#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jwv s PHE 300 N 0.00 2.89 -0.12 -0.14 0.40 -1.26 -4.69 117.98 115.06 3jwv s PHE 300 Ca 0.00 -0.73 -0.00 0.00 -0.60 0.00 0.00 56.93 55.60 3jwv s PHE 300 Cb 0.00 -1.95 -0.02 0.00 0.51 0.00 0.00 43.02 41.56 3jwv s PHE 300 CO 0.00 -0.32 -0.10 -0.51 0.70 0.00 0.00 175.22 174.99 3jwv s LEU 301 N 0.76 2.90 0.03 -0.37 1.43 -0.65 -4.91 118.68 117.88 3jwv s LEU 301 Ca -0.04 -0.22 -0.09 0.00 -1.03 0.00 0.00 54.13 52.74 3jwv s LEU 301 Cb -0.15 -1.65 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 3jwv s LEU 301 CO 0.02 0.22 0.35 -0.54 0.23 0.00 0.00 176.35 176.62 3jwv s LYS 302 N 0.06 3.71 0.04 1.70 1.02 -1.26 0.69 119.74 125.70 3jwv s LYS 302 Ca -0.03 0.12 0.06 0.00 0.02 0.00 0.00 55.97 56.13 3jwv s LYS 302 Cb -0.14 -3.07 -0.02 0.00 -0.52 0.00 0.00 37.83 34.08 3jwv s LYS 302 CO 0.04 0.62 -0.17 0.14 -0.92 0.00 0.00 175.35 175.06 3jwv s VAL 303 N -1.30 1.34 0.01 3.17 -7.23 -0.31 -4.97 120.40 111.12 3jwv s VAL 303 Ca 0.29 -1.04 0.07 0.00 -1.81 0.00 0.00 61.98 59.49 3jwv s VAL 303 Cb -0.14 -1.18 -0.02 0.00 0.56 0.00 0.00 36.38 35.60 3jwv s VAL 303 CO 0.16 0.12 -0.23 -0.75 -0.31 0.00 0.00 175.10 174.09 3jwv s LYS 304 N -1.08 1.69 -0.30 4.82 2.20 -1.26 -0.47 119.74 125.34 3jwv s LYS 304 Ca 0.04 -0.90 -0.18 0.00 -0.36 0.00 0.00 55.97 54.58 3jwv s LYS 304 Cb -0.08 -1.73 -0.02 0.00 -1.51 0.00 0.00 37.83 34.50 3jwv s LYS 304 CO 0.01 0.46 0.51 1.21 -0.36 0.00 0.00 175.35 177.18 3jwv s ASN 305 N -0.85 6.37 0.00 1.43 3.84 -0.18 -1.83 114.94 123.72 3jwv s ASN 305 Ca 0.09 0.27 0.23 0.00 0.21 0.00 0.00 52.86 53.66 3jwv s ASN 305 Cb -0.09 -2.27 1.13 0.00 -0.55 0.00 0.00 41.25 39.47 3jwv s ASN 305 CO 0.00 -0.37 1.76 0.79 -2.79 0.00 0.00 177.10 176.50 3jwv n TRP 306 N 5.62 0.00 -0.06 0.43 7.02 -0.08 0.35 117.44 130.72 3jwv n TRP 306 Ca -0.05 0.00 -0.18 0.00 -1.02 0.00 0.00 57.50 56.25 3jwv n TRP 306 Cb 0.49 -0.34 -0.13 0.00 -2.42 0.00 0.00 31.31 28.92 3jwv n TRP 306 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 3jwv n GLU 307 N -1.34 0.70 -0.00 -0.99 2.13 -1.26 -4.61 120.64 115.27 3jwv n GLU 307 Ca 0.10 0.20 0.05 0.00 0.66 0.00 0.00 57.16 58.17 3jwv n GLU 307 Cb 0.21 -1.62 -0.06 0.00 0.27 0.00 0.00 31.44 30.23 3jwv n GLU 307 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3jwv n THR 308 N -3.30 0.00 -0.84 6.31 -2.24 -1.17 -5.00 114.28 108.04 3jwv n THR 308 Ca -0.37 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 3jwv n THR 308 Cb 1.03 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 70.13 3jwv n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3jwv n ASP 309 N -1.36 -2.09 -4.69 3.42 10.43 0.15 -4.97 116.55 117.44 3jwv n ASP 309 Ca 0.01 0.00 -0.42 0.00 2.57 0.00 0.00 54.79 56.95 3jwv n ASP 309 Cb 0.19 -1.75 -0.03 0.00 1.84 0.00 0.00 41.12 41.36 3jwv n ASP 309 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3jwv s VAL 310 N -1.92 2.62 -0.12 2.53 1.01 -1.24 -4.75 120.40 118.53 3jwv s VAL 310 Ca 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 61.98 62.05 3jwv s VAL 310 Cb 0.00 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 3jwv s VAL 310 CO 0.00 -0.00 -0.05 -0.69 0.00 0.00 0.00 175.10 174.36 3jwv s VAL 311 N 2.88 3.86 0.18 2.92 1.01 -1.26 -1.01 120.40 128.97 3jwv s VAL 311 Ca 0.81 -0.39 0.10 0.00 0.00 0.00 0.00 61.98 62.50 3jwv s VAL 311 Cb -0.45 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 3jwv s VAL 311 CO 0.36 0.54 -0.22 -0.76 0.00 0.00 0.00 175.10 175.02 3jwv s LEU 312 N -0.12 2.44 -0.12 3.92 1.43 0.38 -4.97 118.68 121.64 3jwv s LEU 312 Ca 0.02 -0.87 0.02 0.00 -1.03 0.00 0.00 54.13 52.28 3jwv s LEU 312 Cb -0.13 -1.03 0.01 0.00 0.03 0.00 0.00 46.19 45.07 3jwv s LEU 312 CO 0.03 0.06 -0.19 -0.89 0.23 0.00 0.00 176.35 175.58 3jwv s THR 313 N -1.82 1.82 -0.21 5.49 2.01 -1.26 -1.16 115.64 120.50 3jwv s THR 313 Ca 0.19 -0.84 -0.06 0.00 0.31 0.00 0.00 61.69 61.28 3jwv s THR 313 Cb -0.07 -1.63 -0.03 0.00 0.01 0.00 0.00 72.50 70.78 3jwv s THR 313 CO 0.09 0.50 0.04 -0.62 -0.69 0.00 0.00 174.62 173.94 3jwv s ASP 314 N 0.85 5.13 -0.01 3.53 -1.08 0.22 -4.65 116.67 120.66 3jwv s ASP 314 Ca -0.08 -0.14 0.03 0.00 -0.52 0.00 0.00 52.55 51.85 3jwv s ASP 314 Cb -0.15 -1.90 -0.05 0.00 -1.46 0.00 0.00 42.92 39.36 3jwv s ASP 314 CO -0.01 0.05 0.06 0.35 0.52 0.00 0.00 175.17 176.14 3jwv n THR 315 N 4.34 0.05 -0.03 1.71 -2.24 0.30 -1.63 114.28 116.78 3jwv n THR 315 Ca -0.17 -0.09 0.08 0.00 -2.27 0.00 0.00 64.05 61.60 3jwv n THR 315 Cb 0.52 0.14 0.47 0.00 -2.10 0.00 0.00 70.33 69.36 3jwv n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3jwv h LEU 316 N 0.00 0.39 -2.68 3.22 5.85 -1.51 -1.40 115.31 119.18 3jwv h LEU 316 Ca -0.02 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3jwv h LEU 316 Cb 0.38 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 3jwv h LEU 316 CO 0.00 0.26 0.08 1.12 -0.34 0.00 0.00 178.44 179.57 3jwv h HIS 317 N 0.45 0.00 -0.20 1.25 2.07 -1.85 0.32 115.15 117.19 3jwv h HIS 317 Ca 0.21 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.71 3jwv h HIS 317 Cb 0.25 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.22 3jwv h HIS 317 CO -0.00 0.00 0.03 -0.07 -3.07 0.00 0.00 177.93 174.82 3jwv h LEU 318 N 0.00 0.25 0.00 6.12 3.38 -1.59 -2.18 115.31 121.28 3jwv h LEU 318 Ca 0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3jwv h LEU 318 Cb 0.18 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3jwv h LEU 318 CO -0.00 0.27 0.00 0.29 0.09 0.00 0.00 178.44 179.09 3jwv n LYS 319 N -4.41 0.68 -2.58 1.13 4.76 0.10 -4.87 118.16 112.98 3jwv n LYS 319 Ca -0.00 0.01 -0.42 0.00 -2.87 0.00 0.00 58.31 55.03 3jwv n LYS 319 Cb 0.15 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.81 3jwv n LYS 319 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3jwv s SER 320 N -2.20 7.22 -0.26 4.39 0.15 -0.82 -4.94 113.70 117.23 3jwv s SER 320 Ca 0.35 1.79 -0.15 0.00 0.70 0.00 0.00 55.95 58.65 3jwv s SER 320 Cb 0.18 -2.57 -0.11 0.00 -1.71 0.00 0.00 66.02 61.82 3jwv s SER 320 CO 0.35 -0.39 -0.35 0.35 1.20 0.00 0.00 173.24 174.40 3jwv n THR 321 N 4.05 1.51 -1.26 6.45 -2.24 -1.25 -5.03 114.28 116.52 3jwv n THR 321 Ca 0.08 -0.27 -0.29 0.00 -2.27 0.00 0.00 64.05 61.30 3jwv n THR 321 Cb 0.49 -1.98 0.18 0.00 -2.10 0.00 0.00 70.33 66.92 3jwv n THR 321 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3jwv s LEU 322 N -7.58 1.50 0.11 3.22 1.43 -1.26 -5.06 118.68 111.04 3jwv s LEU 322 Ca -0.36 0.97 0.03 0.00 -1.03 0.00 0.00 54.13 53.73 3jwv s LEU 322 Cb 0.12 -3.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.24 3jwv s LEU 322 CO 0.47 -3.24 0.16 -1.61 0.23 0.00 0.00 176.35 172.37 3jwv s GLU 323 N -5.16 3.11 -0.01 1.70 2.02 -1.26 -4.66 118.70 114.43 3jwv s GLU 323 Ca 0.67 -0.67 0.17 0.00 0.02 0.00 0.00 54.97 55.16 3jwv s GLU 323 Cb -0.15 -2.81 -0.19 0.00 0.10 0.00 0.00 34.13 31.07 3jwv s GLU 323 CO 0.56 0.54 0.62 0.25 0.02 0.00 0.00 175.26 177.25 3jwv n THR 324 N 0.00 1.11 0.00 3.63 -2.24 -1.26 -4.92 114.28 110.60 3jwv n THR 324 Ca -0.07 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 3jwv n THR 324 Cb 0.53 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 3jwv n THR 324 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jwv n GLY 325 N 1.46 2.87 3.87 3.38 0.00 -1.26 -4.83 105.19 110.68 3jwv n GLY 325 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 3jwv n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jwv s THR 327 N -2.84 0.61 -0.69 0.00 -4.23 -0.17 -4.99 115.64 103.33 3jwv s THR 327 Ca 0.53 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 59.16 3jwv s THR 327 Cb -0.10 -2.47 0.11 0.00 1.34 0.00 0.00 72.50 71.38 3jwv s THR 327 CO 0.44 0.00 1.34 -0.62 -0.54 0.00 0.00 174.62 175.24 3jwv n GLU 328 N -0.78 0.06 0.00 3.99 4.71 -1.26 -2.36 120.64 125.00 3jwv n GLU 328 Ca -0.03 0.50 0.01 0.00 -0.01 0.00 0.00 57.16 57.63 3jwv n GLU 328 Cb 0.65 -1.68 -0.01 0.00 -1.01 0.00 0.00 31.44 29.39 3jwv n GLU 328 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 3jwv n HIS 329 N -1.82 0.00 -3.73 -0.32 8.25 -1.26 -5.03 115.22 111.31 3jwv n HIS 329 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 3jwv n HIS 329 Cb 0.06 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.06 3jwv n HIS 329 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3jwv s ILE 330 N -0.91 -0.01 -0.20 1.59 2.07 -0.99 -5.14 121.20 117.61 3jwv s ILE 330 Ca 0.01 0.04 -0.08 0.00 -1.41 0.00 0.00 60.65 59.22 3jwv s ILE 330 Cb 0.02 -0.51 -0.04 0.00 0.13 0.00 0.00 42.46 42.05 3jwv s ILE 330 CO 0.06 0.02 0.08 0.00 -1.91 0.00 0.00 174.94 173.19 3jwv n MET 332 N 3.89 2.13 0.33 0.00 0.00 -1.26 -4.76 117.12 117.44 3jwv n MET 332 Ca -0.16 -3.09 0.21 0.00 0.00 0.00 0.00 57.70 54.66 3jwv n MET 332 Cb 0.52 -1.84 1.13 0.00 0.00 0.00 0.00 33.22 33.03 3jwv n MET 332 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3jwv h GLY 333 N 1.19 0.00 -1.63 3.03 0.00 -1.94 -1.57 103.07 102.15 3jwv h GLY 333 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 3jwv h GLY 333 CO 0.39 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.79 3jwv n SER 334 N -3.23 3.20 -4.71 0.19 3.41 -1.26 -4.85 113.62 106.36 3jwv n SER 334 Ca -0.03 -2.01 -0.42 0.00 -0.26 0.00 0.00 58.87 56.15 3jwv n SER 334 Cb 0.10 -0.30 -0.03 0.00 -0.26 0.00 0.00 64.21 63.72 3jwv n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3jwv s ILE 335 N -1.03 4.88 0.25 -1.33 -1.09 -0.59 -4.96 121.20 117.33 3jwv s ILE 335 Ca 0.30 1.99 -0.04 0.00 -2.23 0.00 0.00 60.65 60.67 3jwv s ILE 335 Cb 0.16 -4.29 0.16 0.00 -1.58 0.00 0.00 42.46 36.90 3jwv s ILE 335 CO 0.20 0.15 1.81 0.24 -1.23 0.00 0.00 174.94 176.10 3jwv h MET 336 N 6.84 1.00 -2.45 2.79 2.86 -1.92 -3.37 114.93 120.68 3jwv h MET 336 Ca -0.40 -0.19 -0.59 0.00 -2.06 0.00 0.00 59.70 56.46 3jwv h MET 336 Cb 1.21 -0.16 -0.38 0.00 0.06 0.00 0.00 31.60 32.33 3jwv h MET 336 CO 0.76 0.85 -0.93 -0.51 1.06 0.00 0.00 176.91 178.14 3jwv s LEU 