#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bi6 h ARG 294 N 0.00 -0.21 -0.55 4.33 2.43 -1.98 -0.78 114.38 117.62 3bi6 h ARG 294 Ca 0.00 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.25 3bi6 h ARG 294 Cb 0.00 0.05 -0.10 0.00 -0.42 0.00 0.00 29.97 29.50 3bi6 h ARG 294 CO 0.00 -0.14 -0.51 -0.92 -1.51 0.00 0.00 179.97 176.89 3bi6 h TYR 295 N -0.22 -1.56 -0.61 2.20 3.20 -1.98 0.50 116.97 118.50 3bi6 h TYR 295 Ca 0.08 0.09 -0.05 0.00 3.14 0.00 0.00 58.73 61.99 3bi6 h TYR 295 Cb 0.34 0.75 -0.03 0.00 1.54 0.00 0.00 36.73 39.34 3bi6 h TYR 295 CO -0.26 -0.45 0.17 1.15 -1.64 0.00 0.00 178.16 177.14 3bi6 h THR 296 N -0.28 1.25 0.03 1.81 2.02 -1.78 -2.06 112.91 113.90 3bi6 h THR 296 Ca 0.13 -0.87 -0.23 0.00 0.77 0.00 0.00 66.41 66.21 3bi6 h THR 296 Cb 0.56 0.64 -0.00 0.00 -1.74 0.00 0.00 68.15 67.61 3bi6 h THR 296 CO -0.68 0.33 -0.99 0.00 0.37 0.00 0.00 175.52 174.55 3bi6 h THR 297 N 0.89 1.48 0.00 3.16 1.03 -0.50 -3.35 112.91 115.62 3bi6 h THR 297 Ca 0.20 -2.73 0.00 0.00 -0.01 0.00 0.00 66.41 63.87 3bi6 h THR 297 Cb 0.32 2.59 0.00 0.00 -1.07 0.00 0.00 68.15 69.99 3bi6 h THR 297 CO -0.00 0.80 -0.82 -0.62 -0.01 0.00 0.00 175.52 174.86 3bi6 n GLU 298 N -3.63 0.33 -4.22 0.00 -0.58 0.17 -4.87 120.64 107.84 3bi6 n GLU 298 Ca -0.05 0.06 -0.17 0.00 -0.42 0.00 0.00 57.16 56.58 3bi6 n GLU 298 Cb 0.88 -1.67 -0.14 0.00 -0.57 0.00 0.00 31.44 29.93 3bi6 n GLU 298 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 3bi6 s PHE 299 N -3.21 0.60 -0.45 -0.32 0.40 -0.78 -0.49 117.98 113.73 3bi6 s PHE 299 Ca 0.04 -0.14 -0.16 0.00 -0.60 0.00 0.00 56.93 56.07 3bi6 s PHE 299 Cb 0.13 -0.38 0.05 0.00 0.51 0.00 0.00 43.02 43.33 3bi6 s PHE 299 CO 0.76 -0.01 0.40 -1.58 0.70 0.00 0.00 175.22 175.48 3bi6 s HIS 300 N -0.26 3.21 -0.12 0.36 5.65 0.23 -4.57 115.29 119.79 3bi6 s HIS 300 Ca 0.02 -0.72 -0.29 0.00 0.25 0.00 0.00 55.06 54.31 3bi6 s HIS 300 Cb -0.03 -3.00 -0.06 0.00 -1.18 0.00 0.00 32.58 28.31 3bi6 s HIS 300 CO -0.00 -0.75 1.93 -2.00 -0.65 0.00 0.00 174.74 173.27 3bi6 s GLU 301 N 1.81 3.73 -0.16 2.88 2.12 -1.26 -0.70 118.70 127.12 3bi6 s GLU 301 Ca 0.06 2.14 0.01 0.00 0.36 0.00 0.00 54.97 57.54 3bi6 s GLU 301 Cb -0.21 -4.18 -0.23 0.00 0.26 0.00 0.00 34.13 29.77 3bi6 s GLU 301 CO 0.09 -1.40 0.20 1.28 -0.54 0.00 0.00 175.26 174.89 3bi6 n LEU 302 N 9.06 2.28 -3.64 2.70 4.77 0.15 -4.97 117.00 127.36 3bi6 n LEU 302 Ca 0.22 0.11 -0.08 0.00 -0.03 0.00 0.00 56.01 56.24 3bi6 n LEU 302 Cb 0.44 -0.75 -0.07 0.00 -2.33 0.00 0.00 43.42 40.71 3bi6 n LEU 302 CO 0.66 0.79 0.56 -0.70 -1.33 0.00 0.00 177.39 177.37 3bi6 s GLU 303 N -2.55 0.60 -0.04 3.23 2.12 -1.11 -5.01 118.70 115.94 3bi6 s GLU 303 Ca -0.23 0.86 -0.30 0.00 0.36 0.00 0.00 54.97 55.66 3bi6 s GLU 303 Cb 0.07 0.21 -0.03 0.00 0.26 0.00 0.00 34.13 34.65 3bi6 s GLU 303 CO 0.73 -0.10 1.09 0.21 -0.54 0.00 0.00 175.26 176.66 3bi6 s LYS 304 N 0.88 4.43 0.00 4.30 2.20 -1.26 -0.75 119.74 129.54 3bi6 s LYS 304 Ca -0.04 1.55 0.00 0.00 -0.36 0.00 0.00 55.97 57.12 3bi6 s LYS 304 Cb -0.05 -3.50 0.00 0.00 -1.51 0.00 0.00 37.83 32.78 3bi6 s LYS 304 CO -0.10 -0.29 0.14 0.44 -0.36 0.00 0.00 175.35 175.18 3bi6 n ILE 305 N 4.33 0.00 -3.52 5.43 -5.35 -0.13 -4.93 119.36 115.19 3bi6 n ILE 305 Ca 0.09 -0.50 -0.14 0.00 -0.27 0.00 0.00 62.75 61.93 3bi6 n ILE 305 Cb 0.48 1.00 -0.05 0.00 -1.74 0.00 0.00 39.64 39.33 3bi6 n ILE 305 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3bi6 s GLY 306 N -0.71 -0.48 -0.01 3.28 0.00 -1.09 -4.94 107.32 103.36 3bi6 s GLY 306 Ca 0.00 1.39 -0.03 0.00 0.00 0.00 0.00 44.72 46.08 3bi6 s GLY 306 CO 0.00 0.81 0.06 -0.56 0.00 0.00 0.00 173.10 173.41 3bi6 s SER 307 N -1.50 0.02 0.25 1.64 0.01 -1.26 -0.74 113.70 112.12 3bi6 s SER 307 Ca -0.05 -0.08 -0.21 0.00 1.31 0.00 0.00 55.95 56.92 3bi6 s SER 307 Cb -0.00 0.14 0.05 0.00 0.21 0.00 0.00 66.02 66.42 3bi6 s SER 307 CO 0.03 -0.15 0.86 -0.83 0.41 0.00 0.00 173.24 173.55 3bi6 s GLY 308 N -0.58 0.00 0.17 3.44 0.00 -0.18 -4.95 107.32 105.22 3bi6 s GLY 308 Ca -0.07 -0.29 -0.29 0.00 0.00 0.00 0.00 44.72 44.08 3bi6 s GLY 308 CO 0.00 0.28 1.54 0.83 0.00 0.00 0.00 173.10 175.75 3bi6 h GLU 309 N 2.00 -0.05 0.00 2.90 3.07 -2.04 -3.35 114.58 117.11 3bi6 h GLU 309 Ca -0.25 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.61 3bi6 h GLU 309 Cb 1.24 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 3bi6 h GLU 309 CO 0.30 -0.03 0.00 1.97 -1.40 0.00 0.00 179.01 179.85 3bi6 n PHE 310 N -5.30 0.00 -2.84 4.33 -0.00 -1.26 -5.00 117.46 107.40 3bi6 n PHE 310 Ca 0.02 0.00 -0.20 0.00 -0.00 0.00 0.00 57.45 57.27 3bi6 n PHE 310 Cb 0.29 0.00 0.09 0.00 -0.00 0.00 0.00 39.48 39.86 3bi6 n PHE 310 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3bi6 n GLY 311 N 0.00 1.36 3.47 4.97 0.00 -1.26 -4.31 105.19 109.43 3bi6 n GLY 311 Ca 0.00 -2.13 -0.28 0.00 0.00 0.00 0.00 46.02 43.61 3bi6 n GLY 311 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bi6 s SER 312 N -4.68 3.73 -0.10 1.61 0.01 -0.93 -1.01 113.70 112.34 3bi6 s SER 312 Ca 0.61 -0.72 0.02 0.00 1.31 0.00 0.00 55.95 57.17 3bi6 s SER 312 Cb -0.04 -0.43 -0.02 0.00 0.21 0.00 0.00 66.02 65.74 3bi6 s SER 312 CO 0.40 0.13 -0.15 -0.69 0.41 0.00 0.00 173.24 173.34 3bi6 s VAL 313 N -1.51 2.93 0.02 3.43 1.01 0.08 -0.99 120.40 125.36 3bi6 s VAL 313 Ca 0.21 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.52 3bi6 s VAL 313 Cb -0.09 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 3bi6 s VAL 313 CO 0.11 0.55 -0.20 -0.36 0.00 0.00 0.00 175.10 175.20 3bi6 s PHE 314 N -0.05 1.73 -0.21 5.22 0.40 -0.09 -0.95 117.98 124.03 3bi6 s PHE 314 Ca -0.03 -0.36 -0.27 0.00 -0.60 0.00 0.00 56.93 55.67 3bi6 s PHE 314 Cb -0.14 -1.06 -0.00 0.00 0.51 0.00 0.00 43.02 42.33 3bi6 s PHE 314 CO 0.04 0.05 0.94 0.21 0.70 0.00 0.00 175.22 177.16 3bi6 s LYS 315 N -0.93 4.26 0.02 0.44 2.20 0.07 -0.36 119.74 125.43 3bi6 s LYS 315 Ca 0.07 1.18 0.04 0.00 -0.36 0.00 0.00 55.97 56.90 3bi6 s LYS 315 Cb -0.08 -3.62 -0.02 0.00 -1.51 0.00 0.00 37.83 32.60 3bi6 s LYS 315 CO 0.01 -0.51 -0.13 0.00 -0.36 0.00 0.00 175.35 174.36 3bi6 s VAL 317 N -0.65 5.17 -0.13 0.00 1.01 0.12 -0.97 120.40 124.95 3bi6 s VAL 317 Ca 0.02 0.94 -0.29 0.00 0.00 0.00 0.00 61.98 62.65 3bi6 s VAL 317 Cb -0.07 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 3bi6 s VAL 317 CO 0.01 0.28 1.06 -0.75 0.00 0.00 0.00 175.10 175.70 3bi6 s LYS 318 N 0.95 4.36 0.32 2.72 2.20 -0.24 0.74 119.74 130.78 3bi6 s LYS 318 Ca 0.25 1.45 0.02 0.00 -0.36 0.00 0.00 55.97 57.33 3bi6 s LYS 318 Cb -0.15 -3.59 0.53 0.00 -1.51 0.00 0.00 37.83 33.11 3bi6 s LYS 318 CO 0.10 -0.44 1.85 0.00 -0.36 0.00 0.00 175.35 176.50 3bi6 h ARG 319 N 7.32 0.62 0.20 4.03 3.08 -1.12 -0.52 114.38 127.99 3bi6 h ARG 319 Ca -0.28 -0.13 -0.32 0.00 0.07 0.00 0.00 59.98 59.32 3bi6 h ARG 319 Cb 1.12 -0.09 0.02 0.00 0.08 0.00 0.00 29.97 31.11 3bi6 h ARG 319 CO 0.90 0.62 -1.42 1.25 -1.07 0.00 0.00 179.97 180.25 3bi6 h LEU 320 N 0.59 0.66 -0.57 3.04 5.85 -1.93 -3.34 115.31 119.62 3bi6 h LEU 320 Ca 0.13 -0.73 0.00 0.00 0.84 0.00 0.00 57.88 58.12 3bi6 h LEU 320 Cb 0.33 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.15 3bi6 h LEU 320 CO 0.01 1.58 -0.61 -0.90 -0.34 0.00 0.00 178.44 178.17 3bi6 n ASP 321 N -3.63 1.48 0.00 1.25 5.68 -1.14 -4.99 116.55 115.21 3bi6 n ASP 321 Ca -0.14 -1.24 0.00 0.00 -0.50 0.00 0.00 54.79 52.90 3bi6 n ASP 321 Cb 1.07 0.69 0.00 0.00 -1.14 0.00 0.00 41.12 41.74 3bi6 n ASP 321 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3bi6 n GLY 322 N 1.37 0.37 3.97 6.12 0.00 -0.22 -5.02 105.19 111.79 3bi6 n GLY 322 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 3bi6 n GLY 322 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bi6 s ILE 324 N -2.10 5.45 0.11 0.00 1.01 -1.26 -1.08 121.20 123.33 3bi6 s ILE 324 Ca 0.37 0.25 0.05 0.00 0.00 0.00 0.00 60.65 61.32 3bi6 s ILE 324 Cb -0.09 -3.44 -0.04 0.00 0.01 0.00 0.00 42.46 38.90 3bi6 s ILE 324 CO 0.31 0.56 -0.12 -0.31 0.00 0.00 0.00 174.94 175.38 3bi6 s TYR 325 N -0.59 1.19 -0.17 3.97 1.51 -0.14 -3.99 117.35 119.14 3bi6 s TYR 325 Ca 0.14 -0.62 -0.16 0.00 -1.01 0.00 0.00 57.07 55.42 3bi6 s TYR 325 Cb -0.12 -0.64 -0.04 0.00 -0.11 0.00 0.00 41.96 41.05 3bi6 s TYR 325 CO 0.03 0.06 0.38 0.00 -1.11 0.00 0.00 175.55 174.90 3bi6 s ALA 326 N -2.32 3.55 -0.14 3.71 0.00 -0.34 -0.85 121.76 125.36 3bi6 s ALA 326 Ca 0.07 -0.44 0.01 0.00 0.00 0.00 0.00 51.96 51.60 3bi6 s ALA 326 Cb -0.04 -2.55 0.02 0.00 0.00 0.00 0.00 23.12 20.54 3bi6 s ALA 326 CO 0.01 -0.11 -0.18 0.42 0.00 0.00 0.00 175.76 175.90 3bi6 s ILE 327 N 0.90 1.76 -0.17 0.00 1.01 0.52 -0.50 121.20 124.71 3bi6 s ILE 327 Ca 0.19 -0.78 -0.09 0.00 0.00 0.00 0.00 60.65 59.98 3bi6 s ILE 327 Cb -0.14 -1.59 -0.05 0.00 0.01 0.00 0.00 42.46 40.69 3bi6 s ILE 327 CO 0.07 0.49 0.12 -0.75 0.00 0.00 0.00 174.94 174.87 3bi6 s LYS 328 N 1.11 3.94 -0.26 2.79 2.20 -0.25 -0.91 119.74 128.35 3bi6 s LYS 328 Ca -0.02 -0.21 0.02 0.00 -0.36 0.00 0.00 55.97 55.40 3bi6 s LYS 328 Cb -0.14 -3.33 0.06 0.00 -1.51 0.00 0.00 37.83 32.92 3bi6 s LYS 328 CO -0.06 0.44 -0.08 0.50 -0.36 0.00 0.00 175.35 175.79 3bi6 s ARG 329 N -0.05 1.99 0.41 4.03 3.52 -0.16 -1.92 118.95 126.77 3bi6 s ARG 329 Ca 0.10 -1.29 0.07 0.00 -0.13 0.00 0.00 55.73 54.48 3bi6 s ARG 329 Cb -0.11 -2.82 -0.06 0.00 -1.56 0.00 0.00 34.95 30.40 3bi6 s ARG 329 CO -0.00 -0.61 0.11 -1.54 -0.81 0.00 0.00 175.30 172.45 3bi6 s SER 330 N 1.17 4.22 0.01 -2.12 1.04 -0.23 -2.20 113.70 115.60 3bi6 s SER 330 Ca -0.06 -1.17 -0.26 0.00 0.48 0.00 0.00 55.95 54.93 3bi6 s SER 330 Cb -0.20 -0.46 -0.04 0.00 0.10 0.00 0.00 66.02 65.42 3bi6 s SER 330 CO -0.06 -0.49 0.82 -1.59 0.98 0.00 0.00 173.24 172.90 3bi6 s LYS 331 N -3.83 4.52 0.02 4.02 0.00 -1.26 -1.32 119.74 121.90 3bi6 s LYS 331 Ca 0.39 1.14 -0.30 0.00 0.00 0.00 0.00 55.97 57.20 3bi6 s LYS 331 Cb 0.06 -3.41 -0.08 0.00 0.00 0.00 0.00 37.83 34.40 3bi6 s LYS 331 CO 0.21 0.14 1.87 0.21 0.00 0.00 0.00 175.35 177.78 3bi6 s LYS 332 N 0.42 4.15 0.87 1.78 2.20 0.27 -4.65 119.74 124.78 3bi6 s LYS 332 Ca 0.42 2.50 -0.11 0.00 -0.36 0.00 0.00 55.97 58.42 3bi6 s LYS 332 Cb -0.20 -4.05 0.12 0.00 -1.51 0.00 0.00 37.83 32.18 3bi6 s LYS 332 CO 0.24 -0.91 1.09 -1.25 -0.36 0.00 0.00 175.35 174.16 3bi6 s PRO 333 N 4.15 1.44 0.13 4.03 0.04 -1.26 -4.89 135.00 138.64 3bi6 s PRO 333 Ca 0.84 0.91 -0.31 0.00 0.04 0.00 0.00 61.00 62.47 3bi6 s PRO 333 Cb -0.41 -1.82 -0.10 0.00 0.04 0.00 0.00 34.50 32.21 3bi6 s PRO 333 CO 0.38 -2.14 1.71 -0.48 0.04 0.00 0.00 177.00 176.51 3bi6 s LEU 334 N -6.17 4.38 0.36 -3.56 -0.00 -1.26 -4.86 118.68 107.57 3bi6 s LEU 334 Ca 0.63 2.68 -0.25 0.00 -0.00 0.00 0.00 54.13 57.19 3bi6 s LEU 334 Cb -0.18 -3.58 -0.13 0.00 -0.00 0.00 0.00 46.19 42.30 3bi6 s LEU 334 CO 0.57 -0.93 0.78 0.00 -0.00 0.00 0.00 176.35 176.77 3bi6 n ALA 335 N 4.99 -0.90 0.00 1.48 0.00 -1.26 -1.23 120.51 123.59 3bi6 n ALA 335 Ca 0.16 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.87 3bi6 n ALA 335 Cb 0.38 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 17.94 3bi6 n ALA 335 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bi6 n GLY 336 N 1.51 1.85 3.79 0.00 0.00 -1.26 -4.98 105.19 106.09 3bi6 n GLY 336 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 3bi6 n GLY 336 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bi6 s SER 337 N -3.10 5.22 0.61 1.61 1.04 -0.36 -4.91 113.70 113.82 3bi6 s SER 337 Ca 0.00 1.83 0.33 0.00 0.48 0.00 0.00 55.95 58.59 3bi6 s SER 337 Cb 0.00 -2.53 1.95 0.00 0.10 0.00 0.00 66.02 65.55 3bi6 s SER 337 CO 0.00 -1.55 2.26 0.58 0.98 0.00 0.00 173.24 175.51 3bi6 h VAL 338 N -0.27 0.37 0.07 5.02 2.07 -1.94 -2.11 116.25 119.47 3bi6 h VAL 338 Ca -0.45 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 66.81 3bi6 h VAL 338 Cb 1.23 0.97 0.01 0.00 -1.52 0.00 0.00 31.29 31.98 3bi6 h VAL 338 CO 0.55 0.00 -1.10 0.44 0.02 0.00 0.00 177.57 177.48 3bi6 h ASP 339 N 0.00 0.60 -0.40 0.57 5.19 -1.91 -2.39 116.42 118.08 3bi6 h ASP 339 Ca 0.01 -0.54 -0.01 0.00 -0.62 0.00 0.00 57.03 55.87 3bi6 h ASP 339 Cb 0.09 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.39 3bi6 h ASP 339 CO -0.00 1.36 0.20 -0.08 -3.12 0.00 0.00 179.24 177.60 3bi6 h GLU 340 N 0.20 0.58 -0.73 3.56 4.81 -1.60 -1.36 114.58 120.03 3bi6 h GLU 340 Ca -0.12 -0.08 0.16 0.00 -0.13 0.00 0.00 59.36 59.18 3bi6 h GLU 340 Cb 1.77 -0.10 -0.11 0.00 0.63 0.00 0.00 28.75 30.94 3bi6 h GLU 340 CO 0.19 0.50 0.16 1.96 -0.73 0.00 0.00 179.01 181.10 3bi6 h GLN 341 N 0.51 0.25 -0.26 1.92 4.20 -1.40 0.15 115.11 120.48 3bi6 h GLN 341 Ca 0.14 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 3bi6 h GLN 341 Cb 0.11 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 3bi6 h GLN 341 CO -0.02 0.16 0.08 -0.97 -0.67 0.00 0.00 178.83 177.42 3bi6 h ASN 342 N 0.25 0.38 -0.84 1.46 -1.24 -1.28 -1.24 115.58 113.08 3bi6 h ASN 342 Ca 0.41 -0.20 0.03 0.00 0.71 0.00 0.00 56.30 57.25 3bi6 h ASN 342 Cb 0.70 -0.10 -0.05 0.00 0.73 0.00 0.00 38.32 39.60 3bi6 h ASN 342 CO -0.51 0.48 0.54 0.00 -1.29 0.00 0.00 177.43 176.65 3bi6 h ALA 343 N 0.92 1.09 0.00 1.57 0.00 -0.22 -2.71 119.26 119.91 3bi6 h ALA 343 Ca 0.08 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.74 3bi6 h ALA 343 Cb 0.23 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3bi6 h ALA 343 CO -0.00 0.40 -1.00 -0.07 0.00 0.00 0.00 179.25 178.57 3bi6 h LEU 344 N 1.07 0.01 -1.55 0.00 3.38 -0.63 -2.87 115.31 114.72 3bi6 h LEU 344 Ca 0.33 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.35 3bi6 h LEU 344 Cb -0.03 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3bi6 h LEU 344 CO -0.10 1.00 0.39 0.03 0.09 0.00 0.00 178.44 179.85 3bi6 h ARG 345 N 0.00 0.53 -0.73 1.13 3.08 -0.91 0.14 114.38 117.62 3bi6 h ARG 345 Ca -0.01 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 3bi6 h ARG 345 Cb 1.76 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 31.66 3bi6 h ARG 345 CO 0.13 0.35 0.21 1.49 -1.07 0.00 0.00 179.97 181.08 3bi6 h GLU 346 N 0.55 1.14 -0.19 0.04 4.81 -1.29 0.31 114.58 119.94 3bi6 h GLU 346 Ca 0.25 -0.26 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 3bi6 h GLU 346 Cb 0.31 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 3bi6 h GLU 346 CO -0.07 0.99 -0.14 0.28 -0.73 0.00 0.00 179.01 179.33 3bi6 h VAL 347 N 1.09 1.32 -0.52 0.32 2.07 -1.29 -0.77 116.25 118.47 3bi6 h VAL 347 Ca 0.23 -1.25 -0.07 0.00 0.82 0.00 0.00 66.70 66.43 3bi6 h VAL 347 Cb 0.33 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 3bi6 h VAL 347 CO -0.00 0.38 0.04 1.88 0.02 0.00 0.00 177.57 179.88 3bi6 h TYR 348 N 0.11 0.96 -0.36 1.57 0.99 -0.63 -0.62 116.97 119.00 3bi6 h TYR 348 Ca 0.04 -0.15 0.02 0.00 2.00 0.00 0.00 58.73 60.64 3bi6 h TYR 348 Cb 0.65 -0.26 -0.03 0.00 1.00 0.00 0.00 36.73 38.10 3bi6 h TYR 348 CO 0.07 0.88 0.19 0.00 -0.00 0.00 0.00 178.16 179.30 3bi6 h ALA 349 N 0.96 0.45 -0.95 3.88 0.00 -0.34 -2.73 119.26 120.53 3bi6 h ALA 349 Ca 0.15 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3bi6 h ALA 349 Cb 0.47 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 3bi6 h ALA 349 CO 0.02 -0.18 0.62 0.45 0.00 0.00 0.00 179.25 180.16 3bi6 h HIS 350 N 0.38 1.21 0.00 0.00 3.86 -0.85 -1.74 115.15 118.02 3bi6 h HIS 350 Ca 0.15 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 3bi6 h HIS 350 Cb 0.05 -0.41 0.00 0.00 1.06 0.00 0.00 27.41 28.11 3bi6 h HIS 350 CO -0.10 0.77 0.00 0.00 0.86 0.00 0.00 177.93 179.47 3bi6 n ALA 351 N -2.39 2.20 0.33 2.45 0.00 -0.27 -2.58 120.51 120.27 3bi6 n ALA 351 Ca 0.11 -0.11 0.06 0.00 0.00 0.00 0.00 53.44 53.50 3bi6 n ALA 351 Cb 0.03 -1.40 0.07 0.00 0.00 0.00 0.00 19.45 18.14 3bi6 n ALA 351 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3bi6 n VAL 352 N -1.36 0.20 -2.30 0.00 0.24 -0.71 -4.69 118.33 109.70 3bi6 n VAL 352 Ca 0.10 -0.60 -0.18 0.00 -2.04 0.00 0.00 64.34 61.61 3bi6 n VAL 352 Cb 0.23 1.08 0.02 0.00 -1.47 0.00 0.00 33.84 33.71 3bi6 n VAL 352 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3bi6 n LEU 353 N 0.60 3.96 -1.24 1.34 4.77 -0.84 -4.78 117.00 120.80 3bi6 n LEU 353 Ca 0.07 -4.37 0.10 0.00 -0.03 0.00 0.00 56.01 51.78 3bi6 n LEU 353 Cb 0.31 -0.13 0.29 0.00 -2.33 0.00 0.00 43.42 41.56 3bi6 n LEU 353 CO 0.07 1.86 0.75 0.61 -1.33 0.00 0.00 177.39 179.35 3bi6 n GLY 354 N -0.62 2.60 0.69 -0.72 0.00 -1.23 -4.51 105.19 101.41 3bi6 n GLY 354 Ca 0.33 -0.72 0.07 0.00 0.00 0.00 0.00 46.02 45.70 3bi6 n GLY 354 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3bi6 n GLN 355 N 1.36 1.96 -5.02 1.61 1.13 -1.26 -4.91 117.38 112.24 3bi6 n GLN 355 Ca 0.22 -1.80 -0.32 0.00 -1.94 0.00 0.00 57.00 53.16 3bi6 n GLN 355 Cb 0.62 -1.31 -0.15 0.00 0.11 0.00 0.00 30.24 29.51 3bi6 n GLN 355 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 3bi6 s HIS 356 N -1.08 2.62 -0.84 1.08 2.46 -1.26 -5.01 115.29 113.26 3bi6 s HIS 356 Ca 0.23 -0.53 0.16 0.00 0.47 0.00 0.00 55.06 55.39 3bi6 s HIS 356 Cb 0.14 -1.67 0.68 0.00 -0.13 0.00 0.00 32.58 31.60 3bi6 s HIS 356 CO 0.19 -0.09 1.50 -1.13 -2.47 0.00 0.00 174.74 172.74 3bi6 n SER 357 N 2.90 0.19 -0.72 9.88 3.41 -1.26 -2.79 113.62 125.23 3bi6 n SER 357 Ca -0.18 0.55 0.08 0.00 -0.26 0.00 0.00 58.87 59.07 3bi6 n SER 357 Cb 0.52 -0.59 0.23 0.00 -0.26 0.00 0.00 64.21 64.11 3bi6 n SER 357 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3bi6 n HIS 358 N -1.72 0.73 -4.34 7.33 8.25 -1.26 -4.81 115.22 119.41 3bi6 n HIS 358 Ca 0.03 -0.96 -0.21 0.00 -0.26 0.00 0.00 57.72 56.32 3bi6 n HIS 358 Cb 0.17 -0.29 -0.16 0.00 1.12 0.00 0.00 29.99 30.83 3bi6 n HIS 358 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3bi6 s VAL 359 N -2.87 0.77 0.02 1.59 1.01 -1.12 -0.96 120.40 118.84 3bi6 s VAL 359 Ca 0.40 -0.28 -0.36 0.00 0.00 0.00 0.00 61.98 61.74 3bi6 s VAL 359 Cb 0.33 -0.74 -0.15 0.00 0.00 0.00 0.00 36.38 35.83 3bi6 s VAL 359 CO 0.07 0.27 1.56 0.52 0.00 0.00 0.00 