NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1420 8.1627 120.2816 54.8195 33.2546 173.9015 2 K 3.9265 8.4420 128.0111 55.7888 32.5007 175.1047 3 G 3.9513 8.7252 115.9791 45.2414 0.0000 171.4668 4 D 4.5815 8.5002 119.6606 54.3989 42.0654 177.2197 5 T 3.8793 8.7910 122.6124 66.7748 68.6234 176.8789 6 K 3.8574 8.1692 121.0306 59.0675 32.2071 178.8692 7 V 3.9067 8.6312 119.0355 66.1919 31.4357 177.8826 8 I 3.7511 7.6977 119.1976 64.6987 36.8833 178.1149 9 N 4.2589 8.2120 117.0395 56.4082 38.2945 177.0664 10 Y 4.0915 7.9661 118.0363 61.1503 38.0225 178.6304 11 L 3.9163 8.4717 120.2449 57.9502 41.6372 179.4415 12 N 4.3529 8.5142 116.7833 56.0550 38.4244 177.4585 13 K 3.8890 8.1931 121.3665 59.3037 32.2901 178.9240 14 L 3.8023 8.1617 119.7264 57.5586 41.3830 178.9464 15 L 3.9998 7.7938 120.7705 58.3419 42.0318 179.2530 16 G 3.6346 8.2155 105.6487 47.9710 0.0000 175.3437 17 N 4.3869 8.0589 118.7565 56.1616 38.5806 177.4266 18 E 4.1125 8.2363 120.0101 59.3682 29.4541 179.3025 19 L 4.0437 8.2880 119.4158 57.6990 41.5923 179.7488 20 V 3.5694 7.7516 117.5620 66.0675 31.5019 177.9461 21 A 3.8295 8.0913 120.4193 55.0102 18.1923 179.3704 22 I 3.7591 8.3584 118.7263 64.9680 37.2849 178.4010 23 N 4.3983 7.9130 117.0440 56.3768 38.4006 177.4444 24 Q 3.8496 8.2786 121.1674 59.3059 29.0925 177.8207 25 Y 4.3577 8.3703 118.3118 60.9493 37.8875 178.2495 26 F 3.8422 8.5168 121.6327 61.0678 39.5371 176.8088 27 L 3.9408 8.1387 119.9372 58.5817 41.8647 178.4121 28 H 3.7798 8.1677 115.7609 58.8285 28.5938 177.2355 29 A 4.1504 8.3123 122.6680 55.6791 18.1449 179.8922 30 R 3.8305 7.7853 115.5243 58.6217 30.0661 179.2496 31 M 3.4295 7.9141 119.4705 58.1194 31.8188 178.4304 32 F 4.5618 7.4019 117.8634 60.6044 39.1321 177.5566 33 K 3.8942 8.2840 119.2774 59.5666 31.7522 178.1640 34 N 4.2786 7.9087 115.8910 56.5855 39.0300 176.4766 35 W 4.7384 7.9512 117.6829 57.6361 29.3698 177.2089 36 G 3.9825 8.3508 108.0878 46.1813 0.0000 174.2490 37 L 4.6677 8.0734 122.0553 52.7010 38.2298 176.9950 38 K 3.8262 7.9531 122.9655 59.8804 32.6588 177.5427 39 R 3.9414 8.3217 118.9971 59.1232 29.9120 178.3327 40 L 4.1017 7.8839 118.8111 57.0294 41.5047 178.8290 41 N 4.5271 8.1428 116.8490 56.8318 39.0626 176.3625 42 D 4.3329 8.0057 120.2584 57.4229 40.9568 179.1503 43 V 3.4448 7.6637 118.2068 66.1277 31.4949 177.9977 44 E 3.9041 8.4878 118.5577 59.2629 29.2705 178.6531 45 Y 3.8578 8.2136 119.8254 61.1703 38.7890 178.1317 46 H 4.1973 8.3312 116.4702 58.3549 28.6876 177.5221 47 E 3.6953 7.8061 120.7916 58.5253 29.2116 178.7677 48 S 4.1112 7.8651 113.5388 61.6146 62.4132 176.2903 49 I 3.5781 7.3428 122.2399 64.3558 36.7906 177.9588 50 D 4.2589 7.6775 119.5189 57.6971 40.6919 179.0191 51 E 4.1974 8.1755 118.7084 59.4468 29.3561 179.3615 52 M 4.0805 8.0557 118.9827 58.3680 32.0212 178.8498 53 K 3.9432 8.1806 118.6829 59.6748 32.1805 179.1322 54 H 4.0882 8.1596 116.1989 58.7825 28.5942 177.4723 55 A 4.2313 8.4702 122.9839 55.4132 18.1529 179.0411 56 D 4.2975 8.2744 116.3585 57.7365 41.2840 178.7501 57 R 3.8759 7.9144 118.4036 59.4456 30.0204 178.7167 58 Y 4.3012 7.8686 116.4573 61.1910 37.9078 178.6028 59 I 3.8048 8.2490 121.0798 64.6119 37.2275 178.4427 60 E 4.0869 8.4969 119.4968 59.0842 29.2322 179.4841 61 R 4.0163 8.0518 118.9272 59.5480 30.1875 178.3468 62 I 3.7631 8.3967 119.9698 64.6946 37.1818 178.3772 63 L 4.0167 8.0717 119.5162 57.7333 41.2089 179.4104 64 F 4.3624 8.1539 119.7007 61.2231 39.7015 176.5441 65 L 4.4110 8.2621 117.7514 54.0970 41.1043 177.2070 66 E 3.9099 7.9998 117.6196 57.4236 27.0114 174.4314 67 G 3.9765 8.1045 108.6679 43.9888 0.0000 173.5938 68 L 4.5340 8.0218 119.1641 52.0043 42.0539 175.0840 69 P 4.3912 0.0000 0.0000 62.5328 31.7803 175.9872 70 N 4.7307 9.4843 122.0719 52.3922 38.8807 173.9309 71 L 