NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *13 F 4.4855 8.3244 119.0102 57.2981 39.9437 173.1583 14 E 3.5292 8.4596 115.1977 58.0464 26.5933 171.4937 15 T 4.7239 8.2911 118.7276 61.7266 70.7764 172.8520 16 I 4.1084 8.4174 126.6631 60.5412 37.5803 175.6149 17 E 4.3454 8.4518 127.1189 57.3937 30.9867 175.6879 18 R 4.5223 7.1596 116.5276 55.6717 33.3507 173.0811 19 F 4.3256 9.0055 124.7687 57.2058 39.0932 175.3208 20 M 4.1939 9.0456 124.9270 57.3804 33.2452 175.3509 21 D 4.8131 7.2518 115.7708 53.7941 45.2656 173.0217 22 C 5.6805 8.3979 117.8187 58.6993 34.8948 172.8692 23 R 4.4147 8.7448 118.1697 56.0292 32.8744 172.9974 24 I 5.1029 7.7797 120.6075 59.0977 38.1301 175.4830 25 G 2.8093 7.7611 112.7248 43.3302 0.0000 171.0815 26 R 4.3665 7.2711 119.3384 56.2883 30.8231 175.8950 27 K 4.7630 8.1332 124.5985 57.9278 33.0427 176.8108 28 G 3.9648 9.0759 109.7730 45.7499 0.0000 174.1389 29 A 4.3193 7.4639 124.0024 52.1304 17.1612 176.5189 30 T 4.8507 7.3894 110.1691 60.7789 73.0730 175.0671 31 G 4.0532 9.1737 108.0168 43.6260 0.0000 173.6532 32 A 3.8483 8.8133 120.3666 55.7855 18.2963 179.8387 33 T 4.1583 7.9061 101.6226 63.0707 68.5742 174.5627 34 T 4.5267 7.8089 111.3208 61.5543 69.5807 175.1107 35 T 4.0956 7.3501 113.6429 61.6750 70.6168 175.3064 36 I 3.7253 7.5174 124.2807 64.7462 37.2225 178.4857 37 Y 4.1982 7.5369 117.7216 59.6063 37.9354 177.7147 38 A 4.1064 7.1423 122.9152 54.4412 18.7414 179.6849 39 V 3.7227 7.9487 118.5070 65.9036 31.4949 178.2399 40 E 4.0183 8.3402 116.9456 59.5000 29.2745 178.8360 41 A 4.2141 7.8391 120.4110 53.8767 18.5838 178.5348 42 D 4.7687 8.7660 115.7243 53.7164 41.4121 177.6671 43 G 4.1136 8.4552 105.3991 45.3792 0.0000 173.1376 44 D 4.6882 8.2622 119.8280 53.0400 41.7913 175.2745 45 P 4.4651 0.0000 0.0000 64.0064 32.1948 175.9565 46 N 4.5498 9.0718 117.9686 53.0590 38.9482 174.2239 47 A 4.1125 7.3171 119.8985 54.2355 18.7391 178.7766 48 G 3.8610 8.8179 107.8039 45.6230 0.0000 173.5724 49 F 4.3041 8.0311 122.0310 56.8608 40.2698 173.9361 50 E 5.2642 5.9000 128.0457 56.2266 30.2685 177.2274 51 K 4.2850 8.2562 125.1672 53.8821 29.4472 173.2136 52 N 4.3761 7.4614 123.5059 52.7097 39.7665 176.4572 53 K 4.3272 7.4264 121.3986 53.9169 33.3761 182.5383 54 E 4.6583 8.3742 121.5365 54.6736 28.3638 173.3613 55 P 4.4132 0.0000 0.0000 64.4989 33.8549 177.7470 56 G 3.7565 7.7437 104.2638 44.2528 0.0000 173.5659 57 E 4.7639 8.0339 126.3176 54.3259 34.6844 174.6053 58 I 4.5860 8.1624 122.2044 60.2643 38.5843 175.3239 59 Q 4.7094 9.1453 125.7522 54.1805 32.4115 173.9505 60 Y 5.1605 9.0587 120.9612 56.1233 41.2136 175.0175 61 L 3.5168 8.0739 126.6343 54.1351 42.3231 175.0553 62 I 3.8024 7.6541 122.1910 57.8025 36.8335 174.0994 63 K 3.7418 7.6304 129.8360 57.8472 33.1453 175.0351 64 W 5.0816 8.6152 126.1149 54.7340 31.8483 175.5690 65 K 4.4566 7.9201 124.3872 57.3420 32.0403 177.5308 66 G 3.7482 9.5607 114.0229 45.0044 0.0000 172.9281 67 W 5.1314 7.6305 118.5864 54.5853 33.1865 175.3556 68 S 4.6266 8.8359 116.6792 57.7075 63.8409 174.5644 69 H 4.8698 9.3145 116.9742 58.2741 27.8282 177.9590 70 I 3.7626 7.9787 112.1160 63.6771 37.3641 176.7978 71 H 4.5226 8.2263 116.3658 56.0828 29.2931 175.2115 72 N 4.7002 8.3705 119.3255 53.8848 39.6251 174.1335 73 T 4.9207 8.4484 111.2195 59.8305 73.5116 171.9671 74 W 5.0094 8.8668 121.1361 55.2976 31.2274 175.7964 75 E 5.1726 9.2357 123.7455 54.8365 33.6516 174.6689 76 T 4.9520 10.4661 115.2349 61.2292 72.7714 175.2220 77 E 4.0028 9.4934 124.8922 59.9715 29.5424 179.2460 78 E 3.9976 8.2890 118.6847 59.4654 29.9373 178.7200 79 T 3.9511 7.8233 109.4438 64.7773 68.9954 176.4730 80 L 4.2319 8.8998 122.6406 57.7563 41.4559 178.8179 81 K 3.8268 8.5153 116.7678 61.2513 32.3362 177.8786 82 Q 4.2131 8.3508 119.6167 56.8086 29.0113 177.2580 83 Q 4.2113 7.6405 118.5742 55.7310 29.9631 174.8472 84 N 4.3139 8.2235 115.1028 54.2722 35.7509 175.1008 85 V 4.0864 7.6392 109.2686 60.8192 32.9258 176.7322 86 R 4.4312 8.3412 121.4886 55.7195 31.7933 177.3276 87 G 4.2754 9.0215 106.7583 45.5568 0.0000 175.2916 88 M 4.1619 8.3102 120.5952 58.3220 32.5005 178.2636 89 K 4.0329 8.2717 120.2280 58.9481 31.9817 178.2911 90 K 3.7186 8.3484 118.7432 59.4037 31.9324 178.5838 91 L 3.1627 8.1615 120.5539 58.1696 41.5454 178.3460 92 