#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s4m s VAL 302 N 0.00 4.31 -0.00 2.03 0.11 0.82 -4.15 120.40 123.52 1s4m s VAL 302 Ca 0.00 1.88 0.07 0.00 -2.93 0.00 0.00 61.98 61.00 1s4m s VAL 302 Cb 0.00 -4.23 -0.02 0.00 -1.53 0.00 0.00 36.38 30.60 1s4m s VAL 302 CO 0.00 0.48 -0.22 -0.69 -3.33 0.00 0.00 175.10 171.34 1s4m s VAL 303 N -0.92 1.74 0.10 2.04 1.01 0.33 -1.86 120.40 122.83 1s4m s VAL 303 Ca 0.39 -1.01 0.06 0.00 0.00 0.00 0.00 61.98 61.42 1s4m s VAL 303 Cb -0.24 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1s4m s VAL 303 CO 0.28 0.42 -0.05 -0.44 0.00 0.00 0.00 175.10 175.31 1s4m s SER 304 N -0.69 4.69 -0.00 3.32 0.01 -0.41 -0.25 113.70 120.36 1s4m s SER 304 Ca 0.08 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.06 1s4m s SER 304 Cb -0.09 -1.00 0.00 0.00 0.21 0.00 0.00 66.02 65.14 1s4m s SER 304 CO -0.00 0.18 -0.00 -0.63 0.41 0.00 0.00 173.24 173.19 1s4m s ILE 305 N -1.26 0.05 0.00 1.44 1.01 -0.93 -0.46 121.20 121.04 1s4m s ILE 305 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.87 1s4m s ILE 305 Cb -0.11 -0.06 0.00 0.00 0.01 0.00 0.00 42.46 42.30 1s4m s ILE 305 CO 0.16 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.73 1s4m n GLY 306 N 3.13 0.14 0.07 6.18 0.00 -0.95 -4.47 105.19 109.28 1s4m n GLY 306 Ca -0.13 -1.17 -0.11 0.00 0.00 0.00 0.00 46.02 44.62 1s4m n GLY 306 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1s4m h VAL 307 N 2.57 1.34 -2.00 1.61 2.07 -1.86 -0.31 116.25 119.66 1s4m h VAL 307 Ca 0.00 -1.96 -0.23 0.00 0.82 0.00 0.00 66.70 65.32 1s4m h VAL 307 Cb 0.00 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 1s4m h VAL 307 CO 0.00 0.45 -0.32 0.49 0.02 0.00 0.00 177.57 178.21 1s4m n PHE 308 N -4.67 -0.73 -1.84 1.57 3.72 -1.26 -4.47 117.46 109.78 1s4m n PHE 308 Ca -0.08 0.09 -0.43 0.00 -0.05 0.00 0.00 57.45 56.99 1s4m n PHE 308 Cb 0.36 -2.78 -0.03 0.00 -0.94 0.00 0.00 39.48 36.09 1s4m n PHE 308 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1s4m s ASP 309 N -2.57 6.16 0.00 4.37 3.68 -1.26 -1.58 116.67 125.47 1s4m s ASP 309 Ca 0.05 2.03 0.00 0.00 2.13 0.00 0.00 52.55 56.76 1s4m s ASP 309 Cb -0.02 -2.53 0.00 0.00 -1.45 0.00 0.00 42.92 38.92 1s4m s ASP 309 CO 0.06 -1.37 0.00 0.61 0.13 0.00 0.00 175.17 174.60 1s4m n GLY 310 N 4.90 3.31 3.95 2.66 0.00 -1.26 -4.60 105.19 114.15 1s4m n GLY 310 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 1s4m n GLY 310 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1s4m n VAL 311 N -1.39 -3.70 -1.32 1.61 0.31 -0.61 -4.95 118.33 108.27 1s4m n VAL 311 Ca 0.00 -0.71 -0.18 0.00 -0.01 0.00 0.00 64.34 63.44 1s4m n VAL 311 Cb 0.00 -2.93 0.14 0.00 -0.91 0.00 0.00 33.84 30.14 1s4m n VAL 311 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1s4m n HIS 312 N -4.65 -3.85 0.25 3.52 1.44 -1.26 -4.63 115.22 106.05 1s4m n HIS 312 Ca -0.15 -0.70 0.12 0.00 -2.01 0.00 0.00 57.72 54.98 1s4m n HIS 312 Cb 0.60 -0.67 0.65 0.00 0.12 0.00 0.00 29.99 30.70 1s4m n HIS 312 CO 0.00 0.00 0.00 -0.84 -2.81 0.00 0.00 176.34 172.69 1s4m h ILE 313 N -1.75 0.60 -0.23 0.61 3.07 -1.54 -0.03 117.51 118.24 1s4m h ILE 313 Ca -0.27 -0.69 -0.09 0.00 1.55 0.00 0.00 64.86 65.37 1s4m h ILE 313 Cb 0.76 1.45 -0.00 0.00 -0.27 0.00 0.00 36.82 38.75 1s4m h ILE 313 CO 0.18 0.15 -0.20 1.23 -1.05 0.00 0.00 178.15 178.46 1s4m h GLY 314 N 1.11 0.59 0.99 0.16 0.00 -1.88 -1.70 103.07 102.33 1s4m h GLY 314 Ca -0.00 -0.59 -0.00 0.00 0.00 0.00 0.00 47.33 46.74 1s4m h GLY 314 CO 0.02 0.53 0.23 0.45 0.00 0.00 0.00 176.54 177.77 1s4m h HIS 315 N 0.24 0.48 -0.63 5.60 3.86 -1.61 -0.95 115.15 122.14 1s4m h HIS 315 Ca 0.04 0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.32 1s4m h HIS 315 Cb 0.74 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 29.01 1s4m h HIS 315 CO 0.07 0.33 0.42 1.96 0.86 0.00 0.00 177.93 181.57 1s4m h GLN 316 N 0.49 0.56 -0.46 2.45 4.20 -1.00 0.15 115.11 121.50 1s4m h GLN 316 Ca 0.13 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.75 1s4m h GLN 316 Cb -0.02 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 1s4m h GLN 316 CO -0.03 0.37 0.07 -0.22 -0.67 0.00 0.00 178.83 178.35 1s4m h LYS 317 N 0.58 0.77 -0.01 1.46 3.64 -0.24 0.32 116.57 123.10 1s4m h LYS 317 Ca 0.28 -0.21 0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1s4m h LYS 317 Cb 0.34 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1s4m h LYS 317 CO -0.08 0.79 -0.10 0.28 -2.27 0.00 0.00 179.45 178.06 1s4m h VAL 318 N 0.64 0.73 -0.65 2.00 2.07 -0.36 -0.62 116.25 120.06 1s4m h VAL 318 Ca 0.14 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.58 1s4m h VAL 318 Cb 0.40 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1s4m h VAL 318 CO 0.01 0.00 0.09 -0.07 0.02 0.00 0.00 177.57 177.62 1s4m h LEU 319 N -0.18 1.05 -1.12 2.57 3.38 -0.48 -1.99 115.31 118.54 1s4m h LEU 319 Ca 0.04 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 1s4m h LEU 319 Cb 0.23 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1s4m h LEU 319 CO -0.11 1.05 -0.10 0.03 0.09 0.00 0.00 178.44 179.40 1s4m h ARG 320 N 1.00 0.49 -0.26 1.13 3.08 -0.10 -1.64 114.38 118.08 1s4m h ARG 320 Ca 0.19 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 1s4m h ARG 320 Cb 0.46 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1s4m h ARG 320 CO 0.02 0.60 0.06 1.15 -1.07 0.00 0.00 179.97 180.72 1s4m h THR 321 N 0.46 1.22 -0.38 2.04 2.02 -0.78 -0.98 112.91 116.50 1s4m h THR 321 Ca 0.09 -0.72 0.08 0.00 0.77 0.00 0.00 66.41 66.63 1s4m h THR 321 Cb 0.46 1.19 -0.07 0.00 -1.74 0.00 0.00 68.15 67.99 1s4m h THR 321 CO 0.03 0.23 -0.11 -0.03 0.37 0.00 0.00 175.52 176.01 1s4m h MET 322 N 0.25 -0.02 -0.50 6.66 1.85 -0.99 0.80 114.93 122.98 1s4m h MET 322 Ca 0.08 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.15 1s4m h MET 322 Cb 0.29 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.30 1s4m h MET 322 CO 0.00 -0.01 0.22 0.87 -0.40 0.00 0.00 176.91 177.58 1s4m h LYS 323 N -0.02 0.70 -0.37 0.39 1.79 -1.01 0.20 116.57 118.24 1s4m h LYS 323 Ca 0.19 -0.09 -0.15 0.00 -2.18 0.00 0.00 60.65 58.41 1s4m h LYS 323 Cb 0.30 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 1s4m h LYS 323 CO -0.41 0.57 -0.37 0.93 -1.08 0.00 0.00 179.45 179.10 1s4m h GLU 324 N 0.70 0.88 -0.47 3.15 4.39 0.16 -1.13 114.58 122.26 1s4m h GLU 324 Ca 0.17 -0.45 -0.08 0.00 0.34 0.00 0.00 59.36 59.35 1s4m h GLU 324 Cb 0.11 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1s4m h GLU 324 CO -0.02 1.09 -0.01 0.82 -1.16 0.00 0.00 179.01 179.73 1s4m h ILE 325 N 0.72 1.26 -0.75 3.13 2.04 -0.27 0.26 117.51 123.91 1s4m h ILE 325 Ca 0.06 -1.08 0.01 0.00 1.00 0.00 0.00 64.86 64.86 1s4m h ILE 325 Cb 0.94 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 38.01 1s4m h ILE 325 CO 0.09 0.37 0.50 0.00 0.00 0.00 0.00 178.15 179.11 1s4m h ALA 326 N 0.92 0.96 -0.22 1.87 0.00 -0.49 0.22 119.26 122.52 1s4m h ALA 326 Ca 0.13 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1s4m h ALA 326 Cb 0.52 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1s4m h ALA 326 CO 0.03 0.36 -0.03 0.35 0.00 0.00 0.00 179.25 179.96 1s4m h PHE 327 N 1.01 0.45 -0.45 0.00 3.57 -0.85 0.02 116.94 120.69 1s4m h PHE 327 Ca 0.28 -0.09 0.07 0.00 3.53 0.00 0.00 57.97 61.76 1s4m h PHE 327 Cb -0.11 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 38.46 1s4m h PHE 327 CO -0.02 0.62 0.12 0.35 -2.23 0.00 0.00 178.31 177.16 1s4m h PHE 328 N 0.15 0.21 -0.08 0.41 3.57 0.32 -2.19 116.94 119.33 1s4m h PHE 328 Ca 0.06 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1s4m h PHE 328 Cb 0.46 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.18 1s4m h PHE 328 CO 0.05 0.05 0.00 0.54 -2.23 0.00 0.00 178.31 176.71 1s4m n ARG 329 N -5.06 1.62 -3.25 1.11 1.74 0.71 -4.92 116.66 108.61 1s4m n ARG 329 Ca 0.04 -0.91 -0.23 0.00 -0.77 0.00 0.00 57.85 55.98 1s4m n ARG 329 Cb 0.20 -1.44 0.04 0.00 -1.02 0.00 0.00 32.46 30.24 1s4m n ARG 329 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1s4m n LYS 330 N 0.11 -5.50 -4.08 5.56 5.02 -0.15 -4.99 118.16 114.12 1s4m n LYS 330 Ca 0.18 0.83 -0.27 0.00 -2.02 0.00 0.00 58.31 57.03 1s4m n LYS 330 Cb 0.31 -5.72 -0.03 0.00 -0.02 0.00 0.00 35.03 29.57 1s4m n LYS 330 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1s4m s ASP 331 N -2.89 4.52 0.45 4.39 -0.00 -0.36 -5.03 116.67 117.75 1s4m s ASP 331 Ca 0.41 -1.26 0.03 0.00 -0.00 0.00 0.00 52.55 51.73 1s4m s ASP 331 Cb -0.19 0.20 0.01 0.00 -0.00 0.00 0.00 42.92 42.94 1s4m s ASP 331 CO 0.50 -0.92 0.64 -1.81 -0.00 0.00 0.00 175.17 173.58 1s4m s ASP 332 N -4.12 5.65 0.08 0.27 1.01 -1.26 -4.57 116.67 113.72 1s4m s ASP 332 Ca 0.31 -0.05 0.05 0.00 0.71 0.00 0.00 52.55 53.57 1s4m s ASP 332 Cb -0.00 -1.08 -0.04 0.00 1.01 0.00 0.00 42.92 42.81 1s4m s ASP 332 CO 0.18 -0.80 -0.03 -0.44 0.21 0.00 0.00 175.17 174.29 1s4m s SER 333 N -4.30 4.86 -0.11 0.27 0.01 -1.26 -0.13 113.70 113.03 1s4m s SER 333 Ca 0.52 -0.21 -0.06 0.00 1.31 0.00 0.00 55.95 57.51 1s4m s SER 333 Cb -0.10 -1.12 0.05 0.00 0.21 0.00 0.00 66.02 65.06 1s4m s SER 333 CO 0.36 0.19 0.27 -0.22 0.41 0.00 0.00 173.24 174.25 1s4m s LEU 334 N -2.16 0.33 -0.19 2.44 2.96 -0.78 -4.28 118.68 117.01 1s4m s LEU 334 Ca 0.24 0.57 -0.05 0.00 -0.22 0.00 0.00 54.13 54.67 1s4m s LEU 334 Cb -0.11 0.82 -0.03 0.00 0.50 0.00 0.00 46.19 47.37 1s4m s LEU 334 CO 0.16 -0.17 0.00 -0.63 -1.32 0.00 0.00 176.35 174.39 1s4m s ILE 335 N 1.29 4.05 -0.31 6.68 1.01 0.03 -1.29 121.20 132.66 1s4m s ILE 335 Ca -0.09 -0.29 -0.10 0.00 0.00 0.00 0.00 60.65 60.17 