NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.1806 8.1633 120.7490 55.2262 34.0469 173.7382 2 R 4.9467 8.9848 121.2183 52.0440 33.3595 169.9062 3 V 4.9671 9.1495 123.0734 59.8758 35.4999 174.1836 4 V 4.8287 8.8989 123.7614 61.4586 33.7792 174.0439 5 I 5.0161 9.4492 130.3701 59.7413 39.5243 174.8001 6 Q 5.7252 9.1115 125.5897 53.1228 32.5886 174.6054 7 R 4.5450 8.4434 122.9919 55.8456 31.7982 175.4176 8 V 5.0838 8.8310 118.1506 59.7924 36.0222 176.1298 9 K 4.5902 8.4418 121.1925 55.1965 32.8446 176.9415 10 G 4.8447 7.2849 111.7129 45.7981 0.0000 171.4844 11 A 5.2317 8.1124 121.8732 50.6171 23.4053 175.3545 12 I 4.7244 9.2465 123.7477 59.3678 40.3391 174.3136 13 L 5.0843 8.9239 130.0998 53.4565 44.0434 175.2784 14 S 5.3819 9.4364 122.6717 57.0687 66.3989 173.4516 15 V 4.8401 8.6697 114.8870 59.4049 36.1469 175.2141 16 R 4.1157 8.5803 120.1958 56.6283 30.8200 175.7413 17 K 3.5069 8.2425 120.7188 56.7878 29.9620 175.4440 *25 K 4.3369 7.7281 121.2393 56.2708 34.6444 176.3121 26 E 4.0726 8.2130 119.0197 58.6858 29.8529 175.9671 27 L 5.0428 7.6612 116.8398 53.3565 43.5994 175.7226 28 E 4.6998 9.8598 124.1224 54.3057 32.4122 174.9214 29 I 4.6210 8.4835 128.1860 61.3177 37.7056 175.6619 30 I 4.6564 8.9063 118.3670 60.4727 39.1423 175.5914 31 S 4.6725 7.7113 118.4969 57.7557 67.4907 173.2307 32 E 5.6188 8.9581 123.4980 54.1676 32.9702 174.8707 33 I 4.6059 8.3944 117.8829 58.3211 40.9847 176.4824 34 K 4.6323 9.3271 126.3818 55.7435 30.1636 178.6502 35 N 5.2696 8.0561 124.7860 53.1850 39.4222 174.8546 36 G 4.4640 7.4593 107.4499 46.0170 0.0000 170.9980 37 L 5.3263 8.0404 121.7017 52.9368 45.7301 175.4714 38 I 4.6854 8.6170 122.2204 59.4076 40.5015 173.9169 39 C 5.1446 8.7072 127.2752 58.0379 30.8670 173.1762 40 F 4.8681 9.1149 124.5490 56.5075 39.8961 174.7343 41 L 5.1427 9.4901 127.7375 53.3047 44.3080 175.0915 42 G 4.7918 9.6237 114.6350 44.9367 0.0000 172.1283 43 I 5.1984 8.7726 126.6282 60.3848 38.5767 175.3198 44 H 3.8602 9.7744 127.3878 54.4653 30.8561 175.9225 45 K 3.8298 7.6739 124.7297 58.9909 32.0261 177.5250 46 N 4.8561 8.0391 113.1257 52.8162 38.7971 174.3477 47 D 4.4461 7.5370 118.9027 54.5411 41.4373 176.1627 48 T 4.6706 8.8622 113.9882 59.3122 71.4079 175.3207 49 W 4.6330 8.8917 130.9680 60.7637 30.3139 177.7937 50 E 4.0087 7.8847 116.5977 59.0354 28.9905 178.7073 51 D 4.4772 8.1211 119.1342 57.1828 41.0420 178.4902 52 A 3.8319 7.9275 120.6707 55.2629 18.3676 179.3618 53 L 3.4749 7.2062 117.3207 57.9564 41.5438 179.4165 54 Y 3.8271 7.6065 119.2008 60.8925 38.7826 177.2239 55 I 3.6588 7.9622 119.9787 64.6413 37.1678 177.7174 56 I 2.9655 7.4144 119.6377 64.5311 37.0335 177.9403 57 R 3.7180 7.7560 119.0446 59.7573 29.7656 178.6002 58 K 3.8462 7.7831 117.6133 59.4955 31.8588 179.0598 59 C 4.1223 8.2945 116.1831 63.1849 28.2591 176.1628 60 L 4.2344 8.0455 118.4298 56.5117 41.3524 177.4599 61 N 4.8986 7.7961 113.2866 52.5215 40.5139 174.6180 62 L 4.0883 8.4196 121.0788 54.5812 42.1591 176.6651 63 R 4.5581 8.5907 123.2835 55.5767 28.9355 176.2208 64 L 5.1509 8.5826 120.5060 54.0193 43.3035 176.2221 65 W 4.7152 8.1476 119.5550 54.5291 31.5892 175.5154 66 N 4.7692 8.5565 120.5392 53.6351 39.7222 174.1540 67 N 4.9782 8.5114 119.8491 53.6344 42.6209 174.5477 68 D 4.2053 8.5144 126.9841 55.4326 39.8885 174.9771 69 N 4.4521 9.0886 122.9988 57.2691 38.5008 175.6628 70 K 4.2796 7.8794 116.7115 56.3218 32.8667 175.7285 71 T 4.7221 7.8723 109.2408 58.6677 71.7526 173.0829 72 W 4.0508 7.7084 117.7874 56.9836 26.7060 175.2130 73 D 4.7560 8.4619 118.0240 54.6860 42.2700 176.3172 74 K 4.7734 7.9235 118.1526 54.3493 35.4935 175.7287 75 N 6.0058 9.4030 121.1148 50.8154 39.2515 176.3224 76 V 3.4185 8.8080 118.0472 65.0966 30.9750 178.5196 77 K 3.4187 7.7929 118.3385 59.1487 31.7580 178.5754 78 D 4.4111 8.1576 117.9991 57.0549 