4.6296 8.3429 124.2066 54.5552 42.5155 177.4267 72 Q 4.1244 8.5026 121.8659 58.0310 29.3776 175.8529 73 D 4.6503 8.0635 117.3814 52.8556 41.8015 175.2148 74 L 4.5666 8.3105 125.8709 52.7479 43.9366 176.4171 75 G 3.8076 8.4314 115.4060 44.6286 0.0000 171.9041 76 K 4.0833 8.3069 120.7395 55.8115 32.3799 176.6355 77 L 4.1050 8.3349 126.7355 54.4943 42.2739 176.3046 78 N 4.8088 8.8521 120.5915 52.0160 40.1881 174.3201 79 I 3.8523 8.5180 126.5262 64.0272 37.7264 178.2311 80 G 4.1637 8.2441 102.2209 45.8254 0.0000 172.5705 81 E 4.7920 8.5839 115.8600 55.4430 31.8990 176.3200 82 D 5.0206 7.7238 117.7321 50.3721 43.9733 175.9457 83 V 3.9964 8.5398 119.0257 66.7059 31.3250 177.4482 84 E 3.8675 8.2521 117.9047 59.5611 29.4925 178.3114 85 E 3.9996 8.5490 119.2610 59.5478 29.6435 178.7093 86 M 4.1212 8.3285 117.1561 58.2655 31.3554 178.6084 87 L 4.1384 8.4996 120.5634 57.5988 41.7401 179.4109 88 R 3.8882 8.5153 119.1602 59.4138 30.0585 178.5846 89 S 4.0988 8.1789 113.0827 61.3147 62.4226 175.7771 90 D 4.2319 8.1644 121.7018 57.1762 40.5939 178.4660 91 L 3.9964 8.2364 120.6498 58.2989 42.1493 178.8477 92 A 4.0254 8.2325 120.7822 55.1458 18.2483 179.4100 93 L 3.9325 7.9037 118.6453 58.2588 42.1081 179.0732 94 E 4.0641 8.3599 118.6181 59.3680 29.5456 179.2088 95 L 4.0361 8.0887 119.0261 58.1093 41.8290 179.4450 96 D 4.5252 8.3334 118.8891 57.1785 40.6971 179.0831 97 G 3.6491 8.3250 106.2832 47.5375 0.0000 175.7644 98 A 4.0472 8.5137 123.5939 54.6356 18.4442 179.5335 99 K 3.8404 7.9784 117.8739 59.9478 32.2978 178.7083 100 N 4.3859 8.0600 116.2818 56.3548 38.4068 177.3750 101 L 3.9910 8.1390 120.3427 57.8708 41.5776 179.7987 102 R 3.8973 8.2208 118.1293 59.1246 30.1167 178.7492 103 E 3.8512 8.0915 118.6285 59.3017 29.6069 178.7874 104 A 2.8760 7.8515 120.8176 54.7066 18.4326 179.6530 105 I 3.7103 7.9180 118.6406 64.4563 36.9438 178.8864 106 G 3.5993 7.5780 105.5027 47.8952 0.0000 174.8868 107 Y 4.1657 8.0682 122.6100 59.7249 38.8553 177.4120 108 A 3.8189 8.2184 122.0547 55.2258 18.4654 179.0433 109 D 4.0812 7.8781 116.3072 57.4595 41.3317 178.5592 110 S 4.1408 7.7090 113.9871 60.1650 62.9500 175.6601 111 V 4.0727 6.8284 113.8012 60.7544 31.6195 175.6784 112 H 2.8682 7.0271 114.0892 56.5993 27.0770 176.4577 113 D 4.5418 7.4048 121.1680 53.5535 37.5623 176.3020 114 Y 4.3312 7.4154 121.3240 60.6131 38.4016 178.2929 115 V 3.7346 7.8733 119.9979 64.7387 31.8279 178.3065 116 S 4.1619 8.3025 115.6989 61.4565 62.6125 176.7038 117 R 3.8973 8.1153 121.1518 59.4852 29.9682 178.1094 118 D 4.3043 8.2689 117.8764 57.5238 41.3209 177.7071 119 M 3.9931 8.3380 119.0282 59.1162 32.1361 178.1784 120 M 4.1541 8.2150 118.7554 58.3651 32.0857 178.8448 121 I 3.7263 8.1859 120.5012 64.2383 37.3242 178.1961 122 E 3.9497 8.0748 119.1644 59.5926 29.2515 179.5824 123 I 3.5629 7.5546 119.5934 64.1191 37.1030 178.1401 124 L 3.9315 8.1264 121.4147 58.1760 41.9862 179.0286 125 R 3.9036 8.0022 118.5852 59.6189 30.0613 178.2620 126 D 4.3647 7.9661 118.4456 57.3428 40.7751 178.6879 127 E 3.9412 8.3114 119.3553 59.3467 29.4746 178.9249 128 E 4.2114 8.7831 119.9923 59.1218 29.6154 179.1574 129 G 3.6439 7.9648 105.6030 48.0808 0.0000 175.4471 130 H 4.5622 8.1092 118.7157 58.6628 28.6695 177.7602 131 I 3.8000 8.3784 122.0451 64.5991 37.0193 177.7330 132 D 4.3606 8.3040 118.6204 57.3739 41.0116 178.0481 133 F 4.2001 8.3418 120.9020 61.3801 39.3823 177.0110 134 L 3.7247 8.2082 118.3855 57.8490 41.5035 179.2608 135 E 3.9149 8.3682 118.6069 59.7752 29.3352 179.6930 136 T 3.8055 7.9027 115.4197 66.6284 68.5664 176.3595 137 E 3.8702 7.7870 120.3531 59.5794 29.1520 179.5168 138 L 3.8061 7.8778 118.8264 57.9478 41.5622 179.4560 139 D 4.3844 8.1617 118.7524 57.1784 40.6344 178.7298 140 L 3.9727 8.0733 119.7403 57.8165 41.6761 179.4307 141 I 3.3993 