NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.2368 8.3144 120.1292 55.7994 34.3468 175.7184 7 K 3.9110 7.8629 120.7038 53.0805 32.7056 173.9079 8 P 3.9704 0.0000 0.0000 63.0650 32.3847 174.4094 9 D 4.5333 8.1155 120.6272 53.0888 42.2087 176.1557 10 F 5.0313 8.3871 124.0330 57.8495 39.3152 177.7279 11 T 3.9113 8.1043 118.4746 66.6331 68.3013 176.3945 12 L 3.8950 7.8711 121.7735 58.0921 42.1863 178.5041 13 F 4.2275 8.3241 120.1562 61.4629 39.3952 176.9361 14 L 3.7445 8.3963 118.6620 57.3257 41.4214 179.3664 15 Q 3.9790 8.1256 118.6164 59.1856 28.6776 179.0687 16 T 3.7516 7.5625 110.5400 64.4362 68.9230 176.4008 17 L 3.6919 7.7176 123.8900 57.7931 41.9029 179.1973 18 S 3.2028 7.5085 114.0127 60.7411 62.5546 176.4401 19 W 3.8939 7.9206 122.1521 59.3274 28.7084 177.9716 20 E 3.9531 8.2983 119.0581 59.4691 29.1244 178.8449 21 I 3.7768 8.0930 120.0997 64.7126 36.8834 178.2396 22 D 4.5108 8.0860 118.8022 56.9261 40.3402 178.5579 23 D 4.2805 7.7042 119.0243 57.1380 40.9448 178.2923 24 Q 4.2056 7.7564 117.6297 58.0610 29.0979 177.3501 25 V 4.1851 7.9458 109.8628 60.0581 34.0202 177.1095 26 G 4.1104 7.6370 104.3602 45.6000 0.0000 174.4965 27 I 3.6151 8.3498 119.6440 64.6572 36.9284 178.4683 28 E 3.9989 8.0943 119.1985 59.0805 29.4933 178.7168 29 V 3.6521 7.6853 117.9821 65.3733 31.7071 177.7926 30 R 3.8165 7.9316 118.6175 59.6111 29.9631 178.2366 31 N 4.1443 8.4297 116.5997 56.3076 38.3401 177.0358 32 E 3.9396 7.9613 120.7678 58.7772 29.7061 178.6621 33 L 3.9023 7.8858 120.6366 58.0982 42.2000 178.8063 34 L 3.8631 7.8414 118.9682 57.8888 41.4000 179.8287 35 R 3.9951 7.8673 117.9147 59.1928 30.0380 178.6927 36 E 3.8701 7.8992 119.2387 59.1243 29.3665 179.0174 37 V 3.5997 7.6653 117.5434 65.7986 31.4066 177.6618 38 G 3.7486 8.0119 105.4933 48.1891 0.0000 175.6062 39 R 4.0504 8.0111 119.9190 58.5326 30.3218 178.9738 40 G 3.8429 7.8053 104.7475 45.0419 0.0000 175.4095 *42 G 3.8625 8.1164 110.1752 44.7834 0.0000 174.3459 43 T 4.3703 7.6316 108.4994 61.8451 69.6298 175.5839 44 R 4.3507 7.9838 120.9098 57.3566 31.3375 176.2481 45 I 4.4990 7.3668 108.3160 58.1086 40.3990 172.4722 *47 P 3.9253 0.0000 0.0000 61.6289 32.0029 174.0836 48 P 4.4288 0.0000 0.0000 61.1541 32.3009 174.2219 49 P 4.3731 0.0000 0.0000 62.9330 30.1721 175.8860 50 C 4.5487 8.2432 121.1544 58.7452 29.3481 174.5957 51 Q 4.2269 8.6211 122.5624 58.2800 29.0570 176.5743 52 T 4.7667 7.3925 106.4595 58.8340 73.3866 174.8993 53 V 3.5552 8.2336 120.4612 66.0899 31.6977 177.2118 54 D 4.3424 8.1939 117.3592 57.6816 40.9388 178.6107 55 K 4.0045 7.8250 118.7773 59.2057 32.0238 179.1826 56 L 3.9032 8.0679 120.7237 58.1512 42.0652 178.6366 57 Q 3.9886 8.6704 119.8166 59.3898 28.7847 178.5749 58 I 3.7095 7.6253 120.1443 64.3822 37.2303 178.3177 59 E 3.8615 8.1634 119.3453 59.3452 29.2321 179.3239 60 L 3.4905 8.3339 119.2585 57.8835 41.6328 179.4499 61 N 4.3650 8.3440 115.9040 55.9708 38.2190 177.4391 62 A 3.9558 7.6202 122.4811 54.9918 18.0408 179.6390 63 L 3.8677 7.5922 117.3019 57.9718 41.7860 179.7251 64 L 4.4056 8.2363 118.8205 57.8455 41.3203 179.4223 65 A 4.0877 8.1496 120.1747 55.0823 18.3505 179.0042 66 L 4.1132 7.5915 118.3700 57.3148 42.2047 178.1735 67 I 4.5794 7.1230 109.7393 59.2197 38.6267 175.2666 68 G 4.0556 8.0404 107.9369 47.1170 0.0000 174.4199 69 W 4.6300 8.5994 116.5695 55.8689 30.0609 175.6920 70 G 4.0260 7.9217 103.9518 44.1532 0.0000 173.2352 71 T 5.1185 8.4131 109.4440 59.9517 72.6135 173.6693 72 V 5.0656 9.6464 122.5161 60.1901 34.6321 174.8013 73 T 4.8390 8.7384 