337 N -9.52 1.54 0.00 1.22 1.43 -1.26 -5.16 118.68 106.94 3jwv s LEU 337 Ca -0.11 -2.97 0.20 0.00 -1.03 0.00 0.00 54.13 50.23 3jwv s LEU 337 Cb 0.16 -0.50 1.00 0.00 0.03 0.00 0.00 46.19 46.87 3jwv s LEU 337 CO 0.82 -0.19 1.65 -2.65 0.23 0.00 0.00 176.35 176.21 3jwv n PRO 338 N 2.99 0.23 -0.79 1.29 -0.02 -1.26 -5.19 135.00 132.25 3jwv n PRO 338 Ca 0.26 0.11 -0.27 0.00 -2.02 0.00 0.00 63.50 61.58 3jwv n PRO 338 Cb 0.45 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.36 3jwv n PRO 338 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3jwv n VAL 348 N -1.33 0.00 -2.58 -1.45 3.14 -1.26 -4.96 118.33 109.88 3jwv n VAL 348 Ca 0.09 0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 61.08 3jwv n VAL 348 Cb 0.18 -0.28 -0.05 0.00 -1.06 0.00 0.00 33.84 32.63 3jwv n VAL 348 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3jwv s ALA 349 N 4.44 3.24 0.32 1.55 0.00 -1.26 -5.07 121.76 124.98 3jwv s ALA 349 Ca 0.73 0.73 0.02 0.00 0.00 0.00 0.00 51.96 53.44 3jwv s ALA 349 Cb -0.75 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.07 3jwv s ALA 349 CO 0.31 -0.09 0.49 0.95 0.00 0.00 0.00 175.76 177.42 3jwv s THR 350 N -1.44 4.98 0.26 0.00 -4.23 -1.26 -4.93 115.64 109.03 3jwv s THR 350 Ca 0.50 -0.67 -0.02 0.00 -1.18 0.00 0.00 61.69 60.32 3jwv s THR 350 Cb -0.25 -3.80 0.25 0.00 1.34 0.00 0.00 72.50 70.04 3jwv s THR 350 CO 0.32 -0.44 1.71 0.11 -0.54 0.00 0.00 174.62 175.78 3jwv h LYS 351 N 0.86 0.37 -0.50 3.99 1.57 -1.95 0.91 116.57 121.82 3jwv h LYS 351 Ca -0.50 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.33 3jwv h LYS 351 Cb 1.23 -0.08 -0.10 0.00 0.08 0.00 0.00 32.23 33.36 3jwv h LYS 351 CO 0.60 0.25 -0.47 0.22 -0.57 0.00 0.00 179.45 179.48 3jwv h ASP 352 N 0.39 -1.59 0.94 0.86 3.58 -1.99 -2.94 116.42 115.67 3jwv h ASP 352 Ca 0.47 0.24 -0.20 0.00 0.42 0.00 0.00 57.03 57.95 3jwv h ASP 352 Cb 0.79 0.69 -0.03 0.00 1.72 0.00 0.00 39.33 42.51 3jwv h ASP 352 CO -0.48 -0.36 -0.96 0.06 -2.88 0.00 0.00 179.24 174.62 3jwv h GLN 353 N -0.29 0.01 -0.28 0.28 3.07 -1.75 -3.39 115.11 112.76 3jwv h GLN 353 Ca 0.14 -0.02 -0.03 0.00 0.09 0.00 0.00 58.65 58.83 3jwv h GLN 353 Cb 0.57 0.01 -0.01 0.00 0.08 0.00 0.00 27.48 28.13 3jwv h GLN 353 CO -0.64 0.97 0.04 1.25 0.09 0.00 0.00 178.83 180.53 3jwv h LEU 354 N 0.00 0.45 -0.66 0.06 5.85 -0.66 -3.21 115.31 117.13 3jwv h LEU 354 Ca -0.01 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 3jwv h LEU 354 Cb 1.70 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.58 3jwv h LEU 354 CO 0.13 0.60 0.39 0.15 -0.34 0.00 0.00 178.44 179.37 3jwv h PHE 355 N 0.28 0.88 -0.86 1.25 3.57 -1.74 -1.82 116.94 118.50 3jwv h PHE 355 Ca 0.08 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.59 3jwv h PHE 355 Cb 0.34 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 38.75 3jwv h PHE 355 CO 0.02 0.61 0.57 -1.00 -2.23 0.00 0.00 178.31 176.28 3jwv h PRO 356 N 0.90 1.11 -0.77 6.41 0.13 -1.80 0.12 132.00 138.11 3jwv h PRO 356 Ca 0.24 -0.07 -0.05 0.00 -0.87 0.00 0.00 66.00 65.25 3jwv h PRO 356 Cb -0.01 -0.25 -0.03 0.00 0.13 0.00 0.00 31.00 30.83 3jwv h PRO 356 CO -0.04 0.73 0.27 -0.07 -0.23 0.00 0.00 178.00 178.66 3jwv h LEU 357 N 1.14 1.09 -0.10 1.56 3.38 -1.50 -1.81 115.31 119.08 3jwv h LEU 357 Ca 0.32 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3jwv h LEU 357 Cb -0.10 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.36 3jwv h LEU 357 CO -0.08 0.99 -0.02 0.00 0.09 0.00 0.00 178.44 179.43 3jwv h ALA 358 N 1.15 0.13 -0.23 1.53 0.00 -0.95 -2.38 119.26 118.53 3jwv h ALA 358 Ca 0.25 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 55.01 3jwv h ALA 358 Cb 0.27 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 3jwv h ALA 358 CO -0.01 -0.14 -0.19 -0.22 0.00 0.00 0.00 179.25 178.68 3jwv h LYS 359 N -0.13 -0.19 -0.35 0.00 3.64 -0.85 0.86 116.57 119.55 3jwv h LYS 359 Ca 0.03 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.47 3jwv h LYS 359 Cb 0.41 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.23 3jwv h LYS 359 CO 0.01 -0.13 0.06 0.93 -2.27 0.00 0.00 179.45 178.05 3jwv h GLU 360 N -0.20 0.16 -0.30 1.90 5.08 -1.35 0.80 114.58 120.68 3jwv h GLU 360 Ca 0.13 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.51 3jwv h GLU 360 Cb 0.40 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 3jwv h GLU 360 CO -0.35 0.11 0.13 0.35 -1.00 0.00 0.00 179.01 178.26 3jwv h PHE 361 N 0.17 0.24 -0.22 4.33 3.57 -0.86 -0.88 116.94 123.29 3jwv h PHE 361 Ca 0.17 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.53 3jwv h PHE 361 Cb 0.20 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 3jwv h PHE 361 CO -0.20 0.13 -0.46 -0.07 -2.23 0.00 0.00 178.31 175.48 3jwv h LEU 362 N 0.28 0.63 -0.28 0.59 3.38 -0.37 0.12 115.31 119.66 3jwv h LEU 362 Ca 0.13 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.82 3jwv h LEU 362 Cb 0.06 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3jwv h LEU 362 CO -0.10 1.00 0.10 0.44 0.09 0.00 0.00 178.44 179.96 3jwv h ASP 363 N 0.47 0.11 -0.09 -0.43 3.45 -0.76 0.20 116.42 119.37 3jwv h ASP 363 Ca 0.03 0.03 0.04 0.00 0.43 0.00 0.00 57.03 57.55 3jwv h ASP 363 Cb 0.99 0.01 -0.05 0.00 -0.56 0.00 0.00 39.33 39.73 3jwv h ASP 363 CO 0.09 0.10 -0.19 1.56 -1.57 0.00 0.00 179.24 179.23 3jwv h GLN 364 N 0.23 -0.24 0.32 3.56 4.20 -0.74 -0.66 115.11 121.77 3jwv h GLN 364 Ca 0.12 0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 3jwv h GLN 364 Cb 0.09 0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.93 3jwv h GLN 364 CO -0.12 -0.16 -0.15 -0.92 -0.67 0.00 0.00 178.83 176.80 3jwv h TYR 365 N -0.25 -0.40 -0.39 2.96 3.20 -0.74 -0.93 116.97 120.42 3jwv h TYR 365 Ca 0.09 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.95 3jwv h TYR 365 Cb 0.38 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 3jwv h TYR 365 CO -0.28 -0.21 0.25 1.88 -1.64 0.00 0.00 178.16 178.15 3jwv h TYR 366 N -0.49 0.49 -0.75 -3.82 -1.99 -0.57 -1.39 116.97 108.46 3jwv h TYR 366 Ca -0.04 0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.67 3jwv h TYR 366 Cb 0.37 -0.17 -0.03 0.00 2.00 0.00 0.00 36.73 38.90 3jwv h TYR 366 CO -0.04 0.32 0.39 0.77 -0.00 0.00 0.00 178.16 179.60 3jwv h SER 367 N 0.53 0.95 -0.73 3.88 0.02 -0.91 0.13 113.55 117.41 3jwv h SER 367 Ca 0.14 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3jwv h SER 367 Cb -0.04 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.22 3jwv h SER 367 CO -0.03 0.79 0.47 0.77 -1.14 0.00 0.00 176.83 177.69 3jwv h SER 368 N 1.04 0.86 -0.07 3.07 4.64 -0.08 -1.81 113.55 121.20 3jwv h SER 368 Ca 0.26 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3jwv h SER 368 Cb 0.07 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 3jwv h SER 368 CO -0.04 0.64 0.00 2.30 -0.87 0.00 0.00 176.83 178.86 3jwv n ILE 369 N -4.55 0.09 -3.52 0.95 -5.35 -0.89 -4.93 119.36 101.16 3jwv n ILE 369 Ca 0.07 -0.13 -0.20 0.00 -0.27 0.00 0.00 62.75 62.21 3jwv n ILE 369 Cb 0.03 -0.03 0.08 0.00 -1.74 0.00 0.00 39.64 37.98 3jwv n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3jwv n LYS 370 N -0.35 -6.93 -1.06 6.28 5.02 -0.68 -4.92 118.16 115.52 3jwv n LYS 370 Ca 0.13 0.82 0.04 0.00 -2.02 0.00 0.00 58.31 57.28 3jwv n LYS 370 Cb 0.15 -5.82 0.06 0.00 -0.02 0.00 0.00 35.03 29.41 3jwv n LYS 370 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3jwv n ARG 371 N -4.45 0.38 -1.98 1.97 5.12 0.41 -5.02 116.66 113.09 3jwv n ARG 371 Ca -0.18 -2.11 -0.42 0.00 -1.93 0.00 0.00 57.85 53.21 3jwv n ARG 371 Cb 0.63 -0.49 -0.03 0.00 -1.16 0.00 0.00 32.46 31.41 3jwv n ARG 371 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 3jwv s PHE 372 N -0.80 2.35 0.00 -1.55 5.36 -1.09 -2.34 117.98 119.91 3jwv s PHE 372 Ca 0.29 0.33 0.00 0.00 -0.96 0.00 0.00 56.93 56.59 3jwv s PHE 372 Cb 0.31 -3.92 0.00 0.00 -0.34 0.00 0.00 43.02 39.07 3jwv s PHE 372 CO -0.11 -3.73 0.00 0.41 -1.46 0.00 0.00 175.22 170.33 3jwv n GLY 373 N 3.99 0.98 3.72 13.12 0.00 -1.26 -5.02 105.19 120.72 3jwv n GLY 373 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 3jwv n GLY 373 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jwv s SER 374 N -3.03 3.62 0.23 1.61 1.04 -0.99 -4.78 113.70 111.40 3jwv s SER 374 Ca 0.00 1.69 -0.06 0.00 0.48 0.00 0.00 55.95 58.06 3jwv s SER 374 Cb 0.00 -2.34 0.40 0.00 0.10 0.00 0.00 66.02 64.17 3jwv s SER 374 CO 0.00 -2.58 1.73 0.50 0.98 0.00 0.00 173.24 173.87 3jwv h LYS 375 N -1.50 0.39 -0.63 4.02 3.64 -1.96 -0.18 116.57 120.34 3jwv h LYS 375 Ca -0.47 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 58.90 3jwv h LYS 375 Cb 1.27 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.96 3jwv h LYS 375 CO 0.52 0.26 0.41 0.00 -2.27 0.00 0.00 179.45 178.36 3jwv h ALA 376 N 1.51 0.81 0.38 5.00 0.00 -1.92 0.19 119.26 125.24 3jwv h ALA 376 Ca 0.38 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 3jwv h ALA 376 Cb 0.55 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3jwv h ALA 376 CO -0.39 0.20 -0.32 1.25 0.00 0.00 0.00 179.25 179.99 3jwv h HIS 377 N 0.83 -0.86 -0.89 0.00 -0.00 -1.63 -2.20 115.15 110.39 3jwv h HIS 377 Ca 0.24 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.60 3jwv h HIS 377 Cb -0.06 0.33 -0.04 0.00 -0.00 0.00 0.00 27.41 27.64 3jwv h HIS 377 CO -0.04 -0.47 0.53 0.52 -0.00 0.00 0.00 177.93 178.47 3jwv h MET 378 N -0.71 1.22 -0.53 5.26 2.07 -0.61 -1.91 114.93 119.72 3jwv h MET 378 Ca -0.03 -0.12 -0.07 0.00 -2.07 0.00 0.00 59.70 57.41 3jwv h MET 378 Cb 0.62 -0.25 -0.02 0.00 -1.87 0.00 0.00 31.60 30.08 3jwv h MET 378 CO -0.03 0.86 0.03 -0.44 1.07 0.00 0.00 176.91 178.41 3jwv h ASP 379 N 1.23 0.84 -0.04 1.22 3.32 -0.64 -1.78 116.42 120.58 3jwv h ASP 379 Ca 0.32 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 3jwv h ASP 379 Cb -0.04 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.29 3jwv h ASP 379 CO -0.06 0.88 0.01 -0.09 -1.72 0.00 0.00 179.24 178.26 3jwv h ARG 380 N 0.82 0.06 -0.42 3.56 