7.4550 119.6507 64.5768 36.7511 178.5227 142 Q 3.9772 7.3774 116.2235 58.7751 28.6425 178.4964 143 K 4.1508 8.2239 119.2275 58.8058 32.2658 178.3958 144 M 4.4144 8.3403 114.6533 53.8727 32.5780 177.0728 145 G 4.1222 7.5812 105.9385 46.0253 0.0000 174.4086 146 L 3.9682 8.4355 121.8060 58.0369 42.1573 179.3615 147 Q 3.9977 8.0799 117.4284 59.3259 28.8754 178.6800 148 N 4.3762 8.1467 116.7880 56.3157 38.3744 176.7357 149 Y 3.9952 8.0053 120.2032 60.5989 39.1482 177.7652 150 L 4.0627 8.4270 120.3185 57.9665 41.6616 179.2414 151 Q 3.8907 8.1090 119.1499 59.1115 28.7189 177.8437 152 A 4.1158 7.5363 119.2643 53.5534 18.6991 178.2918 153 Q 4.2157 7.8149 116.0217 55.8473 29.0673 177.7223 154 I 3.9183 7.2201 121.0717 63.1131 37.4060 176.6023 155 R 4.6298 7.5170 117.4820 53.8976 31.9504 175.9295 156 E 4.1086 8.4082 119.1331 56.0245 30.4578 175.8221 157 E 4.0969 8.5000 121.8948 55.2731 30.4999 176.5296 *158 G 3.7272 8.5981 114.1331 45.8882 0.0000 172.1821 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 4.14 0.00 1.49 1.80 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.43 0.00 2 K 8.44 3.93 0.00 1.84 1.69 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.47 7.81 3 G 8.73 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.50 4.58 0.00 2.77 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.79 3.88 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 1.18 0.00 0.00 6 K 8.17 3.86 0.00 1.71 1.93 0.00 1.44 0.00 0.00 1.07 0.00 0.00 2.51 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.71 0.99 7.81 7 V 8.63 3.91 2.37 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 1.14 0.00 0.00 1.20 0.00 0.00 8 I 7.70 3.75 2.04 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 1.55 0.57 0.91 0.00 0.00 9 N 8.21 4.26 0.00 2.58 2.67 0.00 0.00 7.07 6.79 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 10 Y 7.97 4.09 0.00 3.23 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 11 L 8.47 3.92 0.00 2.01 1.77 1.09 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.51 4.35 0.00 2.86 2.82 0.00 0.00 6.67 7.34 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 13 K 8.19 3.89 0.00 1.74 2.01 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.45 1.45 7.81 14 L 8.16 3.80 0.00 0.94 1.16 0.93 0.46 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 15 L 7.79 4.00 0.00 1.68 1.85 1.02 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 8.22 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 4.39 0.00 2.97 2.91 0.00 0.00 7.04 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 18 E 8.24 4.11 0.00 2.26 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 2.77 2.89 0.00 19 L 8.29 4.04 0.00 1.82 1.72 0.95 1.02 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 20 V 7.75 3.57 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 1.05 0.00 0.00 1.00 0.00 0.00 21 A 8.09 3.83 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 22 I 8.36 3.76 2.06 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 1.57 1.10 0.90 0.00 0.00 23 N 7.91 4.40 0.00 2.84 2.86 0.00 0.00 6.76 7.61 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 24 Q 8.28 3.85 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.19 2.11 0.00 25 Y 8.37 4.36 0.00 3.19 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 26 F 8.52 3.84 0.00 3.42 3.10 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 27 L 8.14 3.94 0.00 1.96 1.59 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.17 3.78 0.00 3.50 3.28 0.00 5.71 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 8.31 4.15 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 30 R 7.79 3.83 0.00 1.75 1.89 0.00 3.30 0.00 0.00 3.09 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.76 0.00 31 M 7.91 3.43 0.00 0.84 1.51 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.14 