40.7799 178.4359 79 L 4.0805 6.6236 115.1273 53.3783 41.7688 176.1805 80 N 4.2767 7.9543 114.9646 54.5296 36.4075 174.0600 81 Y 4.8894 7.4890 116.2695 57.9289 39.6419 174.2177 82 E 5.0415 8.7911 119.2952 55.0252 32.7428 175.4700 83 L 5.1129 9.0718 119.9806 53.2015 46.4077 175.4560 84 L 4.9420 8.6895 125.5694 53.4772 44.1218 174.9852 85 I 4.6506 8.9139 128.7196 59.6643 39.2844 175.0007 86 V 4.5712 8.5032 127.6828 60.8352 34.2946 174.6083 87 S 4.7745 8.5208 122.1822 58.5051 63.4283 174.1288 88 Q 4.5702 9.9336 128.8007 54.1835 29.1520 174.8717 89 F 4.5821 8.6343 119.3868 59.2081 38.6127 178.3690 90 T 4.0220 6.9627 110.9531 63.7466 68.5506 175.7376 91 L 3.9998 7.7455 121.4314 56.8130 41.6457 177.3906 92 F 4.8285 8.2661 117.1357 57.0620 39.8986 176.2217 93 G 3.4169 8.3557 107.6952 46.0782 0.0000 173.6389 94 N 4.7019 9.4638 128.4922 53.1695 39.7533 175.3906 95 T 4.4963 8.4005 114.0935 60.9513 70.1658 174.7449 96 K 3.8784 8.6953 123.0794 59.1565 32.0531 177.0724 97 K 4.1077 7.9317 121.5193 54.9587 31.2438 176.5950 98 G 3.9094 8.2025 115.7442 44.7464 0.0000 170.7006 99 N 4.5583 8.4613 113.8209 53.0538 39.2972 175.2323 100 K 4.2553 7.7685 120.1997 54.4327 32.4458 174.4722 101 P 4.4552 0.0000 0.0000 62.1946 32.1556 175.1997 102 D 4.6128 8.4022 120.5912 52.5861 43.2603 176.4051 103 F 5.3214 8.3992 122.9689 57.4866 40.2042 176.7291 104 H 4.2621 8.5109 118.9505 59.2287 28.6091 176.6939 105 L 3.9497 8.0529 117.2246 56.4795 41.6848 176.5105 106 A 4.2904 7.8930 121.6978 50.7980 19.0142 177.4575 107 K 3.7840 8.2055 123.9867 56.8691 32.9544 176.1896 108 E 4.0936 8.7198 126.1651 55.6817 30.8591 175.4956 109 P 4.4732 0.0000 0.0000 66.2841 30.9782 178.6877 110 N 4.4410 8.4983 114.3145 56.4802 38.5327 177.1677 111 E 4.1106 8.3064 119.2077 58.9273 29.5939 179.0089 112 A 4.2185 8.3402 121.4221 55.0746 18.5378 178.8843 113 L 2.5906 8.1069 119.0816 58.2362 42.0684 178.9760 114 I 3.6747 7.4353 116.8677 64.4539 37.9427 177.1545 115 F 4.4200 8.4597 121.1517 61.3891 39.0913 176.2772 116 Y 4.2248 9.3223 119.3786 61.1437 38.7831 178.6717 117 N 4.2620 8.7993 117.5793 56.1443 38.5404 177.4331 118 K 3.9197 8.0001 119.6721 59.7527 32.0881 179.4261 119 I 3.6903 7.6251 119.9240 64.1636 36.9657 178.6455 120 I 3.7654 7.7901 120.8279 64.5140 36.9542 177.9151 121 D 4.4308 8.1827 119.8135 57.7077 40.6078 178.8757 122 E 4.0297 8.5090 119.6435 59.0258 29.5014 178.4411 123 F 4.0584 8.4307 118.4655 60.9785 38.8877 178.0843 124 K 4.1183 8.1358 115.9464 58.8772 31.8087 179.3015 125 K 4.1346 7.7968 119.6389 59.6426 32.3960 178.7223 126 Q 4.2639 8.2834 116.1670 56.1565 28.9813 175.0883 127 Y 5.2490 8.3058 118.9246 57.1645 38.8875 177.4600 128 N 4.8734 8.5026 114.1177 51.4625 42.4239 173.0190 129 D 4.3620 8.9956 125.4595 57.8277 41.1856 178.6091 130 D 4.4701 8.1000 116.2967 56.2365 40.9853 177.1185 131 K 4.2952 7.8909 117.9733 56.1769 33.5967 175.8357 132 I 4.7990 7.5296 121.3427 59.4952 38.8263 175.1125 133 K 4.5632 9.9463 128.1721 55.0626 33.9490 176.6103 134 I 4.8676 7.7885 117.1808 57.6996 40.4492 176.6915 135 G 4.1011 8.1221 108.8542 45.5305 0.0000 175.7755 136 K 4.4687 8.4193 127.8673 53.7353 34.0818 174.8905 137 F 3.9321 9.1159 129.4142 59.3113 39.5611 174.4674 138 G 3.8059 7.8139 115.6121 46.3675 0.0000 172.3392 139 N 5.0403 7.4211 115.0503 50.5329 41.0522 174.4023 140 Y 4.1977 8.5321 121.9138 58.4993 39.4242 175.4020 141 M 4.7534 7.0260 124.2419 53.3268 36.5269 174.1638 142 N 4.7150 9.0363 120.4920 52.0083 41.6537 173.3889 143 I 4.8225 8.2676 127.4940 59.4494 39.6125 175.0909 144 D 4.5488 9.2913 129.2398 53.9394 41.8098 175.9721 145 V 4.4618 8.3315 123.8943 61.2551 34.0209 175.4426 146 T 4.2812 8.5177 126.1094 62.9637 68.7480 173.7998 147 N 4.9223 8.6572 124.5288 52.9487 39.7433 174.8998 148 D 4.5104 9.4409 123.9420 56.3090 41.8626 174.9118 149 G 3.6661 