#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3irc n MET 297 N 0.00 0.59 -3.52 1.61 2.00 -1.26 -5.17 117.12 111.37 3irc n MET 297 Ca 0.00 -2.33 -0.28 0.00 0.00 0.00 0.00 57.70 55.08 3irc n MET 297 Cb 0.00 2.26 -0.14 0.00 0.00 0.00 0.00 33.22 35.33 3irc n MET 297 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 3irc s SER 298 N -2.81 3.30 0.10 7.83 0.15 -1.26 -5.14 113.70 115.87 3irc s SER 298 Ca 0.24 -1.42 0.04 0.00 0.70 0.00 0.00 55.95 55.51 3irc s SER 298 Cb -0.01 -0.30 -0.04 0.00 -1.71 0.00 0.00 66.02 63.97 3irc s SER 298 CO 0.17 -0.41 0.09 -0.31 1.20 0.00 0.00 173.24 173.98 3irc s TYR 299 N 1.93 3.16 0.59 3.44 2.02 -1.26 -5.10 117.35 122.13 3irc s TYR 299 Ca 0.11 0.04 -0.13 0.00 -0.37 0.00 0.00 57.07 56.72 3irc s TYR 299 Cb -0.17 -1.58 -0.05 0.00 -0.40 0.00 0.00 41.96 39.76 3irc s TYR 299 CO -0.30 0.52 1.02 0.14 -1.57 0.00 0.00 175.55 175.36 3irc s VAL 300 N -1.48 4.45 0.08 0.71 -7.23 -1.26 -4.80 120.40 110.87 3irc s VAL 300 Ca 0.29 0.96 -0.31 0.00 -1.81 0.00 0.00 61.98 61.11 3irc s VAL 300 Cb -0.12 -3.69 -0.07 0.00 0.56 0.00 0.00 36.38 33.06 3irc s VAL 300 CO 0.22 -0.88 1.31 -0.04 -0.31 0.00 0.00 175.10 175.40 3irc s MET 301 N -4.66 4.36 0.15 4.82 -1.94 -1.26 -0.48 119.30 120.28 3irc s MET 301 Ca 0.58 1.94 -0.34 0.00 -1.71 0.00 0.00 55.69 56.15 3irc s MET 301 Cb -0.12 -3.32 -0.15 0.00 2.01 0.00 0.00 34.83 33.26 3irc s MET 301 CO 0.45 -0.37 1.46 0.00 -0.01 0.00 0.00 175.02 176.55 3irc n THR 303 N 2.87 0.00 -1.63 0.00 -2.24 -1.26 -4.58 114.28 107.44 3irc n THR 303 Ca 0.17 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 3irc n THR 303 Cb 0.26 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 3irc n THR 303 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3irc n GLY 304 N 1.37 0.66 3.88 3.38 0.00 -1.26 -4.87 105.19 108.35 3irc n GLY 304 Ca 0.04 -1.89 -0.32 0.00 0.00 0.00 0.00 46.02 43.84 3irc n GLY 304 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3irc s SER 305 N -1.00 6.60 -0.06 1.61 0.01 -1.26 -4.68 113.70 114.91 3irc s SER 305 Ca 0.00 0.80 0.02 0.00 1.31 0.00 0.00 55.95 58.08 3irc s SER 305 Cb 0.00 -2.18 -0.03 0.00 0.21 0.00 0.00 66.02 64.03 3irc s SER 305 CO 0.00 0.02 -0.12 -0.36 0.41 0.00 0.00 173.24 173.20 3irc s PHE 306 N -1.67 2.79 0.13 2.43 0.08 -1.26 -0.12 117.98 120.37 3irc s PHE 306 Ca 0.42 -0.13 0.06 0.00 0.12 0.00 0.00 56.93 57.40 3irc s PHE 306 Cb -0.12 -1.68 -0.04 0.00 -0.57 0.00 0.00 43.02 40.61 3irc s PHE 306 CO 0.22 0.20 -0.02 0.15 -0.10 0.00 0.00 175.22 175.67 3irc s LYS 307 N -0.66 2.39 -0.21 0.44 -0.14 -0.25 -4.42 119.74 116.88 3irc s LYS 307 Ca 0.10 -1.00 -0.22 0.00 -1.36 0.00 0.00 55.97 53.48 3irc s LYS 307 Cb -0.11 -2.40 -0.02 0.00 -1.68 0.00 0.00 37.83 33.62 3irc s LYS 307 CO 0.01 0.49 0.71 -1.17 -0.76 0.00 0.00 175.35 174.63 3irc s LEU 308 N -2.58 4.12 0.02 3.17 2.96 -1.26 -1.01 118.68 124.09 3irc s LEU 308 Ca 0.26 0.90 -0.01 0.00 -0.22 0.00 0.00 54.13 55.06 3irc s LEU 308 Cb -0.10 -3.00 -0.27 0.00 0.50 0.00 0.00 46.19 43.32 3irc s LEU 308 CO 0.17 -0.37 0.90 -0.08 -1.32 0.00 0.00 176.35 175.66 3irc h GLU 309 N 7.59 0.20 -3.41 1.98 4.57 -1.36 -3.47 114.58 120.69 3irc h GLU 309 Ca -0.28 -0.35 -0.06 0.00 -1.18 0.00 0.00 59.36 57.49 3irc h GLU 309 Cb 1.13 0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 29.79 3irc h GLU 309 CO 0.80 1.06 0.06 -1.59 -1.18 0.00 0.00 179.01 178.16 3irc s LYS 310 N -2.63 1.87 0.51 1.92 -2.85 -1.25 -5.08 119.74 112.23 3irc s LYS 310 