0.00 32 F 7.40 4.56 0.00 3.30 3.22 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 33 K 8.28 3.89 0.00 2.06 1.93 0.00 1.55 0.00 0.00 1.48 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.43 7.81 34 N 7.91 4.28 0.00 2.68 2.67 0.00 0.00 7.34 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 35 W 7.95 4.74 0.00 3.71 3.18 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 36 G 8.35 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 8.07 4.67 0.00 2.16 1.64 1.06 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.95 3.83 0.00 2.02 1.82 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.57 7.81 39 R 8.32 3.94 0.00 2.08 1.96 0.00 3.47 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 40 L 7.88 4.10 0.00 1.65 1.02 1.02 0.16 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 41 N 8.14 4.53 0.00 3.09 3.00 0.00 0.00 7.24 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 8.01 4.33 0.00 2.88 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.66 3.44 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 -0.07 0.00 0.00 0.86 0.00 0.00 44 E 8.49 3.90 0.00 2.27 2.35 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 2.65 3.08 0.00 45 Y 8.21 3.86 0.00 2.93 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 46 H 8.33 4.20 0.00 3.28 3.26 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.81 3.70 0.00 1.21 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 1.75 1.90 0.00 48 S 7.87 4.11 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 49 I 7.34 3.58 1.71 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.45 0.85 0.00 0.00 50 D 7.68 4.26 0.00 2.76 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 51 E 8.18 4.20 0.00 2.20 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 0.00 2.74 2.82 0.00 52 M 8.06 4.08 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.56 0.00 53 K 8.18 3.94 0.00 1.86 1.82 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.65 7.81 54 H 8.16 4.09 0.00 3.54 3.34 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 8.47 4.23 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 8.27 4.30 0.00 2.91 2.86 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 57 R 7.91 3.88 0.00 1.83 1.78 0.00 3.13 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 58 Y 7.87 4.30 0.00 3.23 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.25 3.80 2.06 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 0.93 0.95 0.00 0.00 60 E 8.50 4.09 0.00 2.03 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 2.50 0.00 61 R 8.05 4.02 0.00 2.13 2.21 0.00 3.36 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 1.76 1.86 0.00 62 I 8.40 3.76 2.06 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 0.78 1.00 0.00 0.00 63 L 8.07 4.02 0.00 2.11 1.80 0.99 1.00 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 64 F 8.15 4.36 0.00 2.98 3.35 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 65 L 8.26 4.41 0.00 1.68 1.62 1.03 0.66 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 8.00 3.91 0.00 2.08 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 0.00 2.15 2.26 0.00 67 G 8.10 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 68 L 8.02 4.53 0.00 1.60 1.62 0.92 0.98 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 69 P 0.00 4.39 0.00 2.06 2.02 0.00 3.66 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 9.48 4.73 0.00 2.59 2.79 0.00 0.00 7.07 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 71 L 8.34 4.63 0.00 1.63 1.64 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.50 4.12 0.00 1.98 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.58 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 D 8.06 4.65 0.00 2.68 2.57 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 74 L 