9.65 -1.00 -0.77 114.38 126.27 3jwv h ARG 380 Ca 0.16 -0.01 0.09 0.00 -1.10 0.00 0.00 59.98 59.11 3jwv h ARG 380 Cb 0.44 -0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 28.93 3jwv h ARG 380 CO 0.02 0.27 -0.12 -0.07 2.80 0.00 0.00 179.97 182.87 3jwv h LEU 381 N -0.16 -0.43 -0.37 3.80 3.38 -1.25 0.19 115.31 120.48 3jwv h LEU 381 Ca 0.01 0.13 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 3jwv h LEU 381 Cb 0.24 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3jwv h LEU 381 CO 0.00 -0.15 -0.03 -0.08 0.09 0.00 0.00 178.44 178.27 3jwv h GLU 382 N -0.02 0.67 -0.88 1.13 4.81 -1.27 -0.25 114.58 118.78 3jwv h GLU 382 Ca 0.20 -0.23 0.05 0.00 -0.13 0.00 0.00 59.36 59.26 3jwv h GLU 382 Cb 0.33 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.60 3jwv h GLU 382 CO -0.44 0.79 0.57 1.49 -0.73 0.00 0.00 179.01 180.69 3jwv h GLU 383 N 0.48 1.00 -0.09 1.92 4.81 -0.90 0.13 114.58 121.92 3jwv h GLU 383 Ca 0.10 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.20 3jwv h GLU 383 Cb 0.51 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.66 3jwv h GLU 383 CO 0.02 0.66 -0.23 0.28 -0.73 0.00 0.00 179.01 179.02 3jwv h VAL 384 N 1.03 1.40 -0.29 0.32 2.07 -0.74 -1.19 116.25 118.86 3jwv h VAL 384 Ca 0.36 -1.55 0.07 0.00 0.82 0.00 0.00 66.70 66.40 3jwv h VAL 384 Cb 0.13 2.16 -0.07 0.00 -1.52 0.00 0.00 31.29 31.99 3jwv h VAL 384 CO -0.12 0.44 -0.15 -1.13 0.02 0.00 0.00 177.57 176.63 3jwv h ASN 385 N -0.13 -0.49 -0.84 0.57 -0.00 -0.87 0.16 115.58 113.98 3jwv h ASN 385 Ca -0.00 0.12 0.03 0.00 -0.00 0.00 0.00 56.30 56.44 3jwv h ASN 385 Cb 0.83 0.27 -0.05 0.00 -0.00 0.00 0.00 38.32 39.38 3jwv h ASN 385 CO 0.05 -0.18 0.55 0.11 -0.00 0.00 0.00 177.43 177.96 3jwv h LYS 386 N -0.11 1.03 -0.36 6.67 1.57 -0.74 -1.34 116.57 123.30 3jwv h LYS 386 Ca 0.15 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.72 3jwv h LYS 386 Cb 0.34 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 3jwv h LYS 386 CO -0.36 0.68 -0.36 1.49 -0.57 0.00 0.00 179.45 180.33 3jwv h GLU 387 N 1.07 0.84 -0.13 3.15 4.81 -0.38 -2.13 114.58 121.81 3jwv h GLU 387 Ca 0.32 -0.42 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 3jwv h GLU 387 Cb -0.02 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3jwv h GLU 387 CO -0.09 1.06 0.04 0.82 -0.73 0.00 0.00 179.01 180.11 3jwv h ILE 388 N 0.69 1.17 -0.45 2.32 2.04 -0.21 0.23 117.51 123.30 3jwv h ILE 388 Ca 0.06 -0.51 0.03 0.00 1.00 0.00 0.00 64.86 65.44 3jwv h ILE 388 Cb 0.92 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 3jwv h ILE 388 CO 0.09 0.15 0.30 1.05 0.00 0.00 0.00 178.15 179.73 3jwv h GLU 389 N 0.03 0.49 0.18 2.37 4.11 -1.25 0.36 114.58 120.87 3jwv h GLU 389 Ca 0.04 -0.03 -0.36 0.00 0.07 0.00 0.00 59.36 59.09 3jwv h GLU 389 Cb 0.20 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3jwv h GLU 389 CO -0.00 0.32 -1.81 1.03 0.07 0.00 0.00 179.01 178.62 3jwv h SER 390 N 0.50 0.58 -0.00 3.06 0.87 -1.13 -3.40 113.55 114.03 3jwv h SER 390 Ca 0.18 -0.95 0.00 0.00 -1.23 0.00 0.00 61.79 59.79 3jwv h SER 390 Cb 0.09 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 3jwv h SER 390 CO -0.04 1.81 -0.01 0.35 -0.53 0.00 0.00 176.83 178.41 3jwv n THR 391 N -3.57 0.00 -0.58 2.23 -2.24 0.77 -5.00 114.28 105.89 3jwv n THR 391 Ca -0.26 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 3jwv n THR 391 Cb 1.07 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 70.33 3jwv n THR 391 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3jwv n SER 392 N -0.05 0.00 -0.85 3.42 7.64 0.13 -4.93 113.62 118.97 3jwv n SER 392 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 3jwv n SER 392 Cb 0.03 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 3jwv n SER 392 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 3jwv n THR 393 N -2.00 0.00 -3.70 0.44 5.66 -1.26 -4.72 114.28 108.70 3jwv n THR 393 Ca 0.00 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.90 3jwv n THR 393 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 3jwv n THR 393 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 3jwv s TYR 394 N -3.87 -0.21 -0.13 1.09 -0.85 -1.26 -2.89 117.35 109.23 3jwv s TYR 394 Ca 0.00 -0.13 -0.04 0.00 -0.52 0.00 0.00 57.07 56.37 3jwv s TYR 394 Cb 0.00 0.49 -0.04 0.00 0.38 0.00 0.00 41.96 42.79 3jwv s TYR 394 CO 0.00 -0.97 0.03 -0.65 -1.52 0.00 0.00 175.55 172.44 3jwv s GLN 395 N -3.86 3.41 0.26 -3.49 -1.52 -1.26 -5.05 119.66 108.15 3jwv s GLN 395 Ca 0.08 -0.38 -0.29 0.00 -1.95 0.00 0.00 55.36 52.82 3jwv s GLN 395 Cb -0.02 -2.97 -0.09 0.00 -0.22 0.00 0.00 33.01 29.71 3jwv s GLN 395 CO -0.03 0.53 0.99 -0.51 -0.25 0.00 0.00 175.29 176.02 3jwv s LEU 396 N -0.37 4.58 0.80 2.90 1.43 -1.26 -5.05 118.68 121.70 3jwv s LEU 396 Ca 0.08 2.04 -0.12 0.00 -1.03 0.00 0.00 54.13 55.10 3jwv s LEU 396 Cb -0.12 -3.67 0.08 0.00 0.03 0.00 0.00 46.19 42.50 3jwv s LEU 396 CO 0.02 0.03 1.13 -0.54 0.23 0.00 0.00 176.35 177.22 3jwv s LYS 397 N -1.38 1.88 0.21 1.70 -0.14 -1.26 -4.84 119.74 115.91 3jwv s LYS 397 Ca 0.43 1.44 -0.10 0.00 -1.36 0.00 0.00 55.97 56.39 3jwv s LYS 397 Cb -0.27 -1.83 0.22 0.00 -1.68 0.00 0.00 37.83 34.27 3jwv s LYS 397 CO 0.34 -1.97 1.82 -0.44 -0.76 0.00 0.00 175.35 174.34 3jwv h ASP 398 N -1.07 0.60 -0.88 2.83 3.32 -1.99 -1.28 116.42 117.95 3jwv h ASP 398 Ca -0.45 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.62 3jwv h ASP 398 Cb 1.26 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.66 3jwv h ASP 398 CO 0.48 0.40 0.55 0.71 -1.72 0.00 0.00 179.24 179.65 3jwv h THR 399 N 0.73 1.24 -0.28 0.35 1.35 -2.00 -1.65 112.91 112.66 3jwv h THR 399 Ca 0.29 -0.50 -0.17 0.00 -0.55 0.00 0.00 66.41 65.48 3jwv h THR 399 Cb 0.14 -0.03 -0.00 0.00 -1.73 0.00 0.00 68.15 66.53 3jwv h THR 399 CO -0.16 0.25 -0.51 -0.33 -0.25 0.00 0.00 175.52 174.51 3jwv h GLU 400 N 1.21 0.79 -0.34 4.72 5.08 -1.79 -2.02 114.58 122.23 3jwv h GLU 400 Ca 0.32 -0.48 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3jwv h GLU 400 Cb -0.08 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3jwv h GLU 400 CO -0.06 1.11 0.19 1.25 -1.00 0.00 0.00 179.01 180.50 3jwv h LEU 401 N 0.61 0.42 0.30 1.33 5.85 -0.82 0.33 115.31 123.33 3jwv h LEU 401 Ca 0.02 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 3jwv h LEU 401 Cb 1.10 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.02 3jwv h LEU 401 CO 0.11 0.37 -0.15 0.40 -0.34 0.00 0.00 178.44 178.83 3jwv h ILE 402 N 0.43 0.72 -0.62 4.05 2.04 -1.29 -0.06 117.51 122.78 3jwv h ILE 402 Ca 0.12 -0.11 0.11 0.00 1.00 0.00 0.00 64.86 65.98 3jwv h ILE 402 Cb 0.04 0.78 -0.08 0.00 -0.74 0.00 0.00 36.82 36.82 3jwv h ILE 402 CO -0.02 0.02 0.18 0.22 0.00 0.00 0.00 178.15 178.55 3jwv h TYR 403 N -0.47 0.30 -0.37 1.37 3.20 -1.27 -1.37 116.97 118.37 3jwv h TYR 403 Ca -0.04 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.86 3jwv h TYR 403 Cb 0.35 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 3jwv h TYR 403 CO -0.04 0.02 0.23 0.78 -1.64 0.00 0.00 178.16 177.51 3jwv h GLY 404 N 0.33 0.53 1.02 1.82 0.00 0.00 -1.15 103.07 105.62 3jwv h GLY 404 Ca 0.32 -0.21 -0.09 0.00 0.00 0.00 0.00 47.33 47.35 3jwv h GLY 404 CO -0.37 0.21 -0.04 0.00 0.00 0.00 0.00 176.54 176.33 3jwv h ALA 405 N 1.11 0.66 -0.79 3.60 0.00 -0.62 -1.16 119.26 122.06 3jwv h ALA 405 Ca 0.13 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3jwv h ALA 405 Cb -0.02 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3jwv h ALA 405 CO -0.03 0.51 0.51 0.87 0.00 0.00 0.00 179.25 181.11 3jwv h LYS 406 N 0.74 1.05 -0.03 0.00 1.57 -1.15 -2.52 116.57 116.24 3jwv h LYS 406 Ca 0.13 -0.07 -0.16 0.00 -1.87 0.00 0.00 60.65 58.68 3jwv h LYS 406 Cb 0.57 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 3jwv h LYS 406 CO 0.03 0.71 -0.70 0.45 -0.57 0.00 0.00 179.45 179.38 3jwv h HIS 407 N 1.08 0.20 -0.61 -1.35 3.86 -0.92 -0.89 115.15 116.52 3jwv h HIS 407 Ca 0.29 -0.09 0.02 0.00 -1.16 0.00 0.00 60.37 59.43 3jwv h HIS 407 Cb -0.10 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.30 3jwv h HIS 407 CO -0.01 0.79 0.39 0.00 0.86 0.00 0.00 177.93 179.96 3jwv h ALA 408 N 1.18 0.78 0.07 2.45 0.00 -1.02 0.32 119.26 123.04 3jwv h ALA 408 Ca -0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3jwv h ALA 408 Cb 1.24 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3jwv h ALA 408 CO 0.10 0.16 -0.03 2.35 0.00 0.00 0.00 179.25 181.83 3jwv h TRP 409 N 0.78 -0.09 -0.88 0.00 7.01 -1.21 -2.52 115.95 119.05 3jwv h TRP 409 Ca 0.23 -0.00 0.22 0.00 2.11 0.00 0.00 58.89 61.45 3jwv h TRP 409 Cb -0.04 0.03 -0.05 0.00 -2.10 0.00 0.00 29.16 26.99 3jwv h TRP 409 CO -0.04 0.09 0.60 -0.09 -2.79 0.00 0.00 178.44 176.21 3jwv h ARG 410 N -0.26 0.24 -0.01 2.65 2.43 -0.74 -0.04 114.38 118.65 3jwv h ARG 410 Ca -0.01 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3jwv h ARG 410 Cb 0.22 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3jwv h ARG 410 CO 0.02 0.16 -0.13 0.09 -1.51 0.00 0.00 179.97 178.59 3jwv n ASN 411 N -4.43 0.87 -4.55 -3.80 3.02 0.11 -4.84 115.26 101.63 3jwv n ASN 411 Ca 0.18 -0.92 -0.39 0.00 -0.03 0.00 0.00 54.58 53.43 3jwv n ASN 411 Cb 0.78 0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.94 3jwv n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3jwv s ALA 412 N -2.35 2.50 0.53 5.41 0.00 -0.03 -4.69 121.76 123.13 3jwv s ALA 412 Ca 0.30 -1.56 0.32 0.00 0.00 0.00 0.00 51.96 51.02 3jwv s ALA 412 Cb 0.20 -4.39 1.80 0.00 0.00 0.00 0.00 23.12 20.73 3jwv s ALA 412 CO 0.45 -3.70 2.21 0.66 0.00 0.00 0.00 175.76 175.39 3jwv h SER 413 N 10.90 0.00 0.20 0.00 4.64 -1.88 -1.54 113.55 125.87 3jwv h SER 413 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3jwv h SER 413 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3jwv h SER 413 CO 1.31 0.04 -0.04 0.54 -0.87 0.00 0.00 176.83 177.80 3jwv n ARG 414 N -3.61 0.93 -3.47 4.77 1.74 -1.26 -0.90 116.66 114.86 3jwv n ARG 414 Ca -0.02 -0.26 -0.40 0.00 -0.77 