#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1om4 s PHE 300 N 0.00 3.04 0.15 -0.14 0.40 -1.26 -4.89 117.98 115.28 1om4 s PHE 300 Ca 0.00 0.78 0.03 0.00 -0.60 0.00 0.00 56.93 57.15 1om4 s PHE 300 Cb 0.00 -3.77 -0.04 0.00 0.51 0.00 0.00 43.02 39.72 1om4 s PHE 300 CO 0.00 -0.89 0.21 -0.51 0.70 0.00 0.00 175.22 174.73 1om4 s LEU 301 N 3.63 4.10 0.03 -0.37 1.43 -1.11 -4.94 118.68 121.46 1om4 s LEU 301 Ca 0.40 0.05 0.06 0.00 -1.03 0.00 0.00 54.13 53.61 1om4 s LEU 301 Cb -0.11 -2.69 -0.02 0.00 0.03 0.00 0.00 46.19 43.39 1om4 s LEU 301 CO 0.20 0.07 -0.19 -0.54 0.23 0.00 0.00 176.35 176.12 1om4 s LYS 302 N -3.13 1.32 -0.05 1.70 1.02 -1.26 0.94 119.74 120.28 1om4 s LYS 302 Ca 0.33 -0.85 0.05 0.00 0.02 0.00 0.00 55.97 55.52 1om4 s LYS 302 Cb -0.11 -1.38 -0.01 0.00 -0.52 0.00 0.00 37.83 35.81 1om4 s LYS 302 CO 0.26 0.36 -0.21 0.14 -0.92 0.00 0.00 175.35 174.98 1om4 s VAL 303 N -0.73 1.70 0.06 3.17 -7.23 0.52 -4.96 120.40 112.93 1om4 s VAL 303 Ca 0.06 -0.87 0.07 0.00 -1.81 0.00 0.00 61.98 59.43 1om4 s VAL 303 Cb -0.08 -1.45 -0.03 0.00 0.56 0.00 0.00 36.38 35.38 1om4 s VAL 303 CO 0.01 0.48 -0.17 -0.75 -0.31 0.00 0.00 175.10 174.36 1om4 s LYS 304 N -0.10 2.02 -0.29 4.82 2.20 -1.26 -0.69 119.74 126.44 1om4 s LYS 304 Ca -0.02 -1.02 -0.10 0.00 -0.36 0.00 0.00 55.97 54.46 1om4 s LYS 304 Cb -0.12 -2.18 -0.03 0.00 -1.51 0.00 0.00 37.83 33.99 1om4 s LYS 304 CO 0.02 0.53 0.16 1.21 -0.36 0.00 0.00 175.35 176.91 1om4 s ASN 305 N -1.63 5.71 0.00 1.43 3.84 -0.41 -1.89 114.94 121.99 1om4 s ASN 305 Ca 0.16 -0.24 0.26 0.00 0.21 0.00 0.00 52.86 53.25 1om4 s ASN 305 Cb -0.11 -2.05 1.53 0.00 -0.55 0.00 0.00 41.25 40.07 1om4 s ASN 305 CO 0.07 -0.11 1.90 0.79 -2.79 0.00 0.00 177.10 176.96 1om4 n TRP 306 N 5.02 0.00 -0.06 0.43 7.02 -0.35 0.60 117.44 130.10 1om4 n TRP 306 Ca -0.14 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.32 1om4 n TRP 306 Cb 0.51 -0.03 -0.14 0.00 -2.42 0.00 0.00 31.31 29.23 1om4 n TRP 306 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1om4 n GLU 307 N -1.03 0.90 0.00 -0.99 2.13 -1.26 -4.61 120.64 115.78 1om4 n GLU 307 Ca 0.19 -0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.94 1om4 n GLU 307 Cb 0.10 -1.46 0.00 0.00 0.27 0.00 0.00 31.44 30.35 1om4 n GLU 307 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1om4 n THR 308 N -2.48 0.00 -0.56 6.31 -2.24 -1.16 -5.00 114.28 109.15 1om4 n THR 308 Ca -0.20 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 1om4 n THR 308 Cb 0.87 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 70.09 1om4 n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1om4 n ASP 309 N -0.98 0.00 -4.71 3.42 8.00 0.20 -4.96 116.55 117.53 1om4 n ASP 309 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 1om4 n ASP 309 Cb 0.00 -0.91 -0.03 0.00 -0.02 0.00 0.00 41.12 40.16 1om4 n ASP 309 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1om4 n VAL 310 N -2.00 0.16 -4.80 2.53 0.31 -1.24 -4.67 118.33 108.62 1om4 n VAL 310 Ca 0.00 -0.03 -0.33 0.00 -0.01 0.00 0.00 64.34 63.97 1om4 n VAL 310 Cb 0.00 -2.05 -0.14 0.00 -0.91 0.00 0.00 33.84 30.73 1om4 n VAL 310 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1om4 s VAL 311 N 1.84 3.02 0.02 2.52 1.01 -1.26 -1.28 120.40 126.27 1om4 s VAL 311 Ca 0.78 -0.68 0.09 0.00 0.00 0.00 0.00 61.98 62.17 1om4 s VAL 311 Cb -0.49 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 1om4 s VAL 311 CO 0.34 0.53 -0.25 -0.76 0.00 0.00 0.00 175.10 174.96 1om4 s LEU 312 N 0.26 2.19 -0.17 3.92 1.43 0.13 -4.95 118.68 121.49 1om4 s LEU 312 Ca -0.09 -0.53 -0.08 0.00 -1.03 0.00 0.00 54.13 52.40 1om4 s LEU 312 Cb -0.16 -1.33 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 1om4 s LEU 312 CO 0.05 0.28 0.09 -0.89 0.23 0.00 0.00 176.35 176.11 1om4 s THR 313 N -0.76 5.01 -0.23 5.49 2.01 -1.26 -0.35 115.64 125.55 1om4 s THR 313 Ca 0.11 0.04 -0.06 0.00 0.31 0.00 0.00 61.69 62.10 1om4 s THR 313 Cb -0.10 -3.25 -0.02 0.00 0.01 0.00 0.00 72.50 69.14 1om4 s THR 313 CO 0.01 0.48 0.03 -0.62 -0.69 0.00 0.00 174.62 173.84 1om4 s ASP 314 N 0.11 4.89 -0.00 3.53 -1.08 0.27 -4.66 116.67 119.71 1om4 s ASP 314 Ca 0.06 -0.25 0.04 0.00 -0.52 0.00 0.00 52.55 51.89 1om4 s ASP 314 Cb -0.12 -1.86 -0.06 0.00 -1.46 0.00 0.00 42.92 39.42 1om4 s ASP 314 CO 0.00 -0.02 0.10 0.35 0.52 0.00 0.00 175.17 176.12 1om4 n THR 315 N 4.79 0.00 0.02 1.71 -2.24 -0.09 -2.73 114.28 115.74 1om4 n THR 315 Ca -0.17 -0.13 0.07 0.00 -2.27 0.00 0.00 64.05 61.55 1om4 n THR 315 Cb 0.51 0.48 0.48 0.00 -2.10 0.00 0.00 70.33 69.71 1om4 n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1om4 h LEU 316 N 0.00 0.37 -2.88 3.22 5.85 -1.53 -1.54 115.31 118.80 1om4 h LEU 316 Ca 0.00 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1om4 h LEU 316 Cb 0.17 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 1om4 h LEU 316 CO 0.00 0.25 -0.00 1.12 -0.34 0.00 0.00 178.44 179.47 1om4 h HIS 317 N 0.43 0.00 0.00 1.25 2.07 -1.83 -0.36 115.15 116.71 1om4 h HIS 317 Ca 0.16 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.68 1om4 h HIS 317 Cb 0.11 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.09 1om4 h HIS 317 CO -0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 1om4 n LEU 318 N -3.15 0.02 -0.87 6.12 4.77 -0.58 -1.18 117.00 122.13 1om4 n LEU 318 Ca -0.03 0.51 0.12 0.00 -0.03 0.00 0.00 56.01 56.58 1om4 n LEU 318 Cb 0.08 -0.50 0.09 0.00 -2.33 0.00 0.00 43.42 40.76 1om4 n LEU 318 CO 0.21 -0.32 0.58 0.29 -1.33 0.00 0.00 177.39 176.82 1om4 n LYS 319 N -1.53 2.12 -1.70 3.23 5.02 -0.14 -4.98 118.16 120.19 1om4 n LYS 319 Ca 0.03 -1.75 -0.43 0.00 -2.02 0.00 0.00 58.31 54.14 1om4 n LYS 319 Cb 0.13 -1.46 -0.01 0.00 -0.02 0.00 0.00 35.03 33.67 1om4 n LYS 319 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1om4 n SER 320 N 1.09 2.77 -0.03 4.39 2.88 -0.32 -4.94 113.62 119.45 1om4 n SER 320 Ca 0.13 1.21 -0.08 0.00 -1.33 0.00 0.00 58.87 58.80 1om4 n SER 320 Cb 0.57 -1.48 -0.03 0.00 -0.75 0.00 0.00 64.21 62.53 1om4 n SER 320 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1om4 n THR 321 N 0.41 0.82 -1.71 2.46 5.66 -1.13 -5.05 114.28 115.74 1om4 n THR 321 Ca 0.05 0.04 -0.30 0.00 -3.05 0.00 0.00 64.05 60.79 1om4 n THR 321 Cb 0.36 -1.71 0.08 0.00 -1.55 0.00 0.00 70.33 67.51 1om4 n THR 321 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1om4 s LEU 322 N -6.81 2.64 0.56 1.09 1.43 -1.25 -5.07 118.68 111.27 1om4 s LEU 322 Ca -0.12 1.15 -0.05 0.00 -1.03 0.00 0.00 54.13 54.08 1om4 s LEU 322 Cb 0.04 -3.79 0.00 0.00 0.03 0.00 0.00 46.19 42.47 1om4 s LEU 322 CO 0.16 -1.80 0.86 -1.61 0.23 0.00 0.00 176.35 174.19 1om4 s GLU 323 N -5.29 2.99 -0.14 1.70 2.02 -1.26 -4.53 118.70 114.19 1om4 s GLU 323 Ca 0.60 -0.05 0.17 0.00 0.02 0.00 0.00 54.97 55.71 1om4 s GLU 323 Cb -0.13 -2.32 -0.24 0.00 0.10 0.00 0.00 34.13 31.55 1om4 s GLU 323 CO 0.53 -0.60 0.14 0.25 0.02 0.00 0.00 175.26 175.59 1om4 n THR 324 N -2.49 0.95 0.00 3.63 -2.24 -1.26 -4.81 114.28 108.06 1om4 n THR 324 Ca 0.04 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 1om4 n THR 324 Cb 0.57 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 1om4 n THR 324 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1om4 n GLY 325 N 1.80 2.59 3.94 3.38 0.00 -1.26 -4.90 105.19 110.73 1om4 n GLY 325 Ca -0.23 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 1om4 n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1om4 n THR 327 N -2.80 0.00 0.46 0.00 -2.24 -0.06 -5.00 114.28 104.65 1om4 n THR 327 Ca 0.08 -2.05 0.13 0.00 -2.27 0.00 0.00 64.05 59.94 1om4 n THR 327 Cb 0.60 1.13 0.45 0.00 -2.10 0.00 0.00 70.33 70.41 1om4 n THR 327 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1om4 h GLU 328 N 0.00 0.00 0.00 -0.78 3.07 -2.05 -3.20 114.58 111.62 1om4 h GLU 328 Ca -0.25 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.47 1om4 h GLU 328 Cb 1.17 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.05 1om4 h GLU 328 CO 0.35 0.00 -2.14 0.72 -1.40 0.00 0.00 179.01 176.54 1om4 n HIS 329 N -2.41 0.02 -3.78 4.33 8.25 -1.26 -4.99 115.22 115.38 1om4 n HIS 329 Ca 0.04 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.37 1om4 n HIS 329 Cb 0.35 -0.70 -0.12 0.00 1.12 0.00 0.00 29.99 30.63 1om4 n HIS 329 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1om4 s ILE 330 N -3.11 -0.01 -0.19 1.59 2.07 -1.21 -5.14 121.20 115.20 1om4 s ILE 330 Ca -0.09 0.04 -0.07 0.00 -1.41 0.00 0.00 60.65 59.12 1om4 s ILE 330 Cb 0.11 -0.35 -0.04 0.00 0.13 0.00 0.00 42.46 42.31 1om4 s ILE 330 CO 0.88 0.02 0.06 0.00 -1.91 0.00 0.00 174.94 173.98 1om4 n MET 332 N 3.77 1.77 0.23 0.00 0.00 -1.26 -4.78 117.12 116.84 1om4 n MET 332 Ca -0.16 -3.23 0.18 0.00 0.00 0.00 0.00 57.70 54.48 1om4 n MET 332 Cb 0.52 -1.77 0.81 0.00 0.00 0.00 0.00 33.22 32.78 1om4 n MET 332 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1om4 h GLY 333 N 1.00 0.00 -2.33 3.03 0.00 -1.94 -0.80 103.07 102.03 1om4 h GLY 333 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1om4 h GLY 333 CO 0.29 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.69 1om4 n SER 334 N -3.31 3.51 -4.70 0.19 3.41 -1.26 -4.86 113.62 106.59 1om4 n SER 334 Ca 0.02 -1.99 -0.42 0.00 -0.26 0.00 0.00 58.87 56.21 1om4 n SER 334 Cb 0.45 -0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 64.10 1om4 n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1om4 s ILE 335 N -1.44 4.84 0.08 -1.33 -1.09 -0.31 -4.96 121.20 117.00 1om4 s ILE 335 Ca 0.39 2.05 -0.17 0.00 -2.23 0.00 0.00 60.65 60.69 1om4 s ILE 335 Cb 0.23 -4.32 -0.09 0.00 -1.58 0.00 0.00 42.46 36.71 1om4 s ILE 335 CO 0.32 0.11 1.46 0.24 -1.23 0.00 0.00 174.94 175.83 1om4 h MET 336 N 6.90 0.52 -2.93 2.79 2.86 -1.91 -3.37 114.93 119.79 1om4 h MET 336 Ca -0.38 -0.22 -0.61 0.00 -2.06 0.00 0.00 59.70 56.43 1om4 h MET 336 Cb 1.20 -0.02 -0.41 0.00 0.06 0.00 0.00 31.60 32.42 1om4 h MET 336 CO 0.78 0.76 -0.66 -0.51 1.06 0.00 0.00 176.91 178.34 1om4 s LEU 337 N -9.25 4.05 0.00 1.22 1.43 -1.26 -5.15 118.68 109.72 1om4 s LEU 337 Ca -0.13 -3.67 -0.01 0.00 -1.03 0.00 0.00 54.13 49.29 1om4 s LEU 337 Cb 0.08 -1.37 -0.01 0.00 0.03 0.00 0.00 46.19 44.92 1om4 s LEU 337 CO 0.77 -0.11 1.02 -0.65 0.23 0.00 0.00 176.35 177.62 1om4 h PRO 338 N 5.47 -0.04 0.00 1.29 0.11 -1.91 -3.54 132.00 133.38 1om4 h PRO 338 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1om4 h PRO 338 Cb 0.79 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1om4 h PRO 338 CO 0.64 -0.03 0.00 2.41 -0.21 0.00 0.00 178.00 180.81 1om4 n THR 350 N -2.26 0.00 -0.18 -1.15 -1.04 -1.26 -5.02 114.28 103.36 1om4 n THR 350 Ca -0.00 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.07 1om4 n THR 350 Cb 0.02 0.00 0.36 0.00 -1.82 0.00 0.00 70.33 68.89 1om4 n THR 350 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1om4 h LYS 351 N 0.00 0.72 -0.06 -2.82 1.57 -1.94 0.24 116.57 114.29 1om4 h LYS 351 Ca 0.00 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 1om4 h LYS 351 Cb 0.00 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1om4 h LYS 351 CO 0.00 0.47 -0.37 -0.44 -0.57 0.00 0.00 179.45 178.54 1om4 h ASP 352 N 0.74 0.11 0.48 0.86 3.45 -1.99 -2.79 116.42 117.28 1om4 h ASP 352 Ca 0.32 -0.04 -0.30 0.00 0.43 0.00 0.00 57.03 57.43 1om4 h ASP 352 Cb 0.29 -0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 39.02 1om4 h ASP 352 CO -0.11 0.48 -1.49 1.56 -1.57 0.00 0.00 179.24 178.11 1om4 h GLN 353 N 0.10 0.24 -0.00 3.56 4.20 -1.52 -3.40 115.11 118.29 1om4 h GLN 353 Ca 0.01 -0.41 -0.00 0.00 0.06 0.00 0.00 58.65 58.31 1om4 h GLN 353 Cb 0.71 0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.64 1om4 h GLN 353 CO 0.05 1.10 -0.00 1.25 -0.67 0.00 0.00 178.83 180.56 1om4 h LEU 354 N 0.06 0.01 -0.86 1.46 5.85 -0.52 -3.28 115.31 118.03 1om4 h LEU 354 Ca -0.23 -0.48 0.14 0.00 0.84 0.00 0.00 57.88 58.16 1om4 h LEU 354 Cb 2.00 -0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.94 1om4 h LEU 354 CO 0.16 0.49 0.47 0.15 -0.34 0.00 0.00 178.44 179.36 1om4 h PHE 355 N -0.46 0.82 -0.58 1.25 3.57 -1.70 0.30 116.94 120.14 1om4 h PHE 355 Ca 0.00 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.54 1om4 h PHE 355 Cb 0.48 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 1om4 h PHE 355 CO 0.09 0.23 0.38 -1.35 -2.23 0.00 0.00 178.31 175.43 1om4 h PRO 356 N 0.68 0.74 -0.53 6.41 0.11 -1.76 0.10 132.00 137.75 1om4 h PRO 356 Ca 0.46 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.46 1om4 h PRO 356 Cb 0.61 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 1om4 h PRO 356 CO -0.34 0.49 0.07 -0.07 -0.21 0.00 0.00 178.00 177.94 1om4 h LEU 357 N 0.76 0.86 -0.69 2.35 3.38 -1.36 -1.01 115.31 119.60 1om4 h LEU 357 Ca 0.22 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1om4 h LEU 357 Cb -0.07 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 1om4 h LEU 357 CO -0.06 0.91 0.25 0.00 0.09 0.00 0.00 178.44 179.63 1om4 h ALA 358 N 0.98 0.90 -0.29 1.53 0.00 -0.61 -1.98 119.26 119.78 1om4 h ALA 358 Ca 0.16 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1om4 h ALA 358 Cb 0.43 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1om4 h ALA 358 CO 0.01 0.54 0.12 -0.22 0.00 0.00 0.00 179.25 179.70 1om4 h LYS 359 N 0.99 0.44 -0.51 0.00 3.64 -0.51 0.21 116.57 120.83 1om4 h LYS 359 Ca 0.23 -0.08 0.06 0.00 -1.27 0.00 0.00 60.65 59.58 1om4 h LYS 359 Cb 0.25 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.95 1om4 h LYS 359 CO -0.01 0.46 0.23 1.49 -2.27 0.00 0.00 179.45 179.35 1om4 h GLU 360 N 0.33 0.43 0.24 1.90 4.81 -1.02 -0.33 114.58 120.93 1om4 h GLU 360 Ca 0.10 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1om4 h GLU 360 Cb 0.18 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1om4 h GLU 360 CO -0.01 0.29 -0.12 0.35 -0.73 0.00 0.00 179.01 178.79 1om4 h PHE 361 N 0.44 -0.30 -0.68 0.92 3.57 -1.11 -2.63 116.94 117.15 1om4 h PHE 361 Ca 0.24 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.78 1om4 h PHE 361 Cb 0.20 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 