#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1om5 s PHE 300 N 0.00 -0.59 -0.06 -0.14 0.40 -1.26 -4.84 117.98 111.49 1om5 s PHE 300 Ca 0.00 1.38 0.03 0.00 -0.60 0.00 0.00 56.93 57.74 1om5 s PHE 300 Cb 0.00 0.22 0.01 0.00 0.51 0.00 0.00 43.02 43.76 1om5 s PHE 300 CO 0.00 -0.34 -0.15 -0.51 0.70 0.00 0.00 175.22 174.93 1om5 s LEU 301 N 0.03 1.78 0.06 -0.37 1.43 -1.05 -4.95 118.68 115.61 1om5 s LEU 301 Ca -0.02 -0.33 -0.08 0.00 -1.03 0.00 0.00 54.13 52.67 1om5 s LEU 301 Cb -0.04 -0.91 -0.05 0.00 0.03 0.00 0.00 46.19 45.22 1om5 s LEU 301 CO 0.02 0.08 0.35 -0.54 0.23 0.00 0.00 176.35 176.49 1om5 s LYS 302 N 0.42 3.67 -0.05 1.70 -0.14 -1.26 -0.61 119.74 123.48 1om5 s LYS 302 Ca -0.11 0.04 0.01 0.00 -1.36 0.00 0.00 55.97 54.55 1om5 s LYS 302 Cb -0.14 -3.01 0.02 0.00 -1.68 0.00 0.00 37.83 33.02 1om5 s LYS 302 CO 0.04 0.58 -0.04 0.08 -0.76 0.00 0.00 175.35 175.25 1om5 s VAL 303 N -1.40 0.53 0.06 3.17 1.01 -0.17 -4.97 120.40 118.63 1om5 s VAL 303 Ca 0.32 -0.09 0.08 0.00 0.00 0.00 0.00 61.98 62.28 1om5 s VAL 303 Cb -0.13 -0.57 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 1om5 s VAL 303 CO 0.18 0.23 -0.18 -0.75 0.00 0.00 0.00 175.10 174.59 1om5 s LYS 304 N 1.08 1.98 -0.32 2.72 2.20 -1.26 -0.55 119.74 125.59 1om5 s LYS 304 Ca -0.08 -1.04 -0.09 0.00 -0.36 0.00 0.00 55.97 54.39 1om5 s LYS 304 Cb -0.14 -2.16 0.00 0.00 -1.51 0.00 0.00 37.83 34.02 1om5 s LYS 304 CO -0.01 0.52 0.14 1.21 -0.36 0.00 0.00 175.35 176.86 1om5 s ASN 305 N -1.65 5.49 0.00 1.43 3.84 -0.75 -2.29 114.94 121.01 1om5 s ASN 305 Ca 0.16 -0.63 0.00 0.00 0.21 0.00 0.00 52.86 52.60 1om5 s ASN 305 Cb -0.11 -1.98 0.00 0.00 -0.55 0.00 0.00 41.25 38.61 1om5 s ASN 305 CO 0.07 -0.22 1.06 0.79 -2.79 0.00 0.00 177.10 176.01 1om5 n TRP 306 N 4.96 0.00 0.00 0.43 7.02 -0.24 -0.86 117.44 128.75 1om5 n TRP 306 Ca -0.14 -0.53 0.00 0.00 -1.02 0.00 0.00 57.50 55.81 1om5 n TRP 306 Cb 0.48 -0.27 0.00 0.00 -2.42 0.00 0.00 31.31 29.10 1om5 n TRP 306 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1om5 n GLU 307 N 0.64 1.96 0.00 -0.99 2.13 -1.26 -4.81 120.64 118.30 1om5 n GLU 307 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1om5 n GLU 307 Cb 0.48 -0.19 0.00 0.00 0.27 0.00 0.00 31.44 32.00 1om5 n GLU 307 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1om5 n THR 308 N -0.16 0.00 -0.98 6.31 -2.24 -1.15 -5.00 114.28 111.06 1om5 n THR 308 Ca 0.00 -0.05 -0.03 0.00 -2.27 0.00 0.00 64.05 61.69 1om5 n THR 308 Cb 0.00 1.76 -0.01 0.00 -2.10 0.00 0.00 70.33 69.97 1om5 n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1om5 n ASP 309 N -0.02 -5.07 -4.67 3.42 8.00 -0.04 -4.90 116.55 113.27 1om5 n ASP 309 Ca 0.00 0.08 -0.43 0.00 0.71 0.00 0.00 54.79 55.15 1om5 n ASP 309 Cb 0.19 -3.28 -0.02 0.00 -0.02 0.00 0.00 41.12 37.98 1om5 n ASP 309 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1om5 s VAL 310 N -1.15 4.13 0.09 2.53 1.01 -1.24 -4.78 120.40 120.99 1om5 s VAL 310 Ca 0.00 1.40 0.05 0.00 0.00 0.00 0.00 61.98 63.43 1om5 s VAL 310 Cb 0.00 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 1om5 s VAL 310 CO 0.00 -0.09 0.01 -0.69 0.00 0.00 0.00 175.10 174.33 1om5 s VAL 311 N 3.22 4.06 0.04 2.92 1.01 -1.26 -1.80 120.40 128.60 1om5 s VAL 311 Ca 0.58 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.62 1om5 s VAL 311 Cb -0.25 -2.93 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 1om5 s VAL 311 CO 0.19 0.13 -0.07 -0.76 0.00 0.00 0.00 175.10 174.59 1om5 s LEU 312 N -2.29 2.27 -0.15 3.92 1.43 0.28 -4.96 118.68 119.18 1om5 s LEU 312 Ca 0.26 -0.57 -0.04 0.00 -1.03 0.00 0.00 54.13 52.75 1om5 s LEU 312 Cb -0.12 -0.12 -0.03 0.00 0.03 0.00 0.00 46.19 45.96 1om5 s LEU 312 CO 0.18 -0.24 -0.03 -0.89 0.23 0.00 0.00 176.35 175.61 1om5 s THR 313 N -1.55 3.98 -0.24 5.49 2.01 -1.26 -1.00 115.64 123.06 1om5 s THR 313 Ca -0.09 -0.33 -0.06 0.00 0.31 0.00 0.00 61.69 61.51 1om5 s THR 313 Cb -0.09 -2.74 -0.02 0.00 0.01 0.00 0.00 72.50 69.66 1om5 s THR 313 CO -0.00 0.50 0.04 -0.62 -0.69 0.00 0.00 174.62 173.84 1om5 s ASP 314 N 0.30 4.90 -0.05 3.53 -1.08 0.22 -4.58 116.67 119.90 1om5 s ASP 314 Ca -0.03 -0.26 0.08 0.00 -0.52 0.00 0.00 52.55 51.82 1om5 s ASP 314 Cb -0.14 -1.87 -0.11 0.00 -1.46 0.00 0.00 42.92 39.34 1om5 s ASP 314 CO 0.03 -0.03 0.09 0.35 0.52 0.00 0.00 175.17 176.13 1om5 n THR 315 N 4.87 0.32 -0.28 1.71 -2.24 0.20 -2.52 114.28 116.35 1om5 n THR 315 Ca -0.17 -0.28 0.20 0.00 -2.27 0.00 0.00 64.05 61.54 1om5 n THR 315 Cb 0.51 -0.34 0.50 0.00 -2.10 0.00 0.00 70.33 68.90 1om5 n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1om5 h LEU 316 N 0.00 0.44 -0.52 3.22 6.46 -0.08 -0.65 115.31 124.18 1om5 h LEU 316 Ca -0.13 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.69 1om5 h LEU 316 Cb 1.04 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.95 1om5 h LEU 316 CO 0.01 0.15 0.06 0.00 -0.62 0.00 0.00 178.44 178.03 1om5 n HIS 317 N -4.55 0.26 0.11 1.25 1.44 -1.26 -1.01 115.22 111.46 1om5 n HIS 317 Ca 0.21 0.14 -0.02 0.00 -2.01 0.00 0.00 57.72 56.04 1om5 n HIS 317 Cb 0.75 -0.67 0.21 0.00 0.12 0.00 0.00 29.99 30.40 1om5 n HIS 317 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1om5 h LEU 318 N 0.00 0.19 -0.24 2.39 3.38 -1.46 -2.86 115.31 116.71 1om5 h LEU 318 Ca 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1om5 h LEU 318 Cb 0.11 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1om5 h LEU 318 CO 0.00 0.65 0.00 0.11 0.09 0.00 0.00 178.44 179.29 1om5 h LYS 319 N 0.14 0.00 -6.49 1.13 1.57 -1.28 -3.45 116.57 108.19 1om5 h LYS 319 Ca 0.01 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.26 1om5 h LYS 319 Cb 0.91 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.25 1om5 h LYS 319 CO 0.07 0.00 1.04 -1.54 -0.57 0.00 0.00 179.45 178.45 1om5 s SER 320 N -5.41 6.51 -0.14 0.86 1.04 -1.08 -4.90 113.70 110.59 1om5 s SER 320 Ca 0.07 2.63 -0.10 0.00 0.48 0.00 0.00 55.95 59.03 1om5 s SER 320 Cb 0.08 -2.57 -0.06 0.00 0.10 0.00 0.00 66.02 63.58 1om5 s SER 320 CO 0.61 -0.94 -0.23 0.41 0.98 0.00 0.00 173.24 174.07 1om5 n THR 321 N 4.66 1.15 -0.76 2.02 -1.04 -1.24 -4.98 114.28 114.10 1om5 n THR 321 Ca 0.17 -0.04 -0.33 0.00 -2.04 0.00 0.00 64.05 61.80 1om5 n THR 321 Cb 0.39 -1.88 0.14 0.00 -1.82 0.00 0.00 70.33 67.16 1om5 n THR 321 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1om5 n LEU 322 N -3.92 -1.35 -4.89 -4.42 4.77 -1.26 -5.00 117.00 100.93 1om5 n LEU 322 Ca -0.24 0.14 -0.30 0.00 -0.03 0.00 0.00 56.01 55.58 1om5 n LEU 322 Cb 0.57 -1.08 0.06 0.00 -2.33 0.00 0.00 43.42 40.65 1om5 n LEU 322 CO 0.07 -3.50 0.75 -1.61 -1.33 0.00 0.00 177.39 171.76 1om5 s GLU 323 N -3.46 2.61 0.00 3.23 2.02 -1.26 -4.67 118.70 117.17 1om5 s GLU 323 Ca 0.55 0.33 0.00 0.00 0.02 0.00 0.00 54.97 55.87 1om5 s GLU 323 Cb -0.17 -2.02 0.00 0.00 0.10 0.00 0.00 34.13 32.05 1om5 s GLU 323 CO 0.68 -1.18 0.00 0.25 0.02 0.00 0.00 175.26 175.03 1om5 n THR 324 N -3.07 0.00 -0.03 3.63 -2.24 -1.26 -4.77 114.28 106.54 1om5 n THR 324 Ca 0.07 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1om5 n THR 324 Cb 0.58 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 1om5 n THR 324 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1om5 n GLY 325 N 1.44 0.34 3.77 3.38 0.00 -1.26 -4.94 105.19 107.93 1om5 n GLY 325 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1om5 n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1om5 n THR 327 N 2.02 0.00 0.88 0.00 -2.24 -0.22 -4.98 114.28 109.73 1om5 n THR 327 Ca -0.19 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.72 1om5 n THR 327 Cb 0.54 -0.86 0.31 0.00 -2.10 0.00 0.00 70.33 68.23 1om5 n THR 327 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1om5 n GLU 328 N -0.85 0.08 -0.00 -0.78 1.02 -1.26 -3.88 120.64 114.97 1om5 n GLU 328 Ca 0.00 0.03 0.06 0.00 -0.02 0.00 0.00 57.16 57.23 1om5 n GLU 328 Cb 0.00 -1.56 -0.08 0.00 -0.02 0.00 0.00 31.44 29.78 1om5 n GLU 328 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1om5 n HIS 329 N -1.69 0.00 -3.82 -0.32 8.25 -1.26 -5.01 115.22 111.37 1om5 n HIS 329 Ca 0.05 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.39 1om5 n HIS 329 Cb 0.37 -0.18 -0.13 0.00 1.12 0.00 0.00 29.99 31.17 1om5 n HIS 329 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1om5 s ILE 330 N -2.56 -0.01 -0.20 1.59 2.07 -1.25 -5.14 121.20 115.70 1om5 s ILE 330 Ca -0.01 0.03 -0.04 0.00 -1.41 0.00 0.00 60.65 59.22 1om5 s ILE 330 Cb 0.08 -0.16 -0.01 0.00 0.13 0.00 0.00 42.46 42.49 1om5 s ILE 330 CO 0.48 0.01 -0.04 0.00 -1.91 0.00 0.00 174.94 173.48 1om5 n MET 332 N 4.42 2.30 -0.06 0.00 0.00 -1.26 -4.77 117.12 117.74 1om5 n MET 332 Ca -0.18 -3.03 0.25 0.00 0.00 0.00 0.00 57.70 54.74 1om5 n MET 332 Cb 0.51 -1.85 0.67 0.00 0.00 0.00 0.00 33.22 32.55 1om5 n MET 332 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1om5 h GLY 333 N 1.31 0.00 -2.80 3.03 0.00 -1.93 0.68 103.07 103.37 1om5 h GLY 333 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1om5 h GLY 333 CO 0.37 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.77 1om5 n SER 334 N -3.65 4.49 -4.79 0.19 3.41 -1.26 -4.87 113.62 107.13 1om5 n SER 334 Ca 0.14 -2.39 -0.39 0.00 -0.26 0.00 0.00 58.87 55.97 1om5 n SER 334 Cb 0.96 -0.54 -0.06 0.00 -0.26 0.00 0.00 64.21 64.32 1om5 n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1om5 s ILE 335 N -1.74 4.69 -0.01 -1.33 -1.09 0.23 -5.02 121.20 116.94 1om5 s ILE 335 Ca 0.48 1.34 -0.24 0.00 -2.23 0.00 0.00 60.65 60.01 1om5 s ILE 335 Cb 0.31 -3.96 -0.16 0.00 -1.58 0.00 0.00 42.46 37.06 1om5 s ILE 335 CO 0.24 0.52 1.12 -0.03 -1.23 0.00 0.00 174.94 175.56 1om5 h MET 336 N 4.73 -0.33 -2.15 2.79 4.05 -1.92 -3.40 114.93 118.70 1om5 h MET 336 Ca -0.48 0.02 -0.57 0.00 -0.28 0.00 0.00 59.70 58.39 1om5 h MET 336 Cb 1.21 0.08 -0.41 0.00 -0.80 0.00 0.00 31.60 31.67 1om5 h MET 336 CO 0.65 0.02 -0.80 1.28 0.23 0.00 0.00 176.91 178.29 1om5 n LEU 337 N -5.06 2.81 0.00 3.39 4.77 -1.26 -5.16 117.00 116.49 1om5 n LEU 337 Ca -0.09 -5.30 0.00 0.00 -0.03 0.00 0.00 56.01 50.60 1om5 n LEU 337 Cb 0.26 -0.17 0.01 0.00 -2.33 0.00 0.00 43.42 41.20 1om5 n LEU 337 CO 0.29 2.18 0.22 -2.65 -1.33 0.00 0.00 177.39 176.10 1om5 n PRO 338 N 0.56 0.02 -2.95 3.23 -0.02 -1.26 -5.21 135.00 129.37 1om5 n PRO 338 Ca 0.28 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.64 1om5 n PRO 338 Cb 0.47 -1.41 0.05 0.00 -0.02 0.00 0.00 33.50 32.59 1om5 n PRO 338 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1om5 n VAL 348 N -0.91 -3.17 -3.89 -1.45 3.14 -1.26 -5.04 118.33 105.74 1om5 n VAL 348 Ca 0.00 -0.22 -0.36 0.00 -2.96 0.00 0.00 64.34 60.80 1om5 n VAL 348 Cb 0.00 -3.76 -0.08 0.00 -1.06 0.00 0.00 33.84 28.95 1om5 n VAL 348 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1om5 s ARG 349 N -5.09 3.75 0.63 1.45 0.52 -1.26 -5.09 118.95 113.86 1om5 s ARG 349 Ca 0.10 -0.22 -0.13 0.00 -0.52 0.00 0.00 55.73 54.96 1om5 s ARG 349 Cb -0.04 -3.24 -0.02 0.00 0.52 0.00 0.00 34.95 32.16 1om5 s ARG 349 CO 0.45 0.52 1.05 0.99 0.02 0.00 0.00 175.30 178.32 1om5 s THR 350 N -0.30 4.13 0.28 0.02 2.01 -1.26 -4.88 115.64 115.64 1om5 s THR 350 Ca 0.10 0.82 0.01 0.00 0.31 0.00 0.00 61.69 62.94 1om5 s THR 350 Cb -0.12 -3.50 0.28 0.00 0.01 0.00 0.00 72.50 69.17 1om5 s THR 350 CO 0.01 -0.78 1.83 0.07 -0.69 0.00 0.00 174.62 175.06 1om5 h LYS 351 N -0.11 0.92 -0.43 4.92 2.10 -1.97 -1.76 116.57 120.25 1om5 h LYS 351 Ca -0.45 -0.06 -0.05 0.00 -2.00 0.00 0.00 60.65 58.10 1om5 h LYS 351 Cb 1.21 -0.21 -0.02 0.00 -0.90 0.00 0.00 32.23 32.31 1om5 h LYS 351 CO 0.58 0.61 0.06 0.38 -2.00 0.00 0.00 179.45 179.09 1om5 h ASP 352 N 0.95 0.61 -0.07 7.07 2.03 -1.96 -2.90 116.42 122.15 1om5 h ASP 352 Ca 0.50 -0.11 -0.25 0.00 -0.73 0.00 0.00 57.03 56.44 1om5 h ASP 352 Cb 0.52 -0.16 0.02 0.00 -0.83 0.00 0.00 39.33 38.88 1om5 h ASP 352 CO -0.28 0.64 -0.93 1.56 -1.03 0.00 0.00 179.24 179.20 1om5 h GLN 353 N 0.63 0.75 -0.07 4.15 4.20 -1.72 -3.40 115.11 119.65 1om5 h GLN 353 Ca 0.14 -0.71 0.02 0.00 0.06 0.00 0.00 58.65 58.15 1om5 h GLN 353 Cb 0.30 0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 1om5 h GLN 353 CO 0.00 1.30 -0.04 1.25 -0.67 0.00 0.00 178.83 180.68 1om5 h LEU 354 N 0.46 -0.12 0.21 1.46 5.85 -1.16 -3.34 115.31 118.67 1om5 h LEU 354 Ca -0.10 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1om5 h LEU 354 Cb 1.57 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.65 1om5 h LEU 354 CO 0.19 -0.05 -0.21 0.15 -0.34 0.00 0.00 178.44 178.17 1om5 h PHE 355 N -0.04 -0.57 -0.83 1.25 3.57 -1.76 -0.94 116.94 117.62 1om5 h PHE 355 Ca 0.04 0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.73 1om5 h PHE 355 Cb 0.10 0.22 -0.11 0.00 2.79 0.00 0.00 35.95 38.95 1om5 h PHE 355 CO -0.14 -0.32 0.32 -1.00 -2.23 0.00 0.00 178.31 174.94 1om5 h PRO 356 N -0.46 0.38 -0.43 6.41 0.13 -1.82 0.82 132.00 137.04 1om5 h PRO 356 Ca 0.00 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.10 1om5 h PRO 356 Cb 0.43 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.46 1om5 h PRO 356 CO -0.06 0.25 0.24 -0.07 -0.23 0.00 0.00 178.00 178.14 1om5 h LEU 357 N 0.39 0.53 -0.90 1.56 3.38 -1.60 -0.59 115.31 118.08 1om5 h LEU 357 Ca 0.49 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.34 1om5 h LEU 357 Cb 0.86 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 1om5 h LEU 357 CO -0.49 0.46 0.36 0.00 0.09 0.00 0.00 178.44 178.86 1om5 h ALA 358 N 1.10 1.13 0.71 1.53 0.00 0.73 -2.34 119.26 122.12 1om5 h ALA 358 Ca 0.15 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1om5 h ALA 358 Cb 0.04 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.52 1om5 h ALA 358 CO -0.03 0.64 -0.34 -0.22 0.00 0.00 0.00 179.25 179.31 1om5 h LYS 359 N 1.14 -0.92 -0.95 0.00 3.64 0.13 -0.28 116.57 119.34 1om5 h LYS 359 Ca 0.27 0.06 0.07 0.00 -1.27 0.00 0.00 60.65 59.79 1om5 h LYS 359 Cb 0.15 0.21 -0.07 0.00 -0.41 0.00 0.00 32.23 32.11 1om5 h LYS 359 CO -0.03 -0.60 0.60 1.05 -2.27 0.00 0.00 179.45 178.20 1om5 h GLU 360 N -0.99 1.03 0.52 1.90 4.11 -1.12 0.26 114.58 120.29 1om5 h GLU 360 Ca -0.10 -0.06 -0.03 