NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1854 8.1627 120.2788 54.7029 33.2560 173.9937 2 K 4.0808 8.5260 128.2436 56.2894 32.7147 175.0826 3 G 4.0081 8.6437 116.2088 44.8958 0.0000 171.3577 4 D 4.6815 8.4324 119.2358 54.0115 42.0643 177.2158 5 T 3.8542 8.9212 123.0606 66.9660 68.5455 176.5463 6 K 3.7982 8.1380 120.7224 59.0693 32.1778 178.8509 7 V 3.8640 8.5111 118.8849 66.2597 31.4675 177.9600 8 I 3.7731 7.7451 119.3509 64.4991 36.9202 178.1186 9 N 4.2396 8.3073 117.2403 56.4732 38.3841 176.9950 10 Y 4.1097 8.0041 117.9685 61.1406 38.0385 178.4677 11 L 3.8502 8.5931 120.1252 58.1692 41.6912 179.5570 12 N 4.3373 8.5062 116.5075 56.0110 38.4566 177.4670 13 K 3.8644 7.9845 121.0446 59.3934 32.3265 178.8507 14 L 3.8125 8.2410 119.5626 57.6770 41.4973 179.0190 15 L 4.0217 7.8131 120.6841 58.2886 41.8104 179.3069 16 G 3.6214 8.1829 105.6352 47.8921 0.0000 175.4090 17 N 4.3800 8.0166 118.8863 56.0445 38.5173 177.2937 18 E 4.1060 8.2908 120.2332 59.3151 29.1726 179.0344 19 L 4.3308 8.0705 118.6601 57.2570 40.7901 179.4097 20 V 3.6080 7.6946 120.6531 64.8059 31.4618 178.0096 21 A 3.8998 8.0615 121.6968 54.8657 18.2273 179.3918 22 I 3.7576 8.2158 118.6291 64.9659 37.1822 178.4524 23 N 4.4268 7.8931 116.1827 56.2602 38.3099 177.4489 24 Q 3.8297 8.3442 121.2276 59.3865 29.0930 177.8221 25 Y 4.2976 8.4948 118.2593 60.9806 38.0021 178.3366 26 F 3.8997 8.5015 121.7296 61.0160 39.6049 176.9189 27 L 3.9411 8.2735 120.1020 58.5787 41.8762 178.3544 28 H 3.7984 8.2928 116.1037 58.9261 28.6769 177.3390 29 A 4.1521 8.1054 122.2678 55.4450 18.2615 179.6385 30 R 3.9487 7.5895 114.8493 58.1287 30.2586 179.1673 31 M 3.4277 7.5095 119.2853 58.1256 31.9021 178.3598 32 F 4.5991 7.4148 117.9350 60.6800 39.1369 177.6902 33 K 3.9451 8.1641 119.0606 59.4548 31.7716 178.2325 34 N 4.2765 7.7225 116.1107 56.5702 39.0108 176.3919 35 W 4.7532 7.8236 117.1900 57.4340 29.0799 177.2219 36 G 3.9846 8.3160 108.2002 46.1775 0.0000 174.2885 37 L 4.6965 7.9119 121.8778 52.6956 38.1746 177.0302 38 K 3.8208 7.9702 122.9287 60.0231 32.6395 177.3838 39 R 3.9786 8.3393 118.8447 59.1093 29.9383 178.4099 40 L 4.1304 7.8290 118.5857 57.2939 41.4973 178.8690 41 N 4.5462 8.1624 116.7276 56.8317 39.0486 176.3117 42 D 4.3728 8.0356 120.3027 57.5722 40.9550 179.2512 43 V 3.3524 7.6258 118.1531 65.8549 31.5170 177.7527 44 E 3.8390 8.4119 119.2966 59.1565 29.5553 177.9670 45 Y 3.9893 8.4393 120.1772 61.0893 38.8871 177.7249 46 H 3.9707 8.2635 118.9697 59.2434 29.8381 177.0599 47 E 3.5433 7.7527 120.4518 58.6590 29.1150 178.9048 48 S 4.0463 7.6235 113.4078 61.5436 62.4006 176.3765 49 I 3.5137 7.1547 122.0350 64.3028 36.7900 177.9746 50 D 4.1741 7.6969 119.5711 57.6007 40.6244 178.8567 51 E 4.0060 8.1182 118.7759 59.6793 29.3800 179.4685 52 M 4.0441 7.9423 118.7243 58.3229 32.0343 178.8728 53 K 3.9625 7.9911 118.6176 59.6312 32.1801 179.0457 54 H 4.0774 8.2378 116.1922 58.8043 28.6051 177.4844 55 A 4.2184 8.2311 122.5779 55.4165 18.2538 178.9172 56 D 4.3000 8.4870 116.7912 57.7199 41.2125 178.8200 57 R 3.8611 7.9017 118.1973 59.4632 30.0561 178.5317 58 Y 4.3262 7.6879 116.3226 61.2922 37.9323 178.8466 59 I 3.7654 8.1459 120.7566 64.7167 37.2983 178.4727 60 E 4.0688 8.3716 119.2232 59.0644 29.1733 179.5414 61 R 4.0428 8.0091 118.9686 59.5098 30.1998 178.3498 62 I 3.7684 8.4485 119.9558 64.6392 37.1356 178.4165 63 L 4.0240 8.1445 119.5982 57.7734 41.2214 179.3887 64 F 4.3595 8.1040 119.6768 61.1363 39.6668 176.4383 65 L 4.3506 8.1851 117.9794 53.8766 41.2175 177.0966 66 E 3.9023 8.0392 117.6574 57.4537 27.0230 174.4449 67 G 3.9589 8.1631 107.9631 43.9719 0.0000 173.6956 68 L 4.5177 8.0194 119.0025 52.0393 42.0553 175.2494 69 P 4.4211 0.0000 0.0000 62.4777 31.7726 175.8132 70 N 4.7444 9.6049 122.3146 52.3491 