0.00 0.00 57.85 56.40 3jwv n ARG 414 Cb 0.14 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 29.99 3jwv n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jwv n VAL 416 N 5.15 0.06 -0.27 0.00 3.14 -1.26 -3.96 118.33 121.19 3jwv n VAL 416 Ca -0.11 -0.03 0.07 0.00 -2.96 0.00 0.00 64.34 61.32 3jwv n VAL 416 Cb 0.50 -0.45 0.30 0.00 -1.06 0.00 0.00 33.84 33.14 3jwv n VAL 416 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3jwv n GLY 417 N 1.48 2.32 0.01 7.55 0.00 -1.26 -4.47 105.19 110.83 3jwv n GLY 417 Ca 0.07 -0.70 0.09 0.00 0.00 0.00 0.00 46.02 45.48 3jwv n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jwv n ARG 418 N 0.82 0.02 -0.27 1.61 1.74 -1.25 -2.42 116.66 116.90 3jwv n ARG 418 Ca 0.21 0.20 0.33 0.00 -0.77 0.00 0.00 57.85 57.82 3jwv n ARG 418 Cb 0.80 -1.53 0.74 0.00 -1.02 0.00 0.00 32.46 31.45 3jwv n ARG 418 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3jwv h ILE 419 N 0.00 0.44 -0.05 0.55 2.10 -1.89 -0.66 117.51 118.00 3jwv h ILE 419 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3jwv h ILE 419 Cb 0.33 0.45 0.00 0.00 -1.09 0.00 0.00 36.82 36.51 3jwv h ILE 419 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 3jwv n GLN 420 N -4.18 1.56 -0.19 2.19 1.13 -1.02 -4.61 117.38 112.27 3jwv n GLN 420 Ca 0.23 -0.83 0.18 0.00 -1.94 0.00 0.00 57.00 54.64 3jwv n GLN 420 Cb 1.15 -1.45 0.53 0.00 0.11 0.00 0.00 30.24 30.58 3jwv n GLN 420 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 3jwv h TRP 421 N 1.89 0.46 0.00 1.08 5.08 -1.34 -0.76 115.95 122.36 3jwv h TRP 421 Ca 0.00 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.98 3jwv h TRP 421 Cb 0.41 -0.14 0.00 0.00 -3.00 0.00 0.00 29.16 26.42 3jwv h TRP 421 CO 0.03 0.15 -0.14 -1.13 -1.28 0.00 0.00 178.44 176.06 3jwv n SER 422 N -4.47 0.32 -4.23 0.11 3.41 -1.26 -4.24 113.62 103.24 3jwv n SER 422 Ca 0.17 0.35 -0.42 0.00 -0.26 0.00 0.00 58.87 58.70 3jwv n SER 422 Cb 0.63 -0.37 -0.07 0.00 -0.26 0.00 0.00 64.21 64.14 3jwv n SER 422 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3jwv s LYS 423 N -3.03 2.82 -0.10 4.33 1.02 -0.29 -4.99 119.74 119.50 3jwv s LYS 423 Ca 0.12 -2.06 -0.04 0.00 0.02 0.00 0.00 55.97 54.01 3jwv s LYS 423 Cb 0.17 -4.06 0.05 0.00 -0.52 0.00 0.00 37.83 33.47 3jwv s LYS 423 CO 0.59 -1.23 0.20 -1.17 -0.92 0.00 0.00 175.35 172.82 3jwv s LEU 424 N 0.86 0.01 -0.19 3.17 2.96 -1.26 -4.69 118.68 119.54 3jwv s LEU 424 Ca 0.10 0.43 -0.28 0.00 -0.22 0.00 0.00 54.13 54.16 3jwv s LEU 424 Cb -0.22 0.47 -0.00 0.00 0.50 0.00 0.00 46.19 46.93 3jwv s LEU 424 CO -0.03 -0.22 0.98 -1.58 -1.32 0.00 0.00 176.35 174.18 3jwv s GLN 425 N 2.07 4.30 -0.23 1.98 2.00 -0.67 -4.97 119.66 124.15 3jwv s GLN 425 Ca -0.00 1.28 -0.07 0.00 -2.00 0.00 0.00 55.36 54.56 3jwv s GLN 425 Cb -0.12 -3.60 -0.03 0.00 0.80 0.00 0.00 33.01 30.06 3jwv s GLN 425 CO -0.07 -0.49 0.05 0.08 -0.50 0.00 0.00 175.29 174.37 3jwv s VAL 426 N 2.68 4.30 -0.31 1.34 1.01 -1.26 -1.16 120.40 126.99 3jwv s VAL 426 Ca 0.43 -0.18 -0.09 0.00 0.00 0.00 0.00 61.98 62.14 3jwv s VAL 426 Cb -0.16 -2.98 -0.00 0.00 0.00 0.00 0.00 36.38 33.23 3jwv s VAL 426 CO 0.10 0.38 0.15 -0.36 0.00 0.00 0.00 175.10 175.37 3jwv s PHE 427 N 1.26 3.18 -0.53 5.22 0.08 0.69 -4.97 117.98 122.89 3jwv s PHE 427 Ca 0.04 -0.63 -0.28 0.00 0.12 0.00 0.00 56.93 56.18 3jwv s PHE 427 Cb -0.15 -2.35 0.03 0.00 -0.57 0.00 0.00 43.02 39.98 3jwv s PHE 427 CO 0.03 -0.48 1.13 0.34 -0.10 0.00 0.00 175.22 176.14 3jwv s ASP 428 N 1.60 6.51 -0.32 1.36 3.68 -1.26 -1.21 116.67 127.02 3jwv s ASP 428 Ca 0.04 0.19 0.08 0.00 2.13 0.00 0.00 52.55 54.99 3jwv s ASP 428 Cb -0.17 -2.53 0.50 0.00 -1.45 0.00 0.00 42.92 39.26 3jwv s ASP 428 CO 0.06 -1.35 1.48 0.00 0.13 0.00 0.00 175.17 175.48 3jwv n ALA 429 N 8.07 4.56 0.63 3.66 0.00 0.23 -4.68 120.51 132.97 3jwv n ALA 429 Ca 0.09 -3.25 0.11 0.00 0.00 0.00 0.00 53.44 50.39 3jwv n ALA 429 Cb 0.49 -0.76 0.45 0.00 0.00 0.00 0.00 19.45 19.62 3jwv n ALA 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3jwv n ARG 430 N -1.07 0.08 -0.03 0.00 1.74 -1.10 -1.97 116.66 114.31 3jwv n ARG 430 Ca 0.37 0.22 0.12 0.00 -0.77 0.00 0.00 57.85 57.78 3jwv n ARG 430 Cb 1.02 -1.63 0.54 0.00 -1.02 0.00 0.00 32.46 31.37 3jwv n ARG 430 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3jwv n ASP 431 N -1.78 1.04 -4.77 0.55 5.68 -1.26 -4.50 116.55 111.52 3jwv n ASP 431 Ca 0.04 -1.48 -0.39 0.00 -0.50 0.00 0.00 54.79 52.46 3jwv n ASP 431 Cb 0.27 -0.04 -0.03 0.00 -1.14 0.00 0.00 41.12 40.18 3jwv n ASP 431 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3jwv n THR 433 N 0.65 0.00 -4.18 0.00 -2.24 -1.26 -4.77 114.28 102.48 3jwv n THR 433 Ca 0.01 -0.11 -0.11 0.00 -2.27 0.00 0.00 64.05 61.57 3jwv n THR 433 Cb 0.45 0.56 -0.10 0.00 -2.10 0.00 0.00 70.33 69.14 3jwv n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3jwv s THR 434 N -0.97 0.48 0.25 4.28 -4.23 -1.26 -4.65 115.64 109.54 3jwv s THR 434 Ca 0.00 -1.93 -0.03 0.00 -1.18 0.00 0.00 61.69 58.55 3jwv s THR 434 Cb 0.00 -1.90 0.13 0.00 1.34 0.00 0.00 72.50 72.08 3jwv s THR 434 CO 0.00 -0.66 1.78 0.00 -0.54 0.00 0.00 174.62 175.20 3jwv h ALA 435 N 2.87 1.11 -0.59 3.99 0.00 -1.90 0.87 119.26 125.62 3jwv h ALA 435 Ca -0.36 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.36 3jwv h ALA 435 Cb 1.18 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 3jwv h ALA 435 CO 0.63 0.58 0.33 0.45 0.00 0.00 0.00 179.25 181.25 3jwv h HIS 436 N 0.84 0.62 -0.90 0.00 -0.00 -1.96 0.54 115.15 114.30 3jwv h HIS 436 Ca 0.18 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.56 3jwv h HIS 436 Cb 0.37 -0.19 -0.04 0.00 -0.00 0.00 0.00 27.41 27.54 3jwv h HIS 436 CO 0.02 0.33 0.53 0.78 -0.00 0.00 0.00 177.93 179.59 3jwv h GLY 437 N 0.65 1.31 0.96 2.45 0.00 -1.70 -2.06 103.07 104.68 3jwv h GLY 437 Ca 0.25 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 3jwv h GLY 437 CO -0.13 0.54 0.16 -0.33 0.00 0.00 0.00 176.54 176.78 3jwv h MET 438 N 1.24 0.40 -0.53 4.80 0.00 -0.27 -1.96 114.93 118.61 3jwv h MET 438 Ca 0.32 -0.04 0.07 0.00 0.00 0.00 0.00 59.70 60.04 3jwv h MET 438 Cb -0.03 -0.08 -0.06 0.00 0.00 0.00 0.00 31.60 31.43 3jwv h MET 438 CO -0.06 0.33 0.22 0.35 0.00 0.00 0.00 176.91 177.76 3jwv h PHE 439 N 0.36 0.39 -0.07 -0.22 3.04 -0.57 -1.19 116.94 118.67 3jwv h PHE 439 Ca 0.10 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.08 3jwv h PHE 439 Cb 0.05 -0.10 -0.00 0.00 2.56 0.00 0.00 35.95 38.45 3jwv h PHE 439 CO -0.04 0.15 0.04 -0.97 -2.02 0.00 0.00 178.31 175.48 3jwv h ASN 440 N 0.42 0.08 -0.91 0.41 -1.24 -1.19 -0.62 115.58 112.54 3jwv h ASN 440 Ca 0.25 -0.04 0.10 0.00 0.71 0.00 0.00 56.30 57.33 3jwv h ASN 440 Cb 0.24 -0.02 -0.07 0.00 0.73 0.00 0.00 38.32 39.20 3jwv h ASN 440 CO -0.23 0.09 0.59 1.88 -1.29 0.00 0.00 177.43 178.47 3jwv h TYR 441 N 0.07 0.97 -0.14 0.67 -1.99 -1.01 -2.13 116.97 113.40 3jwv h TYR 441 Ca 0.03 0.03 -0.22 0.00 2.00 0.00 0.00 58.73 60.56 3jwv h TYR 441 Cb 0.02 -0.31 0.01 0.00 2.00 0.00 0.00 36.73 38.45 3jwv h TYR 441 CO -0.06 0.43 -0.78 0.82 -0.00 0.00 0.00 178.16 178.57 3jwv h ILE 442 N 0.89 1.29 -0.32 -2.88 2.04 -0.97 -1.23 117.51 116.32 3jwv h ILE 442 Ca 0.43 -2.00 0.00 0.00 1.00 0.00 0.00 64.86 64.30 3jwv h ILE 442 Cb 0.45 2.00 -0.02 0.00 -0.74 0.00 0.00 36.82 38.51 3jwv h ILE 442 CO -0.19 0.63 0.21 0.00 0.00 0.00 0.00 178.15 178.80 3jwv h ASN 444 N 0.43 0.87 0.09 0.00 2.35 -1.27 -0.99 115.58 117.06 3jwv h ASN 444 Ca 0.12 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3jwv h ASN 444 Cb -0.04 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.11 3jwv h ASN 444 CO -0.03 0.68 -0.04 -0.74 -1.65 0.00 0.00 177.43 175.65 3jwv h HIS 445 N 0.99 -0.12 -0.80 1.19 2.76 -0.74 0.61 115.15 119.05 3jwv h HIS 445 Ca 0.26 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.43 3jwv h HIS 445 Cb -0.01 0.04 -0.04 0.00 1.55 0.00 0.00 27.41 28.95 3jwv h HIS 445 CO 0.01 0.03 0.52 0.28 -1.30 0.00 0.00 177.93 177.46 3jwv h VAL 446 N -0.23 1.21 -0.14 5.26 2.07 -0.79 0.18 116.25 123.81 3jwv h VAL 446 Ca -0.01 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 3jwv h VAL 446 Cb 0.19 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.00 3jwv h VAL 446 CO 0.02 0.20 -0.03 0.50 0.02 0.00 0.00 177.57 178.28 3jwv h LYS 447 N 1.09 0.27 -0.34 1.57 3.64 -1.01 -0.42 116.57 121.35 3jwv h LYS 447 Ca 0.29 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 3jwv h LYS 447 Cb -0.11 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 3jwv h LYS 447 CO -0.06 0.55 0.19 -0.92 -2.27 0.00 0.00 179.45 176.94 3jwv h TYR 448 N -0.04 0.47 -0.48 1.91 3.20 -0.55 -1.81 116.97 119.67 3jwv h TYR 448 Ca 0.04 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.81 3jwv h TYR 448 Cb 0.46 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 3jwv h TYR 448 CO 0.05 0.37 -0.03 0.00 -1.64 0.00 0.00 178.16 176.92 3jwv h ALA 449 N 1.06 0.65 0.09 1.82 0.00 -0.62 -3.15 119.26 119.11 3jwv h ALA 449 Ca 0.12 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3jwv h ALA 449 Cb 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3jwv h ALA 449 CO -0.02 0.48 -0.04 1.15 0.00 0.00 0.00 179.25 180.82 3jwv h THR 450 N 0.72 1.08 -6.33 0.00 2.02 -1.03 -0.16 112.91 109.22 3jwv h THR 450 Ca 0.13 -0.62 -0.48 0.00 0.77 0.00 0.00 66.41 66.21 3jwv h THR 450 Cb 0.55 1.48 -0.04 0.00 -1.74 0.00 0.00 68.15 68.40 3jwv h THR 450 CO 0.03 0.15 -0.80 -3.20 0.37 0.00 0.00 175.52 172.08 3jwv n ASN 451 N -5.01 -3.42 -2.68 4.18 5.15 -0.69 -1.38 115.26 111.42 3jwv n ASN 451 Ca -0.08 -0.84 -0.17 0.00 -0.60 0.00 0.00 54.58 52.88 3jwv n ASN 451 Cb 0.19 -3.70 -0.00 0.00 -0.53 0.00 0.00 39.78 35.74 3jwv n ASN 451 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3jwv n LYS 452 N -4.54 -2.71 0.00 1.20 5.02 -1.26 -2.03 118.16 113.84 3jwv n LYS 452 Ca -0.06 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 56.93 3jwv n LYS 452 Cb 0.57 -5.37 0.00 0.00 -0.02 0.00 0.00 35.03 30.21 