Ca -0.07 -1.34 -0.23 0.00 -1.00 0.00 0.00 55.97 53.32 3irc s LYS 310 Cb 0.07 0.54 -0.06 0.00 -2.06 0.00 0.00 37.83 36.32 3irc s LYS 310 CO 0.85 -0.83 1.39 -1.21 0.10 0.00 0.00 175.35 175.65 3irc s GLU 311 N -3.32 3.35 0.18 1.78 2.02 -1.26 -4.65 118.70 116.80 3irc s GLU 311 Ca 0.19 2.31 -0.31 0.00 0.02 0.00 0.00 54.97 57.19 3irc s GLU 311 Cb -0.03 -2.41 -0.09 0.00 0.10 0.00 0.00 34.13 31.70 3irc s GLU 311 CO 0.11 -1.05 1.41 0.08 0.02 0.00 0.00 175.26 175.83 3irc s VAL 312 N -1.26 3.00 0.20 2.63 1.01 -1.26 -4.86 120.40 119.86 3irc s VAL 312 Ca 0.68 0.78 0.05 0.00 0.00 0.00 0.00 61.98 63.49 3irc s VAL 312 Cb -0.42 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 3irc s VAL 312 CO 0.51 0.09 0.20 0.00 0.00 0.00 0.00 175.10 175.90 3irc s ALA 313 N 0.54 3.66 -0.12 5.51 0.00 -0.62 -4.96 121.76 125.78 3irc s ALA 313 Ca 0.62 -1.27 0.03 0.00 0.00 0.00 0.00 51.96 51.34 3irc s ALA 313 Cb -0.39 -1.43 0.00 0.00 0.00 0.00 0.00 23.12 21.30 3irc s ALA 313 CO 0.36 0.39 -0.22 -2.00 0.00 0.00 0.00 175.76 174.29 3irc s GLU 314 N -3.48 3.07 0.73 0.00 2.12 -1.26 -0.40 118.70 119.48 3irc s GLU 314 Ca 0.32 -0.85 -0.07 0.00 0.36 0.00 0.00 54.97 54.74 3irc s GLU 314 Cb -0.09 -2.40 0.08 0.00 0.26 0.00 0.00 34.13 31.98 3irc s GLU 314 CO 0.25 0.09 1.04 0.95 -0.54 0.00 0.00 175.26 177.05 3irc s THR 315 N 0.58 2.23 0.42 -1.70 -4.23 0.08 -4.95 115.64 108.07 3irc s THR 315 Ca -0.12 -0.28 0.40 0.00 -1.18 0.00 0.00 61.69 60.50 3irc s THR 315 Cb -0.17 -2.95 0.41 0.00 1.34 0.00 0.00 72.50 71.13 3irc s THR 315 CO 0.03 0.00 2.20 0.06 -0.54 0.00 0.00 174.62 176.37 3irc h GLN 316 N -0.70 0.00 -1.44 3.99 -0.00 -2.01 -3.32 115.11 111.64 3irc h GLN 316 Ca -0.43 0.00 -0.56 0.00 -0.00 0.00 0.00 58.65 57.65 3irc h GLN 316 Cb 1.30 0.00 -0.42 0.00 -0.00 0.00 0.00 27.48 28.36 3irc h GLN 316 CO 0.55 0.00 -0.79 -2.39 -0.00 0.00 0.00 178.83 176.21 3irc n HIS 317 N -2.99 3.13 -0.98 0.06 1.44 -1.26 -4.97 115.22 109.65 3irc n HIS 317 Ca -0.02 -3.05 0.00 0.00 -2.01 0.00 0.00 57.72 52.64 3irc n HIS 317 Cb 0.14 -0.12 0.00 0.00 0.12 0.00 0.00 29.99 30.12 3irc n HIS 317 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3irc n GLY 318 N -0.44 0.17 3.79 -1.39 0.00 -1.25 -4.98 105.19 101.09 3irc n GLY 318 Ca 0.36 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.15 3irc n GLY 318 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3irc s THR 319 N -1.36 3.27 0.07 2.61 -4.23 -1.26 -4.40 115.64 110.34 3irc s THR 319 Ca 0.00 -1.54 0.10 0.00 -1.18 0.00 0.00 61.69 59.07 3irc s THR 319 Cb 0.00 -3.08 -0.03 0.00 1.34 0.00 0.00 72.50 70.73 3irc s THR 319 CO 0.00 -0.18 -0.26 0.68 -0.54 0.00 0.00 174.62 174.32 3irc s VAL 320 N -2.37 2.13 -0.24 2.29 -7.23 0.59 -0.74 120.40 114.84 3irc s VAL 320 Ca 0.39 -1.50 -0.07 0.00 -1.81 0.00 0.00 61.98 59.00 3irc s VAL 320 Cb -0.04 -1.85 -0.03 0.00 0.56 0.00 0.00 36.38 35.02 3irc s VAL 320 CO 0.24 0.25 0.05 -0.76 -0.31 0.00 0.00 175.10 174.58 3irc s LEU 321 N -1.52 3.38 -0.10 1.32 1.43 0.47 -1.73 118.68 121.93 3irc s LEU 321 Ca 0.12 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.04 3irc s LEU 321 Cb -0.10 -1.89 -0.01 0.00 0.03 0.00 0.00 46.19 44.22 3irc s LEU 321 CO 0.03 -0.01 -0.20 -0.69 0.23 0.00 0.00 176.35 175.71 3irc s VAL 322 N 1.44 2.42 -0.21 -1.59 1.01 0.18 -1.58 120.40 122.06 3irc s VAL 322 Ca 0.05 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 3irc s VAL 322 Cb -0.15 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.29 