D 4.3285 8.0174 117.8506 58.0382 40.6239 179.0860 93 N 4.2583 7.8697 115.1963 56.3578 38.6810 176.6020 94 Y 4.0890 7.8704 121.5176 60.0114 38.4962 177.8908 95 K 4.4303 8.2009 116.9192 55.6137 32.7623 177.3468 96 K 4.3386 8.1638 123.9326 54.2817 31.6538 174.4512 97 K 4.4660 8.0570 124.4537 55.2269 36.1354 175.9578 98 D 4.9761 8.5540 123.6491 52.2048 43.9575 173.6830 99 Q 4.3326 8.5064 113.4030 56.8227 28.4802 171.7366 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 *13 F 8.32 4.49 0.00 2.32 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 0.00 0.00 0.00 0.00 14 E 8.46 3.53 0.00 2.24 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 1.77 2.13 0.00 15 T 8.29 4.72 4.38 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 16 I 8.42 4.11 1.91 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.98 nan 0.00 0.00 17 E 8.45 4.35 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 18 R 7.16 4.52 0.00 1.85 1.62 0.00 3.21 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.47 0.00 19 F 9.01 4.33 0.00 2.21 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 0.00 0.00 0.00 20 M 9.05 4.19 0.00 1.73 1.90 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 21 D 7.25 4.81 0.00 2.53 2.45 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 22 C 8.40 5.68 0.00 3.66 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.74 4.41 0.00 1.67 1.91 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.97 0.00 24 I 7.78 5.10 1.88 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 1.25 0.09 1.04 0.00 0.00 25 G 7.76 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 0.00 0.00 0.00 26 R 7.27 4.37 0.00 2.07 1.79 0.00 3.38 0.00 0.00 3.43 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.82 0.00 27 K 8.13 4.76 0.00 1.94 1.82 0.00 1.28 0.00 0.00 2.37 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.36 7.81 28 G 9.08 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.46 4.32 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 0.00 0.00 0.00 0.00 0.00 30 T 7.39 4.85 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 1.24 0.00 0.00 31 G 9.17 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 0.00 0.00 0.00 32 A 8.81 3.85 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 33 T 7.91 4.16 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 1.19 0.00 0.00 34 T 7.81 4.53 4.53 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 1.31 0.00 0.00 35 T 7.35 4.10 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 36 I 7.52 3.73 1.92 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 1.58 0.80 1.04 0.00 0.00 37 Y 7.54 4.20 0.00 3.21 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 38 A 7.14 4.11 1.15 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 0.00 0.00 39 V 7.95 3.72 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.94 0.00 0.00 40 E 8.34 4.02 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 41 A 7.84 4.21 1.45 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 0.00 0.00 42 D 8.77 4.77 0.00 2.60 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 43 G 8.46 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 44 D 8.26 4.69 0.00 2.76 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 45 P 0.00 4.47 0.00 2.18 2.12 0.00 3.77 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 1.92 2.02 0.00 46 N 9.07 4.55 0.00 2.45 2.69 0.00 0.00 6.93 8.81 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 47 A 7.32 4.11 1.28 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 0.00 0.00 0.00 48 G 8.82 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 49 F 8.03 4.30 0.00 3.08 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 50 E 5.90 5.26 0.00 2.08 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 1.87 1.76 0.00 51 K 8.26 4.28 0.00 1.80 1.70 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.01 7.81 52 N 7.46 4.38 0.00 2.66 2.78 0.00 0.00 6.18 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 53 K 7.43 4.33 0.00 1.75 1.62 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.27 7.81 54 E 8.37 4.66 0.00 1.91 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 2.23 2.34 0.00 55 P 0.00 4.41 0.00 2.30 2.16 0.00 3.88 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.11 0.00 56 G 7.74 3.76 