1s4m s ILE 335 Cb -0.10 -2.82 -0.01 0.00 0.01 0.00 0.00 42.46 39.54 1s4m s ILE 335 CO -0.09 0.44 0.17 -0.31 0.00 0.00 0.00 174.94 175.15 1s4m s TYR 336 N 0.82 3.19 -0.17 3.97 2.02 0.39 -0.72 117.35 126.85 1s4m s TYR 336 Ca 0.01 -0.43 -0.04 0.00 -0.37 0.00 0.00 57.07 56.24 1s4m s TYR 336 Cb -0.14 -2.37 -0.02 0.00 -0.40 0.00 0.00 41.96 39.02 1s4m s TYR 336 CO 0.02 -0.41 -0.04 -0.08 -1.57 0.00 0.00 175.55 173.48 1s4m s THR 337 N 1.65 3.75 -0.22 -0.71 -1.32 -0.31 -2.24 115.64 116.25 1s4m s THR 337 Ca 0.05 -0.40 -0.29 0.00 -1.21 0.00 0.00 61.69 59.85 1s4m s THR 337 Cb -0.17 -2.66 0.01 0.00 -1.51 0.00 0.00 72.50 68.17 1s4m s THR 337 CO 0.07 0.47 1.03 -0.63 -2.21 0.00 0.00 174.62 173.36 1s4m s ILE 338 N 0.65 4.69 0.15 5.08 1.01 -0.13 -0.63 121.20 132.03 1s4m s ILE 338 Ca -0.02 2.02 -0.22 0.00 0.00 0.00 0.00 60.65 62.43 1s4m s ILE 338 Cb -0.14 -4.31 0.04 0.00 0.01 0.00 0.00 42.46 38.05 1s4m s ILE 338 CO 0.02 -0.16 1.28 -1.54 0.00 0.00 0.00 174.94 174.55 1s4m n SER 339 N 6.18 -0.76 -4.09 3.58 3.41 0.07 -4.47 113.62 117.54 1s4m n SER 339 Ca 0.12 1.47 -0.08 0.00 -0.26 0.00 0.00 58.87 60.11 1s4m n SER 339 Cb 0.46 -0.24 -0.10 0.00 -0.26 0.00 0.00 64.21 64.07 1s4m n SER 339 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1s4m s TYR 340 N -5.55 0.55 0.49 7.33 2.02 -1.26 -4.92 117.35 116.02 1s4m s TYR 340 Ca -0.10 -0.96 -0.10 0.00 -0.37 0.00 0.00 57.07 55.54 1s4m s TYR 340 Cb 0.12 -0.39 -0.05 0.00 -0.40 0.00 0.00 41.96 41.24 1s4m s TYR 340 CO 0.54 -0.31 0.87 -1.25 -1.57 0.00 0.00 175.55 173.83 1s4m s PRO 341 N -3.52 3.70 0.24 -1.71 0.04 -1.26 -4.72 135.00 127.77 1s4m s PRO 341 Ca 0.04 0.54 -0.04 0.00 0.04 0.00 0.00 61.00 61.57 1s4m s PRO 341 Cb 0.05 -2.27 0.39 0.00 0.04 0.00 0.00 34.50 32.70 1s4m s PRO 341 CO -0.08 -0.24 1.81 -1.35 0.04 0.00 0.00 177.00 177.18 1s4m h PRO 342 N 0.55 0.79 -0.36 0.56 0.11 -2.00 -2.12 132.00 129.53 1s4m h PRO 342 Ca -0.46 -0.05 0.10 0.00 0.11 0.00 0.00 66.00 65.70 1s4m h PRO 342 Cb 1.19 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1s4m h PRO 342 CO 0.62 0.52 0.30 0.93 -0.21 0.00 0.00 178.00 180.16 1s4m h GLU 343 N 0.81 0.00 -0.93 1.05 3.07 -1.94 -1.73 114.58 114.91 1s4m h GLU 343 Ca 0.39 0.00 0.15 0.00 -0.50 0.00 0.00 59.36 59.41 1s4m h GLU 343 Cb 0.34 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 28.17 1s4m h GLU 343 CO -0.24 0.00 0.59 -0.92 -1.40 0.00 0.00 179.01 177.05 1s4m h TYR 344 N 0.00 0.89 -0.60 4.33 3.20 -1.76 -1.16 116.97 121.87 1s4m h TYR 344 Ca 0.17 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.07 1s4m h TYR 344 Cb 0.77 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.76 1s4m h TYR 344 CO 0.00 0.30 0.00 1.19 -1.64 0.00 0.00 178.16 178.01 1s4m n PHE 345 N -4.60 1.53 -4.40 -3.82 3.72 -0.65 -4.83 117.46 104.41 1s4m n PHE 345 Ca 0.19 -0.59 -0.25 0.00 -0.05 0.00 0.00 57.45 56.75 1s4m n PHE 345 Cb 0.49 -0.29 -0.09 0.00 -0.94 0.00 0.00 39.48 38.65 1s4m n PHE 345 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1s4m s LEU 346 N -1.92 2.91 0.48 4.37 2.01 -0.44 -5.10 118.68 121.00 1s4m s LEU 346 Ca 0.49 -1.08 -0.24 0.00 0.01 0.00 0.00 54.13 53.31 1s4m s LEU 346 Cb 0.33 -1.23 -0.08 0.00 0.01 0.00 0.00 46.19 45.22 1s4m s LEU 346 CO 0.21 -0.27 1.29 -2.65 1.01 0.00 0.00 176.35 175.95 1s4m n PRO 347 N -0.93 1.80 -2.02 1.29 -0.02 -1.26 -3.56 135.00 130.30 1s4m n PRO 347 Ca -0.04 0.65 -0.15 0.00 -2.02 0.00 0.00 63.50 61.94 1s4m n PRO 347 Cb 0.63 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.63 1s4m n PRO 347 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1s4m n ASP 348 N -0.30 -4.69 -4.70 2.55 10.43 -1.26 -4.97 116.55 113.61 1s4m n ASP 348 Ca 0.08 0.11 -0.42 0.00 2.57 0.00 0.00 54.79 57.13 1s4m n ASP 348 Cb 0.42 -3.73 -0.03 0.00 1.84 0.00 0.00 41.12 39.62 1s4m n ASP 348 CO 0.00 0.00 0.00 0.12 -1.07 0.00 0.00 177.20 176.25 1s4m s PHE 349 N -2.70 2.82 0.41 1.24 5.36 -1.23 -4.87 117.98 119.01 1s4m s PHE 349 Ca 0.00 0.65 0.11 0.00 -0.96 0.00 0.00 56.93 56.72 1s4m s PHE 349 Cb 0.00 -3.81 0.93 0.00 -0.34 0.00 0.00 43.02 39.80 1s4m s PHE 349 CO 0.00 -3.06 1.99 -1.35 -1.46 0.00 0.00 175.22 171.34 1s4m h PRO 350 N 7.63 0.50 0.00 10.12 0.11 -1.93 -3.48 132.00 144.94 1s4m h PRO 350 Ca -0.41 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1s4m h PRO 350 Cb 1.20 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1s4m h PRO 350 CO 0.91 0.33 0.00 0.41 -0.21 0.00 0.00 178.00 179.43 1s4m n GLY 351 N -1.49 3.21 3.61 -0.55 0.00 -1.26 -3.65 105.19 105.05 1s4m n GLY 351 Ca 0.08 -1.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 1s4m n GLY 351 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s4m s LEU 352 N 0.00 1.92 0.16 0.99 1.43 0.84 -3.27 118.68 120.75 1s4m s LEU 352 Ca 0.00 1.79 0.15 0.00 -1.03 0.00 0.00 54.13 55.04 1s4m s LEU 352 Cb 0.00 -3.99 -0.05 0.00 0.03 0.00 0.00 46.19 42.18 1s4m s LEU 352 CO 0.00 -3.47 1.14 -0.07 0.23 0.00 0.00 176.35 174.19 1s4m h LEU 353 N -2.12 0.00 -7.61 1.79 3.38 -1.88 0.75 115.31 109.61 1s4m h LEU 353 Ca -0.52 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.48 1s4m h LEU 353 Cb 1.30 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.97 1s4m h LEU 353 CO 0.47 0.59 0.20 0.00 0.09 0.00 0.00 178.44 179.79 1s4m s MET 354 N -2.91 1.56 0.71 1.13 0.23 -1.26 -4.85 119.30 113.91 1s4m s MET 354 Ca 0.01 -0.80 -0.11 0.00 -1.03 0.00 0.00 55.69 53.76 1s4m s MET 354 Cb 0.08 0.59 0.02 0.00 -1.53 0.00 0.00 34.83 33.99 1s4m s MET 354 CO 0.78 -0.70 1.07 0.95 -2.03 0.00 0.00 175.02 175.09 1s4m s THR 355 N -3.86 3.82 0.21 3.16 -4.23 -1.26 -4.84 115.64 108.65 1s4m s THR 355 Ca 0.07 0.60 -0.09 0.00 -1.18 0.00 0.00 61.69 61.10 1s4m s THR 355 Cb -0.04 -3.26 0.15 0.00 1.34 0.00 0.00 72.50 70.69 1s4m s THR 355 CO -0.01 -0.77 1.77 0.58 -0.54 0.00 0.00 174.62 175.65 1s4m h VAL 356 N -0.79 0.85 -0.76 2.29 2.07 -1.99 -0.95 116.25 116.96 1s4m h VAL 356 Ca -0.44 -0.18 0.09 0.00 0.82 0.00 0.00 66.70 66.99 1s4m h VAL 356 Cb 1.22 0.27 -0.07 0.00 -1.52 0.00 0.00 31.29 31.19 1s4m h VAL 356 CO 0.55 0.10 0.42 -0.08 0.02 0.00 0.00 177.57 178.58 1s4m h GLU 357 N 0.53 0.69 -0.30 1.57 4.81 -1.99 0.23 114.58 120.12 1s4m h GLU 357 Ca 0.31 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.34 1s4m h GLU 357 Cb 0.32 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1s4m h GLU 357 CO -0.26 0.46 -0.45 0.77 -0.73 0.00 0.00 179.01 178.80 1s4m h SER 358 N 0.71 0.84 -0.30 1.04 0.02 -1.70 -1.40 113.55 112.75 1s4m h SER 358 Ca 0.37 -0.40 0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1s4m h SER 358 Cb 0.34 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1s4m h SER 358 CO -0.25 1.16 0.18 -0.09 -1.14 0.00 0.00 176.83 176.69 1s4m h ARG 359 N 0.62 0.36 -0.70 3.45 2.43 -0.27 -2.25 114.38 118.02 1s4m h ARG 359 Ca 0.04 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 1s4m h ARG 359 Cb 1.01 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.45 1s4m h ARG 359 CO 0.10 0.24 0.25 0.28 -1.51 0.00 0.00 179.97 179.33 1s4m h VAL 360 N 0.37 1.25 -0.72 0.20 2.07 -0.34 0.67 116.25 119.75 1s4m h VAL 360 Ca 0.12 -0.81 0.06 0.00 0.82 0.00 0.00 66.70 66.88 1s4m h VAL 360 Cb -0.01 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.15 1s4m h VAL 360 CO -0.05 0.32 0.42 -0.08 0.02 0.00 0.00 177.57 178.20 1s4m h GLU 361 N 1.02 0.75 -0.29 1.57 4.81 -0.86 0.29 114.58 121.86 1s4m h GLU 361 Ca 0.23 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.25 1s4m h GLU 361 Cb 0.24 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 1s4m h GLU 361 CO -0.01 0.50 -0.44 0.52 -0.73 0.00 0.00 179.01 178.84 1s4m h MET 362 N 0.78 0.82 -0.44 1.92 2.86 -0.78 -3.22 114.93 116.88 1s4m h MET 362 Ca 0.31 -0.49 -0.07 0.00 -2.06 0.00 0.00 59.70 57.39 1s4m h MET 362 Cb 0.16 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 1s4m h MET 362 CO -0.17 1.12 -0.02 -0.07 1.06 0.00 0.00 176.91 178.83 1s4m h LEU 363 N 0.59 0.69 -1.24 1.22 3.38 -0.16 -2.61 115.31 117.18 1s4m h LEU 363 Ca 0.03 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1s4m h LEU 363 Cb 1.05 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1s4m h LEU 363 CO 0.10 0.77 0.00 0.28 0.09 0.00 0.00 178.44 179.69 1s4m h SER 364 N 0.67 0.00 1.07 -0.43 0.02 -0.46 0.17 113.55 114.60 1s4m h SER 364 Ca 0.13 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.02 1s4m h SER 364 Cb 0.45 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1s4m h SER 364 CO 0.02 0.00 -0.30 0.03 -1.14 0.00 0.00 176.83 175.44 1s4m h ARG 365 N 0.00 0.00 0.17 3.45 3.08 -1.53 -3.23 114.38 116.32 1s4m h ARG 365 Ca 0.00 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.70 1s4m h ARG 365 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1s4m h ARG 365 CO 0.00 0.30 -1.75 1.88 -1.07 0.00 0.00 179.97 179.33 1s4m h TYR 366 N 0.00 0.66 -1.42 3.04 0.05 -1.11 -3.50 116.97 114.68 1s4m h TYR 366 Ca -0.00 -0.48 0.34 0.00 0.05 0.00 0.00 58.73 58.64 1s4m h TYR 366 Cb 0.91 -0.03 -0.12 0.00 1.01 0.00 0.00 36.73 38.51 1s4m h TYR 366 CO 0.00 1.68 0.87 0.00 -1.05 0.00 0.00 178.16 179.67 1s4m s ALA 367 N -2.56 -2.33 0.01 3.88 0.00 -1.07 -5.03 121.76 114.65 1s4m s ALA 367 Ca -0.17 0.68 -0.37 0.00 0.00 0.00 0.00 51.96 52.10 1s4m s ALA 367 Cb 0.05 0.39 -0.16 0.00 0.00 0.00 0.00 23.12 23.41 1s4m s ALA 367 CO 0.83 -1.07 1.51 -2.13 0.00 0.00 0.00 175.76 174.90 1s4m n ARG 368 N -0.54 1.40 -5.09 0.00 0.63 -1.26 -4.07 116.66 107.74 1s4m n ARG 368 Ca -0.08 0.51 -0.30 0.00 -0.92 0.00 0.00 57.85 57.06 1s4m n ARG 368 Cb 0.63 -2.20 -0.17 0.00 0.45 0.00 