3irc s VAL 322 CO 0.03 0.55 -0.10 -1.58 0.00 0.00 0.00 175.10 173.99 3irc s GLN 323 N 0.27 3.13 0.13 2.72 0.74 -1.26 -0.54 119.66 124.84 3irc s GLN 323 Ca -0.14 -0.77 0.07 0.00 0.05 0.00 0.00 55.36 54.57 3irc s GLN 323 Cb -0.17 -2.85 -0.04 0.00 1.10 0.00 0.00 33.01 31.05 3irc s GLN 323 CO 0.07 -0.25 -0.08 0.14 -0.55 0.00 0.00 175.29 174.63 3irc s VAL 324 N 1.38 3.41 -0.16 1.34 -7.23 -0.40 -0.93 120.40 117.83 3irc s VAL 324 Ca 0.04 -1.35 0.01 0.00 -1.81 0.00 0.00 61.98 58.87 3irc s VAL 324 Cb -0.14 -2.63 0.01 0.00 0.56 0.00 0.00 36.38 34.17 3irc s VAL 324 CO -0.07 0.04 -0.18 -0.75 -0.31 0.00 0.00 175.10 173.83 3irc s LYS 325 N -2.44 3.11 0.12 4.82 2.47 -0.18 -1.05 119.74 126.60 3irc s LYS 325 Ca 0.23 -0.80 -0.22 0.00 -1.56 0.00 0.00 55.97 53.62 3irc s LYS 325 Cb -0.10 -2.56 -0.07 0.00 -1.46 0.00 0.00 37.83 33.63 3irc s LYS 325 CO 0.15 -0.04 0.67 -0.47 0.16 0.00 0.00 175.35 175.82 3irc s TYR 326 N 0.92 3.86 -0.22 4.03 5.04 -1.26 -1.09 117.35 128.63 3irc s TYR 326 Ca -0.04 1.46 0.02 0.00 -2.44 0.00 0.00 57.07 56.07 3irc s TYR 326 Cb -0.15 -2.63 0.05 0.00 0.35 0.00 0.00 41.96 39.57 3irc s TYR 326 CO -0.03 0.55 0.88 0.39 -1.34 0.00 0.00 175.55 176.00 3irc n GLU 327 N 1.65 1.64 -0.88 4.97 -0.58 0.83 -4.78 120.64 123.48 3irc n GLU 327 Ca -0.08 -1.25 -0.08 0.00 -0.42 0.00 0.00 57.16 55.33 3irc n GLU 327 Cb 0.50 -1.05 0.05 0.00 -0.57 0.00 0.00 31.44 30.36 3irc n GLU 327 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3irc n GLY 328 N -0.14 -0.24 0.40 0.62 0.00 -1.25 -4.73 105.19 99.85 3irc n GLY 328 Ca 0.02 -1.83 0.07 0.00 0.00 0.00 0.00 46.02 44.28 3irc n GLY 328 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3irc n THR 329 N -2.17 1.68 -1.05 2.61 -2.24 -1.26 -4.70 114.28 107.15 3irc n THR 329 Ca 0.05 -2.30 0.10 0.00 -2.27 0.00 0.00 64.05 59.63 3irc n THR 329 Cb 0.17 -0.08 0.17 0.00 -2.10 0.00 0.00 70.33 68.49 3irc n THR 329 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3irc n ASP 330 N -1.05 2.67 -4.76 3.42 5.68 -1.26 -5.02 116.55 116.22 3irc n ASP 330 Ca 0.15 -3.08 -0.38 0.00 -0.50 0.00 0.00 54.79 50.98 3irc n ASP 330 Cb 0.70 -0.45 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 3irc n ASP 330 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3irc s ALA 331 N -2.87 2.98 0.27 2.12 0.00 -1.26 -4.02 121.76 118.98 3irc s ALA 331 Ca 0.34 1.08 -0.29 0.00 0.00 0.00 0.00 51.96 53.09 3irc s ALA 331 Cb 0.29 -3.44 -0.09 0.00 0.00 0.00 0.00 23.12 19.88 3irc s ALA 331 CO 0.04 -0.85 0.99 -1.25 0.00 0.00 0.00 175.76 174.68 3irc s PRO 332 N -2.67 4.72 0.09 0.00 0.04 -1.26 -5.01 135.00 130.91 3irc s PRO 332 Ca 0.64 1.54 -0.20 0.00 0.04 0.00 0.00 61.00 63.02 3irc s PRO 332 Cb -0.33 -3.14 0.05 0.00 0.04 0.00 0.00 34.50 31.12 3irc s PRO 332 CO 0.40 0.37 0.49 0.00 0.04 0.00 0.00 177.00 178.30 3irc s LYS 334 N -3.05 4.30 -0.34 0.00 1.02 0.36 -0.78 119.74 121.25 3irc s LYS 334 Ca -0.02 0.70 -0.27 0.00 0.02 0.00 0.00 55.97 56.40 3irc s LYS 334 Cb -0.00 -3.34 0.01 0.00 -0.52 0.00 0.00 37.83 33.98 3irc s LYS 334 CO -0.07 0.36 0.97 0.42 -0.92 0.00 0.00 175.35 176.12 3irc s ILE 335 N -0.16 4.58 0.42 2.17 1.01 -0.61 0.03 121.20 128.63 3irc s ILE 335 Ca 0.30 1.42 -0.26 0.00 0.00 0.00 0.00 60.65 62.11 3irc s ILE 335 Cb -0.18 -4.35 -0.09 0.00 0.01 0.00 0.00 42.46 37.85 3irc s ILE 335 CO 0.17 -0.48 1.46 -2.84 0.00 0.00 0.00 174.94 173.25 3irc s PRO 336 N 3.49 3.85 -0.18 2.79 0.02 -1.26 -4.84 135.00 138.87 3irc s PRO 336 Ca 0.40 2.51 -0.08 0.00 0.02 0.00 0.00 61.00 63.85 3irc s PRO 336 Cb -0.12 -2.78 0.07 0.00 0.02 0.00 0.00 34.50 31.69 3irc s PRO 336 CO 0.17 -0.72 0.40 0.12 -0.33 0.00 0.00 177.00 176.64 3irc s PHE 337 N -1.16 -0.66 0.22 6.54 5.36 -1.26 -1.41 117.98 125.62 3irc s PHE 337 Ca 0.58 1.34 -0.09 0.00 -0.96 0.00 0.00 56.93 57.80 3irc s PHE 337 Cb -0.45 0.26 -0.02 0.00 -0.34 0.00 0.00 43.02 42.47 3irc s PHE 337 CO 0.60 -0.39 0.35 -1.54 -1.46 0.00 0.00 175.22 172.78 3irc s SER 338 N 1.89 -0.00 -0.00 6.13 1.04 -0.55 -5.02 113.70 117.19 3irc s SER 338 Ca -0.06 -1.07 0.05 0.00 0.48 0.00 0.00 55.95 55.35 3irc s SER 338 Cb -0.10 0.51 -0.01 0.00 0.10 0.00 0.00 66.02 66.51 3irc s SER 338 CO -0.12 -1.02 -0.17 0.42 0.98 0.00 0.00 173.24 173.33 3irc s THR 339 N -4.06 1.32 0.25 2.02 -4.23 -1.26 -0.84 115.64 108.84 3irc s THR 339 Ca 0.27 -0.78 -0.01 0.00 -1.18 0.00 0.00 61.69 60.00 3irc s THR 339 Cb 0.02 -1.11 -0.03 0.00 1.34 0.00 0.00 72.50 72.72 3irc s THR 339 CO 0.09 0.31 0.23 -1.10 -0.54 0.00 0.00 174.62 173.62 3irc s GLN 340 N -0.54 1.43 0.25 3.99 -0.21 -0.60 -3.57 119.66 120.41 3irc s GLN 340 Ca 0.06 -1.69 -0.10 0.00 0.02 0.00 0.00 55.36 53.65 3irc s GLN 340 Cb -0.07 0.32 -0.07 0.00 1.00 0.00 0.00 33.01 34.19 3irc s GLN 340 CO -0.00 -0.52 0.58 0.34 -2.12 0.00 0.00 175.29 173.57 3irc s ASP 341 N -3.20 6.62 0.60 5.90 2.15 -1.15 -2.29 116.67 125.30 3irc s ASP 341 Ca 0.37 0.95 0.23 0.00 0.43 0.00 0.00 52.55 54.53 3irc s ASP 341 Cb 0.04 -2.24 1.28 0.00 -0.30 0.00 0.00 42.92 41.70 3irc s ASP 341 CO 0.16 -0.11 1.70 1.05 -0.17 0.00 0.00 175.17 177.80 3irc h GLU 342 N 2.39 0.00 -0.15 4.34 4.11 -1.90 3.72 114.58 127.08 3irc h GLU 342 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 3irc h GLU 342 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3irc h GLU 342 CO 0.68 0.00 0.00 0.36 0.07 0.00 0.00 179.01 180.12 3irc n LYS 343 N -2.69 2.09 -0.14 1.06 2.85 -1.26 -5.06 118.16 115.01 3irc n LYS 343 Ca -0.02 -1.57 0.02 0.00 -1.05 0.00 0.00 58.31 55.70 3irc n LYS 343 Cb 0.44 -1.15 -0.01 0.00 -0.65 0.00 0.00 35.03 33.66 3irc n LYS 343 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3irc n GLY 344 N 0.17 -1.70 0.00 2.58 0.00 1.23 -5.13 105.19 102.34 3irc n GLY 344 Ca 0.06 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.60 3irc n GLY 344 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3irc n ALA 345 N -1.92 0.00 -3.24 4.61 0.00 -1.26 -3.77 120.51 114.93 3irc n ALA 345 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 3irc n ALA 345 Cb 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.49 3irc n ALA 345 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3irc n THR 346 N -1.33 4.19 -2.54 0.00 5.66 -1.26 -2.93 114.28 116.06 3irc n THR 346 Ca 0.00 -5.58 -0.36 0.00 -3.05 0.00 0.00 64.05 55.06 3irc n THR 346 Cb 0.00 -2.19 -0.04 0.00 -1.55 0.00 0.00 70.33 66.56 3irc n THR 346 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 3irc s GLN 347 N -2.34 4.10 0.00 1.09 -0.21 -1.23 -5.01 119.66 116.06 3irc s GLN 347 Ca 0.33 1.49 0.00 0.00 0.02 0.00 0.00 55.36 57.19 3irc s GLN 347 Cb 0.04 -2.46 0.00 0.00 1.00 0.00 0.00 33.01 31.58 3irc s GLN 347 CO 0.02 -0.19 0.00 0.27 -2.12 0.00 0.00 175.29 173.27 3irc n ASN 348 N -0.23 -0.19 0.00 5.90 0.23 -1.26 -4.45 115.26 115.26 3irc n ASN 348 Ca 0.06 -0.08 0.00 0.00 -0.53 0.00 0.00 54.58 54.03 3irc n ASN 348 Cb 0.50 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.20 3irc n ASN 348 