8.8793 117.1308 45.1183 0.0000 171.1746 150 P 4.6158 0.0000 0.0000 60.6876 32.7756 175.4397 151 V 4.3617 8.0886 117.4711 61.6529 34.1856 174.1331 152 T 4.9014 8.6633 125.3283 62.0642 70.2753 173.8860 153 I 4.4214 8.9151 128.6168 59.8473 39.4659 174.3153 154 Y 5.2101 8.6578 127.3985 56.0190 40.7306 174.4882 155 I 4.3697 7.9612 127.3768 59.3658 41.1018 174.6246 156 D 4.9108 8.1414 124.0910 52.5904 43.5255 176.0727 157 T 3.6382 9.3342 118.5110 64.6542 68.9321 175.8353 158 H 4.2126 7.9497 120.6927 57.9216 29.8120 175.2175 159 D 4.5943 7.8437 117.4151 55.7878 41.5605 176.5751 160 I 4.2741 7.0376 120.4098 60.1390 39.2371 175.5728 161 N 4.5119 8.3067 118.8913 54.4168 39.3604 174.1398 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 5.18 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 8.98 4.95 0.00 1.58 1.82 0.00 2.56 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.01 0.00 3 V 9.15 4.97 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 0.74 0.00 0.00 1.08 0.00 0.00 4 V 8.90 4.83 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 1.15 0.00 0.00 5 I 9.45 5.02 1.91 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 1.28 0.53 0.94 0.00 0.00 6 Q 9.11 5.73 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.25 0.00 7 R 8.44 4.54 0.00 1.68 1.65 0.00 2.21 0.00 0.00 2.54 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.91 0.00 8 V 8.83 5.08 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 0.74 0.00 0.00 1.03 0.00 0.00 9 K 8.44 4.59 0.00 1.66 1.82 0.00 1.83 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.23 7.81 10 G 7.28 4.84 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 11 A 8.11 5.23 1.19 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 0.00 0.00 0.00 12 I 9.25 4.72 1.87 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 1.11 0.65 0.91 0.00 0.00 13 L 8.92 5.08 0.00 1.66 1.49 0.89 1.03 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 14 S 9.44 5.38 0.00 3.75 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.67 4.84 2.12 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 0.81 0.00 0.00 0.96 0.00 0.00 16 R 8.58 4.12 0.00 1.76 1.90 0.00 3.28 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.80 0.00 17 K 8.24 3.51 0.00 1.91 1.92 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.38 7.81 *25 K 7.73 4.34 0.00 1.79 1.87 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.39 7.81 26 E 8.21 4.07 0.00 2.05 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 2.40 2.35 0.00 27 L 7.66 5.04 0.00 1.60 1.60 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.86 4.70 0.00 2.19 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 2.26 0.00 29 I 8.48 4.62 1.88 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 1.40 0.66 0.96 0.00 0.00 30 I 8.91 4.66 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 1.23 0.67 0.92 0.00 0.00 31 S 7.71 4.67 0.00 3.75 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 32 E 8.96 5.62 0.00 1.77 1.79 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 2.20 2.13 0.00 33 I 8.39 4.61 1.85 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 1.32 0.77 0.92 0.00 0.00 34 K 9.33 4.63 0.00 1.80 1.18 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.52 7.81 35 N 8.06 5.27 0.00 1.44 1.42 0.00 0.00 7.45 7.88 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 36 G 7.46 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 0.00 0.00 0.00 37 L 8.04 5.33 0.00 1.68 1.58 1.09 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.62 4.69 1.76 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 1.48 0.97 0.00 0.00 39 C 8.71 5.14 0.00 2.80 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 40 F 9.11 4.87 0.00 3.02 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 41 L 9.49 5.14 0.00 1.88 1.92 1.10 1.27 