0.00 32.46 31.17 1s4m n ARG 368 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1s4m s THR 369 N 1.47 1.82 -0.08 5.15 2.01 -1.26 -0.79 115.64 123.97 1s4m s THR 369 Ca 0.87 -0.92 0.03 0.00 0.31 0.00 0.00 61.69 61.99 1s4m s THR 369 Cb -0.91 -1.57 0.00 0.00 0.01 0.00 0.00 72.50 70.04 1s4m s THR 369 CO 0.50 0.51 -0.18 -0.69 -0.69 0.00 0.00 174.62 174.06 1s4m s VAL 370 N 0.11 1.59 -0.04 3.82 1.01 0.10 -4.97 120.40 122.02 1s4m s VAL 370 Ca -0.09 -0.76 -0.21 0.00 0.00 0.00 0.00 61.98 60.92 1s4m s VAL 370 Cb -0.15 -1.40 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 1s4m s VAL 370 CO 0.05 0.46 0.63 -0.69 0.00 0.00 0.00 175.10 175.54 1s4m s VAL 371 N 0.43 4.99 -0.21 2.92 1.01 -1.26 -1.16 120.40 127.11 1s4m s VAL 371 Ca -0.15 1.30 -0.05 0.00 0.00 0.00 0.00 61.98 63.08 1s4m s VAL 371 Cb -0.16 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 1s4m s VAL 371 CO 0.06 0.34 0.01 -0.76 0.00 0.00 0.00 175.10 174.75 1s4m s LEU 372 N 0.30 3.26 -0.13 3.92 1.43 0.20 -4.92 118.68 122.74 1s4m s LEU 372 Ca 0.33 -0.21 -0.29 0.00 -1.03 0.00 0.00 54.13 52.92 1s4m s LEU 372 Cb -0.18 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 1s4m s LEU 372 CO 0.17 0.04 1.37 -0.62 0.23 0.00 0.00 176.35 177.54 1s4m s ASP 373 N 1.13 6.87 0.24 2.29 3.68 -1.26 -0.75 116.67 128.86 1s4m s ASP 373 Ca 0.03 1.84 -0.05 0.00 2.13 0.00 0.00 52.55 56.50 1s4m s ASP 373 Cb -0.14 -2.54 0.44 0.00 -1.45 0.00 0.00 42.92 39.23 1s4m s ASP 373 CO 0.02 -0.81 1.72 0.15 0.13 0.00 0.00 175.17 176.37 1s4m h PHE 374 N 8.57 0.42 -0.32 -5.34 3.57 -1.91 -0.94 116.94 120.99 1s4m h PHE 374 Ca -0.30 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.21 1s4m h PHE 374 Cb 1.12 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.77 1s4m h PHE 374 CO 0.82 0.02 0.09 0.74 -2.23 0.00 0.00 178.31 177.75 1s4m h PHE 375 N 0.38 0.45 0.39 0.41 -1.00 -1.94 -1.03 116.94 114.59 1s4m h PHE 375 Ca 0.40 -0.02 -0.02 0.00 2.81 0.00 0.00 57.97 61.14 1s4m h PHE 375 Cb 0.62 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 40.05 1s4m h PHE 375 CO -0.20 0.39 -0.19 0.00 -1.61 0.00 0.00 178.31 176.70 1s4m h ARG 376 N 0.45 -0.50 0.00 1.51 -0.00 -1.59 -3.34 114.38 110.91 1s4m h ARG 376 Ca 0.11 0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.62 1s4m h ARG 376 Cb 0.15 0.11 0.00 0.00 0.00 0.00 0.00 29.97 30.23 1s4m h ARG 376 CO -0.01 -0.33 0.00 -0.84 0.00 0.00 0.00 179.97 178.79 1s4m h ILE 377 N -0.72 0.00 0.00 2.04 3.07 -1.29 -2.96 117.51 117.65 1s4m h ILE 377 Ca -0.05 -0.23 -0.04 0.00 1.55 0.00 0.00 64.86 66.08 1s4m h ILE 377 Cb 0.40 1.12 -0.01 0.00 -0.27 0.00 0.00 36.82 38.06 1s4m h ILE 377 CO 0.09 0.00 -0.20 0.07 -1.05 0.00 0.00 178.15 177.06 1s4m h LYS 378 N 0.00 0.00 0.00 0.16 2.10 -1.30 -2.88 116.57 114.64 1s4m h LYS 378 Ca 0.00 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.60 1s4m h LYS 378 Cb 0.25 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.57 1s4m h LYS 378 CO 0.00 0.20 -0.80 -0.44 -2.00 0.00 0.00 179.45 176.41 1s4m h ASP 379 N 0.00 0.00 -4.12 7.07 3.32 -1.68 -1.15 116.42 119.87 1s4m h ASP 379 Ca -0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 1s4m h ASP 379 Cb 0.68 0.00 0.13 0.00 0.22 0.00 0.00 39.33 40.36 1s4m h ASP 379 CO 0.03 0.20 0.47 -0.76 -1.72 0.00 0.00 179.24 177.45 1s4m s LEU 380 N -5.79 3.57 0.69 1.55 1.43 -1.09 -4.40 118.68 114.64 1s4m s LEU 380 Ca 0.01 2.43 -0.11 0.00 -1.03 0.00 0.00 54.13 55.44 1s4m s LEU 380 Cb 0.08 -4.60 0.02 0.00 0.03 0.00 0.00 46.19 41.72 1s4m s LEU 380 CO 0.76 -1.82 1.07 0.42 0.23 0.00 0.00 176.35 177.01 1s4m s THR 381 N -1.64 3.39 0.15 5.49 -4.23 -1.26 0.10 115.64 117.65 1s4m s THR 381 Ca 0.78 0.36 -0.16 0.00 -1.18 0.00 0.00 61.69 61.49 1s4m s THR 381 Cb -0.32 -3.43 0.02 0.00 1.34 0.00 0.00 72.50 70.11 1s4m s THR 381 CO 0.37 -0.55 1.77 -0.65 -0.54 0.00 0.00 174.62 175.02 1s4m h PRO 382 N -0.61 0.33 -0.23 3.99 0.11 -1.92 -1.46 132.00 132.22 1s4m h PRO 382 Ca -0.45 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.69 1s4m h PRO 382 Cb 1.26 -0.07 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 1s4m h PRO 382 CO 0.63 0.22 -0.08 0.93 -0.21 0.00 0.00 178.00 179.49 1s4m h GLU 383 N 0.34 -0.04 -0.63 1.05 3.07 -1.99 -0.75 114.58 115.63 1s4m h GLU 383 Ca 0.16 0.00 0.07 0.00 -0.50 0.00 0.00 59.36 59.09 1s4m h GLU 383 Cb 0.09 0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 27.97 1s4m h GLU 383 CO -0.13 -0.02 0.42 0.78 -1.40 0.00 0.00 179.01 178.65 1s4m h GLY 384 N -0.04 0.76 0.77 -3.84 0.00 -1.79 0.16 103.07 99.09 1s4m h GLY 384 Ca 0.12 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 1s4m h GLY 384 CO -0.26 0.17 -0.00 -2.75 0.00 0.00 0.00 176.54 173.70 1s4m h PHE 385 N 0.59 -0.01 -0.63 5.60 3.57 -0.14 0.11 116.94 126.03 1s4m h PHE 385 Ca 0.28 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.78 1s4m h PHE 385 Cb 0.33 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 1s4m h PHE 385 CO -0.00 0.22 0.40 0.28 -2.23 0.00 0.00 178.31 176.98 1s4m h VAL 386 N -0.23 1.17 -0.81 1.41 2.07 -0.78 -0.03 116.25 119.04 1s4m h VAL 386 Ca -0.00 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 1s4m h VAL 386 Cb 0.23 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 1s4m h VAL 386 CO 0.00 0.17 0.36 -0.33 0.02 0.00 0.00 177.57 177.80 1s4m h GLU 387 N 0.86 1.19 0.00 1.57 5.08 -0.48 0.28 114.58 123.08 1s4m h GLU 387 Ca 0.23 -0.19 -0.11 0.00 -1.00 0.00 0.00 59.36 58.29 1s4m h GLU 387 Cb -0.06 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 28.96 1s4m h GLU 387 CO -0.05 0.93 -0.64 0.00 -1.00 0.00 0.00 179.01 178.25 1s4m h ARG 388 N 1.17 0.00 0.00 2.33 3.08 -0.29 -3.42 114.38 117.26 1s4m h ARG 388 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1s4m h ARG 388 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1s4m h ARG 388 CO -0.03 0.47 -0.16 0.66 -1.07 0.00 0.00 179.97 179.84 1s4m n TYR 389 N -3.17 0.00 -0.95 3.04 4.01 -0.07 -4.86 117.16 115.17 1s4m n TYR 389 Ca 0.00 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.80 1s4m n TYR 389 Cb 0.75 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.85 1s4m n TYR 389 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1s4m n LEU 390 N -0.79 1.75 -4.75 7.72 4.77 0.08 -5.01 117.00 120.77 1s4m n LEU 390 Ca 0.00 -2.30 -0.42 0.00 -0.03 0.00 0.00 56.01 53.26 1s4m n LEU 390 Cb 0.00 -0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 40.85 1s4m n LEU 390 CO 0.00 0.54 1.16 -1.54 -1.33 0.00 0.00 177.39 176.22 1s4m n SER 391 N -0.90 3.71 -0.46 -1.43 3.41 -1.23 -1.20 113.62 115.52 1s4m n SER 391 Ca 0.09 1.19 -0.06 0.00 -0.26 0.00 0.00 58.87 59.82 1s4m n SER 391 Cb 0.55 -1.59 -0.03 0.00 -0.26 0.00 0.00 64.21 62.88 1s4m n SER 391 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s4m n GLY 392 N 1.33 0.74 3.54 5.00 0.00 -1.26 -4.86 105.19 109.68 1s4m n GLY 392 Ca 0.05 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 1s4m n GLY 392 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s4m s VAL 393 N -1.88 5.28 -0.15 1.61 1.01 -0.34 -3.85 120.40 122.08 1s4m s VAL 393 Ca 0.00 -0.12 0.16 0.00 0.00 0.00 0.00 61.98 62.02 1s4m s VAL 393 Cb 0.00 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.73 1s4m s VAL 393 CO 0.00 0.06 1.28 0.77 0.00 0.00 0.00 175.10 177.21 1s4m h SER 394 N 8.46 0.00 -3.90 3.32 4.64 -1.89 -3.43 113.55 120.75 1s4m h SER 394 Ca -0.32 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.79 1s4m h SER 394 Cb 1.17 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.99 1s4m h SER 394 CO 0.61 0.50 -0.63 0.00 -0.87 0.00 0.00 176.83 176.45 1s4m s ALA 395 N -2.96 -0.17 -0.01 5.18 0.00 -1.26 -0.06 121.76 122.47 1s4m s ALA 395 Ca 0.02 0.14 0.05 0.00 0.00 0.00 0.00 51.96 52.17 1s4m s ALA 395 Cb 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 1s4m s ALA 395 CO 0.76 -0.05 -0.16 0.08 0.00 0.00 0.00 175.76 176.39 1s4m s VAL 396 N -0.14 1.24 -0.14 0.00 1.01 0.11 -0.52 120.40 121.96 1s4m s VAL 396 Ca -0.02 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.32 1s4m s VAL 396 Cb -0.02 -1.04 0.01 0.00 0.00 0.00 0.00 36.38 35.34 1s4m s VAL 396 CO 0.00 0.35 -0.20 -0.69 0.00 0.00 0.00 175.10 174.56 1s4m s VAL 397 N -0.32 1.95 0.14 2.92 1.01 0.65 -0.91 120.40 125.83 1s4m s VAL 397 Ca 0.05 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.12 1s4m s VAL 397 Cb -0.07 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1s4m s VAL 397 CO -0.00 0.53 0.07 0.68 0.00 0.00 0.00 175.10 176.37 1s4m s VAL 398 N 0.98 0.11 0.23 2.92 -7.23 -0.57 -2.19 120.40 114.66 1s4m s VAL 398 Ca -0.04 -1.93 -0.02 0.00 -1.81 0.00 0.00 61.98 58.19 1s4m s VAL 398 Cb -0.15 -2.12 0.05 0.00 0.56 0.00 0.00 36.38 34.72 1s4m s VAL 398 CO -0.05 -0.39 0.32 0.61 -0.31 0.00 0.00 175.10 175.28 1s4m n GLY 399 N -0.13 -0.03 3.77 2.32 0.00 -1.26 -0.56 105.19 109.29 1s4m n GLY 399 Ca -0.04 -1.86 -0.33 0.00 0.00 0.00 0.00 46.02 43.79 1s4m n GLY 399 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s4m s ARG 400 N -3.41 2.67 -1.81 1.61 1.81 -1.21 -3.52 118.95 115.09 1s4m s ARG 400 Ca 0.20 1.37 0.00 0.00 -1.72 0.00 0.00 55.73 55.58 1s4m s ARG 400 Cb -0.01 -1.93 0.00 0.00 -0.45 0.00 0.00 34.95 32.56 1s4m s ARG 400 CO 0.13 -1.35 0.00 -0.25 -0.68 0.00 0.00 175.30 173.15 1s4m n ASP 401 N -2.62 -5.38 -4.74 0.23 10.43 -1.26 -4.92 116.55 108.29 1s4m n ASP 401 Ca 0.10 0.21 -0.42 0.00 2.57 0.00 0.00 54.79 57.26 1s4m n ASP 401 Cb 0.52 -4.49 -0.02 0.00 1.84 0.00 0.00 41.12 38.97 1s4m n ASP 401 CO 0.00 0.00 0.00 0.12 -1.07 0.00 0.00 177.20 176.25 1s4m s PHE 402 N -2.83 