0.00 0.07 0.00 0.00 59.36 59.25 1om5 h GLU 360 Cb 0.74 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1om5 h GLU 360 CO 0.16 0.68 -0.25 0.35 0.07 0.00 0.00 179.01 180.02 1om5 h PHE 361 N 1.06 -0.65 0.00 2.06 3.57 -1.26 0.01 116.94 121.73 1om5 h PHE 361 Ca 0.42 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.89 1om5 h PHE 361 Cb 0.23 0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 1om5 h PHE 361 CO -0.02 -0.41 -0.09 -0.07 -2.23 0.00 0.00 178.31 175.50 1om5 h LEU 362 N -0.70 0.00 -0.23 0.59 3.38 -0.50 0.21 115.31 118.06 1om5 h LEU 362 Ca -0.07 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.71 1om5 h LEU 362 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1om5 h LEU 362 CO 0.12 0.09 -0.60 0.44 0.09 0.00 0.00 178.44 178.58 1om5 h ASP 363 N 0.00 0.92 0.15 -0.43 5.19 -0.04 -1.89 116.42 120.31 1om5 h ASP 363 Ca -0.00 -0.57 -0.01 0.00 -0.62 0.00 0.00 57.03 55.83 1om5 h ASP 363 Cb 0.27 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1om5 h ASP 363 CO 0.01 1.33 -0.07 1.56 -3.12 0.00 0.00 179.24 178.95 1om5 h GLN 364 N 0.55 -0.19 -0.46 3.56 4.20 0.01 -0.89 115.11 121.90 1om5 h GLN 364 Ca -0.01 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.77 1om5 h GLN 364 Cb 1.22 0.04 -0.09 0.00 0.30 0.00 0.00 27.48 28.95 1om5 h GLN 364 CO 0.13 0.21 -0.52 -0.92 -0.67 0.00 0.00 178.83 177.06 1om5 h TYR 365 N -0.66 -1.58 -0.26 2.96 3.20 -0.67 0.22 116.97 120.19 1om5 h TYR 365 Ca -0.02 0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1om5 h TYR 365 Cb 0.49 0.75 -0.01 0.00 1.54 0.00 0.00 36.73 39.50 1om5 h TYR 365 CO 0.06 -0.47 0.17 1.88 -1.64 0.00 0.00 178.16 178.16 1om5 h TYR 366 N -0.35 0.32 -0.50 -3.82 -1.99 -1.36 -1.44 116.97 107.83 1om5 h TYR 366 Ca 0.10 0.01 -0.11 0.00 2.00 0.00 0.00 58.73 60.73 1om5 h TYR 366 Cb 0.58 -0.11 -0.02 0.00 2.00 0.00 0.00 36.73 39.19 1om5 h TYR 366 CO -0.72 0.20 -0.10 1.03 -0.00 0.00 0.00 178.16 178.57 1om5 h SER 367 N 0.34 0.96 -0.38 3.88 0.87 0.74 0.14 113.55 120.10 1om5 h SER 367 Ca 0.09 -0.35 -0.02 0.00 -1.23 0.00 0.00 61.79 60.28 1om5 h SER 367 Cb -0.03 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.64 1om5 h SER 367 CO -0.02 1.08 0.18 0.77 -0.53 0.00 0.00 176.83 178.31 1om5 h SER 368 N 0.81 0.55 -0.41 6.23 4.64 0.37 -0.33 113.55 125.42 1om5 h SER 368 Ca 0.13 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1om5 h SER 368 Cb 0.65 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1om5 h SER 368 CO 0.05 0.50 0.00 2.30 -0.87 0.00 0.00 176.83 178.81 1om5 n ILE 369 N -4.37 0.87 -3.68 0.95 -5.35 -0.97 -4.94 119.36 101.88 1om5 n ILE 369 Ca 0.03 -0.65 -0.26 0.00 -0.27 0.00 0.00 62.75 61.61 1om5 n ILE 369 Cb 0.14 0.10 0.03 0.00 -1.74 0.00 0.00 39.64 38.18 1om5 n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1om5 n LYS 370 N 0.65 -2.77 -1.97 6.28 5.02 -0.13 -4.90 118.16 120.33 1om5 n LYS 370 Ca 0.15 0.55 0.01 0.00 -2.02 0.00 0.00 58.31 56.99 1om5 n LYS 370 Cb 0.49 -4.70 0.03 0.00 -0.02 0.00 0.00 35.03 30.83 1om5 n LYS 370 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1om5 n ARG 371 N -4.13 0.68 -2.18 1.97 5.12 0.44 -5.03 116.66 113.53 1om5 n ARG 371 Ca -0.19 -2.28 -0.41 0.00 -1.93 0.00 0.00 57.85 53.04 1om5 n ARG 371 Cb 0.64 -0.41 -0.03 0.00 -1.16 0.00 0.00 32.46 31.50 1om5 n ARG 371 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1om5 s PHE 372 N -1.20 3.19 0.00 -1.55 5.36 -1.18 -2.59 117.98 120.00 1om5 s PHE 372 Ca 0.25 1.27 0.00 0.00 -0.96 0.00 0.00 56.93 57.49 1om5 s PHE 372 Cb 0.32 -3.63 0.00 0.00 -0.34 0.00 0.00 43.02 39.37 1om5 s PHE 372 CO -0.10 -1.91 0.00 0.41 -1.46 0.00 0.00 175.22 172.16 1om5 n GLY 373 N 1.88 2.14 0.87 13.12 0.00 -1.26 -4.99 105.19 116.95 1om5 n GLY 373 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 1om5 n GLY 373 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1om5 n SER 374 N 0.00 -2.22 0.09 1.61 3.41 -1.07 -4.69 113.62 110.76 1om5 n SER 374 Ca 0.00 -0.20 -0.23 0.00 -0.26 0.00 0.00 58.87 58.19 1om5 n SER 374 Cb 0.00 -0.25 -0.15 0.00 -0.26 0.00 0.00 64.21 63.55 1om5 n SER 374 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1om5 h LYS 375 N 0.00 0.41 -0.32 4.33 3.64 -1.94 -2.68 116.57 120.01 1om5 h LYS 375 Ca -0.09 -0.70 -0.03 0.00 -1.27 0.00 0.00 60.65 58.55 1om5 h LYS 375 Cb 0.30 0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 1om5 h LYS 375 CO 0.05 1.32 0.05 0.00 -2.27 0.00 0.00 179.45 178.61 1om5 h ALA 376 N 0.18 1.49 0.14 5.00 0.00 -1.92 -0.99 119.26 123.16 1om5 h ALA 376 Ca -0.31 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1om5 h ALA 376 Cb 2.11 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.76 1om5 h ALA 376 CO 0.20 0.37 -0.07 1.25 0.00 0.00 0.00 179.25 181.01 1om5 h HIS 377 N 0.46 -0.18 -0.30 0.00 -0.00 -1.78 -2.55 115.15 110.81 1om5 h HIS 377 Ca 0.11 -0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 60.40 1om5 h HIS 377 Cb 0.23 0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 27.69 1om5 h HIS 377 CO 0.01 0.15 -0.08 0.52 -0.00 0.00 0.00 177.93 178.53 1om5 h MET 378 N -0.52 0.58 -0.42 5.26 2.07 -1.29 -2.50 114.93 118.11 1om5 h MET 378 Ca -0.02 -0.23 0.02 0.00 -2.07 0.00 0.00 59.70 57.40 1om5 h MET 378 Cb 0.41 -0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 30.09 1om5 h MET 378 CO 0.03 0.78 0.28 -0.44 1.07 0.00 0.00 176.91 178.64 1om5 h ASP 379 N 0.35 0.43 -0.39 1.22 3.32 -1.27 -0.02 116.42 120.05 1om5 h ASP 379 Ca 0.07 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.01 1om5 h ASP 379 Cb 0.58 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1om5 h ASP 379 CO 0.03 0.30 -0.18 -0.09 -1.72 0.00 0.00 179.24 177.58 1om5 h ARG 380 N 0.50 0.81 -0.67 3.56 9.65 -1.29 0.26 114.38 127.20 1om5 h ARG 380 Ca 0.17 -0.35 -0.05 0.00 -1.10 0.00 0.00 59.98 58.64 1om5 h ARG 380 Cb 0.05 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.57 1om5 h ARG 380 CO -0.04 0.98 0.23 -0.07 2.80 0.00 0.00 179.97 183.87 1om5 h LEU 381 N 0.62 0.94 -0.19 3.80 3.38 -0.83 0.14 115.31 123.18 1om5 h LEU 381 Ca 0.09 -0.16 -0.19 0.00 0.09 0.00 0.00 57.88 57.71 1om5 h LEU 381 Cb 0.73 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 41.24 1om5 h LEU 381 CO 0.06 0.87 -0.63 -0.08 0.09 0.00 0.00 178.44 178.75 1om5 h GLU 382 N 0.99 0.75 -0.13 1.13 4.57 -0.88 -0.68 114.58 120.33 1om5 h GLU 382 Ca 0.22 -0.56 0.00 0.00 -1.18 0.00 0.00 59.36 57.84 1om5 h GLU 382 Cb 0.25 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1om5 h GLU 382 CO -0.01 1.18 0.08 1.49 -1.18 0.00 0.00 179.01 180.57 1om5 h GLU 383 N 0.48 0.17 0.49 1.92 4.81 -0.16 -1.66 114.58 120.63 1om5 h GLU 383 Ca -0.03 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1om5 h GLU 383 Cb 1.25 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1om5 h GLU 383 CO 0.13 0.11 -0.24 0.28 -0.73 0.00 0.00 179.01 178.57 1om5 h VAL 384 N 0.17 0.47 -0.82 0.32 2.07 -0.71 -1.57 116.25 116.18 1om5 h VAL 384 Ca 0.05 -0.28 0.20 0.00 0.82 0.00 0.00 66.70 67.48 1om5 h VAL 384 Cb -0.02 0.59 -0.12 0.00 -1.52 0.00 0.00 31.29 30.22 1om5 h VAL 384 CO -0.01 0.05 0.24 -1.13 0.02 0.00 0.00 177.57 176.73 1om5 h ASN 385 N -0.84 0.08 0.09 0.57 -1.24 -1.08 0.11 115.58 113.27 1om5 h ASN 385 Ca -0.07 0.16 -0.00 0.00 0.71 0.00 0.00 56.30 57.10 1om5 h ASN 385 Cb 0.58 0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.84 1om5 h ASN 385 CO 0.11 -0.06 -0.04 0.11 -1.29 0.00 0.00 177.43 176.25 1om5 h LYS 386 N 0.28 -0.12 -0.98 6.67 1.57 -1.20 -2.02 116.57 120.77 1om5 h LYS 386 Ca 0.49 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 59.37 1om5 h LYS 386 Cb 0.90 0.03 -0.08 0.00 0.08 0.00 0.00 32.23 33.16 1om5 h LYS 386 CO -0.56 0.16 0.62 1.49 -0.57 0.00 0.00 179.45 180.59 1om5 h GLU 387 N -0.41 1.01 -0.13 3.15 4.81 -0.35 -1.55 114.58 121.12 1om5 h GLU 387 Ca -0.01 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1om5 h GLU 387 Cb 0.34 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1om5 h GLU 387 CO 0.02 0.67 0.04 0.82 -0.73 0.00 0.00 179.01 179.83 1om5 h ILE 388 N 1.04 1.18 -0.98 2.32 2.04 -0.73 0.26 117.51 122.65 1om5 h ILE 388 Ca 0.46 -0.56 0.08 0.00 1.00 0.00 0.00 64.86 65.84 1om5 h ILE 388 Cb 0.36 1.30 -0.07 0.00 -0.74 0.00 0.00 36.82 37.67 1om5 h ILE 388 CO -0.23 0.17 0.63 -0.08 0.00 0.00 0.00 178.15 178.64 1om5 h GLU 389 N 0.03 1.07 0.13 2.37 4.81 -0.54 1.44 114.58 123.89 1om5 h GLU 389 Ca 0.04 -0.06 -0.35 0.00 -0.13 0.00 0.00 59.36 58.86 1om5 h GLU 389 Cb 0.22 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1om5 h GLU 389 CO -0.00 0.71 -1.88 0.66 -0.73 0.00 0.00 179.01 177.77 1om5 h SER 390 N 1.10 0.43 -0.01 1.04 4.64 -1.26 -3.39 113.55 116.11 1om5 h SER 390 Ca 0.43 -0.84 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1om5 h SER 390 Cb 0.24 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1om5 h SER 390 CO -0.18 1.74 -0.44 0.35 -0.87 0.00 0.00 176.83 177.43 1om5 n THR 391 N -3.47 0.00 0.00 2.95 -2.24 0.90 -4.99 114.28 107.43 1om5 n THR 391 Ca -0.28 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 1om5 n THR 391 Cb 1.06 1.18 0.00 0.00 -2.10 0.00 0.00 70.33 70.47 1om5 n THR 391 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1om5 n SER 392 N -0.27 0.00 0.00 3.42 7.64 0.49 -4.85 113.62 120.05 1om5 n SER 392 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1om5 n SER 392 Cb 0.37 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 1om5 n SER 392 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1om5 n THR 393 N 0.00 0.00 -3.64 0.44 5.66 -1.26 -4.75 114.28 110.73 1om5 n THR 393 Ca 0.00 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.97 1om5 n THR 393 Cb 0.00 -0.11 -0.06 0.00 -1.55 0.00 0.00 70.33 68.61 1om5 n THR 393 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1om5 s TYR 394 N 2.36 -0.06 0.01 1.09 -0.85 -1.26 -3.01 117.35 115.62 1om5 s TYR 394 Ca 0.00 0.13 -0.11 0.00 -0.52 0.00 0.00 57.07 56.57 1om5 s TYR 394 Cb 0.00 0.49 -0.05 0.00 0.38 0.00 0.00 41.96 42.77 1om5 s TYR 394 CO 0.00 -0.04 0.35 -0.65 -1.52 0.00 0.00 175.55 173.69 1om5 s GLN 395 N -0.36 3.75 0.28 -3.49 -1.52 -1.26 -5.02 119.66 112.04 1om5 s GLN 395 Ca 0.08 0.20 -0.11 0.00 -1.95 0.00 0.00 55.36 53.58 1om5 s GLN 395 Cb -0.03 -3.13 -0.07 0.00 -0.22 0.00 0.00 33.01 29.55 1om5 s GLN 395 CO -0.12 0.66 0.62 -0.51 -0.25 0.00 0.00 175.29 175.69 1om5 s LEU 396 N -1.41 4.09 0.70 2.90 1.43 -1.26 -5.07 118.68 120.06 1om5 s LEU 396 Ca 0.26 1.02 -0.11 0.00 -1.03 0.00 0.00 54.13 54.27 1om5 s LEU 396 Cb -0.15 -3.81 0.01 0.00 0.03 0.00 0.00 46.19 42.27 1om5 s LEU 396 CO 0.14 -0.16 1.07 -0.54 0.23 0.00 0.00 176.35 177.09 1om5 s LYS 397 N -3.04 2.92 0.19 1.70 1.02 -1.26 -4.81 119.74 116.45 1om5 s LYS 397 Ca 0.49 0.75 -0.12 0.00 0.02 0.00 0.00 55.97 57.11 1om5 s LYS 397 Cb -0.11 -2.00 0.17 0.00 -0.52 0.00 0.00 37.83 35.37 1om5 s LYS 397 CO 0.22 -1.06 1.77 -0.44 -0.92 0.00 0.00 175.35 174.93 1om5 h ASP 398 N -0.68 0.33 -0.09 2.83 5.19 -1.99 0.11 116.42 122.12 1om5 h ASP 398 Ca -0.45 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 55.99 1om5 h ASP 398 Cb 1.22 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.71 1om5 h ASP 398 CO 0.60 0.22 0.03 0.71 -3.12 0.00 0.00 179.24 177.68 1om5 h THR 399 N 0.47 1.08 0.05 0.35 1.35 -1.99 -0.05 112.91 114.17 1om5 h THR 399 Ca 0.24 -0.28 -0.27 0.00 -0.55 0.00 0.00 66.41 65.56 1om5 h THR 399 Cb 0.19 0.94 0.02 0.00 -1.73 0.00 0.00 68.15 67.58 1om5 h THR 399 CO -0.20 0.10 -1.07 -0.33 -0.25 0.00 0.00 175.52 173.77 1om5 h GLU 400 N 0.20 0.64 0.05 4.72 5.08 -1.63 -1.71 114.58 121.93 1om5 h GLU 400 Ca 0.05 -0.75 -0.00 0.00 -1.00 0.00 0.00 59.36 57.66 1om5 h GLU 400 Cb 0.09 0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1om5 h GLU 400 CO -0.00 1.33 -0.02 1.25 -1.00 0.00 0.00 179.01 180.56 1om5 h LEU 401 N 0.29 -0.05 -0.84 1.33 5.85 -0.47 0.99 115.31 122.40 1om5 h LEU 401 Ca -0.15 -0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.57 1om5 h LEU 401 Cb 1.74 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 42.71 1om5 h LEU 401 CO 0.21 0.05 0.50 0.40 -0.34 0.00 0.00 178.44 179.26 1om5 h ILE 402 N -0.15 0.98 -0.40 4.05 2.04 -1.07 -0.52 117.51 122.45 1om5 h ILE 402 Ca -0.01 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 65.49 1om5 h ILE 402 Cb 0.13 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.21 1om5 h ILE 402 CO 0.01 0.16 0.02 0.22 0.00 0.00 0.00 178.15 178.56 1om5 h TYR 403 N 0.89 0.75 -0.21 1.37 3.20 -0.95 -2.87 116.97 119.14 1om5 h TYR 403 Ca 0.38 -0.12 -0.03 0.00 3.14 0.00 0.00 58.73 62.10 1om5 h TYR 403 Cb 0.26 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 1om5 h TYR 403 CO -0.04 0.76 0.03 0.78 -1.64 0.00 0.00 178.16 178.04 1om5 h GLY 404 N 0.52 0.38 0.59 1.82 0.00 -0.17 -2.48 103.07 103.74 1om5 h GLY 404 Ca 0.12 -0.26 0.05 0.00 0.00 0.00 0.00 47.33 47.24 1om5 h GLY 404 CO 0.02 0.24 0.11 0.00 0.00 0.00 0.00 176.54 176.91 1om5 h ALA 405 N 0.83 0.44 -0.54 3.60 0.00 -1.14 0.40 119.26 122.85 1om5 h ALA 405 Ca 0.06 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1om5 h ALA 405 Cb 0.34 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1om5 h ALA 405 CO 0.01 -0.29 0.26 0.87 0.00 0.00 0.00 179.25 180.10 1om5 h LYS 406 N 0.25 0.76 0.00 0.00 1.57 -1.50 -2.05 116.57 115.61 1om5 h LYS 406 Ca 0.18 -0.09 -0.16 0.00 -1.87 0.00 0.00 60.65 58.71 1om5 h LYS 406 Cb 0.19 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1om5 h LYS 406 CO -0.21 0.59 -0.79 0.45 -0.57 0.00 0.00 179.45 178.93 1om5 h HIS 407 N 0.76 0.00 -0.55 -1.35 3.86 -0.77 0.11 115.15 117.21 1om5 h HIS 407 Ca 0.19 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.36 1om5 h HIS 407 Cb 0.09 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 1om5 h HIS 407 CO 0.01 0.79 0.18 0.00 0.86 0.00 0.00 177.93 179.76 1om5 h ALA 408 N 1.21 0.72 0.14 2.45 0.00 0.23 0.74 119.26 124.76 1om5 h ALA 408 Ca -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1om5 h ALA 408 Cb 1.59 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1om5 h ALA 408 CO 0.10 0.38 -0.07 2.35 0.00 0.00 0.00 179.25 182.01 1om5 h TRP 409 N 0.77 -0.18 -0.66 0.00 7.01 -1.24 -2.78 115.95 118.87 1om5 h TRP 409 Ca 0.18 -0.00 0.19 0.00 2.11 0.00 0.00 58.89 61.37 1om5 h TRP 409 Cb 0.27 0.06 -0.03 0.00 -2.10 0.00 0.00 29.16 27.36 1om5 h TRP 409 CO 0.02 0.09 0.50 -0.09 -2.79 0.00 0.00 178.44 176.16 1om5 h ARG 410 N -0.43 0.00 -0.01 2.65 2.43 -0.50 0.29 114.38 118.81 1om5 h ARG 410 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1om5 h ARG 410 Cb 0.