39.0368 173.8667 71 L 4.6532 8.2798 124.2657 54.6554 42.5588 177.9821 72 Q 4.0879 8.5771 119.8894 58.7447 28.8338 176.4440 73 D 4.6563 8.0479 116.5794 53.0189 41.8693 175.4153 74 L 4.6102 8.2633 125.3441 52.6876 44.2350 176.3172 75 G 3.7922 8.4903 114.9413 44.6699 0.0000 172.3266 76 K 4.0140 8.3131 120.6337 56.0132 32.2654 176.2697 77 L 4.0707 8.4150 127.0911 54.4010 42.2151 176.0790 78 N 4.7801 8.8008 122.1919 51.9069 39.5408 173.2194 79 I 4.3451 8.1712 126.5547 59.6221 38.7133 176.6200 80 G 4.0433 8.6157 114.0938 44.9389 0.0000 172.7621 81 E 4.6601 8.7927 116.9205 56.5203 30.9894 176.5206 82 D 4.9652 7.6603 117.6006 50.2840 44.0314 175.9901 83 V 4.0274 8.5490 119.5714 66.7533 31.4087 177.6162 84 E 3.8117 8.2070 117.9047 59.4642 29.5780 178.0138 85 E 3.9829 8.5457 119.3849 59.6633 29.5844 178.9060 86 M 4.0774 8.5389 117.2144 58.3323 31.4168 178.5189 87 L 4.1235 8.5883 120.6465 57.6000 41.8708 179.5316 88 R 3.9024 8.6587 118.9062 59.3378 30.0595 178.5699 89 S 4.1110 8.2907 113.1587 61.3796 62.3327 175.8272 90 D 4.2245 8.1668 121.6992 57.1028 40.4666 178.4490 91 L 3.9891 8.1864 120.6301 58.3255 42.1750 178.9861 92 A 3.9874 7.9641 120.4571 54.9512 18.2248 179.4356 93 L 3.9343 7.8505 118.6056 58.1787 42.0956 178.9121 94 E 4.0605 8.5540 118.9432 59.5114 29.4799 179.2639 95 L 4.0233 8.1770 119.0523 58.0426 41.7737 179.4196 96 D 4.4867 8.3512 118.8388 57.3472 40.7869 179.0577 97 G 3.6807 8.3469 106.0390 47.7450 0.0000 175.6073 98 A 4.0555 8.3383 123.4239 54.6477 18.5198 179.4666 99 K 3.8260 8.0989 118.1880 59.9964 32.2770 178.7159 100 N 4.4132 8.1133 116.3717 56.2284 38.3315 177.4626 101 L 3.9751 8.0781 120.3637 57.8431 41.7952 179.5589 102 R 3.8902 8.1334 118.1072 59.2824 30.0867 178.7231 103 E 3.8600 8.0572 118.2254 59.3241 29.7081 178.7517 104 A 2.8297 7.7780 120.7464 54.7140 18.3227 179.7056 105 I 3.7314 7.9612 118.6862 64.4737 36.9685 178.9150 106 G 3.5945 7.6388 104.9717 47.8084 0.0000 174.9043 107 Y 4.0634 7.9001 121.4993 60.3360 38.8565 177.4534 108 A 3.8230 8.3423 122.2032 55.4841 18.5186 179.1266 109 D 4.0390 7.9150 116.3905 57.2685 41.0857 178.3285 110 S 4.1627 7.4406 113.1357 60.0264 63.3065 175.6957 111 V 3.9160 6.7779 114.1635 60.7376 31.5583 175.5280 112 H 2.9326 6.9173 113.5227 56.7908 27.0105 176.4382 113 D 4.5247 7.3654 121.3877 53.3308 37.7621 176.1746 114 Y 4.2879 7.3810 121.5297 60.5621 38.3691 178.2234 115 V 3.7278 7.8702 119.9291 64.6880 31.7479 178.3356 116 S 4.1601 8.2741 115.6373 61.5187 62.6464 176.6511 117 R 3.8823 8.1262 121.1560 59.4664 29.8714 178.0812 118 D 4.2892 8.4083 118.1002 57.4880 41.2804 177.6275 119 M 3.9645 8.3186 119.0719 59.2451 32.1042 178.2053 120 M 4.1516 8.3130 118.8075 58.3648 32.0984 178.8483 121 I 3.7312 8.1321 120.4137 64.2184 37.3424 178.3074 122 E 3.9562 8.1193 119.3007 59.4913 29.3378 179.4183 123 I 3.5782 7.6327 119.7843 64.2731 37.0535 178.2528 124 L 3.9762 8.1640 121.5019 58.0919 42.0105 178.9396 125 R 3.8955 8.0698 118.7286 59.5466 29.9712 178.2641 126 D 4.3465 7.9437 118.3240 57.2577 40.8044 178.6738 127 E 3.9085 8.1798 119.0837 59.4180 29.4579 178.6579 128 E 4.0945 8.5802 119.9068 59.4630 29.5362 179.2041 129 G 3.6610 7.9350 105.0328 48.2469 0.0000 175.2943 130 H 4.4419 8.1065 119.0969 58.6023 28.6583 177.8866 131 I 3.8167 8.4416 121.8914 64.5631 37.0228 177.7544 132 D 4.3788 8.4375 118.9884 57.1886 40.9212 178.1539 133 W 4.1378 8.5179 128.5707 60.5181 30.7338 177.5334 134 L 3.6867 8.2639 118.8572 58.0922 41.1919 179.4599 135 E 3.9035 8.3828 118.2057 59.7909 29.3189 179.7290 136 T 3.7977 7.8188 115.4931 66.5630 68.5190 176.5197 137 E 3.7786 7.7305 120.4747 59.4226 28.9328 179.4333 138 L 3.7612 7.8253 119.0075 57.9510 41.5945 179.4465 139 D 4.3252 8.1151 118.7123 57.2280 40.6101 178.8202 140 L 3.9807 8.0484 