112.9244 59.9546 71.5086 172.6422 74 L 5.1340 9.4251 125.0107 53.1021 44.5976 175.8002 75 E 4.5282 8.5838 122.6516 54.7020 33.3156 173.6643 76 L 4.3698 8.6698 129.7940 54.9076 42.8253 176.8416 77 L 4.4988 8.8708 129.1503 53.2824 40.2338 177.3284 78 S 4.0379 8.3492 117.3390 60.8732 62.9610 175.1965 79 E 4.0203 8.3653 120.9464 59.4078 29.4397 177.3697 80 D 4.6364 8.0687 114.7415 53.8600 40.9704 175.5999 81 Q 3.5727 7.8477 113.1611 56.3025 27.0450 172.7833 82 S 4.7843 8.3007 112.3791 56.9685 67.6140 172.0624 83 L 5.1408 8.2808 118.5598 52.8929 44.6332 175.8921 84 R 3.9090 8.9732 125.2075 55.4781 31.3728 174.8912 85 I 4.4278 7.8195 127.5418 59.7410 39.3825 174.7689 86 V 4.3961 8.5683 128.3884 61.3928 33.5953 174.0656 87 H 5.1242 8.9700 130.2285 54.9531 30.8133 174.1163 88 E 4.5312 9.0689 126.5509 56.0962 31.0490 176.5150 89 N 4.1348 8.6512 117.0348 53.6113 35.7605 175.0274 90 L 3.9288 8.3303 119.2835 54.7952 42.8529 174.8491 91 P 4.1167 0.0000 0.0000 62.7936 31.7685 175.2260 92 Q 4.5714 8.3699 123.2376 54.7614 30.6527 175.9640 93 V 4.3155 8.2634 124.8398 61.7877 31.9551 174.6802 94 G 3.7932 7.8642 109.7293 44.9130 0.0000 172.7979 95 S 4.5701 8.5957 112.2176 58.3059 63.8763 173.9498 96 A 3.9753 7.6897 124.8875 52.5774 18.8357 176.7590 97 G 4.3074 8.9287 105.7022 45.0141 0.0000 173.5332 98 E 4.4954 8.2834 117.9569 53.4846 31.4842 174.6053 99 P 4.5604 0.0000 0.0000 61.5124 32.5152 175.8773 100 S 4.6869 7.8899 114.0911 59.5967 62.8683 174.9844 101 G 4.3712 8.9366 113.4573 45.4087 0.0000 174.3092 102 T 4.6082 7.8501 109.7846 60.7702 69.2293 176.1574 103 W 4.2427 8.7336 134.3046 61.7505 30.7461 176.6606 104 L 4.2127 8.0907 115.2241 55.5896 41.8664 178.4232 105 A 3.9937 8.2026 122.3589 54.8483 18.3960 177.9182 106 P 4.7248 0.0000 0.0000 64.2470 31.2669 178.9322 107 V 3.7407 7.6565 118.0151 65.8042 31.3575 177.8095 108 L 3.9116 7.8959 118.6016 57.9476 41.4034 179.0750 109 E 4.0549 8.4148 118.0920 59.7608 29.2465 179.7702 110 G 3.5102 7.9011 104.9207 47.3604 0.0000 175.7409 111 L 3.6008 7.7888 124.3214 57.5574 41.9832 178.7014 112 Y 4.3122 8.4519 117.5219 60.7443 37.4993 178.5982 113 G 3.7991 7.7221 105.6261 47.9745 0.0000 175.4334 114 R 4.0657 7.6520 121.3267 58.9558 30.0053 178.4245 115 W 4.5209 8.3064 117.7388 59.7009 29.5056 178.0030 116 V 4.1997 8.5477 117.4210 63.6485 31.3234 176.8186 117 T 4.7293 7.6776 108.0682 61.6631 69.2347 176.2363 118 S 4.4567 8.3483 117.0042 60.5274 64.2930 174.0530 119 Q 4.0863 7.5887 117.8724 56.1828 29.3983 176.0084 120 A 4.3543 8.2829 127.1387 54.6145 19.8337 180.4223 121 G 4.1245 8.3523 103.0243 47.5431 0.0000 174.8831 122 A 3.9901 7.5968 121.3681 53.8770 18.5352 177.3504 123 F 4.4524 6.8048 115.1399 58.6049 39.1462 175.7855 124 G 3.5536 8.7161 114.4597 44.8730 0.0000 173.3212 125 D 4.5191 8.1970 123.8330 53.1618 40.1128 174.3776 126 Y 5.4543 7.6965 119.4677 56.9173 39.6938 174.8595 127 V 4.6562 9.1859 114.8531 59.5968 35.7656 175.5176 128 V 4.7484 8.4816 122.2931 61.5167 33.4574 174.6982 129 T 4.9901 8.7375 117.9894 59.7572 71.5776 173.9577 130 R 4.2130 8.9027 124.1151 56.0900 30.5080 175.9946 131 D 4.7190 8.9136 124.7075 53.3993 40.3619 176.6921 132 V 4.1591 8.2052 118.2371 61.6073 32.0845 176.1671 133 D 5.5212 8.2153 120.0024 55.0756 42.4474 177.7095 134 A 4.0175 8.8671 121.6518 55.2530 18.1081 179.4423 135 E 3.9566 7.9768 116.5016 59.4797 29.5969 179.0257 136 D 4.4797 8.0219 118.0835 56.1177 39.6738 176.9946 137 L 4.2372 8.0409 122.7698 56.0439 42.2095 176.0323 138 N 4.3229 8.0674 116.8213 53.5109 39.5559 176.8519 