NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.3758 8.0244 121.0450 61.1498 39.2770 174.3435 3 V 4.2618 8.7909 126.9870 60.2817 34.7811 172.1635 4 Q 4.6877 8.3484 126.2886 55.1125 30.6985 175.1922 5 N 4.7686 9.0316 123.7380 51.4956 38.9714 175.7912 6 L 4.0014 8.3741 117.3724 58.0579 41.5762 178.5536 7 Q 4.1250 8.1371 114.6743 56.1680 28.7460 176.6812 8 G 3.9162 8.1506 106.5392 45.4784 0.0000 173.3195 9 Q 4.6291 8.4573 118.9686 54.3881 31.3270 174.6936 10 M 4.8745 8.4900 122.3274 54.7352 33.0778 175.7999 11 V 4.6010 8.7333 116.6830 59.1717 36.7480 174.3939 12 H 4.6141 8.7830 121.5331 56.3938 30.2642 174.2340 13 Q 4.3806 8.1397 124.6601 53.5929 31.8802 174.7768 14 A 4.2809 8.2167 126.3501 51.4182 19.1903 177.1129 15 I 3.5850 8.4158 120.2698 61.8403 38.3904 176.6431 16 S 4.6217 8.3568 122.0644 56.6720 65.8846 173.3128 17 P 4.2407 0.0000 0.0000 66.0710 31.0696 179.1152 18 R 3.9816 7.9708 116.0923 59.5106 29.9212 179.1379 19 T 3.8726 7.9409 115.4441 66.7222 68.4177 176.7932 20 L 4.1489 8.2429 121.1799 57.7798 41.6324 179.0582 21 N 4.2946 8.7683 117.2681 56.6620 38.8061 176.7978 22 A 4.0236 8.0631 122.1240 54.8045 18.4523 179.2845 23 W 4.4549 8.6022 127.2499 60.7132 30.8091 178.0486 24 V 3.2683 8.0961 118.3916 66.1640 30.9063 178.1082 25 K 3.9241 7.9830 117.8822 59.2978 31.7431 179.5180 26 V 3.4241 7.9245 118.6797 65.9356 31.5166 178.0566 27 V 2.8872 7.2897 118.2558 66.0196 30.9460 177.8485 28 E 3.8187 8.1778 117.1927 58.9978 29.3095 178.3072 29 E 4.2020 7.8184 118.0315 57.2622 30.3458 176.7597 30 K 4.3493 8.0968 115.6458 55.4228 34.3839 175.8376 31 A 3.4045 7.3094 122.8965 51.7687 18.9534 177.9416 32 F 4.5937 5.9852 122.2090 56.1991 39.7713 175.2780 33 S 4.6058 8.1543 116.4341 57.4910 64.2295 173.7574 34 P 4.2435 0.0000 0.0000 66.0091 31.1777 177.6243 35 E 4.3291 8.0657 115.4491 57.0254 29.6519 178.3835 36 V 3.6600 8.1414 119.5462 65.3873 31.4466 178.5365 37 I 3.8895 7.8014 120.4614 64.0301 37.0492 176.5137 38 P 4.3474 0.0000 0.0000 65.7720 30.9974 178.6639 39 M 4.1208 7.6821 115.5825 58.2034 32.0261 178.2947 40 F 4.0161 8.8427 121.2545 61.4903 39.3119 177.2676 41 S 3.8345 8.3276 113.4912 61.5869 62.9588 176.3792 42 A 4.0578 7.9009 123.3113 55.1094 17.9528 179.7432 43 L 3.9925 7.9708 116.9297 57.0341 41.9065 178.7345 44 S 4.2549 7.2658 112.9517 56.7429 63.0562 173.3422 45 E 3.9072 7.1735 124.0270 58.1413 29.5234 177.3700 46 G 3.8419 8.8730 113.0564 45.4198 0.0000 173.4130 47 A 4.1918 7.7136 123.8959 52.1207 19.0147 177.9178 48 T 4.2547 8.5938 112.8706 60.3522 71.2752 174.2407 49 P 4.4535 0.0000 0.0000 66.1688 31.2163 178.8746 50 Q 4.0546 8.0902 116.1130 59.1504 28.6870 178.5131 51 D 4.3765 8.2020 119.8729 57.3255 40.7844 178.8374 52 L 3.9350 8.2393 119.7686 57.8975 41.5931 179.3689 53 N 4.4699 8.7600 116.7843 56.3384 38.1823 177.6791 54 T 3.9303 7.6795 116.7688 66.9219 68.7623 176.1020 55 M 4.3084 8.1266 120.5298 58.5893 31.4270 178.9297 56 L 4.2768 8.3216 119.1566 57.4390 41.5584 178.2421 57 N 4.9977 8.2283 114.0650 53.5498 38.7043 176.0445 58 T 4.6505 7.4748 110.1224 60.4135 69.3616 174.2790 59 V 3.7788 7.3006 121.7786 62.5024 31.8707 175.4586 60 G 3.9070 8.6294 116.9218 45.4228 0.0000 174.7071 61 G 3.7054 8.5729 112.0165 46.0143 0.0000 172.4938 62 H 4.2563 8.6654 110.0405 56.9384 26.7682 176.9344 63 Q 4.0404 8.2407 119.0443 58.9766 28.8249 177.9085 64 A 3.9926 8.1291 121.1057 55.2303 18.3989 179.3603 65 A 3.9803 8.1228 118.6689 55.7344 18.5600 179.6523 66 M 3.9901 8.3733 117.1133 58.1289 32.0110 178.8503 67 Q 3.9736 8.3425 120.2983 59.3461 29.1786 177.9278 68 M 4.2045 8.1027 119.8056 58.2951 31.8957 178.4684 69 L 3.8630 8.0698 120.5862 58.0641 42.2809 179.0030 70 K 4.0089 8.0731 119.5875 59.4861 32.0922 178.6700 71 E 3.9734 8.3111 118.9650 59.5927 29.2801 179.4232 72 T 3.8054 8.0930 115.8573 66.6904 68.4536 176.7132 73 I 3.7827 8.1221 122.0172 64.5915 37.2428 178.2188 74 N 4.2602 8.2567 117.2452 56.2283 38.2357 177.1677 75 E 3.8257 8.0797 120.6841 59.3256 29.7483 178.7453 76 E 3.4845 8.1312 118.7044 58.8565 29.2125 179.2254 77 A 3.4807 7.5325 120.9493 54.8767 18.4641 179.5553 78 A 3.9274 7.7140 119.1451 55.4054 18.4472 