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3irc n GLY 349 N 2.28 1.26 3.35 4.83 0.00 -1.26 -4.31 105.19 111.34 3irc n GLY 349 Ca 0.00 -2.24 -0.09 0.00 0.00 0.00 0.00 46.02 43.69 3irc n GLY 349 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3irc s ARG 350 N -1.21 0.44 -0.19 1.61 0.52 -0.86 -4.99 118.95 114.28 3irc s ARG 350 Ca 0.00 0.95 -0.24 0.00 -0.52 0.00 0.00 55.73 55.91 3irc s ARG 350 Cb 0.00 0.11 -0.01 0.00 0.52 0.00 0.00 34.95 35.57 3irc s ARG 350 CO 0.00 -0.18 0.79 -1.17 0.02 0.00 0.00 175.30 174.76 3irc s LEU 351 N 1.74 4.15 -0.08 2.53 2.96 -1.26 -0.23 118.68 128.50 3irc s LEU 351 Ca -0.08 1.08 -0.13 0.00 -0.22 0.00 0.00 54.13 54.77 3irc s LEU 351 Cb -0.09 -3.16 -0.29 0.00 0.50 0.00 0.00 46.19 43.16 3irc s LEU 351 CO -0.14 -0.40 0.61 0.40 -1.32 0.00 0.00 176.35 175.50 3irc h ILE 352 N 5.24 0.98 -2.18 6.68 1.08 -1.18 -3.46 117.51 124.68 3irc h ILE 352 Ca -0.28 -2.46 -0.58 0.00 -0.39 0.00 0.00 64.86 61.15 3irc h ILE 352 Cb 1.13 2.75 0.02 0.00 -3.07 0.00 0.00 36.82 37.65 3irc h ILE 352 CO 0.83 0.79 1.11 0.41 -0.69 0.00 0.00 178.15 180.60 3irc n THR 353 N -3.76 0.56 0.00 -0.27 -1.04 -1.01 -4.93 114.28 103.83 3irc n THR 353 Ca -0.25 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 61.66 3irc n THR 353 Cb 0.99 -1.98 0.00 0.00 -1.82 0.00 0.00 70.33 67.52 3irc n THR 353 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3irc n ALA 354 N 6.48 -0.01 -3.48 2.41 0.00 -1.26 -4.25 120.51 120.41 3irc n ALA 354 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.36 3irc n ALA 354 Cb 0.33 0.27 -0.12 0.00 0.00 0.00 0.00 19.45 19.93 3irc n ALA 354 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3irc s ASN 355 N -2.93 3.01 0.11 0.00 2.47 -1.26 -5.10 114.94 111.23 3irc s ASN 355 Ca 0.00 -2.20 -0.31 0.00 0.42 0.00 0.00 52.86 50.77 3irc s ASN 355 Cb 0.00 -0.43 -0.09 0.00 -1.45 0.00 0.00 41.25 39.28 3irc s ASN 355 CO 0.00 -0.31 1.70 -2.16 -3.72 0.00 0.00 177.10 172.61 3irc s PRO 356 N 1.05 4.18 -0.02 0.43 0.04 -1.26 -4.98 135.00 134.44 3irc s PRO 356 Ca 0.18 2.43 0.01 0.00 0.04 0.00 0.00 61.00 63.67 3irc s PRO 356 Cb -0.23 -3.51 0.01 0.00 0.04 0.00 0.00 34.50 30.81 3irc s PRO 356 CO 0.01 -0.75 -0.05 0.42 0.04 0.00 0.00 177.00 176.66 3irc s ILE 357 N 2.39 0.45 -0.41 0.56 1.01 -1.26 -1.57 121.20 122.37 3irc s ILE 357 Ca 0.76 -0.18 -0.26 0.00 0.00 0.00 0.00 60.65 60.96 3irc s ILE 357 Cb -0.43 -0.43 0.02 0.00 0.01 0.00 0.00 42.46 41.64 3irc s ILE 357 CO 0.33 0.16 0.96 -0.69 0.00 0.00 0.00 174.94 175.70 3irc s VAL 358 N 0.27 4.50 -0.04 2.92 1.01 0.04 -4.89 120.40 124.20 3irc s VAL 358 Ca -0.03 1.08 0.13 0.00 0.00 0.00 0.00 61.98 63.16 3irc s VAL 358 Cb -0.07 -4.40 -0.22 0.00 0.00 0.00 0.00 36.38 31.69 3irc s VAL 358 CO -0.00 -0.69 0.70 0.71 0.00 0.00 0.00 175.10 175.82 3irc h THR 359 N 5.95 0.84 -2.55 3.92 1.35 -1.89 -2.03 112.91 118.50 3irc h THR 359 Ca -0.23 -2.66 -0.11 0.00 -0.55 0.00 0.00 66.41 62.85 3irc h THR 359 Cb 1.07 2.40 -0.28 0.00 -1.73 0.00 0.00 68.15 69.61 3irc h THR 359 CO 1.02 0.48 -0.38 -0.62 -0.25 0.00 0.00 175.52 175.76 3irc s ASP 360 N -6.08 -0.21 0.56 5.36 -1.08 -1.26 -4.42 116.67 109.54 3irc s ASP 360 Ca -0.04 0.95 0.29 0.00 -0.52 0.00 0.00 52.55 53.23 3irc s ASP 360 Cb 0.08 1.27 1.67 0.00 -1.46 0.00 0.00 42.92 44.48 3irc s ASP 360 CO 0.82 -0.23 2.18 0.07 0.52 0.00 0.00 175.17 178.53 3irc h LYS 361 N 8.14 0.00 0.00 4.34 2.10 -1.90 0.15 116.57 129.40 3irc h LYS 361 Ca -0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.49 3irc h LYS 361 Cb 1.