NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 201 A 4.0572 8.1233 122.4564 51.9795 20.8591 175.7914 *203 D 4.5921 8.5378 118.4401 54.6022 40.8718 176.1907 204 C 4.5064 8.8352 121.2192 59.5236 41.8622 173.9618 205 A 4.7540 7.3798 117.8467 50.7802 22.5840 175.3417 206 K 4.7136 7.9069 120.3443 53.9677 35.7752 176.6707 207 G 3.8616 7.5985 113.0277 46.0867 0.0000 171.5581 208 K 4.6707 8.0689 118.9575 55.5579 33.1897 176.4957 209 I 4.1135 8.0485 122.3195 60.9418 37.6835 175.8105 210 E 4.2884 9.2440 128.3868 58.9286 29.9893 176.6034 211 F 5.1235 7.3494 112.0627 55.9495 40.9765 172.7022 212 S 5.1885 8.8382 113.8453 56.7583 66.4416 173.2723 213 K 4.5191 8.2897 121.7049 55.4873 35.7300 173.8700 214 Y 4.7873 8.8476 129.3584 56.9663 39.7343 174.6553 215 N 4.8608 8.5786 124.4475 51.6476 40.3502 175.9296 216 E 4.0496 8.6413 120.8713 59.1576 29.8488 177.1960 217 D 4.5727 7.9237 116.0869 53.1181 39.5168 176.3562 218 N 3.9746 7.9376 115.2920 54.1133 36.6301 174.1734 219 T 4.6099 7.6675 109.8144 60.7873 71.4731 173.1824 220 F 5.3302 9.1491 123.5008 56.7471 42.7480 173.5628 221 T 5.3446 8.4362 121.8667 61.9558 71.6780 173.5360 222 V 4.7156 9.0376 118.0461 59.3584 36.4562 174.2956 223 K 4.6661 8.0409 124.8995 54.5936 34.4401 175.0362 224 V 4.5001 8.3676 127.0067 61.5117 34.8986 175.5638 225 S 3.6810 9.5612 123.8124 59.8340 60.0910 173.3259 226 G 3.9354 8.3710 105.3995 45.8656 0.0000 173.7973 227 R 4.6210 7.6682 118.3134 54.1937 33.7399 174.5057 228 E 4.8869 8.3347 121.2309 55.1477 31.9121 174.8150 229 Y 5.3440 8.9805 120.3667 56.0917 42.8956 174.2281 230 W 5.7915 8.7088 118.2191 55.2684 32.3109 173.9285 231 T 4.6426 9.1725 114.6264 60.2506 70.5653 173.6667 232 N 4.9064 8.7336 122.5238 52.6933 37.9600 175.3103 233 R 4.3198 7.8916 120.2194 54.8971 28.9041 177.1635 234 W 4.3666 8.7543 121.3441 58.6012 28.5673 178.5688 235 N 3.6127 6.9978 116.2004 55.8894 38.2327 176.8504 236 L 4.1232 7.7489 118.2815 57.3495 41.4225 179.0760 237 Q 3.1622 7.5981 118.6391 58.5469 28.6206 177.6779 238 P 4.1927 0.0000 0.0000 65.6773 31.2938 178.3978 239 L 3.8074 7.7271 118.2956 57.6874 41.6094 179.2934 240 L 4.3066 8.7270 119.3737 57.8821 41.5375 179.4217 241 Q 4.1581 8.5126 119.8936 59.2074 29.0112 178.3011 242 S 4.0992 8.3674 116.1605 61.5618 62.9179 176.3752 243 A 4.0787 8.2898 123.6028 55.3781 18.1506 179.5115 244 Q 3.9811 8.3447 117.9428 59.3607 28.9421 178.0563 245 L 4.0750 8.4269 119.3996 58.3404 41.8739 179.5178 246 T 4.1330 8.3369 108.8599 62.7608 69.0289 174.6355 247 G 3.8258 7.7125 109.0073 46.3933 0.0000 173.6069 248 M 4.4469 7.8088 117.9840 54.9562 33.4407 176.4361 249 T 4.5255 8.3983 117.5226 62.9838 70.2554 174.3924 250 V 4.6782 8.8146 119.9055 59.7327 35.4313 174.9386 251 T 4.6562 8.1822 119.5431 61.8244 71.5953 173.1674 252 I 3.9224 8.1789 128.4795 60.1986 38.4926 174.9749 253 I 4.8527 7.6219 128.1567 59.6394 39.2060 174.9246 254 S 4.4265 8.3752 120.1563 57.9740 65.4542 174.4231 255 N 4.4944 8.8922 119.4484 54.6800 38.7480 175.7788 256 T 4.5107 7.7784 108.0259 60.2323 70.0659 174.4529 257 C 4.8316 8.7364 123.1011 56.4217 35.7170 174.1487 258 S 4.4008 7.7917 116.0662 57.4986 63.4515 173.5239 259 S 3.7378 8.4355 117.3585 60.4425 62.2545 174.6093 260 G 4.0676 9.2016 116.4112 45.1092 0.0000 173.7062 261 S 4.6371 7.8470 115.8903 58.0080 64.4358 174.0677 262 G 2.8082 8.2365 109.1985 45.4125 0.0000 172.7919 263 F 4.9800 7.5635 114.1242 55.3731 40.9584 174.2999 264 A 4.4284 8.4324 120.2038 51.7302 20.7595 175.2473 265 E 4.8997 8.2081 118.7635 55.2646 33.0872 174.7139 266 V 4.7422 8.3193 124.6645 60.4543 34.6053 172.9687 267 Q 4.5494 8.5619 124.7624 54.3490 31.3810 173.8502 268 F 5.2776 8.8582 124.5105 55.8440 41.1738 175.3780 269 N 4.7174 8.9727 120.3307 53.4288 38.8241 174.3362 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 201 A 8.12 4.06 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 *203 D 8.54 4.59 0.00 2.52 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 0.00 204 C 8.84 4.51 0.00 2.47 2.96 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 0.00 205 A 7.38 4.75 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 206 K 7.91 4.71 0.00 1.46 1.58 0.00 1.89 0.00 0.00 1.66 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.30 7.81 207 G 7.60 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 0.00 208 K 8.07 4.67 0.00 1.76 1.76 0.00 1.86 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.41 7.81 209 I 8.05 4.11 1.92 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.48 0.94 0.00 0.00 210 E 9.24 4.29 0.00 1.93 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.31 0.00 211 F 7.35 5.12 0.00 3.10 3.11 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 0.00 212 S 8.84 5.19 0.00 3.47 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 0.00 213 K 8.29 4.52 0.00 1.95 1.71 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.43 7.81 214 Y 8.85 4.79 0.00 3.39 2.99 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 0.00 215 N 8.58 4.86 0.00 2.87 2.63 0.00 0.00 6.21 7.71 