175.10 177.52 3bi6 n VAL 360 N 3.85 0.14 -2.25 2.92 0.31 0.07 -4.69 118.33 118.68 3bi6 n VAL 360 Ca -0.24 -0.03 -0.40 0.00 -0.01 0.00 0.00 64.34 63.67 3bi6 n VAL 360 Cb 0.52 -1.26 -0.02 0.00 -0.91 0.00 0.00 33.84 32.17 3bi6 n VAL 360 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3bi6 s ARG 361 N 1.69 4.26 -0.11 5.55 3.00 -1.26 -4.88 118.95 127.20 3bi6 s ARG 361 Ca 0.87 1.99 -0.08 0.00 0.00 0.00 0.00 55.73 58.50 3bi6 s ARG 361 Cb -0.86 -2.92 -0.04 0.00 0.00 0.00 0.00 34.95 31.14 3bi6 s ARG 361 CO 0.48 -0.19 0.17 -0.47 0.00 0.00 0.00 175.30 175.30 3bi6 s TYR 362 N -1.26 3.61 -0.17 -0.53 5.04 -1.26 -0.44 117.35 122.33 3bi6 s TYR 362 Ca 0.52 0.57 -0.07 0.00 -2.44 0.00 0.00 57.07 55.65 3bi6 s TYR 362 Cb -0.35 -1.99 -0.08 0.00 0.35 0.00 0.00 41.96 39.89 3bi6 s TYR 362 CO 0.45 0.71 -0.21 1.19 -1.34 0.00 0.00 175.55 176.35 3bi6 n PHE 363 N 2.03 0.00 -3.51 4.97 3.01 0.20 -4.92 117.46 119.24 3bi6 n PHE 363 Ca -0.19 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.18 3bi6 n PHE 363 Cb 0.55 -0.63 -0.02 0.00 -0.01 0.00 0.00 39.48 39.36 3bi6 n PHE 363 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3bi6 s SER 364 N -6.41 -0.39 0.00 4.37 0.15 -1.08 -5.02 113.70 105.32 3bi6 s SER 364 Ca -0.24 0.07 -0.06 0.00 0.70 0.00 0.00 55.95 56.42 3bi6 s SER 364 Cb 0.09 0.40 -0.00 0.00 -1.71 0.00 0.00 66.02 64.79 3bi6 s SER 364 CO 0.32 -0.62 0.11 0.00 1.20 0.00 0.00 173.24 174.25 3bi6 s ALA 365 N -2.87 -0.24 0.26 5.45 0.00 -1.26 -0.25 121.76 122.84 3bi6 s ALA 365 Ca 0.03 -0.17 -0.21 0.00 0.00 0.00 0.00 51.96 51.62 3bi6 s ALA 365 Cb -0.01 0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.22 3bi6 s ALA 365 CO -0.07 -0.18 0.68 1.67 0.00 0.00 0.00 175.76 177.85 3bi6 s TRP 366 N -1.24 -0.20 0.03 0.00 -2.14 -0.28 -5.00 118.94 110.10 3bi6 s TRP 366 Ca -0.13 -0.21 0.07 0.00 2.66 0.00 0.00 56.10 58.50 3bi6 s TRP 366 Cb -0.07 0.64 -0.02 0.00 -3.10 0.00 0.00 33.47 30.91 3bi6 s TRP 366 CO 0.01 -1.15 -0.22 0.00 -2.66 0.00 0.00 176.95 172.93 3bi6 s ALA 367 N -3.90 1.86 0.00 2.67 0.00 -1.26 -0.31 121.76 120.82 3bi6 s ALA 367 Ca 0.10 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.00 3bi6 s ALA 367 Cb -0.05 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.67 3bi6 s ALA 367 CO 0.04 0.43 0.00 -0.85 0.00 0.00 0.00 175.76 175.38 3bi6 n GLU 368 N 2.02 0.00 0.00 0.00 0.28 -0.09 -5.01 120.64 117.84 3bi6 n GLU 368 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.83 3bi6 n GLU 368 Cb 0.53 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.40 3bi6 n GLU 368 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3bi6 n ASP 369 N 0.00 0.00 -2.33 -1.84 9.92 -1.26 -1.95 116.55 119.09 3bi6 n ASP 369 Ca 0.00 0.00 -0.34 0.00 -0.53 0.00 0.00 54.79 53.92 3bi6 n ASP 369 Cb 0.00 0.00 0.08 0.00 -0.64 0.00 0.00 41.12 40.56 3bi6 n ASP 369 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 3bi6 n ASP 370 N 0.58 7.64 -4.26 -2.24 4.64 -1.26 -4.96 116.55 116.68 3bi6 n ASP 370 Ca 0.00 -3.75 -0.29 0.00 -1.38 0.00 0.00 54.79 49.37 3bi6 n ASP 370 Cb 0.00 -0.99 -0.16 0.00 -1.04 0.00 0.00 41.12 38.93 3bi6 n ASP 370 CO 0.00 0.00 0.00 -1.00 -0.82 0.00 0.00 177.20 175.38 3bi6 s HIS 371 N -3.72 2.07 -0.21 -0.67 3.76 -0.82 0.94 115.29 116.64 3bi6 s HIS 371 Ca 0.63 -0.39 -0.09 0.00 -0.15 0.00 0.00 55.06 55.05 3bi6 s HIS 371 Cb 0.49 -1.33 -0.05 0.00 1.11 0.00 0.00 32.58 32.80 3bi6 s HIS 371 CO -0.03 -0.04 0.11 1.41 -0.85 0.00 0.00 174.74 175.35 3bi6 s MET 372 N -0.54 4.05 0.03 1.40 0.00 -0.43 -0.91 119.30 122.90 3bi6 s MET 372 Ca 0.09 -0.29 0.08 0.00 0.00 0.00 0.00 55.69 55.57 3bi6 s MET 372 Cb -0.09 -3.37 -0.03 0.00 0.00 0.00 0.00 34.83 31.35 3bi6 s MET 372 CO -0.01 0.20 -0.25 -0.51 0.00 0.00 0.00 175.02 174.46 3bi6 s LEU 373 N 0.60 2.14 -0.07 4.11 1.02 0.58 -1.07 118.68 125.99 3bi6 s LEU 373 Ca 0.06 -0.54 0.02 0.00 0.02 0.00 0.00 54.13 53.69 3bi6 s LEU 373 Cb -0.12 -1.22 0.01 0.00 0.02 0.00 0.00 46.19 44.88 3bi6 s LEU 373 CO 0.01 0.25 -0.11 -0.51 0.02 0.00 0.00 176.35 176.00 3bi6 s ILE 374 N -0.75 1.08 -0.26 -0.59 2.07 -0.81 -1.12 121.20 120.82 3bi6 s ILE 374 Ca 0.10 -0.44 -0.04 0.00 -1.41 0.00 0.00 60.65 58.86 3bi6 s ILE 374 Cb -0.10 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.50 3bi6 s ILE 374 CO 0.01 0.34 -0.00 -1.58 -1.91 0.00 0.00 174.94 171.81 3bi6 s GLN 375 N 0.73 3.09 0.31 3.50 0.74 0.65 -1.09 119.66 127.59 3bi6 s GLN 375 Ca -0.14 -0.83 0.08 0.00 0.05 0.00 0.00 55.36 54.52 3bi6 s GLN 375 Cb -0.16 -3.15 -0.06 0.00 1.10 0.00 0.00 33.01 30.75 3bi6 s GLN 375 CO 0.03 -0.36 -0.07 -0.80 -0.55 0.00 0.00 175.29 173.55 3bi6 s ASN 376 N 1.44 3.11 0.16 6.67 0.01 0.34 -0.63 114.94 126.04 3bi6 s ASN 376 Ca 0.03 -1.20 -0.34 0.00 -0.71 0.00 0.00 52.86 50.63 3bi6 s ASN 376 Cb -0.16 -0.23 -0.15 0.00 0.41 0.00 0.00 41.25 41.12 3bi6 s ASN 376 CO -0.01 -0.31 1.43 1.21 -1.51 0.00 0.00 177.10 177.91 3bi6 n GLU 377 N -0.67 1.75 -2.70 -0.60 2.13 0.41 -1.20 120.64 119.75 3bi6 n GLU 377 Ca -0.05 0.63 -0.42 0.00 0.66 0.00 0.00 57.16 57.97 3bi6 n GLU 377 Cb 0.64 -2.31 -0.03 0.00 0.27 0.00 0.00 31.44 30.01 3bi6 n GLU 377 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 3bi6 s TYR 378 N 0.48 3.51 -0.33 4.31 5.04 -1.26 -4.31 117.35 124.79 3bi6 s TYR 378 Ca 0.78 1.57 -0.08 0.00 -2.44 0.00 0.00 57.07 56.90 3bi6 s TYR 378 Cb -0.77 -3.17 0.02 0.00 0.35 0.00 0.00 41.96 38.39 3bi6 s TYR 378 CO 0.44 -0.21 0.13 0.00 -1.34 0.00 0.00 175.55 174.57 3bi6 n ASN 380 N 4.90 0.00 -0.82 0.00 6.94 -1.23 -3.07 115.26 121.98 3bi6 n ASN 380 Ca -0.13 -0.51 0.11 0.00 -0.02 0.00 0.00 54.58 54.03 3bi6 n ASN 380 Cb 0.47 -0.15 0.29 0.00 -2.36 0.00 0.00 39.78 38.03 3bi6 n ASN 380 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3bi6 n GLY 381 N 1.00 0.93 7.00 4.83 0.00 0.51 -5.00 105.19 114.46 3bi6 n GLY 381 Ca 0.18 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.64 3bi6 n GLY 381 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bi6 n GLY 382 N 1.29 -0.27 3.92 -0.02 0.00 -1.17 -4.68 105.19 104.26 3bi6 n GLY 382 Ca 0.17 -1.07 -0.27 0.00 0.00 0.00 0.00 46.02 44.86 3bi6 n GLY 382 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bi6 s SER 383 N -4.00 6.33 0.31 1.61 1.04 -1.26 -1.36 113.70 116.37 3bi6 s SER 383 Ca 0.00 0.72 0.00 0.00 0.48 0.00 0.00 55.95 57.16 3bi6 s SER 383 Cb 0.00 -2.15 0.53 0.00 0.10 0.00 0.00 66.02 64.50 3bi6 s SER 383 CO 0.00 -0.38 1.94 0.25 0.98 0.00 0.00 173.24 176.03 3bi6 h LEU 384 N 0.80 0.88 -0.55 2.42 5.85 -0.43 -2.62 115.31 121.67 3bi6 h LEU 384 Ca -0.48 -0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.34 3bi6 h LEU 384 Cb 1.21 -0.20 -0.09 0.00 0.37 0.00 0.00 40.66 41.95 3bi6 h LEU 384 CO 0.63 0.60 0.03 0.00 -0.34 0.00 0.00 178.44 179.35 3bi6 h ALA 385 N 1.52 0.55 -0.50 1.25 0.00 -1.57 0.55 119.26 121.06 3bi6 h ALA 385 Ca 0.34 0.15 -0.13 0.00 0.00 0.00 0.00 54.91 55.28 3bi6 h ALA 385 Cb 0.07 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3bi6 h ALA 385 CO -0.11 -0.37 -0.18 -0.44 0.00 0.00 0.00 179.25 178.15 3bi6 h ASP 386 N 0.15 1.02 -0.96 0.00 3.45 -1.82 -1.41 116.42 116.86 3bi6 h ASP 386 Ca 0.28 -0.38 0.03 0.00 0.43 0.00 0.00 57.03 57.38 3bi6 h ASP 386 Cb 0.43 -0.28 -0.05 0.00 -0.56 0.00 0.00 39.33 38.87 3bi6 h ASP 386 CO -0.44 1.17 0.63 0.00 -1.57 0.00 0.00 179.24 179.04 3bi6 h ALA 387 N 0.88 1.36 0.00 3.45 0.00 -1.09 -1.46 119.26 122.39 3bi6 h ALA 387 Ca 0.12 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3bi6 h ALA 387 Cb 0.76 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3bi6 h ALA 387 CO 0.06 0.56 -0.00 0.82 0.00 0.00 0.00 179.25 180.69 3bi6 h ILE 388 N 1.24 1.02 -0.29 0.00 2.04 -0.74 -1.56 117.51 119.22 3bi6 h ILE 388 Ca 0.37 -0.05 0.06 0.00 1.00 0.00 0.00 64.86 66.24 3bi6 h ILE 388 Cb -0.05 1.05 -0.06 0.00 -0.74 0.00 0.00 36.82 37.02 3bi6 h ILE 388 CO -0.10 0.01 -0.13 0.28 0.00 0.00 0.00 178.15 178.21 3bi6 h SER 389 N -0.02 -0.44 -0.15 1.72 0.02 -1.16 -0.41 113.55 113.10 3bi6 h SER 389 Ca -0.00 0.11 0.05 0.00 -0.84 0.00 0.00 61.79 61.11 3bi6 h SER 389 Cb 0.02 0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.76 3bi6 h SER 389 CO 0.00 -0.17 -0.18 -0.33 -1.14 0.00 0.00 176.83 175.01 3bi6 h GLU 390 N -0.09 -0.21 -0.88 3.45 3.07 -1.26 -2.72 114.58 115.94 3bi6 h GLU 390 Ca 0.15 0.01 0.11 0.00 -0.50 0.00 0.00 59.36 59.13 3bi6 h GLU 390 Cb 0.31 0.05 -0.07 0.00 -0.84 0.00 0.00 28.75 28.21 3bi6 h GLU 390 CO -0.34 -0.14 0.57 -0.91 -1.40 0.00 0.00 179.01 176.78 3bi6 h ASN 391 N -0.22 0.75 -0.83 1.42 2.35 -1.04 -2.02 115.58 115.99 3bi6 h ASN 391 Ca 0.11 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.84 3bi6 h ASN 391 Cb 0.37 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.58 3bi6 h ASN 391 CO -0.28 0.43 0.37 0.22 -1.65 0.00 0.00 177.43 176.51 3bi6 h TYR 392 N 0.82 1.23 -0.08 1.19 3.20 -0.84 -0.71 116.97 121.78 3bi6 h TYR 392 Ca 0.42 -0.08 -0.18 0.00 3.14 0.00 0.00 58.73 62.03 3bi6 h TYR 392 Cb 0.49 