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 3irc h LYS 361 CO 0.13 0.05 0.00 0.93 -2.00 0.00 0.00 179.45 178.56 3irc h GLU 362 N 0.00 0.00 -5.04 0.07 4.39 -1.97 -3.38 114.58 108.66 3irc h GLU 362 Ca -0.00 0.00 -0.65 0.00 0.34 0.00 0.00 59.36 59.05 3irc h GLU 362 Cb 0.15 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 28.64 3irc h GLU 362 CO 0.01 0.00 -0.28 0.15 -1.16 0.00 0.00 179.01 177.73 3irc s LYS 363 N -3.64 3.77 0.72 2.33 1.02 0.04 -5.06 119.74 118.92 3irc s LYS 363 Ca 0.01 -0.22 -0.15 0.00 0.02 0.00 0.00 55.97 55.63 3irc s LYS 363 Cb 0.09 -3.73 0.03 0.00 -0.52 0.00 0.00 37.83 33.70 3irc s LYS 363 CO 0.54 -0.41 1.21 -2.14 -0.92 0.00 0.00 175.35 173.63 3irc s PRO 364 N 2.03 2.20 -0.07 -1.68 0.02 -1.26 -4.74 135.00 131.49 3irc s PRO 364 Ca 0.13 1.79 0.04 0.00 0.02 0.00 0.00 61.00 62.98 3irc s PRO 364 Cb -0.16 -1.84 -0.01 0.00 0.02 0.00 0.00 34.50 32.51 3irc s PRO 364 CO 0.11 -1.80 -0.21 0.08 -0.33 0.00 0.00 177.00 174.85 3irc s VAL 365 N -1.92 2.41 -0.02 3.83 1.01 -0.21 -4.94 120.40 120.55 3irc s VAL 365 Ca 0.75 -0.93 -0.17 0.00 0.00 0.00 0.00 61.98 61.63 3irc s VAL 365 Cb -0.30 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 3irc s VAL 365 CO 0.44 0.56 0.48 0.20 0.00 0.00 0.00 175.10 176.78 3irc s ASN 366 N -0.11 6.83 -0.03 3.32 0.01 -1.26 -1.27 114.94 122.43 3irc s ASN 366 Ca -0.04 0.99 0.02 0.00 -0.71 0.00 0.00 52.86 53.11 3irc s ASN 366 Cb -0.14 -2.29 0.01 0.00 0.41 0.00 0.00 41.25 39.24 3irc s ASN 366 CO 0.04 0.19 -0.06 -0.63 -1.51 0.00 0.00 177.10 175.13 3irc s ILE 367 N -0.45 0.57 -0.09 0.60 1.01 0.29 -4.99 121.20 118.14 3irc s ILE 367 Ca 0.26 -0.20 0.01 0.00 0.00 0.00 0.00 60.65 60.72 3irc s ILE 367 Cb -0.17 -0.55 -0.02 0.00 0.01 0.00 0.00 42.46 41.73 3irc s ILE 367 CO 0.14 0.21 -0.12 -0.70 0.00 0.00 0.00 174.94 174.46 3irc s GLU 368 N 0.52 2.93 0.03 2.79 2.12 -1.26 -0.65 118.70 125.18 3irc s GLU 368 Ca -0.07 -0.66 -0.04 0.00 0.36 0.00 0.00 54.97 54.56 3irc s GLU 368 Cb -0.11 -2.53 -0.01 0.00 0.26 0.00 0.00 34.13 31.74 3irc s GLU 368 CO 0.00 0.46 0.05 0.00 -0.54 0.00 0.00 175.26 175.23 3irc s ALA 369 N -0.28 0.01 -0.44 6.30 0.00 -0.71 -0.56 121.76 126.08 3irc s ALA 369 Ca 0.02 -0.57 -0.01 0.00 0.00 0.00 0.00 51.96 51.41 3irc s ALA 369 Cb -0.13 0.20 0.12 0.00 0.00 0.00 0.00 23.12 23.31 3irc s ALA 369 CO 0.03 -0.26 0.21 -2.00 0.00 0.00 0.00 175.76 173.74 3irc s GLU 370 N -2.24 1.98 0.75 0.00 2.12 0.69 -0.30 118.70 121.70 3irc s GLU 370 Ca -0.08 -2.02 -0.12 0.00 0.36 0.00 0.00 54.97 53.11 3irc s GLU 370 Cb -0.04 -3.50 0.04 0.00 0.26 0.00 0.00 34.13 30.89 3irc s GLU 370 CO -0.03 -1.06 1.10 -1.25 -0.54 0.00 0.00 175.26 173.47 3irc s PRO 371 N 0.76 2.37 0.90 4.30 0.04 -1.26 -2.03 135.00 140.08 3irc s PRO 371 Ca 0.11 1.23 -0.11 0.00 0.04 0.00 0.00 61.00 62.26 3irc s PRO 371 Cb -0.22 -1.91 0.13 0.00 0.04 0.00 0.00 34.50 32.55 3irc s PRO 371 CO -0.05 -1.56 1.09 -1.25 0.04 0.00 0.00 177.00 175.27 3irc s PRO 372 N -4.71 1.23 0.62 0.56 0.04 -1.26 -4.89 135.00 126.59 3irc s PRO 372 Ca 0.63 0.95 -0.17 0.00 0.04 0.00 0.00 61.00 62.45 3irc s PRO 372 Cb -0.18 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 3irc s PRO 372 CO 0.53 -2.29 1.12 -0.06 0.04 0.00 0.00 177.00 176.33 3irc s PHE 373 N -2.87 2.63 0.00 0.56 0.08 -1.26 -4.42 117.98 112.69 3irc s PHE 373 Ca 0.64 1.55 0.00 0.00 0.12 0.00 0.00 56.93 59.24 3irc s PHE 373 Cb -0.19 -3.22 0.00 0.00 -0.57 0.00 0.00 43.02 39.04 