139 A 4.3665 8.3276 127.7677 51.8184 16.4711 176.9726 140 V 4.0378 7.3740 112.1290 58.9889 33.4817 175.2948 141 P 4.3923 0.0000 0.0000 62.6034 31.9841 177.4264 142 R 3.8784 8.7577 121.1552 60.0078 30.0897 177.6450 143 Q 4.4152 8.0786 114.7128 56.4256 28.6328 174.4948 144 T 5.0959 7.6367 115.3962 62.1069 70.0980 174.1431 145 I 4.5031 8.5913 127.3531 59.6331 39.8712 175.2628 146 I 4.8364 8.1008 127.1933 59.4467 40.1142 174.7825 *148 Y 5.0963 7.7505 118.5073 58.3224 40.2666 174.1850 *150 R 4.4391 8.3139 119.0678 56.9223 32.2272 175.4972 151 V 4.1727 8.3208 113.0054 61.4463 32.0211 176.1810 152 R 3.9112 8.8411 121.4145 57.8324 30.4920 176.6127 153 S 4.8248 7.5539 114.8116 56.7268 65.8871 174.0924 154 S 4.5022 8.3875 118.6218 57.3941 65.3551 173.3968 155 A 4.5485 8.1159 126.3811 51.7866 21.7853 175.6387 156 T 4.1752 8.1360 111.5786 62.6675 67.6726 173.7225 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 6 K 8.31 4.24 0.00 1.75 1.92 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.42 7.81 7 K 7.86 3.91 0.00 1.78 1.69 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.50 7.81 8 P 0.00 3.97 0.00 1.39 1.79 0.00 3.74 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.92 0.00 9 D 8.12 4.53 0.00 2.52 2.48 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 0.00 0.00 0.00 0.00 10 F 8.39 5.03 0.00 3.33 3.17 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 11 T 8.10 3.91 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 1.20 0.00 0.00 12 L 7.87 3.90 0.00 1.68 1.70 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 13 F 8.32 4.23 0.00 3.26 3.23 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 14 L 8.40 3.74 0.00 1.98 1.61 1.05 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 15 Q 8.13 3.98 0.00 2.13 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 16 T 7.56 3.75 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 1.03 0.00 0.00 17 L 7.72 3.69 0.00 0.91 1.15 0.85 0.74 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 18 S 7.51 3.20 0.00 2.72 2.63 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 19 W 7.92 3.89 0.00 3.39 3.33 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 20 E 8.30 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 2.32 2.42 0.00 21 I 8.09 3.78 2.19 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.72 1.11 0.00 0.00 22 D 8.09 4.51 0.00 2.75 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 23 D 7.70 4.28 0.00 2.90 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 24 Q 7.76 4.21 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.62 2.56 0.00 25 V 7.95 4.19 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 0.70 0.00 0.00 0.98 0.00 0.00 26 G 7.64 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.35 3.62 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.56 0.88 0.00 0.00 28 E 8.09 4.00 0.00 2.06 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 2.36 2.40 0.00 29 V 7.69 3.65 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 0.98 0.00 0.00 0.92 0.00 0.00 30 R 7.93 3.82 0.00 1.97 2.05 0.00 2.89 0.00 0.00 3.72 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.61 0.00 31 N 8.43 4.14 0.00 2.66 2.77 0.00 0.00 6.73 7.35 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 32 E 7.96 3.94 0.00 1.99 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 2.28 2.33 0.00 33 L 7.89 3.90 0.00 1.79 1.83 0.92 0.71 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 34 L 7.84 3.86 0.00 1.77 1.49 0.41 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.87 