1om4 h PHE 361 CO -0.13 -0.02 0.45 -0.07 -2.23 0.00 0.00 178.31 176.31 1om4 h LEU 362 N -0.56 0.66 -0.41 0.59 3.38 -0.80 -0.43 115.31 117.74 1om4 h LEU 362 Ca -0.03 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1om4 h LEU 362 Cb 0.41 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1om4 h LEU 362 CO 0.05 0.44 0.21 0.44 0.09 0.00 0.00 178.44 179.68 1om4 h ASP 363 N 0.76 0.53 0.04 -0.43 3.32 -0.98 -0.45 116.42 119.21 1om4 h ASP 363 Ca 0.28 -0.11 -0.10 0.00 0.02 0.00 0.00 57.03 57.12 1om4 h ASP 363 Cb 0.16 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1om4 h ASP 363 CO -0.08 0.49 -0.31 0.06 -1.72 0.00 0.00 179.24 177.68 1om4 h GLN 364 N 0.53 0.40 0.28 3.56 3.07 -0.95 -1.33 115.11 120.66 1om4 h GLN 364 Ca 0.14 -0.16 -0.01 0.00 0.09 0.00 0.00 58.65 58.71 1om4 h GLN 364 Cb 0.09 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 27.64 1om4 h GLN 364 CO -0.02 0.67 -0.14 -0.92 0.09 0.00 0.00 178.83 178.51 1om4 h TYR 365 N 0.35 -0.35 0.00 0.06 3.20 -0.66 -0.12 116.97 119.45 1om4 h TYR 365 Ca 0.05 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 1om4 h TYR 365 Cb 0.72 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.09 1om4 h TYR 365 CO 0.02 -0.07 -0.21 1.88 -1.64 0.00 0.00 178.16 178.14 1om4 h TYR 366 N -0.60 0.00 -0.44 -3.82 -1.99 -1.06 -1.07 116.97 108.00 1om4 h TYR 366 Ca -0.04 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.56 1om4 h TYR 366 Cb 0.43 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.15 1om4 h TYR 366 CO -0.00 0.21 -0.24 1.03 -0.00 0.00 0.00 178.16 179.16 1om4 h SER 367 N 0.00 0.94 0.33 3.88 0.87 -1.04 0.14 113.55 118.68 1om4 h SER 367 Ca -0.00 -0.36 -0.05 0.00 -1.23 0.00 0.00 61.79 60.15 1om4 h SER 367 Cb 0.38 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1om4 h SER 367 CO 0.03 1.13 -0.23 0.77 -0.53 0.00 0.00 176.83 178.00 1om4 h SER 368 N 0.79 0.00 -0.57 6.23 4.64 0.24 -2.06 113.55 122.82 1om4 h SER 368 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1om4 h SER 368 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1om4 h SER 368 CO 0.07 0.23 0.00 2.30 -0.87 0.00 0.00 176.83 178.56 1om4 n ILE 369 N -4.00 2.57 -3.88 0.95 -5.35 -0.79 -4.94 119.36 103.93 1om4 n ILE 369 Ca -0.02 -1.34 -0.28 0.00 -0.27 0.00 0.00 62.75 60.85 1om4 n ILE 369 Cb 0.30 -0.23 0.02 0.00 -1.74 0.00 0.00 39.64 37.99 1om4 n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1om4 n LYS 370 N 0.68 -5.03 -1.84 6.28 5.02 -0.78 -4.88 118.16 117.62 1om4 n LYS 370 Ca 0.27 0.57 0.02 0.00 -2.02 0.00 0.00 58.31 57.15 1om4 n LYS 370 Cb 1.14 -5.30 0.04 0.00 -0.02 0.00 0.00 35.03 30.89 1om4 n LYS 370 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1om4 n ARG 371 N -4.53 0.68 -2.10 1.97 1.74 0.47 -5.03 116.66 109.85 1om4 n ARG 371 Ca -0.08 -2.56 -0.42 0.00 -0.77 0.00 0.00 57.85 54.02 1om4 n ARG 371 Cb 0.58 -0.61 -0.03 0.00 -1.02 0.00 0.00 32.46 31.38 1om4 n ARG 371 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1om4 s PHE 372 N -1.36 3.19 -0.36 -1.55 5.36 -1.12 -2.30 117.98 119.84 1om4 s PHE 372 Ca 0.33 0.87 0.00 0.00 -0.96 0.00 0.00 56.93 57.17 1om4 s PHE 372 Cb 0.37 -3.75 0.00 0.00 -0.34 0.00 0.00 43.02 39.30 1om4 s PHE 372 CO -0.12 -2.65 0.00 0.41 -1.46 0.00 0.00 175.22 171.39 1om4 n GLY 373 N 3.51 0.65 3.95 13.12 0.00 -1.26 -5.02 105.19 120.13 1om4 n GLY 373 Ca 0.12 -0.64 -0.25 0.00 0.00 0.00 0.00 46.02 45.25 1om4 n GLY 373 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1om4 s SER 374 N -2.71 4.77 0.16 1.61 1.04 -0.97 -4.90 113.70 112.70 1om4 s SER 374 Ca 0.00 0.22 -0.11 0.00 0.48 0.00 0.00 55.95 56.55 1om4 s SER 374 Cb 0.00 -0.86 0.04 0.00 0.10 0.00 0.00 66.02 65.30 1om4 s SER 374 CO 0.00 -1.59 1.61 0.50 0.98 0.00 0.00 173.24 174.75 1om4 h LYS 375 N -0.49 0.98 -0.62 4.02 3.64 -1.96 -0.73 116.57 121.41 1om4 h LYS 375 Ca -0.43 -0.32 0.03 0.00 -1.27 0.00 0.00 60.65 58.66 1om4 h LYS 375 Cb 1.30 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 33.00 1om4 h LYS 375 CO 0.54 0.99 0.38 0.00 -2.27 0.00 0.00 179.45 179.09 1om4 h ALA 376 N 0.95 0.80 0.49 5.00 0.00 -1.94 0.66 119.26 125.22 1om4 h ALA 376 Ca 0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1om4 h ALA 376 Cb 0.56 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1om4 h ALA 376 CO 0.03 0.12 -0.29 1.25 0.00 0.00 0.00 179.25 180.36 1om4 h HIS 377 N 0.74 -0.75 -0.81 0.00 -0.00 -1.70 -0.80 115.15 111.83 1om4 h HIS 377 Ca 0.25 -0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.62 1om4 h HIS 377 Cb 0.03 0.26 -0.04 0.00 -0.00 0.00 0.00 27.41 27.67 1om4 h HIS 377 CO -0.05 -0.44 0.54 0.52 -0.00 0.00 0.00 177.93 178.49 1om4 h MET 378 N -0.73 1.06 0.45 5.26 2.07 -0.70 -1.23 114.93 121.11 1om4 h MET 378 Ca -0.06 -0.06 -0.02 0.00 -2.07 0.00 0.00 59.70 57.49 1om4 h MET 378 Cb 0.59 -0.24 0.00 0.00 -1.87 0.00 0.00 31.60 30.09 1om4 h MET 378 CO 0.07 0.70 -0.22 -0.44 1.07 0.00 0.00 176.91 178.09 1om4 h ASP 379 N 1.10 -0.51 -0.51 1.22 3.45 0.61 -1.52 116.42 120.25 1om4 h ASP 379 Ca 0.30 -0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.72 1om4 h ASP 379 Cb -0.13 0.13 -0.03 0.00 -0.56 0.00 0.00 39.33 38.75 1om4 h ASP 379 CO -0.06 -0.31 0.29 -0.09 -1.57 0.00 0.00 179.24 177.50 1om4 h ARG 380 N -0.69 0.73 0.00 3.56 9.65 -1.03 0.20 114.38 126.80 1om4 h ARG 380 Ca -0.06 -0.07 -0.06 0.00 -1.10 0.00 0.00 59.98 58.69 1om4 h ARG 380 Cb 0.51 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.93 1om4 h ARG 380 CO 0.10 0.54 -0.28 1.25 2.80 0.00 0.00 179.97 184.38 1om4 h LEU 381 N 0.74 0.00 0.18 3.80 5.85 -0.98 -1.76 115.31 123.13 1om4 h LEU 381 Ca 0.19 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.57 1om4 h LEU 381 Cb 0.02 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.06 1om4 h LEU 381 CO -0.03 0.28 -1.70 -0.08 -0.34 0.00 0.00 178.44 176.56 1om4 h GLU 382 N 0.00 0.37 -0.69 1.25 4.57 -0.20 -3.10 114.58 116.79 1om4 h GLU 382 Ca -0.00 -0.63 0.05 0.00 -1.18 0.00 0.00 59.36 57.59 1om4 h GLU 382 Cb 0.50 0.24 -0.05 0.00 -0.16 0.00 0.00 28.75 29.28 1om4 h GLU 382 CO 0.04 1.28 0.41 1.49 -1.18 0.00 0.00 179.01 181.04 1om4 h GLU 383 N 0.10 0.75 -0.40 1.92 4.81 -0.85 0.34 114.58 121.25 1om4 h GLU 383 Ca -0.32 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 58.72 1om4 h GLU 383 Cb 2.09 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 31.29 1om4 h GLU 383 CO 0.18 0.50 -0.30 0.28 -0.73 0.00 0.00 179.01 178.94 1om4 h VAL 384 N 0.78 1.28 -0.27 0.32 2.07 -1.45 -0.87 116.25 118.10 1om4 h VAL 384 Ca 0.29 -1.46 0.03 0.00 0.82 0.00 0.00 66.70 66.38 1om4 h VAL 384 Cb 0.11 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1om4 h VAL 384 CO -0.14 0.49 0.07 -1.13 0.02 0.00 0.00 177.57 176.88 1om4 h ASN 385 N 0.73 0.06 -0.79 0.57 -0.73 -1.31 0.20 115.58 114.31 1om4 h ASN 385 Ca 0.08 0.03 -0.02 0.00 1.87 0.00 0.00 56.30 58.26 1om4 h ASN 385 Cb 0.88 0.03 -0.04 0.00 0.27 0.00 0.00 38.32 39.47 1om4 h ASN 385 CO 0.08 0.07 0.41 0.11 -0.37 0.00 0.00 177.43 177.72 1om4 h LYS 386 N 0.18 1.12 -0.56 6.67 1.57 -0.84 -1.07 116.57 123.65 1om4 h LYS 386 Ca 0.12 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1om4 h LYS 386 Cb 0.10 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1om4 h LYS 386 CO -0.14 0.85 0.10 1.49 -0.57 0.00 0.00 179.45 181.18 1om4 h GLU 387 N 1.10 0.92 -0.13 3.15 4.81 -0.46 -0.62 114.58 123.35 1om4 h GLU 387 Ca 0.27 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1om4 h GLU 387 Cb 0.08 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 1om4 h GLU 387 CO -0.04 0.88 -0.00 0.82 -0.73 0.00 0.00 179.01 179.94 1om4 h ILE 388 N 0.81 1.25 -0.06 2.32 2.04 -0.37 0.83 117.51 124.34 1om4 h ILE 388 Ca 0.17 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 1om4 h ILE 388 Cb 0.40 1.54 -0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1om4 h ILE 388 CO 0.01 0.24 -0.03 -0.08 0.00 0.00 0.00 178.15 178.29 1om4 h GLU 389 N -0.03 0.08 0.12 2.37 4.22 -1.12 1.31 114.58 121.52 1om4 h GLU 389 Ca 0.04 -0.01 -0.33 0.00 0.08 0.00 0.00 59.36 59.14 1om4 h GLU 389 Cb 0.37 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1om4 h GLU 389 CO 0.01 0.11 -1.78 1.03 -2.18 0.00 0.00 179.01 176.20 1om4 h SER 390 N 0.08 0.40 -0.18 1.04 0.87 -0.82 -3.40 113.55 111.53 1om4 h SER 390 Ca 0.02 -0.88 0.00 0.00 -1.23 0.00 0.00 61.79 59.69 1om4 h SER 390 Cb 0.10 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1om4 h SER 390 CO 0.00 1.77 0.00 0.35 -0.53 0.00 0.00 176.83 178.42 1om4 n THR 391 N -3.69 0.65 -1.04 2.23 -2.24 0.29 -4.97 114.28 105.52 1om4 n THR 391 Ca -0.30 -0.83 -0.01 0.00 -2.27 0.00 0.00 64.05 60.64 1om4 n THR 391 Cb 0.99 0.74 -0.01 0.00 -2.10 0.00 0.00 70.33 69.95 1om4 n THR 391 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1om4 n SER 392 N 0.36 -5.63 -1.96 3.42 3.41 0.45 -4.85 113.62 108.83 1om4 n SER 392 Ca 0.08 0.03 -0.02 0.00 -0.26 0.00 0.00 58.87 58.69 1om4 n SER 392 Cb 0.33 -3.23 0.01 0.00 -0.26 0.00 0.00 64.21 61.06 1om4 n SER 392 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1om4 n THR 393 N -2.14 0.00 -3.77 6.66 5.66 -1.23 -4.75 114.28 114.71 1om4 n THR 393 Ca -0.01 -0.31 -0.09 0.00 -3.05 0.00 0.00 64.05 60.58 1om4 n THR 393 Cb 0.45 0.38 -0.03 0.00 -1.55 0.00 0.00 70.33 69.57 1om4 n THR 393 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1om4 s TYR 394 N -4.79 -0.11 -0.06 1.09 -0.85 -1.26 -2.91 117.35 108.46 1om4 s TYR 394 Ca 0.09 -0.25 0.02 0.00 -0.52 0.00 0.00 57.07 56.42 1om4 s TYR 394 Cb -0.02 0.44 -0.03 0.00 0.38 0.00 0.00 41.96 42.74 1om4 s TYR 394 CO 0.03 -0.98 -0.12 -0.65 -1.52 0.00 0.00 175.55 172.31 1om4 s GLN 395 N -3.89 2.68 0.38 -3.49 -1.52 -1.26 -5.05 119.66 107.51 1om4 s GLN 395 Ca 0.10 -0.66 -0.18 0.00 -1.95 0.00 0.00 55.36 52.67 1om4 s GLN 395 Cb -0.02 -2.46 -0.10 0.00 -0.22 0.00 0.00 33.01 30.21 1om4 s GLN 395 CO -0.00 0.58 0.85 -0.51 -0.25 0.00 0.00 175.29 175.95 1om4 s LEU 396 N -0.61 4.00 0.57 2.90 1.43 -1.26 -5.06 118.68 120.65 1om4 s LEU 396 Ca 0.09 1.49 -0.15 0.00 -1.03 0.00 0.00 54.13 54.54 1om4 s LEU 396 Cb -0.11 -4.32 -0.05 0.00 0.03 0.00 0.00 46.19 41.73 1om4 s LEU 396 CO 0.01 -0.29 1.02 -0.54 0.23 0.00 0.00 176.35 176.78 1om4 s LYS 397 N -3.10 3.64 0.28 1.70 -0.14 -1.26 -4.84 119.74 116.03 1om4 s LYS 397 Ca 0.58 0.97 0.00 0.00 -1.36 0.00 0.00 55.97 56.17 1om4 s LYS 397 Cb -0.10 -2.09 0.52 0.00 -1.68 0.00 0.00 37.83 34.49 1om4 s LYS 397 CO 0.15 -0.53 1.85 -0.44 -0.76 0.00 0.00 175.35 175.62 1om4 h ASP 398 N 0.40 0.96 -0.87 2.83 3.32 -1.99 -0.33 116.42 120.75 1om4 h ASP 398 Ca -0.46 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 56.61 1om4 h ASP 398 Cb 1.20 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 40.55 1om4 h ASP 398 CO 0.60 0.53 0.47 0.71 -1.72 0.00 0.00 179.24 179.84 1om4 h THR 399 N 1.04 1.25 -0.25 0.35 1.35 -2.00 -1.72 112.91 112.94 1om4 h THR 399 Ca 0.48 -0.64 -0.14 0.00 -0.55 0.00 0.00 66.41 65.56 1om4 h THR 399 Cb 0.41 0.09 -0.01 0.00 -1.73 0.00 0.00 68.15 66.91 1om4 h THR 399 CO -0.24 0.29 -0.43 -0.33 -0.25 0.00 0.00 175.52 174.55 1om4 h GLU 400 N 1.21 0.62 -0.17 4.72 5.08 -1.55 -1.79 114.58 122.71 1om4 h GLU 400 Ca 0.31 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1om4 h GLU 400 Cb 0.04 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1om4 h GLU 400 CO -0.05 0.93 0.05 1.25 -1.00 0.00 0.00 179.01 180.19 1om4 h LEU 401 N 0.50 0.25 -0.43 1.33 5.85 -0.77 0.11 115.31 122.14 1om4 h LEU 401 Ca 0.04 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 1om4 h LEU 401 Cb 0.96 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 1om4 h LEU 401 CO 0.09 0.39 0.22 0.40 -0.34 0.00 0.00 178.44 179.20 1om4 h ILE 402 N 0.09 1.17 -0.53 4.05 2.04 -1.28 -0.75 117.51 122.31 1om4 h ILE 402 Ca 0.05 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 1om4 h ILE 402 Cb 0.23 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1om4 h ILE 402 CO -0.00 0.19 0.28 0.22 0.00 0.00 0.00 178.15 178.83 1om4 h TYR 403 N 0.56 0.73 -0.53 1.37 3.20 -1.22 -2.02 116.97 119.06 1om4 h TYR 403 Ca 0.15 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.96 1om4 h TYR 403 Cb 0.10 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 1om4 h TYR 403 CO -0.01 0.55 0.17 0.78 -1.64 0.00 0.00 178.16 178.00 1om4 h GLY 404 N 0.70 0.88 0.92 1.82 0.00 -0.45 -1.30 103.07 105.64 1om4 h GLY 404 Ca 0.18 -0.52 -0.07 0.00 0.00 0.00 0.00 47.33 46.93 1om4 h GLY 404 CO -0.03 0.49 -0.04 0.00 0.00 0.00 0.00 176.54 176.97 1om4 h ALA 405 N 1.03 0.48 -0.80 3.60 0.00 -1.07 -0.57 119.26 121.92 1om4 h ALA 405 Ca 0.17 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1om4 h ALA 405 Cb 0.28 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1om4 h ALA 405 CO -0.01 0.28 0.43 0.87 0.00 0.00 0.00 179.25 180.82 1om4 h LYS 406 N 0.44 1.12 0.00 0.00 1.57 -1.28 -2.43 116.57 115.99 1om4 h LYS 406 Ca 0.09 -0.13 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 1om4 h LYS 406 Cb 0.51 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1om4 h LYS 406 CO 0.02 0.82 -0.40 0.45 -0.57 0.00 0.00 179.45 179.78 1om4 h HIS 407 N 1.12 0.00 -0.31 -1.35 3.86 -1.01 -0.77 115.15 116.68 1om4 h HIS 407 Ca 0.28 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.41 1om4 h HIS 407 Cb 0.04 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 1om4 h HIS 407 CO 0.01 0.40 -0.14 0.00 0.86 0.00 0.00 177.93 179.05 1om4 h ALA 408 N 1.60 1.17 -0.07 2.45 0.00 -0.63 0.79 119.26 124.57 1om4 h ALA 408 Ca -0.00 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 1om4 h ALA 408 Cb 1.08 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1om4 h ALA 408 CO 0.05 0.53 -0.33 2.35 0.00 0.00 0.00 179.25 181.85 1om4 h TRP 409 N 0.50 0.47 -0.73 0.00 7.01 -1.19 -2.49 115.95 119.51 1om4 h TRP 409 Ca 0.09 -0.20 0.12 0.00 2.11 0.00 0.00 58.89 61.01 1om4 h TRP 409 Cb 0.54 -0.07 -0.05 0.00 -2.10 0.00 0.00 29.16 27.48 1om4 h TRP 409 CO 0.02 0.94 0.49 -0.09 -2.79 0.00 0.00 178.44 177.01 1om4 h ARG 410 N -0.15 0.48 -0.01 2.65 2.43 -0.77 -1.34 114.38 117.69 1om4 h ARG 410 Ca -0.02 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1om4 h ARG 410 Cb 0.98 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 1om4 h ARG 410 CO 0.07 0.32 -0.23 0.09 -1.51 0.00 0.00 179.97 178.71 1om4 n ASN 411 N -4.49 0.77 -4.56 -3.80 3.02 0.24 -4.83 115.26 101.62 1om4 n ASN 411 Ca 0.13 -0.69 -0.31 0.00 -0.03 0.00 0.00 54.58 53.68 1om4 n ASN 411 Cb 0.44 0.06 -0.04 0.00 -0.61 0.00 0.00 39.78 39.63 1om4 n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1om4 s ALA 412 N -2.55 1.81 0.67 5.41 0.00 -0.51 -4.72 121.76 121.87 1om4 s ALA 412 Ca 0.24 -1.01 0.43 0.00 0.00 0.00 0.00 51.96 51.62 1om4 s ALA 412 Cb 0.19 -4.44 2.34 0.00 0.00 0.00 0.00 23.12 21.22 1om4 s ALA 412 CO 0.52 -4.48 2.32 0.66 0.00 0.00 0.00 175.76 174.79 1om4 h SER 413 N 13.43 0.00 -0.13 0.00 4.64 -1.88 -1.80 113.55 127.81 1om4 h SER 413 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1om4 h SER 413 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1om4 h SER 413 CO 1.20 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.70 1om4 n ARG 414 N -3.07 2.11 -3.55 4.77 1.74 -1.26 -0.51 116.66 116.89 1om4 n ARG 414 Ca -0.03 -1.65 -0.38 0.00 -0.77 0.00 0.00 57.85 55.03 1om4 n ARG 414 Cb 0.11 -1.47 -0.10 0.00 -1.02 0.00 0.00 32.46 29.98 1om4 n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1om4 h VAL 416 N 5.25 0.00 -0.58 0.00 3.04 -1.90 -3.34 116.25 118.71 1om4 h VAL 416 Ca -0.35 -0.61 -0.14 0.00 -1.01 0.00 0.00 66.70 64.60 1om4 h VAL 416 Cb 1.18 1.42 -0.08 0.00 -2.01 0.00 0.00 31.29 31.80 1om4 h VAL 416 CO 0.61 0.00 0.17 0.61 -1.01 0.00 0.00 177.57 177.95 1om4 n GLY 417 N 1.28 3.15 0.00 3.17 0.00 -1.26 -4.37 105.19 107.15 1om4 n GLY 417 Ca 0.04 -0.80 0.04 0.00 0.00 0.00 0.00 46.02 45.30 1om4 n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1om4 n ARG 418 N 0.08 0.14 0.31 1.61 1.74 -1.26 -2.13 116.66 117.15 1om4 n ARG 418 Ca 0.31 0.16 0.20 0.00 -0.77 0.00 0.00 57.85 57.76 1om4 n ARG 418 Cb 1.17 -1.50 0.98 0.00 -1.02 0.00 0.00 32.46 32.09 1om4 n ARG 418 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1om4 h ILE 419 N 0.00 0.02 -0.08 0.55 2.10 -1.88 -0.80 117.51 117.41 1om4 h ILE 419 Ca 0.00 -0.24 0.00 0.00 1.08 0.00 0.00 64.86 65.70 1om4 h ILE 419 Cb 0.05 1.23 0.00 0.00 -1.09 0.00 0.00 36.82 37.01 1om4 h ILE 419 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 1om4 n GLN 420 N -3.11 1.75 -0.33 2.19 1.13 -0.91 -4.63 117.38 113.47 1om4 n GLN 420 Ca -0.01 -1.10 0.17 0.00 -1.94 0.00 0.00 57.00 54.11 1om4 n GLN 420 Cb 0.18 -1.45 0.37 0.00 0.11 0.00 0.00 30.24 29.45 1om4 n GLN 420 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 1om4 h TRP 421 N 2.48 0.88 0.00 1.08 5.08 -1.34 -0.71 115.95 123.42 1om4 h TRP 421 Ca 0.00 0.04 0.00 0.00 1.08 0.00 0.00 58.89 60.01 1om4 h TRP 421 Cb 0.53 -0.24 0.00 0.00 -3.00 0.00 0.00 29.16 26.46 1om4 h TRP 421 CO 0.05 -0.01 0.00 -1.13 -1.28 0.00 0.00 178.44 176.07 1om4 n SER 422 N -4.96 0.75 -4.30 0.11 3.41 -1.26 -4.16 113.62 103.21 1om4 n SER 422 Ca 0.26 0.63 -0.44 0.00 -0.26 0.00 0.00 58.87 59.06 1om4 n SER 422 Cb 0.75 -0.81 -0.01 0.00 -0.26 0.00 0.00 64.21 63.88 1om4 n SER 422 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1om4 s LYS 423 N -3.22 3.95 -0.04 4.33 1.02 -0.27 -4.98 119.74 120.53 1om4 s LYS 423 Ca 0.07 -3.10 0.00 0.00 0.02 0.00 0.00 55.97 52.96 1om4 s LYS 423 Cb 0.11 -4.44 0.03 0.00 -0.52 0.00 0.00 37.83 33.01 1om4 s LYS 423 CO 0.49 -1.25 -0.01 -1.17 -0.92 0.00 0.00 175.35 172.49 1om4 s LEU 424 N -1.03 1.01 -0.19 3.17 2.96 -1.26 -4.62 118.68 118.72 1om4 s LEU 424 Ca 0.28 -0.06 -0.24 0.00 -0.22 0.00 0.00 54.13 53.89 1om4 s LEU 424 Cb -0.10 -0.33 -0.02 0.00 0.50 0.00 0.00 46.19 46.25 1om4 s LEU 424 CO -0.09 -0.12 0.77 -1.58 -1.32 0.00 0.00 176.35 174.02 1om4 s GLN 425 N 1.29 4.25 -0.25 1.98 2.00 -0.80 -4.97 119.66 123.16 1om4 s GLN 425 Ca -0.06 0.89 -0.07 0.00 -2.00 0.00 0.00 55.36 54.12 1om4 s GLN 425 Cb -0.13 -3.59 -0.03 0.00 0.80 0.00 0.00 33.01 30.06 1om4 s GLN 425 CO -0.02 -0.34 0.07 0.08 -0.50 0.00 0.00 175.29 174.58 1om4 s VAL 426 N 2.22 4.29 -0.33 1.34 1.01 -1.26 -1.19 120.40 126.48 1om4 s VAL 426 Ca 0.35 -0.20 -0.11 0.00 0.00 0.00 0.00 61.98 62.02 1om4 s VAL 426 Cb -0.16 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 1om4 s VAL 426 CO 0.11 0.33 0.20 -0.36 0.00 0.00 0.00 175.10 175.38 1om4 s PHE 427 N 1.61 3.21 -0.65 5.22 0.08 0.46 -4.99 117.98 122.92 1om4 s PHE 427 Ca 0.06 -0.47 -0.27 0.00 0.12 0.00 0.00 56.93 56.38 1om4 s PHE 427 Cb -0.15 -2.43 0.04 0.00 -0.57 0.00 0.00 43.02 39.91 1om4 s PHE 427 CO 0.04 -0.45 1.18 0.34 -0.10 0.00 0.00 175.22 176.23 1om4 s ASP 428 N 1.65 6.28 -0.30 1.36 3.68 -1.26 -1.06 116.67 127.03 1om4 s ASP 428 Ca 0.05 -0.30 0.10 0.00 2.13 0.00 0.00 52.55 54.53 1om4 s ASP 428 Cb -0.18 -2.53 0.56 0.00 -1.45 0.00 0.00 42.92 39.33 1om4 s ASP 428 CO 0.08 -1.60 1.56 0.00 0.13 0.00 0.00 175.17 175.34 1om4 n ALA 429 N 8.65 4.26 0.47 3.66 0.00 0.90 -4.63 120.51 133.83 1om4 n ALA 429 Ca 0.04 -2.84 0.06 0.00 0.00 0.00 0.00 53.44 50.70 1om4 n ALA 429 Cb 0.48 -0.90 0.28 0.00 0.00 0.00 0.00 19.45 19.32 1om4 n ALA 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1om4 n ARG 430 N -0.90 0.04 -0.01 0.00 1.74 -1.08 -1.74 116.66 114.72 1om4 n ARG 430 Ca 0.36 0.26 0.13 0.00 -0.77 0.00 0.00 57.85 57.83 1om4 n ARG 430 Cb 1.15 -1.50 0.42 0.00 -1.02 0.00 0.00 32.46 31.50 1om4 n ARG 430 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1om4 n ASP 431 N -1.46 1.88 -4.77 0.55 3.85 -1.26 -4.50 116.55 110.85 1om4 n ASP 431 Ca 0.04 -1.63 -0.39 0.00 -0.71 0.00 0.00 54.79 52.09 1om4 n ASP 431 Cb 0.14 -0.01 -0.01 0.00 -1.35 0.00 0.00 41.12 39.89 1om4 n ASP 431 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1om4 n THR 433 N 0.18 0.00 -4.42 0.00 -2.24 -1.26 -4.78 114.28 101.76 1om4 n THR 433 Ca 0.04 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.61 1om4 n THR 433 Cb 0.45 0.05 -0.10 0.00 -2.10 0.00 0.00 70.33 68.62 1om4 n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1om4 s THR 434 N -1.10 1.19 0.29 4.28 -4.23 -1.26 -4.57 115.64 110.23 1om4 s THR 434 Ca 0.00 -2.02 0.04 0.00 -1.18 0.00 0.00 61.69 58.52 1om4 s THR 434 Cb 0.00 -2.68 0.07 0.00 1.34 0.00 0.00 72.50 71.24 1om4 s THR 434 CO 0.00 -0.09 1.73 0.00 -0.54 0.00 0.00 174.62 175.73 1om4 h ALA 435 N 2.20 1.13 -0.34 3.99 0.00 -1.90 -1.53 119.26 122.82 1om4 h ALA 435 Ca -0.40 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.07 1om4 h ALA 435 Cb 1.24 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1om4 h ALA 435 CO 0.68 0.55 -0.21 0.45 0.00 0.00 0.00 179.25 180.72 1om4 h HIS 436 N 0.38 0.73 -0.68 0.00 -0.00 -1.96 0.16 115.15 113.78 1om4 h HIS 436 Ca 0.06 -0.15 -0.06 0.00 -0.00 0.00 0.00 60.37 60.21 1om4 h HIS 436 Cb 0.66 -0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 27.86 1om4 h HIS 436 CO 0.02 0.81 0.18 0.78 -0.00 0.00 0.00 177.93 179.72 1om4 h GLY 437 N 0.99 1.14 1.02 2.45 0.00 -1.84 -1.16 103.07 105.66 1om4 h GLY 437 Ca 0.09 -0.69 -0.06 0.00 0.00 0.00 0.00 47.33 46.67 1om4 h GLY 437 CO 0.05 0.64 0.10 -0.33 0.00 0.00 0.00 176.54 177.00 1om4 h MET 438 N 1.02 0.93 -0.44 4.80 0.00 -0.74 -1.39 114.93 119.12 1om4 h MET 438 Ca 0.22 -0.24 0.01 0.00 0.00 0.00 0.00 59.70 59.69 1om4 h MET 438 Cb 0.33 -0.11 -0.03 0.00 0.00 0.00 0.00 31.60 31.79 1om4 h MET 438 CO -0.00 0.89 0.27 0.35 0.00 0.00 0.00 176.91 178.42 1om4 h PHE 439 N 0.83 0.51 -0.11 -0.22 -0.00 -0.51 -0.01 116.94 117.43 1om4 h PHE 439 Ca 0.17 0.01 0.01 0.00 -0.00 0.00 0.00 57.97 58.17 1om4 h PHE 439 Cb 0.40 -0.17 -0.01 0.00 -0.00 0.00 0.00 35.95 36.17 1om4 h PHE 439 CO 0.03 0.31 0.05 -0.97 -0.00 0.00 0.00 178.31 177.72 1om4 h ASN 440 N 0.55 0.07 -0.82 0.41 -1.24 -0.92 0.20 115.58 113.84 1om4 h ASN 440 Ca 0.17 0.01 0.02 0.00 0.71 0.00 0.00 56.30 57.20 1om4 h ASN 440 Cb -0.02 -0.01 -0.04 0.00 0.73 0.00 0.00 38.32 38.98 1om4 h ASN 440 CO -0.06 0.06 0.53 1.88 -1.29 0.00 0.00 177.43 178.55 1om4 h TYR 441 N 0.11 1.01 -0.48 0.67 -1.99 -0.97 -1.82 116.97 113.50 1om4 h TYR 441 Ca 0.05 0.02 -0.06 0.00 2.00 0.00 0.00 58.73 60.74 1om4 h TYR 441 Cb 0.01 -0.34 -0.02 0.00 2.00 0.00 0.00 36.73 38.39 1om4 h TYR 441 CO -0.09 0.61 0.07 0.82 -0.00 0.00 0.00 178.16 179.57 1om4 h ILE 442 N 1.07 1.25 -0.68 -2.88 2.04 -0.58 -0.89 117.51 116.83 1om4 h ILE 442 Ca 0.31 -0.94 0.01 0.00 1.00 0.00 0.00 64.86 65.23 1om4 h ILE 442 Cb -0.07 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 1om4 h ILE 442 CO -0.09 0.33 0.45 0.00 0.00 0.00 0.00 178.15 178.85 1om4 h ASN 444 N 0.93 0.86 0.04 0.00 2.35 -1.05 -0.19 115.58 118.51 1om4 h ASN 444 Ca 0.25 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1om4 h ASN 444 Cb -0.11 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.04 1om4 h ASN 444 CO -0.05 0.83 -0.02 -0.74 -1.65 0.00 0.00 177.43 175.80 1om4 h HIS 445 N 0.88 -0.05 -0.57 1.19 -0.00 -0.55 -0.62 115.15 115.43 1om4 h HIS 445 Ca 0.19 -0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.63 1om4 h HIS 445 Cb 0.32 0.02 -0.06 0.00 -0.00 0.00 0.00 27.41 27.68 1om4 h HIS 445 CO 0.02 0.22 0.24 0.28 -0.00 0.00 0.00 177.93 178.69 1om4 h VAL 446 N -0.32 0.85 -0.40 5.26 2.07 -0.51 0.87 116.25 124.07 1om4 h VAL 446 Ca -0.01 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.31 1om4 h VAL 446 Cb 0.29 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1om4 h VAL 446 CO 0.01 0.08 0.04 0.50 0.02 0.00 0.00 177.57 178.22 1om4 h LYS 447 N 0.45 0.68 -0.06 1.57 3.64 -0.95 -0.61 116.57 121.29 1om4 h LYS 447 Ca 0.27 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1om4 h LYS 447 Cb 0.27 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1om4 h LYS 447 CO -0.24 0.75 0.02 -0.92 -2.27 0.00 0.00 179.45 176.78 1om4 h TYR 448 N 0.52 0.10 -0.43 1.91 3.20 -0.71 -2.34 116.97 119.22 1om4 h TYR 448 Ca 0.12 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.88 1om4 h TYR 448 Cb 0.41 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 1om4 h TYR 448 CO 0.03 0.27 -0.13 0.00 -1.64 0.00 0.00 178.16 176.69 1om4 h ALA 449 N 0.82 0.96 -0.35 1.82 0.00 -0.83 -3.12 119.26 118.56 1om4 h ALA 449 Ca 0.02 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 1om4 h ALA 449 Cb 0.22 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1om4 h ALA 449 CO -0.00 0.61 -0.05 1.15 0.00 0.00 0.00 179.25 180.95 1om4 h THR 450 N 0.71 1.27 -6.87 0.00 2.02 -1.10 -0.30 112.91 108.65 1om4 h THR 450 Ca 0.12 -1.09 -0.57 0.00 0.77 0.00 0.00 66.41 65.63 1om4 h THR 450 Cb 0.62 1.27 -0.21 0.00 -1.74 0.00 0.00 68.15 68.09 1om4 h THR 450 CO 0.04 0.36 -0.90 -3.20 0.37 0.00 0.00 175.52 172.19 1om4 n ASN 451 N -4.44 -1.15 -2.34 4.18 4.05 -0.89 -0.40 115.26 114.27 1om4 n ASN 451 Ca -0.02 -1.13 -0.19 0.00 0.45 0.00 0.00 54.58 53.69 1om4 n ASN 451 Cb 0.32 -2.29 -0.01 0.00 1.23 0.00 0.00 39.78 39.02 1om4 n ASN 451 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1om4 n LYS 452 N -4.38 -1.77 0.00 1.20 5.02 -1.26 -2.06 118.16 114.91 1om4 n LYS 452 Ca -0.12 0.94 0.00 0.00 -2.02 0.00 0.00 58.31 57.11 1om4 n LYS 452 Cb 0.59 -5.57 0.00 0.00 -0.02 0.00 0.00 35.03 30.03 1om4 n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1om4 n GLY 453 N -0.92 2.48 2.92 0.72 0.00 0.46 -4.93 105.19 105.92 1om4 n GLY 453 Ca -0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 1om4 n GLY 453 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1om4 n ASN 454 N 0.00 5.20 -4.56 1.61 4.05 -0.87 -0.92 115.26 119.77 1om4 n ASN 454 Ca 0.00 -3.12 -0.45 0.00 0.45 0.00 0.00 54.58 51.46 1om4 n ASN 454 Cb 0.00 -1.47 -0.02 0.00 1.23 0.00 0.00 39.78 39.53 1om4 n ASN 454 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1om4 n LEU 455 N 3.79 1.34 -3.95 1.20 4.77 -1.23 -4.53 117.00 118.39 1om4 n LEU 455 Ca 0.38 1.16 -0.24 0.00 -0.03 0.00 0.00 56.01 57.29 1om4 n LEU 455 Cb 0.36 -1.24 -0.17 0.00 -2.33 0.00 0.00 43.42 40.05 1om4 n LEU 455 CO 0.80 -1.66 -0.44 -0.13 -1.33 0.00 0.00 177.39 174.63 1om4 s ARG 456 N -1.49 1.37 0.38 3.23 0.52 -0.12 -5.01 118.95 117.83 1om4 s ARG 456 Ca 0.59 -0.27 -0.28 0.00 -0.52 0.00 0.00 55.73 55.25 1om4 s ARG 456 Cb -0.73 -1.26 -0.11 0.00 0.52 0.00 0.00 34.95 33.37 1om4 s ARG 456 CO 0.59 -0.07 1.45 -1.12 0.02 0.00 0.00 175.30 176.17 1om4 s SER 457 N 0.99 6.38 0.19 0.23 0.01 -1.26 -4.40 113.70 115.84 1om4 s SER 457 Ca -0.09 2.97 -0.22 0.00 1.31 0.00 0.00 55.95 59.92 1om4 s SER 457 Cb -0.15 -2.66 0.06 0.00 0.21 0.00 0.00 66.02 63.48 1om4 s SER 457 CO 0.00 -0.84 0.63 0.00 0.41 0.00 0.00 173.24 173.44 1om4 s ALA 458 N -1.13 -1.49 -0.05 1.44 0.00 -0.47 -1.91 121.76 118.15 1om4 s ALA 458 Ca 0.53 0.27 -0.09 0.00 0.00 0.00 0.00 51.96 52.67 1om4 s ALA 458 Cb -0.45 0.88 0.02 0.00 0.00 0.00 0.00 23.12 23.57 1om4 s ALA 458 CO 0.61 -0.84 0.21 -1.50 0.00 0.00 0.00 175.76 174.24 1om4 s ILE 459 N -3.80 0.03 -0.15 0.00 2.07 -0.33 -0.83 121.20 118.19 1om4 s ILE 459 Ca 0.04 -0.27 0.02 0.00 -1.41 0.00 0.00 60.65 59.03 1om4 s ILE 459 Cb -0.02 -0.40 0.01 0.00 0.13 0.00 0.00 42.46 42.18 1om4 s ILE 459 CO -0.08 -0.15 -0.20 -0.89 -1.91 0.00 0.00 174.94 171.71 1om4 s THR 460 N -0.52 2.16 -0.28 4.00 2.01 -0.51 -0.40 115.64 122.10 1om4 s THR 460 Ca -0.06 -0.94 -0.05 0.00 0.31 0.00 0.00 61.69 60.95 1om4 s THR 460 Cb -0.04 -1.88 0.01 0.00 0.01 0.00 0.00 72.50 70.61 1om4 s THR 460 CO 0.01 0.54 0.04 -0.63 -0.69 0.00 0.00 174.62 173.90 1om4 s ILE 461 N 0.91 3.67 0.71 1.82 1.01 -0.23 -3.17 121.20 125.92 1om4 s ILE 461 Ca -0.05 -0.79 -0.03 0.00 0.00 0.00 0.00 60.65 59.79 1om4 s ILE 461 Cb -0.15 -2.89 0.10 0.00 0.01 0.00 0.00 42.46 39.53 1om4 s ILE 461 CO -0.04 0.11 0.99 -0.36 0.00 0.00 0.00 174.94 175.64 1om4 s PHE 462 N 1.45 2.14 0.27 3.97 0.08 -0.88 -0.07 117.98 124.94 1om4 s PHE 462 Ca 0.02 -0.01 -0.29 0.00 0.12 0.00 0.00 56.93 56.77 1om4 s PHE 462 Cb -0.17 -3.10 -0.14 0.00 -0.57 0.00 0.00 43.02 39.03 1om4 s PHE 462 CO 0.01 -1.57 1.04 -2.30 -0.10 0.00 0.00 175.22 172.30 1om4 n PRO 463 N -2.85 1.35 -1.31 0.24 -0.02 -1.25 -4.66 135.00 126.50 1om4 n PRO 463 Ca 0.12 0.47 -0.31 0.00 -2.02 0.00 0.00 63.50 61.77 1om4 n PRO 463 Cb 0.60 -1.87 0.09 0.00 -0.02 0.00 0.00 33.50 32.31 1om4 n PRO 463 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1om4 s GLN 464 N -1.37 2.16 0.42 -0.52 -2.07 -1.26 -4.57 119.66 112.46 1om4 s GLN 464 Ca 0.61 1.05 -0.26 0.00 -1.82 0.00 0.00 55.36 54.94 1om4 s GLN 464 Cb -0.72 -1.90 -0.08 0.00 -1.09 0.00 0.00 33.01 29.22 1om4 s GLN 464 CO 0.59 -1.67 1.30 0.50 -1.32 0.00 0.00 175.29 174.69 1om4 s ARG 465 N -4.94 3.90 0.00 9.60 3.52 0.15 -4.92 118.95 126.25 1om4 s ARG 465 Ca 0.61 2.15 0.00 0.00 -0.13 0.00 0.00 55.73 58.36 1om4 s ARG 465 Cb -0.17 -2.70 0.00 0.00 -1.56 0.00 0.00 34.95 30.52 1om4 s ARG 465 CO 0.56 -0.55 0.00 0.25 -0.81 0.00 0.00 175.30 174.75 1om4 n THR 466 N 0.01 0.00 -0.14 4.11 -2.24 -1.26 -4.77 114.28 109.99 1om4 n THR 466 Ca 0.04 0.09 0.02 0.00 -2.27 0.00 0.00 64.05 61.94 1om4 n THR 466 Cb 0.44 -0.94 0.06 0.00 -2.10 0.00 0.00 70.33 67.79 1om4 n THR 466 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1om4 n ASP 467 N -1.82 2.35 0.00 3.42 5.75 -1.26 -4.96 116.55 120.03 1om4 n ASP 467 Ca 0.00 -2.08 0.00 0.00 -0.01 0.00 0.00 54.79 52.70 1om4 n ASP 467 Cb 0.00 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 1om4 n ASP 467 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1om4 n GLY 468 N -0.24 1.66 0.75 6.12 0.00 -1.26 -4.77 105.19 107.45 1om4 n GLY 468 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.14 1om4 n GLY 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1om4 n LYS 469 N -2.00 2.42 -2.73 1.61 5.02 -1.26 -4.46 118.16 116.77 1om4 n LYS 469 Ca 0.00 -2.00 0.00 0.00 -2.02 0.00 0.00 58.31 54.29 1om4 n LYS 469 Cb 0.00 -1.32 0.05 0.00 -0.02 0.00 0.00 35.03 33.74 1om4 n LYS 469 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1om4 n HIS 470 N 0.78 1.03 -2.74 2.13 8.25 -1.26 -4.44 115.22 118.97 1om4 n HIS 470 Ca 0.13 -2.00 -0.38 0.00 -0.26 0.00 0.00 57.72 55.21 1om4 n HIS 470 Cb 0.44 -0.15 -0.06 0.00 1.12 0.00 0.00 29.99 31.34 1om4 n HIS 470 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1om4 s ASP 471 N -3.56 7.39 0.01 0.41 1.01 -1.26 -3.86 116.67 116.81 1om4 s ASP 471 Ca 0.27 1.91 -0.17 0.00 0.71 0.00 0.00 52.55 55.27 1om4 s ASP 471 Cb 0.33 -2.59 -0.06 0.00 1.01 0.00 0.00 42.92 41.61 1om4 s ASP 471 CO -0.05 -0.03 0.50 -0.36 0.21 0.00 0.00 175.17 175.43 1om4 s PHE 472 N -1.45 3.73 -0.11 4.23 0.40 -1.26 -2.24 117.98 121.27 1om4 s PHE 472 Ca 0.47 1.11 -0.11 0.00 -0.60 0.00 0.00 56.93 57.80 1om4 s PHE 472 Cb -0.22 -2.43 0.03 0.00 0.51 0.00 0.00 43.02 40.91 1om4 s PHE 472 CO 0.28 0.53 0.31 1.03 0.70 0.00 0.00 175.22 178.07 1om4 s ARG 473 N -0.78 0.37 -0.38 0.44 1.81 -0.05 -3.38 118.95 116.97 1om4 s ARG 473 Ca 0.27 0.42 -0.13 0.00 -1.72 0.00 0.00 55.73 54.56 1om4 s ARG 473 Cb -0.18 0.18 0.01 0.00 -0.45 0.00 0.00 34.95 34.52 1om4 s ARG 473 CO 0.15 -0.05 0.25 0.08 -0.68 0.00 0.00 175.30 175.06 1om4 s VAL 474 N 0.12 5.01 0.42 3.52 1.01 -1.26 -1.05 120.40 128.18 1om4 s VAL 474 Ca -0.00 -0.64 0.19 0.00 0.00 0.00 0.00 61.98 61.53 1om4 s VAL 474 Cb -0.02 -3.74 0.21 0.00 0.00 0.00 0.00 36.38 32.82 1om4 s VAL 474 CO 0.01 -0.22 1.99 -0.50 0.00 0.00 0.00 175.10 176.38 1om4 h TRP 475 N 8.53 0.00 -4.20 5.22 4.06 -1.48 -3.42 115.95 124.65 1om4 h TRP 475 Ca -0.28 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 60.15 1om4 h TRP 475 Cb 1.12 0.00 0.15 0.00 -1.00 0.00 0.00 29.16 29.43 1om4 h TRP 475 CO 0.58 0.19 0.36 -0.80 -3.56 0.00 0.00 178.44 175.21 1om4 s ASN 476 N -6.69 4.18 0.04 -3.49 -0.87 -1.26 -4.93 114.94 101.92 1om4 s ASN 476 Ca -0.03 2.24 0.11 0.00 -1.57 0.00 0.00 52.86 53.60 1om4 s ASN 476 Cb 0.15 -2.57 -0.20 0.00 -0.02 0.00 0.00 41.25 38.60 1om4 s ASN 476 CO 0.66 -2.27 0.95 0.77 -2.57 0.00 0.00 177.10 174.64 1om4 h SER 477 N -0.53 0.00 -5.00 -1.22 4.64 -1.90 -3.35 113.55 106.19 1om4 h SER 477 Ca -0.47 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.69 1om4 h SER 477 Cb 1.28 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.16 1om4 h SER 477 CO 0.49 0.95 -0.68 -1.10 -0.87 0.00 0.00 176.83 175.62 1om4 s GLN 478 N -2.68 0.34 0.27 4.77 -0.21 -1.26 -1.20 119.66 119.70 1om4 s GLN 478 Ca -0.02 -0.63 -0.02 0.00 0.02 0.00 0.00 55.36 54.72 1om4 s GLN 478 Cb 0.09 0.12 0.44 0.00 1.00 0.00 0.00 33.01 34.66 1om4 s GLN 478 CO 0.82 -0.06 1.88 -0.07 -2.12 0.00 0.00 175.29 175.74 1om4 h LEU 479 N 4.53 1.02 -7.82 2.90 3.38 -1.29 -3.39 115.31 114.64 1om4 h LEU 479 Ca -0.32 0.01 -0.62 0.00 0.09 0.00 0.00 57.88 57.04 1om4 h LEU 479 Cb 1.20 -0.21 -0.37 0.00 0.09 0.00 0.00 40.66 41.38 1om4 h LEU 479 CO 0.42 0.64 -0.82 -0.63 0.09 0.00 0.00 178.44 178.15 1om4 s ILE 480 N -6.01 1.68 0.16 1.22 1.01 -1.26 -4.87 121.20 113.12 1om4 s ILE 480 Ca -0.12 -0.97 -0.12 0.00 0.00 0.00 0.00 60.65 59.43 1om4 s ILE 480 Cb 0.20 -1.71 0.01 0.00 0.01 0.00 0.00 42.46 40.96 1om4 s ILE 480 CO 0.81 0.23 0.34 -0.13 0.00 0.00 0.00 174.94 176.19 1om4 s ARG 481 N 1.39 1.16 0.06 2.79 0.52 -1.26 -4.83 118.95 118.78 1om4 s ARG 481 Ca -0.00 -1.02 -0.06 0.00 -0.52 0.00 0.00 55.73 54.13 1om4 s ARG 481 Cb -0.16 0.42 -0.05 0.00 0.52 0.00 0.00 34.95 35.68 1om4 s ARG 481 CO -0.09 -0.44 0.32 0.71 0.02 0.00 0.00 175.30 175.82 1om4 s TYR 482 N -3.91 3.55 0.77 -0.53 4.12 -1.26 -0.77 117.35 119.32 1om4 s TYR 482 Ca 0.12 0.58 -0.11 0.00 0.02 0.00 0.00 57.07 57.68 1om4 s TYR 482 Cb 0.02 -2.01 0.06 0.00 -1.52 0.00 0.00 41.96 38.51 1om4 s TYR 482 CO -0.03 0.54 1.08 0.00 0.02 0.00 0.00 175.55 177.16 1om4 s ALA 483 N -1.43 2.30 -0.03 3.71 0.00 0.09 -4.50 121.76 121.91 1om4 s ALA 483 Ca 0.33 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.23 1om4 s ALA 483 Cb -0.13 -3.15 0.03 0.00 0.00 0.00 0.00 23.12 19.86 1om4 s ALA 483 CO 0.20 -1.65 0.01 0.20 0.00 0.00 0.00 175.76 174.53 1om4 s GLY 484 N -3.77 0.20 -0.02 0.00 0.00 -1.25 -1.48 107.32 101.01 1om4 s GLY 484 Ca 0.60 0.21 0.04 0.00 0.00 0.00 0.00 44.72 45.57 1om4 s GLY 484 CO 0.55 0.70 -0.15 -0.19 0.00 0.00 0.00 173.10 174.01 1om4 s TYR 485 N 1.14 1.43 -0.23 1.90 1.51 0.14 -4.07 117.35 119.17 1om4 s TYR 485 Ca -0.08 -0.33 -0.26 0.00 -1.01 0.00 0.00 57.07 55.38 1om4 s TYR 485 Cb -0.13 -0.95 -0.00 0.00 -0.11 0.00 0.00 41.96 40.77 1om4 s TYR 485 CO -0.02 -0.08 0.90 0.15 -1.11 0.00 0.00 175.55 175.38 1om4 s LYS 486 N -0.14 4.22 0.44 -0.62 1.02 -1.26 0.13 119.74 123.52 1om4 s LYS 486 Ca 0.01 1.08 -0.02 0.00 0.02 0.00 0.00 55.97 57.06 1om4 s LYS 486 Cb -0.08 -3.64 -0.02 0.00 -0.52 0.00 0.00 37.83 33.57 1om4 s LYS 486 CO 0.00 -0.54 0.69 -0.65 -0.92 0.00 0.00 175.35 173.94 1om4 s GLN 487 N 2.90 3.36 0.30 1.68 -0.21 0.64 -4.93 119.66 123.40 1om4 s GLN 487 Ca 0.38 -0.15 0.05 0.00 0.02 0.00 0.00 55.36 55.66 1om4 s GLN 487 Cb -0.15 -2.50 0.69 0.00 1.00 0.00 0.00 33.01 32.04 1om4 s GLN 487 CO 0.07 -0.14 1.79 -1.35 -2.12 0.00 0.00 175.29 173.54 1om4 h PRO 488 N 0.40 0.81 0.00 2.91 0.11 -1.96 0.42 132.00 134.68 1om4 h PRO 488 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1om4 h PRO 488 Cb 1.22 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1om4 h PRO 488 CO 0.60 0.53 0.42 0.22 -0.21 0.00 0.00 178.00 179.57 1om4 h ASP 489 N 0.83 0.00 0.00 -2.05 -0.00 -2.02 -3.43 116.42 109.75 1om4 h ASP 489 Ca 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.59 1om4 h ASP 489 Cb 0.79 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.12 1om4 h ASP 489 CO -0.35 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 179.50 1om4 n GLY 490 N -1.26 1.78 3.85 -0.78 0.00 0.15 -5.04 105.19 103.89 1om4 n GLY 490 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1om4 n GLY 490 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1om4 s SER 491 N -1.80 4.43 -0.11 1.61 1.04 -1.25 -4.75 113.70 112.87 1om4 s SER 491 Ca 0.00 0.98 -0.00 0.00 0.48 0.00 0.00 55.95 57.41 1om4 s SER 491 Cb 0.00 -1.59 -0.02 0.00 0.10 0.00 0.00 66.02 64.50 1om4 s SER 491 CO 0.00 -1.97 -0.09 -0.89 0.98 0.00 0.00 173.24 171.27 1om4 s THR 492 N -3.39 3.45 -0.19 2.02 2.01 -1.26 -0.26 115.64 118.02 1om4 s THR 492 Ca 0.61 -0.54 -0.12 0.00 0.31 0.00 0.00 61.69 61.96 1om4 s THR 492 Cb -0.13 -2.45 -0.05 0.00 0.01 0.00 0.00 72.50 69.89 1om4 s THR 492 CO 0.51 0.54 0.22 -0.22 -0.69 0.00 0.00 174.62 174.99 1om4 s LEU 493 N -0.07 4.20 0.00 4.42 2.96 0.35 -4.92 118.68 125.62 1om4 s LEU 493 Ca -0.01 0.34 0.00 0.00 -0.22 0.00 0.00 54.13 54.25 1om4 s LEU 493 Cb -0.14 -2.24 0.00 0.00 0.50 0.00 0.00 46.19 44.32 1om4 s LEU 493 CO 0.03 0.11 0.00 0.61 -1.32 0.00 0.00 176.35 175.78 1om4 n GLY 494 N 3.62 0.44 3.48 7.98 0.00 -1.26 0.28 105.19 119.73 1om4 n GLY 494 Ca -0.14 -1.30 -0.43 0.00 0.00 0.00 0.00 46.02 44.15 1om4 n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1om4 s ASP 495 N -4.00 6.22 0.53 1.61 -1.08 -0.55 -4.78 116.67 114.64 1om4 s ASP 495 Ca 0.00 -0.64 0.22 0.00 -0.52 0.00 0.00 52.55 51.61 1om4 s ASP 495 Cb 0.00 -2.25 1.38 0.00 -1.46 0.00 0.00 42.92 40.59 1om4 s ASP 495 CO 0.00 -0.65 2.07 -0.65 0.52 0.00 0.00 175.17 176.45 1om4 h PRO 496 N 8.79 0.00 0.00 4.34 0.11 -1.83 -1.50 132.00 141.91 1om4 h PRO 496 Ca -0.26 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 1om4 h PRO 496 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1om4 h PRO 496 CO 0.83 0.00 -0.06 0.00 -0.21 0.00 0.00 178.00 178.57 1om4 h ALA 497 N 1.84 1.50 -0.31 -0.75 0.00 -1.93 -2.77 119.26 116.83 1om4 h ALA 497 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1om4 h ALA 497 Cb 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1om4 h ALA 497 CO -0.00 0.07 0.00 0.09 0.00 0.00 0.00 179.25 179.41 1om4 n ASN 498 N -3.88 3.59 -0.18 0.00 3.02 -0.57 -4.70 115.26 112.55 1om4 n ASN 498 Ca -0.03 -2.61 -0.03 0.00 -0.03 0.00 0.00 54.58 51.89 1om4 n ASN 498 Cb 0.15 -0.43 0.07 0.00 -0.61 0.00 0.00 39.78 38.96 1om4 n ASN 498 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1om4 h VAL 499 N 2.02 0.90 -0.31 2.41 2.07 -1.49 0.30 116.25 122.15 1om4 h VAL 499 Ca 0.00 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.31 1om4 h VAL 499 Cb 1.19 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1om4 h VAL 499 CO 0.14 0.09 -0.00 -0.61 0.02 0.00 0.00 177.57 177.21 1om4 h GLN 500 N 0.48 0.55 -0.57 1.57 4.15 -1.84 -2.56 115.11 116.89 1om4 h GLN 500 Ca 0.25 -0.18 -0.07 0.00 0.77 0.00 0.00 58.65 59.42 1om4 h GLN 500 Cb 0.20 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 1om4 h GLN 500 CO -0.20 0.69 0.07 0.35 -1.93 0.00 0.00 178.83 177.81 1om4 h PHE 501 N 0.34 0.98 0.00 3.99 3.57 -1.84 -2.30 116.94 121.68 1om4 h PHE 501 Ca 0.09 -0.13 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 1om4 h PHE 501 Cb 0.45 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 1om4 h PHE 501 CO 0.04 0.85 -0.06 1.15 -2.23 0.00 0.00 178.31 178.05 1om4 h THR 502 N 0.87 0.95 0.11 4.41 2.02 -0.80 -1.83 112.91 118.65 1om4 h THR 502 Ca 0.18 -0.22 -0.27 0.00 0.77 0.00 0.00 66.41 66.87 1om4 h THR 502 Cb 0.41 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1om4 h THR 502 CO 0.01 0.06 -1.21 -0.33 0.37 0.00 0.00 175.52 174.42 1om4 h GLU 503 N 0.00 0.24 -0.10 6.66 5.08 -1.01 -3.00 114.58 122.45 1om4 h GLU 503 Ca -0.00 -0.40 -0.08 0.00 -1.00 0.00 0.00 59.36 57.87 1om4 h GLU 503 Cb 0.12 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1om4 h GLU 503 CO 0.01 1.19 -0.31 0.82 -1.00 0.00 0.00 179.01 179.72 1om4 h ILE 504 N 0.06 1.26 -0.38 3.13 2.04 -0.92 0.34 117.51 123.05 1om4 h ILE 504 Ca -0.12 -1.23 -0.06 0.00 1.00 0.00 0.00 64.86 64.45 1om4 h ILE 504 Cb 1.95 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 39.54 1om4 h ILE 504 CO 0.19 0.37 -0.01 0.00 0.00 0.00 0.00 178.15 178.70 1om4 h ILE 506 N 0.50 1.18 0.00 0.00 2.04 -1.28 -0.11 117.51 119.84 1om4 h ILE 506 Ca 0.11 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.40 1om4 h ILE 506 Cb 0.48 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1om4 h ILE 506 CO 0.02 0.19 0.16 1.67 0.00 0.00 0.00 178.15 180.19 1om4 n GLN 507 N -4.77 0.11 -0.00 2.37 7.27 0.11 -0.18 117.38 122.30 1om4 n GLN 507 Ca -0.03 0.60 0.07 0.00 0.07 0.00 0.00 57.00 57.72 1om4 n GLN 507 Cb 0.14 -2.04 -0.09 0.00 2.41 0.00 0.00 30.24 30.66 1om4 n GLN 507 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1om4 n GLN 508 N -2.16 1.65 0.00 3.69 1.13 -0.19 -5.01 117.38 116.49 1om4 n GLN 508 Ca -0.01 -0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.01 1om4 n GLN 508 Cb 0.19 -1.25 0.00 0.00 0.11 0.00 0.00 30.24 29.29 1om4 n GLN 508 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1om4 n GLY 509 N 1.43 1.38 3.68 1.08 0.00 0.74 -4.99 105.19 108.51 1om4 n GLY 509 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 1om4 n GLY 509 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1om4 n TRP 510 N 0.00 2.22 -3.11 1.61 -0.00 -0.64 -4.90 117.44 112.62 1om4 n TRP 510 Ca 0.00 0.46 -0.45 0.00 -0.00 0.00 0.00 57.50 57.51 1om4 n TRP 510 Cb 0.00 -2.45 -0.01 0.00 -0.00 0.00 0.00 31.31 28.85 1om4 n TRP 510 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1om4 s LYS 511 N -0.85 3.99 0.04 5.87 1.02 -1.26 -4.50 119.74 124.05 1om4 s LYS 511 Ca 0.64 -2.63 -0.31 0.00 0.02 0.00 0.00 55.97 53.69 1om4 s LYS 511 Cb -0.62 -4.81 -0.10 0.00 -0.52 0.00 0.00 37.83 31.79 1om4 s LYS 511 CO 0.53 -1.55 1.94 0.00 -0.92 0.00 0.00 175.35 175.35 1om4 n ALA 512 N 4.70 1.60 0.53 5.17 0.00 -1.26 -4.86 120.51 126.39 1om4 n ALA 512 Ca 0.28 0.24 0.11 0.00 0.00 0.00 0.00 53.44 54.07 1om4 n ALA 512 Cb 0.43 -2.64 0.43 0.00 0.00 0.00 0.00 19.45 17.67 1om4 n ALA 512 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1om4 n PRO 513 N 7.07 0.11 -3.58 0.00 -0.02 -1.26 -4.93 135.00 132.40 1om4 n PRO 513 Ca 0.20 0.29 -0.24 0.00 -2.02 0.00 0.00 63.50 61.73 1om4 n PRO 513 Cb 0.39 -1.69 0.05 0.00 -0.02 0.00 0.00 33.50 32.22 1om4 n PRO 513 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1om4 n ARG 514 N -1.91 -2.78 -3.68 -0.52 1.74 -1.26 -5.02 116.66 103.23 1om4 n ARG 514 Ca 0.04 0.62 -0.24 0.00 -0.77 0.00 0.00 57.85 57.49 