3irc s PHE 373 CO 0.57 -1.67 0.00 0.41 -0.10 0.00 0.00 175.22 174.43 3irc n GLY 374 N -0.26 -0.72 3.77 4.36 0.00 0.83 -4.84 105.19 108.33 3irc n GLY 374 Ca 0.11 -1.37 -0.37 0.00 0.00 0.00 0.00 46.02 44.39 3irc n GLY 374 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3irc s GLU 375 N 0.00 4.10 0.25 1.61 2.12 -1.26 -1.31 118.70 124.21 3irc s GLU 375 Ca 0.00 0.16 -0.05 0.00 0.36 0.00 0.00 54.97 55.44 3irc s GLU 375 Cb 0.00 -3.36 -0.02 0.00 0.26 0.00 0.00 34.13 31.01 3irc s GLU 375 CO 0.00 0.39 0.32 -1.54 -0.54 0.00 0.00 175.26 173.89 3irc s SER 376 N -0.01 0.28 -0.12 -1.70 1.04 -0.30 -3.60 113.70 109.30 3irc s SER 376 Ca 0.19 -1.26 -0.01 0.00 0.48 0.00 0.00 55.95 55.34 3irc s SER 376 Cb -0.14 0.51 -0.02 0.00 0.10 0.00 0.00 66.02 66.47 3irc s SER 376 CO 0.06 -1.04 -0.09 -0.31 0.98 0.00 0.00 173.24 172.84 3irc s TYR 377 N -3.88 2.89 -0.34 5.02 2.02 -0.97 -1.15 117.35 120.93 3irc s TYR 377 Ca 0.32 -0.42 -0.15 0.00 -0.37 0.00 0.00 57.07 56.45 3irc s TYR 377 Cb 0.03 -1.85 -0.01 0.00 -0.40 0.00 0.00 41.96 39.73 3irc s TYR 377 CO 0.13 -0.06 0.34 0.42 -1.57 0.00 0.00 175.55 174.81 3irc s ILE 378 N 0.13 5.19 -0.21 2.71 1.01 0.19 -1.56 121.20 128.66 3irc s ILE 378 Ca -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 60.65 60.58 3irc s ILE 378 Cb -0.14 -3.80 -0.00 0.00 0.01 0.00 0.00 42.46 38.53 3irc s ILE 378 CO 0.04 -0.07 -0.07 -0.69 0.00 0.00 0.00 174.94 174.14 3irc s VAL 379 N 1.96 3.09 -0.21 2.92 1.01 -0.02 -0.45 120.40 128.71 3irc s VAL 379 Ca 0.11 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 3irc s VAL 379 Cb -0.17 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 3irc s VAL 379 CO 0.11 0.44 -0.06 -0.69 0.00 0.00 0.00 175.10 174.90 3irc s VAL 380 N 1.44 3.30 0.00 2.92 1.01 0.21 -1.48 120.40 127.80 3irc s VAL 380 Ca 0.05 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.51 3irc s VAL 380 Cb -0.14 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.75 3irc s VAL 380 CO -0.05 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.10 3irc n GLY 381 N 4.66 1.31 3.51 4.51 0.00 -0.50 -0.81 105.19 117.87 3irc n GLY 381 Ca -0.18 -2.06 -0.27 0.00 0.00 0.00 0.00 46.02 43.51 3irc n GLY 381 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3irc s ALA 382 N -1.77 2.76 0.00 4.61 0.00 -1.26 -4.66 121.76 121.43 3irc s ALA 382 Ca 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.46 3irc s ALA 382 Cb 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.53 3irc s ALA 382 CO 0.00 0.48 0.00 0.41 0.00 0.00 0.00 175.76 176.65 3irc n GLY 383 N 0.28 -1.76 3.72 0.00 0.00 -1.26 -3.98 105.19 102.20 3irc n GLY 383 Ca -0.12 -1.30 -0.33 0.00 0.00 0.00 0.00 46.02 44.27 3irc n GLY 383 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3irc s GLU 384 N -0.04 1.97 0.00 1.61 0.41 -1.26 -1.97 118.70 119.42 3irc s GLU 384 Ca 0.00 1.55 0.00 0.00 -0.41 0.00 0.00 54.97 56.11 3irc s GLU 384 Cb 0.00 -1.83 0.00 0.00 -1.78 0.00 0.00 34.13 30.52 3irc s GLU 384 CO 0.00 -1.92 0.00 1.63 -0.49 0.00 0.00 175.26 174.48 3irc n LYS 385 N -3.20 -0.36 -2.04 1.61 5.02 -1.26 -4.99 118.16 112.93 3irc n LYS 385 Ca 0.12 0.09 -0.39 0.00 -2.02 0.00 0.00 58.31 56.10 3irc n LYS 385 Cb 0.51 -3.69 -0.00 0.00 -0.02 0.00 0.00 35.03 31.83 3irc n LYS 385 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3irc s ALA 386 N -2.13 3.25 -0.20 7.82 0.00 -0.83 -4.44 121.76 125.23 3irc s ALA 386 Ca 0.00 1.24 -0.29 0.00 0.00 0.00 0.00 51.96 52.91 3irc s ALA 386 Cb 0.00 