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 3bi6 h TYR 392 CO -0.00 0.91 -0.71 -0.09 -1.64 0.00 0.00 178.16 176.62 3bi6 h ARG 393 N 1.20 0.39 -0.02 1.82 2.43 -1.07 -3.20 114.38 115.92 3bi6 h ARG 393 Ca 0.28 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3bi6 h ARG 393 Cb 0.17 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3bi6 h ARG 393 CO -0.03 0.95 -0.20 0.44 -1.51 0.00 0.00 179.97 179.61 3bi6 n ILE 394 N -3.84 0.00 -3.60 1.20 -5.35 -1.04 -4.95 119.36 101.78 3bi6 n ILE 394 Ca -0.04 -0.27 -0.27 0.00 -0.27 0.00 0.00 62.75 61.91 3bi6 n ILE 394 Cb 0.69 0.87 0.03 0.00 -1.74 0.00 0.00 39.64 39.50 3bi6 n ILE 394 CO 0.00 0.00 0.00 0.23 -1.76 0.00 0.00 176.55 175.02 3bi6 n MET 395 N 0.11 -5.43 -3.82 6.28 2.81 -0.32 -4.99 117.12 111.78 3bi6 n MET 395 Ca 0.13 0.67 -0.28 0.00 -1.81 0.00 0.00 57.70 56.42 3bi6 n MET 395 Cb 0.43 -5.55 -0.16 0.00 -0.71 0.00 0.00 33.22 27.22 3bi6 n MET 395 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3bi6 s SER 396 N -3.08 2.83 0.45 7.83 0.15 -0.92 -5.06 113.70 115.91 3bi6 s SER 396 Ca 0.54 -0.72 0.06 0.00 0.70 0.00 0.00 55.95 56.53 3bi6 s SER 396 Cb -0.26 -0.75 0.06 0.00 -1.71 0.00 0.00 66.02 63.35 3bi6 s SER 396 CO 0.67 -0.24 0.50 -1.22 1.20 0.00 0.00 173.24 174.15 3bi6 n TYR 397 N 4.96 -1.70 -2.04 3.44 4.02 -1.26 -4.49 117.16 120.08 3bi6 n TYR 397 Ca -0.10 -1.77 -0.42 0.00 -0.01 0.00 0.00 57.90 55.60 3bi6 n TYR 397 Cb 0.47 -0.40 -0.03 0.00 -0.02 0.00 0.00 39.34 39.36 3bi6 n TYR 397 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 3bi6 s PHE 398 N -2.01 2.98 0.69 -0.72 0.40 -1.08 -5.02 117.98 113.22 3bi6 s PHE 398 Ca 0.38 0.69 -0.11 0.00 -0.60 0.00 0.00 56.93 57.30 3bi6 s PHE 398 Cb -0.03 -3.83 0.02 0.00 0.51 0.00 0.00 43.02 39.69 3bi6 s PHE 398 CO 0.24 -3.07 1.07 0.15 0.70 0.00 0.00 175.22 174.32 3bi6 s LYS 399 N 1.54 2.82 0.23 0.44 1.02 -1.26 -4.64 119.74 119.89 3bi6 s LYS 399 Ca 0.68 0.37 -0.07 0.00 0.02 0.00 0.00 55.97 56.98 3bi6 s LYS 399 Cb -0.39 -2.06 0.33 0.00 -0.52 0.00 0.00 37.83 35.19 3bi6 s LYS 399 CO 0.31 -1.01 1.80 1.49 -0.92 0.00 0.00 175.35 177.01 3bi6 h GLU 400 N -0.60 0.67 -0.54 1.68 4.81 -1.95 0.81 114.58 119.45 3bi6 h GLU 400 Ca -0.45 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 3bi6 h GLU 400 Cb 1.26 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.46 3bi6 h GLU 400 CO 0.63 0.44 0.31 0.00 -0.73 0.00 0.00 179.01 179.67 3bi6 h ALA 401 N 1.42 1.53 -0.06 2.92 0.00 -1.99 -0.74 119.26 122.34 3bi6 h ALA 401 Ca 0.35 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 55.01 3bi6 h ALA 401 Cb 0.32 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3bi6 h ALA 401 CO -0.24 0.40 -0.72 0.93 0.00 0.00 0.00 179.25 179.62 3bi6 h GLU 402 N 0.75 0.31 -0.52 0.00 5.08 -1.29 -2.23 114.58 116.68 3bi6 h GLU 402 Ca 0.19 -0.26 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 3bi6 h GLU 402 Cb -0.00 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3bi6 h GLU 402 CO -0.03 0.91 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.69 3bi6 h LEU 403 N 0.21 1.00 -0.52 1.33 3.38 -0.60 -0.96 115.31 119.16 3bi6 h LEU 403 Ca -0.03 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.52 3bi6 h LEU 403 Cb 1.29 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 3bi6 h LEU 403 CO 0.12 1.13 0.06 0.11 0.09 0.00 0.00 178.44 179.95 3bi6 h LYS 404 N 0.86 0.88 -0.11 1.13 1.57 -1.11 -0.33 116.57 119.47 3bi6 h LYS 404 Ca 0.13 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3bi6 h LYS 404 Cb 0.69 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 3bi6 h LYS 404 CO 0.05 0.88 0.05 0.22 -0.57 0.00 0.00 179.45 180.08 3bi6 h ASP 405 N 0.75 0.14 -0.18 0.86 3.58 -1.33 0.14 116.42 120.37 3bi6 h ASP 405 Ca 0.15 -0.11 0.05 0.00 0.42 0.00 0.00 57.03 57.55 3bi6 h ASP 405 Cb 0.44 -0.04 -0.06 0.00 1.72 0.00 0.00 39.33 41.40 3bi6 h ASP 405 CO 0.02 0.21 -0.20 0.25 -2.88 0.00 0.00 179.24 176.64 3bi6 h LEU 406 N 0.06 -0.62 -0.21 2.28 5.85 -1.13 0.01 115.31 121.55 3bi6 h LEU 406 Ca 0.04 0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.91 3bi6 h LEU 406 Cb 0.10 0.30 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 3bi6 h LEU 406 CO -0.01 -0.24 -0.06 0.25 -0.34 0.00 0.00 178.44 178.05 3bi6 h LEU 407 N -0.22 -0.20 -0.07 2.25 5.85 -0.82 -2.08 115.31 120.01 3bi6 h LEU 407 Ca 0.12 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 3bi6 h LEU 407 Cb 0.40 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 3bi6 h LEU 407 CO -0.31 -0.07 0.03 0.25 -0.34 0.00 0.00 178.44 177.99 3bi6 h LEU 408 N -0.01 0.10 -0.10 2.25 5.85 -0.49 0.18 115.31 123.09 3bi6 h LEU 408 Ca 0.10 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 3bi6 h LEU 408 Cb 0.16 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 3bi6 h LEU 408 CO -0.22 0.23 0.05 1.56 -0.34 0.00 0.00 178.44 179.72 3bi6 h GLN 409 N -0.04 0.15 -0.64 1.25 4.20 -0.91 0.16 115.11 119.28 3bi6 h GLN 409 Ca 0.02 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 3bi6 h GLN 409 Cb 0.16 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 3bi6 h GLN 409 CO -0.00 0.21 0.15 0.28 -0.67 0.00 0.00 178.83 178.80 3bi6 h VAL 410 N 0.05 1.26 -0.72 -0.54 2.07 -1.42 -2.12 116.25 114.82 3bi6 h VAL 410 Ca 0.04 -0.95 0.13 0.00 0.82 0.00 0.00 66.70 66.74 3bi6 h VAL 410 Cb 0.11 0.64 -0.13 0.00 -1.52 0.00 0.00 31.29 30.39 3bi6 h VAL 410 CO -0.00 0.36 -0.28 1.23 0.02 0.00 0.00 177.57 178.89 3bi6 h GLY 411 N 0.95 0.20 0.89 2.17 0.00 -0.45 0.13 103.07 106.96 3bi6 h GLY 411 Ca 0.20 0.37 0.02 0.00 0.00 0.00 0.00 47.33 47.92 3bi6 h GLY 411 CO 0.00 -0.24 0.21 3.21 0.00 0.00 0.00 176.54 179.72 3bi6 h ARG 412 N -0.07 0.41 -0.71 4.80 3.08 -0.21 -1.16 114.38 120.52 3bi6 h ARG 412 Ca 0.31 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.41 3bi6 h ARG 412 Cb 0.56 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.46 3bi6 h ARG 412 CO -0.77 0.27 0.38 0.78 -1.07 0.00 0.00 179.97 179.56 3bi6 h GLY 413 N 0.42 1.06 1.63 0.04 0.00 -0.98 -2.39 103.07 102.85 3bi6 h GLY 413 Ca 0.15 -0.25 -0.08 0.00 0.00 0.00 0.00 47.33 47.14 3bi6 h GLY 413 CO -0.08 0.12 -0.19 1.41 0.00 0.00 0.00 176.54 177.80 3bi6 h LEU 414 N 0.67 0.43 -0.23 3.11 3.38 -0.49 -1.24 115.31 120.96 3bi6 h LEU 414 Ca 0.33 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 3bi6 h LEU 414 Cb 0.27 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3bi6 h LEU 414 CO -0.22 0.64 0.04 -0.09 0.09 0.00 0.00 178.44 178.90 3bi6 h ARG 415 N 0.40 0.38 0.17 1.13 2.43 -0.94 0.21 114.38 118.16 3bi6 h ARG 415 Ca 0.07 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3bi6 h ARG 415 Cb 0.57 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 3bi6 h ARG 415 CO 0.04 0.51 -0.41 -0.92 -1.51 0.00 0.00 179.97 177.68 3bi6 h TYR 416 N 0.18 -1.17 -0.71 2.20 3.20 -1.43 -0.57 116.97 118.67 3bi6 h TYR 416 Ca 0.07 0.03 0.13 0.00 3.14 0.00 0.00 58.73 62.10 3bi6 h TYR 416 Cb 0.32 0.49 -0.13 0.00 1.54 0.00 0.00 36.73 38.95 3bi6 h TYR 416 CO 0.02 -0.48 -0.26 0.82 -1.64 0.00 0.00 178.16 176.62 3bi6 h ILE 417 N -0.64 0.20 0.00 1.81 2.04 -1.22 -2.20 117.51 117.50 3bi6 h ILE 417 Ca -0.02 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.80 3bi6 h ILE 417 Cb 0.62 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 3bi6 h ILE 417 CO -0.18 0.00 -0.19 0.45 0.00 0.00 0.00 178.15 178.23 3bi6 h HIS 418 N -0.06 0.00 0.00 1.37 3.86 -0.44 -2.12 115.15 117.75 3bi6 h HIS 418 Ca 0.31 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.48 3bi6 h HIS 418 Cb 0.56 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.02 3bi6 h HIS 418 CO -0.64 0.19 -0.18 0.66 0.86 0.00 0.00 177.93 178.82 3bi6 h SER 419 N 0.00 0.00 0.00 2.45 4.64 -0.50 -2.55 113.55 117.59 3bi6 h SER 419 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3bi6 h SER 419 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3bi6 h SER 419 CO 0.03 0.18 0.00 0.23 -0.87 0.00 0.00 176.83 176.40 3bi6 n MET 420 N -3.18 0.90 -2.38 4.77 2.81 -0.81 -4.89 117.12 114.35 3bi6 n MET 420 Ca 0.02 0.00 -0.20 0.00 -1.81 0.00 0.00 57.70 55.71 3bi6 n MET 420 Cb 0.55 -1.14 -0.01 0.00 -0.71 0.00 0.00 33.22 31.91 3bi6 n MET 420 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 3bi6 n SER 421 N -0.33 -5.68 -4.52 7.83 7.64 -0.96 -4.98 113.62 112.61 3bi6 n SER 421 Ca 0.00 0.02 -0.25 0.00 1.01 0.00 0.00 58.87 59.66 3bi6 n SER 421 Cb 0.07 -4.75 -0.10 0.00 -1.01 0.00 0.00 64.21 58.42 3bi6 n SER 421 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3bi6 s LEU 422 N -5.95 2.73 0.02 -3.43 1.43 -1.16 -0.06 118.68 112.26 3bi6 s LEU 422 Ca 0.00 -1.04 0.03 0.00 -1.03 0.00 0.00 54.13 52.08 3bi6 s LEU 422 Cb 0.00 -1.15 -0.02 0.00 0.03 0.00 0.00 46.19 45.05 3bi6 s LEU 422 CO 0.00 -0.07 -0.09 0.68 0.23 0.00 0.00 176.35 177.11 3bi6 s VAL 423 N -2.53 0.64 -0.09 -1.59 -7.23 0.43 -3.86 120.40 106.17 3bi6 s VAL 423 Ca 0.31 -0.75 -0.26 0.00 -1.81 0.00 0.00 61.98 59.48 3bi6 s VAL 423 Cb -0.02 -0.62 -0.27 0.00 0.56 0.00 0.00 36.38 36.02 3bi6 s VAL 423 CO 0.16 -0.10 0.85 -0.74 -0.31 0.00 0.00 175.10 174.97 3bi6 h HIS 424 N 5.16 0.23 0.00 2.82 2.76 -1.88 -2.02 115.15 122.22 3bi6 h HIS 424 Ca -0.33 -0.16 0.00 0.00 -2.20 0.00 0.00 60.37 57.68 3bi6 h HIS 424 Cb 1.19 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.14 3bi6 h HIS 424 CO 0.53 1.10 0.00 -1.33 -1.30 0.00 0.00 177.93 176.93 3bi6 n MET 425 N -4.43 -0.22 -2.71 5.26 2.81 -1.26 -3.23 117.12 113.33 3bi6 n MET 425 Ca -0.11 0.06 -0.05 0.00 -1.81 0.00 0.00 57.70 55.78 3bi6 n MET 425 Cb 0.60 -3.51 0.08 0.00 -0.71 0.00 0.00 33.22 29.68 3bi6 n MET 425 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3bi6 n ASP 426 N -0.11 -0.12 -4.68 7.83 2.03 -1.26 -2.39 116.55 117.85 3bi6 n ASP 426 Ca 0.00 -2.42 -0.42 0.00 0.52 0.00 0.00 54.79 52.47 3bi6 n ASP 426 Cb 0.06 0.19 -0.03 0.00 -0.72 0.00 0.00 41.12 40.62 3bi6 n ASP 426 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3bi6 s ILE 427 N -1.61 3.77 -0.00 5.18 -1.09 -1.26 -4.82 121.20 121.36 3bi6 s ILE 427 Ca 0.22 1.09 -0.29 0.00 -2.23 0.00 0.00 60.65 59.45 3bi6 s ILE 427 Cb 0.41 -3.70 0.10 0.00 -1.58 0.00 0.00 42.46 37.69 3bi6 s ILE 427 CO -0.05 -0.03 0.88 -1.59 -1.23 0.00 0.00 174.94 172.92 3bi6 s LYS 428 N 2.85 0.83 0.53 2.79 -2.85 -1.26 -4.75 119.74 117.89 3bi6 s LYS 428 Ca 0.64 -0.29 0.20 0.00 -1.00 0.00 0.00 55.97 55.52 3bi6 s LYS 428 Cb -0.30 0.38 1.38 0.00 -2.06 0.00 0.00 37.83 37.23 3bi6 s LYS 428 CO 0.25 -0.36 2.14 -1.35 0.10 0.00 0.00 175.35 176.13 3bi6 h PRO 429 N 2.02 0.00 0.00 1.78 0.11 -1.93 -1.45 132.00 132.53 3bi6 h PRO 429 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3bi6 h PRO 429 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3bi6 h PRO 429 CO 0.31 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.97 3bi6 n SER 430 N -4.39 0.00 -0.78 -2.05 3.41 -1.26 -1.68 113.62 106.88 3bi6 n SER 430 Ca -0.01 0.28 0.07 0.00 -0.26 0.00 0.00 58.87 58.96 3bi6 n SER 430 Cb 0.18 -0.41 0.16 0.00 -0.26 0.00 0.00 64.21 63.88 3bi6 n SER 430 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3bi6 n ASN 431 N -1.41 2.92 -4.47 4.04 3.02 -0.55 -4.87 115.26 113.94 3bi6 n ASN 431 Ca 0.07 -1.88 -0.34 0.00 -0.03 0.00 0.00 54.58 52.40 3bi6 n ASN 431 Cb 0.21 -0.21 -0.12 0.00 -0.61 0.00 0.00 39.78 39.04 3bi6 n ASN 431 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3bi6 s ILE 432 N -1.08 3.87 0.05 2.41 1.01 -1.08 -0.65 121.20 125.73 3bi6 s ILE 432 Ca 0.27 -0.35 0.05 0.00 0.00 0.00 0.00 60.65 60.61 3bi6 s ILE 432 Cb 0.15 -2.72 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 3bi6 s ILE 432 CO 0.20 0.47 -0.06 -0.36 0.00 0.00 0.00 174.94 175.19 3bi6 s PHE 433 N 0.61 2.86 -0.06 3.97 0.08 0.06 -0.30 117.98 125.21 3bi6 s PHE 433 Ca -0.02 -0.07 0.04 0.00 0.12 0.00 0.00 56.93 56.99 3bi6 s PHE 433 Cb -0.14 -1.54 -0.02 0.00 -0.57 0.00 0.00 43.02 40.74 3bi6 s PHE 433 CO 0.02 0.41 -0.16 0.42 -0.10 0.00 0.00 175.22 175.81 3bi6 s ILE 434 N -1.12 2.86 0.00 0.64 1.01 -0.46 -0.18 121.20 123.95 3bi6 s ILE 434 Ca 0.20 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 60.07 3bi6 s ILE 434 Cb -0.11 -2.12 0.00 0.00 0.01 0.00 0.00 42.46 40.24 3bi6 s ILE 434 CO 0.11 0.58 0.00 -0.24 0.00 0.00 0.00 174.94 175.39 3bi6 n SER 435 N 2.60 0.00 0.00 3.58 2.88 -0.64 -0.36 113.62 121.68 3bi6 n SER 435 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 3bi6 n SER 435 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 3bi6 n SER 435 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 3bi6 n LYS 456 N -0.92 0.00 -2.21 -1.46 4.81 -1.26 -0.87 118.16 116.26 3bi6 n LYS 456 Ca 0.00 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.03 3bi6 n LYS 456 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 3bi6 n LYS 456 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 3bi6 s VAL 457 N 0.00 3.04 -0.09 3.15 -7.23 -1.26 -5.03 120.40 112.98 3bi6 s VAL 457 Ca 0.00 0.95 0.00 0.00 -1.81 0.00 0.00 61.98 61.12 3bi6 s VAL 457 Cb 0.00 -3.61 -0.03 0.00 0.56 0.00 0.00 36.38 33.31 3bi6 s VAL 457 CO 0.00 0.19 -0.09 -0.04 -0.31 0.00 0.00 175.10 174.85 3bi6 s MET 458 N -0.93 3.01 -0.09 4.82 1.00 -0.05 -5.10 119.30 121.96 3bi6 s MET 458 Ca 0.52 -0.59 -0.01 0.00 0.00 0.00 0.00 55.69 55.61 3bi6 s MET 458 Cb -0.37 -2.63 -0.03 0.00 0.00 0.00 0.00 34.83 31.80 3bi6 s MET 458 CO 0.44 0.50 -0.03 -0.06 0.00 0.00 0.00 175.02 175.87 3bi6 s PHE 459 N -0.36 3.07 -0.04 -0.03 0.40 -1.26 -1.62 117.98 118.14 3bi6 s PHE 459 Ca 0.05 0.05 0.01 0.00 -0.60 0.00 0.00 56.93 56.44 3bi6 s PHE 459 Cb -0.12 -1.80 0.02 0.00 0.51 0.00 0.00 43.02 41.63 3bi6 s PHE 459 CO 0.02 0.33 -0.03 0.15 0.70 0.00 0.00 175.22 176.39 3bi6 s LYS 460 N -0.62 0.70 0.20 0.44 1.02 0.75 -4.56 119.74 117.66 3bi6 s LYS 460 Ca 0.10 -0.06 -0.30 0.00 0.02 0.00 0.00 55.97 55.73 3bi6 s LYS 460 Cb -0.12 -0.76 -0.09 0.00 -0.52 0.00 0.00 37.83 36.35 3bi6 s LYS 460 CO 0.02 -0.10 1.36 0.42 -0.92 0.00 0.00 175.35 176.13 3bi6 s ILE 461 N 0.96 3.07 0.00 2.17 1.01 -0.13 -0.76 121.20 127.53 3bi6 s ILE 461 Ca -0.10 0.87 0.00 0.00 0.00 0.00 0.00 60.65 61.41 3bi6 s ILE 461 Cb -0.14 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.78 3bi6 s ILE 461 CO -0.00 0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.67 3bi6 n GLY 462 N 2.54 4.91 3.32 6.18 0.00 0.18 -0.75 105.19 121.56 3bi6 n GLY 462 Ca 0.07 -1.71 -0.19 0.00 0.00 0.00 0.00 46.02 44.20 3bi6 n GLY 462 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3bi6 n ASP 463 N -1.34 -6.46 -1.26 1.61 -0.08 -1.26 -4.82 116.55 102.94 3bi6 n ASP 463 Ca 0.00 -0.18 -0.03 0.00 -1.51 0.00 0.00 54.79 53.07 3bi6 n ASP 463 Cb 0.00 -3.42 0.12 0.00 2.34 0.00 0.00 41.12 40.16 3bi6 n ASP 463 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3bi6 n LEU 464 N -1.23 3.64 0.10 -2.67 4.77 -1.26 -4.47 117.00 115.89 3bi6 n LEU 464 Ca -0.08 -1.88 0.08 0.00 -0.03 0.00 0.00 56.01 54.11 3bi6 n LEU 464 Cb 0.59 -0.60 0.40 0.00 -2.33 0.00 0.00 43.42 41.48 3bi6 n LEU 464 CO 0.55 0.55 0.75 0.61 -1.33 0.00 0.00 177.39 178.52 3bi6 n GLY 465 N 0.06 -0.88 0.42 -0.72 0.00 -1.26 -2.47 105.19 100.34 3bi6 n GLY 465 Ca 0.17 0.10 0.04 0.00 0.00 0.00 0.00 46.02 46.33 3bi6 n GLY 465 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3bi6 n HIS 466 N -2.00 0.32 -1.97 1.61 8.25 -1.26 -4.88 115.22 115.29 3bi6 n HIS 466 Ca 0.00 -0.53 -0.41 0.00 -0.26 0.00 0.00 57.72 56.52 3bi6 n HIS 466 Cb 0.08 -0.05 -0.02 0.00 1.12 0.00 0.00 29.99 31.12 3bi6 n HIS 466 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3bi6 s VAL 467 N -1.12 2.52 0.06 1.59 1.01 -1.03 -4.52 120.40 118.91 3bi6 s VAL 467 Ca 0.16 0.46 -0.03 0.00 0.00 0.00 0.00 61.98 62.57 3bi6 s VAL 467 Cb 0.09 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 3bi6 s VAL 467 CO 0.10 0.08 0.02 0.28 0.00 0.00 0.00 175.10 175.58 3bi6 s THR 468 N -0.26 0.19 0.52 3.92 -1.32 -0.76 -4.86 115.64 113.07 3bi6 s THR 468 Ca 0.58 -1.60 -0.23 0.00 -1.21 0.00 0.00 61.69 59.23 3bi6 s THR 468 Cb -0.43 -1.39 -0.06 0.00 -1.51 0.00 0.00 72.50 69.11 3bi6 s THR 468 CO 0.47 -0.88 1.35 -0.13 -2.21 0.00 0.00 174.62 173.22 3bi6 s ARG 469 N -3.72 3.32 0.60 7.08 1.81 -1.26 -0.43 118.95 126.35 3bi6 s ARG 469 Ca 0.05 2.23 0.31 0.00 -1.72 0.00 0.00 55.73 56.60 3bi6 s ARG 469 Cb 0.06 -2.36 1.88 0.00 -0.45 0.00 0.00 34.95 34.08 3bi6 s ARG 469 CO -0.09 -1.04 2.25 0.97 -0.68 0.00 0.00 175.30 176.70 3bi6 h ILE 470 N 1.67 0.45 -0.21 1.52 2.10 -0.74 -2.32 117.51 119.98 3bi6 h ILE 470 Ca -0.51 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.43 3bi6 h ILE 470 Cb 1.29 0.98 0.00 0.00 -1.09 0.00 0.00 36.82 38.00 3bi6 h ILE 470 CO 0.58 0.00 0.00 -1.20 -1.08 0.00 0.00 178.15 176.45 3bi6 n SER 471 N -3.75 3.56 -4.72 2.19 7.64 -1.26 -4.61 113.62 112.67 3bi6 n SER 471 Ca -0.02 -3.00 -0.42 0.00 1.01 0.00 0.00 58.87 56.44 3bi6 n SER 471 Cb 0.11 -0.51 -0.01 0.00 -1.01 0.00 0.00 64.21 62.79 3bi6 n SER 471 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3bi6 n SER 472 N -0.66 3.16 0.19 6.43 7.64 -0.88 -4.92 113.62 124.59 3bi6 n SER 472 Ca 0.20 1.21 0.12 0.00 1.01 0.00 0.00 58.87 61.41 3bi6 n SER 472 Cb 0.83 -1.53 0.14 0.00 -1.01 0.00 0.00 64.21 62.63 3bi6 n SER 472 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3bi6 h PRO 473 N 2.91 0.00 -5.36 1.43 0.13 -1.95 -3.45 132.00 125.71 3bi6 h PRO 473 Ca -0.48 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.13 3bi6 h PRO 473 Cb 1.27 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.10 3bi6 h PRO 473 CO 0.65 0.00 -0.82 -0.65 -0.23 0.00 0.00 178.00 176.94 3bi6 s GLN 474 N -3.24 1.41 -0.04 0.86 1.11 -1.26 -5.03 119.66 113.46 3bi6 s GLN 474 Ca 0.05 -0.56 0.02 0.00 0.01 0.00 0.00 55.36 54.88 3bi6 s GLN 474 Cb 0.06 -1.31 0.02 0.00 -1.01 0.00 0.00 33.01 30.77 3bi6 s GLN 474 CO 0.70 0.29 -0.07 0.08 0.01 0.00 0.00 175.29 176.29 3bi6 s VAL 475 N -0.20 0.74 -0.32 1.09 1.01 -1.26 -5.05 120.40 116.41 3bi6 s VAL 475 Ca 