3jwv n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3jwv n GLY 453 N -1.01 2.77 3.11 0.72 0.00 -0.48 -4.94 105.19 105.37 3jwv n GLY 453 Ca -0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 3jwv n GLY 453 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3jwv n ASN 454 N 0.00 5.52 -4.76 1.61 4.05 -0.86 -1.11 115.26 119.72 3jwv n ASN 454 Ca 0.00 -3.15 -0.39 0.00 0.45 0.00 0.00 54.58 51.49 3jwv n ASN 454 Cb 0.00 -1.43 0.03 0.00 1.23 0.00 0.00 39.78 39.60 3jwv n ASN 454 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3jwv s LEU 455 N -0.58 4.01 -0.02 1.20 1.02 -1.24 -4.58 118.68 118.48 3jwv s LEU 455 Ca 0.37 2.85 0.04 0.00 0.02 0.00 0.00 54.13 57.41 3jwv s LEU 455 Cb 0.03 -4.08 -0.01 0.00 0.02 0.00 0.00 46.19 42.15 3jwv s LEU 455 CO 0.02 -1.34 -0.14 -0.13 0.02 0.00 0.00 176.35 174.79 3jwv s ARG 456 N -2.64 1.25 0.27 1.70 0.52 -0.07 -4.99 118.95 114.99 3jwv s ARG 456 Ca 0.65 -0.48 -0.29 0.00 -0.52 0.00 0.00 55.73 55.09 3jwv s ARG 456 Cb -0.42 -1.16 -0.10 0.00 0.52 0.00 0.00 34.95 33.79 3jwv s ARG 456 CO 0.53 0.24 1.26 -1.12 0.02 0.00 0.00 175.30 176.23 3jwv s SER 457 N -0.12 6.94 0.07 0.23 0.01 -1.26 -4.48 113.70 115.09 3jwv s SER 457 Ca 0.01 2.48 -0.18 0.00 1.31 0.00 0.00 55.95 59.57 3jwv s SER 457 Cb -0.08 -2.63 0.04 0.00 0.21 0.00 0.00 66.02 63.56 3jwv s SER 457 CO 0.00 -0.44 0.43 0.00 0.41 0.00 0.00 173.24 173.64 3jwv s ALA 458 N -0.68 -1.04 0.01 1.44 0.00 -0.98 -1.66 121.76 118.85 3jwv s ALA 458 Ca 0.51 0.23 -0.00 0.00 0.00 0.00 0.00 51.96 52.69 3jwv s ALA 458 Cb -0.37 0.48 -0.01 0.00 0.00 0.00 0.00 23.12 23.22 3jwv s ALA 458 CO 0.45 -0.53 -0.01 -1.50 0.00 0.00 0.00 175.76 174.16 3jwv s ILE 459 N -2.95 0.06 -0.11 0.00 2.07 -0.31 -1.03 121.20 118.92 3jwv s ILE 459 Ca -0.02 -0.50 0.03 0.00 -1.41 0.00 0.00 60.65 58.75 3jwv s ILE 459 Cb 0.00 -0.16 0.00 0.00 0.13 0.00 0.00 42.46 42.44 3jwv s ILE 459 CO -0.06 -0.28 -0.23 -0.89 -1.91 0.00 0.00 174.94 171.58 3jwv s THR 460 N -0.81 2.01 -0.32 4.00 2.01 -0.45 -0.23 115.64 121.86 3jwv s THR 460 Ca -0.09 -0.98 -0.02 0.00 0.31 0.00 0.00 61.69 60.92 3jwv s THR 460 Cb -0.06 -1.75 0.06 0.00 0.01 0.00 0.00 72.50 70.76 3jwv s THR 460 CO -0.00 0.55 0.03 -0.63 -0.69 0.00 0.00 174.62 173.87 3jwv s ILE 461 N 0.51 3.00 0.80 1.82 1.01 -0.35 -2.93 121.20 125.06 3jwv s ILE 461 Ca -0.15 -1.50 -0.11 0.00 0.00 0.00 0.00 60.65 58.88 3jwv s ILE 461 Cb -0.17 -2.79 0.08 0.00 0.01 0.00 0.00 42.46 39.60 3jwv s ILE 461 CO 0.05 -0.20 1.16 -0.36 0.00 0.00 0.00 174.94 175.59 3jwv s PHE 462 N 1.23 2.86 0.51 3.97 0.08 -0.71 -0.60 117.98 125.32 3jwv s PHE 462 Ca -0.03 0.66 -0.23 0.00 0.12 0.00 0.00 56.93 57.46 3jwv s PHE 462 Cb -0.20 -3.48 -0.06 0.00 -0.57 0.00 0.00 43.02 38.71 3jwv s PHE 462 CO -0.02 -1.76 1.30 -2.30 -0.10 0.00 0.00 175.22 172.34 3jwv n PRO 463 N -3.27 1.71 -1.39 0.24 -0.02 -1.25 -4.71 135.00 126.31 3jwv n PRO 463 Ca 0.08 0.62 -0.32 0.00 -2.02 0.00 0.00 63.50 61.87 3jwv n PRO 463 Cb 0.61 -2.48 0.08 0.00 -0.02 0.00 0.00 33.50 31.68 3jwv n PRO 463 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3jwv s GLN 464 N -2.66 2.39 0.43 -0.52 -2.07 -1.26 -4.57 119.66 111.39 3jwv s GLN 464 Ca 0.69 1.23 -0.25 0.00 -1.82 0.00 0.00 55.36 55.20 3jwv s GLN 464 Cb -0.44 -1.91 -0.10 0.00 -1.09 0.00 0.00 33.01 29.47 3jwv s GLN 464 CO 0.52 -1.55 1.29 -2.13 -1.32 0.00 0.00 175.29 172.10 3jwv n ARG 465 N -3.24 1.97 0.00 9.60 0.63 0.13 -4.91 116.66 120.83 3jwv n ARG 465 Ca 0.09 0.70 0.00 0.00 -0.92 0.00 0.00 57.85 57.72 3jwv n ARG 465 Cb 0.53 -2.41 0.00 0.00 0.45 0.00 0.00 32.46 31.02 3jwv n ARG 465 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3jwv n THR 466 N -0.21 0.00 1.25 5.15 -2.24 -1.26 -4.77 114.28 112.20 3jwv n THR 466 Ca 0.06 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.97 3jwv n THR 466 Cb 0.40 -0.18 0.39 0.00 -2.10 0.00 0.00 70.33 68.84 3jwv n THR 466 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3jwv n ASP 467 N -0.08 1.96 0.00 3.42 3.85 -1.26 -4.88 116.55 119.56 3jwv n ASP 467 Ca 0.00 -1.68 0.00 0.00 -0.71 0.00 0.00 54.79 52.40 3jwv n ASP 467 Cb 0.00 -0.05 0.00 0.00 -1.35 0.00 0.00 41.12 39.72 3jwv n ASP 467 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3jwv n GLY 468 N 1.22 1.55 0.92 6.12 0.00 -1.26 -4.84 105.19 108.90 3jwv n GLY 468 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.29 3jwv n GLY 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jwv n LYS 469 N -2.00 2.22 -1.00 1.61 5.02 -1.26 -4.56 118.16 118.20 3jwv n LYS 469 Ca 0.00 -2.04 0.04 0.00 -2.02 0.00 0.00 58.31 54.29 3jwv n LYS 469 Cb 0.00 -1.41 0.07 0.00 -0.02 0.00 0.00 35.03 33.67 3jwv n LYS 469 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3jwv n HIS 470 N 1.14 0.00 -1.86 2.13 8.25 -1.26 -4.39 115.22 119.22 3jwv n HIS 470 Ca 0.15 -0.68 -0.41 0.00 -0.26 0.00 0.00 57.72 56.52 3jwv n HIS 470 Cb 0.51 -0.15 -0.01 0.00 1.12 0.00 0.00 29.99 31.45 3jwv n HIS 470 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3jwv s ASP 471 N -2.18 6.45 -0.03 0.41 -0.00 -1.26 -2.78 116.67 117.28 3jwv s ASP 471 Ca 0.29 2.93 -0.24 0.00 -0.00 0.00 0.00 52.55 55.52 3jwv s ASP 471 Cb 0.31 -2.65 -0.04 0.00 -0.00 0.00 0.00 42.92 40.53 3jwv s ASP 471 CO -0.10 -0.82 0.73 -0.36 -0.00 0.00 0.00 175.17 174.62 3jwv s PHE 472 N -0.66 3.63 -0.01 4.23 0.40 -1.26 -0.80 117.98 123.52 3jwv s PHE 472 Ca 0.56 1.34 -0.01 0.00 -0.60 0.00 0.00 56.93 58.22 3jwv s PHE 472 Cb -0.45 -2.82 0.00 0.00 0.51 0.00 0.00 43.02 40.26 3jwv s PHE 472 CO 0.55 0.15 0.02 1.03 0.70 0.00 0.00 175.22 177.66 3jwv s ARG 473 N 0.53 0.05 -0.36 0.44 1.81 -0.20 -3.29 118.95 117.92 3jwv s ARG 473 Ca 0.38 -0.02 -0.17 0.00 -1.72 0.00 0.00 55.73 54.21 3jwv s ARG 473 Cb -0.19 0.02 -0.00 0.00 -0.45 0.00 0.00 34.95 34.33 3jwv s ARG 473 CO 0.20 -0.01 0.43 0.08 -0.68 0.00 0.00 175.30 175.32 3jwv s VAL 474 N -0.11 5.10 0.32 3.52 1.01 -1.26 -1.29 120.40 127.69 3jwv s VAL 474 Ca -0.01 0.08 0.14 0.00 0.00 0.00 0.00 61.98 62.19 3jwv s VAL 474 Cb -0.01 -3.92 0.09 0.00 0.00 0.00 0.00 36.38 32.54 3jwv s VAL 474 CO -0.00 -0.20 1.78 -0.50 0.00 0.00 0.00 175.10 176.18 3jwv h TRP 475 N 8.52 0.00 -3.99 5.22 4.06 -1.40 -3.42 115.95 124.94 3jwv h TRP 475 Ca -0.28 0.00 -0.54 0.00 2.06 0.00 0.00 58.89 60.13 3jwv h TRP 475 Cb 1.13 0.00 0.11 0.00 -1.00 0.00 0.00 29.16 29.40 3jwv h TRP 475 CO 0.69 0.41 0.66 -0.80 -3.56 0.00 0.00 178.44 175.84 3jwv s ASN 476 N -6.77 5.91 0.14 -3.49 -0.87 -1.26 -4.92 114.94 103.68 3jwv s ASN 476 Ca -0.02 2.81 0.03 0.00 -1.57 0.00 0.00 52.86 54.11 3jwv s ASN 476 Cb 0.13 -2.65 -0.12 0.00 -0.02 0.00 0.00 41.25 38.60 3jwv s ASN 476 CO 0.72 -1.14 1.31 0.77 -2.57 0.00 0.00 177.10 176.18 3jwv h SER 477 N 2.28 0.19 -4.33 -1.22 4.64 -1.90 -3.35 113.55 109.86 3jwv h SER 477 Ca -0.50 -0.18 -0.42 0.00 -0.47 0.00 0.00 61.79 60.22 3jwv h SER 477 Cb 1.26 -0.06 -0.20 0.00 -0.31 0.00 0.00 62.40 63.09 3jwv h SER 477 CO 0.61 1.06 -0.77 -1.10 -0.87 0.00 0.00 176.83 175.75 3jwv s GLN 478 N -2.94 0.90 0.27 4.77 -0.21 -1.26 -1.18 119.66 120.01 3jwv s GLN 478 Ca -0.02 -1.06 -0.03 0.00 0.02 0.00 0.00 55.36 54.27 3jwv s GLN 478 Cb 0.10 -0.87 0.39 0.00 1.00 0.00 0.00 33.01 33.63 3jwv s GLN 478 CO 0.83 0.18 1.90 -0.07 -2.12 0.00 0.00 175.29 176.02 3jwv h LEU 479 N 4.01 1.05 -7.98 2.90 3.38 -1.32 -3.40 115.31 113.95 3jwv h LEU 479 Ca -0.41 -0.00 -0.61 0.00 0.09 0.00 0.00 57.88 56.95 3jwv h LEU 479 Cb 1.19 -0.23 -0.35 0.00 0.09 0.00 0.00 40.66 41.36 3jwv h LEU 479 CO 0.44 0.70 -0.84 -0.63 0.09 0.00 0.00 178.44 178.20 3jwv s ILE 480 N -6.03 1.61 0.11 1.22 1.01 -1.26 -4.87 121.20 113.00 3jwv s ILE 480 Ca -0.12 -0.69 -0.24 0.00 0.00 0.00 0.00 60.65 59.60 3jwv s ILE 480 Cb 0.19 -1.48 0.07 0.00 0.01 0.00 0.00 42.46 41.25 3jwv s ILE 480 CO 0.81 0.46 0.59 -0.13 0.00 0.00 0.00 174.94 176.68 3jwv s ARG 481 N 1.19 1.21 0.08 2.79 0.52 -1.26 -4.85 118.95 118.63 3jwv s ARG 481 Ca -0.01 -0.35 -0.10 0.00 -0.52 0.00 0.00 55.73 54.74 3jwv s ARG 481 Cb -0.14 0.56 -0.06 0.00 0.52 0.00 0.00 34.95 35.83 3jwv s ARG 481 CO -0.06 -0.49 0.41 0.71 0.02 0.00 0.00 175.30 175.89 3jwv s TYR 482 N -3.23 3.59 0.70 -0.53 1.51 -1.26 -0.71 117.35 117.42 3jwv s TYR 482 Ca -0.01 0.82 -0.16 0.00 -1.01 0.00 0.00 57.07 56.71 3jwv s TYR 482 Cb -0.01 -2.18 0.02 0.00 -0.11 0.00 0.00 41.96 39.68 3jwv s TYR 482 CO -0.08 0.51 1.20 0.00 -1.11 0.00 0.00 175.55 176.08 3jwv s ALA 483 N -1.39 2.22 -0.04 3.71 0.00 0.73 -4.43 121.76 122.56 3jwv s ALA 483 Ca 0.33 0.89 0.04 0.00 0.00 0.00 0.00 51.96 53.22 3jwv s ALA 483 Cb -0.14 -3.46 -0.00 0.00 0.00 0.00 0.00 23.12 19.52 3jwv s ALA 483 CO 0.18 -1.71 -0.15 0.20 0.00 0.00 0.00 175.76 174.28 3jwv s GLY 484 N -1.98 0.81 -0.10 0.00 0.00 -1.22 -1.28 107.32 103.54 3jwv s GLY 484 Ca 0.75 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.88 3jwv s GLY 484 CO 0.43 -0.29 -0.09 -0.19 0.00 0.00 0.00 173.10 172.95 3jwv s TYR 485 N 0.06 1.50 -0.17 1.90 1.51 0.19 -4.22 117.35 118.12 3jwv s TYR 485 Ca -0.03 -0.70 -0.24 0.00 -1.01 0.00 0.00 57.07 55.08 3jwv s TYR 485 Cb -0.10 -1.20 -0.02 0.00 -0.11 0.00 0.00 41.96 40.53 3jwv s TYR 485 CO 0.02 -0.45 0.78 0.21 -1.11 0.00 0.00 175.55 174.99 3jwv s LYS 486 N 1.40 4.28 0.45 -0.62 2.20 -1.26 -0.17 119.74 126.03 3jwv s LYS 486 Ca -0.01 0.92 -0.06 0.00 -0.36 0.00 0.00 55.97 56.47 3jwv s LYS 486 Cb -0.13 -3.57 -0.04 0.00 -1.51 0.00 0.00 37.83 32.58 3jwv s LYS 486 CO -0.05 -0.29 0.76 -0.65 -0.36 0.00 0.00 175.35 174.76 3jwv s GLN 487 N 2.03 3.58 0.53 4.03 -1.52 0.23 -4.99 119.66 123.55 3jwv s GLN 487 Ca 0.36 0.21 0.19 0.00 -1.95 0.00 0.00 55.36 54.17 3jwv s GLN 487 Cb -0.16 -2.41 1.38 0.00 -0.22 0.00 0.00 33.01 31.60 3jwv s GLN 487 CO 0.12 -0.14 2.16 -1.00 -0.25 0.00 0.00 175.29 176.18 3jwv h PRO 488 N 0.49 0.00 0.00 2.91 0.13 -1.97 -1.49 132.00 132.07 3jwv h PRO 488 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3jwv h PRO 488 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3jwv h PRO 488 