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 0.00 216 E 8.64 4.05 0.00 1.95 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 2.30 2.34 0.00 217 D 7.92 4.57 0.00 2.71 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 0.00 218 N 7.94 3.97 0.00 2.91 3.01 0.00 0.00 6.86 6.86 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 0.00 219 T 7.67 4.61 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 1.14 0.00 0.00 220 F 9.15 5.33 0.00 3.15 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 0.00 221 T 8.44 5.34 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 1.34 0.00 0.00 222 V 9.04 4.72 2.07 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 0.87 0.00 0.00 1.05 0.00 0.00 223 K 8.04 4.67 0.00 0.79 0.82 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.15 1.25 7.81 224 V 8.37 4.50 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 0.89 0.00 0.00 0.84 0.00 0.00 225 S 9.56 3.68 0.00 4.06 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 0.00 226 G 8.37 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 0.00 227 R 7.67 4.62 0.00 1.75 1.33 0.00 3.23 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 228 E 8.33 4.89 0.00 1.83 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 0.00 2.14 2.21 0.00 229 Y 8.98 5.34 0.00 2.74 2.92 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 0.00 230 W 8.71 5.79 0.00 3.60 3.24 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 0.00 231 T 9.17 4.64 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 232 N 8.73 4.91 0.00 2.96 3.10 0.00 0.00 6.09 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 0.00 233 R 7.89 4.32 0.00 1.76 1.81 0.00 3.25 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 234 W 8.75 4.37 0.00 3.72 3.43 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 0.00 235 N 7.00 3.61 0.00 2.37 2.53 0.00 0.00 6.97 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 0.00 236 L 7.75 4.12 0.00 1.88 1.79 0.93 1.10 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 0.00 237 Q 7.60 3.16 0.00 2.07 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.50 2.22 0.00 238 P 0.00 4.19 0.00 2.21 2.28 0.00 3.73 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 2.08 2.01 0.00 239 L 7.73 3.81 0.00 1.87 1.41 0.85 0.49 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 0.00 240 L 8.73 4.31 0.00 2.06 2.11 1.36 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 241 Q 8.51 4.16 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 242 S 8.37 4.10 0.00 3.98 3.87 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 0.00 243 A 8.29 4.08 1.67 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 0.00 244 Q 8.34 3.98 0.00 2.25 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.72 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 245 L 8.43 4.08 0.00 1.88 1.75 0.96 1.11 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 0.00 246 T 8.34 4.13 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 1.22 0.00 0.00 247 G 7.71 3.83 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 0.00 0.00 0.00 248 M 7.81 4.45 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.57 0.00 249 T 8.40 4.53 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 1.17 0.00 0.00 250 V 8.81 4.68 1.71 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 0.80 0.00 0.00 0.76 0.00 0.00 251 T 8.18 4.66 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 1.07 0.00 0.00 252 I 8.18 3.92 1.03 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.50 -0.35 0.00 0.00 253 I 7.62 4.85 1.90 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 0.99 0.57 0.93 0.00 0.00 254 S 8.38 4.43 0.00 3.79 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 0.00 255 N 8.89 4.49 0.00 2.74 2.85 0.00 0.00 6.72 7.54 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 0.00 256 T 7.78 4.51 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 0.00 257 C 8.74 4.83 0.00 3.01 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 258 S 7.79 4.40 0.00 4.01 4.01 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 0.00 259 S 8.44 3.74 0.00 3.69 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 0.00 260 G 9.20 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 0.00 261 S 7.85 4.64 0.00 4.05 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 0.00 262 G 8.24 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 0.00 263 F 7.56 4.98 0.00 3.00 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 0.00 264 A 8.43 4.43 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 265 E 8.21 4.90 0.00 1.99 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 2.23 2.27 0.00 266 V 8.32 4.74 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 0.73 0.00 0.00 0.27 0.00 0.00 267 Q 8.56 4.55 0.00 2.03 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 268 F 8.86 5.28 0.00 2.88 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 0.00 269 N 8.97 4.72 0.00 2.55 2.66 0.00 0.00 6.90 7.25 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 * Residues marked with a * may have inaccurate shift predictions.