119.8953 57.7259 41.6699 179.4954 141 I 3.3751 7.5058 119.8470 64.3290 36.7129 178.2838 142 Q 3.9271 7.4017 118.5934 58.8968 28.9507 178.0132 143 K 4.1268 8.0247 119.1432 59.1296 32.3189 178.4790 144 M 4.3782 8.3240 114.5338 54.1875 32.3574 177.3396 145 G 4.0712 7.5399 104.9302 45.7831 0.0000 174.4273 146 L 3.9880 8.3372 120.4888 57.9695 42.0936 179.1873 147 Q 3.9968 8.0236 117.5199 59.2408 28.7806 178.5277 148 N 4.3410 8.1325 116.9066 56.2863 38.3969 176.6088 149 Y 3.9863 7.8624 120.1479 60.6791 39.1072 178.0402 150 L 4.0791 8.3251 120.0601 57.9583 41.6632 179.1986 151 Q 3.9170 8.2511 119.2682 59.1319 28.7131 177.8451 152 A 4.1476 7.7038 119.5474 53.4810 18.6404 178.2057 153 Q 4.3324 7.8911 116.1635 55.6045 29.2422 177.5226 154 I 3.9404 7.4323 121.1388 62.5901 37.4399 176.3294 155 R 4.5953 7.5430 119.6993 53.6682 32.2057 174.7820 156 E 4.0603 8.6229 123.4185 56.0151 30.3379 175.9499 157 E 3.9672 8.5910 123.4124 55.7023 30.3892 176.5854 *158 G 3.7296 8.6093 114.1307 45.8907 0.0000 172.1989 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 1 M 8.16 4.19 0.00 1.44 1.85 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 2 K 8.53 4.08 0.00 1.84 1.68 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.47 7.81 3 G 8.64 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 4 D 8.43 4.68 0.00 2.78 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 5 T 8.92 3.85 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 6 K 8.14 3.80 0.00 1.67 1.72 0.00 1.41 0.00 0.00 1.06 0.00 0.00 2.30 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.84 1.03 7.81 7 V 8.51 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 1.13 0.00 0.00 1.23 0.00 0.00 8 I 7.75 3.77 2.04 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 1.55 0.67 0.91 0.00 0.00 9 N 8.31 4.24 0.00 2.72 2.58 0.00 0.00 7.02 6.99 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 10 Y 8.00 4.11 0.00 3.31 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.59 3.85 0.00 2.00 1.78 1.11 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.51 4.34 0.00 2.76 2.82 0.00 0.00 6.70 7.79 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 13 K 7.98 3.86 0.00 1.77 1.95 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.46 7.81 14 L 8.24 3.81 0.00 1.06 1.17 0.92 0.47 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 15 L 7.81 4.02 0.00 1.68 1.85 1.03 1.10 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 16 G 8.18 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 17 N 8.02 4.38 0.00 2.98 2.92 0.00 0.00 7.05 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.29 4.11 0.00 2.31 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 0.00 2.80 2.85 0.00 19 L 8.07 4.33 0.00 1.90 1.94 0.99 0.90 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 20 V 7.69 3.61 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 0.87 0.00 0.00 0.96 0.00 0.00 21 A 8.06 3.90 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.22 3.76 2.05 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 1.56 0.88 0.89 0.00 0.00 23 N 7.89 4.43 0.00 2.91 2.87 0.00 0.00 6.73 7.90 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 24 Q 8.34 3.83 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.21 2.05 0.00 25 Y 8.49 4.30 0.00 3.26 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 26 F 8.50 3.90 0.00 3.45 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 27 L 8.27 3.94 0.00 1.94 1.58 0.88 0.96 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 28 H 8.29 3.80 0.00 3.44 3.22 0.00 5.70 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 29 A 8.11 4.15 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 30 R 7.59 3.95 0.00 1.72 1.85 0.00 3.19 0.00 0.00 3.03 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.55 