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1om5 h ARG 410 CO 0.03 0.00 -0.18 0.09 -1.51 0.00 0.00 179.97 178.40 1om5 n ASN 411 N -4.22 1.39 -4.56 -3.80 3.02 0.23 -4.83 115.26 102.48 1om5 n ASN 411 Ca 0.13 -1.21 -0.26 0.00 -0.03 0.00 0.00 54.58 53.21 1om5 n ASN 411 Cb 0.76 0.12 -0.05 0.00 -0.61 0.00 0.00 39.78 39.99 1om5 n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1om5 s ALA 412 N -2.31 1.47 0.59 5.41 0.00 0.09 -4.77 121.76 122.24 1om5 s ALA 412 Ca 0.28 -1.06 0.38 0.00 0.00 0.00 0.00 51.96 51.57 1om5 s ALA 412 Cb 0.20 -4.51 2.09 0.00 0.00 0.00 0.00 23.12 20.90 1om5 s ALA 412 CO 0.45 -4.95 2.18 0.66 0.00 0.00 0.00 175.76 174.09 1om5 h SER 413 N 12.92 0.00 -0.53 0.00 4.64 -1.88 -0.31 113.55 128.39 1om5 h SER 413 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1om5 h SER 413 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1om5 h SER 413 CO 1.15 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.65 1om5 n ARG 414 N -2.95 2.34 -3.71 4.77 1.74 -1.26 0.35 116.66 117.94 1om5 n ARG 414 Ca -0.03 -2.07 -0.37 0.00 -0.77 0.00 0.00 57.85 54.61 1om5 n ARG 414 Cb 0.16 -1.46 -0.12 0.00 -1.02 0.00 0.00 32.46 30.02 1om5 n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1om5 h VAL 416 N 5.60 0.00 -0.60 0.00 3.04 -1.89 -3.31 116.25 119.09 1om5 h VAL 416 Ca -0.35 -0.53 -0.23 0.00 -1.01 0.00 0.00 66.70 64.58 1om5 h VAL 416 Cb 1.16 1.28 -0.13 0.00 -2.01 0.00 0.00 31.29 31.59 1om5 h VAL 416 CO 0.59 0.00 0.29 0.61 -1.01 0.00 0.00 177.57 178.05 1om5 n GLY 417 N 1.31 3.32 0.00 3.17 0.00 -1.26 -4.46 105.19 107.26 1om5 n GLY 417 Ca 0.04 -0.74 0.05 0.00 0.00 0.00 0.00 46.02 45.37 1om5 n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1om5 n ARG 418 N -0.23 0.15 0.29 1.61 1.74 -1.25 -2.62 116.66 116.35 1om5 n ARG 418 Ca 0.34 0.19 0.17 0.00 -0.77 0.00 0.00 57.85 57.78 1om5 n ARG 418 Cb 1.19 -1.50 0.91 0.00 -1.02 0.00 0.00 32.46 32.03 1om5 n ARG 418 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1om5 h ILE 419 N 0.00 0.28 -0.00 0.55 2.10 -1.91 -1.49 117.51 117.04 1om5 h ILE 419 Ca 0.00 -0.29 0.00 0.00 1.08 0.00 0.00 64.86 65.65 1om5 h ILE 419 Cb 0.10 1.22 0.00 0.00 -1.09 0.00 0.00 36.82 37.05 1om5 h ILE 419 CO 0.00 0.04 -0.41 0.00 -1.08 0.00 0.00 178.15 176.70 1om5 n GLN 420 N -3.39 0.07 -0.30 2.19 1.13 -1.08 -4.53 117.38 111.46 1om5 n GLN 420 Ca -0.02 -0.04 0.20 0.00 -1.94 0.00 0.00 57.00 55.20 1om5 n GLN 420 Cb 0.18 -1.50 0.38 0.00 0.11 0.00 0.00 30.24 29.40 1om5 n GLN 420 CO 0.00 0.00 0.00 -2.67 -1.44 0.00 0.00 177.06 172.95 1om5 n TRP 421 N -1.43 0.78 0.12 1.08 4.27 -0.56 -0.38 117.44 121.31 1om5 n TRP 421 Ca 0.06 1.09 0.03 0.00 -3.89 0.00 0.00 57.50 54.79 1om5 n TRP 421 Cb 0.34 -1.31 0.40 0.00 -1.36 0.00 0.00 31.31 29.38 1om5 n TRP 421 CO 0.00 0.00 0.00 0.66 -2.29 0.00 0.00 177.69 176.06 1om5 h SER 422 N 0.00 0.22 -3.05 -0.67 4.64 -1.83 -3.34 113.55 109.51 1om5 h SER 422 Ca 0.64 -0.04 -0.78 0.00 -0.47 0.00 0.00 61.79 61.14 1om5 h SER 422 Cb 1.51 -0.06 -0.25 0.00 -0.31 0.00 0.00 62.40 63.30 1om5 h SER 422 CO -0.79 0.36 0.79 0.29 -0.87 0.00 0.00 176.83 176.61 1om5 n LYS 423 N -4.29 3.56 -4.81 4.77 5.02 0.49 -4.98 118.16 117.92 1om5 n LYS 423 Ca -0.01 -4.26 -0.26 0.00 -2.02 0.00 0.00 58.31 51.76 1om5 n LYS 423 Cb 0.26 -2.70 -0.16 0.00 -0.02 0.00 0.00 35.03 32.41 1om5 n LYS 423 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1om5 s LEU 424 N -0.54 1.86 -0.36 -0.35 2.96 -1.26 -4.54 118.68 116.45 1om5 s LEU 424 Ca 0.35 -0.36 -0.21 0.00 -0.22 0.00 0.00 54.13 53.69 1om5 s LEU 424 Cb -0.06 -0.98 0.00 0.00 0.50 0.00 0.00 46.19 45.65 1om5 s LEU 424 CO -0.04 0.12 0.65 -1.58 -1.32 0.00 0.00 176.35 174.18 1om5 s GLN 425 N 0.24 3.66 -0.28 1.98 2.00 -1.05 -4.95 119.66 121.26 1om5 s GLN 425 Ca -0.08 0.05 -0.11 0.00 -2.00 0.00 0.00 55.36 53.21 1om5 s GLN 425 Cb -0.13 -3.82 -0.05 0.00 0.80 0.00 0.00 33.01 29.81 1om5 s GLN 425 CO 0.03 -0.77 0.21 0.08 -0.50 0.00 0.00 175.29 174.35 1om5 s VAL 426 N 2.76 5.29 -0.24 1.34 1.01 -1.26 -1.29 120.40 128.00 1om5 s VAL 426 Ca 0.25 0.20 -0.09 0.00 0.00 0.00 0.00 61.98 62.34 1om5 s VAL 426 Cb -0.14 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1om5 s VAL 426 CO 0.15 0.23 0.13 -0.36 0.00 0.00 0.00 175.10 175.26 1om5 s PHE 427 N 1.79 3.23 -0.62 5.22 0.08 -0.13 -4.99 117.98 122.57 1om5 s PHE 427 Ca 0.08 0.04 -0.24 0.00 0.12 0.00 0.00 56.93 56.93 1om5 s PHE 427 Cb -0.16 -2.25 0.05 0.00 -0.57 0.00 0.00 43.02 40.09 1om5 s PHE 427 CO 0.11 -0.06 0.99 0.34 -0.10 0.00 0.00 175.22 176.50 1om5 s ASP 428 N 1.20 6.25 -0.24 1.36 -1.08 -1.26 -1.41 116.67 121.50 1om5 s ASP 428 Ca 0.06 -0.62 0.14 0.00 -0.52 0.00 0.00 52.55 51.61 1om5 s ASP 428 Cb -0.14 -2.44 0.67 0.00 -1.46 0.00 0.00 42.92 39.54 1om5 s ASP 428 CO 0.05 -1.38 1.61 0.00 0.52 0.00 0.00 175.17 175.97 1om5 n ALA 429 N 7.78 3.69 0.34 3.66 0.00 0.66 -4.64 120.51 132.00 1om5 n ALA 429 Ca -0.00 -2.26 0.10 0.00 0.00 0.00 0.00 53.44 51.28 1om5 n ALA 429 Cb 0.47 -0.95 0.46 0.00 0.00 0.00 0.00 19.45 19.42 1om5 n ALA 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1om5 n ARG 430 N -0.12 0.14 0.00 0.00 1.74 -1.00 -2.07 116.66 115.35 1om5 n ARG 430 Ca 0.28 0.45 0.13 0.00 -0.77 0.00 0.00 57.85 57.94 1om5 n ARG 430 Cb 1.10 -1.81 0.41 0.00 -1.02 0.00 0.00 32.46 31.14 1om5 n ARG 430 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1om5 n ASP 431 N -2.09 1.43 -4.77 0.55 5.75 -1.26 -4.54 116.55 111.62 1om5 n ASP 431 Ca 0.01 -1.28 -0.39 0.00 -0.01 0.00 0.00 54.79 53.13 1om5 n ASP 431 Cb 0.16 0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 1om5 n ASP 431 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1om5 n THR 433 N -0.16 0.00 -4.20 0.00 -2.24 -1.26 -4.78 114.28 101.63 1om5 n THR 433 Ca 0.05 -0.18 -0.12 0.00 -2.27 0.00 0.00 64.05 61.54 1om5 n THR 433 Cb 0.45 0.89 -0.10 0.00 -2.10 0.00 0.00 70.33 69.47 1om5 n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1om5 s THR 434 N -0.47 0.33 0.19 4.28 -4.23 -1.26 -4.55 115.64 109.93 1om5 s THR 434 Ca 0.00 -1.95 -0.12 0.00 -1.18 0.00 0.00 61.69 58.44 1om5 s THR 434 Cb 0.00 -2.16 0.10 0.00 1.34 0.00 0.00 72.50 71.79 1om5 s THR 434 CO 0.00 -0.39 1.85 0.00 -0.54 0.00 0.00 174.62 175.54 1om5 h ALA 435 N 2.75 0.78 -0.73 3.99 0.00 -1.90 -0.74 119.26 123.41 1om5 h ALA 435 Ca -0.36 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.56 1om5 h ALA 435 Cb 1.21 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 1om5 h ALA 435 CO 0.60 0.20 0.44 0.45 0.00 0.00 0.00 179.25 180.94 1om5 h HIS 436 N 0.82 0.81 -0.80 0.00 -0.00 -1.96 0.41 115.15 114.44 1om5 h HIS 436 Ca 0.23 0.02 0.07 0.00 -0.00 0.00 0.00 60.37 60.69 1om5 h HIS 436 Cb -0.08 -0.26 -0.06 0.00 -0.00 0.00 0.00 27.41 27.01 1om5 h HIS 436 CO -0.03 0.43 0.47 0.78 -0.00 0.00 0.00 177.93 179.58 1om5 h GLY 437 N 0.83 1.20 1.41 2.45 0.00 -1.66 -0.60 103.07 106.69 1om5 h GLY 437 Ca 0.31 -0.33 -0.06 0.00 0.00 0.00 0.00 47.33 47.25 1om5 h GLY 437 CO -0.15 0.20 0.05 -0.33 0.00 0.00 0.00 176.54 176.32 1om5 h MET 438 N 0.85 0.73 -0.41 4.80 0.00 0.38 -2.15 114.93 119.13 1om5 h MET 438 Ca 0.36 -0.17 -0.02 0.00 0.00 0.00 0.00 59.70 59.87 1om5 h MET 438 Cb 0.22 -0.10 -0.02 0.00 0.00 0.00 0.00 31.60 31.70 1om5 h MET 438 CO -0.19 0.71 0.18 0.35 0.00 0.00 0.00 176.91 177.96 1om5 h PHE 439 N 0.70 0.61 -0.23 -0.22 3.04 0.52 0.72 116.94 122.07 1om5 h PHE 439 Ca 0.15 -0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.06 1om5 h PHE 439 Cb 0.35 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.67 1om5 h PHE 439 CO 0.02 0.52 0.15 -0.97 -2.02 0.00 0.00 178.31 176.00 1om5 h ASN 440 N 0.52 0.27 -0.70 0.41 -1.24 -1.07 -0.31 115.58 113.46 1om5 h ASN 440 Ca 0.14 -0.03 0.04 0.00 0.71 0.00 0.00 56.30 57.16 1om5 h ASN 440 Cb 0.15 -0.07 -0.05 0.00 0.73 0.00 0.00 38.32 39.08 1om5 h ASN 440 CO -0.02 0.22 0.43 1.88 -1.29 0.00 0.00 177.43 178.65 1om5 h TYR 441 N 0.30 0.81 -0.30 0.67 -1.99 -1.12 -2.08 116.97 113.26 1om5 h TYR 441 Ca 0.08 0.02 -0.06 0.00 2.00 0.00 0.00 58.73 60.77 1om5 h TYR 441 Cb -0.01 -0.26 -0.01 0.00 2.00 0.00 0.00 36.73 38.45 1om5 h TYR 441 CO -0.05 0.45 -0.06 0.82 -0.00 0.00 0.00 178.16 179.31 1om5 h ILE 442 N 0.83 1.28 -0.99 -2.88 2.04 -0.59 -2.29 117.51 114.92 1om5 h ILE 442 Ca 0.29 -1.08 0.07 0.00 1.00 0.00 0.00 64.86 65.14 1om5 h ILE 442 Cb 0.06 1.37 -0.07 0.00 -0.74 0.00 0.00 36.82 37.44 1om5 h ILE 442 CO -0.12 0.35 0.63 0.00 0.00 0.00 0.00 178.15 179.01 1om5 h ASN 444 N 1.13 0.08 -0.13 0.00 2.35 -1.25 -1.28 115.58 116.49 1om5 h ASN 444 Ca 0.44 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 56.11 1om5 h ASN 444 Cb 0.21 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.55 1om5 h ASN 444 CO -0.19 0.63 -0.02 -0.74 -1.65 0.00 0.00 177.43 175.46 1om5 h HIS 445 N 0.06 0.28 -0.61 1.19 2.76 -0.61 -0.62 115.15 117.60 1om5 h HIS 445 Ca -0.00 -0.06 -0.04 0.00 -2.20 0.00 0.00 60.37 58.07 1om5 h HIS 445 Cb 1.01 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.88 1om5 h HIS 445 CO 0.01 0.52 0.22 0.28 -1.30 0.00 0.00 177.93 177.66 1om5 h VAL 446 N -0.05 1.24 0.23 5.26 2.07 -0.81 -0.50 116.25 123.69 1om5 h VAL 446 Ca 0.03 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 1om5 h VAL 446 Cb 0.43 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1om5 h VAL 446 CO 0.01 0.29 -0.11 0.50 0.02 0.00 0.00 177.57 178.28 1om5 h LYS 447 N 0.85 -0.30 -0.05 1.57 3.64 -1.17 -0.88 116.57 120.23 1om5 h LYS 447 Ca 0.20 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.62 1om5 h LYS 447 Cb 0.23 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1om5 h LYS 447 CO -0.01 0.02 -0.08 -0.92 -2.27 0.00 0.00 179.45 176.19 1om5 h TYR 448 N -0.66 -0.20 -0.60 1.91 3.20 -1.10 -2.24 116.97 117.28 1om5 h TYR 448 Ca -0.03 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1om5 h TYR 448 Cb 0.46 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.80 1om5 h TYR 448 CO 0.03 -0.13 0.39 0.00 -1.64 0.00 0.00 178.16 176.81 1om5 h ALA 449 N 0.92 0.76 0.26 1.82 0.00 -1.11 -3.11 119.26 118.80 1om5 h ALA 449 Ca 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1om5 h ALA 449 Cb 0.19 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1om5 h ALA 449 CO -0.12 0.21 -0.13 1.15 0.00 0.00 0.00 179.25 180.36 1om5 h THR 450 N 0.81 0.78 -5.97 0.00 2.02 -1.05 0.05 112.91 109.56 1om5 h THR 450 Ca 0.22 -0.34 -0.43 0.00 0.77 0.00 0.00 66.41 66.63 1om5 h THR 450 Cb -0.08 0.97 0.07 0.00 -1.74 0.00 0.00 68.15 67.37 1om5 h THR 450 CO -0.05 0.07 -0.71 -3.20 0.37 0.00 0.00 175.52 172.01 1om5 n ASN 451 N -5.17 -5.79 -1.06 4.18 4.05 -0.85 -2.21 115.26 108.40 1om5 n ASN 451 Ca -0.10 -0.62 -0.14 0.00 0.45 0.00 0.00 54.58 54.18 1om5 n ASN 451 Cb 0.21 -4.58 -0.06 0.00 1.23 0.00 0.00 39.78 36.58 1om5 n ASN 451 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1om5 n LYS 452 N -4.85 -1.10 0.00 1.20 5.02 -1.26 -2.79 118.16 114.38 1om5 n LYS 452 Ca 0.02 0.98 0.00 0.00 -2.02 0.00 0.00 58.31 57.29 1om5 n LYS 452 Cb 0.55 -5.12 0.00 0.00 -0.02 0.00 0.00 35.03 30.44 1om5 n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1om5 n GLY 453 N -1.01 1.67 3.43 0.72 0.00 -0.94 -4.91 105.19 104.15 1om5 n GLY 453 Ca -0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 1om5 n GLY 453 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1om5 s ASN 454 N -1.41 6.94 0.59 1.61 3.04 -1.12 0.16 114.94 124.76 1om5 s ASN 454 Ca 0.00 -2.76 -0.19 0.00 0.04 0.00 0.00 52.86 49.95 1om5 s ASN 454 Cb 0.00 -2.35 -0.03 0.00 -1.54 0.00 0.00 41.25 37.32 1om5 s ASN 454 CO 0.00 -0.76 1.26 -0.76 -3.04 0.00 0.00 177.10 173.80 1om5 s LEU 455 N 1.37 3.69 0.01 3.21 1.43 -1.18 -4.37 118.68 122.83 1om5 s LEU 455 Ca 0.35 2.53 0.03 0.00 -1.03 0.00 0.00 54.13 56.02 1om5 s LEU 455 Cb -0.05 -4.52 -0.01 0.00 0.03 0.00 0.00 46.19 41.63 1om5 s LEU 455 CO -0.05 -1.69 -0.10 -0.13 0.23 0.00 0.00 176.35 174.61 1om5 s ARG 456 N -3.23 0.74 0.58 1.70 0.52 0.00 -5.01 118.95 114.26 1om5 s ARG 456 Ca 0.77 -0.44 -0.18 0.00 -0.52 0.00 0.00 55.73 55.37 1om5 s ARG 456 Cb -0.35 -0.70 -0.04 0.00 0.52 0.00 0.00 34.95 34.39 1om5 s ARG 456 CO 0.38 0.18 1.11 -1.12 0.02 0.00 0.00 175.30 175.87 1om5 s SER 457 N -0.51 5.58 -0.18 0.23 0.01 -1.26 -4.59 113.70 112.98 1om5 s SER 457 Ca 0.02 2.05 -0.33 0.00 1.31 0.00 0.00 55.95 59.00 1om5 s SER 457 Cb -0.05 -2.56 0.14 0.00 0.21 0.00 0.00 66.02 63.76 1om5 s SER 457 CO 0.00 -1.31 1.16 0.00 0.41 0.00 0.00 173.24 173.51 1om5 s ALA 458 N -2.07 -2.03 -0.10 1.44 0.00 -0.91 -2.51 121.76 115.58 1om5 s ALA 458 Ca 0.69 1.59 -0.10 0.00 0.00 0.00 0.00 51.96 54.14 1om5 s ALA 458 Cb -0.21 -0.42 0.03 0.00 0.00 0.00 0.00 23.12 22.52 1om5 s ALA 458 CO 0.32 -0.49 0.29 -1.50 0.00 0.00 0.00 175.76 174.38 1om5 s ILE 459 N -2.01 0.00 -0.18 0.00 2.07 -0.41 -1.01 121.20 119.66 1om5 s ILE 459 Ca 0.07 -0.03 -0.03 0.00 -1.41 0.00 0.00 60.65 59.25 1om5 s ILE 459 Cb -0.01 -0.42 -0.02 0.00 0.13 0.00 0.00 42.46 42.15 1om5 s ILE 459 CO -0.05 -0.02 -0.06 -0.89 -1.91 0.00 0.00 174.94 172.02 1om5 s THR 460 N 0.07 3.47 -0.31 4.00 2.01 -0.72 -0.95 115.64 123.20 1om5 s THR 460 Ca -0.01 -0.49 -0.07 0.00 0.31 0.00 0.00 61.69 61.43 1om5 s THR 460 Cb -0.02 -2.54 0.02 0.00 0.01 0.00 0.00 72.50 69.97 1om5 s THR 460 CO 0.01 0.46 0.10 -0.63 -0.69 0.00 0.00 174.62 173.87 1om5 s ILE 461 N 0.89 4.01 0.80 1.82 1.01 -0.50 -3.45 121.20 125.78 1om5 s ILE 461 Ca -0.01 -0.81 -0.07 0.00 0.00 0.00 0.00 60.65 59.76 1om5 s ILE 461 Cb -0.15 -3.14 0.14 0.00 0.01 0.00 0.00 42.46 39.33 1om5 s ILE 461 CO 0.01 -0.02 1.11 -0.36 0.00 0.00 0.00 174.94 175.68 1om5 s PHE 462 N 1.49 1.78 0.18 3.97 0.08 -0.83 -0.25 117.98 124.41 1om5 s