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 79 K 8.10 3.86 0.00 1.81 1.91 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.43 7.81 80 L 7.97 3.89 0.00 1.70 1.36 0.49 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.30 3.60 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 0.00 0.00 0.00 82 E 8.22 3.95 0.00 2.14 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 2.45 2.47 0.00 83 D 8.35 4.29 0.00 2.78 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 84 A 8.20 3.98 1.45 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 0.00 0.00 0.00 85 R 8.16 3.84 0.00 2.00 1.97 0.00 3.29 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 86 S 8.01 4.14 0.00 3.95 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 87 Q 7.34 4.21 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.84 0.00 0.00 0.00 0.00 0.00 2.20 2.38 0.00 88 H 7.66 4.12 0.00 3.47 3.42 0.00 5.62 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.57 4.12 1.88 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.89 0.86 0.00 0.00 90 D 7.88 4.27 0.00 2.48 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.40 0.00 2.33 2.43 0.00 3.77 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 2.10 2.06 0.00 92 D 8.55 4.39 0.00 2.97 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.44 4.11 0.00 3.38 3.36 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 94 V 8.10 3.86 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 1.23 0.00 0.00 95 T 8.43 3.96 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 1.25 0.00 0.00 96 R 8.20 3.90 0.00 1.93 1.92 0.00 3.13 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 97 V 7.81 3.48 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 0.92 0.00 0.00 0.52 0.00 0.00 98 F 8.76 4.01 0.00 3.23 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 99 D 8.46 4.36 0.00 2.96 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 0.00 100 D 8.04 4.30 0.00 2.88 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 0.00 101 Q 8.21 3.88 0.00 2.01 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 102 I 8.22 3.77 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.83 0.93 0.00 0.00 103 R 8.27 4.06 0.00 2.01 1.97 0.00 3.13 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 104 A 8.25 3.93 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 0.00 105 T 7.80 3.73 4.38 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 1.20 0.00 0.00 106 E 8.44 3.79 0.00 2.15 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 2.20 2.42 0.00 107 A 8.22 4.07 1.33 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 0.00 0.00 0.00 108 I 7.31 3.46 1.80 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.37 0.68 0.00 0.00 109 E 7.92 3.78 0.00 1.77 1.62 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 2.44 2.46 0.00 110 Y 8.04 4.08 0.00 3.12 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 0.00 111 S 8.12 4.01 0.00 3.82 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 0.00 112 R 7.75 3.08 0.00 1.29 0.66 0.00 3.02 0.00 0.00 2.91 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 113 F 8.13 3.99 0.00 3.21 3.36 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 0.00 114 S 8.28 4.11 0.00 3.90 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 D 7.75 4.31 0.00 2.41 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 W 7.83 4.32 0.00 1.78 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 0.00 0.00 0.00 0.00 117 K 8.05 4.34 0.00 2.03 2.01 0.00 1.87 0.00 0.00 1.97 0.00 0.00 3.20 0.00 0.00 3.19 0.00 0.00 0.00 0.00 2.00 1.85 7.81 118 L 7.69 4.34 0.00 1.82 1.75 0.93 0.91 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 0.00 119 N 8.40 5.00 0.00 2.76 2.68 0.00 0.00 6.97 8.19 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 0.00 120 P 0.00 4.52 0.00 2.38 2.57 0.00 4.06 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.04 0.00 121 A 8.01 4.07 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 4.22 0.00 4.04 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 0.00 123 A 7.16 2.58 0.31 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 0.00 124 P 0.00 3.94 0.00 2.00 1.80 0.00 2.57 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 *127 P 0.00 4.38 0.00 2.28 2.16 0.00 3.82 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 2.01 1.98 0.00 128 P 0.00 4.81 0.00 2.25 2.00 0.00 3.82 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 129 D 8.62 4.48 0.00 2.71 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 L 7.67 4.34 0.00 1.38 1.51 0.73 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 131 S 8.59 4.05 0.00 4.00 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 0.00 132 A 7.91 3.96 1.33 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 0.00 0.00 0.00 133 S 7.97 4.06 0.00 3.99 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 0.00 134 R 8.27 3.85 0.00 1.92 2.07 0.00 3.07 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 135 S 8.24 4.10 0.00 4.05 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 0.00 136 A 8.08 4.10 