8.31 4.57 0.00 1.52 1.51 0.91 1.07 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 75 G 8.43 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 0.00 0.00 0.00 76 K 8.31 4.08 0.00 1.72 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.33 4.11 0.00 1.64 1.55 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.85 4.81 0.00 2.61 2.69 0.00 0.00 7.20 7.46 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 79 I 8.52 3.85 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.92 0.92 0.00 0.00 80 G 8.24 4.16 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 81 E 8.58 4.79 0.00 1.99 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 2.26 2.30 0.00 82 D 7.72 5.02 0.00 2.78 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 83 V 8.54 4.00 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 1.26 0.00 0.00 1.25 0.00 0.00 84 E 8.25 3.87 0.00 2.04 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 2.34 2.29 0.00 85 E 8.55 4.00 0.00 2.31 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 2.34 2.35 0.00 86 M 8.33 4.12 0.00 2.30 1.75 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.95 0.00 87 L 8.50 4.14 0.00 2.05 1.79 1.23 0.66 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 88 R 8.52 3.89 0.00 2.11 1.94 0.00 3.09 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 89 S 8.18 4.10 0.00 4.04 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 90 D 8.16 4.23 0.00 3.11 2.78 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 91 L 8.24 4.00 0.00 1.80 1.88 0.97 1.01 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 92 A 8.23 4.03 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 93 L 7.90 3.93 0.00 1.88 1.79 0.90 0.78 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 94 E 8.36 4.06 0.00 2.27 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 2.60 2.70 0.00 95 L 8.09 4.04 0.00 2.05 1.74 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.33 4.53 0.00 2.85 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 8.33 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.51 4.05 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 99 K 7.98 3.84 0.00 2.06 2.01 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 100 N 8.06 4.39 0.00 3.00 2.91 0.00 0.00 7.12 6.20 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 0.00 101 L 8.14 3.99 0.00 1.98 1.74 0.98 0.89 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 0.00 102 R 8.22 3.90 0.00 1.98 1.98 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.97 0.00 103 E 8.09 3.85 0.00 2.22 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 0.00 2.36 2.37 0.00 104 A 7.85 2.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 7.92 3.71 1.98 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 1.20 0.91 0.00 0.00 106 G 7.58 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 0.00 107 Y 8.07 4.17 0.00 3.16 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 0.00 108 A 8.22 3.82 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 0.00 109 D 7.88 4.08 0.00 2.88 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 0.00 110 S 7.71 4.14 0.00 3.99 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 0.00 111 V 6.83 4.07 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 0.47 0.00 0.00 0.68 0.00 0.00 112 H 7.03 2.87 0.00 3.19 3.32 0.00 5.84 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.40 4.54 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 7.42 4.33 0.00 3.11 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.87 3.73 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 1.03 0.00 0.00 0.98 0.00 0.00 116 S 8.30 4.16 0.00 4.21 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 0.00 117 R 8.12 3.90 0.00 1.91 2.21 0.00 3.33 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 