PHE 462 Ca 0.02 0.03 -0.33 0.00 0.12 0.00 0.00 56.93 56.77 1om5 s PHE 462 Cb -0.18 -3.41 -0.15 0.00 -0.57 0.00 0.00 43.02 38.71 1om5 s PHE 462 CO 0.03 -1.99 1.22 -2.30 -0.10 0.00 0.00 175.22 172.09 1om5 n PRO 463 N -3.16 1.36 -2.11 0.24 -0.02 -1.26 -4.64 135.00 125.41 1om5 n PRO 463 Ca 0.14 0.48 -0.34 0.00 -2.02 0.00 0.00 63.50 61.77 1om5 n PRO 463 Cb 0.60 -2.02 0.01 0.00 -0.02 0.00 0.00 33.50 32.07 1om5 n PRO 463 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1om5 s GLN 464 N -0.35 3.23 0.57 -0.52 -2.07 -1.26 -4.54 119.66 114.72 1om5 s GLN 464 Ca 0.72 1.45 -0.21 0.00 -1.82 0.00 0.00 55.36 55.51 1om5 s GLN 464 Cb -0.81 -2.00 -0.04 0.00 -1.09 0.00 0.00 33.01 29.07 1om5 s GLN 464 CO 0.51 -0.92 1.33 0.50 -1.32 0.00 0.00 175.29 175.39 1om5 s ARG 465 N -3.65 2.99 0.00 9.60 3.52 0.43 -4.97 118.95 126.87 1om5 s ARG 465 Ca 0.69 2.15 0.00 0.00 -0.13 0.00 0.00 55.73 58.44 1om5 s ARG 465 Cb -0.21 -2.13 0.00 0.00 -1.56 0.00 0.00 34.95 31.05 1om5 s ARG 465 CO 0.32 -1.28 0.00 0.25 -0.81 0.00 0.00 175.30 173.78 1om5 n THR 466 N -1.28 0.00 -0.01 4.11 -2.24 -1.26 -4.81 114.28 108.78 1om5 n THR 466 Ca 0.12 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.00 1om5 n THR 466 Cb 0.46 -0.38 0.23 0.00 -2.10 0.00 0.00 70.33 68.54 1om5 n THR 466 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1om5 n ASP 467 N -0.61 3.43 0.00 3.42 5.68 -1.26 -4.57 116.55 122.63 1om5 n ASP 467 Ca 0.00 -1.96 0.00 0.00 -0.50 0.00 0.00 54.79 52.33 1om5 n ASP 467 Cb 0.00 -0.31 0.00 0.00 -1.14 0.00 0.00 41.12 39.67 1om5 n ASP 467 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1om5 n GLY 468 N 1.30 0.70 0.00 6.12 0.00 -1.26 -4.76 105.19 107.29 1om5 n GLY 468 Ca 0.19 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.29 1om5 n GLY 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1om5 n LYS 469 N -2.00 0.99 -0.61 1.61 5.02 -1.26 -4.45 118.16 117.46 1om5 n LYS 469 Ca 0.00 -0.05 0.05 0.00 -2.02 0.00 0.00 58.31 56.30 1om5 n LYS 469 Cb 0.02 -1.36 0.21 0.00 -0.02 0.00 0.00 35.03 33.87 1om5 n LYS 469 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1om5 n HIS 470 N -1.62 0.08 -1.73 2.13 8.25 -1.26 -4.41 115.22 116.67 1om5 n HIS 470 Ca 0.01 -1.50 -0.38 0.00 -0.26 0.00 0.00 57.72 55.59 1om5 n HIS 470 Cb 0.33 -0.27 0.05 0.00 1.12 0.00 0.00 29.99 31.22 1om5 n HIS 470 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1om5 n ASP 471 N -1.12 2.47 -4.66 0.41 8.00 -1.26 -2.77 116.55 117.62 1om5 n ASP 471 Ca 0.20 0.95 -0.35 0.00 0.71 0.00 0.00 54.79 56.29 1om5 n ASP 471 Cb 0.72 -1.56 -0.09 0.00 -0.02 0.00 0.00 41.12 40.16 1om5 n ASP 471 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1om5 s PHE 472 N -1.31 3.30 0.02 1.24 0.40 -1.26 -0.59 117.98 119.77 1om5 s PHE 472 Ca 0.74 0.16 0.01 0.00 -0.60 0.00 0.00 56.93 57.23 1om5 s PHE 472 Cb -0.41 -2.16 -0.01 0.00 0.51 0.00 0.00 43.02 40.95 1om5 s PHE 472 CO 0.48 0.14 -0.03 1.03 0.70 0.00 0.00 175.22 177.54 1om5 s ARG 473 N 0.60 0.29 -0.34 0.44 1.81 -0.23 -2.56 118.95 118.96 1om5 s ARG 473 Ca 0.06 -0.44 -0.09 0.00 -1.72 0.00 0.00 55.73 53.54 1om5 s ARG 473 Cb -0.12 -0.05 0.02 0.00 -0.45 0.00 0.00 34.95 34.35 1om5 s ARG 473 CO 0.01 -0.00 0.15 0.08 -0.68 0.00 0.00 175.30 174.86 1om5 s VAL 474 N -0.94 4.31 0.38 3.52 1.01 -1.26 -0.75 120.40 126.67 1om5 s VAL 474 Ca -0.09 -0.80 0.14 0.00 0.00 0.00 0.00 61.98 61.24 1om5 s VAL 474 Cb -0.07 -3.33 0.12 0.00 0.00 0.00 0.00 36.38 33.10 1om5 s VAL 474 CO -0.00 -0.10 1.87 -0.50 0.00 0.00 0.00 175.10 176.36 1om5 h TRP 475 N 8.34 0.00 -4.16 5.22 4.06 -1.34 -3.43 115.95 124.65 1om5 h TRP 475 Ca -0.27 0.00 -0.51 0.00 2.06 0.00 0.00 58.89 60.16 1om5 h TRP 475 Cb 1.11 0.00 0.11 0.00 -1.00 0.00 0.00 29.16 29.38 1om5 h TRP 475 CO 0.60 0.32 0.40 -0.80 -3.56 0.00 0.00 178.44 175.40 1om5 s ASN 476 N -6.88 5.10 0.08 -3.49 -0.87 -1.26 -4.94 114.94 102.68 1om5 s ASN 476 Ca -0.03 2.14 -0.03 0.00 -1.57 0.00 0.00 52.86 53.38 1om5 s ASN 476 Cb 0.14 -2.57 -0.27 0.00 -0.02 0.00 0.00 41.25 38.53 1om5 s ASN 476 CO 0.71 -1.64 1.14 0.77 -2.57 0.00 0.00 177.10 175.51 1om5 h SER 477 N 0.34 0.36 -4.42 -1.22 4.64 -1.89 -3.35 113.55 108.00 1om5 h SER 477 Ca -0.48 -0.39 -0.36 0.00 -0.47 0.00 0.00 61.79 60.09 1om5 h SER 477 Cb 1.26 -0.12 -0.24 0.00 -0.31 0.00 0.00 62.40 63.00 1om5 h SER 477 CO 0.54 1.31 -0.76 -1.10 -0.87 0.00 0.00 176.83 175.95 1om5 s GLN 478 N -2.66 0.68 0.44 4.77 -0.21 -1.26 0.18 119.66 121.60 1om5 s GLN 478 Ca -0.04 -0.67 0.10 0.00 0.02 0.00 0.00 55.36 54.77 1om5 s GLN 478 Cb 0.07 -0.60 0.97 0.00 1.00 0.00 0.00 33.01 34.45 1om5 s GLN 478 CO 0.87 0.14 2.06 -0.07 -2.12 0.00 0.00 175.29 176.18 1om5 h LEU 479 N 4.91 0.29 -8.21 2.90 3.38 -1.51 -3.39 115.31 113.68 1om5 h LEU 479 Ca -0.36 -0.02 -0.62 0.00 0.09 0.00 0.00 57.88 56.98 1om5 h LEU 479 Cb 1.19 -0.07 -0.33 0.00 0.09 0.00 0.00 40.66 41.54 1om5 h LEU 479 CO 0.43 0.25 -0.86 -0.63 0.09 0.00 0.00 178.44 177.73 1om5 s ILE 480 N -5.25 1.71 -0.15 1.22 1.01 -1.26 -4.88 121.20 113.59 1om5 s ILE 480 Ca -0.07 -0.82 -0.29 0.00 0.00 0.00 0.00 60.65 59.47 1om5 s ILE 480 Cb 0.17 -1.49 0.11 0.00 0.01 0.00 0.00 42.46 41.26 1om5 s ILE 480 CO 0.71 0.48 0.91 -0.13 0.00 0.00 0.00 174.94 176.92 1om5 s ARG 481 N 0.43 0.71 0.29 2.79 0.52 -1.26 -4.87 118.95 117.55 1om5 s ARG 481 Ca -0.16 0.26 -0.18 0.00 -0.52 0.00 0.00 55.73 55.13 1om5 s ARG 481 Cb -0.17 0.33 -0.09 0.00 0.52 0.00 0.00 34.95 35.55 1om5 s ARG 481 CO 0.07 -0.20 0.76 0.71 0.02 0.00 0.00 175.30 176.66 1om5 s TYR 482 N -0.90 3.50 0.56 -0.53 4.12 -1.26 -0.05 117.35 122.80 1om5 s TYR 482 Ca -0.03 1.36 -0.16 0.00 0.02 0.00 0.00 57.07 58.26 1om5 s TYR 482 Cb -0.01 -2.62 -0.05 0.00 -1.52 0.00 0.00 41.96 37.76 1om5 s TYR 482 CO 0.03 0.19 1.03 0.00 0.02 0.00 0.00 175.55 176.81 1om5 s ALA 483 N -1.78 2.88 -0.03 3.71 0.00 -0.13 -4.53 121.76 121.88 1om5 s ALA 483 Ca 0.50 0.29 0.03 0.00 0.00 0.00 0.00 51.96 52.78 1om5 s ALA 483 Cb -0.13 -3.18 -0.00 0.00 0.00 0.00 0.00 23.12 19.80 1om5 s ALA 483 CO 0.19 -0.59 -0.12 0.20 0.00 0.00 0.00 175.76 175.44 1om5 s GLY 484 N -2.95 0.67 -0.09 0.00 0.00 -1.23 -1.55 107.32 102.17 1om5 s GLY 484 Ca 0.61 -0.48 -0.01 0.00 0.00 0.00 0.00 44.72 44.85 1om5 s GLY 484 CO 0.35 -0.23 -0.05 -0.19 0.00 0.00 0.00 173.10 172.99 1om5 s TYR 485 N 0.07 1.12 -0.14 1.90 1.51 0.24 -4.13 117.35 117.93 1om5 s TYR 485 Ca -0.02 -0.48 -0.29 0.00 -1.01 0.00 0.00 57.07 55.27 1om5 s TYR 485 Cb -0.09 -1.03 -0.01 0.00 -0.11 0.00 0.00 41.96 40.72 1om5 s TYR 485 CO 0.01 -0.41 1.11 0.21 -1.11 0.00 0.00 175.55 175.35 1om5 s LYS 486 N 1.73 4.33 0.33 -0.62 2.20 -1.26 -0.31 119.74 126.13 1om5 s LYS 486 Ca 0.03 1.50 -0.15 0.00 -0.36 0.00 0.00 55.97 57.00 1om5 s LYS 486 Cb -0.13 -3.61 -0.09 0.00 -1.51 0.00 0.00 37.83 32.49 1om5 s LYS 486 CO -0.06 -0.50 0.74 -0.65 -0.36 0.00 0.00 175.35 174.52 1om5 s GLN 487 N 2.65 3.99 0.48 4.03 -1.52 -0.68 -4.95 119.66 123.66 1om5 s GLN 487 Ca 0.50 0.66 0.27 0.00 -1.95 0.00 0.00 55.36 54.84 1om5 s GLN 487 Cb -0.20 -2.42 1.46 0.00 -0.22 0.00 0.00 33.01 31.63 1om5 s GLN 487 CO 0.15 0.14 1.80 -1.00 -0.25 0.00 0.00 175.29 176.12 1om5 h PRO 488 N 2.17 0.00 -0.19 2.91 0.13 -1.95 0.87 132.00 135.93 1om5 h PRO 488 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1om5 h PRO 488 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1om5 h PRO 488 CO 0.65 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.02 1om5 n ASP 489 N -2.53 1.17 0.00 1.44 5.68 -1.26 -4.91 116.55 116.13 1om5 n ASP 489 Ca -0.02 -1.89 0.00 0.00 -0.50 0.00 0.00 54.79 52.38 1om5 n ASP 489 Cb 0.19 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 1om5 n ASP 489 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1om5 n GLY 490 N 0.90 2.82 3.55 6.12 0.00 0.30 -5.03 105.19 113.85 1om5 n GLY 490 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1om5 n GLY 490 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1om5 s SER 491 N 0.26 0.45 -0.02 1.61 1.04 -1.26 -4.74 113.70 111.04 1om5 s SER 491 Ca 0.00 0.59 0.02 0.00 0.48 0.00 0.00 55.95 57.04 1om5 s SER 491 Cb 0.00 -0.79 0.00 0.00 0.10 0.00 0.00 66.02 65.34 1om5 s SER 491 CO 0.00 -4.41 -0.06 -0.89 0.98 0.00 0.00 173.24 168.86 1om5 s THR 492 N -2.92 0.57 -0.17 2.02 2.01 -1.26 -1.69 115.64 114.20 1om5 s THR 492 Ca 0.71 -0.25 -0.06 0.00 0.31 0.00 0.00 61.69 62.40 1om5 s THR 492 Cb -0.09 -0.52 -0.04 0.00 0.01 0.00 0.00 72.50 71.87 1om5 s THR 492 CO 0.56 0.19 0.02 -0.22 -0.69 0.00 0.00 174.62 174.48 1om5 s LEU 493 N 0.18 3.59 0.00 4.42 2.96 0.57 -4.93 118.68 125.48 1om5 s LEU 493 Ca -0.02 0.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.89 1om5 s LEU 493 Cb -0.07 -1.89 0.00 0.00 0.50 0.00 0.00 46.19 44.73 1om5 s LEU 493 CO -0.00 0.18 0.00 0.61 -1.32 0.00 0.00 176.35 175.82 1om5 n GLY 494 N 3.47 0.81 3.37 7.98 0.00 -1.26 0.83 105.19 120.38 1om5 n GLY 494 Ca -0.17 -1.34 -0.41 0.00 0.00 0.00 0.00 46.02 44.10 1om5 n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1om5 s ASP 495 N -4.00 5.84 0.52 1.61 -1.08 -0.60 -4.70 116.67 114.27 1om5 s ASP 495 Ca 0.00 -1.14 0.25 0.00 -0.52 0.00 0.00 52.55 51.14 1om5 s ASP 495 Cb 0.00 -2.06 1.38 0.00 -1.46 0.00 0.00 42.92 40.78 1om5 s ASP 495 CO 0.00 -0.47 1.97 -0.65 0.52 0.00 0.00 175.17 176.54 1om5 h PRO 496 N 8.51 0.03 0.00 4.34 0.11 -1.82 -0.91 132.00 142.26 1om5 h PRO 496 Ca -0.26 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.85 1om5 h PRO 496 Cb 1.10 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1om5 h PRO 496 CO 0.73 0.02 -0.02 0.00 -0.21 0.00 0.00 178.00 178.52 1om5 h ALA 497 N 1.70 1.11 -0.34 -0.75 0.00 -1.93 -2.60 119.26 116.45 1om5 h ALA 497 Ca 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1om5 h ALA 497 Cb 1.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1om5 h ALA 497 CO -0.01 0.02 0.00 0.09 0.00 0.00 0.00 179.25 179.35 1om5 n ASN 498 N -3.27 2.94 -0.07 0.00 3.02 -0.35 -4.73 115.26 112.79 1om5 n ASN 498 Ca -0.02 -2.02 -0.07 0.00 -0.03 0.00 0.00 54.58 52.44 1om5 n ASN 498 Cb 0.14 -0.24 -0.01 0.00 -0.61 0.00 0.00 39.78 39.06 1om5 n ASN 498 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1om5 h VAL 499 N 2.01 0.79 -0.34 2.41 2.07 -1.51 0.35 116.25 122.03 1om5 h VAL 499 Ca 0.00 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.51 1om5 h VAL 499 Cb 0.74 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1om5 h VAL 499 CO 0.00 0.01 0.19 -0.61 0.02 0.00 0.00 177.57 177.19 1om5 h GLN 500 N 0.08 0.38 -0.47 1.57 4.15 -1.85 -1.38 115.11 117.60 1om5 h GLN 500 Ca 0.14 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.50 1om5 h GLN 500 Cb 0.18 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 1om5 h GLN 500 CO -0.23 0.25 0.15 0.35 -1.93 0.00 0.00 178.83 177.42 1om5 h PHE 501 N 0.40 0.75 -1.01 3.99 3.57 -1.80 -2.35 116.94 120.49 1om5 h PHE 501 Ca 0.14 -0.08 0.14 0.00 3.53 0.00 0.00 57.97 61.70 1om5 h PHE 501 Cb 0.02 -0.22 -0.09 0.00 2.79 0.00 0.00 35.95 38.45 1om5 h PHE 501 CO -0.08 0.66 0.63 1.15 -2.23 0.00 0.00 178.31 178.44 1om5 h THR 502 N 0.62 0.86 0.99 4.41 2.02 0.07 -1.42 112.91 120.45 1om5 h THR 502 Ca 0.15 -0.32 -0.05 0.00 0.77 0.00 0.00 66.41 66.96 1om5 h THR 502 Cb 0.27 -0.16 0.01 0.00 -1.74 0.00 0.00 68.15 66.53 1om5 h THR 502 CO -0.00 0.17 -0.48 -0.33 0.37 0.00 0.00 175.52 175.24 1om5 h GLU 503 N 0.93 -1.29 -1.10 6.66 5.08 -0.76 -1.73 114.58 122.38 1om5 h GLU 503 Ca 0.52 0.09 0.30 0.00 -1.00 0.00 0.00 59.36 59.27 1om5 h GLU 503 Cb 0.60 0.29 -0.10 0.00 0.50 0.00 0.00 28.75 30.05 1om5 h GLU 503 CO -0.30 -0.86 0.71 0.82 -1.00 0.00 0.00 179.01 178.38 1om5 h ILE 504 N -1.33 0.44 -0.20 3.13 2.04 -0.95 0.35 117.51 120.98 1om5 h ILE 504 Ca -0.14 -0.11 -0.04 0.00 1.00 0.00 0.00 64.86 65.57 1om5 h ILE 504 Cb 1.03 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1om5 h ILE 504 CO 0.22 0.06 -0.04 0.00 0.00 0.00 0.00 178.15 178.39 1om5 h ILE 506 N 0.11 1.25 0.00 0.00 2.04 0.09 0.57 117.51 121.56 1om5 h ILE 506 Ca 0.05 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 65.01 1om5 h ILE 506 Cb 0.48 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1om5 h ILE 506 CO 0.02 0.31 0.00 1.67 0.00 0.00 0.00 178.15 180.15 1om5 n GLN 507 N -4.48 0.07 0.00 2.37 7.27 0.96 -1.51 117.38 122.07 1om5 n GLN 507 Ca 0.00 0.45 0.09 0.00 0.07 0.00 0.00 57.00 57.62 1om5 n GLN 507 Cb 0.24 -1.69 0.01 0.00 2.41 0.00 0.00 30.24 31.21 1om5 n GLN 507 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1om5 n GLN 508 N -1.84 1.52 0.00 3.69 1.13 -0.62 -4.95 117.38 116.31 1om5 n GLN 508 Ca 0.01 -0.99 0.00 0.00 -1.94 0.00 0.00 57.00 54.08 1om5 n GLN 508 Cb 0.10 -1.37 0.00 0.00 0.11 0.00 0.00 30.24 29.08 1om5 n GLN 508 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1om5 n GLY 509 N 1.25 0.51 3.73 1.08 0.00 -0.57 -4.95 105.19 106.25 1om5 n GLY 509 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1om5 n GLY 509 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1om5 s TRP 510 N -1.49 3.56 -0.64 1.61 -0.00 0.09 -4.97 118.94 117.11 1om5 s TRP 510 Ca 0.00 1.53 -0.15 0.00 -0.00 0.00 0.00 56.10 57.49 1om5 s TRP 510 Cb 0.00 -3.30 0.16 0.00 -0.00 0.00 0.00 33.47 30.34 1om5 s TRP 510 CO 0.00 -0.71 0.59 0.15 -0.00 0.00 0.00 176.95 176.97 1om5 s LYS 511 N 0.12 3.18 0.17 5.86 -0.14 -1.26 -4.33 119.74 123.33 1om5 s LYS 511 Ca 0.52 -1.99 -0.30 0.00 -1.36 0.00 0.00 55.97 52.84 1om5 s LYS 511 Cb -0.29 -4.32 -0.08 0.00 -1.68 0.00 0.00 37.83 31.47 1om5 s LYS 511 CO 0.33 -1.31 1.12 0.00 -0.76 0.00 0.00 175.35 174.73 1om5 s ALA 512 N 1.07 3.38 -0.68 5.17 0.00 -1.26 -4.91 121.76 124.53 1om5 s ALA 512 Ca 0.08 0.84 0.20 0.00 0.00 0.00 0.00 51.96 53.08 1om5 s ALA 512 Cb -0.23 -3.37 0.84 0.00 0.00 0.00 0.00 23.12 20.36 1om5 s ALA 512 CO -0.01 -0.25 1.61 -2.30 0.00 0.00 0.00 175.76 174.80 1om5 n PRO 513 N 2.49 0.12 -2.64 0.00 -0.02 -1.26 -4.87 135.00 128.82 1om5 n PRO 513 Ca 0.03 0.36 -0.21 0.00 -2.02 0.00 0.00 63.50 61.67 1om5 n PRO 513 Cb 0.46 -1.73 0.01 0.00 -0.02 0.00 0.00 33.50 32.22 1om5 n PRO 513 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1om5 n ARG 514 N -1.96 -2.95 -0.65 -0.52 5.12 -1.26 -5.01 116.66 109.44 1om5 n ARG 514 Ca 0.03 0.94 0.00 0.00 -1.93 0.00 0.00 57.85 56.89 1om5 n ARG 514 Cb 0.20 -5.64 0.00 0.00 -1.16 0.00 0.00 32.46 25.86 1om5 n ARG 514 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1om5 n GLY 515 N -1.23 1.08 0.09 -0.13 0.00 -1.26 -5.05 105.19 98.68 1om5 n GLY 515 Ca -0.19 -1.99 -0.04 0.00 0.00 0.00 0.00 46.02 43.80 1om5 n GLY 515 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1om5 n ARG 516 N -0.90 0.63 -3.13 1.61 0.63 -1.26 -4.44 116.66 109.80 1om5 n ARG 516 Ca 0.00 0.23 -0.22 0.00 -0.92 0.00 0.00 57.85 56.94 1om5 n ARG 516 Cb 0.00 -1.77 -0.04 0.00 0.45 0.00 0.00 32.46 31.10 1om5 n ARG 516 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1om5 n PHE 517 N -2.93 1.58 -3.04 -0.14 3.01 -1.26 -4.34 117.46 110.34 1om5 n PHE 517 Ca -0.14 -3.87 -0.42 0.00 1.01 0.00 0.00 57.45 54.03 1om5 n PHE 517 Cb 0.94 -0.44 -0.06 0.00 -0.01 0.00 0.00 39.48 39.91 1om5 n PHE 517 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1om5 s ASP 518 N -2.64 6.51 -0.10 4.37 1.01 -1.26 -4.93 116.67 119.63 1om5 s ASP 518 Ca 0.42 0.33 -0.29 0.00 0.71 0.00 0.00 52.55 53.72 1om5 s ASP 518 Cb 0.30 -2.36 -0.06 0.00 1.01 0.00 0.00 42.92 41.81 1om5 s ASP 518 CO -0.10 -0.62 1.90 -0.69 0.21 0.00 0.00 175.17 175.88 1om5 s VAL 519 N 2.85 3.26 0.70 -1.27 1.01 -1.26 -0.95 120.40 124.73 1om5 s VAL 519 Ca 0.28 0.30 -0.16 0.00 0.00 0.00 0.00 61.98 62.39 1om5 s VAL 519 Cb -0.14 -3.24 0.02 0.00 0.00 0.00 0.00 36.38 33.02 1om5 s VAL 519 CO 0.15 -0.08 1.25 -0.76 0.00 0.00 0.00 175.10 175.65 1om5 s LEU 520 N 5.53 3.41 0.51 3.92 1.43 0.92 -4.91 118.68 129.50 1om5 s LEU 520 Ca 0.85 2.50 -0.09 0.00 -1.03 0.00 0.00 54.13 56.36 1om5 s LEU 520 Cb -0.35 -4.60 -0.05 0.00 0.03 0.00 0.00 46.19 41.22 1om5 s LEU 520 CO 0.35 -2.22 0.88 -2.16 0.23 0.00 0.00 176.35 173.43 1om5 s PRO 521 N -3.68 3.66 0.21 1.29 0.04 -1.26 -4.75 135.00 130.50 1om5 s PRO 521 Ca 0.78 0.51 -0.25 0.00 0.04 0.00 0.00 61.00 62.09 1om5 s PRO 521 Cb -0.33 -2.26 -0.08 0.00 0.04 0.00 0.00 34.50 31.86 1om5 s PRO 521 CO 0.43 -0.29 0.81 -0.51 0.04 0.00 0.00 177.00 177.48 1om5 s LEU 522 N -4.61 4.52 -0.29 -3.56 1.43 -0.21 -4.90 118.68 111.07 1om5 s LEU 522 Ca 0.52 1.66 0.03 0.00 -1.03 0.00 0.00 54.13 55.31 1om5 s LEU 522 Cb -0.10 -3.48 0.07 0.00 0.03 0.00 0.00 46.19 42.71 1om5 s LEU 522 CO 0.43 0.13 -0.05 -0.22 0.23 0.00 0.00 176.35 176.87 1om5 s LEU 523 N -1.43 3.89 -0.09 1.79 0.20 -1.26 -1.88 118.68 119.90 1om5 s LEU 523 Ca 0.40 -1.66 0.01 0.00 0.69 0.00 0.00 54.13 53.56 1om5 s LEU 523 Cb -0.22 -1.57 -0.03 0.00 -0.43 0.00 0.00 46.19 43.95 1om5 s LEU 523 CO 0.26 -0.26 -0.09 -0.76 -0.29 0.00 0.00 176.35 175.21 1om5 s LEU 524 N 1.03 3.00 -0.19 -0.68 1.43 -0.13 -0.89 118.68 122.26 1om5 s LEU 524 Ca -0.02 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 52.94 1om5 s LEU 524 Cb -0.20 -1.66 0.01 0.00 0.03 0.00 0.00 46.19 44.37 1om5 s LEU 524 CO -0.06 0.29 -0.14 -1.58 0.23 0.00 0.00 176.35 175.10 1om5 s GLN 525 N -0.39 3.17 -0.03 1.70 0.74 0.07 -0.30 119.66 124.63 1om5 s GLN 525 Ca 0.05 -0.74 0.03 0.00 0.05 0.00 0.00 55.36 54.75 1om5 s GLN 525 Cb -0.12 -2.73 -0.03 0.00 1.10 0.00 0.00 33.01 31.22 1om5 s GLN 525 CO 0.02 -0.16 -0.10 0.00 -0.55 0.00 0.00 175.29 174.51 1om5 s ALA 526 N 1.25 2.86 -0.20 1.58 0.00 -1.26 -1.07 121.76 124.92 1om5 s ALA 526 Ca 0.03 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1om5 s ALA 526 Cb -0.14 -1.08 0.00 0.00 0.00 0.00 0.00 23.12 21.91 1om5 s ALA 526 CO -0.07 0.58 0.00 -1.71 0.00 0.00 0.00 175.76 174.56 1om5 n ASN 527 N 1.97 -1.55 0.00 0.00 4.05 -1.24 -0.20 115.26 118.29 1om5 n ASN 527 Ca -0.17 0.44 0.00 0.00 0.45 0.00 0.00 54.58 55.30 1om5 n ASN 527 Cb 0.52 -1.44 0.00 0.00 1.23 0.00 0.00 39.78 40.09 1om5 n ASN 527 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1om5 n GLY 528 N -0.56 0.83 3.91 8.20 0.00 0.24 -4.40 105.19 113.41 1om5 n GLY 528 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1om5 n GLY 528 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1om5 s ASN 529 N -2.94 4.29 0.43 1.61 0.01 0.72 -4.88 114.94 114.18 1om5 s ASN 529 Ca 0.00 0.67 -0.26 0.00 -0.71 0.00 0.00 52.86 52.56 1om5 s ASN 529 Cb 0.00 -1.10 -0.09 0.00 0.41 0.00 0.00 41.25 40.47 1om5 s ASN 529 CO 0.00 -2.03 1.45 -1.81 -1.51 0.00 0.00 177.10 173.20 1om5 s ASP 530 N -4.63 6.02 0.74 -1.22 1.01 -1.26 -4.33 116.67 113.00 1om5 s ASP 530 Ca 0.64 2.98 -0.13 0.00 0.71 0.00 0.00 52.55 56.75 1om5 s ASP 530 Cb -0.10 -2.66 0.05 0.00 1.01 0.00 0.00 42.92 41.22 1om5 s ASP 530 CO 0.49 -1.09 1.13 -2.16 0.21 0.00 0.00 175.17 173.76 1om5 s PRO 531 N -2.34 2.25 0.09 8.23 0.04 -1.26 -4.68 135.00 137.33 1om5 s PRO 531 Ca 0.58 1.42 0.06 0.00 0.04 0.00 0.00 61.00 63.10 1om5 s PRO 531 Cb -0.45 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.18 1om5 s PRO 531 CO 0.59 -1.68 -0.16 -1.21 0.04 0.00 0.00 177.00 174.58 1om5 s GLU 532 N -4.37 0.91 0.25 4.56 2.02 0.58 -4.88 118.70 117.77 1om5 s GLU 532 Ca 0.67 -1.04 -0.10 0.00 0.02 0.00 0.00 54.97 54.52 1om5 s GLU 532 Cb -0.22 -0.96 -0.07 0.00 0.10 0.00 0.00 34.13 32.98 1om5 s GLU 532 CO 0.49 0.21 0.58 -0.51 0.02 0.00 0.00 175.26 176.05 1om5 s LEU 533 N -1.87 4.14 -0.17 1.80 1.43 -1.26 -0.96 118.68 121.78 1om5 s LEU 533 Ca 0.01 0.95 -0.23 0.00 -1.03 0.00 0.00 54.13 53.84 1om5 s LEU 533 Cb -0.09 -3.73 0.06 0.00 0.03 0.00 0.00 46.19 42.46 1om5 s LEU 533 CO 0.03 -0.11 0.60 -0.36 0.23 0.00 0.00 176.35 176.74 1om5 s PHE 534 N -1.87 -0.62 -0.25 0.29 0.40 -0.79 -4.99 117.98 110.15 1om5 s PHE 534 Ca 0.48 1.39 -0.10 0.00 -0.60 0.00 0.00 56.93 58.11 1om5 s PHE 534 Cb -0.11 0.26 -0.04 0.00 0.51 0.00 0.00 43.02 43.63 1om5 s PHE 534 CO 0.22 -0.39 0.14 -1.14 0.70 0.00 0.00 175.22 174.75 1om5 s GLN 535 N -0.17 3.93 0.18 0.44 0.74 -1.26 -1.04 119.66 122.47 1om5 s GLN 535 Ca -0.04 -0.34 -0.31 0.00 0.05 0.00 0.00 55.36 54.73 1om5 s GLN 535 Cb -0.03 -3.51 -0.09 0.00 1.10 0.00 0.00 33.01 30.47 1om5 s GLN 535 CO 0.03 -0.07 1.39 0.42 -0.55 0.00 0.00 175.29 176.51 1om5 s ILE 536 N 1.40 3.06 -0.25 -2.34 1.01 -1.26 -4.88 121.20 117.94 1om5 s ILE 536 Ca 0.07 0.82 -0.38 0.00 0.00 0.00 0.00 60.65 61.16 1om5 s ILE 536 Cb -0.15 -3.53 -0.14 0.00 0.01 0.00 0.00 42.46 38.66 1om5 s ILE 536 CO 0.07 0.10 1.88 -2.65 0.00 0.00 0.00 174.94 174.33 1om5 n PRO 537 N 3.17 1.37 -0.34 2.79 -0.02 -1.26 -4.82 135.00 135.89 1om5 n PRO 537 Ca 0.09 0.48 0.16 0.00 -2.02 0.00 0.00 63.50 62.21 1om5 n PRO 537 Cb 0.42 -2.30 0.37 0.00 -0.02 0.00 0.00 33.50 31.96 1om5 n PRO 537 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1om5 h PRO 538 N 8.81 0.58 0.00 0.52 0.11 -1.94 0.33 132.00 140.42 1om5 h PRO 538 Ca -0.42 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1om5 h PRO 538 Cb 1.31 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1om5 h PRO 538 CO 0.97 0.39 0.00 -0.85 -0.21 0.00 0.00 178.00 178.30 1om5 n GLU 539 N -4.88 0.34 -0.02 1.05 0.00 -1.26 -1.45 120.64 114.42 1om5 n GLU 539 Ca 0.26 0.06 0.07 0.00 0.00 0.00 0.00 57.16 57.54 1om5 n GLU 539 Cb 0.70 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 30.50 1om5 n GLU 539 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1om5 n LEU 540 N -1.10 0.00 -4.44 -1.84 4.32 0.11 -4.82 117.00 109.23 1om5 n LEU 540 Ca 0.09 0.00 -0.43 0.00 -0.02 0.00 0.00 56.01 55.64 1om5 n LEU 540 Cb 0.07 0.06 -0.04 0.00 -1.62 0.00 0.00 43.42 41.89 1om5 n LEU 540 CO 0.08 0.06 0.75 -0.69 -1.22 0.00 0.00 177.39 176.38 1om5 s VAL 541 N -3.16 4.43 0.13 4.08 1.01 -0.53 -4.79 120.40 121.57 1om5 s VAL 541 Ca -0.07 -0.61 -0.30 0.00 0.00 0.00 0.00 61.98 61.00 1om5 s VAL 541 Cb 0.11 -4.68 -0.06 0.00 0.00 0.00 0.00 36.38 31.74 1om5 s VAL 541 CO 0.76 -1.43 1.03 -0.22 0.00 0.00 0.00 175.10 175.24 1om5 s LEU 542 N 3.73 4.48 0.04 3.92 2.96 -1.26 -4.99 118.68 127.55 1om5 s LEU 542 Ca 0.23 1.92 0.02 0.00 -0.22 0.00 0.00 54.13 56.08 1om5 s LEU 542 Cb -0.16 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 42.92 1om5 s LEU 542 CO 0.07 -0.16 -0.08 -1.61 -1.32 0.00 0.00 176.35 173.25 1om5 s GLU 543 N -0.03 0.55 -0.15 1.98 2.02 -1.26 -1.28 118.70 120.53 1om5 s GLU 543 Ca 0.49 -0.67 0.01 0.00 0.02 0.00 0.00 54.97 54.82 1om5 s GLU 543 Cb -0.26 -0.37 0.00 0.00 0.10 0.00 0.00 34.13 33.60 1om5 s GLU 543 CO 0.32 0.08 -0.18 0.08 0.02 0.00 0.00 175.26 175.57 1om5 s VAL 544 N -1.13 2.41 0.16 2.63 1.01 0.58 -4.91 120.40 121.15 1om5 s VAL 544 Ca -0.07 -0.86 -0.28 0.00 0.00 0.00 0.00 61.98 60.78 1om5 s VAL 544 Cb -0.09 -2.00 -0.07 0.00 0.00 0.00 0.00 36.38 34.22 1om5 s VAL 544 CO 0.00 0.53 0.86 -2.16 0.00 0.00 0.00 175.10 174.34 1om5 s PRO 545 N 0.82 4.67 -0.24 2.72 0.04 -1.26 -0.96 135.00 140.80 1om5 s PRO 545 Ca -0.06 1.30 -0.13 0.00 0.04 0.00 0.00 61.00 62.16 1om5 s PRO 545 Cb -0.15 -3.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.04 1om5 s PRO 545 CO -0.01 0.44 0.27 0.42 0.04 0.00 0.00 177.00 178.16 1om5 s ILE 546 N -0.75 5.27 0.25 0.56 -1.09 -0.39 -4.85 121.20 120.20 1om5 s ILE 546 Ca 0.40 0.41 0.04 0.00 -2.23 0.00 0.00 60.65 59.28 1om5 s ILE 546 Cb -0.24 -3.61 -0.05 0.00 -1.58 0.00 0.00 42.46 36.98 1om5 s ILE 546 CO 0.28 0.28 -0.01 0.00 -1.23 0.00 0.00 174.94 174.26 1om5 s ARG 547 N 1.37 1.42 -0.05 2.79 3.03 -1.26 -4.18 118.95 122.07 1om5 s ARG 547 Ca 0.12 -1.73 0.00 0.00 2.03 0.00 0.00 55.73 56.16 1om5 s ARG 547 Cb -0.14 -0.77 -0.03 0.00 -1.03 0.00 0.00 34.95 32.98 1om5 s ARG 547 CO 0.07 -0.08 -0.02 -1.58 -1.13 0.00 0.00 175.30 172.57 1om5 s HIS 548 N -3.31 3.07 0.51 5.89 2.46 -1.25 -4.44 115.29 118.22 1om5 s HIS 548 Ca 0.29 0.11 0.21 0.00 0.47 0.00 0.00 55.06 56.15 1om5 s HIS 548 Cb 0.06 -1.73 1.31 0.00 -0.13 0.00 0.00 32.58 32.09 1om5 s HIS 548 CO 0.10 0.43 2.03 -1.35 -2.47 0.00 0.00 174.74 173.48 1om5 h PRO 549 N 4.91 0.06 0.00 2.88 0.11 -1.93 -3.28 132.00 134.75 1om5 h PRO 549 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1om5 h PRO 549 Cb 1.18 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1om5 h PRO 549 CO 0.55 0.04 -0.69 1.63 -0.21 0.00 0.00 178.00 179.31 1om5 n LYS 550 N -4.43 2.35 -2.89 1.05 5.02 -1.26 -4.95 118.16 113.05 1om5 n LYS 550 Ca 0.07 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.92 1om5 n LYS 550 Cb 0.44 -0.85 -0.04 0.00 -0.02 0.00 0.00 35.03 34.57 1om5 n LYS 550 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1om5 s PHE 551 N -1.55 2.73 -1.55 2.13 2.99 -1.24 -4.87 117.98 116.62 1om5 s PHE 551 Ca 0.00 -0.50 0.26 0.00 0.00 0.00 0.00 56.93 56.69 1om5 s PHE 551 Cb 0.00 -4.20 1.36 0.00 0.00 0.00 0.00 43.02 40.18 1om5 s PHE 551 CO 0.00 -1.55 1.88 -3.47 -0.00 0.00 0.00 175.22 172.08 1om5 n ASP 552 N 7.49 0.00 0.03 1.36 2.03 -1.26 -2.44 116.55 123.76 1om5 n ASP 552 Ca -0.04 -0.24 0.12 0.00 0.52 0.00 0.00 54.79 55.15 1om5 n ASP 552 Cb 0.45 -0.22 0.11 0.00 -0.72 0.00 0.00 41.12 40.74 1om5 n ASP 552 CO 0.00 0.00 0.00 -2.67 -1.92 0.00 0.00 177.20 172.61 1om5 n TRP 553 N -1.22 0.30 -0.06 -0.67 4.27 -1.26 -4.23 117.44 114.57 1om5 n TRP 553 Ca 0.14 0.09 -0.09 0.00 -3.89 0.00 0.00 57.50 53.75 1om5 n TRP 553 Cb 0.18 -0.46 -0.02 0.00 -1.36 0.00 0.00 31.31 29.65 1om5 n TRP 553 CO 0.00 0.00 0.00 0.35 -2.29 0.00 0.00 177.69 175.75 1om5 h PHE 554 N 0.00 0.24 -0.59 -2.67 3.57 -1.84 -1.37 116.94 114.27 1om5 h PHE 554 Ca 0.00 0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.68 1om5 h PHE 554 Cb 0.69 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 1om5 h PHE 554 CO 0.00 0.13 0.43 1.57 -2.23 0.00 0.00 178.31 178.22 1om5 h LYS 555 N 0.27 0.00 0.00 1.11 2.10 -1.74 0.25 116.57 118.56 1om5 h LYS 555 Ca 0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.75 1om5 h LYS 555 Cb 0.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 1om5 h LYS 555 CO -0.06 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.14 1om5 n ASP 556 N -4.33 0.00 0.18 7.07 8.00 -0.52 -2.72 116.55 124.24 1om5 n ASP 556 Ca 0.11 -0.61 0.14 0.00 0.71 0.00 0.00 54.79 55.14 1om5 n ASP 556 Cb 0.67 -0.10 0.49 0.00 -0.02 0.00 0.00 41.12 42.17 1om5 n ASP 556 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1om5 h LEU 557 N 0.00 0.00 0.10 0.64 3.38 -0.51 -3.47 115.31 115.46 1om5 h LEU 557 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1om5 h LEU 557 Cb 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1om5 h LEU 557 CO 0.00 0.00 -0.04 0.61 0.09 0.00 0.00 178.44 179.10 1om5 n GLY 558 N 0.41 0.55 3.87 0.83 0.00 -1.10 -5.03 105.19 104.72 1om5 n GLY 558 Ca 0.03 -0.52 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 1om5 n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1om5 s LEU 559 N -0.46 3.78 -0.13 0.99 1.43 -1.26 -5.01 118.68 118.02 1om5 s LEU 559 Ca 0.00 1.23 -0.32 0.00 -1.03 0.00 0.00 54.13 54.01 1om5 s LEU 559 Cb 0.00 -4.12 0.13 0.00 0.03 0.00 0.00 46.19 42.22 1om5 s LEU 559 CO 0.00 -0.45 1.08 -1.59 0.23 0.00 0.00 176.35 175.62 1om5 s LYS 560 N -3.92 0.51 0.13 1.70 -2.85 -1.26 -1.26 119.74 112.80 1om5 s LYS 560 Ca 0.53 -0.14 -0.05 0.00 -1.00 0.00 0.00 55.97 55.31 1om5 s LYS 560 Cb -0.10 0.24 -0.02 0.00 -2.06 0.00 0.00 37.83 35.88 1om5 s LYS 560 CO 0.32 -0.21 0.16 -0.46 0.10 0.00 0.00 175.35 175.25 1om5 s TRP 561 N -2.44 0.58 0.42 1.78 -0.11 -0.13 -4.91 118.94 114.12 1om5 s TRP 561 Ca 0.06 -0.96 -0.13 0.00 1.22 0.00 0.00 56.10 56.29 1om5 s TRP 561 Cb -0.01 -0.26 -0.07 0.00 -1.50 0.00 0.00 33.47 31.63 1om5 s TRP 561 CO -0.06 -0.60 0.83 1.52 -4.62 0.00 0.00 176.95 174.03 1om5 s TYR 562 N -3.99 3.44 -0.10 5.86 -0.85 -1.26 -0.31 117.35 120.14 1om5 s TYR 562 Ca 0.18 1.22 0.14 0.00 -0.52 0.00 0.00 57.07 58.09 1om5 s TYR 562 Cb 0.06 -2.57 -0.06 0.00 0.38 0.00 0.00 41.96 39.76 1om5 s TYR 562 CO -0.01 -0.14 1.16 0.78 -1.52 0.00 0.00 175.55 175.82 1om5 h GLY 563 N 1.38 0.00 -7.40 5.49 0.00 -1.54 -3.46 103.07 97.54 1om5 h GLY 563 Ca -0.47 0.00 -0.73 0.00 0.00 0.00 0.00 47.33 46.13 1om5 h GLY 563 CO 0.63 0.00 -0.37 -2.27 0.00 0.00 0.00 176.54 174.54 1om5 s LEU 564 N -6.24 5.31 -0.28 3.11 2.96 -1.26 -4.56 118.68 117.72 1om5 s LEU 564 Ca 0.01 -1.07 -0.21 0.00 -0.22 0.00 0.00 54.13 52.64 1om5 