2.99 0.03 1.24 5.36 -1.23 -4.99 117.98 118.54 1s4m s PHE 402 Ca 0.00 0.84 0.01 0.00 -0.96 0.00 0.00 56.93 56.82 1s4m s PHE 402 Cb 0.00 -3.90 -0.02 0.00 -0.34 0.00 0.00 43.02 38.76 1s4m s PHE 402 CO 0.00 -3.09 -0.05 1.03 -1.46 0.00 0.00 175.22 171.66 1s4m s ARG 403 N 0.13 0.40 0.11 10.12 1.81 -1.26 -4.34 118.95 125.92 1s4m s ARG 403 Ca 0.64 -0.67 -0.25 0.00 -1.72 0.00 0.00 55.73 53.73 1s4m s ARG 403 Cb -0.44 -0.05 0.07 0.00 -0.45 0.00 0.00 34.95 34.09 1s4m s ARG 403 CO 0.40 -0.01 0.65 -0.59 -0.68 0.00 0.00 175.30 175.06 1s4m s PHE 404 N -1.43 -0.53 0.00 -0.53 -0.12 -0.62 -4.99 117.98 109.76 1s4m s PHE 404 Ca -0.14 0.43 0.00 0.00 -0.05 0.00 0.00 56.93 57.18 1s4m s PHE 404 Cb -0.10 0.54 0.00 0.00 -0.63 0.00 0.00 43.02 42.83 1s4m s PHE 404 CO -0.00 -0.78 0.00 0.41 -0.05 0.00 0.00 175.22 174.80 1s4m n GLY 405 N -0.17 -0.84 3.65 1.99 0.00 -1.24 -0.04 105.19 108.53 1s4m n GLY 405 Ca -0.16 -1.69 -0.53 0.00 0.00 0.00 0.00 46.02 43.64 1s4m n GLY 405 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1s4m n LYS 406 N -0.90 1.29 -2.41 1.61 4.81 0.28 -0.77 118.16 122.07 1s4m n LYS 406 Ca 0.00 0.47 -0.14 0.00 -0.87 0.00 0.00 58.31 57.77 1s4m n LYS 406 Cb 0.00 -2.15 -0.01 0.00 0.02 0.00 0.00 35.03 32.89 1s4m n LYS 406 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1s4m n ASN 407 N 3.91 -4.29 -2.26 3.14 5.03 -1.26 -1.85 115.26 117.68 1s4m n ASN 407 Ca 0.22 0.16 -0.16 0.00 0.87 0.00 0.00 54.58 55.66 1s4m n ASN 407 Cb 0.18 -3.63 -0.02 0.00 -1.02 0.00 0.00 39.78 35.29 1s4m n ASN 407 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1s4m n ALA 408 N -2.11 -0.63 0.30 5.41 0.00 0.05 -4.87 120.51 118.67 1s4m n ALA 408 Ca -0.17 0.16 0.15 0.00 0.00 0.00 0.00 53.44 53.58 1s4m n ALA 408 Cb 0.62 -1.81 0.48 0.00 0.00 0.00 0.00 19.45 18.74 1s4m n ALA 408 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1s4m h SER 409 N 0.00 0.00 -3.51 0.00 4.64 -1.41 -3.41 113.55 109.87 1s4m h SER 409 Ca -0.38 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.41 1s4m h SER 409 Cb 1.25 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.31 1s4m h SER 409 CO 0.47 0.00 0.18 -0.83 -0.87 0.00 0.00 176.83 175.78 1s4m s GLY 410 N -4.07 2.90 0.17 -0.77 0.00 0.94 -4.95 107.32 101.54 1s4m s GLY 410 Ca 0.04 0.35 -0.02 0.00 0.00 0.00 0.00 44.72 45.10 1s4m s GLY 410 CO 0.57 0.92 0.25 1.16 0.00 0.00 0.00 173.10 176.00 1s4m n ASN 411 N 1.81 -0.71 -0.02 1.64 0.23 -1.26 -1.58 115.26 115.37 1s4m n ASN 411 Ca -0.05 -1.89 0.01 0.00 -0.53 0.00 0.00 54.58 52.11 1s4m n ASN 411 Cb 0.49 1.29 0.31 0.00 -2.08 0.00 0.00 39.78 39.80 1s4m n ASN 411 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1s4m h ALA 412 N 1.75 1.43 -0.06 -2.53 0.00 -1.97 -2.41 119.26 115.48 1s4m h ALA 412 Ca -0.13 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1s4m h ALA 412 Cb 0.57 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1s4m h ALA 412 CO 0.18 0.41 0.04 0.77 0.00 0.00 0.00 179.25 180.65 1s4m h SER 413 N 0.55 0.06 -0.54 0.00 0.02 -1.96 -1.25 113.55 110.43 1s4m h SER 413 Ca 0.13 -0.01 0.10 0.00 -0.84 0.00 0.00 61.79 61.16 1s4m h SER 413 Cb 0.23 -0.02 -0.08 0.00 0.14 0.00 0.00 62.40 62.67 1s4m h SER 413 CO -0.00 0.06 0.06 0.15 -1.14 0.00 0.00 176.83 175.96 1s4m h PHE 414 N 0.06 0.09 -0.20 3.45 3.57 -1.85 0.16 116.94 122.22 1s4m h PHE 414 Ca 0.02 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.58 1s4m h PHE 414 Cb 0.01 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 1s4m h PHE 414 CO -0.07 -0.07 0.04 -0.07 -2.23 0.00 0.00 178.31 175.91 1s4m h LEU 415 N 0.19 0.01 -0.76 0.59 3.38 -0.96 -2.59 115.31 115.18 1s4m h LEU 415 Ca 0.28 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.31 1s4m h LEU 415 Cb 0.41 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 1s4m h LEU 415 CO -0.40 0.04 0.48 0.03 0.09 0.00 0.00 178.44 178.68 1s4m h ARG 416 N 0.12 0.92 0.00 1.13 3.08 0.03 -0.58 114.38 119.07 1s4m h ARG 416 Ca 0.09 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1s4m h ARG 416 Cb 0.09 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.93 1s4m h ARG 416 CO -0.12 0.61 0.00 0.87 -1.07 0.00 0.00 179.97 180.26 1s4m h LYS 417 N 0.94 0.00 -0.61 0.04 1.57 -0.38 -0.20 116.57 117.95 1s4m h LYS 417 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1s4m h LYS 417 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1s4m h LYS 417 CO -0.11 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.40 1s4m n LYS 418 N -2.41 3.64 0.00 3.15 4.76 -0.28 -4.93 118.16 122.09 1s4m n LYS 418 Ca -0.01 -2.84 0.00 0.00 -2.87 0.00 0.00 58.31 52.59 1s4m n LYS 418 Cb 0.08 -1.85 0.00 0.00 -1.84 0.00 0.00 35.03 31.41 1s4m n LYS 418 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1s4m n GLY 419 N 0.98 2.80 3.66 0.72 0.00 -0.09 -5.05 105.19 108.22 1s4m n GLY 419 Ca 0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 1s4m n GLY 419 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s4m s VAL 420 N -2.53 4.28 0.12 1.61 1.01 -0.88 -4.93 120.40 119.08 1s4m s VAL 420 Ca 0.00 1.54 -0.30 0.00 0.00 0.00 0.00 61.98 63.22 1s4m s VAL 420 Cb 0.00 -4.01 -0.07 0.00 0.00 0.00 0.00 36.38 32.30 1s4m s VAL 420 CO 0.00 -0.16 1.12 -1.61 0.00 0.00 0.00 175.10 174.45 1s4m s GLU 421 N 3.54 4.54 -0.12 2.72 2.02 0.91 -2.85 118.70 129.46 1s4m s GLU 421 Ca 0.55 1.71 -0.00 0.00 0.02 0.00 0.00 54.97 57.25 1s4m s GLU 421 Cb -0.21 -3.31 0.02 0.00 0.10 0.00 0.00 34.13 30.73 1s4m s GLU 421 CO 0.15 -0.05 -0.10 0.08 0.02 0.00 0.00 175.26 175.36 1s4m s VAL 422 N 0.29 1.20 -0.32 2.63 1.01 -1.26 -0.71 120.40 123.24 1s4m s VAL 422 Ca 0.53 -0.41 -0.11 0.00 0.00 0.00 0.00 61.98 61.99 1s4m s VAL 422 Cb -0.29 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 1s4m s VAL 422 CO 0.32 0.40 0.19 -0.31 0.00 0.00 0.00 175.10 175.70 1s4m s TYR 423 N 1.57 3.20 -0.27 5.22 2.02 -0.09 -5.00 117.35 123.99 1s4m s TYR 423 Ca 0.04 -0.47 -0.15 0.00 -0.37 0.00 0.00 57.07 56.12 1s4m s TYR 423 Cb -0.13 -2.40 -0.04 0.00 -0.40 0.00 0.00 41.96 38.99 1s4m s TYR 423 CO -0.08 -0.43 0.37 -1.21 -1.57 0.00 0.00 175.55 172.62 1s4m s GLU 424 N 1.65 4.02 -0.05 -0.62 2.02 -1.25 -1.52 118.70 122.94 1s4m s GLU 424 Ca 0.05 0.03 -0.21 0.00 0.02 0.00 0.00 54.97 54.86 1s4m s GLU 424 Cb -0.17 -3.65 -0.05 0.00 0.10 0.00 0.00 34.13 30.36 1s4m s GLU 424 CO 0.08 -0.27 0.61 0.42 0.02 0.00 0.00 175.26 176.11 1s4m s ILE 425 N 2.05 5.02 0.31 -1.63 -1.09 0.27 -4.93 121.20 121.20 1s4m s ILE 425 Ca 0.15 1.25 -0.29 0.00 -2.23 0.00 0.00 60.65 59.53 1s4m s ILE 425 Cb -0.16 -3.95 -0.10 0.00 -1.58 0.00 0.00 42.46 36.68 1s4m s ILE 425 CO 0.10 0.34 1.29 -0.70 -1.23 0.00 0.00 174.94 174.74 1s4m s GLU 426 N 0.33 4.39 0.59 2.79 2.12 -1.26 -3.29 118.70 124.36 1s4m s GLU 426 Ca 0.32 2.16 -0.19 0.00 0.36 0.00 0.00 54.97 57.62 1s4m s GLU 426 Cb -0.17 -3.10 -0.05 0.00 0.26 0.00 0.00 34.13 31.07 1s4m s GLU 426 CO 0.16 -0.16 1.04 -0.25 -0.54 0.00 0.00 175.26 175.51 1s4m n ASP 427 N 1.13 1.14 -4.73 -1.70 8.00 -1.26 -4.94 116.55 114.19 1s4m n ASP 427 Ca 0.01 0.85 -0.41 0.00 0.71 0.00 0.00 54.79 55.95 1s4m n ASP 427 Cb 0.42 -1.42 -0.05 0.00 -0.02 0.00 0.00 41.12 40.05 1s4m n ASP 427 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1s4m s VAL 428 N -1.46 4.34 -0.20 2.53 1.01 -1.26 -4.90 120.40 120.45 1s4m s VAL 428 Ca 0.75 2.03 -0.07 0.00 0.00 0.00 0.00 61.98 64.69 1s4m s VAL 428 Cb -0.42 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 31.63 1s4m s VAL 428 CO 0.47 0.35 0.05 -0.69 0.00 0.00 0.00 175.10 175.28 1s4m s VAL 429 N -0.28 4.44 -0.16 2.92 1.01 -1.26 -0.20 120.40 126.86 1s4m s VAL 429 Ca 0.46 -0.15 -0.00 0.00 0.00 0.00 0.00 61.98 62.29 1s4m s VAL 429 Cb -0.25 -3.02 0.04 0.00 0.00 0.00 0.00 36.38 33.16 1s4m s VAL 429 CO 0.31 0.42 -0.06 -0.69 0.00 0.00 0.00 175.10 175.08 1s4m s VAL 430 N 0.81 1.18 -1.18 2.92 1.01 0.22 -4.77 120.40 120.59 1s4m s VAL 430 Ca 0.03 -0.64 -0.00 0.00 0.00 0.00 0.00 61.98 61.37 1s4m s VAL 430 Cb -0.14 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 34.93 1s4m s VAL 430 CO 0.02 0.17 0.98 0.00 0.00 0.00 0.00 175.10 176.27 1s4m n GLN 431 N 4.86 -6.51 -1.22 2.72 6.02 -1.26 -1.72 117.38 120.27 1s4m n GLN 431 Ca -0.12 0.83 -0.08 0.00 -0.01 0.00 0.00 57.00 57.62 1s4m n GLN 431 Cb 0.48 -5.80 -0.03 0.00 1.02 0.00 0.00 30.24 25.91 1s4m n GLN 431 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1s4m n GLY 432 N -1.14 0.72 3.32 1.08 0.00 -1.26 -4.95 105.19 102.96 1s4m n GLY 432 Ca -0.28 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 1s4m n GLY 432 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s4m s LYS 433 N -2.64 1.76 -0.13 1.61 -0.14 -0.70 -5.11 119.74 114.39 1s4m s LYS 433 Ca 0.00 -1.04 -0.28 0.00 -1.36 0.00 0.00 55.97 53.29 1s4m s LYS 433 Cb 0.00 -1.89 -0.01 0.00 -1.68 0.00 0.00 37.83 34.25 1s4m s LYS 433 CO 0.00 0.49 0.94 1.03 -0.76 0.00 0.00 175.35 177.05 1s4m s ARG 434 N -1.12 4.37 0.12 1.68 0.52 -1.26 0.71 118.95 123.96 1s4m s ARG 434 Ca 0.11 1.25 -0.31 0.00 -0.52 0.00 0.00 55.73 56.25 1s4m s ARG 434 Cb -0.10 -3.56 -0.09 0.00 0.52 0.00 0.00 34.95 31.73 1s4m s ARG 434 CO 0.02 -0.33 1.56 0.08 0.02 0.00 0.00 175.30 176.65 1s4m s VAL 435 N 2.10 2.92 0.14 3.52 1.01 0.73 -4.89 120.40 125.92 1s4m s VAL 435 Ca 0.44 0.57 -0.19 0.00 0.00 0.00 0.00 61.98 62.80 1s4m s VAL 435 Cb -0.17 -3.36 0.05 0.00 0.00 0.00 0.00 36.38 32.89 1s4m s VAL 435 CO 0.15 0.03 0.49 -0.94 0.00 0.00 0.00 175.10 174.83 1s4m s SER 436 N 1.59 -0.36 0.25 3.32 1.04 -1.26 -4.63 113.70 113.65 1s4m s SER 436 Ca 0.70 -0.21 -0.05 0.00 0.48 0.00 