0.02 -0.27 -0.28 0.00 0.00 0.00 0.00 61.98 61.45 3bi6 s VAL 475 Cb -0.08 -0.71 0.02 0.00 0.00 0.00 0.00 36.38 35.61 3bi6 s VAL 475 CO 0.00 0.26 1.05 -0.70 0.00 0.00 0.00 175.10 175.71 3bi6 s GLU 476 N 0.66 4.04 0.34 2.72 2.56 -1.26 -5.05 118.70 122.71 3bi6 s GLU 476 Ca -0.11 1.00 -0.28 0.00 0.00 0.00 0.00 54.97 55.58 3bi6 s GLU 476 Cb -0.13 -3.74 -0.10 0.00 2.00 0.00 0.00 34.13 32.16 3bi6 s GLU 476 CO 0.01 -0.90 1.26 -1.21 -0.56 0.00 0.00 175.26 173.87 3bi6 s GLU 477 N 3.60 4.31 0.00 4.30 2.02 -1.26 -4.95 118.70 126.72 3bi6 s GLU 477 Ca 0.44 2.11 0.00 0.00 0.02 0.00 0.00 54.97 57.54 3bi6 s GLU 477 Cb -0.12 -3.00 0.00 0.00 0.10 0.00 0.00 34.13 31.11 3bi6 s GLU 477 CO 0.16 -0.19 0.00 0.41 0.02 0.00 0.00 175.26 175.66 3bi6 n GLY 478 N 0.82 -0.51 3.60 -1.39 0.00 -1.01 -4.96 105.19 101.74 3bi6 n GLY 478 Ca 0.01 -1.75 -0.51 0.00 0.00 0.00 0.00 46.02 43.77 3bi6 n GLY 478 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3bi6 n ASP 479 N -2.53 1.84 0.29 1.61 -0.08 -1.26 -4.80 116.55 111.61 3bi6 n ASP 479 Ca 0.00 1.11 0.17 0.00 -1.51 0.00 0.00 54.79 54.57 3bi6 n ASP 479 Cb 0.00 -1.22 0.87 0.00 2.34 0.00 0.00 41.12 43.11 3bi6 n ASP 479 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3bi6 h SER 480 N 4.78 0.00 0.11 1.67 4.64 -1.93 -2.18 113.55 120.65 3bi6 h SER 480 Ca -0.47 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3bi6 h SER 480 Cb 1.32 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3bi6 h SER 480 CO 0.79 0.05 -0.00 0.03 -0.87 0.00 0.00 176.83 176.83 3bi6 h ARG 481 N 0.00 0.00 0.00 4.77 3.08 -1.85 -3.06 114.38 117.31 3bi6 h ARG 481 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3bi6 h ARG 481 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3bi6 h ARG 481 CO 0.01 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.10 3bi6 n PHE 482 N -3.18 0.00 -2.80 3.04 3.01 -0.85 -4.88 117.46 111.81 3bi6 n PHE 482 Ca -0.03 -0.20 -0.42 0.00 1.01 0.00 0.00 57.45 57.81 3bi6 n PHE 482 Cb 0.10 -0.02 -0.03 0.00 -0.01 0.00 0.00 39.48 39.52 3bi6 n PHE 482 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 3bi6 s LEU 483 N -0.41 4.22 0.43 4.37 2.96 -1.05 -4.04 118.68 125.16 3bi6 s LEU 483 Ca 0.00 1.35 -0.23 0.00 -0.22 0.00 0.00 54.13 55.03 3bi6 s LEU 483 Cb 0.00 -3.38 -0.08 0.00 0.50 0.00 0.00 46.19 43.22 3bi6 s LEU 483 CO 0.00 -0.40 1.10 0.00 -1.32 0.00 0.00 176.35 175.73 3bi6 s ALA 484 N 1.99 3.02 0.29 5.97 0.00 -1.26 -4.96 121.76 126.81 3bi6 s ALA 484 Ca 0.43 0.80 -0.03 0.00 0.00 0.00 0.00 51.96 53.17 3bi6 s ALA 484 Cb -0.17 -3.32 0.41 0.00 0.00 0.00 0.00 23.12 20.04 3bi6 s ALA 484 CO 0.15 -0.42 1.95 -0.97 0.00 0.00 0.00 175.76 176.47 3bi6 h ASN 485 N 2.24 0.97 -0.59 0.00 -0.00 -1.95 -2.63 115.58 113.61 3bi6 h ASN 485 Ca -0.49 -0.04 0.03 0.00 -0.00 0.00 0.00 56.30 55.80 3bi6 h ASN 485 Cb 1.23 -0.24 -0.03 0.00 -0.00 0.00 0.00 38.32 39.28 3bi6 h ASN 485 CO 0.61 0.72 0.39 1.05 -0.00 0.00 0.00 177.43 180.20 3bi6 h GLU 486 N 1.13 0.70 -0.26 6.67 9.09 -1.91 0.17 114.58 130.16 3bi6 h GLU 486 Ca 0.30 -0.04 -0.19 0.00 0.05 0.00 0.00 59.36 59.48 3bi6 h GLU 486 Cb -0.10 -0.16 0.00 0.00 -1.65 0.00 0.00 28.75 26.85 3bi6 h GLU 486 CO -0.06 0.46 -0.60 0.28 0.05 0.00 0.00 179.01 179.14 3bi6 h VAL 487 N 0.72 1.28 -0.45 -1.06 2.07 -1.63 -0.19 116.25 116.98 3bi6 h VAL 487 Ca 0.23 -1.79 -0.02 0.00 0.82 0.00 0.00 66.70 65.95 3bi6 h VAL 487 Cb 0.04 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 3bi6 h VAL 487 CO -0.06 0.58 0.21 0.25 0.02 0.00 0.00 177.57 178.56 3bi6 h LEU 488 N 0.64 0.56 0.00 2.57 5.85 -0.85 -1.46 115.31 122.63 3bi6 h LEU 488 Ca -0.00 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3bi6 h LEU 488 Cb 1.21 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.10 3bi6 h LEU 488 CO 0.13 0.49 0.00 0.00 -0.34 0.00 0.00 178.44 178.72 3bi6 n GLN 489 N -4.39 0.67 -2.61 1.25 1.13 0.43 -4.91 117.38 108.95 3bi6 n GLN 489 Ca 0.03 0.01 -0.12 0.00 -1.94 0.00 0.00 57.00 54.99 3bi6 n GLN 489 Cb 0.13 -1.50 0.02 0.00 0.11 0.00 0.00 30.24 28.99 3bi6 n GLN 489 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3bi6 n GLU 490 N -1.12 -2.44 -3.67 -1.09 1.02 -0.55 -5.01 120.64 107.77 3bi6 n GLU 490 Ca 0.18 0.51 -0.39 0.00 -0.02 0.00 0.00 57.16 57.44 3bi6 n GLU 490 Cb 0.14 -4.54 -0.11 0.00 -0.02 0.00 0.00 31.44 26.91 3bi6 n GLU 490 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3bi6 s ASN 491 N -2.79 5.51 -0.29 1.62 2.47 -0.13 -4.97 114.94 116.35 3bi6 s ASN 491 Ca 0.14 -1.23 0.09 0.00 0.42 0.00 0.00 52.86 52.29 3bi6 s ASN 491 Cb -0.06 -1.94 0.52 0.00 -1.45 0.00 0.00 41.25 38.32 3bi6 s ASN 491 CO 0.18 -0.40 1.48 -1.22 -3.72 0.00 0.00 177.10 173.42 3bi6 n TYR 492 N 4.88 1.17 0.21 0.43 0.53 -1.26 -4.14 117.16 118.98 3bi6 n TYR 492 Ca -0.11 -1.55 0.08 0.00 -1.02 0.00 0.00 57.90 55.30 3bi6 n TYR 492 Cb 0.44 -0.50 0.40 0.00 -1.03 0.00 0.00 39.34 38.65 3bi6 n TYR 492 CO 0.00 0.00 0.00 1.15 -1.02 0.00 0.00 176.86 176.99 3bi6 h THR 493 N 1.07 0.67 -1.14 -0.72 2.02 -1.93 -3.35 112.91 109.53 3bi6 h THR 493 Ca 0.22 -1.29 -0.40 0.00 0.77 0.00 0.00 66.41 65.72 3bi6 h THR 493 Cb 1.70 1.84 -0.40 0.00 -1.74 0.00 0.00 68.15 69.55 3bi6 h THR 493 CO 0.41 0.28 -1.14 1.41 0.37 0.00 0.00 175.52 176.85 3bi6 n HIS 494 N -3.43 1.38 -0.16 3.16 8.25 -1.26 -4.97 115.22 118.18 3bi6 n HIS 494 Ca 0.00 -2.91 0.02 0.00 -0.26 0.00 0.00 57.72 54.57 3bi6 n HIS 494 Cb 0.47 -0.35 0.30 0.00 1.12 0.00 0.00 29.99 31.53 3bi6 n HIS 494 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3bi6 h LEU 495 N 2.95 0.74 -1.13 2.41 3.38 -1.82 -1.64 115.31 120.20 3bi6 h LEU 495 Ca -0.04 -0.02 0.25 0.00 0.09 0.00 0.00 57.88 58.16 3bi6 h LEU 495 Cb 1.13 -0.18 -0.11 0.00 0.09 0.00 0.00 40.66 41.58 3bi6 h LEU 495 CO 0.54 0.53 0.62 -0.65 0.09 0.00 0.00 178.44 179.58 3bi6 h PRO 496 N 0.88 0.52 0.00 1.13 0.11 -1.92 -1.28 132.00 131.43 3bi6 h PRO 496 Ca 0.25 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.32 3bi6 h PRO 496 Cb -0.07 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 30.92 3bi6 h PRO 496 CO -0.06 0.34 -0.05 0.87 -0.21 0.00 0.00 178.00 178.89 3bi6 h LYS 497 N 0.53 0.00 -0.56 1.05 1.79 -1.64 -2.01 116.57 115.73 3bi6 h LYS 497 Ca 0.62 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 59.05 3bi6 h LYS 497 Cb 1.30 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.92 3bi6 h LYS 497 CO -0.41 0.05 0.19 0.00 -1.08 0.00 0.00 179.45 178.20 3bi6 h ALA 498 N 1.95 1.28 -0.32 3.86 0.00 -1.31 -1.67 119.26 123.04 3bi6 h ALA 498 Ca -0.00 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.58 3bi6 h ALA 498 Cb 0.59 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3bi6 h ALA 498 CO 0.01 0.52 -0.42 -0.44 0.00 0.00 0.00 179.25 178.92 3bi6 h ASP 499 N 0.81 0.86 -0.33 0.00 3.32 -1.40 -2.12 116.42 117.56 3bi6 h ASP 499 Ca 0.19 -0.40 0.01 0.00 0.02 0.00 0.00 57.03 56.84 3bi6 h ASP 499 Cb 0.21 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 3bi6 h ASP 499 CO -0.01 1.16 0.21 0.40 -1.72 0.00 0.00 179.24 179.28 3bi6 h ILE 500 N 0.65 1.07 -0.13 0.35 1.08 -1.47 -0.02 117.51 119.05 3bi6 h ILE 500 Ca 0.05 -0.15 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 3bi6 h ILE 500 Cb 0.98 0.60 -0.01 0.00 -3.07 0.00 0.00 36.82 35.32 3bi6 h ILE 500 CO 0.09 0.08 0.09 0.15 -0.69 0.00 0.00 178.15 177.87 3bi6 h PHE 501 N 0.43 0.16 -0.50 1.37 3.57 -1.24 -2.12 116.94 118.62 3bi6 h PHE 501 Ca 0.13 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 3bi6 h PHE 501 Cb -0.04 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 3bi6 h PHE 501 CO -0.06 0.10 0.20 0.00 -2.23 0.00 0.00 178.31 176.32 3bi6 h ALA 502 N 1.05 1.42 -0.30 2.41 0.00 -1.26 -2.74 119.26 119.84 3bi6 h ALA 502 Ca 0.05 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3bi6 h ALA 502 Cb -0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3bi6 h ALA 502 CO -0.01 0.45 0.03 1.25 0.00 0.00 0.00 179.25 180.97 3bi6 h LEU 503 N 0.71 0.49 -0.50 0.00 5.85 -0.64 -0.72 115.31 120.50 3bi6 h LEU 503 Ca 0.17 -0.27 0.09 0.00 0.84 0.00 0.00 57.88 58.71 3bi6 h LEU 503 Cb 0.14 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 40.97 3bi6 h LEU 503 CO -0.02 0.64 0.07 0.00 -0.34 0.00 0.00 178.44 178.79 3bi6 h ALA 504 N 0.87 0.54 -0.27 1.25 0.00 -1.16 -0.66 119.26 119.82 3bi6 h ALA 504 Ca 0.09 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 3bi6 h ALA 504 Cb 0.37 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3bi6 h ALA 504 CO 0.01 -0.34 -0.25 -0.07 0.00 0.00 0.00 179.25 178.60 3bi6 h LEU 505 N 0.20 0.53 -0.67 0.00 3.38 -1.35 -0.27 115.31 117.12 3bi6 h LEU 505 Ca 0.25 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 58.09 3bi6 h LEU 505 Cb 0.36 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 3bi6 h LEU 505 CO -0.36 0.78 0.39 0.74 0.09 0.00 0.00 178.44 180.08 3bi6 h THR 506 N 0.46 1.01 -0.13 0.22 2.02 -0.61 -1.94 112.91 113.94 3bi6 h THR 506 Ca 0.07 -0.25 -0.11 0.00 0.77 0.00 0.00 66.41 66.88 