s LEU 564 Cb 0.08 -2.19 -0.01 0.00 0.50 0.00 0.00 46.19 44.57 1om5 s LEU 564 CO 0.78 -0.55 0.65 -2.16 -1.32 0.00 0.00 176.35 173.75 1om5 s PRO 565 N 1.71 4.02 -0.34 0.98 0.04 -1.26 -4.70 135.00 135.44 1om5 s PRO 565 Ca 0.05 0.46 -0.01 0.00 0.04 0.00 0.00 61.00 61.54 1om5 s PRO 565 Cb -0.21 -3.69 0.13 0.00 0.04 0.00 0.00 34.50 30.77 1om5 s PRO 565 CO 0.09 -0.50 0.18 0.00 0.04 0.00 0.00 177.00 176.81 1om5 s ALA 566 N 2.59 1.07 0.47 8.56 0.00 -1.26 -2.36 121.76 130.83 1om5 s ALA 566 Ca 0.26 -1.75 -0.24 0.00 0.00 0.00 0.00 51.96 50.23 1om5 s ALA 566 Cb -0.15 -1.59 -0.08 0.00 0.00 0.00 0.00 23.12 21.30 1om5 s ALA 566 CO 0.10 -1.95 1.35 0.28 0.00 0.00 0.00 175.76 175.54 1om5 n VAL 567 N 4.35 3.02 -1.05 0.00 0.31 -0.39 -1.34 118.33 123.24 1om5 n VAL 567 Ca 0.06 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 1om5 n VAL 567 Cb 0.38 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.62 1om5 n VAL 567 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1om5 n SER 568 N -0.30 0.00 -0.68 4.52 3.41 0.13 -0.46 113.62 120.23 1om5 n SER 568 Ca 0.07 -1.00 0.07 0.00 -0.26 0.00 0.00 58.87 57.75 1om5 n SER 568 Cb 0.42 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.50 1om5 n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1om5 n ASN 569 N 0.00 2.73 -4.95 4.04 0.23 -1.20 -4.46 115.26 111.65 1om5 n ASN 569 Ca 0.00 -1.83 -0.24 0.00 -0.53 0.00 0.00 54.58 51.98 1om5 n ASN 569 Cb 0.41 -0.17 0.04 0.00 -2.08 0.00 0.00 39.78 37.98 1om5 n ASN 569 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 1om5 s MET 570 N -1.04 2.60 -0.11 -3.83 -1.94 -1.26 -4.38 119.30 109.33 1om5 s MET 570 Ca 0.23 -0.44 0.01 0.00 -1.71 0.00 0.00 55.69 53.78 1om5 s MET 570 Cb 0.13 -2.37 -0.02 0.00 2.01 0.00 0.00 34.83 34.58 1om5 s MET 570 CO 0.18 -0.79 -0.14 -1.17 -0.01 0.00 0.00 175.02 173.10 1om5 s LEU 571 N -4.91 2.71 -0.29 -0.03 2.96 0.83 -4.37 118.68 115.58 1om5 s LEU 571 Ca 0.56 -0.29 -0.10 0.00 -0.22 0.00 0.00 54.13 54.08 1om5 s LEU 571 Cb -0.10 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 1om5 s LEU 571 CO 0.41 0.22 0.16 -0.22 -1.32 0.00 0.00 176.35 175.61 1om5 s LEU 572 N 0.03 4.03 -0.26 -0.68 2.96 -0.84 0.06 118.68 123.98 1om5 s LEU 572 Ca -0.04 -0.28 -0.08 0.00 -0.22 0.00 0.00 54.13 53.51 1om5 s LEU 572 Cb -0.14 -2.05 -0.02 0.00 0.50 0.00 0.00 46.19 44.48 1om5 s LEU 572 CO 0.04 -0.13 0.08 -0.70 -1.32 0.00 0.00 176.35 174.33 1om5 s GLU 573 N 1.68 3.55 -0.13 1.98 2.12 0.12 -0.82 118.70 127.19 1om5 s GLU 573 Ca 0.06 -0.55 -0.00 0.00 0.36 0.00 0.00 54.97 54.84 1om5 s GLU 573 Cb -0.16 -3.36 0.03 0.00 0.26 0.00 0.00 34.13 30.90 1om5 s GLU 573 CO 0.08 -0.25 -0.09 0.42 -0.54 0.00 0.00 175.26 174.89 1om5 s ILE 574 N 1.60 1.19 -1.59 -3.70 1.01 -0.24 -1.88 121.20 117.59 1om5 s ILE 574 Ca 0.06 -0.46 -0.14 0.00 0.00 0.00 0.00 60.65 60.11 1om5 s ILE 574 Cb -0.16 -1.22 0.11 0.00 0.01 0.00 0.00 42.46 41.21 1om5 s ILE 574 CO 0.04 0.34 0.82 0.61 0.00 0.00 0.00 174.94 176.75 1om5 n GLY 575 N 4.88 -0.43 1.76 6.18 0.00 -1.26 -0.83 105.19 115.48 1om5 n GLY 575 Ca -0.13 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1om5 n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1om5 n GLY 576 N -1.58 2.86 3.76 -0.02 0.00 -1.26 -3.54 105.19 105.40 1om5 n GLY 576 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1om5 n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1om5 s LEU 577 N 0.00 4.51 -0.19 0.99 1.43 -0.01 -5.02 118.68 120.38 1om5 s LEU 577 Ca 0.00 2.35 -0.03 0.00 -1.03 0.00 0.00 54.13 55.42 1om5 s LEU 577 Cb 0.00 -3.63 -0.01 0.00 0.03 0.00 0.00 46.19 42.58 1om5 s LEU 577 CO 0.00 -0.27 -0.06 -1.61 0.23 0.00 0.00 176.35 174.64 1om5 s GLU 578 N -1.28 3.43 -0.51 1.70 2.02 -1.26 -1.08 118.70 121.71 1om5 s GLU 578 Ca 0.47 -0.62 -0.04 0.00 0.02 0.00 0.00 54.97 54.80 1om5 s GLU 578 Cb -0.34 -2.92 0.13 0.00 0.10 0.00 0.00 34.13 31.11 1om5 s GLU 578 CO 0.43 -0.04 0.33 -0.06 0.02 0.00 0.00 175.26 175.93 1om5 s PHE 579 N 1.06 3.50 0.56 1.61 0.40 -0.00 -0.43 117.98 124.67 1om5 s PHE 579 Ca 0.01 -2.49 0.23 0.00 -0.60 0.00 0.00 56.93 54.08 1om5 s PHE 579 Cb -0.15 -3.25 1.56 0.00 0.51 0.00 0.00 43.02 41.69 1om5 s PHE 579 CO -0.00 -0.92 2.20 0.66 0.70 0.00 0.00 175.22 177.86 1om5 h SER 580 N 7.64 0.00 -3.71 1.36 4.64 -1.80 -2.22 113.55 119.46 1om5 h SER 580 Ca -0.08 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.60 1om5 h SER 580 Cb 1.01 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 62.72 1om5 h SER 580 CO 0.72 0.00 -0.79 0.00 -0.87 0.00 0.00 176.83 175.89 1om5 s ALA 581 N -4.83 2.18 -0.36 5.18 0.00 -1.06 -4.66 121.76 118.20 1om5 s ALA 581 Ca -0.05 -1.49 0.13 0.00 0.00 0.00 0.00 51.96 50.55 1om5 s ALA 581 Cb 0.16 -1.48 0.41 0.00 0.00 0.00 0.00 23.12 22.21 1om5 s ALA 581 CO 0.61 -1.18 1.07 0.00 0.00 0.00 0.00 175.76 176.26 1om5 n PRO 583 N -0.16 0.49 -3.80 0.00 -0.04 -1.22 -4.59 135.00 125.67 1om5 n PRO 583 Ca 0.07 0.17 -0.13 0.00 -0.04 0.00 0.00 63.50 63.57 1om5 n PRO 583 Cb 0.80 -1.45 -0.14 0.00 -0.04 0.00 0.00 33.50 32.67 1om5 n PRO 583 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1om5 s PHE 584 N -0.60 -0.07 0.21 0.54 -0.12 0.39 -1.75 117.98 116.58 1om5 s PHE 584 Ca 0.71 0.24 0.09 0.00 -0.05 0.00 0.00 56.93 57.92 1om5 s PHE 584 Cb -0.95 -0.08 -0.05 0.00 -0.63 0.00 0.00 43.02 41.32 1om5 s PHE 584 CO 0.56 -0.09 -0.17 -1.54 -0.05 0.00 0.00 175.22 173.93 1om5 s SER 585 N 0.64 2.88 0.00 1.98 1.04 -0.18 -1.26 113.70 118.80 1om5 s SER 585 Ca -0.05 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.40 1om5 s SER 585 Cb -0.07 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.86 1om5 s SER 585 CO -0.02 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.73 1om5 n GLY 586 N -0.25 3.50 3.63 7.32 0.00 -0.99 -2.13 105.19 116.26 1om5 n GLY 586 Ca -0.09 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 1om5 n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1om5 s TRP 587 N 2.53 -0.80 0.68 1.61 -2.14 -1.26 -4.55 118.94 115.01 1om5 s TRP 587 Ca 0.00 1.90 -0.17 0.00 2.66 0.00 0.00 56.10 60.49 1om5 s TRP 587 Cb 0.00 0.31 -0.00 0.00 -3.10 0.00 0.00 33.47 30.68 1om5 s TRP 587 CO 0.00 -0.38 1.12 0.66 -2.66 0.00 0.00 176.95 175.69 1om5 n TYR 588 N 2.83 1.28 -4.33 1.66 4.02 -1.26 -4.86 117.16 116.49 1om5 n TYR 588 Ca -0.15 0.41 -0.34 0.00 -0.01 0.00 0.00 57.90 57.82 1om5 n TYR 588 Cb 0.55 -2.17 -0.12 0.00 -0.02 0.00 0.00 39.34 37.58 1om5 n TYR 588 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 176.86 177.26 1om5 s MET 589 N -3.31 3.71 0.23 -0.72 -2.45 -1.26 -1.87 119.30 113.63 1om5 s MET 589 Ca 0.78 -0.50 -0.14 0.00 -1.25 0.00 0.00 55.69 54.58 1om5 s MET 589 Cb -0.37 -2.96 0.28 0.00 1.25 0.00 0.00 34.83 33.03 1om5 s MET 589 CO 0.45 0.23 1.46 0.41 1.05 0.00 0.00 175.02 178.62 1om5 n GLY 590 N 3.58 -1.85 0.34 2.11 0.00 0.40 -1.36 105.19 108.41 1om5 n GLY 590 Ca -0.17 1.04 0.18 0.00 0.00 0.00 0.00 46.02 47.07 1om5 n GLY 590 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1om5 h THR 591 N 0.00 0.02 -0.01 2.61 1.35 -1.94 0.15 112.91 115.09 1om5 h THR 591 Ca 0.36 0.00 -0.15 0.00 -0.55 0.00 0.00 66.41 66.07 1om5 h THR 591 Cb 0.59 0.77 -0.02 0.00 -1.73 0.00 0.00 68.15 67.76 1om5 h THR 591 CO -0.94 0.00 -0.68 -0.08 -0.25 0.00 0.00 175.52 173.57 1om5 h GLU 592 N 0.00 0.06 0.00 4.72 4.57 -1.63 -1.11 114.58 121.18 1om5 h GLU 592 Ca 0.01 -0.05 -0.15 0.00 -1.18 0.00 0.00 59.36 57.99 1om5 h GLU 592 Cb 0.47 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.05 1om5 h GLU 592 CO -0.00 0.71 -1.04 -0.89 -1.18 0.00 0.00 179.01 176.61 1om5 n ILE 593 N -3.76 1.49 0.01 2.32 5.41 -0.48 -1.58 119.36 122.78 1om5 n ILE 593 Ca -0.01 0.05 0.06 0.00 1.00 0.00 0.00 62.75 63.85 1om5 n ILE 593 Cb 0.66 -2.18 0.47 0.00 -0.71 0.00 0.00 39.64 37.89 1om5 n ILE 593 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1om5 h GLY 594 N -1.00 0.50 0.00 7.39 0.00 -0.85 -1.22 103.07 107.89 1om5 h GLY 594 Ca -0.23 -0.17 -0.15 0.00 0.00 0.00 0.00 47.33 46.78 1om5 h GLY 594 CO -0.14 0.16 -1.57 3.33 0.00 0.00 0.00 176.54 178.32 1om5 n VAL 595 N -4.48 0.57 -0.06 4.60 0.24 -0.45 -4.36 118.33 114.40 1om5 n VAL 595 Ca 0.04 -0.22 -0.02 0.00 -2.04 0.00 0.00 64.34 62.10 1om5 n VAL 595 Cb 0.14 -0.85 -0.01 0.00 -1.47 0.00 0.00 33.84 31.65 1om5 n VAL 595 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1om5 h ARG 596 N 0.00 0.00 -0.59 7.34 2.47 -1.53 -2.61 114.38 119.46 1om5 h ARG 596 Ca -0.22 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.43 1om5 h ARG 596 Cb 1.35 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.64 1om5 h ARG 596 CO -0.03 0.03 0.10 -0.44 0.56 0.00 0.00 179.97 180.19 1om5 h ASP 597 N -1.00 0.90 0.34 7.04 3.32 -1.23 -1.88 116.42 123.91 1om5 h ASP 597 Ca -0.00 -0.19 -0.32 0.00 0.02 0.00 0.00 57.03 56.53 1om5 h ASP 597 Cb 0.16 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 1om5 h ASP 597 CO -0.00 0.90 -1.80 1.88 -1.72 0.00 0.00 179.24 178.50 1om5 h TYR 598 N 0.90 0.25 0.00 4.55 0.99 -1.43 -2.63 116.97 119.60 1om5 h TYR 598 Ca 0.18 -0.18 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1om5 h TYR 598 Cb 0.39 -0.01 0.00 0.00 1.00 0.00 0.00 36.73 38.11 1om5 h TYR 598 CO 0.02 1.37 -0.88 0.00 -0.00 0.00 0.00 178.16 178.67 1om5 n ASP 600 N -1.49 2.48 0.10 0.00 9.92 -0.71 -4.68 116.55 122.17 1om5 n ASP 600 Ca 0.01 1.04 0.05 0.00 -0.53 0.00 0.00 54.79 55.36 1om5 n ASP 600 Cb 0.23 -1.52 0.50 0.00 -0.64 0.00 0.00 41.12 39.69 1om5 n ASP 600 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 1om5 h ASN 601 N 1.74 0.29 -0.28 -2.24 2.35 -1.94 -2.33 115.58 113.17 1om5 h ASN 601 Ca -0.49 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.24 1om5 h ASN 601 Cb 1.30 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 39.60 1om5 h ASN 601 CO 0.58 0.22 0.01 -1.20 -1.65 0.00 0.00 177.43 175.39 1om5 n SER 602 N -4.49 3.31 0.00 5.81 7.64 -1.26 -4.56 113.62 120.07 1om5 n SER 602 Ca 0.01 -2.46 0.00 0.00 1.01 0.00 0.00 58.87 57.43 1om5 n SER 602 Cb 0.08 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 1om5 n SER 602 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1om5 n ARG 603 N 0.29 1.40 0.00 1.43 5.12 -0.88 -4.21 116.66 119.81 1om5 n ARG 603 Ca 0.14 0.00 0.08 0.00 -1.93 0.00 0.00 57.85 56.14 1om5 n ARG 603 Cb 0.72 0.00 0.38 0.00 -1.16 0.00 0.00 32.46 32.40 1om5 n ARG 603 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1om5 n TYR 604 N 0.00 0.00 -3.21 -1.55 4.02 -0.99 -4.62 117.16 110.81 1om5 n TYR 604 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.76 1om5 n TYR 604 Cb 0.00 -0.46 0.00 0.00 -0.02 0.00 0.00 39.34 38.86 1om5 n TYR 604 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1om5 n ASN 605 N -1.46 -2.35 -1.19 7.72 5.15 -0.74 -4.86 115.26 117.53 1om5 n ASN 605 Ca 0.05 -0.50 0.12 0.00 -0.60 0.00 0.00 54.58 53.64 1om5 n ASN 605 Cb 0.19 -0.79 0.26 0.00 -0.53 0.00 0.00 39.78 38.91 1om5 n ASN 605 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1om5 n ILE 606 N -1.67 0.66 0.17 -1.44 -5.35 -0.05 -4.61 119.36 107.06 1om5 n ILE 606 Ca -0.16 -0.80 -0.14 0.00 -0.27 0.00 0.00 62.75 61.38 1om5 n ILE 606 Cb 0.34 0.75 -0.07 0.00 -1.74 0.00 0.00 39.64 38.92 1om5 n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 1om5 h LEU 607 N 4.23 -0.54 -0.56 7.28 3.38 -1.89 -1.85 115.31 125.36 1om5 h LEU 607 Ca 0.00 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.12 1om5 h LEU 607 Cb 0.95 0.18 -0.08 0.00 0.09 0.00 0.00 40.66 41.79 1om5 h LEU 607 CO 0.00 -0.31 0.09 -0.33 0.09 0.00 0.00 178.44 177.98 1om5 h GLU 608 N -0.47 0.21 0.00 1.13 5.08 -1.99 0.17 114.58 118.71 1om5 h GLU 608 Ca -0.01 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1om5 h GLU 608 Cb 0.42 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1om5 h GLU 608 CO -0.02 0.14 -0.15 1.49 -1.00 0.00 0.00 179.01 179.47 1om5 h GLU 609 N 0.22 0.00 0.00 2.33 4.81 -1.86 0.11 114.58 120.20 1om5 h GLU 609 Ca 0.29 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.49 1om5 h GLU 609 Cb 0.42 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 1om5 h GLU 609 CO -0.39 0.15 -0.74 0.28 -0.73 0.00 0.00 179.01 177.59 1om5 h VAL 610 N 0.00 0.12 0.05 0.32 2.07 -0.33 -3.17 116.25 115.31 1om5 h VAL 610 Ca -0.00 -1.20 -0.13 0.00 0.82 0.00 0.00 66.70 66.19 1om5 h VAL 610 Cb 0.70 1.76 -0.00 0.00 -1.52 0.00 0.00 31.29 32.23 1om5 h VAL 610 CO 0.02 0.07 -0.64 0.00 0.02 0.00 0.00 177.57 177.04 1om5 h ALA 611 N 1.90 0.07 -0.69 1.67 0.00 -0.31 -2.96 119.26 118.93 1om5 h ALA 611 Ca -0.02 -0.78 0.13 0.00 0.00 0.00 0.00 54.91 54.25 1om5 h ALA 611 Cb 1.09 0.25 -0.09 0.00 0.00 0.00 0.00 17.79 19.04 1om5 h ALA 611 CO 0.01 0.35 0.21 0.87 0.00 0.00 0.00 179.25 180.68 1om5 h LYS 612 N -0.77 0.33 0.00 0.00 1.57 -0.90 0.17 116.57 116.96 1om5 h LYS 612 Ca -0.15 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1om5 h LYS 612 Cb 1.31 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1om5 h LYS 612 CO -0.00 0.22 0.00 0.87 -0.57 0.00 0.00 179.45 179.96 1om5 h LYS 613 N 0.34 0.00 -0.00 3.15 1.57 -1.68 -2.09 116.57 117.85 1om5 h LYS 613 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1om5 h LYS 613 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1om5 h LYS 613 CO -0.42 0.00 -0.38 -1.33 -0.57 0.00 0.00 179.45 176.75 1om5 n MET 614 N -2.53 0.41 -3.31 3.15 2.81 0.35 -4.96 117.12 113.04 1om5 n MET 614 Ca 0.03 -0.24 -0.10 0.00 -1.81 0.00 0.00 57.70 55.58 1om5 n MET 614 Cb 0.36 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.39 1om5 n MET 614 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1om5 n ASP 615 N -1.09 -6.77 -4.71 7.83 2.03 0.11 -5.00 116.55 108.95 1om5 n ASP 615 Ca 0.09 -0.44 -0.27 0.00 0.52 0.00 0.00 54.79 54.69 1om5 n ASP 615 Cb 0.34 -4.31 -0.07 0.00 -0.72 0.00 0.00 41.12 36.36 1om5 n ASP 615 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1om5 s LEU 616 N -4.64 3.51 -1.05 -2.67 1.43 -1.11 -5.02 118.68 109.12 1om5 s LEU 616 Ca 0.11 -0.26 -0.23 0.00 -1.03 0.00 0.00 54.13 52.71 1om5 s LEU 616 Cb -0.03 -2.16 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 