179.7933 79 E 3.9219 8.3672 117.4121 58.9112 29.5859 179.1966 80 W 4.2038 8.5000 129.0329 60.7746 30.5584 177.7794 81 D 4.4441 8.0540 117.3264 57.3757 40.3319 178.4029 82 R 3.9881 7.8742 118.1768 59.1018 30.2274 177.8003 83 L 4.2816 7.7304 115.5934 54.7710 43.3661 176.7068 84 H 4.5644 7.2490 115.3608 52.8362 28.5918 171.5635 85 P 4.3345 0.0000 0.0000 62.6609 32.2761 176.6185 86 V 4.4674 7.8146 113.8739 59.4044 35.4309 174.9568 87 H 4.5020 8.4336 118.5809 55.3653 29.2923 175.6537 88 A 4.0772 8.6587 123.4611 55.5326 18.1328 177.4040 89 G 4.0700 7.4193 101.6829 44.1491 0.0000 170.9117 90 P 4.4333 0.0000 0.0000 62.6524 31.6201 176.8132 91 I 3.8874 8.3669 114.8324 63.3411 38.1848 176.2044 92 E 4.3471 7.8844 120.7744 54.3320 29.6817 174.5106 93 P 3.9812 0.0000 0.0000 66.6429 31.9083 176.5579 94 G 3.9524 7.7724 106.7092 45.6483 0.0000 173.2624 95 Q 4.0801 7.5732 121.1044 55.2694 29.5886 175.5795 96 M 4.0827 8.5957 124.3305 55.4096 32.5714 176.3101 97 R 4.2323 8.5461 122.8725 56.0916 30.3542 176.1623 98 E 4.2331 8.5998 119.7783 55.4110 30.2783 175.0928 99 P 4.0205 0.0000 0.0000 62.4488 32.1022 176.8612 100 R 4.7458 9.0762 121.3064 54.4589 33.2561 177.7911 101 G 3.9056 9.4941 106.8803 48.5577 0.0000 176.0807 102 S 4.1925 8.0484 115.7429 60.7414 63.1981 176.2102 103 D 4.3455 8.0998 123.2273 57.3529 40.3978 178.6167 104 I 3.2000 7.2482 118.3372 64.0366 37.0881 176.9602 105 A 2.5800 7.6878 120.8138 52.1733 18.3951 178.2650 106 G 3.9414 7.6345 103.7722 45.3204 0.0000 174.8220 107 T 4.1729 7.6660 110.6009 63.1424 69.2449 175.6463 108 T 4.6123 7.9364 109.3656 60.7792 69.3445 173.2958 109 S 5.0620 7.8289 116.8328 56.8585 65.6628 173.7238 110 T 4.2053 8.5830 113.4577 60.5176 71.1259 175.6620 111 L 3.8378 8.3441 122.6919 58.5403 41.8557 178.5389 112 Q 3.8494 8.0711 118.6561 59.4961 28.7981 178.4900 113 E 3.3098 7.8005 119.0272 59.1187 29.3172 179.2655 114 Q 4.2710 7.9596 118.1046 59.3017 28.8432 179.1733 115 I 3.7426 7.9843 121.0837 64.0828 36.6997 178.5900 116 G 3.5156 8.0719 106.9297 47.6449 0.0000 175.8161 117 W 4.3676 7.9169 121.4183 59.8689 28.9601 178.7472 118 M 4.1660 8.3268 117.5213 57.5451 31.3715 177.8712 119 T 4.5152 7.4784 107.2547 60.6355 69.3587 173.9509 120 H 4.1724 7.2678 120.9756 56.6537 30.4373 173.6901 121 N 4.7379 7.9303 121.3502 50.9019 39.4716 172.3348 122 P 4.6137 0.0000 0.0000 61.1013 32.5988 174.5380 123 P 4.4849 0.0000 0.0000 62.4962 31.6330 176.8839 124 I 4.3312 8.3800 123.9346 59.3465 37.1323 174.6355 125 P 4.6019 0.0000 0.0000 61.5875 28.6678 176.7529 126 V 3.3399 7.6932 118.8013 64.7589 31.8543 178.1166 127 G 3.6482 7.8021 106.5899 47.3345 0.0000 175.4842 128 E 3.8916 7.9985 120.8578 58.9636 29.5839 179.4457 129 I 3.4051 7.7127 120.0302 64.3933 37.0200 177.8629 130 Y 3.3679 7.4946 120.3488 60.3946 38.5572 178.0468 131 K 3.8709 8.1788 119.7351 59.4640 32.0161 179.2089 132 R 3.9610 7.8130 118.9031 59.2763 30.0575 178.6177 133 W 4.4295 8.0056 118.5251 59.9131 29.0272 178.5801 134 I 3.6371 8.1158 119.9894 64.5078 36.4367 178.6400 135 I 3.7497 8.3157 121.0409 64.0530 36.5537 178.1753 136 L 4.0620 8.4611 121.9001 58.0808 41.9013 179.3444 137 G 3.6107 8.1991 105.5727 47.8569 0.0000 175.6481 138 L 3.8613 8.1891 122.1093 57.5355 41.3783 179.4029 139 N 4.4141 8.2612 115.4774 55.6006 38.3589 177.4485 140 K 4.1537 7.6785 119.1864 59.5304 32.2174 179.4305 141 I 3.8097 7.7767 120.0450 64.3415 36.8817 178.8641 142 V 4.5606 8.0524 114.7394 63.9096 31.0709 178.6535 143 R 3.9725 7.6190 116.8562 59.2050 29.9388 178.1278 144 M 4.2294 8.2448 116.8149 56.5418 32.1323 175.9367 145 Y 4.3302 8.0882 122.3943 58.0967 38.9171 175.1269 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 2 I 8.02 4.38 1.86 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 1.22 1.40 0.90 0.00 0.00 3 V 8.79 4.26 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 0.92 0.00 0.00 0.90 0.00 0.00 4 Q 8.35 4.69 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 5 N 9.03 4.77 0.00 2.93 2.95 0.00 0.00 6.57 6.69 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 6 L 8.37 4.00 0.00 1.63 1.78 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.14 4.12 