4.00 0.00 1.82 1.92 0.00 3.32 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.80 0.00 36 E 7.90 3.87 0.00 2.15 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 2.28 2.33 0.00 37 V 7.67 3.60 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 0.85 0.00 0.00 0.99 0.00 0.00 38 G 8.01 3.75 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 0.00 0.00 0.00 39 R 8.01 4.05 0.00 1.87 1.96 0.00 3.13 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 40 G 7.81 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 *42 G 8.12 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 0.00 0.00 0.00 43 T 7.63 4.37 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 1.27 0.00 0.00 44 R 7.98 4.35 0.00 1.79 1.99 0.00 3.28 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.50 0.00 45 I 7.37 4.50 1.93 0.00 0.00 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 1.53 0.98 0.92 0.00 0.00 *47 P 0.00 3.93 0.00 2.05 1.76 0.00 3.65 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.60 0.00 48 P 0.00 4.43 0.00 2.17 2.08 0.00 3.65 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 49 P 0.00 4.37 0.00 2.07 2.14 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.30 0.00 50 C 8.24 4.55 0.00 2.96 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 51 Q 8.62 4.23 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 52 T 7.39 4.77 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 53 V 8.23 3.56 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 1.02 0.00 0.00 0.93 0.00 0.00 54 D 8.19 4.34 0.00 2.82 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 55 K 7.82 4.00 0.00 1.95 1.83 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.44 7.81 56 L 8.07 3.90 0.00 1.76 1.85 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.67 3.99 0.00 2.11 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 58 I 7.63 3.71 1.99 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 1.51 1.20 0.89 0.00 0.00 59 E 8.16 3.86 0.00 2.00 1.84 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 2.50 2.43 0.00 60 L 8.33 3.49 0.00 1.80 1.82 0.45 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.34 4.36 0.00 2.75 2.89 0.00 0.00 6.94 6.66 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 62 A 7.62 3.96 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 63 L 7.59 3.87 0.00 1.50 1.54 0.77 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.24 4.41 0.00 1.94 2.06 1.22 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.15 4.09 1.39 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 0.00 0.00 0.00 66 L 7.59 4.11 0.00 1.69 1.83 0.93 1.19 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 67 I 7.12 4.58 1.87 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.87 0.87 0.00 0.00 68 G 8.04 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 W 8.60 4.63 0.00 3.34 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 70 G 7.92 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 0.00 0.00 0.00 71 T 8.41 5.12 4.26 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 1.24 0.00 0.00 72 V 9.65 5.07 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.95 0.00 0.00 73 T 8.74 4.84 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 1.20 0.00 0.00 74 L 9.43 5.13 0.00 1.46 1.56 0.96 0.76 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 75 E 8.58 4.53 0.00 2.00 1.70 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 2.20 2.24 0.00 76 L 8.67 4.37 0.00 1.69 1.57 0.92 1.03 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 77 L 8.87 4.50 