1om5 s LEU 616 CO 0.79 0.10 1.86 -0.62 0.23 0.00 0.00 176.35 178.72 1om5 s ASP 617 N -2.85 5.42 -0.03 2.29 3.68 -1.26 -4.75 116.67 119.17 1om5 s ASP 617 Ca 0.28 -1.28 0.06 0.00 2.13 0.00 0.00 52.55 53.74 1om5 s ASP 617 Cb -0.10 -2.57 0.23 0.00 -1.45 0.00 0.00 42.92 39.03 1om5 s ASP 617 CO 0.20 -2.57 1.04 0.23 0.13 0.00 0.00 175.17 174.20 1om5 n MET 618 N 8.62 1.85 0.15 4.34 2.81 -1.26 -4.12 117.12 129.51 1om5 n MET 618 Ca 0.42 -0.90 -0.12 0.00 -1.81 0.00 0.00 57.70 55.28 1om5 n MET 618 Cb 0.47 -1.44 -0.07 0.00 -0.71 0.00 0.00 33.22 31.47 1om5 n MET 618 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1om5 h ARG 619 N 1.31 -0.41 -5.28 0.03 3.08 -2.04 -3.44 114.38 107.62 1om5 h ARG 619 Ca 0.00 0.03 -0.68 0.00 0.07 0.00 0.00 59.98 59.40 1om5 h ARG 619 Cb 0.61 0.09 -0.33 0.00 0.08 0.00 0.00 29.97 30.42 1om5 h ARG 619 CO 0.07 -0.08 -0.88 -1.59 -1.07 0.00 0.00 179.97 176.42 1om5 s LYS 620 N -4.18 3.03 0.56 0.04 -2.85 -1.26 -5.02 119.74 110.06 1om5 s LYS 620 Ca -0.13 -0.87 0.26 0.00 -1.00 0.00 0.00 55.97 54.24 1om5 s LYS 620 Cb 0.01 -2.34 1.50 0.00 -2.06 0.00 0.00 37.83 34.94 1om5 s LYS 620 CO 0.48 0.11 2.03 1.79 0.10 0.00 0.00 175.35 179.86 1om5 h THR 621 N 5.75 0.59 0.00 3.79 1.35 -1.87 -1.93 112.91 120.60 1om5 h THR 621 Ca -0.24 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1om5 h THR 621 Cb 1.22 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1om5 h THR 621 CO 0.50 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.23 1om5 n SER 622 N -4.06 0.00 0.00 5.36 3.41 -1.26 0.85 113.62 117.92 1om5 n SER 622 Ca 0.06 -0.27 0.11 0.00 -0.26 0.00 0.00 58.87 58.50 1om5 n SER 622 Cb 0.47 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.39 1om5 n SER 622 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1om5 n SER 623 N -0.65 0.75 -3.59 4.04 3.41 -0.73 -4.97 113.62 111.88 1om5 n SER 623 Ca 0.01 -0.63 -0.22 0.00 -0.26 0.00 0.00 58.87 57.77 1om5 n SER 623 Cb 0.01 0.93 0.07 0.00 -0.26 0.00 0.00 64.21 64.95 1om5 n SER 623 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1om5 n LEU 624 N -1.66 -3.49 -0.11 1.04 4.77 0.25 -4.89 117.00 112.92 1om5 n LEU 624 Ca 0.03 -0.63 -0.05 0.00 -0.03 0.00 0.00 56.01 55.34 1om5 n LEU 624 Cb 0.37 -2.97 0.16 0.00 -2.33 0.00 0.00 43.42 38.65 1om5 n LEU 624 CO 0.41 0.51 0.87 4.11 -1.33 0.00 0.00 177.39 181.96 1om5 h TRP 625 N -2.27 0.84 -0.15 -1.77 5.08 -1.84 -1.62 115.95 114.22 1om5 h TRP 625 Ca -0.58 -0.12 -0.01 0.00 1.08 0.00 0.00 58.89 59.25 1om5 h TRP 625 Cb 1.36 -0.23 -0.01 0.00 -3.00 0.00 0.00 29.16 27.28 1om5 h TRP 625 CO 0.48 0.79 0.05 0.87 -1.28 0.00 0.00 178.44 179.35 1om5 h LYS 626 N 0.73 0.23 -0.57 0.12 1.57 -1.90 -0.92 116.57 115.84 1om5 h LYS 626 Ca 0.14 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1om5 h LYS 626 Cb 0.47 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 1om5 h LYS 626 CO 0.02 0.36 0.37 -0.44 -0.57 0.00 0.00 179.45 179.19 1om5 h ASP 627 N 0.06 0.62 0.01 0.86 5.19 -1.90 -1.44 116.42 119.82 1om5 h ASP 627 Ca 0.05 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 1om5 h ASP 627 Cb 0.23 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 39.59 1om5 h ASP 627 CO -0.00 0.45 -0.01 1.56 -3.12 0.00 0.00 179.24 178.11 1om5 h GLN 628 N 0.74 -0.02 -0.82 3.56 4.20 -1.15 -2.75 115.11 118.87 1om5 h GLN 628 Ca 0.21 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.95 1om5 h GLN 628 Cb -0.05 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.69 1om5 h GLN 628 CO -0.06 -0.02 0.53 0.00 -0.67 0.00 0.00 178.83 178.62 1om5 h ALA 629 N 0.97 1.05 -0.60 3.87 0.00 -0.97 -2.83 119.26 120.74 1om5 h ALA 629 Ca 0.00 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.95 1om5 h ALA 629 Cb 0.02 -0.31 -0.07 0.00 0.00 0.00 0.00 17.79 17.44 1om5 h ALA 629 CO -0.01 0.40 0.25 1.25 0.00 0.00 0.00 179.25 181.15 1om5 h LEU 630 N 1.07 0.29 -0.09 0.00 5.85 -1.01 -0.08 115.31 121.35 1om5 h LEU 630 Ca 0.31 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 59.09 1om5 h LEU 630 Cb -0.07 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 1om5 h LEU 630 CO -0.09 0.18 0.04 0.58 -0.34 0.00 0.00 178.44 178.82 1om5 h VAL 631 N 0.46 1.10 -0.15 1.05 2.07 -1.26 -0.65 116.25 118.87 1om5 h VAL 631 Ca 0.30 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.57 1om5 h VAL 631 Cb 0.33 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1om5 h VAL 631 CO -0.27 0.08 -0.03 -0.33 0.02 0.00 0.00 177.57 177.05 1om5 h GLU 632 N 0.03 0.01 -0.94 1.57 4.39 -1.28 0.36 114.58 118.72 1om5 h GLU 632 Ca 0.03 -0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.84 1om5 h GLU 632 Cb 0.10 -0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.67 1om5 h GLU 632 CO -0.00 0.01 0.60 0.82 -1.16 0.00 0.00 179.01 179.28 1om5 h ILE 633 N 0.01 0.93 0.00 3.13 2.04 -0.84 0.17 117.51 122.96 1om5 h ILE 633 Ca 0.07 -0.31 -0.12 0.00 1.00 0.00 0.00 64.86 65.50 1om5 h ILE 633 Cb 0.10 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.11 1om5 h ILE 633 CO -0.14 0.17 -0.56 0.78 0.00 0.00 0.00 178.15 178.39 1om5 h ASN 634 N 0.91 0.00 -0.24 1.72 4.21 -0.31 -1.94 115.58 119.93 1om5 h ASN 634 Ca 0.45 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.95 1om5 h ASN 634 Cb 0.48 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.67 1om5 h ASN 634 CO -0.21 0.56 0.11 0.40 -1.29 0.00 0.00 177.43 176.99 1om5 h ILE 635 N 0.00 1.16 -0.33 2.81 1.08 0.23 -2.79 117.51 119.67 1om5 h ILE 635 Ca -0.01 -0.46 -0.03 0.00 -0.39 0.00 0.00 64.86 63.97 1om5 h ILE 635 Cb 1.25 1.02 -0.01 0.00 -3.07 0.00 0.00 36.82 36.01 1om5 h ILE 635 CO 0.07 0.16 0.08 0.00 -0.69 0.00 0.00 178.15 177.77 1om5 h ALA 636 N 0.96 0.44 -0.18 1.87 0.00 -0.65 -1.07 119.26 120.62 1om5 h ALA 636 Ca 0.08 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1om5 h ALA 636 Cb 0.15 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1om5 h ALA 636 CO -0.01 0.10 0.04 0.28 0.00 0.00 0.00 179.25 179.67 1om5 h VAL 637 N 0.38 0.93 -0.22 0.00 2.07 -1.33 -0.47 116.25 117.61 1om5 h VAL 637 Ca 0.10 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 1om5 h VAL 637 Cb 0.29 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1om5 h VAL 637 CO 0.00 0.02 0.09 -0.07 0.02 0.00 0.00 177.57 177.64 1om5 h LEU 638 N 0.12 0.30 -0.67 2.57 3.38 -1.44 -2.67 115.31 116.90 1om5 h LEU 638 Ca 0.08 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.93 1om5 h LEU 638 Cb 0.07 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1om5 h LEU 638 CO -0.10 0.37 0.42 0.22 0.09 0.00 0.00 178.44 179.43 1om5 h TYR 639 N 0.21 0.78 -0.72 1.13 3.20 -1.03 -1.68 116.97 118.86 1om5 h TYR 639 Ca 0.07 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.92 1om5 h TYR 639 Cb 0.16 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 1om5 h TYR 639 CO -0.01 0.44 0.26 0.77 -1.64 0.00 0.00 178.16 177.98 1om5 h SER 640 N 0.81 1.00 -0.22 -2.11 0.02 -0.97 -1.36 113.55 110.72 1om5 h SER 640 Ca 0.27 -0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 60.99 1om5 h SER 640 Cb 0.02 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.29 1om5 h SER 640 CO -0.11 0.90 -0.15 -0.26 -1.14 0.00 0.00 176.83 176.08 1om5 h PHE 641 N 1.05 0.57 -0.44 3.45 -1.00 -1.20 -2.63 116.94 116.74 1om5 h PHE 641 Ca 0.24 -0.15 0.01 0.00 2.81 0.00 0.00 57.97 60.87 1om5 h PHE 641 Cb 0.24 -0.13 -0.02 0.00 3.61 0.00 0.00 35.95 39.64 1om5 h PHE 641 CO 0.02 0.79 0.28 1.96 -1.61 0.00 0.00 178.31 179.76 1om5 h GLN 642 N 0.18 0.55 -0.39 1.51 4.20 -1.18 -0.85 115.11 119.14 1om5 h GLN 642 Ca 0.04 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1om5 h GLN 642 Cb 0.67 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 1om5 h GLN 642 CO 0.04 0.37 0.24 0.77 -0.67 0.00 0.00 178.83 179.58 1om5 h SER 643 N 0.57 0.45 -0.47 1.46 0.02 -1.21 -1.50 113.55 112.87 1om5 h SER 643 Ca 0.17 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1om5 h SER 643 Cb -0.04 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.39 1om5 h SER 643 CO -0.05 0.34 0.00 0.47 -1.14 0.00 0.00 176.83 176.44 1om5 n ASP 644 N -4.47 2.82 -3.72 3.07 9.92 -0.99 -4.95 116.55 118.23 1om5 n ASP 644 Ca 0.03 -1.96 -0.25 0.00 -0.53 0.00 0.00 54.79 52.08 1om5 n ASP 644 Cb 0.07 -0.31 0.03 0.00 -0.64 0.00 0.00 41.12 40.26 1om5 n ASP 644 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1om5 n LYS 645 N 1.05 -3.25 -4.74 -1.24 5.02 -0.57 -4.96 118.16 109.47 1om5 n LYS 645 Ca 0.18 0.54 -0.33 0.00 -2.02 0.00 0.00 58.31 56.68 1om5 n LYS 645 Cb 0.46 -4.76 -0.16 0.00 -0.02 0.00 0.00 35.03 30.55 1om5 n LYS 645 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1om5 s VAL 646 N -3.66 2.38 0.64 -0.18 1.01 -0.41 -4.23 120.40 115.96 1om5 s VAL 646 Ca 0.17 -0.88 -0.17 0.00 0.00 0.00 0.00 61.98 61.10 1om5 s VAL 646 Cb -0.05 -1.97 -0.06 0.00 0.00 0.00 0.00 36.38 34.29 1om5 s VAL 646 CO 0.84 0.54 0.58 0.41 0.00 0.00 0.00 175.10 177.46 1om5 n THR 647 N 3.90 2.26 0.00 3.92 -1.04 0.12 -4.42 114.28 119.03 1om5 n THR 647 Ca -0.19 -0.46 0.00 0.00 -2.04 0.00 0.00 64.05 61.36 1om5 n THR 647 Cb 0.52 -0.76 0.00 0.00 -1.82 0.00 0.00 70.33 68.27 1om5 n THR 647 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1om5 n ILE 648 N -1.99 0.00 -4.26 12.58 3.06 -1.26 -4.73 119.36 122.75 1om5 n ILE 648 Ca 0.11 0.00 -0.17 0.00 -2.50 0.00 0.00 62.75 60.19 1om5 n ILE 648 Cb 0.49 0.00 -0.14 0.00 0.54 0.00 0.00 39.64 40.52 1om5 n ILE 648 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1om5 s VAL 649 N -2.00 0.63 0.50 9.51 0.11 -0.78 -5.00 120.40 123.36 1om5 s VAL 649 Ca 0.00 -0.47 -0.05 0.00 -2.93 0.00 0.00 61.98 58.53 1om5 s VAL 649 Cb 0.00 -0.56 -0.03 0.00 -1.53 0.00 0.00 36.38 34.26 1om5 s VAL 649 CO 0.00 0.09 0.80 1.51 -3.33 0.00 0.00 175.10 174.17 1om5 s ASP 650 N -0.43 6.17 0.64 3.54 -4.77 -1.26 -0.45 116.67 120.11 1om5 s ASP 650 Ca 0.01 0.90 0.41 0.00 -3.30 0.00 0.00 52.55 50.57 1om5 s ASP 650 Cb -0.04 -2.17 2.15 0.00 -1.09 0.00 0.00 42.92 41.77 1om5 s ASP 650 CO -0.00 -0.64 2.28 1.12 0.70 0.00 0.00 175.17 178.62 1om5 h HIS 651 N 0.17 0.00 0.02 2.11 2.07 -1.98 -0.75 115.15 116.79 1om5 h HIS 651 Ca -0.47 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.00 1om5 h HIS 651 Cb 1.21 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.20 1om5 h HIS 651 CO 0.57 0.00 -0.20 0.45 -3.07 0.00 0.00 177.93 175.68 1om5 h HIS 652 N 0.00 0.17 0.42 6.12 3.86 -1.96 -2.74 115.15 121.02 1om5 h HIS 652 Ca -0.00 -0.10 -0.02 0.00 -1.16 0.00 0.00 60.37 59.08 1om5 h HIS 652 Cb 0.13 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.59 1om5 h HIS 652 CO 0.00 0.97 -0.20 0.77 0.86 0.00 0.00 177.93 180.33 1om5 h SER 653 N -0.68 -0.48 -0.96 2.45 0.02 -1.88 -1.73 113.55 110.30 1om5 h SER 653 Ca -0.03 -0.05 0.10 0.00 -0.84 0.00 0.00 61.79 60.97 1om5 h SER 653 Cb 1.04 0.12 -0.07 0.00 0.14 0.00 0.00 62.40 63.63 1om5 h SER 653 CO 0.04 -0.25 0.61 0.00 -1.14 0.00 0.00 176.83 176.09 1om5 h ALA 654 N -0.16 1.55 0.02 3.77 0.00 -1.28 -0.80 119.26 122.37 1om5 h ALA 654 Ca -0.06 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.64 1om5 h ALA 654 Cb 0.50 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1om5 h ALA 654 CO 0.10 0.25 -0.93 1.79 0.00 0.00 0.00 179.25 180.46 1om5 h THR 655 N 0.98 1.50 -0.13 0.00 1.35 -1.43 -1.64 112.91 113.55 1om5 h THR 655 Ca 0.45 -2.70 -0.03 0.00 -0.55 0.00 0.00 66.41 63.57 1om5 h THR 655 Cb 0.39 2.54 -0.00 0.00 -1.73 0.00 0.00 68.15 69.34 1om5 h THR 655 CO -0.21 0.79 -0.05 -0.08 -0.25 0.00 0.00 175.52 175.72 1om5 h GLU 656 N 0.11 0.26 -0.65 4.72 4.81 -0.85 -2.07 114.58 120.91 1om5 h GLU 656 Ca -0.05 -0.11 0.07 0.00 -0.13 0.00 0.00 59.36 59.13 1om5 h GLU 656 Cb 1.58 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.89 1om5 h GLU 656 CO 0.14 0.58 0.34 0.77 -0.73 0.00 0.00 179.01 180.12 1om5 h SER 657 N -0.08 0.48 -0.94 1.04 0.02 -1.18 -2.20 113.55 110.69 1om5 h SER 657 Ca 0.03 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1om5 h SER 657 Cb 0.50 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.94 1om5 h SER 657 CO 0.02 0.30 0.61 0.15 -1.14 0.00 0.00 176.83 176.77 1om5 h PHE 658 N 0.62 1.20 -0.28 3.45 3.57 -1.07 0.98 116.94 125.41 1om5 h PHE 658 Ca 0.30 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.82 1om5 h PHE 658 Cb 0.23 -0.40 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 1om5 h PHE 658 CO -0.10 0.77 0.18 0.82 -2.23 0.00 0.00 178.31 177.76 1om5 h ILE 659 N 1.29 1.07 -0.28 1.41 1.08 -0.78 0.47 117.51 121.77 1om5 h ILE 659 Ca 0.34 -0.13 0.04 0.00 -0.39 0.00 0.00 64.86 64.73 1om5 h ILE 659 Cb -0.12 0.66 -0.04 0.00 -3.07 0.00 0.00 36.82 34.25 1om5 h ILE 659 CO -0.07 0.07 0.05 0.11 -0.69 0.00 0.00 178.15 177.61 1om5 h LYS 660 N 0.37 0.14 -0.73 2.37 1.57 -0.90 0.18 116.57 119.57 1om5 h LYS 660 Ca 0.10 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.83 1om5 h LYS 660 Cb -0.04 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 1om5 h LYS 660 CO -0.02 0.09 0.27 1.25 -0.57 0.00 0.00 179.45 180.47 1om5 h HIS 661 N 0.15 1.14 0.46 -1.35 2.76 -0.47 -2.02 115.15 115.80 1om5 h HIS 661 Ca 0.13 -0.10 -0.02 0.00 -2.20 0.00 0.00 60.37 58.18 1om5 h HIS 661 Cb 0.14 -0.34 -0.00 0.00 1.55 0.00 0.00 27.41 28.76 1om5 h HIS 661 CO -0.17 0.88 -0.25 1.98 -1.30 0.00 0.00 177.93 179.07 1om5 h MET 662 N 1.07 -0.63 -0.28 5.26 -1.53 0.68 -0.70 114.93 118.79 1om5 h MET 662 Ca 0.24 0.04 0.05 0.00 -3.44 0.00 0.00 59.70 56.60 1om5 h MET 662 Cb 0.24 0.14 -0.05 0.00 -0.55 0.00 0.00 31.60 31.39 1om5 h MET 662 CO -0.02 -0.42 -0.03 0.93 0.14 0.00 0.00 176.91 177.51 1om5 h GLU 663 N -0.65 0.04 -0.90 0.39 5.08 -0.90 -0.55 114.58 117.09 1om5 h GLU 663 Ca -0.06 -0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.43 1om5 h GLU 663 Cb 0.52 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.69 1om5 h GLU 663 CO 0.08 0.03 0.58 -0.97 -1.00 0.00 0.00 179.01 177.73 1om5 h ASN 664 N 0.05 0.73 0.97 1.42 -0.00 -1.23 -0.25 115.58 117.26 1om5 h ASN 664 Ca 0.13 0.04 -0.02 0.00 -0.00 0.00 0.00 56.30 56.45 1om5 h ASN 664 Cb 0.19 -0.11 -0.00 0.00 -0.00 0.00 0.00 38.32 38.40 