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 42 G 9.62 4.79 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 43 I 8.77 5.20 2.17 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.00 1.07 0.00 0.00 44 H 9.77 3.86 0.00 2.90 3.31 0.00 5.59 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.67 3.83 0.00 1.72 1.67 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.33 7.81 46 N 8.04 4.86 0.00 2.80 2.81 0.00 0.00 6.92 8.06 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 47 D 7.54 4.45 0.00 2.79 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 0.00 0.00 0.00 0.00 48 T 8.86 4.67 4.34 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 1.30 0.00 0.00 49 W 8.89 4.63 0.00 3.53 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 50 E 7.88 4.01 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 2.45 2.55 0.00 51 D 8.12 4.48 0.00 3.06 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 52 A 7.93 3.83 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.21 3.47 0.00 1.48 1.53 0.96 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.61 3.83 0.00 3.12 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 55 I 7.96 3.66 1.97 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.71 1.04 0.00 0.00 56 I 7.41 2.97 1.35 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.01 0.33 0.00 0.00 57 R 7.76 3.72 0.00 1.82 1.69 0.00 2.99 0.00 0.00 3.02 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 58 K 7.78 3.85 0.00 1.70 1.74 0.00 1.59 0.00 0.00 1.42 0.00 0.00 2.40 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.91 1.27 7.81 59 C 8.29 4.12 0.00 3.21 3.19 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 0.00 60 L 8.05 4.23 0.00 1.82 1.66 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.80 4.90 0.00 2.68 2.76 0.00 0.00 7.03 7.39 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 62 L 8.42 4.09 0.00 1.79 1.63 0.90 0.83 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 63 R 8.59 4.56 0.00 2.10 2.08 0.00 3.11 0.00 0.00 3.40 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.87 0.00 64 L 8.58 5.15 0.00 0.64 1.31 0.81 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 65 W 8.15 4.72 0.00 3.57 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 66 N 8.56 4.77 0.00 2.62 2.68 0.00 0.00 6.50 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 N 8.51 4.98 0.00 2.59 2.68 0.00 0.00 7.18 8.42 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 68 D 8.51 4.21 0.00 2.86 2.01 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 69 N 9.09 4.45 0.00 2.71 2.89 0.00 0.00 6.79 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 70 K 7.88 4.28 0.00 1.84 1.76 0.00 1.61 0.00 0.00 2.12 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.44 7.81 71 T 7.87 4.72 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 1.13 0.00 0.00 72 W 7.71 4.05 0.00 3.37 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 73 D 8.46 4.76 0.00 2.75 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 74 K 7.92 4.77 0.00 1.90 1.65 0.00 1.66 0.00 0.00 2.02 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.33 7.81 75 N 9.40 6.01 0.00 3.06 3.11 0.00 0.00 6.58 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.81 3.42 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.16 0.00 0.00 77 K 7.79 3.42 0.00 1.75 1.61 0.00 1.44 0.00 0.00 1.55 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.30 1.13 7.81 78 D 8.16 4.41 0.00 2.63 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 79 L 6.62 4.08 0.00 0.27 0.20 0.28 0.76 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 80 N 7.95 4.28 0.00 2.69 2.90 0.00 0.00 6.93 7.44 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 81 Y 7.49 4.89 0.00 2.69 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 82 E 8.79 5.04 0.00 1.96 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 