CO 0.62 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.99 3jwv n ASP 489 N -4.40 0.00 0.00 1.44 3.85 -1.26 -4.89 116.55 111.30 3jwv n ASP 489 Ca -0.02 -0.78 0.00 0.00 -0.71 0.00 0.00 54.79 53.27 3jwv n ASP 489 Cb 0.12 -0.04 0.00 0.00 -1.35 0.00 0.00 41.12 39.85 3jwv n ASP 489 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3jwv n GLY 490 N 0.82 0.95 3.83 6.12 0.00 -0.56 -5.05 105.19 111.29 3jwv n GLY 490 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 3jwv n GLY 490 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jwv s SER 491 N -2.03 5.04 -0.06 1.61 1.04 -1.26 -4.78 113.70 113.26 3jwv s SER 491 Ca 0.00 1.33 0.05 0.00 0.48 0.00 0.00 55.95 57.81 3jwv s SER 491 Cb 0.00 -2.13 -0.02 0.00 0.10 0.00 0.00 66.02 63.98 3jwv s SER 491 CO 0.00 -1.63 -0.22 -0.89 0.98 0.00 0.00 173.24 171.49 3jwv s THR 492 N -3.19 2.37 -0.21 2.02 2.01 -1.26 -0.60 115.64 116.78 3jwv s THR 492 Ca 0.59 -0.96 -0.09 0.00 0.31 0.00 0.00 61.69 61.54 3jwv s THR 492 Cb -0.13 -1.89 -0.05 0.00 0.01 0.00 0.00 72.50 70.44 3jwv s THR 492 CO 0.54 0.57 0.12 -0.22 -0.69 0.00 0.00 174.62 174.94 3jwv s LEU 493 N -0.28 4.06 0.00 4.42 2.96 0.76 -4.92 118.68 125.69 3jwv s LEU 493 Ca 0.00 0.15 0.00 0.00 -0.22 0.00 0.00 54.13 54.06 3jwv s LEU 493 Cb -0.13 -2.06 0.00 0.00 0.50 0.00 0.00 46.19 44.51 3jwv s LEU 493 CO 0.03 0.15 0.00 0.61 -1.32 0.00 0.00 176.35 175.81 3jwv n GLY 494 N 3.75 -0.05 3.54 7.98 0.00 -1.26 0.57 105.19 119.72 3jwv n GLY 494 Ca -0.16 -1.24 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 3jwv n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jwv s ASP 495 N -4.00 6.34 0.59 1.61 -1.08 -0.40 -4.79 116.67 114.93 3jwv s ASP 495 Ca 0.00 -0.17 0.32 0.00 -0.52 0.00 0.00 52.55 52.18 3jwv s ASP 495 Cb 0.00 -2.30 1.85 0.00 -1.46 0.00 0.00 42.92 41.01 3jwv s ASP 495 CO 0.00 -0.65 2.23 -0.65 0.52 0.00 0.00 175.17 176.62 3jwv h PRO 496 N 8.67 0.00 0.00 4.34 0.11 -1.81 -1.78 132.00 141.54 3jwv h PRO 496 Ca -0.26 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.84 3jwv h PRO 496 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3jwv h PRO 496 CO 0.84 0.03 -0.02 0.00 -0.21 0.00 0.00 178.00 178.64 3jwv h ALA 497 N 1.97 1.05 -0.24 -0.75 0.00 -1.93 -3.08 119.26 116.30 3jwv h ALA 497 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3jwv h ALA 497 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3jwv h ALA 497 CO 0.00 0.03 0.00 0.09 0.00 0.00 0.00 179.25 179.37 3jwv n ASN 498 N -3.19 3.25 0.02 0.00 3.02 -0.67 -4.72 115.26 112.97 3jwv n ASN 498 Ca -0.01 -2.61 -0.10 0.00 -0.03 0.00 0.00 54.58 51.83 3jwv n ASN 498 Cb 0.19 -0.38 -0.04 0.00 -0.61 0.00 0.00 39.78 38.94 3jwv n ASN 498 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3jwv h VAL 499 N 1.53 0.60 -0.43 2.41 2.07 -1.63 0.30 116.25 121.10 3jwv h VAL 499 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 3jwv h VAL 499 Cb 1.08 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 3jwv h VAL 499 CO 0.11 0.00 0.13 -0.61 0.02 0.00 0.00 177.57 177.22 3jwv h GLN 500 N -0.23 0.67 -0.46 1.57 4.15 -1.86 -0.81 115.11 118.14 3jwv h GLN 500 Ca 0.07 -0.15 -0.04 0.00 0.77 0.00 0.00 58.65 59.30 3jwv h GLN 500 Cb 0.33 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 3jwv h GLN 500 CO -0.20 0.66 0.12 0.35 -1.93 0.00 0.00 178.83 177.83 3jwv h PHE 501 N 0.56 0.78 -0.59 3.99 3.57 -1.88 -1.94 116.94 121.42 3jwv h PHE 501 Ca 0.14 -0.09 0.10 0.00 3.53 0.00 0.00 57.97 61.65 3jwv h PHE 501 Cb 0.27 -0.22 -0.08 0.00 2.79 0.00 0.00 35.95 38.71 3jwv h PHE 501 CO 0.01 0.71 0.16 1.15 -2.23 0.00 0.00 178.31 178.10 3jwv h THR 502 N 0.62 0.69 -0.93 4.41 2.02 -0.64 -1.06 112.91 118.02 3jwv h THR 502 Ca 0.15 -0.10 0.07 0.00 0.77 0.00 0.00 66.41 67.29 3jwv h THR 502 Cb 0.32 0.37 -0.07 0.00 -1.74 0.00 0.00 68.15 67.03 3jwv h THR 502 CO 0.00 0.05 0.58 -0.33 0.37 0.00 0.00 175.52 176.20 3jwv h GLU 503 N 0.30 1.02 -0.31 6.66 5.08 -0.90 -1.37 114.58 125.07 3jwv h GLU 503 Ca 0.30 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.57 3jwv h GLU 503 Cb 0.42 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3jwv h GLU 503 CO -0.36 0.68 0.07 0.82 -1.00 0.00 0.00 179.01 179.21 3jwv h ILE 504 N 1.05 1.22 -0.23 3.13 2.04 -0.53 -1.56 117.51 122.64 3jwv h ILE 504 Ca 0.41 -0.76 0.05 0.00 1.00 0.00 0.00 64.86 65.56 3jwv h ILE 504 Cb 0.20 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 37.35 3jwv h ILE 504 CO -0.18 0.25 -0.12 0.00 0.00 0.00 0.00 178.15 178.10 3jwv h ILE 506 N -0.10 0.92 -0.73 0.00 2.04 -1.14 -0.80 117.51 117.70 3jwv h ILE 506 Ca 0.13 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 3jwv h ILE 506 Cb 0.29 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 3jwv h ILE 506 CO -0.29 0.07 0.44 -0.61 0.00 0.00 0.00 178.15 177.75 3jwv h GLN 507 N 0.37 0.99 0.00 2.37 4.15 -0.78 0.20 115.11 122.40 3jwv h GLN 507 Ca 0.19 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.52 3jwv h GLN 507 Cb 0.14 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.62 3jwv h GLN 507 CO -0.16 0.69 0.00 1.04 -1.93 0.00 0.00 178.83 178.47 3jwv n GLN 508 N -4.39 0.65 0.00 1.69 1.13 0.69 -4.84 117.38 112.31 3jwv n GLN 508 Ca 0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.14 3jwv n GLN 508 Cb 0.07 -1.34 0.00 0.00 0.11 0.00 0.00 30.24 29.08 3jwv n GLN 508 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3jwv n GLY 509 N 0.26 0.66 3.72 1.08 0.00 0.05 -4.90 105.19 106.06 3jwv n GLY 509 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3jwv n GLY 509 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3jwv s TRP 510 N -2.00 3.02 -0.57 1.61 -0.00 -0.43 -4.97 118.94 115.60 3jwv s TRP 510 Ca 0.00 0.57 -0.21 0.00 -0.00 0.00 0.00 56.10 56.46 3jwv s TRP 510 Cb 0.00 -3.98 0.07 0.00 -0.00 0.00 0.00 33.47 29.56 3jwv s TRP 510 CO 0.00 -3.63 0.79 0.15 -0.00 0.00 0.00 176.95 174.26 3jwv s LYS 511 N 1.09 3.14 -0.04 5.86 -0.14 -1.26 -4.34 119.74 124.04 3jwv s LYS 511 Ca 0.71 -0.85 -0.30 0.00 -1.36 0.00 0.00 55.97 54.17 3jwv s LYS 511 Cb -0.45 -4.16 -0.02 0.00 -1.68 0.00 0.00 37.83 31.52 3jwv s LYS 511 CO 0.32 -1.49 1.01 0.00 -0.76 0.00 0.00 175.35 174.43 3jwv s ALA 512 N 3.26 3.29 0.03 5.17 0.00 -1.26 -4.92 121.76 127.32 3jwv s ALA 512 Ca 0.19 0.48 0.33 0.00 0.00 0.00 0.00 51.96 52.96 3jwv s ALA 512 Cb -0.18 -3.39 1.39 0.00 0.00 0.00 0.00 23.12 20.93 3jwv s ALA 512 CO 0.12 -0.42 1.96 -1.35 0.00 0.00 0.00 175.76 176.07 3jwv h PRO 513 N 6.95 0.00 -5.84 0.00 0.11 -1.99 -3.47 132.00 127.76 3jwv h PRO 513 Ca -0.36 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.39 3jwv h PRO 513 Cb 1.19 0.00 0.12 0.00 0.11 0.00 0.00 31.00 32.42 3jwv h PRO 513 CO 0.80 0.00 -0.82 0.54 -0.21 0.00 0.00 178.00 178.31 3jwv n ARG 514 N -2.91 -4.71 -3.17 1.05 1.74 -1.26 -5.03 116.66 102.37 3jwv n ARG 514 Ca 0.01 0.73 -0.17 0.00 -0.77 0.00 0.00 57.85 57.65 3jwv n ARG 514 Cb 0.26 -5.44 -0.02 0.00 -1.02 0.00 0.00 32.46 26.25 3jwv n ARG 514 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jwv n GLY 515 N -1.37 3.30 0.19 -0.13 0.00 -1.26 -5.06 105.19 100.86 3jwv n GLY 515 Ca -0.24 -2.27 0.12 0.00 0.00 0.00 0.00 46.02 43.63 3jwv n GLY 515 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3jwv h ARG 516 N 0.00 0.00 -2.02 1.61 2.43 -1.92 -3.39 114.38 111.09 3jwv h ARG 516 Ca -0.22 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.44 3jwv h ARG 516 Cb 0.74 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 29.89 3jwv h ARG 516 CO 0.36 0.00 -1.14 1.19 -1.51 0.00 0.00 179.97 178.87 3jwv n PHE 517 N -2.93 0.28 -3.21 2.20 3.01 -1.26 -4.15 117.46 111.40 3jwv n PHE 517 Ca 0.03 -3.76 -0.40 0.00 1.01 0.00 0.00 57.45 54.33 3jwv n PHE 517 Cb 0.52 -0.41 -0.07 0.00 -0.01 0.00 0.00 39.48 39.52 3jwv n PHE 517 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3jwv s ASP 518 N -2.13 6.55 0.09 4.37 1.01 -1.26 -4.93 116.67 120.37 3jwv s ASP 518 Ca 0.39 0.66 -0.31 0.00 0.71 0.00 0.00 52.55 54.00 3jwv s ASP 518 Cb 0.29 -2.30 -0.08 0.00 1.01 0.00 0.00 42.92 41.84 3jwv s ASP 518 CO -0.09 -0.25 1.48 -0.69 0.21 0.00 0.00 175.17 175.83 3jwv s VAL 519 N 1.97 3.19 0.59 -1.27 1.01 -1.26 -0.19 120.40 124.44 3jwv s VAL 519 Ca 0.24 0.78 -0.17 0.00 0.00 0.00 0.00 61.98 62.84 3jwv s VAL 519 Cb -0.16 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 3jwv s VAL 519 CO 0.09 0.04 1.08 -0.76 0.00 0.00 0.00 175.10 175.55 3jwv s LEU 520 N 1.64 3.56 0.75 3.92 1.43 0.11 -4.86 118.68 125.23 3jwv s LEU 520 Ca 0.67 1.93 -0.11 0.00 -1.03 0.00 0.00 54.13 55.59 3jwv s LEU 520 Cb -0.38 -4.55 0.04 0.00 0.03 0.00 0.00 46.19 41.34 3jwv s LEU 520 CO 0.30 -1.24 1.08 -2.16 0.23 0.00 0.00 176.35 174.57 3jwv s PRO 521 N -3.84 2.48 0.23 1.29 0.04 -1.26 -4.77 135.00 129.17 3jwv s PRO 521 Ca 0.66 0.72 -0.25 0.00 0.04 0.00 0.00 61.00 62.18 3jwv s PRO 521 Cb -0.18 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.31 3jwv s PRO 521 CO 0.34 -1.37 0.84 -0.51 0.04 0.00 0.00 177.00 176.34 3jwv s LEU 522 N -5.64 4.48 -0.22 -3.56 1.43 0.12 -4.90 118.68 110.38 3jwv s LEU 522 Ca 0.59 1.70 0.00 0.00 -1.03 0.00 0.00 54.13 55.40 3jwv s LEU 522 Cb -0.14 -3.60 0.06 0.00 0.03 0.00 0.00 46.19 42.54 3jwv s LEU 522 CO 0.54 0.09 -0.05 -0.22 0.23 0.00 0.00 176.35 176.94 3jwv s LEU 523 N -1.57 2.35 -0.05 1.79 2.96 -1.26 -1.57 118.68 121.33 3jwv s LEU 523 Ca 0.42 -1.07 0.04 0.00 -0.22 0.00 0.00 54.13 53.30 3jwv s LEU 523 Cb -0.21 -1.12 -0.00 0.00 0.50 0.00 0.00 46.19 45.36 3jwv s LEU 523 CO 0.25 -0.23 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.12 3jwv s LEU 524 N 1.45 1.91 -0.18 -0.68 1.43 -0.53 -1.02 118.68 121.06 3jwv s LEU 524 Ca -0.04 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.69 3jwv s LEU 524 Cb -0.18 -1.02 0.02 0.00 0.03 0.00 0.00 46.19 45.04 3jwv s LEU 524 CO -0.07 0.15 -0.20 -1.58 0.23 0.00 0.00 176.35 174.88 3jwv s GLN 525 N 0.12 3.01 -0.07 1.70 0.74 -0.41 -0.71 119.66 124.04 3jwv s GLN 525 Ca -0.06 -0.82 0.02 0.00 0.05 0.00 0.00 