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 0.00 137 I 8.05 3.80 1.95 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 1.58 0.62 0.99 0.00 0.00 138 D 8.33 4.39 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 0.00 139 S 8.19 4.17 0.00 4.08 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.50 4.16 0.00 1.80 1.84 1.00 0.65 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 0.00 141 N 8.72 4.50 0.00 2.85 2.78 0.00 0.00 6.62 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 0.00 142 N 8.07 4.28 0.00 2.87 2.99 0.00 0.00 6.92 7.32 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 0.00 143 R 8.16 3.93 0.00 1.98 2.13 0.00 3.20 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 144 M 8.57 4.15 0.00 2.21 2.55 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.66 0.00 145 L 8.36 4.21 0.00 1.89 1.94 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 146 S 8.37 4.24 0.00 4.10 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 0.00 147 Q 8.19 4.24 0.00 2.33 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.68 2.69 0.00 148 I 7.87 3.82 2.21 0.00 0.00 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 1.55 0.71 1.22 0.00 0.00 149 W 8.46 4.02 0.00 3.48 3.44 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 0.00 150 S 8.34 4.37 0.00 4.10 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 0.00 151 H 8.15 4.86 0.00 3.27 3.25 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 W 7.52 4.09 0.00 3.29 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 0.00 153 S 7.94 4.07 0.00 3.83 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 0.00 154 L 7.70 3.90 0.00 1.73 1.80 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 155 L 8.12 3.96 0.00 1.31 1.55 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0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 164 L 8.54 3.98 0.00 1.81 1.91 0.94 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 165 D 8.28 4.36 0.00 2.89 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 0.00 166 R 8.31 3.85 0.00 1.86 2.06 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 167 A 8.15 4.01 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 0.00 168 K 8.44 3.86 0.00 1.90 1.85 0.00 1.59 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.56 7.81 169 R 8.05 3.88 0.00 1.96 2.12 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 170 D 8.18 4.39 0.00 2.88 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 0.00 171 I 8.05 4.00 1.89 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 1.65 2.08 0.93 0.00 0.00 172 V 8.16 3.57 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.98 0.00 0.00 173 R 7.93 3.89 0.00 2.06 2.06 0.00 3.16 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 174 S 8.53 4.15 0.00 4.02 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 0.00 175 R 8.28 4.30 0.00 1.89 1.95 0.00 3.50 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 176 H 7.73 4.07 0.00 3.19 3.28 0.00 5.95 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 L 7.87 4.01 0.00 1.70 1.66 0.98 0.77 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 0.00 178 D 8.41 4.70 0.00 2.95 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 0.00 179 S 8.53 4.14 0.00 4.06 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 0.00 180 L 7.94 3.85 0.00 1.76 1.91 0.81 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 181 Y 8.69 3.74 0.00 3.21 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 0.00 182 Q 8.61 4.03 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 183 R 8.02 3.85 0.00 1.97 1.92 0.00 3.10 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 184 A 8.08 3.90 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 0.00 0.00 185 L 8.06 3.92 0.00 1.75 1.82 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 186 T 7.86 3.91 4.35 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 1.15 0.00 0.00 187 T 7.88 3.76 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 188 A 8.22 3.94 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 0.00 189 T 7.12 3.10 3.30 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 0.85 0.00 0.00 190 Q 7.52 4.07 0.00 2.13 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.60 6.95 0.00 0.00 0.00 0.00 0.00 2.49 2.33 0.00 191 S 6.89 4.69 0.00 4.02 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 0.00 192 Y 7.97 4.70 0.00 2.94 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 0.00 193 C 8.10 4.86 0.00 2.88 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 0.00 194 Q 8.95 4.49 0.00 1.80 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.87 0.00 0.00 0.00 0.00 0.00 2.31 1.90 0.00 195 A 8.56 4.18 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 L 8.23 4.52 0.00 1.62 1.57 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 197 P 0.00 4.30 0.00 2.09 1.99 0.00 3.64 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 2.01 2.07 0.00 198 P 0.00 4.49 0.00 2.17 2.15 0.00 3.80 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 1.97 1.96 0.00 199 A 7.59 4.10 1.20 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.