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 0.00 0.00 0.00 57 E 8.03 4.76 0.00 1.75 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 2.43 0.00 58 I 8.16 4.59 1.74 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 1.31 0.49 0.58 0.00 0.00 59 Q 9.15 4.71 0.00 1.67 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.18 0.00 60 Y 9.06 5.16 0.00 2.56 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.07 3.52 0.00 0.27 0.94 -0.07 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 62 I 7.65 3.80 0.56 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.42 -0.41 0.00 0.00 63 K 7.63 3.74 0.00 1.62 1.67 0.00 0.91 0.00 0.00 1.49 0.00 0.00 2.72 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.33 7.81 64 W 8.62 5.08 0.00 3.58 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.92 4.46 0.00 1.75 1.97 0.00 1.71 0.00 0.00 1.60 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.37 7.81 66 G 9.56 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 67 W 7.63 5.13 0.00 3.32 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 68 S 8.84 4.63 0.00 4.13 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 69 H 9.31 4.87 0.00 3.30 3.46 0.00 6.10 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.98 3.76 2.01 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 1.40 0.76 0.98 0.00 0.00 71 H 8.23 4.52 0.00 3.50 3.29 0.00 5.67 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 72 N 8.37 4.70 0.00 2.54 2.51 0.00 0.00 6.41 7.07 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 73 T 8.45 4.92 4.48 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 1.33 0.00 0.00 74 W 8.87 5.01 0.00 3.26 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 E 9.24 5.17 0.00 1.89 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 2.40 2.76 0.00 76 T 10.47 4.95 4.29 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 1.32 0.00 0.00 77 E 9.49 4.00 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 78 E 8.29 4.00 0.00 2.12 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 2.41 2.40 0.00 79 T 7.82 3.95 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 1.26 0.00 0.00 80 L 8.90 4.23 0.00 1.91 1.87 1.00 1.05 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 81 K 8.52 3.83 0.00 1.88 2.21 0.00 1.52 0.00 0.00 1.79 0.00 0.00 3.19 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.57 7.81 82 Q 8.35 4.21 0.00 2.25 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.78 0.00 83 Q 7.64 4.21 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.49 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 84 N 8.22 4.31 0.00 2.94 3.01 0.00 0.00 7.06 7.83 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 85 V 7.64 4.09 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.11 0.00 0.00 86 R 8.34 4.43 0.00 1.89 1.88 0.00 3.29 0.00 0.00 3.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 87 G 9.02 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 0.00 0.00 0.00 0.00 88 M 8.31 4.16 0.00 2.09 2.19 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 2.75 2.70 0.00 89 K 8.27 4.03 0.00 1.85 1.82 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.45 7.81 90 K 8.35 3.72 0.00 1.80 1.64 0.00 1.74 0.00 0.00 1.54 0.00 0.00 3.08 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.71 7.81 91 L 8.16 3.16 0.00 1.80 1.65 1.05 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.02 4.33 0.00 2.83 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 93 N 7.87 4.26 0.00 2.70 2.80 0.00 0.00 7.12 6.75 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 94 Y 7.87 4.09 0.00 2.18 2.36 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 95 K 8.20 4.43 0.00 1.81 1.78 0.00 1.70 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.55 7.81 96 K 8.16 4.34 0.00 1.56 1.58 0.00 1.62 0.00 0.00 1.64 0.00 0.00 3.17 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.28 1.34 7.81 97 K 8.06 4.47 0.00 1.62 1.58 0.00 1.15 0.00 0.00 1.49 0.00 0.00 2.93 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.20 1.32 7.81 98 D 8.55 4.98 0.00 2.64 2.42 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 99 Q 8.51 4.33 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.62 0.00 0.00 0.00 0.00 0.00 2.19 1.89 0.00 * Residues marked with a * may have inaccurate shift predictions.