0.00 1.83 1.63 1.04 0.83 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 78 S 8.35 4.04 0.00 3.83 3.90 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 79 E 8.37 4.02 0.00 2.01 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 2.38 2.25 0.00 80 D 8.07 4.64 0.00 2.67 2.64 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 81 Q 7.85 3.57 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.45 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 82 S 8.30 4.78 0.00 3.93 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 83 L 8.28 5.14 0.00 1.51 1.50 0.87 0.74 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 84 R 8.97 3.91 0.00 1.80 1.69 0.00 3.00 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.95 0.00 85 I 7.82 4.43 1.52 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.37 0.14 0.00 0.00 86 V 8.57 4.40 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 0.90 0.00 0.00 0.82 0.00 0.00 87 H 8.97 5.12 0.00 3.34 3.23 0.00 5.82 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 E 9.07 4.53 0.00 1.96 1.86 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 2.32 2.29 0.00 89 N 8.65 4.13 0.00 2.92 2.93 0.00 0.00 6.88 7.85 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 90 L 8.33 3.93 0.00 1.54 1.70 0.87 0.95 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 91 P 0.00 4.12 0.00 1.45 1.59 0.00 3.06 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.53 0.00 92 Q 8.37 4.57 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.44 0.00 0.00 0.00 0.00 0.00 2.27 2.60 0.00 93 V 8.26 4.32 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 0.74 0.00 0.00 0.93 0.00 0.00 94 G 7.86 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 95 S 8.60 4.57 0.00 4.11 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.69 3.98 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 G 8.93 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 0.00 0.00 0.00 0.00 98 E 8.28 4.50 0.00 1.90 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 2.19 2.31 0.00 99 P 0.00 4.56 0.00 2.23 2.20 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 100 S 7.89 4.69 0.00 3.91 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 0.00 101 G 8.94 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 0.00 0.00 0.00 0.00 102 T 7.85 4.61 4.26 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 1.26 0.00 0.00 103 W 8.73 4.24 0.00 3.38 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 0.00 104 L 8.09 4.21 0.00 1.77 1.64 1.28 0.80 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 0.00 105 A 8.20 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 P 0.00 4.72 0.00 2.01 2.01 0.00 3.73 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.88 0.00 107 V 7.66 3.74 2.43 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 1.13 0.00 0.00 1.02 0.00 0.00 108 L 7.90 3.91 0.00 2.15 1.90 1.10 0.87 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 0.00 109 E 8.41 4.05 0.00 2.20 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 2.43 2.42 0.00 110 G 7.90 3.51 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 0.00 111 L 7.79 3.60 0.00 1.28 1.13 -0.21 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 112 Y 8.45 4.31 0.00 3.13 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 0.00 113 G 7.72 3.80 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 0.00 0.00 0.00 114 R 7.65 4.07 0.00 1.92 1.94 0.00 3.17 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 115 W 8.31 4.52 0.00 3.34 3.12 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 