0.00 31 M 7.51 3.43 0.00 0.94 1.57 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.16 0.00 32 F 7.41 4.60 0.00 3.33 3.08 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 33 K 8.16 3.95 0.00 1.95 1.80 0.00 1.59 0.00 0.00 1.50 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.42 7.81 34 N 7.72 4.28 0.00 2.71 2.67 0.00 0.00 7.32 8.00 0.00 0.00 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 W 7.82 4.75 0.00 3.73 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.32 3.98 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 0.00 0.00 0.00 37 L 7.91 4.70 0.00 2.15 1.65 1.09 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.97 3.82 0.00 2.02 1.84 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.58 7.81 39 R 8.34 3.98 0.00 2.09 1.99 0.00 3.49 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 40 L 7.83 4.13 0.00 1.72 1.10 1.05 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.16 4.55 0.00 3.15 3.01 0.00 0.00 7.22 8.49 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 42 D 8.04 4.37 0.00 2.73 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 43 V 7.63 3.35 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 -0.66 0.00 0.00 0.68 0.00 0.00 44 E 8.41 3.84 0.00 2.55 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 2.81 2.77 0.00 45 Y 8.44 3.99 0.00 3.02 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 46 H 8.26 3.97 0.00 3.26 3.40 0.00 5.83 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.75 3.54 0.00 1.17 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 1.95 2.09 0.00 48 S 7.62 4.05 0.00 3.93 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 49 I 7.15 3.51 1.71 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.56 0.78 0.00 0.00 50 D 7.70 4.17 0.00 2.72 2.58 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 51 E 8.12 4.01 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.70 0.00 52 M 7.94 4.04 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.53 0.00 53 K 7.99 3.96 0.00 1.83 1.80 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.59 7.81 54 H 8.24 4.08 0.00 3.52 3.43 0.00 5.65 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 55 A 8.23 4.22 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 56 D 8.49 4.30 0.00 2.85 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 57 R 7.90 3.86 0.00 1.81 1.75 0.00 3.13 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 58 Y 7.69 4.33 0.00 3.23 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 59 I 8.15 3.77 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.96 0.95 0.00 0.00 60 E 8.37 4.07 0.00 2.04 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 2.35 2.63 0.00 61 R 8.01 4.04 0.00 2.11 2.24 0.00 3.37 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.86 0.00 62 I 8.45 3.77 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.87 0.95 0.00 0.00 63 L 8.14 4.02 0.00 2.10 1.80 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.10 4.36 0.00 3.03 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 65 L 8.19 4.35 0.00 1.81 1.62 1.04 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.04 3.90 0.00 2.06 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 0.00 2.15 2.25 0.00 67 G 8.16 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.02 4.52 0.00 1.62 1.63 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.42 0.00 2.06 2.02 0.00 3.65 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 2.06 2.11 0.00 70 N 9.60 4.74 0.00 2.59 2.81 0.00 0.00 7.10 8.32 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 71 L 8.28 4.65 0.00 1.63 1.65 0.94 1.01 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 72 Q 8.58 4.09 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 73 D 8.05 4.66 0.00 2.64 2.58 