118 D 8.27 4.30 0.00 2.98 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 0.00 119 M 8.34 3.99 0.00 2.22 2.03 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 2.47 2.45 0.00 120 M 8.21 4.15 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.81 0.00 121 I 8.19 3.73 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 1.53 0.65 0.91 0.00 0.00 122 E 8.07 3.95 0.00 2.28 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 2.35 0.00 123 I 7.55 3.56 1.92 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 1.03 0.49 0.75 0.00 0.00 124 L 8.13 3.93 0.00 1.86 1.87 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.00 3.90 0.00 2.04 2.11 0.00 3.15 0.00 0.00 3.16 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 7.97 4.36 0.00 2.99 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 0.00 127 E 8.31 3.94 0.00 2.13 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 0.00 2.61 2.51 0.00 128 E 8.78 4.21 0.00 2.24 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 2.33 2.36 0.00 129 G 7.96 3.64 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 0.00 0.00 0.00 0.00 130 H 8.11 4.56 0.00 3.53 3.59 0.00 5.66 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 8.38 3.80 2.10 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 1.49 0.87 0.96 0.00 0.00 132 D 8.30 4.36 0.00 2.95 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 0.00 133 F 8.34 4.20 0.00 3.26 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 0.00 134 L 8.21 3.72 0.00 1.95 1.73 1.27 1.14 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 0.00 135 E 8.37 3.91 0.00 2.13 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 2.34 2.50 0.00 136 T 7.90 3.81 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 1.20 0.00 0.00 137 E 7.79 3.87 0.00 1.77 1.85 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 1.47 1.76 0.00 138 L 7.88 3.81 0.00 1.72 1.63 0.90 1.16 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 0.00 139 D 8.16 4.38 0.00 2.78 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 0.00 140 L 8.07 3.97 0.00 1.90 1.86 1.00 0.83 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 0.00 141 I 7.46 3.40 1.73 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 0.02 0.72 0.00 0.00 142 Q 7.38 3.98 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.98 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 143 K 8.22 4.15 0.00 1.71 1.87 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.63 7.81 144 M 8.34 4.41 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.85 0.00 145 G 7.58 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 0.00 0.00 0.00 146 L 8.44 3.97 0.00 1.75 1.67 0.95 0.72 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 0.00 147 Q 8.08 4.00 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 148 N 8.15 4.38 0.00 2.98 2.89 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 8.01 4.00 0.00 3.02 3.18 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 0.00 150 L 8.43 4.06 0.00 2.02 1.69 1.06 0.87 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 8.11 3.89 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 152 A 7.54 4.12 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 0.00 153 Q 7.81 4.22 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.76 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 154 I 7.22 3.92 1.96 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 1.31 0.86 0.90 0.00 0.00 155 R 7.52 4.63 0.00 1.76 1.81 0.00 3.19 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 156 E 8.41 4.11 0.00 2.06 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 2.26 2.28 0.00 157 E 8.50 4.10 0.00 1.94 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 2.25 2.29 0.00 *158 G 8.60 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.