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 3irc s ALA 386 CO 0.00 -0.84 1.27 -1.17 0.00 0.00 0.00 175.76 175.02 3irc s LEU 387 N -2.46 4.11 -0.22 0.00 2.96 0.01 -4.92 118.68 118.17 3irc s LEU 387 Ca 0.57 1.58 -0.03 0.00 -0.22 0.00 0.00 54.13 56.04 3irc s LEU 387 Cb -0.38 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 42.77 3irc s LEU 387 CO 0.49 -0.84 -0.07 -0.54 -1.32 0.00 0.00 176.35 174.07 3irc s LYS 388 N 3.66 3.22 -0.24 1.98 1.02 -1.26 -0.62 119.74 127.50 3irc s LYS 388 Ca 0.55 -0.72 -0.07 0.00 0.02 0.00 0.00 55.97 55.75 3irc s LYS 388 Cb -0.21 -2.94 -0.03 0.00 -0.52 0.00 0.00 37.83 34.14 3irc s LYS 388 CO 0.16 -0.24 0.05 -0.51 -0.92 0.00 0.00 175.35 173.90 3irc s LEU 389 N 1.42 3.39 0.26 3.17 1.43 0.41 -4.92 118.68 123.84 3irc s LEU 389 Ca 0.05 -0.21 -0.30 0.00 -1.03 0.00 0.00 54.13 52.64 3irc s LEU 389 Cb -0.14 -1.90 -0.09 0.00 0.03 0.00 0.00 46.19 44.09 3irc s LEU 389 CO -0.05 -0.01 1.07 -0.44 0.23 0.00 0.00 176.35 177.15 3irc s SER 390 N 1.46 7.33 -0.01 2.29 0.01 -1.26 -0.64 113.70 122.89 3irc s SER 390 Ca 0.06 2.19 -0.08 0.00 1.31 0.00 0.00 55.95 59.43 3irc s SER 390 Cb -0.15 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.47 3irc s SER 390 CO 0.03 -0.10 0.17 0.86 0.41 0.00 0.00 173.24 174.60 3irc s TRP 391 N -1.05 -0.01 -0.05 2.43 -0.11 -0.30 -4.92 118.94 114.93 3irc s TRP 391 Ca 0.44 -0.03 0.00 0.00 1.22 0.00 0.00 56.10 57.74 3irc s TRP 391 Cb -0.31 -0.02 0.02 0.00 -1.50 0.00 0.00 33.47 31.67 3irc s TRP 391 CO 0.39 -0.29 -0.04 0.12 -4.62 0.00 0.00 176.95 172.51 3irc s PHE 392 N -1.26 0.75 -0.20 5.86 5.36 -1.26 -1.14 117.98 126.08 3irc s PHE 392 Ca -0.13 -0.22 0.01 0.00 -0.96 0.00 0.00 56.93 55.63 3irc s PHE 392 Cb -0.07 -0.71 0.04 0.00 -0.34 0.00 0.00 43.02 41.94 3irc s PHE 392 CO 0.02 -0.23 -0.13 0.21 -1.46 0.00 0.00 175.22 173.63 3irc s LYS 393 N 1.17 2.30 0.49 10.12 2.20 -0.42 -4.94 119.74 130.67 3irc s LYS 393 Ca -0.07 -0.92 -0.20 0.00 -0.36 0.00 0.00 55.97 54.43 3irc s LYS 393 Cb -0.14 -2.52 -0.08 0.00 -1.51 0.00 0.00 37.83 33.58 3irc s LYS 393 CO -0.01 -0.39 1.02 0.15 -0.36 0.00 0.00 175.35 175.76 3irc s LYS 394 N 1.32 3.81 0.90 4.03 1.02 -1.26 -0.12 119.74 129.44 3irc s LYS 394 Ca -0.01 1.28 0.00 0.00 0.02 0.00 0.00 55.97 57.26 3irc s LYS 394 Cb -0.16 -2.10 0.00 0.00 -0.52 0.00 0.00 37.83 35.05 3irc s LYS 394 CO -0.09 -0.41 0.00 0.41 -0.92 0.00 0.00 175.35 174.34 3irc n GLY 395 N -0.48 0.68 3.67 -3.33 0.00 -1.26 -4.90 105.19 99.56 3irc n GLY 395 Ca 0.09 -1.51 -0.07 0.00 0.00 0.00 0.00 46.02 44.52 3irc n GLY 395 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3irc s SER 396 N -4.00 -0.33 0.53 1.61 0.15 -1.26 -4.79 113.70 105.61 3irc s SER 396 Ca 0.00 -0.30 -0.22 0.00 0.70 0.00 0.00 55.95 56.13 3irc s SER 396 Cb 0.00 0.57 -0.05 0.00 -1.71 0.00 0.00 66.02 64.83 3irc s SER 396 CO 0.00 -1.01 1.30 -0.94 1.20 0.00 0.00 173.24 173.79 3irc s SER 397 N -2.81 5.46 0.12 5.45 1.04 -1.26 -4.99 113.70 116.71 3irc s SER 397 Ca 0.08 2.63 -0.15 0.00 0.48 0.00 0.00 55.95 58.99 3irc s SER 397 Cb -0.03 -2.63 -0.07 0.00 0.10 0.00 0.00 66.02 63.40 3irc s SER 397 CO -0.02 -1.43 0.55 -0.63 0.98 0.00 0.00 173.24 172.69 3irc s ILE 398 N -1.38 4.84 0.00 -1.02 1.01 -1.26 -5.28 121.20 118.11 3irc s ILE 398 Ca 0.70 0.92 0.00 0.00 0.00 0.00 0.00 60.65 62.27 3irc s ILE 398 Cb -0.37 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 38.33 3irc s ILE 398 CO 0.44 0.33 0.00 0.61 0.00 0.00 0.00 174.94 176.32