3bi6 h THR 506 Cb 0.69 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 3bi6 h THR 506 CO 0.05 0.13 -0.42 0.58 0.37 0.00 0.00 175.52 176.24 3bi6 h VAL 507 N 0.73 1.31 -0.30 3.16 2.07 -0.52 -2.31 116.25 120.40 3bi6 h VAL 507 Ca 0.29 -1.56 -0.02 0.00 0.82 0.00 0.00 66.70 66.23 3bi6 h VAL 507 Cb 0.13 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 3bi6 h VAL 507 CO -0.16 0.47 0.09 0.58 0.02 0.00 0.00 177.57 178.58 3bi6 h VAL 508 N 0.26 1.20 -0.21 2.57 2.07 -0.80 0.30 116.25 121.64 3bi6 h VAL 508 Ca 0.02 -0.65 0.05 0.00 0.82 0.00 0.00 66.70 66.94 3bi6 h VAL 508 Cb 0.85 1.06 -0.06 0.00 -1.52 0.00 0.00 31.29 31.63 3bi6 h VAL 508 CO 0.07 0.22 -0.15 0.00 0.02 0.00 0.00 177.57 177.73 3bi6 h ALA 510 N 1.00 1.85 0.00 0.00 0.00 -1.15 -2.11 119.26 118.85 3bi6 h ALA 510 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3bi6 h ALA 510 Cb 0.32 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3bi6 h ALA 510 CO -0.30 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.01 3bi6 n ALA 511 N -2.49 1.89 0.00 0.00 0.00 0.07 -2.63 120.51 117.35 3bi6 n ALA 511 Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3bi6 n ALA 511 Cb 0.23 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.43 3bi6 n ALA 511 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bi6 n GLY 512 N 0.01 0.80 3.50 0.00 0.00 -0.80 -4.34 105.19 104.38 3bi6 n GLY 512 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 3bi6 n GLY 512 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bi6 n ALA 513 N -0.81 -1.07 -1.02 4.61 0.00 -1.13 -4.57 120.51 116.52 3bi6 n ALA 513 Ca 0.00 -0.16 -0.33 0.00 0.00 0.00 0.00 53.44 52.95 3bi6 n ALA 513 Cb 0.00 -1.91 0.13 0.00 0.00 0.00 0.00 19.45 17.67 3bi6 n ALA 513 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3bi6 n GLU 514 N -0.75 0.05 -1.58 0.00 -0.58 -1.26 -4.87 120.64 111.64 3bi6 n GLU 514 Ca 0.11 0.09 -0.49 0.00 -0.42 0.00 0.00 57.16 56.46 3bi6 n GLU 514 Cb 0.49 -2.34 -0.04 0.00 -0.57 0.00 0.00 31.44 28.98 3bi6 n GLU 514 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 3bi6 n PRO 515 N -3.15 1.21 -2.43 3.49 -0.02 -1.26 -4.90 135.00 127.94 3bi6 n PRO 515 Ca 0.13 0.43 -0.36 0.00 -2.02 0.00 0.00 63.50 61.68 3bi6 n PRO 515 Cb 0.51 -1.93 -0.02 0.00 -0.02 0.00 0.00 33.50 32.03 3bi6 n PRO 515 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3bi6 s LEU 516 N 0.63 3.98 0.48 2.45 1.43 -1.26 -5.01 118.68 121.38 3bi6 s LEU 516 Ca 0.73 2.11 -0.22 0.00 -1.03 0.00 0.00 54.13 55.72 3bi6 s LEU 516 Cb -0.84 -4.35 -0.07 0.00 0.03 0.00 0.00 46.19 40.96 3bi6 s LEU 516 CO 0.52 -0.78 1.10 -2.16 0.23 0.00 0.00 176.35 175.27 3bi6 s PRO 517 N -2.84 3.73 0.15 1.29 0.04 -1.26 -4.93 135.00 131.18 3bi6 s PRO 517 Ca 0.64 1.58 0.21 0.00 0.04 0.00 0.00 61.00 63.47 3bi6 s PRO 517 Cb -0.23 -2.24 -0.06 0.00 0.04 0.00 0.00 34.50 32.01 3bi6 s PRO 517 CO 0.28 -0.53 0.93 0.54 0.04 0.00 0.00 177.00 178.26 3bi6 n ARG 518 N -0.75 0.61 -2.88 4.56 1.74 -1.26 -4.31 116.66 114.38 3bi6 n ARG 518 Ca 0.09 0.13 -0.01 0.00 -0.77 0.00 0.00 57.85 57.28 3bi6 n ARG 518 Cb 0.50 -1.80 0.01 0.00 -1.02 0.00 0.00 32.46 30.16 3bi6 n ARG 518 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3bi6 n ASN 519 N -2.70 -0.98 0.00 0.55 0.23 -1.26 -4.73 115.26 106.36 3bi6 n ASN 519 Ca -0.03 -1.49 0.00 0.00 -0.53 0.00 0.00 54.58 52.53 3bi6 n ASN 519 Cb 0.63 1.58 0.00 0.00 -2.08 0.00 0.00 39.78 39.92 3bi6 n ASN 519 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3bi6 n GLY 520 N -0.44 -2.80 0.32 4.83 0.00 -1.26 -4.01 105.19 101.83 3bi6 n GLY 520 Ca -0.01 -1.86 -0.03 0.00 0.00 0.00 0.00 46.02 44.12 3bi6 n GLY 520 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3bi6 h ASP 521 N 0.00 0.86 0.00 1.61 3.32 -2.02 -2.68 116.42 117.52 3bi6 h ASP 521 Ca 0.00 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 56.83 3bi6 h ASP 521 Cb 0.00 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 3bi6 h ASP 521 CO 0.00 0.79 -0.26 1.56 -1.72 0.00 0.00 179.24 179.61 3bi6 h GLN 522 N 0.91 0.41 0.16 3.56 4.20 -2.00 -2.05 115.11 120.30 3bi6 h GLN 522 Ca 0.21 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3bi6 h GLN 522 Cb 0.22 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 3bi6 h GLN 522 CO -0.01 0.65 -0.14 2.35 -0.67 0.00 0.00 178.83 181.00 3bi6 h TRP 523 N 0.37 -0.37 -0.85 2.96 7.01 -1.62 -2.99 115.95 120.46 3bi6 h TRP 523 Ca 0.05 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.02 3bi6 h TRP 523 Cb 0.66 0.14 -0.04 0.00 -2.10 0.00 0.00 29.16 27.83 3bi6 h TRP 523 CO 0.02 -0.22 0.40 0.45 -2.79 0.00 0.00 178.44 176.30 3bi6 h HIS 524 N -0.32 1.23 -0.41 2.65 3.86 -1.43 -2.71 115.15 118.02 3bi6 h HIS 524 Ca 0.00 -0.06 0.02 0.00 -1.16 0.00 0.00 60.37 59.17 3bi6 h HIS 524 Cb 0.30 -0.38 -0.03 0.00 1.06 0.00 0.00 27.41 28.36 3bi6 h HIS 524 CO -0.12 0.89 0.23 1.49 0.86 0.00 0.00 177.93 181.27 3bi6 h GLU 525 N 1.21 0.45 -0.81 2.45 4.57 -1.33 -1.73 114.58 119.40 3bi6 h GLU 525 Ca 0.29 -0.03 0.07 0.00 -1.18 0.00 0.00 59.36 58.51 3bi6 h GLU 525 Cb 0.13 -0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 28.55 3bi6 h GLU 525 CO -0.04 0.30 0.49 0.82 -1.18 0.00 0.00 179.01 179.40 3bi6 h ILE 526 N 0.47 1.01 0.00 2.32 2.04 -1.39 -1.59 117.51 120.36 3bi6 h ILE 526 Ca 0.17 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.72 3bi6 h ILE 526 Cb 0.03 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.16 3bi6 h ILE 526 CO -0.09 0.16 0.00 0.54 0.00 0.00 0.00 178.15 178.76 3bi6 n ARG 527 N -4.67 0.14 -0.00 2.37 3.00 -0.83 0.30 116.66 116.97 3bi6 n ARG 527 Ca 0.12 0.41 0.10 0.00 -0.01 0.00 0.00 57.85 58.47 3bi6 n ARG 527 Cb 0.19 -1.79 0.60 0.00 0.00 0.00 0.00 32.46 31.46 3bi6 n ARG 527 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 3bi6 n GLN 528 N -2.06 1.02 -0.49 5.56 1.13 -0.61 -4.35 117.38 117.58 3bi6 n GLN 528 Ca 0.02 -0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 3bi6 n GLN 528 Cb 0.19 -1.32 0.00 0.00 0.11 0.00 0.00 30.24 29.22 3bi6 n GLN 528 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3bi6 n GLY 529 N 0.83 0.73 3.62 1.08 0.00 0.15 -4.66 105.19 106.94 3bi6 n GLY 529 Ca 0.15 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 3bi6 n GLY 529 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3bi6 s ARG 530 N -0.72 4.07 0.29 1.61 3.03 -1.18 -4.85 118.95 121.19 3bi6 s ARG 530 Ca 0.00 0.19 -0.29 0.00 2.03 0.00 0.00 55.73 57.66 3bi6 s ARG 530 Cb 0.00 -3.63 -0.10 0.00 -1.03 0.00 0.00 34.95 30.19 3bi6 s ARG 530 CO 0.00 -0.27 1.18 -0.51 -1.13 0.00 0.00 175.30 174.58 3bi6 s LEU 531 N 2.04 4.50 0.77 -1.89 1.43 -1.26 -4.01 118.68 120.26 3bi6 s LEU 531 Ca 0.18 2.42 -0.14 0.00 -1.03 0.00 0.00 54.13 55.56 3bi6 s LEU 531 Cb -0.16 -3.63 0.06 0.00 0.03 0.00 0.00 46.19 42.49 3bi6 s LEU 531 CO 0.09 -0.31 1.19 -2.84 0.23 0.00 0.00 176.35 174.72 3bi6 s PRO 532 N -1.44 1.90 0.10 1.29 0.02 -1.26 -4.92 135.00 130.69 3bi6 s PRO 532 Ca 0.47 1.71 -0.34 0.00 0.02 0.00 0.00 61.00 62.86 3bi6 s PRO 532 Cb -0.35 -1.81 -0.14 0.00 0.02 0.00 0.00 34.50 32.22 3bi6 s PRO 532 CO 0.45 -2.00 1.62 -2.13 -0.33 0.00 0.00 177.00 174.60 3bi6 n ARG 533 N -3.05 2.03 -4.30 5.54 0.63 -1.26 -5.01 116.66 111.24 3bi6 n ARG 533 Ca 0.13 0.74 -0.34 0.00 -0.92 0.00 0.00 57.85 57.46 3bi6 n ARG 533 Cb 0.51 -2.50 -0.14 0.00 0.45 0.00 0.00 32.46 30.78 3bi6 n ARG 533 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3bi6 s ILE 534 N 1.53 3.41 -0.00 5.15 1.01 -1.26 -4.41 121.20 126.63 3bi6 s ILE 534 Ca 0.82 -0.51 -0.00 0.00 0.00 0.00 0.00 60.65 60.97 3bi6 s ILE 534 Cb -0.72 -2.50 0.00 0.00 0.01 0.00 0.00 42.46 39.25 3bi6 s ILE 534 CO 0.42 0.47 1.78 -0.81 0.00 0.00 0.00 174.94 176.81 3bi6 n PRO 535 N 4.09 1.00 -3.72 2.79 -0.04 -1.26 -4.79 135.00 133.08 3bi6 n PRO 535 Ca -0.18 -0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.18 3bi6 n PRO 535 Cb 0.52 -1.00 -0.04 0.00 -0.04 0.00 0.00 33.50 32.93 3bi6 n PRO 535 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 3bi6 s GLN 536 N -0.00 1.26 -0.16 0.54 -2.07 -1.26 -5.07 119.66 112.90 3bi6 s GLN 536 Ca 0.00 -0.84 -0.21 0.00 -1.82 0.00 0.00 55.36 52.49 3bi6 s GLN 536 Cb 0.00 0.49 -0.03 0.00 -1.09 0.00 0.00 33.01 32.38 3bi6 s GLN 536 CO 0.00 -0.52 0.62 0.08 -1.32 0.00 0.00 175.29 174.15 3bi6 s VAL 537 N -3.86 5.05 0.13 3.63 1.01 -1.26 -5.06 120.40 120.03 3bi6 s VAL 537 Ca 0.08 1.21 0.08 0.00 0.00 0.00 0.00 61.98 63.35 3bi6 s VAL 537 Cb 0.00 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 3bi6 s VAL 537 CO -0.06 0.17 -0.11 -0.76 0.00 0.00 0.00 175.10 174.35 3bi6 s LEU 538 N 1.49 2.99 0.31 3.92 1.43 -1.26 -4.93 118.68 122.62 3bi6 s LEU 538 Ca 0.30 -0.46 -0.26 0.00 -1.03 0.00 0.00 54.13 52.69 3bi6 s LEU 538 Cb -0.16 -1.76 -0.15 0.00 0.03 0.00 0.00 46.19 44.15 3bi6 s LEU 538 CO 0.12 0.16 0.63 -1.54 0.23 0.00 0.00 176.35 175.95 3bi6 n SER 539 N 0.52 -0.54 -0.34 2.29 3.41 -1.26 -4.82 113.62 112.88 3bi6 n SER 539 Ca -0.13 1.05 0.04 