1om4 n ARG 514 Cb 0.25 -4.93 -0.00 0.00 -1.02 0.00 0.00 32.46 26.76 1om4 n ARG 514 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1om4 n GLY 515 N -1.53 2.82 0.20 -0.13 0.00 -1.26 -5.02 105.19 100.26 1om4 n GLY 515 Ca -0.16 -2.29 0.09 0.00 0.00 0.00 0.00 46.02 43.66 1om4 n GLY 515 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1om4 h ARG 516 N 0.00 0.00 -2.04 1.61 2.43 -1.94 -3.38 114.38 111.05 1om4 h ARG 516 Ca -0.32 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.32 1om4 h ARG 516 Cb 1.17 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 30.32 1om4 h ARG 516 CO 0.51 0.15 -1.08 1.19 -1.51 0.00 0.00 179.97 179.23 1om4 n PHE 517 N -3.13 0.64 -2.83 2.20 3.01 -1.26 -4.27 117.46 111.81 1om4 n PHE 517 Ca 0.03 -3.78 -0.43 0.00 1.01 0.00 0.00 57.45 54.29 1om4 n PHE 517 Cb 0.59 -0.41 -0.04 0.00 -0.01 0.00 0.00 39.48 39.61 1om4 n PHE 517 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1om4 s ASP 518 N -2.17 6.61 -0.11 4.37 1.01 -1.26 -4.91 116.67 120.20 1om4 s ASP 518 Ca 0.39 0.41 -0.29 0.00 0.71 0.00 0.00 52.55 53.77 1om4 s ASP 518 Cb 0.28 -2.45 -0.06 0.00 1.01 0.00 0.00 42.92 41.70 1om4 s ASP 518 CO -0.09 -0.89 1.95 -0.69 0.21 0.00 0.00 175.17 175.66 1om4 s VAL 519 N 3.49 3.21 0.83 -1.27 1.01 -1.26 -0.73 120.40 125.68 1om4 s VAL 519 Ca 0.37 0.23 -0.12 0.00 0.00 0.00 0.00 61.98 62.46 1om4 s VAL 519 Cb -0.12 -3.20 0.09 0.00 0.00 0.00 0.00 36.38 33.16 1om4 s VAL 519 CO 0.21 -0.08 1.18 -0.76 0.00 0.00 0.00 175.10 175.65 1om4 s LEU 520 N 5.86 3.07 0.33 3.92 1.43 0.05 -4.91 118.68 128.44 1om4 s LEU 520 Ca 0.87 2.27 -0.08 0.00 -1.03 0.00 0.00 54.13 56.17 1om4 s LEU 520 Cb -0.35 -4.58 -0.06 0.00 0.03 0.00 0.00 46.19 41.24 1om4 s LEU 520 CO 0.36 -2.70 0.64 -2.16 0.23 0.00 0.00 176.35 172.72 1om4 s PRO 521 N -4.31 3.71 0.04 1.29 0.04 -1.26 -4.76 135.00 129.75 1om4 s PRO 521 Ca 0.70 0.23 -0.30 0.00 0.04 0.00 0.00 61.00 61.67 1om4 s PRO 521 Cb -0.26 -2.54 -0.04 0.00 0.04 0.00 0.00 34.50 31.70 1om4 s PRO 521 CO 0.52 0.12 1.06 -0.51 0.04 0.00 0.00 177.00 178.23 1om4 s LEU 522 N -3.60 4.39 -0.44 -3.56 1.43 0.67 -4.82 118.68 112.77 1om4 s LEU 522 Ca 0.47 1.82 -0.06 0.00 -1.03 0.00 0.00 54.13 55.33 1om4 s LEU 522 Cb -0.11 -3.58 0.11 0.00 0.03 0.00 0.00 46.19 42.65 1om4 s LEU 522 CO 0.29 -0.31 0.27 -0.22 0.23 0.00 0.00 176.35 176.62 1om4 s LEU 523 N 0.82 5.44 -0.13 1.79 0.20 -1.26 -1.57 118.68 123.97 1om4 s LEU 523 Ca 0.53 -1.95 -0.05 0.00 0.69 0.00 0.00 54.13 53.36 1om4 s LEU 523 Cb -0.25 -1.92 -0.04 0.00 -0.43 0.00 0.00 46.19 43.56 1om4 s LEU 523 CO 0.29 -0.61 0.04 -0.76 -0.29 0.00 0.00 176.35 175.02 1om4 s LEU 524 N 1.25 3.74 -0.20 -0.68 1.43 -0.18 -1.20 118.68 122.84 1om4 s LEU 524 Ca 0.07 0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.32 1om4 s LEU 524 Cb -0.24 -1.90 0.03 0.00 0.03 0.00 0.00 46.19 44.10 1om4 s LEU 524 CO -0.02 0.30 -0.16 -1.58 0.23 0.00 0.00 176.35 175.11 1om4 s GLN 525 N -0.37 2.85 -0.06 1.70 0.74 -0.22 -0.42 119.66 123.89 1om4 s GLN 525 Ca 0.08 -0.93 0.05 0.00 0.05 0.00 0.00 55.36 54.61 1om4 s GLN 525 Cb -0.12 -2.70 -0.02 0.00 1.10 0.00 0.00 33.01 31.27 1om4 s GLN 525 CO 0.02 -0.30 -0.19 0.00 -0.55 0.00 0.00 175.29 174.27 1om4 s ALA 526 N 1.27 2.43 -1.25 1.58 0.00 -1.26 -0.88 121.76 123.65 1om4 s ALA 526 Ca 0.02 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1om4 s ALA 526 Cb -0.15 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.13 1om4 s ALA 526 CO -0.10 0.47 0.00 -1.71 0.00 0.00 0.00 175.76 174.42 1om4 n ASN 527 N 2.68 -3.79 0.00 0.00 4.05 -1.25 -1.24 115.26 115.70 1om4 n ASN 527 Ca -0.17 0.25 0.00 0.00 0.45 0.00 0.00 54.58 55.10 1om4 n ASN 527 Cb 0.52 -3.36 0.00 0.00 1.23 0.00 0.00 39.78 38.17 1om4 n ASN 527 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1om4 n GLY 528 N -0.55 1.45 3.53 8.20 0.00 -0.95 -4.34 105.19 112.53 1om4 n GLY 528 Ca -0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 1om4 n GLY 528 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1om4 s ASN 529 N -2.81 0.82 0.41 1.61 0.01 -0.37 -4.92 114.94 109.69 1om4 s ASN 529 Ca 0.00 0.94 -0.25 0.00 -0.71 0.00 0.00 52.86 52.85 1om4 s ASN 529 Cb 0.00 -1.41 -0.08 0.00 0.41 0.00 0.00 41.25 40.17 1om4 s ASN 529 CO 0.00 -4.22 1.16 -1.81 -1.51 0.00 0.00 177.10 170.72 1om4 s ASP 530 N -3.39 6.45 0.53 -1.22 -0.00 -1.26 -4.39 116.67 113.38 1om4 s ASP 530 Ca 0.69 2.32 -0.21 0.00 -0.00 0.00 0.00 52.55 55.34 1om4 s ASP 530 Cb -0.15 -2.61 -0.05 0.00 -0.00 0.00 0.00 42.92 40.10 1om4 s ASP 530 CO 0.58 -0.72 1.23 -2.16 -0.00 0.00 0.00 175.17 174.10 1om4 s PRO 531 N -2.41 3.34 0.07 8.23 0.04 -1.26 -4.73 135.00 138.28 1om4 s PRO 531 Ca 0.59 1.91 0.09 0.00 0.04 0.00 0.00 61.00 63.62 1om4 s PRO 531 Cb -0.30 -2.20 -0.03 0.00 0.04 0.00 0.00 34.50 32.01 1om4 s PRO 531 CO 0.37 -0.93 -0.24 -1.21 0.04 0.00 0.00 177.00 175.02 1om4 s GLU 532 N -2.97 1.52 0.42 4.56 2.02 0.45 -4.83 118.70 119.87 1om4 s GLU 532 Ca 0.70 -1.11 -0.12 0.00 0.02 0.00 0.00 54.97 54.46 1om4 s GLU 532 Cb -0.32 -1.75 -0.07 0.00 0.10 0.00 0.00 34.13 32.09 1om4 s GLU 532 CO 0.37 0.44 0.81 -0.51 0.02 0.00 0.00 175.26 176.39 1om4 s LEU 533 N -1.45 3.80 -0.26 1.80 1.43 -1.25 -1.01 118.68 121.74 1om4 s LEU 533 Ca 0.10 1.22 -0.17 0.00 -1.03 0.00 0.00 54.13 54.25 1om4 s LEU 533 Cb -0.10 -4.11 0.07 0.00 0.03 0.00 0.00 46.19 42.09 1om4 s LEU 533 CO 0.03 -0.42 0.65 -0.36 0.23 0.00 0.00 176.35 176.48 1om4 s PHE 534 N -2.40 -0.94 -0.41 0.29 0.40 -0.61 -4.93 117.98 109.39 1om4 s PHE 534 Ca 0.53 1.96 -0.18 0.00 -0.60 0.00 0.00 56.93 58.64 1om4 s PHE 534 Cb -0.10 0.50 0.02 0.00 0.51 0.00 0.00 43.02 43.94 1om4 s PHE 534 CO 0.31 -0.47 0.47 -1.14 0.70 0.00 0.00 175.22 175.09 1om4 s GLN 535 N 1.29 3.24 0.05 0.44 2.00 -1.26 -0.24 119.66 125.19 1om4 s GLN 535 Ca -0.07 -0.58 -0.34 0.00 -2.00 0.00 0.00 55.36 52.36 1om4 s GLN 535 Cb -0.05 -3.93 -0.13 0.00 0.80 0.00 0.00 33.01 29.70 1om4 s GLN 535 CO -0.14 -0.82 1.67 -0.89 -0.50 0.00 0.00 175.29 174.61 1om4 n ILE 536 N 5.49 0.21 -1.41 -2.34 5.41 -1.26 -4.73 119.36 120.73 1om4 n ILE 536 Ca -0.06 -0.04 -0.58 0.00 1.00 0.00 0.00 62.75 63.07 1om4 n ILE 536 Cb 0.48 -1.58 -0.10 0.00 -0.71 0.00 0.00 39.64 37.73 1om4 n ILE 536 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1om4 n PRO 537 N 4.54 0.46 -0.40 0.38 -0.02 -1.26 -4.72 135.00 133.98 1om4 n PRO 537 Ca 0.19 0.14 0.33 0.00 -2.02 0.00 0.00 63.50 62.14 1om4 n PRO 537 Cb 0.27 -1.86 0.62 0.00 -0.02 0.00 0.00 33.50 32.51 1om4 n PRO 537 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1om4 h PRO 538 N 9.40 0.17 0.00 0.52 0.11 -1.95 1.39 132.00 141.65 1om4 h PRO 538 Ca -0.23 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1om4 h PRO 538 Cb 1.37 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1om4 h PRO 538 CO 1.04 0.12 0.00 1.05 -0.21 0.00 0.00 178.00 180.00 1om4 h GLU 539 N 0.18 0.00 0.00 1.05 9.09 -2.00 -2.06 114.58 120.84 1om4 h GLU 539 Ca 0.72 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.13 1om4 h GLU 539 Cb 2.22 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.32 1om4 h GLU 539 CO -0.31 0.00 -0.93 1.28 0.05 0.00 0.00 179.01 179.09 1om4 n LEU 540 N -2.51 0.75 -4.38 3.06 4.77 0.48 -4.80 117.00 114.36 1om4 n LEU 540 Ca -0.00 -0.26 -0.45 0.00 -0.03 0.00 0.00 56.01 55.28 1om4 n LEU 540 Cb 0.14 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.10 1om4 n LEU 540 CO 0.17 0.17 0.33 -0.69 -1.33 0.00 0.00 177.39 176.04 1om4 s VAL 541 N -3.07 4.91 -0.13 4.08 1.01 -0.77 -4.78 120.40 121.65 1om4 s VAL 541 Ca 0.07 -0.96 -0.29 0.00 0.00 0.00 0.00 61.98 60.79 1om4 s VAL 541 Cb 0.16 -4.40 -0.01 0.00 0.00 0.00 0.00 36.38 32.13 1om4 s VAL 541 CO 0.82 -0.99 1.03 -0.22 0.00 0.00 0.00 175.10 175.74 1om4 s LEU 542 N 2.45 4.21 0.16 3.92 2.96 -1.26 -5.00 118.68 126.13 1om4 s LEU 542 Ca 0.11 1.52 0.09 0.00 -0.22 0.00 0.00 54.13 55.63 1om4 s LEU 542 Cb -0.24 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.86 1om4 s LEU 542 CO 0.07 -0.51 -0.20 -1.61 -1.32 0.00 0.00 176.35 172.77 1om4 s GLU 543 N 2.33 1.31 -0.18 1.98 2.02 -1.26 -1.00 118.70 123.89 1om4 s GLU 543 Ca 0.48 -1.39 0.01 0.00 0.02 0.00 0.00 54.97 54.08 1om4 s GLU 543 Cb -0.18 -1.47 0.03 0.00 0.10 0.00 0.00 34.13 32.62 1om4 s GLU 543 CO 0.15 0.31 -0.12 0.08 0.02 0.00 0.00 175.26 175.71 1om4 s VAL 544 N -1.80 1.60 0.19 2.63 1.01 0.95 -4.90 120.40 120.07 1om4 s VAL 544 Ca 0.15 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 60.97 1om4 s VAL 544 Cb -0.07 -1.62 -0.08 0.00 0.00 0.00 0.00 36.38 34.61 1om4 s VAL 544 CO 0.07 0.28 1.30 -2.16 0.00 0.00 0.00 175.10 174.58 1om4 s PRO 545 N 1.44 4.40 -0.24 2.72 0.04 -1.26 -2.16 135.00 139.93 1om4 s PRO 545 Ca 0.01 2.03 -0.15 0.00 0.04 0.00 0.00 61.00 62.93 1om4 s PRO 545 Cb -0.15 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 1om4 s PRO 545 CO -0.09 -0.25 0.38 0.42 0.04 0.00 0.00 177.00 177.50 1om4 s ILE 546 N 0.20 5.19 0.06 0.56 -1.09 0.29 -4.84 121.20 121.57 1om4 s ILE 546 Ca 0.57 0.63 0.02 0.00 -2.23 0.00 0.00 60.65 59.64 1om4 s ILE 546 Cb -0.36 -3.71 -0.03 0.00 -1.58 0.00 0.00 42.46 36.78 1om4 s ILE 546 CO 0.37 0.20 -0.07 0.00 -1.23 0.00 0.00 174.94 174.21 1om4 s ARG 547 N 1.70 0.62 0.06 2.79 3.03 -1.26 -4.22 118.95 121.66 1om4 s ARG 547 Ca 0.17 -0.95 -0.10 0.00 2.03 0.00 0.00 55.73 56.88 1om4 s ARG 547 Cb -0.15 -0.26 -0.06 0.00 -1.03 0.00 0.00 34.95 33.46 1om4 s ARG 547 CO 0.09 0.03 0.38 -1.58 -1.13 0.00 0.00 175.30 173.08 1om4 s HIS 548 N -2.12 3.60 -2.00 5.89 2.46 -1.26 -4.33 115.29 117.53 1om4 s HIS 548 Ca -0.03 0.78 0.05 0.00 0.47 0.00 0.00 55.06 56.33 1om4 s HIS 548 Cb -0.05 -2.15 0.31 0.00 -0.13 0.00 0.00 32.58 30.56 1om4 s HIS 548 CO -0.01 0.55 0.91 -0.35 -2.47 0.00 0.00 174.74 173.36 1om4 n PRO 549 N 1.05 0.67 0.00 2.88 -0.04 -1.26 -3.96 135.00 134.33 1om4 n PRO 549 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1om4 n PRO 549 Cb 0.52 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 1om4 n PRO 549 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1om4 n LYS 550 N -0.62 0.00 -2.83 0.54 5.02 -1.26 -5.03 118.16 113.98 1om4 n LYS 550 Ca 0.04 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.90 1om4 n LYS 550 Cb 0.02 -0.33 -0.03 0.00 -0.02 0.00 0.00 35.03 34.67 1om4 n LYS 550 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1om4 s PHE 551 N -1.10 2.86 0.65 2.13 2.99 -1.25 -4.87 117.98 119.38 1om4 s PHE 551 Ca 0.00 -0.99 0.39 0.00 0.00 0.00 0.00 56.93 56.33 1om4 s PHE 551 Cb 0.00 -4.36 2.15 0.00 0.00 0.00 0.00 43.02 40.81 1om4 s PHE 551 CO 0.00 -1.63 2.27 -0.44 -0.00 0.00 0.00 175.22 175.42 1om4 h ASP 552 N 9.26 0.00 1.31 1.36 3.32 -1.96 -0.31 116.42 129.40 1om4 h ASP 552 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1om4 h ASP 552 Cb 1.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.59 1om4 h ASP 552 CO 1.19 0.00 0.00 4.11 -1.72 0.00 0.00 179.24 182.82 1om4 h TRP 553 N 0.00 0.00 -0.71 4.55 5.08 -1.95 -3.30 115.95 119.63 1om4 h TRP 553 Ca 0.01 0.00 0.08 0.00 1.08 0.00 0.00 58.89 60.06 1om4 h TRP 553 Cb 0.14 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 26.24 1om4 h TRP 553 CO 0.00 0.00 0.38 0.35 -1.28 0.00 0.00 178.44 177.89 1om4 h PHE 554 N 0.00 0.68 -0.20 0.12 3.57 -1.42 0.28 116.94 119.97 1om4 h PHE 554 Ca 0.00 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.58 1om4 h PHE 554 Cb 0.66 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 1om4 h PHE 554 CO 0.00 0.29 0.17 1.57 -2.23 0.00 0.00 178.31 178.11 1om4 h LYS 555 N 0.67 0.00 0.00 1.11 2.10 -1.73 -0.50 116.57 118.21 1om4 h LYS 555 Ca 0.33 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.98 1om4 h LYS 555 Cb 0.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.61 1om4 h LYS 555 CO -0.22 0.00 0.00 -0.44 -2.00 0.00 0.00 179.45 176.79 1om4 h ASP 556 N 0.00 0.00 0.84 7.07 3.32 -1.15 -1.00 116.42 125.49 1om4 h ASP 556 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1om4 h ASP 556 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1om4 h ASP 556 CO -0.00 0.00 0.00 -0.07 -1.72 0.00 0.00 179.24 177.45 1om4 h LEU 557 N 0.00 0.00 0.63 1.55 3.38 -1.15 -3.46 115.31 116.26 1om4 h LEU 557 Ca 0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 1om4 h LEU 557 Cb 0.24 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.04 1om4 h LEU 557 CO 0.00 0.00 -0.49 0.61 0.09 0.00 0.00 178.44 178.65 1om4 n GLY 558 N -0.12 -0.27 3.88 0.83 0.00 -0.38 -5.00 105.19 104.12 1om4 n GLY 558 Ca 0.00 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 1om4 n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1om4 s LEU 559 N -5.44 4.32 0.19 0.99 1.43 -1.26 -5.02 118.68 113.89 1om4 s LEU 559 Ca 0.25 0.68 -0.18 0.00 -1.03 0.00 0.00 54.13 53.85 1om4 s LEU 559 Cb -0.11 -3.05 0.03 0.00 0.03 0.00 0.00 46.19 43.09 1om4 s LEU 559 CO 0.31 0.14 0.54 -1.59 0.23 0.00 0.00 176.35 175.98 1om4 s LYS 560 N -2.16 1.39 0.17 1.70 -2.85 -1.26 -0.54 119.74 116.18 1om4 s LYS 560 Ca 0.35 -0.82 -0.09 0.00 -1.00 0.00 0.00 55.97 54.41 1om4 s LYS 560 Cb -0.13 0.53 -0.01 0.00 -2.06 0.00 0.00 37.83 36.17 1om4 s LYS 560 CO 0.20 -0.59 0.30 -0.46 0.10 0.00 0.00 175.35 174.89 1om4 s TRP 561 N -3.86 0.37 0.24 1.78 -0.11 -0.92 -4.93 118.94 111.52 1om4 s TRP 561 Ca 0.08 -0.73 -0.09 0.00 1.22 0.00 0.00 56.10 56.58 1om4 s TRP 561 Cb -0.01 -0.03 -0.07 0.00 -1.50 0.00 0.00 33.47 31.86 1om4 s TRP 561 CO -0.04 -0.73 0.56 1.52 -4.62 0.00 0.00 176.95 173.64 1om4 s TYR 562 N -3.96 3.43 -0.36 5.86 -0.85 -1.26 -0.04 117.35 120.17 1om4 s TYR 562 Ca 0.17 0.85 0.21 0.00 -0.52 0.00 0.00 57.07 57.78 1om4 s TYR 562 Cb 0.03 -2.25 0.24 0.00 0.38 0.00 0.00 41.96 40.36 1om4 s TYR 562 CO -0.00 0.24 1.50 0.78 -1.52 0.00 0.00 175.55 176.55 1om4 h GLY 563 N 2.39 0.00 -7.55 5.49 0.00 -1.42 -3.45 103.07 98.53 1om4 h GLY 563 Ca -0.47 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 46.15 1om4 h GLY 563 CO 0.69 0.00 -0.52 -2.27 0.00 0.00 0.00 176.54 174.44 1om4 s LEU 564 N -6.15 4.81 -0.34 3.11 2.96 -1.26 -4.56 118.68 117.25 1om4 s LEU 