0.00 55.95 56.87 1s4m s SER 436 Cb -0.41 0.53 0.32 0.00 0.10 0.00 0.00 66.02 66.56 1s4m s SER 436 CO 0.31 -0.91 1.89 0.28 0.98 0.00 0.00 173.24 175.79 1s4m h SER 437 N 2.21 1.01 -0.35 7.02 0.02 -1.95 -2.15 113.55 119.37 1s4m h SER 437 Ca -0.34 -0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.65 1s4m h SER 437 Cb 1.28 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 63.56 1s4m h SER 437 CO 0.43 0.68 0.13 0.28 -1.14 0.00 0.00 176.83 177.22 1s4m h SER 438 N 1.17 0.16 -0.42 3.07 0.02 -1.96 0.18 113.55 115.79 1s4m h SER 438 Ca 0.38 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.37 1s4m h SER 438 Cb 0.04 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1s4m h SER 438 CO -0.13 0.13 0.27 0.25 -1.14 0.00 0.00 176.83 176.21 1s4m h LEU 439 N 0.29 0.47 -0.67 5.07 6.46 -1.79 -1.89 115.31 123.25 1s4m h LEU 439 Ca 0.15 -0.01 -0.10 0.00 -0.12 0.00 0.00 57.88 57.81 1s4m h LEU 439 Cb 0.11 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 39.91 1s4m h LEU 439 CO -0.14 0.34 -0.02 0.40 -0.62 0.00 0.00 178.44 178.39 1s4m h ILE 440 N 0.56 1.26 -0.14 4.05 2.04 -0.98 -1.01 117.51 123.29 1s4m h ILE 440 Ca 0.15 -1.16 -0.03 0.00 1.00 0.00 0.00 64.86 64.83 1s4m h ILE 440 Cb -0.06 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1s4m h ILE 440 CO -0.04 0.42 -0.05 0.03 0.00 0.00 0.00 178.15 178.51 1s4m h ARG 441 N 0.92 0.20 -0.11 2.37 3.08 -0.40 -1.24 114.38 119.20 1s4m h ARG 441 Ca 0.16 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 1s4m h ARG 441 Cb 0.57 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.58 1s4m h ARG 441 CO 0.03 0.27 -0.06 -0.97 -1.07 0.00 0.00 179.97 178.17 1s4m h ASN 442 N 0.20 0.25 -0.57 7.04 -0.73 -0.68 -1.47 115.58 119.62 1s4m h ASN 442 Ca 0.05 -0.42 0.08 0.00 1.87 0.00 0.00 56.30 57.87 1s4m h ASN 442 Cb 0.22 -0.07 -0.06 0.00 0.27 0.00 0.00 38.32 38.68 1s4m h ASN 442 CO 0.01 0.62 0.23 -0.07 -0.37 0.00 0.00 177.43 177.85 1s4m h LEU 443 N -0.12 0.26 -0.15 0.34 3.38 -0.40 -1.17 115.31 117.45 1s4m h LEU 443 Ca 0.02 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1s4m h LEU 443 Cb 0.53 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1s4m h LEU 443 CO 0.02 0.17 0.03 0.58 0.09 0.00 0.00 178.44 179.33 1s4m h VAL 444 N 0.43 0.94 0.00 1.22 2.07 -1.16 -0.05 116.25 119.70 1s4m h VAL 444 Ca 0.28 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.74 1s4m h VAL 444 Cb 0.30 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1s4m h VAL 444 CO -0.26 0.02 -0.10 1.56 0.02 0.00 0.00 177.57 178.81 1s4m h GLN 445 N 0.10 0.00 -0.01 1.57 4.20 -0.60 0.18 115.11 120.55 1s4m h GLN 445 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1s4m h GLN 445 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1s4m h GLN 445 CO -0.08 0.10 -0.14 0.39 -0.67 0.00 0.00 178.83 178.42 1s4m n GLU 446 N -3.92 1.38 -1.14 1.46 1.02 -0.50 -3.41 120.64 115.53 1s4m n GLU 446 Ca -0.02 -0.88 -0.05 0.00 -0.02 0.00 0.00 57.16 56.19 1s4m n GLU 446 Cb 0.19 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.11 1s4m n GLU 446 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s4m n GLY 447 N 1.28 0.72 2.31 0.62 0.00 -0.00 -4.84 105.19 105.27 1s4m n GLY 447 Ca 0.15 -0.39 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 1s4m n GLY 447 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s4m n ARG 448 N -2.22 3.09 0.28 1.61 1.74 -0.19 -4.49 116.66 116.49 1s4m n ARG 448 Ca -0.05 -2.18 0.14 0.00 -0.77 0.00 0.00 57.85 54.99 1s4m n ARG 448 Cb 0.24 -2.37 0.85 0.00 -1.02 0.00 0.00 32.46 30.16 1s4m n ARG 448 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 1s4m h VAL 449 N 2.37 0.55 0.00 1.55 -1.51 -1.90 -1.89 116.25 115.42 1s4m h VAL 449 Ca 0.52 -0.19 -0.03 0.00 -1.23 0.00 0.00 66.70 65.77 1s4m h VAL 449 Cb 0.75 1.12 -0.00 0.00 -2.13 0.00 0.00 31.29 31.03 1s4m h VAL 449 CO 1.04 0.04 -0.13 -0.33 -1.23 0.00 0.00 177.57 176.96 1s4m h GLU 450 N 0.00 0.00 0.00 5.19 5.08 -1.82 -2.98 114.58 120.04 1s4m h GLU 450 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1s4m h GLU 450 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1s4m h GLU 450 CO 0.01 0.13 -0.60 0.93 -1.00 0.00 0.00 179.01 178.48 1s4m h GLU 451 N 0.00 0.00 -0.57 2.33 5.08 -1.70 -3.40 114.58 116.31 1s4m h GLU 451 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1s4m h GLU 451 Cb 0.76 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.98 1s4m h GLU 451 CO 0.02 0.00 0.28 0.82 -1.00 0.00 0.00 179.01 179.13 1s4m h ILE 452 N 0.00 1.20 -1.01 3.13 2.04 -1.51 -3.20 117.51 118.16 1s4m h ILE 452 Ca 0.00 -0.57 0.25 0.00 1.00 0.00 0.00 64.86 65.53 1s4m h ILE 452 Cb 0.79 0.53 -0.10 0.00 -0.74 0.00 0.00 36.82 37.30 1s4m h ILE 452 CO 0.00 0.23 0.64 -0.65 0.00 0.00 0.00 178.15 178.38 1s4m h PRO 453 N 0.78 0.45 -0.12 2.37 0.11 -1.75 0.21 132.00 134.04 1s4m h PRO 453 Ca 0.20 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.31 1s4m h PRO 453 Cb 0.11 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 1s4m h PRO 453 CO -0.03 0.30 0.12 0.00 -0.21 0.00 0.00 178.00 178.18 1s4m h ALA 454 N 1.63 1.82 0.00 -0.75 0.00 -1.86 0.94 119.26 121.04 1s4m h ALA 454 Ca 0.58 -0.00 -0.37 0.00 0.00 0.00 0.00 54.91 55.12 1s4m h ALA 454 Cb 1.35 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.10 1s4m h ALA 454 CO -0.31 -0.18 -2.22 0.66 0.00 0.00 0.00 179.25 177.20 1s4m n TYR 455 N -4.01 0.00 0.15 0.00 4.01 0.50 -4.61 117.16 113.21 1s4m n TYR 455 Ca -0.00 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.75 1s4m n TYR 455 Cb 0.23 -0.79 0.20 0.00 -0.31 0.00 0.00 39.34 38.67 1s4m n TYR 455 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1s4m h LEU 456 N -0.79 0.00 0.00 7.72 5.85 -0.99 -2.46 115.31 124.65 1s4m h LEU 456 Ca -0.56 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.16 1s4m h LEU 456 Cb 1.49 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.52 1s4m h LEU 456 CO -0.34 0.54 0.00 0.61 -0.34 0.00 0.00 178.44 178.92 1s4m n GLY 457 N 0.44 0.72 3.84 3.75 0.00 0.32 -3.81 105.19 110.46 1s4m n GLY 457 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 1s4m n GLY 457 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1s4m s ARG 458 N -0.64 1.50 0.53 1.61 1.70 -1.24 -4.98 118.95 117.44 1s4m s ARG 458 Ca 0.00 -0.94 -0.18 0.00 -0.47 0.00 0.00 55.73 54.14 1s4m s ARG 458 Cb 0.00 0.44 -0.06 0.00 -0.57 0.00 0.00 34.95 34.75 1s4m s ARG 458 CO 0.00 -0.70 1.05 0.71 -1.08 0.00 0.00 175.30 175.28 1s4m s TYR 459 N -2.48 2.97 0.36 5.89 2.02 -1.26 -3.13 117.35 121.72 1s4m s TYR 459 Ca 0.18 1.55 -0.28 0.00 -0.37 0.00 0.00 57.07 58.15 1s4m s TYR 459 Cb -0.03 -3.06 -0.10 0.00 -0.40 0.00 0.00 41.96 38.37 1s4m s TYR 459 CO 0.06 -0.99 1.35 0.12 -1.57 0.00 0.00 175.55 174.52 1s4m s PHE 460 N -2.15 2.86 0.02 2.71 5.36 -1.26 -4.80 117.98 120.73 1s4m s PHE 460 Ca 0.66 1.35 0.09 0.00 -0.96 0.00 0.00 56.93 58.07 1s4m s PHE 460 Cb -0.17 -3.77 -0.03 0.00 -0.34 0.00 0.00 43.02 38.72 1s4m s PHE 460 CO 0.27 -2.22 -0.25 -1.21 -1.46 0.00 0.00 175.22 170.35 1s4m s GLU 461 N -1.99 1.82 -0.12 10.12 2.02 -1.26 -0.62 118.70 128.67 1s4m s GLU 461 Ca 0.52 -1.02 -0.00 0.00 0.02 0.00 0.00 54.97 54.48 1s4m s GLU 461 Cb -0.41 -1.92 -0.02 0.00 0.10 0.00 0.00 34.13 31.88 1s4m s GLU 461 CO 0.55 0.51 -0.12 0.42 0.02 0.00 0.00 175.26 176.63 1s4m s ILE 462 N -0.73 3.14 0.03 -1.63 -1.09 -0.29 -4.94 121.20 115.68 1s4m s ILE 462 Ca 0.11 -0.63 -0.02 0.00 -2.23 0.00 0.00 60.65 57.87 1s4m s ILE 462 Cb -0.10 -2.32 -0.02 0.00 -1.58 0.00 0.00 42.46 38.44 1s4m s ILE 462 CO 0.01 0.53 0.02 -0.70 -1.23 0.00 0.00 174.94 173.56 1s4m s GLU 463 N 0.25 0.49 0.00 2.79 -6.30 -1.26 -0.33 118.70 114.34 1s4m s GLU 463 Ca -0.08 -0.82 0.00 0.00 -2.50 0.00 0.00 54.97 51.57 1s4m s GLU 463 Cb -0.15 0.18 0.00 0.00 0.00 0.00 0.00 34.13 34.16 1s4m s GLU 463 CO 0.05 -0.10 0.00 0.41 0.02 0.00 0.00 175.26 175.64 1s4m n GLY 464 N 0.91 -1.55 3.88 -1.50 0.00 -0.94 -4.17 105.19 101.82 1s4m n GLY 464 Ca -0.20 -1.09 -0.33 0.00 0.00 0.00 0.00 46.02 44.40 1s4m n GLY 464 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s4m s ILE 465 N -2.76 5.08 0.14 -0.61 -1.09 -0.49 -1.61 121.20 119.87 1s4m s ILE 465 Ca 0.00 0.30 -0.29 0.00 -2.23 0.00 0.00 60.65 58.44 1s4m s ILE 465 Cb 0.00 -3.63 -0.07 0.00 -1.58 0.00 0.00 42.46 37.18 1s4m s ILE 465 CO 0.00 0.10 0.90 -0.69 -1.23 0.00 0.00 174.94 174.03 1s4m s VAL 466 N -1.60 4.40 0.00 2.92 1.01 -0.49 -0.03 120.40 126.61 1s4m s VAL 466 Ca 0.40 1.96 0.00 0.00 0.00 0.00 0.00 61.98 64.34 1s4m s VAL 466 Cb -0.13 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 31.98 1s4m s VAL 466 CO 0.21 0.40 0.00 1.57 0.00 0.00 0.00 175.10 177.29 1s4m n HIS 467 N 2.27 0.00 -0.30 5.22 -0.00 0.26 -2.79 115.22 119.88 1s4m n HIS 467 Ca -0.01 0.00 0.27 0.00 -0.00 0.00 0.00 57.72 57.98 1s4m n HIS 467 Cb 0.49 -0.67 0.46 0.00 -0.00 0.00 0.00 29.99 30.27 1s4m n HIS 467 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 1s4m n LYS 468 N 0.52 -0.03 0.00 1.57 4.81 -1.26 -4.71 118.16 119.06 1s4m n LYS 468 Ca 0.00 0.92 0.00 0.00 -0.87 0.00 0.00 58.31 58.36 1s4m n LYS 468 Cb 0.00 -1.76 0.00 0.00 0.02 0.00 0.00 35.03 33.29 1s4m n LYS 468 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1s4m n PHE 478 N -4.28 0.00 -1.51 5.64 3.01 -1.26 -5.06 117.46 113.99 1s4m n PHE 478 Ca 0.28 0.00 -0.61 0.00 1.01 0.00 0.00 57.45 58.14 1s4m n PHE 478 Cb 1.05 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 40.42 1s4m n PHE 478 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1s4m n PRO 479 N 0.00 0.37 -4.38 -1.08 -0.02 -1.26 -4.98 135.00 123.65 1s4m n PRO 479 Ca 0.00 0.12 -0.21 0.00 -2.02 0.00 0.00 63.50 61.40 1s4m n PRO 479 Cb 0.00 -1.75 -0.10 0.00 -0.02 0.00 0.00 33.50 31.62 1s4m n PRO 479 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1s4m s THR 480 N 4.86 1.98 -0.19 3.45 -4.23 -1.26 -4.52 115.64 115.73 1s4m s THR 480 Ca 1.10 -2.24 -0.07 0.00 -1.18 0.00 0.00 61.69 59.31 1s4m s THR 480 Cb -1.33 -2.10 -0.04 0.00 1.34 0.00 0.00 72.50 70.38 1s4m s THR 480 CO 0.68 -0.50 0.04 0.00 -0.54 0.00 0.00 174.62 174.31 1s4m s ALA 481 N -2.71 3.27 -0.10 3.99 0.00 0.14 -4.87 121.76 121.49 1s4m s ALA 481 Ca 0.24 -0.83 -0.21 0.00 0.00 0.00 0.00 51.96 51.16 1s4m s ALA 481 Cb -0.03 -1.87 -0.04 0.00 0.00 0.00 0.00 23.12 21.19 1s4m s ALA 481 CO 0.09 0.07 0.62 1.21 0.00 0.00 0.00 175.76 177.75 1s4m s ASN 482 N 0.59 6.85 -0.22 0.00 3.04 -1.26 0.28 114.94 124.22 1s4m s ASN 482 Ca 0.02 1.02 -0.09 0.00 0.04 0.00 0.00 52.86 53.85 1s4m s ASN 482 Cb -0.13 -2.36 -0.04 0.00 -1.54 0.00 0.00 41.25 37.17 1s4m s ASN 482 CO 0.02 -0.09 0.11 -0.63 -3.04 0.00 0.00 177.10 173.47 1s4m s ILE 483 N 0.85 5.02 -0.40 -5.21 -1.09 0.91 0.90 121.20 122.18 1s4m s ILE 483 Ca 0.33 0.06 -0.15 0.00 -2.23 0.00 0.00 60.65 58.65 1s4m s ILE 483 Cb -0.17 -3.32 0.02 0.00 -1.58 0.00 0.00 42.46 37.41 1s4m s ILE 483 CO 0.15 0.39 0.33 -0.62 -1.23 0.00 0.00 174.94 173.95 1s4m s ASP 484 N 0.87 6.13 0.00 3.58 3.68 0.96 -4.36 116.67 127.53 1s4m s ASP 484 Ca 0.06 -0.79 0.28 0.00 2.13 0.00 0.00 52.55 54.22 1s4m s ASP 484 Cb -0.13 -2.17 1.65 0.00 -1.45 0.00 0.00 42.92 40.81 1s4m s ASP 484 CO 0.03 -0.46 2.00 0.54 0.13 0.00 0.00 175.17 177.41 1s4m n ARG 485 N 5.26 0.85 0.00 4.34 1.74 -1.26 -1.40 116.66 126.19 1s4m n ARG 485 Ca -0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 1s4m n ARG 485 Cb 0.47 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 1s4m n ARG 485 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s4m n GLY 486 N 0.75 -1.16 0.46 -0.13 0.00 -1.26 -4.73 105.19 99.12 1s4m n GLY 486 Ca 0.21 -2.12 0.06 0.00 0.00 0.00 0.00 46.02 44.16 1s4m n GLY 486 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s4m n ASN 487 N 0.00 1.92 -4.76 1.61 3.02 -1.26 -4.99 115.26 110.80 1s4m n ASN 487 Ca 0.00 -1.46 -0.30 0.00 -0.03 0.00 0.00 54.58 52.79 1s4m n ASN 487 Cb 0.00 0.07 0.11 0.00 -0.61 0.00 0.00 39.78 39.34 1s4m n ASN 487 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1s4m s GLU 488 N -1.09 1.86 -0.54 3.52 2.12 -1.26 -4.94 118.70 118.37 1s4m s GLU 488 Ca 0.14 0.93 -0.23 0.00 0.36 0.00 0.00 54.97 56.17 1s4m s GLU 488 Cb 0.10 -1.87 0.04 0.00 0.26 0.00 0.00 34.13 32.67 1s4m s GLU 488 CO 0.17 -1.85 0.89 0.21 -0.54 0.00 0.00 175.26 174.14 1s4m s LYS 489 N -4.96 3.30 0.01 4.30 2.20 -1.26 -5.02 119.74 118.31 1s4m s LYS 489 Ca 0.62 -0.36 0.04 0.00 -0.36 0.00 0.00 55.97 55.91 1s4m s LYS 489 Cb -0.17 -4.06 -0.03 0.00 -1.51 0.00 0.00 37.83 32.06 1s4m s LYS 489 CO 0.56 -1.44 -0.11 -0.51 -0.36 0.00 0.00 175.35 173.49 1s4m s LEU 490 N 3.73 2.97 0.31 5.43 1.43 -1.26 -0.11 118.68 131.18 1s4m s LEU 490 Ca 0.28 -0.24 -0.29 0.00 -1.03 0.00 0.00 54.13 52.85 1s4m s LEU 490 Cb -0.14 -1.71 -0.11 0.00 0.03 0.00 0.00 46.19 44.27 1s4m s LEU 490 CO 0.18 0.28 1.51 0.54 0.23 0.00 0.00 176.35 179.09 1s4m s VAL 491 N -0.96 2.24 -0.03 -1.59 0.11 0.26 -4.68 120.40 115.76 1s4m s VAL 491 Ca 0.16 0.22 -0.07 0.00 -2.93 0.00 0.00 61.98 59.36 1s4m s VAL 491 Cb -0.11 -3.14 -0.05 0.00 -1.53 0.00 0.00 36.38 31.56 1s4m s VAL 491 CO 0.06 0.04 0.23 -1.81 -3.33 0.00 0.00 175.10 170.30 1s4m s ASP 492 N 0.20 6.48 0.72 3.54 1.01 -1.26 -4.98 116.67 122.38 1s4m s ASP 492 Ca 0.58 0.54 -0.12 0.00 0.71 0.00 0.00 52.55 54.26 1s4m s ASP 492 Cb -0.45 -2.09 0.03 0.00 1.01 0.00 0.00 42.92 41.42 1s4m s ASP 492 CO 0.52 0.30 1.10 -0.76 0.21 0.00 0.00 175.17 176.54 1s4m s LEU 493 N -1.52 3.19 0.43 1.23 1.43 -1.26 -3.89 118.68 118.28 1s4m s LEU 493 Ca 0.24 1.88 -0.26 0.00 -1.03 0.00 0.00 54.13 54.96 1s4m s LEU 493 Cb -0.13 -4.53 -0.09 0.00 0.03 0.00 0.00 46.19 41.47 1s4m s LEU 493 CO 0.13 -1.82 1.44 -0.75 0.23 0.00 0.00 176.35 175.59 1s4m s LYS 494 N -4.56 3.83 0.35 1.70 2.20 -0.86 -4.87 119.74 117.53 1s4m s LYS 494 Ca 0.63 2.47 -0.28 0.00 -0.36 0.00 0.00 55.97 58.43 1s4m s LYS 494 Cb -0.18 -2.76 -0.12 0.00 -1.51 0.00 0.00 37.83 33.26 1s4m s LYS 494 CO 0.50 -0.72 1.41 0.54 -0.36 0.00 0.00 175.35 176.72 1s4m n ARG 495 N 0.03 2.42 -2.37 4.03 1.74 -1.26 -4.83 116.66 116.42 1s4m n ARG 495 Ca 0.04 0.85 0.00 0.00 -0.77 0.00 0.00 57.85 57.97 1s4m n ARG 495 Cb 0.41 -2.52 0.00 0.00 -1.02 0.00 0.00 32.46 29.33 1s4m n ARG 495 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s4m n GLY 496 N 0.79 -0.15 3.31 -0.13 0.00 0.21 -4.04 105.19 105.18 1s4m n GLY 496 Ca 0.04 -1.47 -0.34 0.00 0.00 0.00 0.00 46.02 44.25 1s4m n GLY 496 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s4m s VAL 497 N -2.80 3.00 0.08 1.61 1.01 0.18 0.92 120.40 124.39 1s4m s VAL 497 Ca 0.00 -0.65 0.10 0.00 0.00 0.00 0.00 61.98 61.43 1s4m s VAL 497 Cb 0.00 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 1s4m s VAL 497 CO 0.00 0.49 -0.26 -0.31 0.00 0.00 0.00 175.10 175.02 1s4m s TYR 498 N 0.89 2.32 -0.09 5.22 2.02 0.13 -0.19 117.35 127.65 1s4m s TYR 498 Ca -0.03 -0.40 -0.26 0.00 -0.37 0.00 0.00 57.07 56.02 1s4m s TYR 498 Cb -0.15 -1.34 -0.03 0.00 -0.40 0.00 0.00 41.96 40.05 1s4m s TYR 498 CO -0.00 0.21 0.82 -1.17 -1.57 0.00 0.00 175.55 173.84 1s4m s LEU 499 N -1.55 4.27 0.15 -1.29 2.96 0.00 -0.96 118.68 122.26 1s4m s LEU 499 Ca 0.13 1.30 0.04 0.00 -0.22 0.00 0.00 54.13 55.38 1s4m s LEU 499 Cb -0.10 -3.26 -0.04 0.00 0.50 0.00 0.00 46.19 43.28 1s4m s LEU 499 CO 0.04 -0.27 -0.09 0.68 -1.32 0.00 0.00 176.35 175.39 1s4m s VAL 500 N 1.41 1.13 -0.18 1.68 -7.23 -0.58 -0.23 120.40 116.40 1s4m s VAL 500 Ca 0.41 -2.05 -0.02 0.00 -1.81 0.00 0.00 61.98 58.51 1s4m s VAL 500 Cb -0.18 -1.88 -0.01 0.00 0.56 0.00 0.00 36.38 34.87 1s4m s VAL 500 CO 0.18 -0.72 -0.08 -0.60 -0.31 0.00 0.00 175.10 173.57 1s4m s ARG 501 N -3.76 3.37 -0.26 4.82 6.06 -0.64 0.15 118.95 128.69 1s4m s ARG 501 Ca 0.17 -0.65 -0.10 0.00 -2.50 0.00 0.00 55.73 52.65 1s4m s ARG 501 Cb 0.03 -2.85 -0.05 0.00 0.06 0.00 0.00 34.95 32.14 1s4m s ARG 501 CO 0.01 -0.04 0.15 0.08 -2.50 0.00 0.00 175.30 173.00 1s4m s VAL 502 N 1.03 5.11 -0.46 7.11 1.01 0.46 -1.04 120.40 133.63 1s4m s VAL 502 Ca -0.00 0.10 -0.19 0.00 0.00 0.00 0.00 61.98 61.89 1s4m s VAL 502 Cb -0.15 -3.41 0.03 0.00 0.00 0.00 0.00 36.38 32.86 1s4m s VAL 502 CO -0.01 0.30 0.57 -2.28 0.00 0.00 0.00 175.10 173.69 1s4m s HIS 503 N 1.46 3.09 0.60 5.22 2.46 0.28 -0.99 115.29 127.42 1s4m s HIS 503 Ca 0.07 -0.32 -0.08 0.00 0.47 0.00 0.00 55.06 55.20 1s4m s HIS 503 Cb -0.15 -3.27 -0.00 0.00 -0.13 0.00 0.00 32.58 29.03 1s4m s HIS 503 CO 0.07 -0.87 0.94 -0.51 -2.47 0.00 0.00 174.74 171.90 1s4m s LEU 504 N 2.54 3.23 0.03 8.88 1.43 0.84 -2.63 118.68 133.00 1s4m s LEU 504 Ca 0.17 0.95 -0.11 0.00 -1.03 0.00 0.00 54.13 54.10 1s4m s LEU 504 Cb -0.17 -3.82 -0.05 0.00 0.03 0.00 0.00 46.19 42.19 1s4m s LEU 504 CO 0.15 -1.01 1.18 -0.65 0.23 0.00 0.00 176.35 176.25 1s4m h PRO 505 N -0.23 -0.24 -0.56 1.29 0.11 -1.86 -2.99 132.00 127.53 1s4m h PRO 505 Ca -0.45 0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.77 1s4m h PRO 505 Cb 1.24 0.05 -0.11 0.00 0.11 0.00 0.00 31.00 32.29 1s4m h PRO 505 CO 0.62 -0.16 -0.33 0.38 -0.21 0.00 0.00 178.00 178.30 1s4m h ASP 506 N -0.25 -1.13 0.00 -2.05 -0.00 -1.96 -3.44 116.42 107.58 1s4m h ASP 506 Ca -0.00 0.22 0.00 0.00 -0.00 0.00 0.00 57.03 57.25 1s4m h ASP 506 Cb 0.25 0.56 0.00 0.00 -0.00 0.00 0.00 39.33 40.14 1s4m h ASP 506 CO -0.10 -0.30 0.00 0.61 -0.00 0.00 0.00 179.24 179.45 1s4m n GLY 507 N -1.43 -0.32 3.77 7.15 0.00 -1.13 -5.14 105.19 108.09 1s4m n GLY 507 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1s4m n GLY 507 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s4m s LYS 508 N 0.00 3.63 -0.11 1.61 1.02 -1.26 -4.77 119.74 119.87 1s4m s LYS 508 Ca 0.00 1.80 0.02 0.00 0.02 0.00 0.00 55.97 57.81 1s4m s LYS 508 Cb 0.00 -2.33 -0.01 0.00 -0.52 0.00 0.00 37.83 34.97 1s4m s LYS 508 CO 0.00 -0.66 -0.19 0.15 -0.92 0.00 0.00 175.35 173.72 1s4m s LYS 509 N -2.80 3.14 0.06 1.68 -0.14 -1.26 -0.11 119.74 120.31 1s4m s LYS 509 Ca 0.66 -0.80 0.01 0.00 -1.36 0.00 0.00 55.97 54.47 1s4m s LYS 509 Cb -0.29 -2.43 -0.03 0.00 -1.68 0.00 0.00 37.83 33.40 1s4m s LYS 509 CO 0.35 0.22 -0.05 0.15 -0.76 0.00 0.00 175.35 175.26 1s4m s LYS 510 N 0.29 0.61 0.38 1.68 -0.14 -0.16 -4.96 119.74 117.44 1s4m s LYS 510 Ca -0.14 -1.06 -0.05 0.00 -1.36 0.00 0.00 55.97 53.36 1s4m s LYS 510 Cb -0.17 -0.04 -0.05 0.00 -1.68 0.00 0.00 37.83 35.90 1s4m s LYS 510 CO 0.07 -0.04 0.66 -0.06 -0.76 0.00 0.00 175.35 175.23 1s4m s PHE 511 N -2.91 3.51 0.25 3.18 0.08 -1.26 0.17 117.98 121.00 1s4m s PHE 511 Ca 0.01 0.71 -0.11 0.00 0.12 0.00 0.00 56.93 57.67 1s4m s PHE 511 Cb 0.01 -2.19 -0.01 0.00 -0.57 0.00 0.00 43.02 40.26 1s4m s PHE 511 CO -0.05 -0.03 0.45 0.20 -0.10 0.00 0.00 175.22 175.70 1s4m s GLY 512 N -3.61 0.67 -0.23 4.36 0.00 0.12 -1.59 107.32 107.04 1s4m s GLY 512 Ca 0.46 -0.99 0.01 0.00 0.00 0.00 0.00 44.72 44.20 1s4m s GLY 512 CO 0.36 -0.72 -0.09 0.14 0.00 0.00 0.00 173.10 172.80 1s4m s VAL 513 N -3.95 1.73 -0.14 1.40 1.01 -0.32 -1.53 120.40 118.60 1s4m s VAL 513 Ca 0.24 -1.25 -0.07 0.00 0.00 0.00 0.00 61.98 60.90 1s4m s VAL 513 Cb 0.00 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 1s4m s VAL 513 CO 0.10 0.01 0.10 -0.32 0.00 0.00 0.00 