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.97 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 8 G 8.15 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 9 Q 8.46 4.63 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.57 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 10 M 8.49 4.87 0.00 1.89 2.00 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 2.55 2.50 0.00 11 V 8.73 4.60 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 0.66 0.00 0.00 0.99 0.00 0.00 12 H 8.78 4.61 0.00 3.12 3.20 0.00 5.86 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 13 Q 8.14 4.38 0.00 1.90 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.18 2.32 0.00 14 A 8.22 4.28 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 15 I 8.42 3.58 1.83 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 1.34 0.81 0.97 0.00 0.00 16 S 8.36 4.62 0.00 4.07 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 17 P 0.00 4.24 0.00 2.18 2.17 0.00 3.60 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 2.12 2.20 0.00 18 R 7.97 3.98 0.00 1.82 1.99 0.00 3.30 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 19 T 7.94 3.87 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 1.17 0.00 0.00 20 L 8.24 4.15 0.00 1.74 1.82 0.97 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 21 N 8.77 4.29 0.00 2.80 2.97 0.00 0.00 7.10 7.92 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 22 A 8.06 4.02 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 23 W 8.60 4.45 0.00 3.39 3.32 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 24 V 8.10 3.27 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 0.74 0.00 0.00 1.00 0.00 0.00 25 K 7.98 3.92 0.00 1.97 1.81 0.00 1.95 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.54 7.81 26 V 7.92 3.42 2.19 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 1.09 0.00 0.00 1.02 0.00 0.00 27 V 7.29 2.89 1.63 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 0.58 0.00 0.00 -0.46 0.00 0.00 28 E 8.18 3.82 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 2.34 2.36 0.00 29 E 7.82 4.20 0.00 1.97 1.87 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 2.23 2.29 0.00 30 K 8.10 4.35 0.00 1.72 1.68 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.33 7.81 31 A 7.31 3.40 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 5.99 4.59 0.00 2.40 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 33 S 8.15 4.61 0.00 3.98 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 34 P 0.00 4.24 0.00 2.21 2.21 0.00 3.64 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 2.16 2.22 0.00 35 E 8.07 4.33 0.00 2.10 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 2.39 2.44 0.00 36 V 8.14 3.66 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 1.16 0.00 0.00 0.97 0.00 0.00 37 I 7.80 3.89 1.95 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 0.74 1.01 0.00 0.00 38 P 0.00 4.35 0.00 2.36 2.14 0.00 3.76 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.23 0.00 39 M 7.68 4.12 0.00 2.26 2.42 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 3.01 0.00 40 F 8.84 4.02 0.00 3.35 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 41 S 8.33 3.83 0.00 4.02 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 42 A 7.90 4.06 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 43 L 7.97 3.99 0.00 1.56 1.66 1.20 1.12 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 44 S 7.27 4.25 0.00 3.50 2.98 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 45 E 7.17 3.91 0.00 1.94 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 2.27 2.21 0.00 46 G 8.87 3.84 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 0.00 0.00 0.00 47 A 7.71 4.19 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 48 T 8.59 4.25 4.22 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 1.08 0.00 0.00 49 P 0.00 4.45 0.00 2.33 2.23 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 50 Q 8.09 4.05 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 51 D 8.20 4.38 0.00 2.85 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 52 L 8.24 3.93 0.00 1.89 1.46 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.76 