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 74 L 8.26 4.61 0.00 1.52 1.50 0.92 1.11 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 75 G 8.49 3.79 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 0.00 0.00 0.00 76 K 8.31 4.01 0.00 1.72 1.74 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.40 7.81 77 L 8.41 4.07 0.00 1.64 1.56 0.90 0.98 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 78 N 8.80 4.78 0.00 2.63 2.71 0.00 0.00 7.17 8.10 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 79 I 8.17 4.35 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.52 0.93 0.00 0.00 80 G 8.62 4.04 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 0.00 0.00 0.00 81 E 8.79 4.66 0.00 2.01 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 2.30 2.33 0.00 82 D 7.66 4.97 0.00 2.77 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 83 V 8.55 4.03 2.20 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 1.06 0.00 0.00 1.25 0.00 0.00 84 E 8.21 3.81 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 85 E 8.55 3.98 0.00 2.23 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 2.35 2.36 0.00 86 M 8.54 4.08 0.00 2.18 1.73 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.96 0.00 87 L 8.59 4.12 0.00 1.99 1.77 1.28 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.66 3.90 0.00 2.08 1.94 0.00 3.09 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 89 S 8.29 4.11 0.00 4.05 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 90 D 8.17 4.22 0.00 3.05 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 91 L 8.19 3.99 0.00 1.81 1.87 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.96 3.99 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 93 L 7.85 3.93 0.00 1.87 1.82 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.55 4.06 0.00 2.27 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 0.00 2.63 2.73 0.00 95 L 8.18 4.02 0.00 2.02 1.75 0.96 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.35 4.49 0.00 2.92 2.73 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 97 G 8.35 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.34 4.06 1.40 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 0.00 0.00 0.00 99 K 8.10 3.83 0.00 2.07 1.94 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.56 7.81 100 N 8.11 4.41 0.00 3.01 2.90 0.00 0.00 7.11 6.65 0.00 0.00 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 L 8.08 3.98 0.00 1.99 1.73 0.98 0.79 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 0.00 102 R 8.13 3.89 0.00 1.97 1.99 0.00 3.14 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 1.66 1.96 0.00 103 E 8.06 3.86 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 104 A 7.78 2.83 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 7.96 3.73 1.85 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.83 0.91 0.00 0.00 106 G 7.64 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 0.00 107 Y 7.90 4.06 0.00 3.20 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.34 3.82 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 0.00 109 D 7.91 4.04 0.00 2.75 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 0.00 110 S 7.44 4.16 0.00 3.95 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 0.00 111 V 6.78 3.92 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 0.49 0.00 0.00 0.64 0.00 0.00 112 H 6.92 2.93 0.00 3.21 3.33 0.00 5.84 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.37 4.52 0.00 2.63 2.47 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 0.00 114 Y 7.38 4.29 0.00 3.12 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 0.00 115 V 7.87 3.73 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 1.07 0.00 0.00 0.97 0.00 0.00 116 S 8.27 4.16 0.00 4.20 4.04 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 