0.00 116 V 8.55 4.20 2.32 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 1.11 0.00 0.00 1.20 0.00 0.00 117 T 7.68 4.73 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 1.50 0.00 0.00 118 S 8.35 4.46 0.00 4.02 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 0.00 119 Q 7.59 4.09 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.15 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 120 A 8.28 4.35 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 0.00 121 G 8.35 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 0.00 122 A 7.60 3.99 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 0.00 123 F 6.80 4.45 0.00 3.19 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 0.00 124 G 8.72 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 D 8.20 4.52 0.00 2.74 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 7.70 5.45 0.00 2.94 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 0.00 127 V 9.19 4.66 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 0.69 0.00 0.00 1.07 0.00 0.00 128 V 8.48 4.75 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 0.88 0.00 0.00 1.00 0.00 0.00 129 T 8.74 4.99 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 130 R 8.90 4.21 0.00 1.82 1.87 0.00 3.24 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 131 D 8.91 4.72 0.00 2.99 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 0.00 132 V 8.21 4.16 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 0.81 0.00 0.00 0.94 0.00 0.00 133 D 8.22 5.52 0.00 2.72 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 0.00 134 A 8.87 4.02 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 135 E 7.98 3.96 0.00 2.07 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 2.34 2.33 0.00 136 D 8.02 4.48 0.00 2.87 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 0.00 137 L 8.04 4.24 0.00 2.03 1.62 1.05 1.18 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 0.00 138 N 8.07 4.32 0.00 2.92 2.77 0.00 0.00 7.16 7.09 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 0.00 139 A 8.33 4.37 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 V 7.37 4.04 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 0.71 0.00 0.00 1.05 0.00 0.00 141 P 0.00 4.39 0.00 2.18 1.99 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 142 R 8.76 3.88 0.00 1.75 1.98 0.00 3.29 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 143 Q 8.08 4.42 0.00 2.13 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.18 6.66 0.00 0.00 0.00 0.00 0.00 2.44 2.31 0.00 144 T 7.64 5.10 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 145 I 8.59 4.50 1.89 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 1.25 1.01 0.96 0.00 0.00 146 I 8.10 4.84 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 1.15 1.58 0.72 0.00 0.00 *148 Y 7.75 5.10 0.00 2.99 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 *150 R 8.31 4.44 0.00 1.80 1.95 0.00 3.29 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 151 V 8.32 4.17 2.17 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 0.93 0.00 0.00 1.00 0.00 0.00 152 R 8.84 3.91 0.00 1.94 1.88 0.00 3.34 0.00 0.00 3.16 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 153 S 7.55 4.82 0.00 3.78 3.69 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 0.00 154 S 8.39 4.50 0.00 3.98 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 0.00 155 A 8.12 4.55 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 0.00 156 T 8.14 4.18 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.