2.23 2.30 0.00 83 L 9.07 5.11 0.00 1.43 1.27 1.15 0.49 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 84 L 8.69 4.94 0.00 1.68 1.40 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.91 4.65 1.79 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.71 0.92 0.00 0.00 86 V 8.50 4.57 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 0.81 0.00 0.00 0.84 0.00 0.00 87 S 8.52 4.77 0.00 3.41 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 88 Q 9.93 4.57 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.56 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 89 F 8.63 4.58 0.00 3.39 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 90 T 6.96 4.02 4.18 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 0.38 0.00 0.00 91 L 7.75 4.00 0.00 1.72 1.59 1.04 0.69 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 92 F 8.27 4.83 0.00 3.31 3.19 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 0.00 93 G 8.36 3.42 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 0.00 0.00 0.00 0.00 94 N 9.46 4.70 0.00 2.71 2.66 0.00 0.00 6.41 5.12 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 95 T 8.40 4.50 4.18 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 1.18 0.00 0.00 96 K 8.70 3.88 0.00 1.87 1.91 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.37 7.81 97 K 7.93 4.11 0.00 1.65 1.70 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.45 7.81 98 G 8.20 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 99 N 8.46 4.56 0.00 2.70 2.85 0.00 0.00 6.72 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 0.00 100 K 7.77 4.26 0.00 1.71 1.71 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.48 7.81 101 P 0.00 4.46 0.00 1.55 1.73 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 102 D 8.40 4.61 0.00 2.52 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 0.00 0.00 0.00 0.00 103 F 8.40 5.32 0.00 3.24 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 0.00 104 H 8.51 4.26 0.00 3.16 3.38 0.00 5.71 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.05 3.95 0.00 1.78 1.60 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.89 4.29 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 K 8.21 3.78 0.00 1.93 1.79 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.60 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.32 7.81 108 E 8.72 4.09 0.00 2.04 1.78 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 2.36 2.27 0.00 109 P 0.00 4.47 0.00 2.24 2.22 0.00 3.63 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 2.04 2.06 0.00 110 N 8.50 4.44 0.00 2.81 2.87 0.00 0.00 7.05 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 0.00 111 E 8.31 4.11 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 2.39 2.37 0.00 112 A 8.34 4.22 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.11 2.59 0.00 0.91 1.54 0.56 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.44 3.67 1.87 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 1.44 1.13 1.03 0.00 0.00 115 F 8.46 4.42 0.00 3.37 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 0.00 116 Y 9.32 4.22 0.00 3.29 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 0.00 117 N 8.80 4.26 0.00 2.83 2.86 0.00 0.00 7.09 7.65 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 0.00 118 K 8.00 3.92 0.00 2.15 1.97 0.00 1.60 0.00 0.00 0.97 0.00 0.00 2.73 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.29 1.58 7.81 119 I 7.63 3.69 1.87 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 1.03 0.38 0.87 0.00 0.00 120 I 7.79 3.77 1.84 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.51 0.86 0.00 0.00 121 D 8.18 4.43 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 0.00 122 E 8.51 4.03 0.00 2.49 2.04 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 2.30 2.27 0.00 123 F 8.43 4.06 0.00 3.36 3.09 