564 Ca 0.05 -1.27 -0.25 0.00 -0.22 0.00 0.00 54.13 52.45 1om4 s LEU 564 Cb 0.06 -1.96 0.01 0.00 0.50 0.00 0.00 46.19 44.79 1om4 s LEU 564 CO 0.70 -0.44 0.85 -2.16 -1.32 0.00 0.00 176.35 173.98 1om4 s PRO 565 N 1.45 3.89 -0.48 0.98 0.04 -1.26 -4.69 135.00 134.93 1om4 s PRO 565 Ca 0.02 0.57 0.03 0.00 0.04 0.00 0.00 61.00 61.65 1om4 s PRO 565 Cb -0.21 -3.77 0.16 0.00 0.04 0.00 0.00 34.50 30.72 1om4 s PRO 565 CO 0.04 -0.82 0.34 0.00 0.04 0.00 0.00 177.00 176.60 1om4 s ALA 566 N 3.20 2.12 -0.04 8.56 0.00 -1.26 -3.46 121.76 130.88 1om4 s ALA 566 Ca 0.35 -2.76 -0.35 0.00 0.00 0.00 0.00 51.96 49.20 1om4 s ALA 566 Cb -0.13 -1.81 -0.13 0.00 0.00 0.00 0.00 23.12 21.05 1om4 s ALA 566 CO 0.15 -2.04 1.76 0.28 0.00 0.00 0.00 175.76 175.91 1om4 n VAL 567 N 2.95 0.37 -0.28 0.00 0.31 -0.80 -0.78 118.33 120.11 1om4 n VAL 567 Ca 0.20 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.46 1om4 n VAL 567 Cb 0.40 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 31.68 1om4 n VAL 567 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1om4 n SER 568 N 5.47 1.14 -0.83 4.52 3.41 -0.34 -1.74 113.62 125.25 1om4 n SER 568 Ca 0.21 -1.42 0.08 0.00 -0.26 0.00 0.00 58.87 57.48 1om4 n SER 568 Cb 0.27 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.40 1om4 n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1om4 n ASN 569 N -0.21 3.10 -4.96 4.04 2.04 -1.21 -4.41 115.26 113.64 1om4 n ASN 569 Ca 0.00 -1.94 -0.22 0.00 -0.44 0.00 0.00 54.58 51.98 1om4 n ASN 569 Cb 0.21 -0.26 0.03 0.00 -2.53 0.00 0.00 39.78 37.23 1om4 n ASN 569 CO 0.00 0.00 0.00 -0.04 -0.44 0.00 0.00 177.26 176.78 1om4 s MET 570 N -1.04 2.64 -0.14 -3.83 -1.94 -1.26 -4.38 119.30 109.36 1om4 s MET 570 Ca 0.29 -0.63 0.01 0.00 -1.71 0.00 0.00 55.69 53.65 1om4 s MET 570 Cb 0.16 -2.46 -0.01 0.00 2.01 0.00 0.00 34.83 34.53 1om4 s MET 570 CO 0.21 -0.66 -0.15 -1.17 -0.01 0.00 0.00 175.02 173.23 1om4 s LEU 571 N -4.77 2.54 -0.25 -0.03 0.20 0.07 -4.31 118.68 112.12 1om4 s LEU 571 Ca 0.55 -0.42 -0.14 0.00 0.69 0.00 0.00 54.13 54.81 1om4 s LEU 571 Cb -0.10 -1.57 -0.04 0.00 -0.43 0.00 0.00 46.19 44.05 1om4 s LEU 571 CO 0.39 0.13 0.35 -0.22 -0.29 0.00 0.00 176.35 176.71 1om4 s LEU 572 N 0.54 4.07 -0.20 -0.68 2.96 -0.44 -0.23 118.68 124.71 1om4 s LEU 572 Ca -0.10 0.31 -0.04 0.00 -0.22 0.00 0.00 54.13 54.08 1om4 s LEU 572 Cb -0.16 -2.40 -0.02 0.00 0.50 0.00 0.00 46.19 44.12 1om4 s LEU 572 CO 0.04 -0.13 -0.03 -0.70 -1.32 0.00 0.00 176.35 174.21 1om4 s GLU 573 N 1.77 3.50 -0.05 1.98 2.12 -0.15 -0.17 118.70 127.68 1om4 s GLU 573 Ca 0.15 -0.58 0.00 0.00 0.36 0.00 0.00 54.97 54.90 1om4 s GLU 573 Cb -0.15 -2.99 0.02 0.00 0.26 0.00 0.00 34.13 31.27 1om4 s GLU 573 CO 0.09 -0.04 -0.03 0.42 -0.54 0.00 0.00 175.26 175.16 1om4 s ILE 574 N 1.10 0.49 -1.47 -3.70 1.01 -0.58 -1.85 121.20 116.20 1om4 s ILE 574 Ca 0.02 -0.05 -0.16 0.00 0.00 0.00 0.00 60.65 60.46 1om4 s ILE 574 Cb -0.15 -0.56 0.14 0.00 0.01 0.00 0.00 42.46 41.90 1om4 s ILE 574 CO 0.00 0.24 0.59 0.61 0.00 0.00 0.00 174.94 176.38 1om4 n GLY 575 N 4.40 -0.45 2.50 6.18 0.00 -1.26 0.27 105.19 116.82 1om4 n GLY 575 Ca -0.19 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1om4 n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1om4 n GLY 576 N -1.17 2.96 3.79 -0.02 0.00 -1.26 -3.36 105.19 106.12 1om4 n GLY 576 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1om4 n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1om4 s LEU 577 N 0.00 4.12 -0.22 0.99 1.43 0.14 -5.03 118.68 120.12 1om4 s LEU 577 Ca 0.00 1.90 -0.00 0.00 -1.03 0.00 0.00 54.13 55.00 1om4 s LEU 577 Cb 0.00 -4.25 0.02 0.00 0.03 0.00 0.00 46.19 41.99 1om4 s LEU 577 CO 0.00 -0.38 -0.12 -1.61 0.23 0.00 0.00 176.35 174.47 1om4 s GLU 578 N -2.59 2.87 -0.60 1.70 2.02 -1.26 -1.52 118.70 119.31 1om4 s GLU 578 Ca 0.58 -0.93 -0.10 0.00 0.02 0.00 0.00 54.97 54.53 1om4 s GLU 578 Cb -0.18 -2.81 0.15 0.00 0.10 0.00 0.00 34.13 31.40 1om4 s GLU 578 CO 0.23 -0.33 0.49 -0.06 0.02 0.00 0.00 175.26 175.61 1om4 s PHE 579 N 1.29 3.48 -0.92 1.61 0.40 0.75 0.30 117.98 124.90 1om4 s PHE 579 Ca 0.01 -1.99 0.17 0.00 -0.60 0.00 0.00 56.93 54.52 1om4 s PHE 579 Cb -0.15 -3.56 0.70 0.00 0.51 0.00 0.00 43.02 40.51 1om4 s PHE 579 CO -0.08 -0.97 1.52 -1.13 0.70 0.00 0.00 175.22 175.27 1om4 n SER 580 N 4.45 0.11 -3.73 1.36 3.41 -1.26 -1.33 113.62 116.63 1om4 n SER 580 Ca -0.00 0.53 -0.29 0.00 -0.26 0.00 0.00 58.87 58.84 1om4 n SER 580 Cb 0.42 -0.55 -0.15 0.00 -0.26 0.00 0.00 64.21 63.66 1om4 n SER 580 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1om4 s ALA 581 N -3.05 1.38 -0.41 7.33 0.00 -1.22 -4.65 121.76 121.15 1om4 s ALA 581 Ca 0.07 -1.41 0.09 0.00 0.00 0.00 0.00 51.96 50.71 1om4 s ALA 581 Cb 0.10 -1.50 0.31 0.00 0.00 0.00 0.00 23.12 22.03 1om4 s ALA 581 CO 0.30 -1.54 0.81 0.00 0.00 0.00 0.00 175.76 175.33 1om4 n PRO 583 N 0.64 2.48 -4.12 0.00 -0.04 -1.19 -4.70 135.00 128.07 1om4 n PRO 583 Ca 0.18 0.88 -0.13 0.00 -0.04 0.00 0.00 63.50 64.39 1om4 n PRO 583 Cb 0.64 -2.63 -0.11 0.00 -0.04 0.00 0.00 33.50 31.36 1om4 n PRO 583 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1om4 s PHE 584 N 0.05 0.84 0.04 0.54 -0.12 -0.71 -1.42 117.98 117.20 1om4 s PHE 584 Ca 0.66 -0.61 -0.10 0.00 -0.05 0.00 0.00 56.93 56.83 1om4 s PHE 584 Cb -0.55 -0.49 0.00 0.00 -0.63 0.00 0.00 43.02 41.36 1om4 s PHE 584 CO 0.48 -0.07 0.20 -1.54 -0.05 0.00 0.00 175.22 174.25 1om4 s SER 585 N -2.06 0.02 0.00 1.98 1.04 -0.01 -1.91 113.70 112.75 1om4 s SER 585 Ca -0.02 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1om4 s SER 585 Cb -0.05 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.36 1om4 s SER 585 CO -0.01 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.25 1om4 n GLY 586 N 0.64 4.09 3.24 7.32 0.00 -1.22 -1.37 105.19 117.89 1om4 n GLY 586 Ca -0.19 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.22 1om4 n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1om4 s TRP 587 N 2.89 0.06 0.49 1.61 -2.14 -1.26 -4.65 118.94 115.94 1om4 s TRP 587 Ca 0.00 -0.46 -0.20 0.00 2.66 0.00 0.00 56.10 58.10 1om4 s TRP 587 Cb 0.00 0.03 -0.08 0.00 -3.10 0.00 0.00 33.47 30.32 1om4 s TRP 587 CO 0.00 -0.59 1.05 0.71 -2.66 0.00 0.00 176.95 175.46 1om4 s TYR 588 N -3.85 2.96 -0.15 1.66 1.51 -1.26 -4.93 117.35 113.29 1om4 s TYR 588 Ca 0.05 1.57 -0.06 0.00 -1.01 0.00 0.00 57.07 57.62 1om4 s TYR 588 Cb 0.04 -3.10 -0.04 0.00 -0.11 0.00 0.00 41.96 38.75 1om4 s TYR 588 CO -0.11 -0.92 0.06 1.41 -1.11 0.00 0.00 175.55 174.88 1om4 s MET 589 N -3.21 3.64 0.23 -0.62 -2.45 -1.26 -1.16 119.30 114.47 1om4 s MET 589 Ca 0.68 -0.33 -0.16 0.00 -1.25 0.00 0.00 55.69 54.63 1om4 s MET 589 Cb -0.18 -3.10 0.25 0.00 1.25 0.00 0.00 34.83 33.06 1om4 s MET 589 CO 0.21 0.47 1.57 0.78 1.05 0.00 0.00 175.02 179.09 1om4 h GLY 590 N 6.02 0.17 1.00 2.11 0.00 -0.49 -1.70 103.07 110.18 1om4 h GLY 590 Ca -0.43 0.45 0.13 0.00 0.00 0.00 0.00 47.33 47.47 1om4 h GLY 590 CO 0.64 -0.24 0.38 -0.91 0.00 0.00 0.00 176.54 176.41 1om4 h THR 591 N -0.04 0.56 -1.00 4.70 1.35 -1.94 -2.07 112.91 114.48 1om4 h THR 591 Ca 0.34 0.00 0.08 0.00 -0.55 0.00 0.00 66.41 66.28 1om4 h THR 591 Cb 0.60 0.72 -0.07 0.00 -1.73 0.00 0.00 68.15 67.67 1om4 h THR 591 CO -0.91 0.00 0.64 -0.33 -0.25 0.00 0.00 175.52 174.67 1om4 h GLU 592 N 0.00 1.10 0.00 4.72 5.08 -1.71 0.22 114.58 123.99 1om4 h GLU 592 Ca 0.21 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.35 1om4 h GLU 592 Cb 0.96 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1om4 h GLU 592 CO -0.00 0.72 -1.04 -0.89 -1.00 0.00 0.00 179.01 176.80 1om4 n ILE 593 N -4.53 1.49 -0.13 3.13 5.41 -0.83 -1.73 119.36 122.17 1om4 n ILE 593 Ca 0.16 0.05 -0.03 0.00 1.00 0.00 0.00 62.75 63.93 1om4 n ILE 593 Cb 0.22 -2.17 0.20 0.00 -0.71 0.00 0.00 39.64 37.18 1om4 n ILE 593 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1om4 h GLY 594 N -1.00 0.89 0.00 7.39 0.00 -1.47 0.16 103.07 109.03 1om4 h GLY 594 Ca -0.24 -0.50 -0.08 0.00 0.00 0.00 0.00 47.33 46.52 1om4 h GLY 594 CO -0.14 0.47 -0.92 -0.62 0.00 0.00 0.00 176.54 175.33 1om4 n VAL 595 N -4.28 1.47 0.05 4.60 0.31 0.03 -3.91 118.33 116.58 1om4 n VAL 595 Ca 0.04 0.11 -0.03 0.00 -0.01 0.00 0.00 64.34 64.45 1om4 n VAL 595 Cb 0.21 -2.28 -0.02 0.00 -0.91 0.00 0.00 33.84 30.85 1om4 n VAL 595 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1om4 h ARG 596 N -1.00 -0.21 -0.73 5.55 2.47 -1.51 -2.02 114.38 116.94 1om4 h ARG 596 Ca -0.12 0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 58.58 1om4 h ARG 596 Cb 0.85 0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 29.18 1om4 h ARG 596 CO -0.07 -0.14 0.31 -0.44 0.56 0.00 0.00 179.97 180.18 1om4 h ASP 597 N -1.04 0.97 0.32 7.04 3.32 -1.15 -2.30 116.42 123.58 1om4 h ASP 597 Ca -0.02 -0.13 -0.33 0.00 0.02 0.00 0.00 57.03 56.57 1om4 h ASP 597 Cb 0.17 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1om4 h ASP 597 CO 0.04 0.85 -1.77 1.88 -1.72 0.00 0.00 179.24 178.52 1om4 h TYR 598 N 1.05 0.36 0.00 4.55 0.99 -0.87 -2.61 116.97 120.44 1om4 h TYR 598 Ca 0.25 -0.26 0.00 0.00 2.00 0.00 0.00 58.73 60.71 1om4 h TYR 598 Cb 0.17 -0.01 0.00 0.00 1.00 0.00 0.00 36.73 37.89 1om4 h TYR 598 CO 0.02 1.46 -0.64 0.00 -0.00 0.00 0.00 178.16 178.99 1om4 n ASP 600 N -1.32 3.32 0.13 0.00 9.92 -0.87 -4.61 116.55 123.12 1om4 n ASP 600 Ca 0.02 1.15 0.07 0.00 -0.53 0.00 0.00 54.79 55.51 1om4 n ASP 600 Cb 0.21 -1.52 0.55 0.00 -0.64 0.00 0.00 41.12 39.72 1om4 n ASP 600 CO 0.00 0.00 0.00 -1.13 0.13 0.00 0.00 177.20 176.20 1om4 h ASN 601 N 4.36 0.20 -0.15 -2.24 -0.73 -1.93 -0.93 115.58 114.16 1om4 h ASN 601 Ca -0.46 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.70 1om4 h ASN 601 Cb 1.25 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 39.79 1om4 h ASN 601 CO 0.76 0.14 0.00 -1.54 -0.37 0.00 0.00 177.43 176.43 1om4 n SER 602 N -4.51 1.50 0.00 1.15 3.41 -1.26 -4.52 113.62 109.40 1om4 n SER 602 Ca 0.00 -1.68 0.00 0.00 -0.26 0.00 0.00 58.87 56.94 1om4 n SER 602 Cb 0.11 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1om4 n SER 602 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1om4 n ARG 603 N 0.21 1.61 0.18 4.33 5.12 -0.39 -4.32 116.66 123.41 1om4 n ARG 603 Ca 0.16 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 56.21 1om4 n ARG 603 Cb 0.30 0.00 0.63 0.00 -1.16 0.00 0.00 32.46 32.24 1om4 n ARG 603 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1om4 h TYR 604 N 0.00 0.00 -6.13 -1.55 -1.99 -1.62 -3.43 116.97 102.25 1om4 h TYR 604 Ca 0.00 0.00 -0.35 0.00 2.00 0.00 0.00 58.73 60.38 1om4 h TYR 604 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1om4 h TYR 604 CO 0.00 0.00 -0.81 -1.71 -0.00 0.00 0.00 178.16 175.64 1om4 n ASN 605 N -2.45 -3.46 -0.81 3.88 4.05 -1.00 -4.88 115.26 110.59 1om4 n ASN 605 Ca 0.00 -0.62 0.09 0.00 0.45 0.00 0.00 54.58 54.49 1om4 n ASN 605 Cb 0.15 -1.13 0.13 0.00 1.23 0.00 0.00 39.78 40.16 1om4 n ASN 605 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 1om4 n ILE 606 N -1.77 0.34 -0.06 -1.44 -5.35 -0.44 -4.73 119.36 105.92 1om4 n ILE 606 Ca -0.21 -0.67 -0.08 0.00 -0.27 0.00 0.00 62.75 61.51 1om4 n ILE 606 Cb 0.50 1.07 -0.02 0.00 -1.74 0.00 0.00 39.64 39.44 1om4 n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 1om4 h LEU 607 N 3.35 -0.93 -0.05 7.28 3.38 -1.86 -2.27 115.31 124.20 1om4 h LEU 607 Ca 0.00 0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.16 1om4 h LEU 607 Cb 0.78 0.43 -0.04 0.00 0.09 0.00 0.00 40.66 41.91 1om4 h LEU 607 CO 0.00 -0.31 -0.18 -0.33 0.09 0.00 0.00 178.44 177.71 1om4 h GLU 608 N -0.28 -0.26 -0.43 1.13 5.08 -1.99 0.13 114.58 117.96 1om4 h GLU 608 Ca 0.14 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.61 1om4 h GLU 608 Cb 0.51 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.73 1om4 h GLU 608 CO -0.43 -0.17 -0.16 0.93 -1.00 0.00 0.00 179.01 178.17 1om4 h GLU 609 N -0.27 -0.07 -0.37 2.33 5.08 -1.84 0.89 114.58 120.33 1om4 h GLU 609 Ca 0.07 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 1om4 h GLU 609 Cb 0.37 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1om4 h GLU 609 CO -0.21 -0.05 -0.02 0.28 -1.00 0.00 0.00 179.01 178.01 1om4 h VAL 610 N -0.07 1.22 -0.34 3.13 2.07 -1.06 -2.43 116.25 118.76 1om4 h VAL 610 Ca 0.21 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 1om4 h VAL 610 Cb 0.39 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1om4 h VAL 610 CO -0.48 0.30 0.14 0.00 0.02 0.00 0.00 177.57 177.56 1om4 h ALA 611 N 1.42 0.44 -0.76 1.67 0.00 0.11 -2.17 119.26 119.96 1om4 h ALA 611 Ca 0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1om4 h ALA 611 Cb 0.39 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1om4 h ALA 611 CO 0.02 0.04 0.45 0.87 0.00 0.00 0.00 179.25 180.62 1om4 h LYS 612 N 0.41 1.05 0.00 0.00 1.57 -0.66 -1.58 116.57 117.35 1om4 h LYS 612 Ca 0.11 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1om4 h LYS 612 Cb 0.17 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1om4 h LYS 612 CO -0.01 0.75 -0.11 0.87 -0.57 0.00 0.00 179.45 180.38 1om4 h LYS 613 N 1.05 0.00 0.00 3.15 1.79 -1.22 -1.57 116.57 119.77 1om4 h LYS 613 Ca 0.27 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 1om4 h LYS 613 Cb -0.02 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.63 1om4 h LYS 613 CO -0.05 0.11 -0.56 -1.33 -1.08 0.00 0.00 179.45 176.55 1om4 n MET 614 N -3.59 0.01 -3.41 3.15 2.81 -0.75 -4.97 117.12 110.36 1om4 n MET 614 Ca -0.02 0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.71 1om4 n MET 614 Cb 0.24 -1.50 0.09 0.00 -0.71 0.00 0.00 33.22 31.34 1om4 n MET 614 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1om4 n ASP 615 N -1.51 -2.19 -4.91 7.83 2.03 -0.59 -5.01 116.55 112.20 1om4 n ASP 615 Ca 0.05 -0.62 -0.28 0.00 0.52 0.00 0.00 54.79 54.46 1om4 n ASP 615 Cb 0.34 -5.09 -0.03 0.00 -0.72 0.00 0.00 41.12 35.62 1om4 n ASP 615 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1om4 s LEU 616 N -6.29 4.12 -0.81 -2.67 1.43 -1.11 -5.01 118.68 