0.00 -0.26 0.00 0.00 58.87 59.58 3bi6 n SER 539 Cb 0.53 -1.09 0.20 0.00 -0.26 0.00 0.00 64.21 63.59 3bi6 n SER 539 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3bi6 h GLN 540 N 1.17 0.93 -0.82 4.33 4.15 -1.99 -2.33 115.11 120.55 3bi6 h GLN 540 Ca -0.36 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.00 3bi6 h GLN 540 Cb 1.40 -0.21 -0.04 0.00 0.21 0.00 0.00 27.48 28.84 3bi6 h GLN 540 CO 0.56 0.62 0.50 1.49 -1.93 0.00 0.00 178.83 180.06 3bi6 h GLU 541 N 0.96 1.12 -0.18 1.69 4.81 -2.00 -1.84 114.58 119.14 3bi6 h GLU 541 Ca 0.44 -0.10 -0.07 0.00 -0.13 0.00 0.00 59.36 59.50 3bi6 h GLU 541 Cb 0.37 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 3bi6 h GLU 541 CO -0.24 0.78 -0.17 0.35 -0.73 0.00 0.00 179.01 179.01 3bi6 h PHE 542 N 1.13 0.52 -1.00 0.92 3.57 -1.87 -2.70 116.94 117.51 3bi6 h PHE 542 Ca 0.30 -0.15 0.03 0.00 3.53 0.00 0.00 57.97 61.68 3bi6 h PHE 542 Cb -0.05 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 38.53 3bi6 h PHE 542 CO -0.00 0.80 0.66 1.15 -2.23 0.00 0.00 178.31 178.68 3bi6 h THR 543 N 0.09 1.18 -0.49 4.41 2.02 -1.29 -2.06 112.91 116.78 3bi6 h THR 543 Ca 0.03 -0.44 -0.04 0.00 0.77 0.00 0.00 66.41 66.73 3bi6 h THR 543 Cb 0.71 -0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 3bi6 h THR 543 CO 0.04 0.23 0.16 -0.33 0.37 0.00 0.00 175.52 176.00 3bi6 h GLU 544 N 1.28 0.76 0.02 6.66 5.08 -1.37 -0.65 114.58 126.35 3bi6 h GLU 544 Ca 0.40 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.62 3bi6 h GLU 544 Cb -0.01 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 3bi6 h GLU 544 CO -0.12 0.70 -0.15 1.25 -1.00 0.00 0.00 179.01 179.70 3bi6 h LEU 545 N 0.66 -0.42 -1.09 1.33 5.85 -1.12 0.35 115.31 120.88 3bi6 h LEU 545 Ca 0.16 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 3bi6 h LEU 545 Cb 0.26 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 3bi6 h LEU 545 CO -0.01 -0.20 0.50 -0.07 -0.34 0.00 0.00 178.44 178.32 3bi6 h LEU 546 N -0.25 1.00 -0.19 2.25 3.38 -1.14 -2.35 115.31 118.00 3bi6 h LEU 546 Ca 0.04 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 3bi6 h LEU 546 Cb 0.30 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3bi6 h LEU 546 CO -0.13 0.77 -0.19 0.50 0.09 0.00 0.00 178.44 179.48 3bi6 h LYS 547 N 1.15 0.47 -0.51 1.13 3.64 -0.89 -2.82 116.57 118.74 3bi6 h LYS 547 Ca 0.30 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 3bi6 h LYS 547 Cb -0.05 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 3bi6 h LYS 547 CO -0.06 0.82 0.29 -0.24 -2.27 0.00 0.00 179.45 177.99 3bi6 h VAL 548 N 0.14 1.15 0.00 2.00 3.04 -0.73 -2.50 116.25 119.35 3bi6 h VAL 548 Ca 0.03 -0.37 -0.01 0.00 -1.01 0.00 0.00 66.70 65.34 3bi6 h VAL 548 Cb 0.73 0.45 -0.00 0.00 -2.01 0.00 0.00 31.29 30.46 3bi6 h VAL 548 CO 0.05 0.17 -0.04 0.24 -1.01 0.00 0.00 177.57 176.97 3bi6 h MET 549 N 0.71 0.00 -0.53 4.17 2.86 -1.28 -1.45 114.93 119.40 3bi6 h MET 549 Ca 0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 3bi6 h MET 549 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3bi6 h MET 549 CO -0.03 0.04 0.00 0.44 1.06 0.00 0.00 176.91 178.42 3bi6 n ILE 550 N -3.37 1.91 -1.67 -1.22 -5.35 -0.96 -3.53 119.36 105.17 3bi6 n ILE 550 Ca -0.02 -1.32 -0.43 0.00 -0.27 0.00 0.00 62.75 60.71 3bi6 n ILE 550 Cb 0.18 0.07 -0.01 0.00 -1.74 0.00 0.00 39.64 38.13 3bi6 n ILE 550 CO 0.00 0.00 0.00 1.57 -1.76 0.00 0.00 176.55 176.36 3bi6 n HIS 551 N 0.71 2.06 0.30 4.28 -0.00 -0.55 -3.89 115.22 118.13 3bi6 n HIS 551 Ca 0.23 0.56 0.19 0.00 0.46 0.00 0.00 57.72 59.17 3bi6 n HIS 551 Cb 0.86 -2.39 0.88 0.00 -0.12 0.00 0.00 29.99 29.22 3bi6 n HIS 551 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3bi6 h PRO 552 N 2.76 0.00 -5.45 1.57 0.13 -1.83 -3.37 132.00 125.81 3bi6 h PRO 552 Ca -0.45 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.03 3bi6 h PRO 552 Cb 1.29 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.27 3bi6 h PRO 552 CO 0.65 0.00 0.15 0.34 -0.23 0.00 0.00 178.00 178.91 3bi6 s ASP 553 N -5.48 6.34 0.53 1.44 -1.08 -1.26 -4.93 116.67 112.23 3bi6 s ASP 553 Ca -0.01 -0.29 0.22 0.00 -0.52 0.00 0.00 52.55 51.96 3bi6 s ASP 553 Cb 0.10 -2.33 1.37 0.00 -1.46 0.00 0.00 42.92 40.61 3bi6 s ASP 553 CO 0.49 -0.78 2.06 -0.65 0.52 0.00 0.00 175.17 176.81 3bi6 h PRO 554 N 8.86 0.00 0.00 4.34 0.11 -1.97 -0.75 132.00 142.59 3bi6 h PRO 554 Ca -0.25 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.81 3bi6 h PRO 554 Cb 1.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3bi6 h PRO 554 CO 0.90 0.00 -0.20 0.93 -0.21 0.00 0.00 178.00 179.42 3bi6 h GLU 555 N 0.00 0.00 0.00 1.05 5.08 -1.93 -1.91 114.58 116.87 3bi6 h GLU 555 Ca 0.14 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.43 3bi6 h GLU 555 Cb 0.59 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 3bi6 h GLU 555 CO -0.00 0.20 -0.36 0.00 -1.00 0.00 0.00 179.01 177.85 3bi6 h ARG 556 N 0.00 0.00 -7.02 2.33 2.47 -1.49 -3.45 114.38 107.22 3bi6 h ARG 556 Ca -0.00 0.00 -0.52 0.00 -1.26 0.00 0.00 59.98 58.20 3bi6 h ARG 556 Cb 0.65 0.00 0.08 0.00 -1.65 0.00 0.00 29.97 29.05 3bi6 h ARG 556 CO 0.03 0.36 0.51 1.03 0.56 0.00 0.00 179.97 182.46 3bi6 s ARG 557 N -3.80 3.61 0.51 0.04 0.52 -0.72 -4.86 118.95 114.25 3bi6 s ARG 557 Ca -0.01 1.86 -0.20 0.00 -0.52 0.00 0.00 55.73 56.87 3bi6 s ARG 557 Cb 0.12 -2.36 -0.07 0.00 0.52 0.00 0.00 34.95 33.16 3bi6 s ARG 557 CO 0.69 -0.70 1.08 -1.25 0.02 0.00 0.00 175.30 175.13 3bi6 s PRO 558 N -2.77 3.61 0.99 3.54 0.04 -1.26 -5.03 135.00 134.12 3bi6 s PRO 558 Ca 0.66 1.46 -0.12 0.00 0.04 0.00 0.00 61.00 63.04 3bi6 s PRO 558 Cb -0.31 -2.06 0.18 0.00 0.04 0.00 0.00 34.50 32.36 3bi6 s PRO 558 CO 0.37 -0.61 1.08 -1.54 0.04 0.00 0.00 177.00 176.35 3bi6 s SER 559 N -1.91 2.67 0.27 6.66 1.04 -1.26 -4.81 113.70 116.35 3bi6 s SER 559 Ca 0.69 1.37 -0.02 0.00 0.48 0.00 0.00 55.95 58.47 3bi6 s SER 559 Cb -0.19 -2.05 0.36 0.00 0.10 0.00 0.00 66.02 64.24 3bi6 s SER 559 CO 0.23 -3.13 1.83 0.00 0.98 0.00 0.00 173.24 173.15 3bi6 h ALA 560 N -1.89 1.20 0.19 5.32 0.00 -1.91 -0.55 119.26 121.62 3bi6 h ALA 560 Ca -0.53 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.17 3bi6 h ALA 560 Cb 1.31 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3bi6 h ALA 560 CO 0.55 0.56 -0.09 1.98 0.00 0.00 0.00 179.25 182.25 3bi6 h MET 561 N 0.88 -0.25 -0.78 0.00 1.85 -1.92 -1.00 114.93 113.71 3bi6 h MET 561 Ca 0.20 0.02 0.12 0.00 -0.61 0.00 0.00 59.70 59.43 3bi6 h MET 561 Cb 0.25 0.06 -0.09 0.00 0.43 0.00 0.00 31.60 32.25 3bi6 h MET 561 CO -0.01 -0.03 0.38 0.00 -0.40 0.00 0.00 176.91 176.85 3bi6 h ALA 562 N 0.35 1.13 -0.25 0.39 0.00 -1.87 -2.35 119.26 116.67 3bi6 h ALA 562 Ca -0.03 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.02 3bi6 h ALA 562 Cb 0.33 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 3bi6 h ALA 562 CO 0.04 -0.09 -0.26 1.25 0.00 0.00 0.00 179.25 180.19 3bi6 h LEU 563 N 0.59 -0.84 -1.46 0.00 5.85 -0.89 0.02 115.31 118.58 3bi6 h LEU 563 Ca 0.41 0.15 -0.05 0.00 0.84 0.00 0.00 57.88 59.22 3bi6 h LEU 563 Cb 0.53 0.39 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 3bi6 h LEU 563 CO -0.33 -0.30 -0.25 -0.37 -0.34 0.00 0.00 178.44 176.85 3bi6 h VAL 564 N -0.27 0.87 -0.01 1.05 -1.51 -0.86 -1.64 116.25 113.87 3bi6 h VAL 564 Ca 0.14 -0.99 0.00 0.00 -1.23 0.00 0.00 66.70 64.62 3bi6 h VAL 564 Cb 0.48 1.59 0.00 0.00 -2.13 0.00 0.00 31.29 31.23 3bi6 h VAL 564 CO -0.40 0.25 -0.22 0.29 -1.23 0.00 0.00 177.57 176.26 3bi6 n LYS 565 N -3.78 0.82 -1.75 5.19 5.02 -0.91 -4.86 118.16 117.89 3bi6 n LYS 565 Ca -0.01 -0.45 -0.42 0.00 -2.02 0.00 0.00 58.31 55.41 3bi6 n LYS 565 Cb 0.35 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 33.87 3bi6 n LYS 565 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 3bi6 n HIS 566 N -0.70 2.76 0.21 2.13 -0.00 -0.03 -4.87 115.22 114.72 3bi6 n HIS 566 Ca 0.13 0.46 0.05 0.00 0.46 0.00 0.00 57.72 58.83 3bi6 n HIS 566 Cb 0.33 -2.50 0.47 0.00 -0.12 0.00 0.00 29.99 28.17 3bi6 n HIS 566 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 3bi6 h SER 567 N 2.99 0.00 -0.13 0.26 4.64 -1.89 -1.08 113.55 118.34 3bi6 h SER 567 Ca -0.49 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.82 3bi6 h SER 567 Cb 1.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.34 3bi6 h SER 567 CO 0.65 0.27 0.07 0.58 -0.87 0.00 0.00 176.83 177.53 3bi6 h VAL 568 N 0.00 1.06 -0.01 0.95 2.07 -1.94 -2.37 116.25 116.01 3bi6 h VAL 568 Ca -0.00 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.33 3bi6 h VAL 568 Cb 0.52 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3bi6 h VAL 568 CO 0.04 0.07 -0.31 0.18 0.02 0.00 0.00 177.57 177.57 3bi6 n LEU 569 N -4.48 1.57 0.00 2.57 4.77 -0.45 -5.05 117.00 115.93 3bi6 n LEU 569 Ca -0.01 -0.52 0.13 0.00 -0.03 0.00 0.00 56.01 55.59 3bi6 n LEU 569 Cb 0.11 -0.06 0.79 0.00 -2.33 0.00 0.00 43.42 41.93 3bi6 n LEU 569 CO 0.35 0.29 0.96 0.18 -1.33 0.00 0.00 177.39 177.84