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 0.00 0.00 0.00 124 K 8.14 4.12 0.00 1.94 1.90 0.00 1.72 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 1.48 1.63 7.81 125 K 7.80 4.13 0.00 1.95 1.97 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.50 7.81 126 Q 8.28 4.26 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.52 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 127 Y 8.31 5.25 0.00 2.75 2.15 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 0.00 128 N 8.50 4.87 0.00 2.50 2.11 0.00 0.00 6.47 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 0.00 129 D 9.00 4.36 0.00 2.76 2.65 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 0.00 130 D 8.10 4.47 0.00 2.72 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 0.00 131 K 7.89 4.30 0.00 1.03 1.56 0.00 1.88 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.99 0.60 7.81 132 I 7.53 4.80 1.84 0.00 0.00 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 1.37 0.95 0.75 0.00 0.00 133 K 9.95 4.56 0.00 1.81 1.68 0.00 1.48 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.40 7.81 134 I 7.79 4.87 2.09 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.30 0.91 0.00 0.00 135 G 8.12 4.10 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 0.00 0.00 0.00 136 K 8.42 4.47 0.00 1.77 1.65 0.00 1.76 0.00 0.00 1.95 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.44 7.81 137 F 9.12 3.93 0.00 2.90 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 0.00 138 G 7.81 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 0.00 139 N 7.42 5.04 0.00 2.81 2.75 0.00 0.00 6.78 8.65 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 0.00 140 Y 8.53 4.20 0.00 2.93 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 0.00 141 M 7.03 4.75 0.00 1.71 1.68 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.41 0.00 142 N 9.04 4.71 0.00 2.81 2.65 0.00 0.00 7.10 7.40 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 0.00 143 I 8.27 4.82 1.93 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 1.31 0.75 0.93 0.00 0.00 144 D 9.29 4.55 0.00 2.56 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 0.00 145 V 8.33 4.46 2.15 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 0.89 0.00 0.00 1.02 0.00 0.00 146 T 8.52 4.28 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 0.00 147 N 8.66 4.92 0.00 2.62 2.76 0.00 0.00 6.94 8.06 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 0.00 148 D 9.44 4.51 0.00 2.80 2.65 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 0.00 149 G 8.88 3.67 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 0.00 0.00 0.00 150 P 0.00 4.62 0.00 2.21 2.08 0.00 3.33 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.91 0.00 151 V 8.09 4.36 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 1.22 0.00 0.00 0.97 0.00 0.00 152 T 8.66 4.90 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 1.27 0.00 0.00 153 I 8.92 4.42 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 1.12 1.26 0.90 0.00 0.00 154 Y 8.66 5.21 0.00 2.94 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 I 7.96 4.37 1.81 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 1.10 0.70 1.02 0.00 0.00 156 D 8.14 4.91 0.00 2.51 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 0.00 157 T 9.33 3.64 4.09 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 0.00 0.00 1.41 0.00 0.00 158 H 7.95 4.21 0.00 3.07 3.59 0.00 5.94 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 0.00 159 D 7.84 4.59 0.00 2.82 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 0.00 160 I 7.04 4.27 1.53 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 -0.36 0.74 0.00 0.00 161 N 8.31 4.51 0.00 2.61 2.60 0.00 0.00 6.60 7.56 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 * Residues marked with a * may have inaccurate shift predictions.