108.34 1om4 s LEU 616 Ca 0.02 0.61 -0.25 0.00 -1.03 0.00 0.00 54.13 53.47 1om4 s LEU 616 Cb -0.00 -3.41 0.01 0.00 0.03 0.00 0.00 46.19 42.82 1om4 s LEU 616 CO 0.72 -0.14 1.53 -0.62 0.23 0.00 0.00 176.35 178.08 1om4 s ASP 617 N -3.14 5.94 -0.04 2.29 3.68 -1.26 -4.80 116.67 119.34 1om4 s ASP 617 Ca 0.42 -0.60 0.10 0.00 2.13 0.00 0.00 52.55 54.60 1om4 s ASP 617 Cb -0.11 -2.56 0.36 0.00 -1.45 0.00 0.00 42.92 39.17 1om4 s ASP 617 CO 0.29 -1.98 1.22 0.23 0.13 0.00 0.00 175.17 175.07 1om4 n MET 618 N 9.14 2.28 -0.00 4.34 2.81 -1.26 -4.13 117.12 130.29 1om4 n MET 618 Ca 0.20 -1.44 -0.18 0.00 -1.81 0.00 0.00 57.70 54.46 1om4 n MET 618 Cb 0.50 -1.51 -0.08 0.00 -0.71 0.00 0.00 33.22 31.41 1om4 n MET 618 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1om4 h ARG 619 N 2.13 0.77 -6.08 0.03 3.08 -2.04 -3.45 114.38 108.82 1om4 h ARG 619 Ca 0.00 -0.69 -0.65 0.00 0.07 0.00 0.00 59.98 58.71 1om4 h ARG 619 Cb 0.78 0.16 -0.31 0.00 0.08 0.00 0.00 29.97 30.68 1om4 h ARG 619 CO 0.09 1.28 -0.87 -1.59 -1.07 0.00 0.00 179.97 177.81 1om4 s LYS 620 N -3.61 2.11 0.35 0.04 -2.85 -1.26 -5.02 119.74 109.51 1om4 s LYS 620 Ca -0.10 -0.83 0.07 0.00 -1.00 0.00 0.00 55.97 54.11 1om4 s LYS 620 Cb 0.08 -1.91 0.66 0.00 -2.06 0.00 0.00 37.83 34.59 1om4 s LYS 620 CO 0.91 0.43 1.85 1.79 0.10 0.00 0.00 175.35 180.43 1om4 h THR 621 N 4.83 1.21 0.00 3.79 1.35 -1.90 -2.68 112.91 119.51 1om4 h THR 621 Ca -0.37 -0.95 0.00 0.00 -0.55 0.00 0.00 66.41 64.54 1om4 h THR 621 Cb 1.15 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 1om4 h THR 621 CO 0.47 0.30 0.00 -1.54 -0.25 0.00 0.00 175.52 174.50 1om4 n SER 622 N -4.22 0.00 0.05 5.36 3.41 -1.26 -0.41 113.62 116.55 1om4 n SER 622 Ca -0.00 0.27 0.13 0.00 -0.26 0.00 0.00 58.87 59.01 1om4 n SER 622 Cb 0.31 -0.33 0.49 0.00 -0.26 0.00 0.00 64.21 64.42 1om4 n SER 622 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1om4 n SER 623 N -1.33 0.39 -3.28 4.04 3.41 -1.01 -4.92 113.62 110.92 1om4 n SER 623 Ca 0.02 0.48 -0.24 0.00 -0.26 0.00 0.00 58.87 58.87 1om4 n SER 623 Cb 0.05 -0.55 0.04 0.00 -0.26 0.00 0.00 64.21 63.49 1om4 n SER 623 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1om4 n LEU 624 N -1.84 -2.75 -0.28 1.04 4.77 0.45 -4.89 117.00 113.50 1om4 n LEU 624 Ca 0.06 -0.40 -0.06 0.00 -0.03 0.00 0.00 56.01 55.58 1om4 n LEU 624 Cb 0.38 -2.88 0.06 0.00 -2.33 0.00 0.00 43.42 38.66 1om4 n LEU 624 CO 0.29 0.36 1.04 4.11 -1.33 0.00 0.00 177.39 181.85 1om4 h TRP 625 N -1.75 1.19 -0.95 -1.77 5.08 -1.83 -1.18 115.95 114.74 1om4 h TRP 625 Ca -0.54 -0.09 0.04 0.00 1.08 0.00 0.00 58.89 59.38 1om4 h TRP 625 Cb 1.36 -0.35 -0.06 0.00 -3.00 0.00 0.00 29.16 27.11 1om4 h TRP 625 CO 0.54 0.91 0.61 0.87 -1.28 0.00 0.00 178.44 180.09 1om4 h LYS 626 N 1.13 1.15 -0.30 0.12 1.57 -1.90 -0.22 116.57 118.12 1om4 h LYS 626 Ca 0.26 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.88 1om4 h LYS 626 Cb 0.23 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1om4 h LYS 626 CO -0.02 0.76 -0.17 -0.44 -0.57 0.00 0.00 179.45 179.01 1om4 h ASP 627 N 1.18 0.67 -0.50 0.86 5.19 -1.82 -0.75 116.42 121.25 1om4 h ASP 627 Ca 0.38 -0.42 -0.02 0.00 -0.62 0.00 0.00 57.03 56.35 1om4 h ASP 627 Cb 0.02 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.32 1om4 h ASP 627 CO -0.13 0.95 0.23 1.56 -3.12 0.00 0.00 179.24 178.73 1om4 h GLN 628 N 0.39 0.73 -0.41 3.56 4.20 -0.80 -2.25 115.11 120.54 1om4 h GLN 628 Ca 0.06 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 1om4 h GLN 628 Cb 0.71 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 1om4 h GLN 628 CO 0.05 0.63 0.12 0.00 -0.67 0.00 0.00 178.83 178.96 1om4 h ALA 629 N 1.07 0.54 -0.46 3.87 0.00 -1.02 -2.77 119.26 120.49 1om4 h ALA 629 Ca 0.17 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.00 1om4 h ALA 629 Cb 0.15 -0.16 -0.09 0.00 0.00 0.00 0.00 17.79 17.69 1om4 h ALA 629 CO -0.02 0.19 -0.10 1.25 0.00 0.00 0.00 179.25 180.58 1om4 h LEU 630 N 0.52 -0.39 -0.17 0.00 5.85 -0.84 0.04 115.31 120.31 1om4 h LEU 630 Ca 0.13 0.13 0.03 0.00 0.84 0.00 0.00 57.88 59.02 1om4 h LEU 630 Cb 0.27 0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1om4 h LEU 630 CO -0.00 -0.14 -0.01 0.58 -0.34 0.00 0.00 178.44 178.53 1om4 h VAL 631 N 0.02 0.87 -0.64 1.05 2.07 -1.26 -2.00 116.25 116.36 1om4 h VAL 631 Ca 0.23 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.76 1om4 h VAL 631 Cb 0.34 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 1om4 h VAL 631 CO -0.46 0.01 0.39 -0.33 0.02 0.00 0.00 177.57 177.19 1om4 h GLU 632 N 0.05 0.73 -0.49 1.57 4.39 -1.06 -0.24 114.58 119.52 1om4 h GLU 632 Ca 0.08 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 1om4 h GLU 632 Cb 0.10 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 1om4 h GLU 632 CO -0.14 0.48 0.29 0.82 -1.16 0.00 0.00 179.01 179.30 1om4 h ILE 633 N 0.75 1.14 0.00 3.13 2.04 -0.69 -1.85 117.51 122.04 1om4 h ILE 633 Ca 0.26 -0.32 -0.09 0.00 1.00 0.00 0.00 64.86 65.71 1om4 h ILE 633 Cb 0.05 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1om4 h ILE 633 CO -0.12 0.15 -0.52 0.78 0.00 0.00 0.00 178.15 178.44 1om4 h ASN 634 N 0.68 0.00 -0.06 1.72 4.21 -0.59 -2.63 115.58 118.92 1om4 h ASN 634 Ca 0.18 0.00 -0.18 0.00 1.21 0.00 0.00 56.30 57.51 1om4 h ASN 634 Cb -0.02 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.18 1om4 h ASN 634 CO -0.03 0.39 -0.62 0.40 -1.29 0.00 0.00 177.43 176.28 1om4 h ILE 635 N 0.00 1.31 0.57 2.81 2.04 -0.55 -2.92 117.51 120.77 1om4 h ILE 635 Ca -0.02 -1.86 -0.03 0.00 1.00 0.00 0.00 64.86 63.95 1om4 h ILE 635 Cb 1.32 1.82 0.01 0.00 -0.74 0.00 0.00 36.82 39.22 1om4 h ILE 635 CO 0.05 0.59 -0.27 0.00 0.00 0.00 0.00 178.15 178.51 1om4 h ALA 636 N 0.81 -0.76 -0.58 1.87 0.00 -1.34 -0.41 119.26 118.86 1om4 h ALA 636 Ca -0.01 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 54.82 1om4 h ALA 636 Cb 1.20 0.29 -0.11 0.00 0.00 0.00 0.00 17.79 19.17 1om4 h ALA 636 CO 0.12 -0.82 -0.25 0.28 0.00 0.00 0.00 179.25 178.58 1om4 h VAL 637 N -0.97 0.27 -0.60 0.00 2.07 -1.54 0.68 116.25 116.17 1om4 h VAL 637 Ca -0.08 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1om4 h VAL 637 Cb 0.64 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1om4 h VAL 637 CO 0.13 0.00 0.33 -0.07 0.02 0.00 0.00 177.57 177.98 1om4 h LEU 638 N -0.10 0.74 -0.34 2.57 3.38 -1.50 -1.86 115.31 118.20 1om4 h LEU 638 Ca 0.26 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1om4 h LEU 638 Cb 0.51 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1om4 h LEU 638 CO -0.65 0.61 0.20 0.22 0.09 0.00 0.00 178.44 178.92 1om4 h TYR 639 N 0.81 0.45 0.09 1.13 3.20 0.83 -1.49 116.97 122.00 1om4 h TYR 639 Ca 0.21 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.08 1om4 h TYR 639 Cb 0.03 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 1om4 h TYR 639 CO -0.01 0.34 -0.09 0.77 -1.64 0.00 0.00 178.16 177.52 1om4 h SER 640 N 0.43 -0.25 -0.42 -2.11 0.02 0.54 0.66 113.55 112.43 1om4 h SER 640 Ca 0.12 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1om4 h SER 640 Cb 0.02 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1om4 h SER 640 CO -0.02 -0.15 0.25 -0.26 -1.14 0.00 0.00 176.83 175.51 1om4 h PHE 641 N -0.21 0.55 -0.50 3.45 -1.00 -1.29 -1.87 116.94 116.07 1om4 h PHE 641 Ca 0.01 -0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.72 1om4 h PHE 641 Cb 0.20 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 39.56 1om4 h PHE 641 CO -0.11 0.39 0.07 1.96 -1.61 0.00 0.00 178.31 179.01 1om4 h GLN 642 N 0.55 0.78 -0.26 1.51 4.20 -1.15 0.49 115.11 121.23 1om4 h GLN 642 Ca 0.15 -0.18 -0.10 0.00 0.06 0.00 0.00 58.65 58.58 1om4 h GLN 642 Cb 0.00 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 1om4 h GLN 642 CO -0.03 0.75 -0.28 0.77 -0.67 0.00 0.00 178.83 179.37 1om4 h SER 643 N 0.75 0.52 -0.37 1.46 0.02 -0.52 -2.58 113.55 112.83 1om4 h SER 643 Ca 0.16 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1om4 h SER 643 Cb 0.36 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1om4 h SER 643 CO 0.01 0.78 0.00 0.47 -1.14 0.00 0.00 176.83 176.95 1om4 n ASP 644 N -4.10 2.23 -1.60 3.07 8.00 -0.74 -4.91 116.55 118.50 1om4 n ASP 644 Ca -0.01 -2.07 -0.16 0.00 0.71 0.00 0.00 54.79 53.26 1om4 n ASP 644 Cb 0.43 -0.30 -0.03 0.00 -0.02 0.00 0.00 41.12 41.19 1om4 n ASP 644 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1om4 n LYS 645 N 0.56 -1.23 -3.56 -1.24 3.00 -0.96 -4.99 118.16 109.74 1om4 n LYS 645 Ca 0.13 0.91 -0.36 0.00 -0.00 0.00 0.00 58.31 58.98 1om4 n LYS 645 Cb 0.38 -5.22 -0.07 0.00 0.00 0.00 0.00 35.03 30.12 1om4 n LYS 645 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1om4 s VAL 646 N -2.72 5.32 0.33 3.15 1.01 0.12 -4.35 120.40 123.26 1om4 s VAL 646 Ca 0.00 0.51 -0.28 0.00 0.00 0.00 0.00 61.98 62.20 1om4 s VAL 646 Cb 0.00 -3.61 -0.12 0.00 0.00 0.00 0.00 36.38 32.65 1om4 s VAL 646 CO 0.00 0.40 1.34 0.41 0.00 0.00 0.00 175.10 177.25 1om4 n THR 647 N 3.50 1.83 -3.58 3.92 -1.04 -0.10 -4.21 114.28 114.60 1om4 n THR 647 Ca -0.13 -0.46 -0.09 0.00 -2.04 0.00 0.00 64.05 61.34 1om4 n THR 647 Cb 0.52 -1.61 -0.05 0.00 -1.82 0.00 0.00 70.33 67.37 1om4 n THR 647 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1om4 s ILE 648 N -0.92 0.00 -0.01 12.58 2.07 -1.26 -4.50 121.20 129.15 1om4 s ILE 648 Ca 0.57 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.85 1om4 s ILE 648 Cb -0.57 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.02 1om4 s ILE 648 CO 0.60 0.00 -0.12 0.54 -1.91 0.00 0.00 174.94 174.05 1om4 s VAL 649 N -1.32 0.95 0.69 4.00 0.11 -0.31 -4.98 120.40 119.55 1om4 s VAL 649 Ca 0.01 -0.50 -0.11 0.00 -2.93 0.00 0.00 61.98 58.45 1om4 s VAL 649 Cb -0.01 -0.81 0.00 0.00 -1.53 0.00 0.00 36.38 34.04 1om4 s VAL 649 CO -0.01 0.28 1.08 1.51 -3.33 0.00 0.00 175.10 174.63 1om4 s ASP 650 N -0.17 5.62 0.54 3.54 -4.77 -1.26 0.27 116.67 120.44 1om4 s ASP 650 Ca 0.03 1.20 0.30 0.00 -3.30 0.00 0.00 52.55 50.77 1om4 s ASP 650 Cb -0.06 -2.05 1.51 0.00 -1.09 0.00 0.00 42.92 41.23 1om4 s ASP 650 CO -0.00 -1.24 2.07 1.12 0.70 0.00 0.00 175.17 177.83 1om4 h HIS 651 N -0.58 0.00 0.07 2.11 2.07 -1.97 -1.90 115.15 114.94 1om4 h HIS 651 Ca -0.45 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.07 1om4 h HIS 651 Cb 1.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.22 1om4 h HIS 651 CO 0.54 0.10 -0.03 0.45 -3.07 0.00 0.00 177.93 175.91 1om4 h HIS 652 N 0.00 -0.08 -0.44 6.12 3.86 -1.96 -2.50 115.15 120.15 1om4 h HIS 652 Ca -0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1om4 h HIS 652 Cb 0.36 0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.84 1om4 h HIS 652 CO 0.00 0.48 0.28 1.03 0.86 0.00 0.00 177.93 180.58 1om4 h SER 653 N -0.74 0.51 -0.76 2.45 0.87 -1.93 -1.38 113.55 112.58 1om4 h SER 653 Ca -0.01 -0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.46 1om4 h SER 653 Cb 0.60 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.40 1om4 h SER 653 CO 0.01 0.39 0.26 0.00 -0.53 0.00 0.00 176.83 176.96 1om4 h ALA 654 N 1.14 0.99 -0.10 6.23 0.00 -1.44 -1.37 119.26 124.72 1om4 h ALA 654 Ca 0.16 -0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 1om4 h ALA 654 Cb -0.04 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 1om4 h ALA 654 CO -0.03 0.66 -0.71 1.79 0.00 0.00 0.00 179.25 180.96 1om4 h THR 655 N 1.12 1.36 -0.52 0.00 1.35 -1.31 -1.26 112.91 113.65 1om4 h THR 655 Ca 0.25 -2.08 -0.01 0.00 -0.55 0.00 0.00 66.41 64.02 1om4 h THR 655 Cb 0.29 2.06 -0.02 0.00 -1.73 0.00 0.00 68.15 68.74 1om4 h THR 655 CO -0.01 0.63 0.30 -0.08 -0.25 0.00 0.00 175.52 176.11 1om4 h GLU 656 N 0.33 0.71 -0.58 4.72 4.81 -1.05 -1.66 114.58 121.86 1om4 h GLU 656 Ca -0.03 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.06 1om4 h GLU 656 Cb 1.29 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.50 1om4 h GLU 656 CO 0.13 0.54 0.12 0.77 -0.73 0.00 0.00 179.01 179.83 1om4 h SER 657 N 0.69 0.87 -0.72 1.04 0.02 -1.10 -2.45 113.55 111.90 1om4 h SER 657 Ca 0.18 -0.18 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 1om4 h SER 657 Cb 0.02 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.30 1om4 h SER 657 CO -0.03 0.86 0.22 0.15 -1.14 0.00 0.00 176.83 176.89 1om4 h PHE 658 N 0.88 1.17 -0.49 3.45 3.57 -0.72 0.72 116.94 125.52 1om4 h PHE 658 Ca 0.18 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1om4 h PHE 658 Cb 0.35 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 1om4 h PHE 658 CO 0.02 0.93 0.32 0.82 -2.23 0.00 0.00 178.31 178.17 1om4 h ILE 659 N 1.09 1.13 -0.27 1.41 1.08 -1.01 0.47 117.51 121.40 1om4 h ILE 659 Ca 0.24 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 1om4 h ILE 659 Cb 0.31 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 34.47 1om4 h ILE 659 CO -0.01 0.13 0.17 0.50 -0.69 0.00 0.00 178.15 178.26 1om4 h LYS 660 N 0.66 0.37 -0.25 2.37 3.64 -1.04 -1.37 116.57 120.95 1om4 h LYS 660 Ca 0.18 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.56 1om4 h LYS 660 Cb -0.06 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 1om4 h LYS 660 CO -0.04 0.26 0.08 1.25 -2.27 0.00 0.00 179.45 178.73 1om4 h HIS 661 N 0.36 0.14 -0.62 1.91 2.76 -0.25 -0.57 115.15 118.88 1om4 h HIS 661 Ca 0.10 0.01 0.10 0.00 -2.20 0.00 0.00 60.37 58.39 1om4 h HIS 661 Cb -0.02 -0.03 -0.08 0.00 1.55 0.00 0.00 27.41 28.84 1om4 h HIS 661 CO -0.05 0.06 0.22 1.98 -1.30 0.00 0.00 177.93 178.84 1om4 h MET 662 N 0.19 0.38 -0.23 5.26 4.05 0.32 0.26 114.93 125.16 1om4 h MET 662 Ca 0.11 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.50 1om4 h MET 662 Cb 0.09 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 1om4 h MET 662 CO -0.12 0.25 0.11 0.93 0.23 0.00 0.00 176.91 178.31 1om4 h GLU 663 N 0.39 0.33 -0.39 0.39 5.08 -0.64 0.49 114.58 120.23 1om4 h GLU 663 Ca 0.32 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.68 1om4 h GLU 663 Cb 0.42 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 1om4 h GLU 663 CO -0.33 0.33 0.16 -0.91 -1.00 0.00 0.00 179.01 