1om5 h ASN 664 CO -0.25 0.39 -0.10 -0.33 -0.00 0.00 0.00 177.43 177.14 1om5 h GLU 665 N 0.78 0.00 0.08 6.67 4.39 0.46 -0.19 114.58 126.77 1om5 h GLU 665 Ca 0.44 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.99 1om5 h GLU 665 Cb 0.61 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.27 1om5 h GLU 665 CO -0.21 0.10 -0.67 1.88 -1.16 0.00 0.00 179.01 178.96 1om5 h TYR 666 N 0.00 0.52 0.00 4.33 -1.99 -0.45 -0.96 116.97 118.42 1om5 h TYR 666 Ca -0.00 -0.34 0.00 0.00 2.00 0.00 0.00 58.73 60.39 1om5 h TYR 666 Cb 0.61 -0.04 0.00 0.00 2.00 0.00 0.00 36.73 39.30 1om5 h TYR 666 CO 0.00 1.22 0.00 2.89 -0.00 0.00 0.00 178.16 182.27 1om5 n ARG 667 N -4.20 0.64 -0.08 4.88 1.85 -0.98 -0.98 116.66 117.78 1om5 n ARG 667 Ca -0.12 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.66 1om5 n ARG 667 Cb 0.74 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.62 1om5 n ARG 667 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1om5 n ARG 669 N -4.25 1.51 -1.52 0.00 1.85 -0.38 -5.00 116.66 108.86 1om5 n ARG 669 Ca -0.11 -2.11 -0.04 0.00 -1.00 0.00 0.00 57.85 54.59 1om5 n ARG 669 Cb 0.42 -1.26 -0.01 0.00 -1.05 0.00 0.00 32.46 30.56 1om5 n ARG 669 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1om5 n GLY 670 N -1.04 0.47 0.00 2.89 0.00 -0.15 -4.30 105.19 103.07 1om5 n GLY 670 Ca 0.10 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1om5 n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1om5 n GLY 671 N -1.88 2.24 3.08 -0.02 0.00 -1.11 0.62 105.19 108.13 1om5 n GLY 671 Ca -0.04 -1.12 -0.02 0.00 0.00 0.00 0.00 46.02 44.84 1om5 n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1om5 n PRO 673 N 4.84 2.50 -3.84 0.00 -0.04 -1.26 -4.66 135.00 132.53 1om5 n PRO 673 Ca 0.08 0.90 -0.12 0.00 -0.04 0.00 0.00 63.50 64.32 1om5 n PRO 673 Cb 0.53 -2.72 -0.13 0.00 -0.04 0.00 0.00 33.50 31.14 1om5 n PRO 673 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1om5 s ALA 674 N 1.22 -0.18 -0.47 0.55 0.00 0.40 -4.11 121.76 119.17 1om5 s ALA 674 Ca 0.77 0.22 -0.10 0.00 0.00 0.00 0.00 51.96 52.85 1om5 s ALA 674 Cb -0.58 -0.13 0.11 0.00 0.00 0.00 0.00 23.12 22.52 1om5 s ALA 674 CO 0.35 -0.04 0.35 0.34 0.00 0.00 0.00 175.76 176.76 1om5 s ASP 675 N 0.09 5.78 0.21 0.00 -1.08 0.15 -3.74 116.67 118.09 1om5 s ASP 675 Ca -0.00 -1.78 -0.09 0.00 -0.52 0.00 0.00 52.55 50.16 1om5 s ASP 675 Cb -0.01 -2.04 0.32 0.00 -1.46 0.00 0.00 42.92 39.72 1om5 s ASP 675 CO -0.00 -0.68 1.71 -0.25 0.52 0.00 0.00 175.17 176.47 1om5 h TRP 676 N 8.52 0.25 -0.89 -5.34 7.01 -1.92 0.34 115.95 123.92 1om5 h TRP 676 Ca -0.23 0.04 0.17 0.00 2.11 0.00 0.00 58.89 60.98 1om5 h TRP 676 Cb 1.08 -0.02 -0.07 0.00 -2.10 0.00 0.00 29.16 28.05 1om5 h TRP 676 CO 0.64 -0.01 0.58 0.28 -2.79 0.00 0.00 178.44 177.14 1om5 h VAL 677 N 0.29 0.75 0.00 2.65 2.07 -1.92 -1.88 116.25 118.20 1om5 h VAL 677 Ca 0.33 -0.19 -0.16 0.00 0.82 0.00 0.00 66.70 67.50 1om5 h VAL 677 Cb 0.49 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 1om5 h VAL 677 CO -0.40 0.10 -1.92 0.79 0.02 0.00 0.00 177.57 176.16 1om5 n TRP 678 N -4.55 0.31 -0.03 1.57 7.02 -0.53 -4.51 117.44 116.72 1om5 n TRP 678 Ca 0.18 0.10 -0.14 0.00 -1.02 0.00 0.00 57.50 56.62 1om5 n TRP 678 Cb 0.59 -0.84 -0.10 0.00 -2.42 0.00 0.00 31.31 28.54 1om5 n TRP 678 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 1om5 h ILE 679 N 0.00 1.45 -2.87 -0.99 1.08 0.19 -3.44 117.51 112.93 1om5 h ILE 679 Ca -0.22 -1.62 -0.52 0.00 -0.39 0.00 0.00 64.86 62.10 1om5 h ILE 679 Cb 1.56 2.37 0.04 0.00 -3.07 0.00 0.00 36.82 37.72 1om5 h ILE 679 CO 0.02 0.45 0.86 -0.69 -0.69 0.00 0.00 178.15 178.10 1om5 s VAL 680 N -3.69 2.68 0.64 1.67 1.01 -0.76 -4.92 120.40 117.03 1om5 s VAL 680 Ca -0.15 0.49 -0.18 0.00 0.00 0.00 0.00 61.98 62.14 1om5 s VAL 680 Cb 0.03 -3.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 1om5 s VAL 680 CO 0.74 0.04 1.28 -2.84 0.00 0.00 0.00 175.10 174.32 1om5 s PRO 681 N 1.04 2.60 0.00 2.72 0.02 -1.26 -4.88 135.00 135.24 1om5 s PRO 681 Ca 0.69 2.03 0.00 0.00 0.02 0.00 0.00 61.00 63.74 1om5 s PRO 681 Cb -0.43 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.23 1om5 s PRO 681 CO 0.32 -1.55 0.43 -0.35 -0.33 0.00 0.00 177.00 175.52 1om5 n PRO 682 N -1.88 0.45 -3.63 5.54 -0.04 -1.26 -4.18 135.00 130.00 1om5 n PRO 682 Ca 0.16 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.46 1om5 n PRO 682 Cb 0.48 -1.02 -0.07 0.00 -0.04 0.00 0.00 33.50 32.85 1om5 n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1om5 s MET 683 N -1.93 0.86 -1.09 0.54 0.23 -1.26 -4.93 119.30 111.72 1om5 s MET 683 Ca 0.00 0.20 0.00 0.00 -1.03 0.00 0.00 55.69 54.86 1om5 s MET 683 Cb 0.00 0.40 0.00 0.00 -1.53 0.00 0.00 34.83 33.70 1om5 s MET 683 CO 0.00 -0.24 0.00 0.43 -2.03 0.00 0.00 175.02 173.18 1om5 n SER 684 N 1.35 -3.48 -0.30 -1.18 7.64 -1.26 -4.85 113.62 111.54 1om5 n SER 684 Ca -0.19 0.24 -0.03 0.00 1.01 0.00 0.00 58.87 59.90 1om5 n SER 684 Cb 0.56 -3.09 -0.00 0.00 -1.01 0.00 0.00 64.21 60.67 1om5 n SER 684 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1om5 n GLY 685 N -0.56 -1.67 0.00 0.23 0.00 -1.26 -0.83 105.19 101.09 1om5 n GLY 685 Ca -0.13 0.85 0.09 0.00 0.00 0.00 0.00 46.02 46.83 1om5 n GLY 685 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1om5 n SER 686 N -5.04 0.00 -1.35 1.61 3.41 -1.26 -2.33 113.62 108.65 1om5 n SER 686 Ca 0.06 0.35 0.09 0.00 -0.26 0.00 0.00 58.87 59.11 1om5 n SER 686 Cb 0.26 -0.44 0.31 0.00 -0.26 0.00 0.00 64.21 64.09 1om5 n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1om5 n ILE 687 N -1.44 1.30 -4.29 -1.33 -5.35 -0.01 -4.82 119.36 103.42 1om5 n ILE 687 Ca 0.06 -0.97 -0.31 0.00 -0.27 0.00 0.00 62.75 61.26 1om5 n ILE 687 Cb 0.20 0.23 -0.10 0.00 -1.74 0.00 0.00 39.64 38.23 1om5 n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1om5 s THR 688 N -1.53 3.62 0.42 7.28 -4.23 -0.99 -5.04 115.64 115.17 1om5 s THR 688 Ca 0.45 -1.03 0.17 0.00 -1.18 0.00 0.00 61.69 60.10 1om5 s THR 688 Cb 0.26 -2.66 0.19 0.00 1.34 0.00 0.00 72.50 71.64 1om5 s THR 688 CO 0.25 0.21 1.98 1.55 -0.54 0.00 0.00 174.62 178.07 1om5 h PRO 689 N 3.90 0.00 0.00 3.99 0.13 -1.86 -3.11 132.00 135.04 1om5 h PRO 689 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 1om5 h PRO 689 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1om5 h PRO 689 CO 0.54 0.21 -0.03 -0.39 -0.23 0.00 0.00 178.00 178.10 1om5 h VAL 690 N 0.00 0.76 -0.78 1.56 -1.51 -1.89 -2.69 116.25 111.70 1om5 h VAL 690 Ca -0.00 -0.13 -0.00 0.00 -1.23 0.00 0.00 66.70 65.34 1om5 h VAL 690 Cb 0.40 1.08 -0.04 0.00 -2.13 0.00 0.00 31.29 30.60 1om5 h VAL 690 CO 0.03 0.03 0.48 0.15 -1.23 0.00 0.00 177.57 177.03 1om5 h PHE 691 N 0.00 1.01 -0.21 5.19 3.57 -1.74 -2.00 116.94 122.77 1om5 h PHE 691 Ca -0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1om5 h PHE 691 Cb 0.07 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.48 1om5 h PHE 691 CO 0.00 0.67 0.00 0.72 -2.23 0.00 0.00 178.31 177.47 1om5 n HIS 692 N -4.50 0.28 -3.72 0.41 8.25 -1.02 -4.84 115.22 110.08 1om5 n HIS 692 Ca 0.07 -0.14 -0.36 0.00 -0.26 0.00 0.00 57.72 57.04 1om5 n HIS 692 Cb 0.04 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.06 1om5 n HIS 692 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1om5 s GLN 693 N -1.72 4.07 0.33 -0.41 2.00 -0.75 -1.08 119.66 122.10 1om5 s GLN 693 Ca 0.20 -0.27 -0.25 0.00 -2.00 0.00 0.00 55.36 53.03 1om5 s GLN 693 Cb 0.10 -3.47 -0.10 0.00 0.80 0.00 0.00 33.01 30.35 1om5 s GLN 693 CO 0.14 0.13 0.93 -1.21 -0.50 0.00 0.00 175.29 174.79 1om5 s GLU 694 N 0.84 4.53 0.01 1.67 2.02 -0.97 -5.01 118.70 121.78 1om5 s GLU 694 Ca 0.07 1.28 -0.00 0.00 0.02 0.00 0.00 54.97 56.34 1om5 s GLU 694 Cb -0.13 -2.74 -0.01 0.00 0.10 0.00 0.00 34.13 31.35 1om5 s GLU 694 CO 0.02 0.25 -0.01 -1.64 0.02 0.00 0.00 175.26 173.90 1om5 s MET 695 N -2.17 0.22 -0.15 1.61 -1.94 -1.26 -4.74 119.30 110.87 1om5 s MET 695 Ca 0.51 -0.39 -0.04 0.00 -1.71 0.00 0.00 55.69 54.05 1om5 s MET 695 Cb -0.17 0.08 -0.03 0.00 2.01 0.00 0.00 34.83 36.71 1om5 s MET 695 CO 0.22 -0.04 0.00 -0.51 -0.01 0.00 0.00 175.02 174.69 1om5 s LEU 696 N -0.97 3.51 -0.17 -0.03 1.43 -1.26 -4.93 118.68 116.26 1om5 s LEU 696 Ca -0.11 0.00 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 1om5 s LEU 696 Cb -0.07 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.31 1om5 s LEU 696 CO -0.01 0.22 -0.16 0.21 0.23 0.00 0.00 176.35 176.85 1om5 s ASN 697 N 0.07 3.54 0.11 2.29 3.04 -1.25 -0.45 114.94 122.29 1om5 s ASN 697 Ca 0.02 -0.53 -0.18 0.00 0.04 0.00 0.00 52.86 52.22 1om5 s ASN 697 Cb -0.13 -1.55 0.04 0.00 -1.54 0.00 0.00 41.25 38.07 1om5 s ASN 697 CO 0.02 0.04 0.43 -0.72 -3.04 0.00 0.00 177.10 173.84 1om5 s TYR 698 N 1.06 -0.27 -0.16 0.43 -0.85 -1.26 -4.97 117.35 111.33 1om5 s TYR 698 Ca -0.01 0.05 -0.14 0.00 -0.52 0.00 0.00 57.07 56.45 1om5 s TYR 698 Cb -0.14 0.29 -0.05 0.00 0.38 0.00 0.00 41.96 42.44 1om5 s TYR 698 CO -0.05 -0.69 0.31 1.03 -1.52 0.00 0.00 175.55 174.64 1om5 s ARG 699 N -3.42 4.27 0.11 -3.49 0.52 -1.26 -4.81 118.95 110.87 1om5 s ARG 699 Ca 0.00 0.13 0.08 0.00 -0.52 0.00 0.00 55.73 55.42 1om5 s ARG 699 Cb 0.01 -3.43 -0.04 0.00 0.52 0.00 0.00 34.95 32.01 1om5 s ARG 699 CO -0.09 0.22 -0.20 -0.51 0.02 0.00 0.00 175.30 174.74 1om5 s LEU 700 N 0.50 2.33 0.14 2.53 1.43 -1.26 -3.60 118.68 120.75 1om5 s LEU 700 Ca 0.17 -0.72 0.09 0.00 -1.03 0.00 0.00 54.13 52.64 1om5 s LEU 700 Cb -0.13 -0.84 -0.04 0.00 0.03 0.00 0.00 46.19 45.20 1om5 s LEU 700 CO 0.04 0.03 -0.14 0.42 0.23 0.00 0.00 176.35 176.93 1om5 s THR 701 N -1.38 3.01 1.05 5.49 -4.23 -1.26 -4.26 115.64 114.07 1om5 s THR 701 Ca 0.08 -1.54 -0.12 0.00 -1.18 0.00 0.00 61.69 58.92 1om5 s THR 701 Cb -0.09 -2.42 0.19 0.00 1.34 0.00 0.00 72.50 71.51 1om5 s THR 701 CO 0.05 0.03 0.87 -2.65 -0.54 0.00 0.00 174.62 172.37 1om5 n PRO 702 N 0.52 -1.37 -3.73 3.99 -0.02 -1.26 -5.00 135.00 128.13 1om5 n PRO 702 Ca -0.14 -0.36 -0.10 0.00 -2.02 0.00 0.00 63.50 60.89 1om5 n PRO 702 Cb 0.54 -2.15 -0.04 0.00 -0.02 0.00 0.00 33.50 31.83 1om5 n PRO 702 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1om5 s SER 703 N -2.37 -0.26 -0.19 2.55 1.04 -0.79 -4.14 113.70 109.54 1om5 s SER 703 Ca 0.65 -0.47 -0.04 0.00 0.48 0.00 0.00 55.95 56.57 1om5 s SER 703 Cb -0.22 0.57 -0.02 0.00 0.10 0.00 0.00 66.02 66.45 1om5 s SER 703 CO 0.63 -1.04 -0.03 -0.36 0.98 0.00 0.00 173.24 173.42 1om5 s PHE 704 N -3.87 2.99 0.32 5.02 0.40 -1.26 -0.70 117.98 120.88 1om5 s PHE 704 Ca 0.09 -0.60 0.09 0.00 -0.60 0.00 0.00 56.93 55.91 1om5 s PHE 704 Cb -0.01 -2.05 -0.06 0.00 0.51 0.00 0.00 43.02 41.41 1om5 s PHE 704 CO -0.03 -0.31 -0.09 -1.21 0.70 0.00 0.00 175.22 174.28 1om5 s GLU 705 N 1.00 1.73 0.61 0.44 0.41 0.11 -4.89 118.70 118.11 1om5 s GLU 705 Ca 0.01 -1.88 -0.09 0.00 -0.41 0.00 0.00 54.97 52.60 1om5 s GLU 705 Cb -0.15 -1.56 -0.01 0.00 -1.78 0.00 0.00 34.13 30.64 1om5 s GLU 705 CO 0.01 0.13 0.97 0.71 -0.49 0.00 0.00 175.26 176.59 1om5 s TYR 706 N -2.71 3.44 0.05 1.61 4.12 -1.26 -0.12 117.35 122.48 1om5 s TYR 706 Ca 0.31 0.97 -0.13 0.00 0.02 0.00 0.00 57.07 58.25 1om5 s TYR 706 Cb 0.02 -2.75 0.02 0.00 -1.52 0.00 0.00 41.96 37.73 1om5 s TYR 706 CO 0.15 -0.79 0.28 1.14 0.02 0.00 0.00 175.55 176.35 1om5 s GLN 707 N -5.11 0.81 0.67 -0.62 -2.07 -1.26 -4.72 119.66 107.37 1om5 s GLN 707 Ca 0.54 -0.59 -0.17 0.00 -1.82 0.00 0.00 55.36 53.32 1om5 s GLN 707 Cb -0.11 0.35 -0.02 0.00 -1.09 0.00 0.00 33.01 32.14 1om5 s GLN 707 CO 0.49 -0.26 0.98 -2.30 -1.32 0.00 0.00 175.29 172.88 1om5 n PRO 708 N 0.46 0.68 -1.96 9.60 -0.02 -1.26 -4.86 135.00 137.64 1om5 n PRO 708 Ca -0.18 0.28 -0.41 0.00 -2.02 0.00 0.00 63.50 61.17 1om5 n PRO 708 Cb 0.60 -2.21 -0.02 0.00 -0.02 0.00 0.00 33.50 31.84 1om5 n PRO 708 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1om5 s ASP 709 N -1.48 6.59 0.50 2.55 1.01 -1.26 -4.87 116.67 119.71 1om5 s ASP 709 Ca 0.75 2.73 0.24 0.00 0.71 0.00 0.00 52.55 56.98 1om5 s ASP 709 Cb -0.37 -2.63 1.32 0.00 1.01 0.00 0.00 42.92 42.25 1om5 s ASP 709 CO 0.48 -0.75 1.95 1.55 0.21 0.00 0.00 175.17 178.61 1om5 h PRO 710 N 4.99 0.11 0.00 8.23 0.13 -1.92 -2.04 132.00 141.50 1om5 h PRO 710 Ca -0.46 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1om5 h PRO 710 Cb 1.22 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1om5 h PRO 710 CO 0.78 0.07 0.00 0.11 -0.23 0.00 0.00 178.00 178.73 1om5 h TRP 711 N 0.11 0.00 -0.01 1.56 0.09 -1.95 -0.95 115.95 114.81 1om5 h TRP 711 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.30 1om5 h TRP 711 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.35 1om5 h TRP 711 CO -0.00 0.00 -0.17 0.09 0.09 0.00 0.00 178.44 178.45 1om5 n ASN 712 N -2.43 1.12 0.00 0.11 5.03 -0.77 -4.43 115.26 113.89 1om5 n ASN 712 Ca 0.03 -1.05 0.00 0.00 0.87 0.00 0.00 54.58 54.43 1om5 n ASN 712 Cb 0.34 0.08 0.00 0.00 -1.02 0.00 0.00 39.78 39.18 1om5 n ASN 712 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1om5 n THR 713 N -0.43 0.00 -1.57 3.41 -2.24 -1.13 -5.05 114.28 107.28 1om5 n THR 713 Ca 0.14 0.00 -0.50 0.00 -2.27 0.00 0.00 64.05 61.42 1om5 n THR 713 Cb 0.34 -0.38 -0.05 0.00 -2.10 0.00 0.00 70.33 68.15 1om5 n THR 713 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1om5 n HIS 714 N -1.63 1.26 -3.27 4.78 -0.00 -0.38 -4.93 115.22 111.05 1om5 n HIS 714 Ca 0.00 0.70 -0.44 0.00 -0.00 0.00 0.00 57.72 57.98 1om5 n HIS 714 Cb 0.25 -2.27 -0.07 0.00 -0.00 0.00 0.00 29.99 27.90 1om5 n HIS 714 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1om5 s VAL 715 N -0.01 5.06 0.48 3.57 1.01 -1.26 -5.01 120.40 124.24 1om5 s VAL 715 Ca 0.77 -0.87 -0.23 0.00 0.00 0.00 0.00 61.98 61.65 1om5 s VAL 715 Cb -0.91 -4.24 -0.07 0.00 0.00 0.00 0.00 36.38 31.17 1om5 s VAL 715 CO 0.51 -0.73 1.25 0.26 0.00 0.00 0.00 175.10 176.39 1om5 s TRP 716 N 2.10 2.66 -2.98 5.22 0.52 -1.26 -4.92 118.94 120.28 1om5 s TRP 716 Ca 0.09 1.47 0.24 0.00 0.02 0.00 0.00 56.10 57.92 1om5 s TRP 716 Cb -0.23 -3.56 0.23 0.00 -1.15 0.00 0.00 33.47 28.76 1om5 s TRP 716 CO 0.08 -2.05 1.28 1.63 0.02 0.00 0.00 176.95 177.91