4.47 0.00 2.84 2.96 0.00 0.00 7.03 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 54 T 7.68 3.93 4.47 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 1.27 0.00 0.00 55 M 8.13 4.31 0.00 1.40 2.11 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.18 0.00 56 L 8.32 4.28 0.00 1.89 1.79 0.88 0.51 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 57 N 8.23 5.00 0.00 2.87 2.91 0.00 0.00 6.94 7.13 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 58 T 7.47 4.65 4.36 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 1.35 0.00 0.00 59 V 7.30 3.78 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 0.89 0.00 0.00 1.22 0.00 0.00 60 G 8.63 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 0.00 0.00 0.00 61 G 8.57 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.67 4.26 0.00 3.60 3.74 0.00 5.63 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 63 Q 8.24 4.04 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 64 A 8.13 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 65 A 8.12 3.98 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 66 M 8.37 3.99 0.00 2.09 2.18 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 2.73 3.03 0.00 67 Q 8.34 3.97 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 68 M 8.10 4.20 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 69 L 8.07 3.86 0.00 1.81 1.74 0.79 0.36 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 70 K 8.07 4.01 0.00 1.91 1.96 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.52 7.81 71 E 8.31 3.97 0.00 2.20 1.96 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 2.32 2.43 0.00 72 T 8.09 3.81 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 73 I 8.12 3.78 2.12 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.94 1.21 0.00 0.00 74 N 8.26 4.26 0.00 2.86 2.83 0.00 0.00 6.71 7.21 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 75 E 8.08 3.83 0.00 1.98 1.96 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 2.20 2.28 0.00 76 E 8.13 3.48 0.00 1.16 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 2.23 2.16 0.00 77 A 7.53 3.48 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 78 A 7.71 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 79 E 8.37 3.92 0.00 1.88 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 2.37 2.39 0.00 80 W 8.50 4.20 0.00 3.70 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 81 D 8.05 4.44 0.00 2.92 2.76 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 82 R 7.87 3.99 0.00 1.79 2.06 0.00 3.22 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 83 L 7.73 4.28 0.00 1.51 1.43 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 84 H 7.25 4.56 0.00 2.59 2.87 0.00 5.86 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.33 0.00 1.96 1.93 0.00 3.48 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.03 0.00 86 V 7.81 4.47 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 0.77 0.00 0.00 0.95 0.00 0.00 87 H 8.43 4.50 0.00 3.27 3.23 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 88 A 8.66 4.08 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 89 G 7.42 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 90 P 0.00 4.43 0.00 2.41 2.12 0.00 3.81 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 2.02 2.13 0.00 91 I 8.37 3.89 1.85 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 1.41 0.48 0.91 0.00 0.00 92 E 7.88 4.35 0.00 1.96 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 2.31 2.43 0.00 93 P 0.00 3.98 0.00 2.04 2.06 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 94 G 7.77 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 95 Q 7.57 4.08 0.00 2.01 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 96 M 8.60 4.08 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 97 R 8.55 4.23 0.00 2.09 2.03 0.00 3.21 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.00 0.00 98 E 8.60 4.23 0.00 2.02 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 2.37 2.27 0.00 99 P 0.00 4.02 0.00 1.22 0.49 0.00 3.48 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.00 0.00 100 R 9.08 4.75 0.00 1.82 2.16 0.00 3.41 