175.10 174.99 1s4m s MET 514 N 1.32 3.60 -0.10 2.72 0.00 -0.13 -0.58 119.30 126.14 1s4m s MET 514 Ca -0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 55.69 55.38 1s4m s MET 514 Cb -0.18 -3.16 -0.03 0.00 0.00 0.00 0.00 34.83 31.45 1s4m s MET 514 CO -0.07 0.57 -0.02 1.21 0.00 0.00 0.00 175.02 176.72 1s4m s ASN 515 N -0.46 5.04 -0.18 1.11 3.84 0.09 0.22 114.94 124.60 1s4m s ASN 515 Ca 0.11 0.05 0.01 0.00 0.21 0.00 0.00 52.86 53.24 1s4m s ASN 515 Cb -0.12 -1.50 0.02 0.00 -0.55 0.00 0.00 41.25 39.11 1s4m s ASN 515 CO 0.02 0.32 -0.18 -0.69 -2.79 0.00 0.00 177.10 173.78 1s4m s VAL 516 N -0.55 1.93 0.00 -5.21 1.01 0.26 -1.78 120.40 116.06 1s4m s VAL 516 Ca 0.09 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1s4m s VAL 516 Cb -0.12 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.47 1s4m s VAL 516 CO 0.02 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1s4m n GLY 517 N 4.65 1.68 3.29 4.51 0.00 -1.15 0.66 105.19 118.83 1s4m n GLY 517 Ca -0.19 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1s4m n GLY 517 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1s4m n PHE 518 N 0.00 0.00 -0.69 1.61 -0.00 -1.26 -1.84 117.46 115.28 1s4m n PHE 518 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.32 1s4m n PHE 518 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 39.48 39.49 1s4m n PHE 518 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 1s4m n ASN 527 N 3.04 -1.96 -4.70 -2.13 2.04 -1.26 -4.94 115.26 105.36 1s4m n ASN 527 Ca 0.00 0.00 -0.42 0.00 -0.44 0.00 0.00 54.58 53.72 1s4m n ASN 527 Cb 0.00 -0.40 -0.03 0.00 -2.53 0.00 0.00 39.78 36.82 1s4m n ASN 527 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1s4m s VAL 528 N -1.61 4.76 -0.08 3.53 1.01 -1.26 -5.04 120.40 121.70 1s4m s VAL 528 Ca 0.12 2.00 -0.05 0.00 0.00 0.00 0.00 61.98 64.05 1s4m s VAL 528 Cb 0.04 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 1s4m s VAL 528 CO 0.23 0.09 0.13 -0.75 0.00 0.00 0.00 175.10 174.80 1s4m s LYS 529 N 1.47 3.37 -0.21 2.72 2.20 -0.77 -4.97 119.74 123.56 1s4m s LYS 529 Ca 0.51 -0.23 -0.00 0.00 -0.36 0.00 0.00 55.97 55.89 1s4m s LYS 529 Cb -0.21 -3.11 0.02 0.00 -1.51 0.00 0.00 37.83 33.03 1s4m s LYS 529 CO 0.24 0.74 -0.13 0.71 -0.36 0.00 0.00 175.35 176.54 1s4m s TYR 530 N -1.10 2.92 -0.11 4.03 2.02 -1.26 -2.93 117.35 120.91 1s4m s TYR 530 Ca 0.18 -1.56 0.02 0.00 -0.37 0.00 0.00 57.07 55.35 1s4m s TYR 530 Cb -0.12 -1.99 0.01 0.00 -0.40 0.00 0.00 41.96 39.47 1s4m s TYR 530 CO 0.08 -0.75 -0.16 -1.21 -1.57 0.00 0.00 175.55 171.95 1s4m s GLU 531 N 1.32 2.28 -0.07 -0.62 2.02 -0.73 -0.06 118.70 122.83 1s4m s GLU 531 Ca 0.03 -0.58 0.02 0.00 0.02 0.00 0.00 54.97 54.46 1s4m s GLU 531 Cb -0.15 -1.94 -0.02 0.00 0.10 0.00 0.00 34.13 32.12 1s4m s GLU 531 CO -0.09 -0.07 -0.13 0.54 0.02 0.00 0.00 175.26 175.54 1s4m s VAL 532 N 1.00 3.20 -0.45 2.63 0.11 0.14 -0.73 120.40 126.30 1s4m s VAL 532 Ca -0.06 -0.66 -0.14 0.00 -2.93 0.00 0.00 61.98 58.19 1s4m s VAL 532 Cb -0.15 -2.28 0.07 0.00 -1.53 0.00 0.00 36.38 32.49 1s4m s VAL 532 CO -0.02 0.58 0.35 -0.47 -3.33 0.00 0.00 175.10 172.21 1s4m s TYR 533 N -0.55 3.26 0.05 1.54 5.04 0.26 0.28 117.35 127.22 1s4m s TYR 533 Ca 0.08 -0.99 -0.30 0.00 -2.44 0.00 0.00 57.07 53.42 1s4m s TYR 533 Cb -0.12 -3.03 -0.04 0.00 0.35 0.00 0.00 41.96 39.13 1s4m s TYR 533 CO 0.02 -0.77 0.98 0.42 -1.34 0.00 0.00 175.55 174.85 1s4m s ILE 534 N 1.61 4.69 0.17 3.14 1.01 -1.26 -1.17 121.20 129.38 1s4m s ILE 534 Ca 0.04 2.04 -0.29 0.00 0.00 0.00 0.00 60.65 62.43 1s4m s ILE 534 Cb -0.23 -4.30 -0.07 0.00 0.01 0.00 0.00 42.46 37.86 1s4m s ILE 534 CO 0.06 0.22 0.92 -0.76 0.00 0.00 0.00 174.94 175.38 1s4m s LEU 535 N 0.61 4.58 -1.23 2.97 1.02 -0.62 -4.19 118.68 121.82 1s4m s LEU 535 Ca 0.50 1.83 -0.12 0.00 0.02 0.00 0.00 54.13 56.37 1s4m s LEU 535 Cb -0.22 -3.55 -0.01 0.00 0.02 0.00 0.00 46.19 42.43 1s4m s LEU 535 CO 0.29 0.07 0.70 0.47 0.02 0.00 0.00 176.35 177.89 1s4m n ASP 536 N 2.08 -3.47 -3.75 2.29 10.43 -1.26 -4.59 116.55 118.27 1s4m n ASP 536 Ca -0.01 -0.97 -0.12 0.00 2.57 0.00 0.00 54.79 56.26 1s4m n ASP 536 Cb 0.48 -3.51 -0.12 0.00 1.84 0.00 0.00 41.12 39.81 1s4m n ASP 536 CO 0.00 0.00 0.00 0.12 -1.07 0.00 0.00 177.20 176.25 1s4m s PHE 537 N -3.61 -0.38 -0.07 1.24 5.36 -1.26 -5.08 117.98 114.19 1s4m s PHE 537 Ca 0.28 0.88 0.03 0.00 -0.96 0.00 0.00 56.93 57.16 1s4m s PHE 537 Cb -0.09 0.12 0.01 0.00 -0.34 0.00 0.00 43.02 42.71 1s4m s PHE 537 CO 0.85 -0.21 -0.15 -1.21 -1.46 0.00 0.00 175.22 173.04 1s4m s GLU 538 N 0.64 1.93 0.00 10.12 0.41 -1.26 -4.99 118.70 125.55 1s4m s GLU 538 Ca -0.04 -0.52 0.00 0.00 -0.41 0.00 0.00 54.97 54.00 1s4m s GLU 538 Cb -0.05 -1.57 0.00 0.00 -1.78 0.00 0.00 34.13 30.72 1s4m s GLU 538 CO -0.04 0.09 0.00 0.41 -0.49 0.00 0.00 175.26 175.23 1s4m n GLY 539 N 3.64 3.93 3.69 -1.39 0.00 -1.26 -5.09 105.19 108.71 1s4m n GLY 539 Ca -0.21 -0.66 -0.39 0.00 0.00 0.00 0.00 46.02 44.76 1s4m n GLY 539 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s4m s ASP 540 N 0.00 6.69 0.00 1.61 3.68 -1.26 -4.93 116.67 122.46 1s4m s ASP 540 Ca 0.00 0.83 0.10 0.00 2.13 0.00 0.00 52.55 55.61 1s4m s ASP 540 Cb 0.00 -2.32 0.22 0.00 -1.45 0.00 0.00 42.92 39.38 1s4m s ASP 540 CO 0.00 -0.12 1.11 0.18 0.13 0.00 0.00 175.17 176.46 1s4m n LEU 541 N 4.29 2.55 -4.66 -1.34 4.77 -1.26 -5.02 117.00 116.34 1s4m n LEU 541 Ca -0.04 -1.66 -0.53 0.00 -0.03 0.00 0.00 56.01 53.75 1s4m n LEU 541 Cb 0.51 -0.15 -0.06 0.00 -2.33 0.00 0.00 43.42 41.39 1s4m n LEU 541 CO 0.43 0.60 1.18 0.00 -1.33 0.00 0.00 177.39 178.27 1s4m n TYR 542 N 0.52 1.93 -0.79 -1.77 9.36 -1.26 -0.47 117.16 124.68 1s4m n TYR 542 Ca 0.09 0.45 0.00 0.00 3.32 0.00 0.00 57.90 61.77 1s4m n TYR 542 Cb 0.37 -2.46 0.00 0.00 -0.63 0.00 0.00 39.34 36.62 1s4m n TYR 542 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1s4m n GLY 543 N 3.50 0.92 3.81 2.98 0.00 -1.12 -4.96 105.19 110.33 1s4m n GLY 543 Ca 0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 1s4m n GLY 543 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s4m s GLN 544 N -0.20 2.93 0.07 1.61 -0.21 0.38 -4.79 119.66 119.45 1s4m s GLN 544 Ca 0.00 -0.89 -0.24 0.00 0.02 0.00 0.00 55.36 54.26 1s4m s GLN 544 Cb 0.00 -2.65 -0.06 0.00 1.00 0.00 0.00 33.01 31.30 1s4m s GLN 544 CO 0.00 0.47 0.72 1.03 -2.12 0.00 0.00 175.29 175.39 1s4m s ARG 545 N -3.22 4.45 0.04 2.91 0.52 -1.26 -1.40 118.95 120.99 1s4m s ARG 545 Ca 0.31 1.00 0.06 0.00 -0.52 0.00 0.00 55.73 56.59 1s4m s ARG 545 Cb -0.10 -3.32 -0.02 0.00 0.52 0.00 0.00 34.95 32.03 1s4m s ARG 545 CO 0.24 0.41 -0.18 -0.51 0.02 0.00 0.00 175.30 175.29 1s4m s LEU 546 N -0.49 2.15 -0.18 2.53 1.43 -0.63 -4.13 118.68 119.37 1s4m s LEU 546 Ca 0.35 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.99 1s4m s LEU 546 Cb -0.21 -0.81 0.03 0.00 0.03 0.00 0.00 46.19 45.23 1s4m s LEU 546 CO 0.22 0.11 -0.14 -0.54 0.23 0.00 0.00 176.35 176.24 1s4m s LYS 547 N -1.07 2.32 -0.19 1.70 1.02 -1.08 -2.22 119.74 120.21 1s4m s LYS 547 Ca 0.05 -0.74 -0.02 0.00 0.02 0.00 0.00 55.97 55.27 1s4m s LYS 547 Cb -0.08 -2.33 -0.00 0.00 -0.52 0.00 0.00 37.83 34.89 1s4m s LYS 547 CO 0.01 -0.32 -0.09 -0.51 -0.92 0.00 0.00 175.35 173.52 1s4m s LEU 548 N 1.40 2.71 0.03 3.17 1.43 0.55 -0.56 118.68 127.41 1s4m s LEU 548 Ca 0.02 -0.43 -0.27 0.00 -1.03 0.00 0.00 54.13 52.43 1s4m s LEU 548 Cb -0.14 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.37 1s4m s LEU 548 CO -0.10 0.02 0.84 -1.61 0.23 0.00 0.00 176.35 175.73 1s4m s GLU 549 N 1.19 4.54 -0.41 1.70 2.02 -0.21 -1.14 118.70 126.39 1s4m s GLU 549 Ca 0.02 1.18 -0.17 0.00 0.02 0.00 0.00 54.97 56.02 1s4m s GLU 549 Cb -0.14 -3.40 0.02 0.00 0.10 0.00 0.00 34.13 30.70 1s4m s GLU 549 CO -0.03 0.16 0.43 0.08 0.02 0.00 0.00 175.26 175.92 1s4m s VAL 550 N 0.35 5.09 -0.17 2.63 1.01 0.21 -1.61 120.40 127.90 1s4m s VAL 550 Ca 0.43 -0.27 -0.18 0.00 0.00 0.00 0.00 61.98 61.96 1s4m s VAL 550 Cb -0.21 -4.01 -0.22 0.00 0.00 0.00 0.00 36.38 31.94 1s4m s VAL 550 CO 0.24 -0.38 0.32 -0.07 0.00 0.00 0.00 175.10 175.21 1s4m h LEU 551 N 9.03 0.14 -7.32 3.92 4.07 -0.93 -3.39 115.31 120.83 1s4m h LEU 551 Ca -0.27 -0.67 -0.11 0.00 0.08 0.00 0.00 57.88 56.91 1s4m h LEU 551 Cb 1.11 -0.05 -0.23 0.00 1.08 0.00 0.00 40.66 42.58 1s4m h LEU 551 CO 0.78 1.57 -0.20 -0.54 -1.08 0.00 0.00 178.44 178.98 1s4m s LYS 552 N -2.42 0.57 -0.12 1.13 1.02 -1.09 -4.03 119.74 114.80 1s4m s LYS 552 Ca -0.26 0.42 -0.29 0.00 0.02 0.00 0.00 55.97 55.85 1s4m s LYS 552 Cb 0.05 0.27 -0.01 0.00 -0.52 0.00 0.00 37.83 37.63 1s4m s LYS 552 CO 0.66 -0.10 1.06 0.12 -0.92 0.00 0.00 175.35 176.17 1s4m s PHE 553 N -0.18 3.39 -0.20 3.18 5.36 -1.26 -0.82 117.98 127.46 1s4m s PHE 553 Ca -0.03 1.48 -0.16 0.00 -0.96 0.00 0.00 56.93 57.25 1s4m s PHE 553 Cb -0.03 -3.26 -0.09 0.00 -0.34 0.00 0.00 43.02 39.30 1s4m s PHE 553 CO 0.02 -0.54 -0.25 -1.33 -1.46 0.00 0.00 175.22 171.66 1s4m n MET 554 N 5.34 0.53 -3.56 10.12 2.81 0.74 -4.94 117.12 128.15 1s4m n MET 554 Ca 0.10 0.33 -0.12 0.00 -1.81 0.00 0.00 57.70 56.20 1s4m n MET 554 Cb 0.48 -1.54 -0.04 0.00 -0.71 0.00 0.00 33.22 31.41 1s4m n MET 554 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 1s4m s ARG 555 N -2.61 1.10 0.85 0.03 1.70 -1.13 -5.01 118.95 113.89 1s4m s ARG 555 Ca -0.29 -0.46 -0.11 0.00 -0.47 0.00 0.00 55.73 54.40 1s4m s ARG 555 Cb 0.07 0.50 0.10 0.00 -0.57 0.00 0.00 34.95 35.05 1s4m s ARG 555 CO 0.42 -0.43 1.09 -0.51 -1.08 0.00 0.00 175.30 174.79 1s4m s ASP 556 N -2.44 3.87 0.41 -2.89 1.01 -1.26 -0.65 116.67 