0.00 117 R 8.13 3.88 0.00 1.88 2.17 0.00 3.34 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 118 D 8.41 4.29 0.00 2.94 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 0.00 119 M 8.32 3.96 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 120 M 8.31 4.15 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.79 0.00 121 I 8.13 3.73 2.01 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 1.53 0.87 0.92 0.00 0.00 122 E 8.12 3.96 0.00 2.17 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 2.32 2.34 0.00 123 I 7.63 3.58 1.94 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.80 0.69 0.00 0.00 124 L 8.16 3.98 0.00 1.85 1.83 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.07 3.90 0.00 2.06 2.13 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 126 D 7.94 4.35 0.00 3.04 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.18 3.91 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 128 E 8.58 4.09 0.00 2.31 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 2.34 2.43 0.00 129 G 7.94 3.66 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 0.00 0.00 0.00 130 H 8.11 4.44 0.00 3.63 3.61 0.00 5.65 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 0.00 131 I 8.44 3.82 2.12 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 1.50 0.87 0.97 0.00 0.00 132 D 8.44 4.38 0.00 2.93 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.52 4.14 0.00 3.55 3.52 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 0.00 134 L 8.26 3.69 0.00 2.01 1.75 1.24 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.38 3.90 0.00 2.13 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 2.33 2.51 0.00 136 T 7.82 3.80 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 1.18 0.00 0.00 137 E 7.73 3.78 0.00 1.50 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 138 L 7.83 3.76 0.00 1.75 1.61 0.88 1.27 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 0.00 139 D 8.12 4.33 0.00 2.77 2.67 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 0.00 140 L 8.05 3.98 0.00 1.89 1.84 1.01 1.06 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 0.00 141 I 7.51 3.38 1.69 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.07 0.69 0.00 0.00 142 Q 7.40 3.93 0.00 1.99 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.97 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 143 K 8.02 4.13 0.00 1.76 1.85 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.66 7.81 144 M 8.32 4.38 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.83 0.00 145 G 7.54 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.34 3.99 0.00 1.74 1.66 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 8.02 4.00 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 148 N 8.13 4.34 0.00 2.96 2.88 0.00 0.00 6.69 7.48 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 0.00 149 Y 7.86 3.99 0.00 3.07 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 0.00 150 L 8.33 4.08 0.00 2.07 1.70 1.06 1.04 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 0.00 151 Q 8.25 3.92 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 152 A 7.70 4.15 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 7.89 4.33 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.75 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 154 I 7.43 3.94 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.86 0.91 0.00 0.00 155 R 7.54 4.60 0.00 1.70 1.75 0.00 3.23 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 156 E 8.62 4.06 0.00 2.13 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 2.26 2.28 0.00 157 E 8.59 3.97 0.00 1.95 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 2.29 2.30 0.00 *158 G 8.61 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.