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 101 G 9.49 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 0.00 0.00 0.00 102 S 8.05 4.19 0.00 4.06 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.10 4.35 0.00 2.69 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 0.00 104 I 7.25 3.20 1.43 0.00 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 -0.25 -0.32 0.00 0.00 105 A 7.69 2.58 1.17 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 0.00 0.00 106 G 7.63 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 0.00 107 T 7.67 4.17 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 1.21 0.00 0.00 108 T 7.94 4.61 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 1.23 0.00 0.00 109 S 7.83 5.06 0.00 4.22 4.46 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 0.00 110 T 8.58 4.21 4.19 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 0.00 0.00 0.00 1.18 0.00 0.00 111 L 8.34 3.84 0.00 1.92 1.69 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 8.07 3.85 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 113 E 7.80 3.31 0.00 1.86 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 1.80 2.04 0.00 114 Q 7.96 4.27 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.54 2.62 0.00 115 I 7.98 3.74 1.89 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 1.25 0.56 0.86 0.00 0.00 116 G 8.07 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 0.00 0.00 0.00 117 W 7.92 4.37 0.00 3.62 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 M 8.33 4.17 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.56 0.00 119 T 7.48 4.52 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 1.25 0.00 0.00 120 H 7.27 4.17 0.00 3.55 3.49 0.00 5.52 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 N 7.93 4.74 0.00 2.62 2.61 0.00 0.00 7.04 7.69 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 0.00 122 P 0.00 4.61 0.00 2.25 2.06 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 123 P 0.00 4.48 0.00 2.09 2.24 0.00 3.72 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 124 I 8.38 4.33 2.01 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 1.39 0.66 0.76 0.00 0.00 125 P 0.00 4.60 0.00 2.22 2.20 0.00 3.71 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 126 V 7.69 3.34 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 0.36 0.00 0.00 1.04 0.00 0.00 127 G 7.80 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 0.00 128 E 8.00 3.89 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 129 I 7.71 3.41 1.31 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.03 -0.15 0.00 0.00 130 Y 7.49 3.37 0.00 2.67 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 0.00 131 K 8.18 3.87 0.00 1.99 1.85 0.00 1.65 0.00 0.00 1.44 0.00 0.00 2.79 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.35 1.45 7.81 132 R 7.81 3.96 0.00 1.92 2.12 0.00 3.23 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.78 0.00 133 W 8.01 4.43 0.00 3.70 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 0.00 134 I 8.12 3.64 1.87 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.34 0.28 0.00 0.00 135 I 8.32 3.75 1.94 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.94 0.98 0.00 0.00 136 L 8.46 4.06 0.00 1.90 1.95 0.95 1.22 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 0.00 137 G 8.20 3.61 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 0.00 138 L 8.19 3.86 0.00 1.73 1.67 0.52 0.23 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 0.00 139 N 8.26 4.41 0.00 2.75 2.90 0.00 0.00 7.09 8.47 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 0.00 140 K 7.68 4.15 0.00 2.01 1.84 0.00 1.65 0.00 0.00 1.63 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.60 7.81 141 I 7.78 3.81 1.85 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.71 0.91 0.00 0.00 142 V 8.05 4.56 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 1.14 0.00 0.00 1.02 0.00 0.00 143 R 7.62 3.97 0.00 1.92 2.02 0.00 3.17 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 144 M 8.24 4.23 0.00 1.64 2.09 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.52 0.00 145 Y 8.09 4.33 0.00 3.09 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