114.71 1s4m s ASP 556 Ca -0.01 1.60 -0.24 0.00 0.71 0.00 0.00 52.55 54.60 1s4m s ASP 556 Cb 0.00 -2.29 -0.09 0.00 1.01 0.00 0.00 42.92 41.56 1s4m s ASP 556 CO -0.08 -2.40 1.10 -0.70 0.21 0.00 0.00 175.17 173.30 1s4m s GLU 557 N -4.93 4.08 0.00 8.23 2.56 -1.26 -4.62 118.70 122.77 1s4m s GLU 557 Ca 0.62 1.66 0.02 0.00 0.00 0.00 0.00 54.97 57.27 1s4m s GLU 557 Cb -0.18 -2.58 -0.01 0.00 2.00 0.00 0.00 34.13 33.37 1s4m s GLU 557 CO 0.57 -0.25 -0.06 0.21 -0.56 0.00 0.00 175.26 175.17 1s4m s LYS 558 N -2.44 0.45 -0.49 4.30 2.20 -1.26 -4.99 119.74 117.51 1s4m s LYS 558 Ca 0.58 -0.27 -0.24 0.00 -0.36 0.00 0.00 55.97 55.68 1s4m s LYS 558 Cb -0.26 -0.40 0.03 0.00 -1.51 0.00 0.00 37.83 35.69 1s4m s LYS 558 CO 0.32 0.11 0.89 0.15 -0.36 0.00 0.00 175.35 176.46 1s4m s LYS 559 N -0.32 3.43 -0.16 4.03 -0.14 -1.26 -5.02 119.74 120.30 1s4m s LYS 559 Ca 0.00 -0.06 -0.14 0.00 -1.36 0.00 0.00 55.97 54.41 1s4m s LYS 559 Cb -0.03 -3.97 -0.05 0.00 -1.68 0.00 0.00 37.83 32.10 1s4m s LYS 559 CO -0.00 -1.28 0.30 -0.06 -0.76 0.00 0.00 175.35 173.55 1s4m s PHE 560 N 3.69 3.46 -0.41 3.18 0.40 -1.26 -4.96 117.98 122.08 1s4m s PHE 560 Ca 0.33 0.61 0.05 0.00 -0.60 0.00 0.00 56.93 57.32 1s4m s PHE 560 Cb -0.11 -2.35 0.45 0.00 0.51 0.00 0.00 43.02 41.51 1s4m s PHE 560 CO 0.23 0.23 1.39 -0.40 0.70 0.00 0.00 175.22 177.38 1s4m n ASP 561 N 3.59 3.65 -3.67 1.36 5.75 -1.26 -4.81 116.55 121.15 1s4m n ASP 561 Ca -0.12 -2.75 -0.12 0.00 -0.01 0.00 0.00 54.79 51.79 1s4m n ASP 561 Cb 0.52 -0.66 -0.08 0.00 -1.03 0.00 0.00 41.12 39.87 1s4m n ASP 561 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1s4m s SER 562 N -0.42 -0.65 0.46 -1.12 0.15 -1.26 -5.03 113.70 105.84 1s4m s SER 562 Ca 0.33 1.19 0.23 0.00 0.70 0.00 0.00 55.95 58.39 1s4m s SER 562 Cb 0.27 1.16 1.10 0.00 -1.71 0.00 0.00 66.02 66.83 1s4m s SER 562 CO 0.08 -0.21 1.93 -0.29 1.20 0.00 0.00 173.24 175.95 1s4m h ILE 563 N 4.51 0.73 0.01 6.45 6.09 -2.01 -2.84 117.51 130.46 1s4m h ILE 563 Ca -0.29 -0.93 -0.24 0.00 -1.37 0.00 0.00 64.86 62.03 1s4m h ILE 563 Cb 1.18 1.58 -0.03 0.00 0.47 0.00 0.00 36.82 40.01 1s4m h ILE 563 CO 0.16 0.22 -1.24 -0.08 -3.07 0.00 0.00 178.15 174.14 1s4m h GLU 564 N 0.00 0.02 -0.48 2.19 4.57 -1.99 -3.11 114.58 115.78 1s4m h GLU 564 Ca -0.00 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 58.06 1s4m h GLU 564 Cb 0.56 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.14 1s4m h GLU 564 CO 0.03 0.86 -0.02 0.93 -1.18 0.00 0.00 179.01 179.63 1s4m h GLU 565 N 0.01 0.82 0.30 1.92 5.08 -1.92 -1.02 114.58 119.76 1s4m h GLU 565 Ca -0.11 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 1s4m h GLU 565 Cb 1.86 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.03 1s4m h GLU 565 CO 0.12 0.83 -0.14 1.25 -1.00 0.00 0.00 179.01 180.07 1s4m h LEU 566 N 0.76 -0.34 -1.09 1.33 5.85 -1.60 0.14 115.31 120.36 1s4m h LEU 566 Ca 0.14 -0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.86 1s4m h LEU 566 Cb 0.49 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.54 1s4m h LEU 566 CO 0.02 -0.10 0.61 0.50 -0.34 0.00 0.00 178.44 179.13 1s4m h LYS 567 N -0.57 0.99 -0.70 1.25 1.63 -1.46 0.17 116.57 117.88 1s4m h LYS 567 Ca -0.04 -0.06 -0.04 0.00 -0.85 0.00 0.00 60.65 59.66 1s4m h LYS 567 Cb 0.42 -0.22 -0.03 0.00 -0.60 0.00 0.00 32.23 31.79 1s4m h LYS 567 CO 0.07 0.65 0.28 0.00 -3.45 0.00 0.00 179.45 177.00 1s4m h ALA 568 N 1.52 0.91 -0.35 5.00 0.00 -0.92 -0.91 119.26 124.51 1s4m h ALA 568 Ca 0.44 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 1s4m h ALA 568 Cb 0.33 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1s4m h ALA 568 CO -0.19 0.54 -0.18 0.00 0.00 0.00 0.00 179.25 179.41 1s4m h ALA 569 N 1.13 0.50 -0.88 0.00 0.00 0.72 -1.79 119.26 118.94 1s4m h ALA 569 Ca 0.23 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1s4m h ALA 569 Cb 0.22 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1s4m h ALA 569 CO -0.02 0.43 0.46 0.82 0.00 0.00 0.00 179.25 180.95 1s4m h ILE 570 N 0.53 1.26 -0.45 0.00 2.04 -0.46 0.63 117.51 121.06 1s4m h ILE 570 Ca 0.08 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 1s4m h ILE 570 Cb 0.73 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 1s4m h ILE 570 CO 0.05 0.30 0.23 -0.78 0.00 0.00 0.00 178.15 177.96 1s4m h ASP 571 N 1.24 0.58 -0.33 1.72 -0.00 -1.06 -1.00 116.42 117.57 1s4m h ASP 571 Ca 0.31 -0.11 -0.04 0.00 -0.00 0.00 0.00 57.03 57.19 1s4m h ASP 571 Cb 0.06 -0.15 -0.02 0.00 -0.00 0.00 0.00 39.33 39.22 1s4m h ASP 571 CO -0.05 0.53 0.10 -0.61 -0.00 0.00 0.00 179.24 179.21 1s4m h GLN 572 N 0.59 0.60 -0.01 0.28 4.15 -0.70 -1.88 115.11 118.15 1s4m h GLN 572 Ca 0.16 -0.10 -0.00 0.00 0.77 0.00 0.00 58.65 59.47 1s4m h GLN 572 Cb 0.09 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 27.68 1s4m h GLN 572 CO -0.02 0.55 0.00 -0.44 -1.93 0.00 0.00 178.83 176.99 1s4m h ASP 573 N 0.58 0.02 -0.71 -0.69 3.32 0.07 0.21 116.42 119.22 1s4m h ASP 573 Ca 0.14 -0.29 0.04 0.00 0.02 0.00 0.00 57.03 56.94 1s4m h ASP 573 Cb 0.23 -0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 1s4m h ASP 573 CO -0.00 0.30 0.47 0.58 -1.72 0.00 0.00 179.24 178.87 1s4m h VAL 574 N -0.27 1.08 0.12 -1.35 2.07 -1.06 0.51 116.25 117.35 1s4m h VAL 574 Ca 0.00 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1s4m h VAL 574 Cb 0.29 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1s4m h VAL 574 CO 0.00 0.15 -0.06 0.50 0.02 0.00 0.00 177.57 178.18 1s4m h LYS 575 N 0.82 -0.15 -0.90 1.57 3.64 -1.09 -0.52 116.57 119.95 1s4m h LYS 575 Ca 0.29 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.69 1s4m h LYS 575 Cb 0.13 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 1s4m h LYS 575 CO -0.09 0.13 0.58 1.03 -2.27 0.00 0.00 179.45 178.83 1s4m h SER 576 N -0.43 1.05 -0.39 4.20 0.87 0.26 -2.47 113.55 116.63 1s4m h SER 576 Ca -0.02 -0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1s4m h SER 576 Cb 0.35 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 1s4m h SER 576 CO 0.03 0.77 0.24 0.00 -0.53 0.00 0.00 176.83 177.33 1s4m h ALA 577 N 1.42 0.50 -0.73 6.23 0.00 0.28 -1.27 119.26 125.69 1s4m h ALA 577 Ca 0.33 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.23 1s4m h ALA 577 Cb -0.12 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 1s4m h ALA 577 CO -0.07 0.00 0.48 0.00 0.00 0.00 0.00 179.25 179.66 1s4m h ARG 578 N 0.52 0.81 -0.20 0.00 3.08 -0.65 0.14 114.38 118.07 1s4m h ARG 578 Ca 0.14 -0.05 -0.19 0.00 0.07 0.00 0.00 59.98 59.95 1s4m h ARG 578 Cb 0.01 -0.18 0.01 0.00 0.08 0.00 0.00 29.97 29.88 1s4m h ARG 578 CO -0.03 0.53 -0.63 -0.97 -1.07 0.00 0.00 179.97 177.81 1s4m h ASN 579 N 0.83 0.91 -0.77 7.04 -0.00 -1.06 -1.36 115.58 121.16 1s4m h ASN 579 Ca 0.30 -0.59 -0.04 0.00 -0.00 0.00 0.00 56.30 55.98 1s4m h ASN 579 Cb 0.14 -0.26 -0.03 0.00 -0.00 0.00 0.00 38.32 38.16 1s4m h ASN 579 CO -0.09 1.34 0.32 0.24 -0.00 0.00 0.00 177.43 179.24 1s4m h MET 580 N 0.53 1.13 -0.37 6.67 2.86 -0.56 0.26 114.93 125.45 1s4m h MET 580 Ca -0.02 -0.20 0.01 0.00 -2.06 0.00 0.00 59.70 57.43 1s4m h MET 580 Cb 1.25 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.70 1s4m h MET 580 CO 0.13 0.91 0.23 0.82 1.06 0.00 0.00 176.91 180.06 1s4m h ILE 581 N 1.10 1.06 -0.47 -1.22 2.04 -0.66 0.19 117.51 119.54 1s4m h ILE 581 Ca 0.26 -0.16 0.06 0.00 1.00 0.00 0.00 64.86 66.02 1s4m h ILE 581 Cb 0.19 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 36.78 1s4m h ILE 581 CO -0.02 0.08 0.17 -0.78 0.00 0.00 0.00 178.15 177.60 1s4m h ASP 582 N 0.46 0.17 -0.46 1.72 3.58 -0.52 -1.46 116.42 119.91 1s4m h ASP 582 Ca 0.14 0.06 0.04 0.00 0.42 0.00 0.00 57.03 57.69 1s4m h ASP 582 Cb -0.02 0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.03 1s4m h ASP 582 CO -0.05 0.13 0.22 0.44 -2.88 0.00 0.00 179.24 177.09 1s4m h ASP 583 N 0.34 0.30 -0.70 2.28 3.32 -0.14 -0.59 116.42 121.23 1s4m h ASP 583 Ca 0.22 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.34 1s4m h ASP 583 Cb 0.23 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.71 1s4m h ASP 583 CO -0.23 0.21 0.43 0.40 -1.72 0.00 0.00 179.24 178.34 1s4m h ILE 584 N 0.44 1.07 -0.27 0.35 2.04 0.04 -0.24 117.51 120.94 1s4m h ILE 584 Ca 0.21 -0.29 -0.15 0.00 1.00 0.00 0.00 64.86 65.63 1s4m h ILE 584 Cb 0.13 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.38 1s4m h ILE 584 CO -0.16 0.15 -0.41 0.40 0.00 0.00 0.00 178.15 178.14 1s4m h ILE 585 N 0.83 1.30 0.00 -0.67 2.04 -0.86 -3.11 117.51 117.04 1s4m h ILE 585 Ca 0.29 -1.60 -0.02 0.00 1.00 0.00 0.00 64.86 64.53 1s4m h ILE 585 Cb 0.06 1.68 -0.00 0.00 -0.74 0.00 0.00 36.82 37.81 1s4m h ILE 585 CO -0.12 0.51 -0.08 0.78 0.00 0.00 0.00 178.15 179.23 1s4m h ASN 586 N 0.48 0.00 0.18 1.72 2.35 -0.83 -1.92 115.58 117.55 1s4m h ASN 586 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1s4m h ASN 586 Cb 1.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.37 1s4m h ASN 586 CO 0.09 0.08 0.00 -1.54 -1.65 0.00 0.00 177.43 174.42 1s4m n SER 587 N -3.20 0.00 0.03 5.81 3.41 -0.13 -2.53 113.62 117.02 1s4m n SER 587 Ca 0.01 -0.37 0.12 0.00 -0.26 0.00 0.00 58.87 58.38 1s4m n SER 587 Cb 0.37 -0.13 0.30 0.00 -0.26 0.00 0.00 64.21 64.49 1s4m n SER 587 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1s4m n LYS 588 N -1.13 0.13 0.00 4.33 4.01 -0.72 -5.09 118.16 119.69 1s4m n LYS 588 Ca 0.13 0.05 0.00 0.00 -0.51 0.00 0.00 58.31 57.98 1s4m n LYS 588 Cb 0.11 -1.60 0.00 0.00 -0.51 0.00 0.00 35.03 33.04 1s4m n LYS 588 CO 0.00 0.00 0.00 1.97 -1.11 0.00 0.00 177.40 178.26