177.25 1om4 h ASN 664 N 0.24 0.20 -0.90 1.42 2.35 -0.13 -1.98 115.58 116.79 1om4 h ASN 664 Ca 0.08 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 1om4 h ASN 664 Cb 0.10 0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.44 1om4 h ASN 664 CO -0.01 0.15 0.52 -0.33 -1.65 0.00 0.00 177.43 176.11 1om4 h GLU 665 N 0.33 1.23 -0.52 0.81 4.39 -0.16 -1.36 114.58 119.30 1om4 h GLU 665 Ca 0.17 -0.12 -0.09 0.00 0.34 0.00 0.00 59.36 59.66 1om4 h GLU 665 Cb 0.13 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.51 1om4 h GLU 665 CO -0.16 0.87 -0.04 1.88 -1.16 0.00 0.00 179.01 180.41 1om4 h TYR 666 N 1.24 0.98 0.00 4.33 -1.99 -0.43 0.42 116.97 121.52 1om4 h TYR 666 Ca 0.32 -0.16 0.00 0.00 2.00 0.00 0.00 58.73 60.89 1om4 h TYR 666 Cb -0.02 -0.26 0.00 0.00 2.00 0.00 0.00 36.73 38.45 1om4 h TYR 666 CO 0.00 0.90 -0.24 2.89 -0.00 0.00 0.00 178.16 181.72 1om4 n ARG 667 N -4.18 0.21 -0.01 4.88 1.85 -0.79 -2.03 116.66 116.59 1om4 n ARG 667 Ca 0.02 0.13 0.01 0.00 -1.00 0.00 0.00 57.85 57.01 1om4 n ARG 667 Cb 0.34 -1.70 -0.04 0.00 -1.05 0.00 0.00 32.46 30.01 1om4 n ARG 667 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1om4 n ARG 669 N -1.89 5.72 -0.80 0.00 0.63 0.14 -5.01 116.66 115.45 1om4 n ARG 669 Ca -0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.89 1om4 n ARG 669 Cb 0.35 -0.48 0.00 0.00 0.45 0.00 0.00 32.46 32.78 1om4 n ARG 669 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1om4 n GLY 670 N 1.00 0.55 0.00 5.14 0.00 -0.86 -4.52 105.19 106.49 1om4 n GLY 670 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1om4 n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1om4 n GLY 671 N -2.80 0.06 3.15 -0.02 0.00 -1.14 -0.91 105.19 103.51 1om4 n GLY 671 Ca 0.00 -1.33 0.04 0.00 0.00 0.00 0.00 46.02 44.72 1om4 n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1om4 s PRO 673 N 2.84 4.22 -0.13 0.00 0.04 -1.26 -4.66 135.00 136.05 1om4 s PRO 673 Ca 0.16 2.39 -0.11 0.00 0.04 0.00 0.00 61.00 63.48 1om4 s PRO 673 Cb -0.13 -3.08 0.04 0.00 0.04 0.00 0.00 34.50 31.37 1om4 s PRO 673 CO -0.23 -0.49 0.35 0.00 0.04 0.00 0.00 177.00 176.67 1om4 s ALA 674 N 0.01 -0.87 -0.59 8.56 0.00 -0.39 -4.33 121.76 124.15 1om4 s ALA 674 Ca 0.61 1.07 -0.11 0.00 0.00 0.00 0.00 51.96 53.52 1om4 s ALA 674 Cb -0.44 -0.63 0.15 0.00 0.00 0.00 0.00 23.12 22.20 1om4 s ALA 674 CO 0.45 -0.18 0.49 0.34 0.00 0.00 0.00 175.76 176.86 1om4 s ASP 675 N 0.45 6.02 0.29 0.00 3.68 0.33 -3.41 116.67 124.03 1om4 s ASP 675 Ca -0.02 -2.18 0.03 0.00 2.13 0.00 0.00 52.55 52.51 1om4 s ASP 675 Cb -0.04 -2.09 0.73 0.00 -1.45 0.00 0.00 42.92 40.07 1om4 s ASP 675 CO -0.02 -0.67 1.66 -0.25 0.13 0.00 0.00 175.17 176.02 1om4 h TRP 676 N 8.24 0.44 -0.68 -5.34 7.01 -1.90 0.10 115.95 123.81 1om4 h TRP 676 Ca -0.14 0.05 0.10 0.00 2.11 0.00 0.00 58.89 61.01 1om4 h TRP 676 Cb 1.06 -0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 28.02 1om4 h TRP 676 CO 0.76 -0.17 0.45 0.28 -2.79 0.00 0.00 178.44 176.97 1om4 h VAL 677 N 0.25 0.91 0.00 2.65 2.07 -1.93 -1.74 116.25 118.46 1om4 h VAL 677 Ca 0.56 -0.18 -0.29 0.00 0.82 0.00 0.00 66.70 67.61 1om4 h VAL 677 Cb 1.12 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 1om4 h VAL 677 CO -0.62 0.10 -1.99 0.79 0.02 0.00 0.00 177.57 175.87 1om4 n TRP 678 N -4.48 0.49 -0.00 1.57 7.02 -0.20 -4.49 117.44 117.35 1om4 n TRP 678 Ca 0.11 0.17 -0.16 0.00 -1.02 0.00 0.00 57.50 56.60 1om4 n TRP 678 Cb 0.36 -1.04 -0.06 0.00 -2.42 0.00 0.00 31.31 28.15 1om4 n TRP 678 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 1om4 h ILE 679 N 0.00 1.29 -2.87 -0.99 1.08 -0.75 -3.43 117.51 111.84 1om4 h ILE 679 Ca -0.37 -2.04 -0.55 0.00 -0.39 0.00 0.00 64.86 61.51 1om4 h ILE 679 Cb 1.99 2.06 -0.01 0.00 -3.07 0.00 0.00 36.82 37.78 1om4 h ILE 679 CO 0.05 0.64 0.88 -0.69 -0.69 0.00 0.00 178.15 178.34 1om4 s VAL 680 N -3.67 3.85 0.64 1.67 1.01 -0.68 -4.93 120.40 118.30 1om4 s VAL 680 Ca -0.09 1.16 -0.17 0.00 0.00 0.00 0.00 61.98 62.87 1om4 s VAL 680 Cb 0.09 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 1om4 s VAL 680 CO 0.90 -0.04 0.81 -2.65 0.00 0.00 0.00 175.10 174.11 1om4 n PRO 681 N 5.94 0.63 0.00 2.72 -0.02 -1.26 -4.88 135.00 138.12 1om4 n PRO 681 Ca 0.14 0.26 0.08 0.00 -2.02 0.00 0.00 63.50 61.96 1om4 n PRO 681 Cb 0.44 -2.04 0.48 0.00 -0.02 0.00 0.00 33.50 32.36 1om4 n PRO 681 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1om4 n PRO 682 N -0.98 0.53 -3.90 0.52 -0.04 -1.26 -4.28 135.00 125.58 1om4 n PRO 682 Ca 0.13 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.49 1om4 n PRO 682 Cb 0.48 -1.48 -0.09 0.00 -0.04 0.00 0.00 33.50 32.38 1om4 n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1om4 s MET 683 N -2.00 0.66 -1.01 0.54 0.23 -1.26 -4.90 119.30 111.56 1om4 s MET 683 Ca 0.24 -0.79 -0.06 0.00 -1.03 0.00 0.00 55.69 54.06 1om4 s MET 683 Cb 0.11 0.27 0.05 0.00 -1.53 0.00 0.00 34.83 33.72 1om4 s MET 683 CO 0.19 -0.18 0.27 0.43 -2.03 0.00 0.00 175.02 173.69 1om4 n SER 684 N 0.55 -3.13 -0.39 -1.18 7.64 -1.26 -4.86 113.62 110.99 1om4 n SER 684 Ca -0.18 -0.11 -0.09 0.00 1.01 0.00 0.00 58.87 59.49 1om4 n SER 684 Cb 0.59 -2.65 -0.08 0.00 -1.01 0.00 0.00 64.21 61.06 1om4 n SER 684 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1om4 n GLY 685 N -0.94 -2.41 0.00 0.23 0.00 -1.26 -1.62 105.19 99.19 1om4 n GLY 685 Ca -0.04 1.12 0.09 0.00 0.00 0.00 0.00 46.02 47.19 1om4 n GLY 685 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1om4 n SER 686 N -5.21 0.00 -0.70 1.61 3.41 -1.26 -2.30 113.62 109.17 1om4 n SER 686 Ca 0.03 0.39 0.11 0.00 -0.26 0.00 0.00 58.87 59.14 1om4 n SER 686 Cb 0.26 -0.45 0.33 0.00 -0.26 0.00 0.00 64.21 64.08 1om4 n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1om4 n ILE 687 N -1.45 0.28 -4.28 -1.33 -5.35 -0.64 -4.79 119.36 101.80 1om4 n ILE 687 Ca 0.05 -0.45 -0.33 0.00 -0.27 0.00 0.00 62.75 61.76 1om4 n ILE 687 Cb 0.20 0.53 -0.09 0.00 -1.74 0.00 0.00 39.64 38.54 1om4 n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1om4 s THR 688 N -1.72 4.25 0.48 7.28 -4.23 -0.97 -5.03 115.64 115.69 1om4 s THR 688 Ca 0.33 -0.52 0.13 0.00 -1.18 0.00 0.00 61.69 60.45 1om4 s THR 688 Cb 0.19 -2.88 0.28 0.00 1.34 0.00 0.00 72.50 71.42 1om4 s THR 688 CO 0.27 0.41 2.10 1.55 -0.54 0.00 0.00 174.62 178.41 1om4 h PRO 689 N 4.43 0.20 0.00 3.99 0.13 -1.86 -2.88 132.00 136.01 1om4 h PRO 689 Ca -0.49 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 1om4 h PRO 689 Cb 1.18 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 1om4 h PRO 689 CO 0.57 0.13 -0.09 -0.39 -0.23 0.00 0.00 178.00 178.00 1om4 h VAL 690 N 0.20 0.49 -0.95 1.56 -1.51 -1.89 -2.38 116.25 111.79 1om4 h VAL 690 Ca 0.08 -0.43 0.02 0.00 -1.23 0.00 0.00 66.70 65.14 1om4 h VAL 690 Cb 0.06 1.28 -0.05 0.00 -2.13 0.00 0.00 31.29 30.45 1om4 h VAL 690 CO -0.01 0.09 0.62 0.15 -1.23 0.00 0.00 177.57 177.19 1om4 h PHE 691 N 0.00 1.17 -0.18 5.19 3.57 -1.69 -1.86 116.94 123.14 1om4 h PHE 691 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1om4 h PHE 691 Cb 0.28 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 38.62 1om4 h PHE 691 CO 0.00 0.71 0.00 0.72 -2.23 0.00 0.00 178.31 177.51 1om4 n HIS 692 N -4.42 0.23 -3.57 0.41 8.25 -0.90 -4.84 115.22 110.39 1om4 n HIS 692 Ca 0.12 -0.12 -0.40 0.00 -0.26 0.00 0.00 57.72 57.07 1om4 n HIS 692 Cb 0.06 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.06 1om4 n HIS 692 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1om4 s GLN 693 N -1.77 3.56 0.41 -0.41 2.00 -0.70 -1.21 119.66 121.54 1om4 s GLN 693 Ca 0.30 -0.59 -0.25 0.00 -2.00 0.00 0.00 55.36 52.81 1om4 s GLN 693 Cb 0.16 -3.73 -0.08 0.00 0.80 0.00 0.00 33.01 30.15 1om4 s GLN 693 CO 0.23 -0.39 1.23 -1.21 -0.50 0.00 0.00 175.29 174.66 1om4 s GLU 694 N 1.71 4.00 0.04 1.67 2.02 -0.80 -4.99 118.70 122.34 1om4 s GLU 694 Ca 0.06 1.98 0.02 0.00 0.02 0.00 0.00 54.97 57.05 1om4 s GLU 694 Cb -0.17 -2.70 -0.02 0.00 0.10 0.00 0.00 34.13 31.34 1om4 s GLU 694 CO 0.10 -0.41 -0.07 -1.64 0.02 0.00 0.00 175.26 173.26 1om4 s MET 695 N -2.28 0.50 -0.17 1.61 -1.94 -1.26 -4.67 119.30 111.08 1om4 s MET 695 Ca 0.57 -0.68 -0.03 0.00 -1.71 0.00 0.00 55.69 53.84 1om4 s MET 695 Cb -0.34 -0.27 -0.02 0.00 2.01 0.00 0.00 34.83 36.21 1om4 s MET 695 CO 0.43 0.05 -0.06 -0.51 -0.01 0.00 0.00 175.02 174.92 1om4 s LEU 696 N -1.41 2.99 -0.20 -0.03 1.43 -1.26 -4.90 118.68 115.30 1om4 s LEU 696 Ca -0.09 -0.27 -0.06 0.00 -1.03 0.00 0.00 54.13 52.67 1om4 s LEU 696 Cb -0.09 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 1om4 s LEU 696 CO 0.00 0.10 0.04 0.21 0.23 0.00 0.00 176.35 176.93 1om4 s ASN 697 N 0.77 5.22 0.15 2.29 3.04 -1.22 -1.26 114.94 123.93 1om4 s ASN 697 Ca -0.02 -0.08 -0.17 0.00 0.04 0.00 0.00 52.86 52.63 1om4 s ASN 697 Cb -0.15 -1.90 0.03 0.00 -1.54 0.00 0.00 41.25 37.70 1om4 s ASN 697 CO 0.02 0.10 0.45 -0.72 -3.04 0.00 0.00 177.10 173.91 1om4 s TYR 698 N 0.80 -0.18 -0.25 0.43 -0.85 -1.26 -4.97 117.35 111.07 1om4 s TYR 698 Ca 0.02 -0.14 -0.09 0.00 -0.52 0.00 0.00 57.07 56.35 1om4 s TYR 698 Cb -0.14 0.32 -0.04 0.00 0.38 0.00 0.00 41.96 42.48 1om4 s TYR 698 CO 0.02 -0.79 0.12 1.03 -1.52 0.00 0.00 175.55 174.42 1om4 s ARG 699 N -3.83 3.85 0.06 -3.49 0.52 -1.26 -4.83 118.95 109.97 1om4 s ARG 699 Ca 0.05 -0.38 0.09 0.00 -0.52 0.00 0.00 55.73 54.97 1om4 s ARG 699 Cb 0.01 -3.45 -0.03 0.00 0.52 0.00 0.00 34.95 31.99 1om4 s ARG 699 CO -0.09 -0.10 -0.22 -0.51 0.02 0.00 0.00 175.30 174.41 1om4 s LEU 700 N 1.44 2.43 0.15 2.53 1.43 -1.26 -2.82 118.68 122.56 1om4 s LEU 700 Ca 0.06 -0.54 0.09 0.00 -1.03 0.00 0.00 54.13 52.71 1om4 s LEU 700 Cb -0.15 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 1om4 s LEU 700 CO 0.06 0.24 -0.13 0.28 0.23 0.00 0.00 176.35 177.03 1om4 s THR 701 N -0.92 3.09 0.64 5.49 -1.32 -1.26 -4.25 115.64 117.11 1om4 s THR 701 Ca 0.14 -1.55 -0.17 0.00 -1.21 0.00 0.00 61.69 58.89 1om4 s THR 701 Cb -0.10 -2.48 -0.05 0.00 -1.51 0.00 0.00 72.50 68.36 1om4 s THR 701 CO 0.05 -0.01 0.73 -2.65 -2.21 0.00 0.00 174.62 170.53 1om4 n PRO 702 N 0.39 0.58 -3.80 7.08 -0.02 -1.26 -5.02 135.00 132.95 1om4 n PRO 702 Ca -0.13 0.24 -0.10 0.00 -2.02 0.00 0.00 63.50 61.49 1om4 n PRO 702 Cb 0.54 -1.96 -0.06 0.00 -0.02 0.00 0.00 33.50 32.01 1om4 n PRO 702 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1om4 s SER 703 N -1.34 -0.08 -0.22 2.55 1.04 -0.77 -3.98 113.70 110.89 1om4 s SER 703 Ca 0.71 -0.59 -0.07 0.00 0.48 0.00 0.00 55.95 56.48 1om4 s SER 703 Cb -0.40 0.46 -0.03 0.00 0.10 0.00 0.00 66.02 66.15 1om4 s SER 703 CO 0.52 -0.88 0.07 -0.36 0.98 0.00 0.00 173.24 173.57 1om4 s PHE 704 N -3.88 3.15 0.30 5.02 0.40 -1.26 -0.98 117.98 120.73 1om4 s PHE 704 Ca 0.09 -0.18 0.10 0.00 -0.60 0.00 0.00 56.93 56.34 1om4 s PHE 704 Cb 0.02 -2.17 -0.06 0.00 0.51 0.00 0.00 43.02 41.33 1om4 s PHE 704 CO -0.06 -0.12 -0.14 -1.21 0.70 0.00 0.00 175.22 174.39 1om4 s GLU 705 N 1.05 1.69 0.47 0.44 0.41 0.68 -4.93 118.70 118.51 1om4 s GLU 705 Ca 0.04 -1.82 -0.11 0.00 -0.41 0.00 0.00 54.97 52.67 1om4 s GLU 705 Cb -0.14 -1.62 -0.06 0.00 -1.78 0.00 0.00 34.13 30.53 1om4 s GLU 705 CO 0.03 0.21 0.86 0.71 -0.49 0.00 0.00 175.26 176.58 1om4 s TYR 706 N -2.64 3.50 0.02 1.61 4.12 -1.26 -0.75 117.35 121.95 1om4 s TYR 706 Ca 0.30 1.14 -0.11 0.00 0.02 0.00 0.00 57.07 58.42 1om4 s TYR 706 Cb -0.01 -2.54 0.01 0.00 -1.52 0.00 0.00 41.96 37.90 1om4 s TYR 706 CO 0.14 -0.27 0.23 1.14 0.02 0.00 0.00 175.55 176.81 1om4 s GLN 707 N -4.21 0.67 0.54 -0.62 -2.07 -1.26 -4.77 119.66 107.94 1om4 s GLN 707 Ca 0.53 -0.47 -0.22 0.00 -1.82 0.00 0.00 55.36 53.38 1om4 s GLN 707 Cb -0.10 0.28 -0.05 0.00 -1.09 0.00 0.00 33.01 32.05 1om4 s GLN 707 CO 0.36 -0.19 1.31 -2.30 -1.32 0.00 0.00 175.29 173.15 1om4 n PRO 708 N 0.94 1.62 -1.82 9.60 -0.02 -1.26 -4.93 135.00 139.14 1om4 n PRO 708 Ca -0.20 0.60 -0.40 0.00 -2.02 0.00 0.00 63.50 61.48 1om4 n PRO 708 Cb 0.58 -2.51 0.02 0.00 -0.02 0.00 0.00 33.50 31.56 1om4 n PRO 708 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1om4 s ASP 709 N -0.91 5.86 0.34 2.55 1.01 -1.26 -4.91 116.67 119.35 1om4 s ASP 709 Ca 0.71 2.89 0.05 0.00 0.71 0.00 0.00 52.55 56.91 1om4 s ASP 709 Cb -0.43 -2.65 0.61 0.00 1.01 0.00 0.00 42.92 41.46 1om4 s ASP 709 CO 0.50 -1.18 1.87 1.55 0.21 0.00 0.00 175.17 178.11 1om4 h PRO 710 N 2.28 0.49 0.00 8.23 0.13 -1.91 -2.76 132.00 138.47 1om4 h PRO 710 Ca -0.51 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1om4 h PRO 710 Cb 1.27 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1om4 h PRO 710 CO 0.61 0.55 0.00 -2.67 -0.23 0.00 0.00 178.00 176.25 1om4 n TRP 711 N -4.27 0.00 -0.75 1.56 2.14 -1.26 -0.05 117.44 114.81 1om4 n TRP 711 Ca 0.01 0.00 0.08 0.00 2.07 0.00 0.00 57.50 59.66 1om4 n TRP 711 Cb 0.26 -0.24 0.21 0.00 -0.81 0.00 0.00 31.31 30.73 1om4 n TRP 711 CO 0.00 0.00 0.00 0.09 2.07 0.00 0.00 177.69 179.85 1om4 n ASN 712 N -1.24 3.43 0.00 -0.67 3.02 -1.04 -4.58 115.26 114.18 1om4 n ASN 712 Ca 0.07 -2.72 0.00 0.00 -0.03 0.00 0.00 54.58 51.89 1om4 n ASN 712 Cb 0.09 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 1om4 n ASN 712 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1om4 n THR 713 N -0.33 0.00 -2.30 3.41 -1.04 -0.46 -4.99 114.28 108.57 1om4 n THR 713 Ca 0.17 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.77 1om4 n THR 713 Cb 0.73 0.16 -0.03 0.00 -1.82 0.00 0.00 70.33 69.37 1om4 n THR 713 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 1om4 s HIS 714 N 0.00 3.34 -0.70 -1.42 5.04 0.93 -4.99 115.29 117.48 1om4 s HIS 714 Ca 0.00 1.31 -0.10 0.00 -1.54 0.00 0.00 55.06 54.73 1om4 s HIS 714 Cb 0.00 -3.52 0.18 0.00 0.04 0.00 0.00 32.58 29.29 1om4 s HIS 714 CO 0.00 -1.55 0.60 0.14 -2.34 0.00 0.00 174.74 171.59 1om4 s VAL 715 N 0.10 4.81 -2.00 0.89 -7.23 -1.26 -5.00 120.40 110.71 1om4 s VAL 715 Ca 0.55 -2.49 0.05 0.00 -1.81 0.00 0.00 61.98 58.28 1om4 s VAL 715 Cb -0.34 -4.04 0.14 0.00 0.56 0.00 0.00 36.38 32.70 1om4 s VAL 715 CO 0.37 -0.94 0.77 0.79 -0.31 0.00 0.00 175.10 175.78