55.36 54.54 3jwv s GLN 525 Cb -0.13 -2.57 -0.02 0.00 1.10 0.00 0.00 33.01 31.39 3jwv s GLN 525 CO 0.03 -0.18 -0.13 0.00 -0.55 0.00 0.00 175.29 174.46 3jwv s ALA 526 N 1.23 2.71 -1.44 1.58 0.00 -1.26 -1.04 121.76 123.54 3jwv s ALA 526 Ca 0.03 -0.94 -0.07 0.00 0.00 0.00 0.00 51.96 50.98 3jwv s ALA 526 Cb -0.13 -1.07 0.04 0.00 0.00 0.00 0.00 23.12 21.95 3jwv s ALA 526 CO -0.11 0.48 0.60 -1.71 0.00 0.00 0.00 175.76 175.02 3jwv n ASN 527 N 2.60 -5.08 0.00 0.00 4.05 -1.20 -1.21 115.26 114.42 3jwv n ASN 527 Ca -0.17 -0.37 0.00 0.00 0.45 0.00 0.00 54.58 54.49 3jwv n ASN 527 Cb 0.52 -4.12 0.00 0.00 1.23 0.00 0.00 39.78 37.41 3jwv n ASN 527 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3jwv n GLY 528 N -1.41 0.34 3.81 8.20 0.00 0.02 -4.61 105.19 111.54 3jwv n GLY 528 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 3jwv n GLY 528 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jwv s ASN 529 N -2.20 4.82 0.39 1.61 0.01 -0.35 -4.89 114.94 114.32 3jwv s ASN 529 Ca 0.00 1.45 -0.27 0.00 -0.71 0.00 0.00 52.86 53.34 3jwv s ASN 529 Cb 0.00 -2.24 -0.11 0.00 0.41 0.00 0.00 41.25 39.31 3jwv s ASN 529 CO 0.00 -1.78 1.34 0.47 -1.51 0.00 0.00 177.10 175.62 3jwv n ASP 530 N -3.33 2.95 -4.80 -1.22 8.00 -1.26 -4.36 116.55 112.53 3jwv n ASP 530 Ca 0.07 1.17 -0.32 0.00 0.71 0.00 0.00 54.79 56.42 3jwv n ASP 530 Cb 0.55 -1.53 0.05 0.00 -0.02 0.00 0.00 41.12 40.17 3jwv n ASP 530 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3jwv s PRO 531 N -2.10 2.90 0.08 -0.24 0.04 -1.26 -4.75 135.00 129.67 3jwv s PRO 531 Ca 0.58 1.12 0.07 0.00 0.04 0.00 0.00 61.00 62.81 3jwv s PRO 531 Cb -0.52 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.01 3jwv s PRO 531 CO 0.61 -1.14 -0.19 -1.21 0.04 0.00 0.00 177.00 175.11 3jwv s GLU 532 N -4.62 1.08 0.07 4.56 2.02 0.11 -4.83 118.70 117.09 3jwv s GLU 532 Ca 0.61 -1.05 -0.18 0.00 0.02 0.00 0.00 54.97 54.36 3jwv s GLU 532 Cb -0.16 -1.25 -0.07 0.00 0.10 0.00 0.00 34.13 32.75 3jwv s GLU 532 CO 0.48 0.29 0.55 -0.51 0.02 0.00 0.00 175.26 176.09 3jwv s LEU 533 N -1.71 4.51 -0.06 1.80 1.43 -1.26 -1.45 118.68 121.93 3jwv s LEU 533 Ca 0.04 1.21 -0.06 0.00 -1.03 0.00 0.00 54.13 54.30 3jwv s LEU 533 Cb -0.10 -2.89 0.02 0.00 0.03 0.00 0.00 46.19 43.26 3jwv s LEU 533 CO 0.03 0.27 0.17 -0.36 0.23 0.00 0.00 176.35 176.69 3jwv s PHE 534 N -1.14 -0.19 -0.20 0.29 0.40 -0.61 -4.99 117.98 111.55 3jwv s PHE 534 Ca 0.29 0.46 -0.16 0.00 -0.60 0.00 0.00 56.93 56.93 3jwv s PHE 534 Cb -0.19 0.06 -0.04 0.00 0.51 0.00 0.00 43.02 43.36 3jwv s PHE 534 CO 0.18 -0.09 0.38 -1.14 0.70 0.00 0.00 175.22 175.25 3jwv s GLN 535 N 0.15 4.17 0.21 0.44 0.74 -1.26 0.11 119.66 124.22 3jwv s GLN 535 Ca -0.00 0.18 -0.31 0.00 0.05 0.00 0.00 55.36 55.27 3jwv s GLN 535 Cb -0.02 -3.53 -0.11 0.00 1.10 0.00 0.00 33.01 30.46 3jwv s GLN 535 CO -0.00 -0.02 1.56 0.42 -0.55 0.00 0.00 175.29 176.70 3jwv s ILE 536 N 1.26 2.46 -0.02 -2.34 1.01 -1.26 -4.92 121.20 117.40 3jwv s ILE 536 Ca 0.18 0.35 -0.36 0.00 0.00 0.00 0.00 60.65 60.83 3jwv s ILE 536 Cb -0.15 -3.23 -0.14 0.00 0.01 0.00 0.00 42.46 38.96 3jwv s ILE 536 CO 0.08 0.04 1.64 -2.65 0.00 0.00 0.00 174.94 174.05 3jwv n PRO 537 N 3.32 1.71 0.08 2.79 -0.02 -1.26 -4.83 135.00 136.79 3jwv n PRO 537 Ca 0.12 0.62 0.06 0.00 -2.02 0.00 0.00 63.50 62.28 3jwv n PRO 537 Cb 0.38 -2.37 0.51 0.00 -0.02 0.00 0.00 33.50 32.01 3jwv n PRO 537 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3jwv h PRO 538 N 6.81 0.33 0.00 0.52 0.11 -1.95 0.18 132.00 138.00 3jwv h PRO 538 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3jwv h PRO 538 Cb 1.29 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3jwv h PRO 538 CO 0.90 0.22 0.00 -0.85 -0.21 0.00 0.00 178.00 178.05 3jwv n GLU 539 N -4.50 0.15 0.04 1.05 0.00 -1.26 -0.72 120.64 115.42 3jwv n GLU 539 Ca 0.02 0.52 0.12 0.00 0.00 0.00 0.00 57.16 57.82 3jwv n GLU 539 Cb 0.10 -1.88 0.21 0.00 0.00 0.00 0.00 31.44 29.88 3jwv n GLU 539 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3jwv n LEU 540 N -2.19 0.62 -4.36 -1.84 4.32 0.62 -4.77 117.00 109.41 3jwv n LEU 540 Ca 0.00 0.19 -0.45 0.00 -0.02 0.00 0.00 56.01 55.74 3jwv n LEU 540 Cb 0.13 -0.21 -0.05 0.00 -1.62 0.00 0.00 43.42 41.67 3jwv n LEU 540 CO 0.14 -0.01 0.34 -0.69 -1.22 0.00 0.00 177.39 175.95 3jwv s VAL 541 N -3.12 4.94 -0.01 4.08 1.01 0.11 -4.80 120.40 122.61 3jwv s VAL 541 Ca 0.08 -1.17 -0.30 0.00 0.00 0.00 0.00 61.98 60.58 3jwv s VAL 541 Cb 0.15 -4.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 3jwv s VAL 541 CO 0.71 -1.06 1.12 -0.22 0.00 0.00 0.00 175.10 175.64 3jwv s LEU 542 N 2.34 4.33 0.12 3.92 2.96 -1.26 -5.01 118.68 126.08 3jwv s LEU 542 Ca 0.09 1.80 0.06 0.00 -0.22 0.00 0.00 54.13 55.86 3jwv s LEU 542 Cb -0.25 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.83 3jwv s LEU 542 CO 0.05 -0.44 -0.13 -1.61 -1.32 0.00 0.00 176.35 172.89 3jwv s GLU 543 N 1.47 1.00 -0.17 1.98 2.02 -1.26 -1.34 118.70 122.41 3jwv s GLU 543 Ca 0.55 -1.23 -0.00 0.00 0.02 0.00 0.00 54.97 54.30 3jwv s GLU 543 Cb -0.24 -0.85 0.04 0.00 0.10 0.00 0.00 34.13 33.18 3jwv s GLU 543 CO 0.25 0.16 -0.06 0.08 0.02 0.00 0.00 175.26 175.71 3jwv s VAL 544 N -2.20 1.16 0.29 2.63 1.01 0.15 -4.92 120.40 118.52 3jwv s VAL 544 Ca 0.09 -0.64 -0.29 0.00 0.00 0.00 0.00 61.98 61.13 3jwv s VAL 544 Cb -0.04 -1.31 -0.10 0.00 0.00 0.00 0.00 36.38 34.92 3jwv s VAL 544 CO 0.03 0.15 1.29 -2.84 0.00 0.00 0.00 175.10 173.73 3jwv s PRO 545 N 1.61 4.39 -0.25 2.72 0.02 -1.26 -1.84 135.00 140.39 3jwv s PRO 545 Ca 0.01 2.14 -0.11 0.00 0.02 0.00 0.00 61.00 63.06 3jwv s PRO 545 Cb -0.15 -3.11 -0.05 0.00 0.02 0.00 0.00 34.50 31.21 3jwv s PRO 545 CO -0.08 -0.17 0.20 0.42 -0.33 0.00 0.00 177.00 177.04 3jwv s ILE 546 N -0.83 5.32 0.29 2.83 -1.09 0.29 -4.87 121.20 123.14 3jwv s ILE 546 Ca 0.51 0.23 0.02 0.00 -2.23 0.00 0.00 60.65 59.18 3jwv s ILE 546 Cb -0.38 -3.54 -0.06 0.00 -1.58 0.00 0.00 42.46 36.91 3jwv s ILE 546 CO 0.48 0.30 0.08 0.00 -1.23 0.00 0.00 174.94 174.57 3jwv s ARG 547 N 1.38 1.53 -0.03 2.79 3.03 -1.26 -4.14 118.95 122.24 3jwv s ARG 547 Ca 0.08 -1.84 0.07 0.00 2.03 0.00 0.00 55.73 56.08 3jwv s ARG 547 Cb -0.15 -0.51 -0.02 0.00 -1.03 0.00 0.00 34.95 33.25 3jwv s ARG 547 CO 0.07 -0.26 -0.25 -1.58 -1.13 0.00 0.00 175.30 172.15 3jwv s HIS 548 N -3.56 2.38 0.47 5.89 2.46 -1.26 -4.41 115.29 117.27 3jwv s HIS 548 Ca 0.37 -0.52 0.24 0.00 0.47 0.00 0.00 55.06 55.62 3jwv s HIS 548 Cb 0.08 -1.54 1.42 0.00 -0.13 0.00 0.00 32.58 32.41 3jwv s HIS 548 CO 0.15 -0.09 2.10 -1.00 -2.47 0.00 0.00 174.74 173.42 3jwv h PRO 549 N 5.68 0.00 0.00 2.88 0.13 -1.92 -3.27 132.00 135.50 3jwv h PRO 549 Ca -0.39 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.62 3jwv h PRO 549 Cb 1.14 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 3jwv h PRO 549 CO 0.47 0.10 -1.43 1.63 -0.23 0.00 0.00 178.00 178.55 3jwv n LYS 550 N -3.89 2.92 -3.38 0.86 5.02 -1.26 -4.94 118.16 113.49 3jwv n LYS 550 Ca -0.02 -0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.82 3jwv n LYS 550 Cb 0.20 -1.16 -0.08 0.00 -0.02 0.00 0.00 35.03 33.97 3jwv n LYS 550 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3jwv s PHE 551 N -2.15 3.23 -0.27 2.13 0.08 -1.23 -4.94 117.98 114.83 3jwv s PHE 551 Ca -0.03 -0.85 0.28 0.00 0.12 0.00 0.00 56.93 56.45 3jwv s PHE 551 Cb 0.02 -3.12 1.01 0.00 -0.57 0.00 0.00 43.02 40.35 3jwv s PHE 551 CO 0.25 -0.79 1.82 0.22 -0.10 0.00 0.00 175.22 176.62 3jwv h ASP 552 N 8.76 0.00 0.92 1.36 3.58 -1.92 -2.80 116.42 126.31 3jwv h ASP 552 Ca -0.28 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.17 3jwv h ASP 552 Cb 1.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.16 3jwv h ASP 552 CO 0.87 0.00 0.00 -2.67 -2.88 0.00 0.00 179.24 174.56 3jwv n TRP 553 N -2.75 0.00 -0.28 0.28 4.27 -1.26 -3.92 117.44 113.78 3jwv n TRP 553 Ca 0.02 0.00 -0.05 0.00 -3.89 0.00 0.00 57.50 53.59 3jwv n TRP 553 Cb 0.34 -0.50 0.09 0.00 -1.36 0.00 0.00 31.31 29.89 3jwv n TRP 553 CO 0.00 0.00 0.00 0.35 -2.29 0.00 0.00 177.69 175.75 3jwv h PHE 554 N 0.00 1.18 -0.50 -2.67 3.04 -1.86 -1.73 116.94 114.39 3jwv h PHE 554 Ca 0.00 -0.07 0.10 0.00 3.98 0.00 0.00 57.97 61.98 3jwv h PHE 554 Cb 0.46 -0.36 -0.03 0.00 2.56 0.00 0.00 35.95 38.59 3jwv h PHE 554 CO 0.00 0.87 0.35 1.57 -2.02 0.00 0.00 178.31 179.08 3jwv h LYS 555 N 1.14 0.24 0.00 1.11 2.10 -1.72 -2.24 116.57 117.21 3jwv h LYS 555 Ca 0.27 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.90 3jwv h LYS 555 Cb 0.18 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 3jwv h LYS 555 CO -0.03 0.16 0.00 -0.25 -2.00 0.00 0.00 179.45 177.33 3jwv n ASP 556 N -4.45 0.37 0.20 7.07 8.00 -0.65 -2.11 116.55 124.97 3jwv n ASP 556 Ca 0.08 0.56 0.14 0.00 0.71 0.00 0.00 54.79 56.28 3jwv n ASP 556 Cb 0.39 -0.65 0.70 0.00 -0.02 0.00 0.00 41.12 41.55 3jwv n ASP 556 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3jwv h LEU 557 N 0.00 0.00 1.03 0.64 3.38 -1.47 -3.46 115.31 115.43 3jwv h LEU 557 Ca 0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 3jwv h LEU 557 Cb 0.47 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 3jwv h LEU 557 CO 0.00 0.00 -0.22 0.61 0.09 0.00 0.00 178.44 178.92 3jwv n GLY 558 N -0.96 0.35 3.80 0.83 0.00 -0.90 -5.00 105.19 103.30 3jwv n GLY 558 Ca -0.01 -0.54 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 3jwv n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jwv s LEU 559 N -2.48 4.41 0.17 0.99 1.43 -1.26 -4.99 118.68 116.95 3jwv s LEU 559 Ca 0.00 1.60 -0.07 0.00 -1.03 0.00 0.00 54.13 54.63 3jwv s LEU 559 Cb 0.00 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.57 3jwv s LEU 559 CO 0.00 0.05 0.25 -1.59 0.23 0.00 0.00 176.35 175.29 3jwv s LYS 560 N -1.78 1.16 0.14 1.70 -2.85 -1.26 -0.55 119.74 116.30 3jwv s LYS 560 Ca 0.43 -1.28 -0.07 0.00 -1.00 0.00 0.00 55.97 54.05 3jwv s LYS 560 Cb -0.19 0.35 -0.02 0.00 -2.06 0.00 0.00 37.83 35.92 3jwv s LYS 560 CO 0.23 -0.41 0.21 -0.46 0.10 0.00 0.00 175.35 175.01 3jwv s TRP 561 N -4.01 0.46 0.38 1.78 -0.11 -0.77 -4.92 118.94 111.74 3jwv s TRP 561 Ca 0.21 -0.84 -0.07 0.00 1.22 0.00 0.00 56.10 56.62 3jwv s TRP 561 Cb 0.04 -0.16 -0.05 0.00 -1.50 0.00 0.00 33.47 31.80 3jwv s TRP 561 CO 0.03 -0.63 0.68 1.52 -4.62 0.00 0.00 176.95 173.93 3jwv s TYR 562 N -3.96 3.49 -0.25 5.86 -0.85 -1.26 -0.67 117.35 119.70 3jwv s TYR 562 Ca 0.16 0.82 0.20 0.00 -0.52 0.00 0.00 57.07 57.73 3jwv s TYR 562 Cb 0.05 -2.26 0.08 0.00 0.38 0.00 0.00 41.96 40.20 3jwv s TYR 562 CO -0.02 -0.03 1.24 0.78 -1.52 0.00 0.00 175.55 176.00 3jwv h GLY 563 N 1.17 0.00 -7.61 5.49 0.00 -1.57 -3.45 103.07 97.11 3jwv h GLY 563 Ca -0.47 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.15 3jwv h GLY 563 CO 0.64 0.00 -0.56 -2.27 0.00 0.00 0.00 176.54 174.35 3jwv s LEU 564 N -5.90 4.60 -0.22 3.11 2.96 -1.26 -4.55 118.68 117.42 3jwv s LEU 564 Ca 0.02 -1.28 -0.25 0.00 -0.22 0.00 0.00 54.13 52.40 3jwv s LEU 564 Cb 0.08 -1.90 -0.01 0.00 0.50 0.00 0.00 46.19 44.86 3jwv s LEU 564 CO 0.75 -0.39 0.84 -2.16 -1.32 0.00 0.00 176.35 174.07 3jwv s PRO 565 N 1.40 4.23 -0.31 0.98 0.04 -1.26 -4.72 135.00 135.36 3jwv s PRO 565 Ca 0.00 0.99 -0.03 0.00 0.04 0.00 0.00 61.00 62.00 3jwv s PRO 565 Cb -0.21 -3.62 0.11 0.00 0.04 0.00 0.00 34.50 30.82 3jwv s PRO 565 CO 0.02 -0.46 0.15 0.00 0.04 0.00 0.00 177.00 176.75 3jwv s ALA 566 N 2.62 0.72 -0.05 8.56 0.00 -1.26 -2.39 121.76 129.96 3jwv s ALA 566 Ca 0.37 -1.29 -0.30 0.00 0.00 0.00 0.00 51.96 50.73 3jwv s ALA 566 Cb -0.16 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.47 3jwv s ALA 566 CO 0.09 -1.76 1.35 0.08 0.00 0.00 0.00 175.76 175.52 3jwv s VAL 567 N 1.84 3.93 0.00 0.00 1.01 0.51 -0.87 120.40 126.81 3jwv s VAL 567 Ca 0.11 1.25 0.00 0.00 0.00 0.00 0.00 61.98 63.35 3jwv s VAL 567 Cb -0.18 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.40 3jwv s VAL 567 CO -0.27 -0.03 0.73 -1.54 0.00 0.00 0.00 175.10 173.99 3jwv n SER 568 N 5.71 1.41 -0.82 3.32 3.41 -0.33 -1.37 113.62 124.95 3jwv n SER 568 Ca 0.13 -1.51 0.08 0.00 -0.26 0.00 0.00 58.87 57.31 3jwv n SER 568 Cb 0.44 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.56 3jwv n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3jwv n ASN 569 N -0.25 2.96 -4.95 4.04 6.94 -1.22 -4.36 115.26 118.42 3jwv n ASN 569 Ca 0.00 -1.87 -0.23 0.00 -0.02 0.00 0.00 54.58 52.46 3jwv n ASN 569 Cb 0.17 -0.21 0.01 0.00 -2.36 0.00 0.00 39.78 37.39 3jwv n ASN 569 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 3jwv s MET 570 N -1.14 3.18 -0.16 -3.83 -1.94 -1.26 -4.25 119.30 109.90 3jwv s MET 570 Ca 0.28 -0.44 -0.04 0.00 -1.71 0.00 0.00 55.69 53.78 3jwv s MET 570 Cb 0.16 -2.58 -0.03 0.00 2.01 0.00 0.00 34.83 34.39 3jwv s MET 570 CO 0.22 -0.17 -0.02 -1.17 -0.01 0.00 0.00 175.02 173.87 3jwv s LEU 571 N -4.50 3.33 -0.32 -0.03 0.20 0.78 -4.38 118.68 113.76 3jwv s LEU 571 Ca 0.46 -0.10 -0.13 0.00 0.69 0.00 0.00 54.13 55.05 3jwv s LEU 571 Cb -0.10 -1.81 -0.03 0.00 -0.43 0.00 0.00 46.19 43.82 3jwv s LEU 571 CO 0.38 0.17 0.26 -0.22 -0.29 0.00 0.00 176.35 176.64 3jwv s LEU 572 N 0.39 4.33 -0.23 -0.68 2.96 -0.37 -0.13 118.68 124.95 3jwv s LEU 572 Ca -0.03 -0.22 -0.09 0.00 -0.22 0.00 0.00 54.13 53.56 3jwv s LEU 572 Cb -0.14 -2.19 -0.04 0.00 0.50 0.00 0.00 46.19 44.32 3jwv s LEU 572 CO 0.03 -0.20 0.13 -0.70 -1.32 0.00 0.00 176.35 174.28 3jwv s GLU 573 N 1.81 3.98 -0.12 1.98 2.12 -0.13 -0.62 118.70 127.71 3jwv s GLU 573 Ca 0.08 -0.32 -0.02 0.00 0.36 0.00 0.00 54.97 55.07 3jwv s GLU 573 Cb -0.17 -3.44 0.04 0.00 0.26 0.00 0.00 34.13 30.82 3jwv s GLU 573 CO 0.11 0.06 0.01 0.42 -0.54 0.00 0.00 175.26 175.31 3jwv s ILE 574 N 1.03 0.49 -1.46 -3.70 1.01 -0.60 -2.02 121.20 115.94 3jwv s ILE 574 Ca 0.06 -0.18 -0.10 0.00 0.00 0.00 0.00 60.65 60.44 3jwv s ILE 574 Cb -0.14 -0.77 0.05 0.00 0.01 0.00 0.00 42.46 41.61 3jwv s ILE 574 CO 0.04 0.09 0.85 0.61 0.00 0.00 0.00 174.94 176.52 3jwv n GLY 575 N 5.09 -0.51 2.63 6.18 0.00 -1.26 -0.75 105.19 116.57 3jwv n GLY 575 Ca -0.08 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3jwv n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jwv n GLY 576 N -1.63 2.63 3.79 -0.02 0.00 -1.26 -3.49 105.19 105.22 3jwv n GLY 576 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 3jwv n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jwv s LEU 577 N 0.00 4.36 -0.27 0.99 1.43 0.07 -4.99 118.68 120.28 3jwv s LEU 577 Ca 0.00 1.73 -0.02 0.00 -1.03 0.00 0.00 54.13 54.81 3jwv s LEU 577 Cb 0.00 -3.87 0.03 0.00 0.03 0.00 0.00 46.19 42.39 3jwv s LEU 577 CO 0.00 -0.02 -0.03 -1.61 0.23 0.00 0.00 176.35 174.92 3jwv s GLU 578 N -1.96 2.73 -0.73 1.70 2.02 -1.26 -1.56 118.70 119.64 3jwv s GLU 578 Ca 0.47 -1.06 -0.16 0.00 0.02 0.00 0.00 54.97 54.25 3jwv s GLU 578 Cb -0.19 -3.09 0.17 0.00 0.10 0.00 0.00 34.13 31.12 3jwv s GLU 578 CO 0.24 -0.48 0.73 -0.06 0.02 0.00 0.00 175.26 175.70 3jwv s PHE 579 N 1.32 3.45 -0.99 1.61 0.40 0.20 0.17 117.98 124.14 3jwv s PHE 579 Ca -0.01 -1.59 0.24 0.00 -0.60 0.00 0.00 56.93 54.96 3jwv s PHE 579 Cb -0.18 -3.89 1.03 0.00 0.51 0.00 0.00 43.02 40.49 3jwv s PHE 579 CO -0.03 -1.10 1.77 -1.13 0.70 0.00 0.00 175.22 175.44 3jwv n SER 580 N 4.92 0.03 -3.83 1.36 3.41 -1.26 -1.24 113.62 117.01 3jwv n SER 580 Ca 0.04 0.50 -0.29 0.00 -0.26 0.00 0.00 58.87 58.87 3jwv n SER 580 Cb 0.45 -0.51 -0.16 0.00 -0.26 0.00 0.00 64.21 63.72 3jwv n SER 580 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jwv s ALA 581 N -3.01 1.43 -0.40 7.33 0.00 -1.21 -4.60 121.76 121.31 3jwv s ALA 581 Ca 0.12 -0.96 0.10 0.00 0.00 0.00 0.00 51.96 51.22 3jwv s ALA 581 Cb 0.16 -1.26 0.37 0.00 0.00 0.00 0.00 23.12 22.38 3jwv s ALA 581 CO 0.44 -1.12 1.05 0.00 0.00 0.00 0.00 175.76 176.13 3jwv n PRO 583 N 0.04 2.04 -4.25 0.00 -0.04 -1.15 -4.63 135.00 127.02 3jwv n PRO 583 Ca 0.09 0.73 -0.14 0.00 -0.04 0.00 0.00 63.50 64.14 3jwv n PRO 583 Cb 0.75 -2.39 -0.10 0.00 -0.04 0.00 0.00 33.50 31.72 3jwv n PRO 583 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3jwv s PHE 584 N -0.05 1.27 0.02 0.54 -0.12 -0.47 -1.34 117.98 117.83 3jwv s PHE 584 Ca 0.68 -0.76 -0.11 0.00 -0.05 0.00 0.00 56.93 56.70 3jwv s PHE 584 Cb -0.65 -0.64 0.01 0.00 -0.63 0.00 0.00 43.02 41.11 3jwv s PHE 584 CO 0.50 0.08 0.23 -1.54 -0.05 0.00 0.00 175.22 174.43 3jwv s SER 585 N -3.16 -0.04 0.00 1.98 1.04 -0.20 -0.36 113.70 112.95 3jwv s SER 585 Ca 0.17 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.39 3jwv s SER 585 Cb 0.02 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.43 3jwv s SER 585 CO 0.01 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.33 3jwv n GLY 586 N 0.94 4.08 3.22 7.32 0.00 -1.01 -2.32 105.19 117.42 3jwv n GLY 586 Ca -0.20 -0.50 -0.10 0.00 0.00 0.00 0.00 46.02 45.22 3jwv n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3jwv s TRP 587 N 3.50 0.72 0.30 1.61 -2.14 -1.26 -4.49 118.94 117.18 3jwv s TRP 587 Ca 0.00 -1.08 -0.20 0.00 2.66 0.00 0.00 56.10 57.47 3jwv s TRP 587 Cb 0.00 -0.34 -0.09 0.00 -3.10 0.00 0.00 33.47 29.94 3jwv s TRP 587 CO 0.00 -0.60 0.81 0.71 -2.66 0.00 0.00 176.95 175.21 3jwv s TYR 588 N -4.03 3.56 -0.03 1.66 1.51 -1.26 -4.91 117.35 113.84 3jwv s TYR 588 Ca 0.23 1.48 -0.18 0.00 -1.01 0.00 0.00 57.07 57.58 3jwv s TYR 588 Cb 0.06 -2.71 -0.05 0.00 -0.11 0.00 0.00 41.96 39.15 3jwv s TYR 588 CO 0.02 0.20 0.52 1.41 -1.11 0.00 0.00 175.55 176.58 3jwv s MET 589 N -2.36 4.23 0.29 -0.62 -2.45 -1.26 -1.51 119.30 115.62 3jwv s MET 589 Ca 0.50 0.58 0.03 0.00 -1.25 0.00 0.00 55.69 55.55 3jwv s MET 589 Cb -0.15 -3.34 0.66 0.00 1.25 0.00 0.00 34.83 33.25 3jwv s MET 589 CO 0.20 0.40 1.78 0.78 1.05 0.00 0.00 175.02 179.23 3jwv h GLY 590 N 5.66 1.67 2.00 2.11 0.00 -1.22 -0.74 103.07 112.55 3jwv h GLY 590 Ca -0.46 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 46.51 3jwv h GLY 590 CO 0.69 -0.02 -0.07 -0.91 0.00 0.00 0.00 176.54 176.23 3jwv h THR 591 N 0.77 0.77 -0.73 4.70 1.35 -1.94 -0.75 112.91 117.09 3jwv h THR 591 Ca 0.54 -0.28 0.08 0.00 -0.55 0.00 0.00 66.41 66.20 3jwv h THR 591 Cb 0.77 1.16 -0.06 0.00 -1.73 0.00 0.00 68.15 68.29 3jwv h THR 591 CO -0.36 0.07 0.40 -0.33 -0.25 0.00 0.00 175.52 175.05 3jwv h GLU 592 N 0.00 0.69 0.00 4.72 5.08 -1.54 -0.70 114.58 122.83 3jwv h GLU 592 Ca -0.00 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 3jwv h GLU 592 Cb 0.16 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3jwv h GLU 592 CO 0.01 0.45 -0.18 0.82 -1.00 0.00 0.00 179.01 179.12 3jwv h ILE 593 N 0.71 1.30 -0.03 3.13 2.04 -1.55 -2.00 117.51 121.11 3jwv h ILE 593 Ca 0.34 -2.04 -0.18 0.00 1.00 0.00 0.00 64.86 63.98 3jwv h ILE 593 Cb 0.28 2.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.87 3jwv h ILE 593 CO -0.22 0.44 -0.78 1.23 0.00 0.00 0.00 178.15 178.82 3jwv h GLY 594 N -1.00 0.28 0.00 5.37 0.00 -1.15 0.86 103.07 107.43 3jwv h GLY 594 Ca -0.04 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 3jwv h GLY 594 CO -0.03 0.39 -0.62 -0.62 0.00 0.00 0.00 176.54 175.66 3jwv n VAL 595 N -3.75 1.43 -0.01 4.60 0.31 -0.30 -4.14 118.33 116.46 3jwv n VAL 595 Ca -0.04 0.19 -0.01 0.00 -0.01 0.00 0.00 64.34 64.47 3jwv n VAL 595 Cb 0.74 -2.36 -0.01 0.00 -0.91 0.00 0.00 33.84 31.30 3jwv n VAL 595 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3jwv h ARG 596 N -1.00 -0.07 -0.87 5.55 2.47 -1.46 -1.68 114.38 117.32 3jwv h ARG 596 Ca -0.03 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.68 3jwv h ARG 596 Cb 0.61 0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.91 3jwv h ARG 596 CO -0.02 -0.05 0.49 -0.44 0.56 0.00 0.00 179.97 180.51 3jwv h ASP 597 N -0.95 1.07 0.50 7.04 3.32 -1.18 -2.12 116.42 124.11 3jwv h ASP 597 Ca -0.01 -0.09 -0.29 0.00 0.02 0.00 0.00 57.03 56.66 3jwv h ASP 597 Cb 0.06 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.30 3jwv h ASP 597 CO 0.01 0.85 -1.63 1.88 -1.72 0.00 0.00 179.24 178.64 3jwv h TYR 598 N 1.21 0.13 0.00 4.55 0.99 -0.99 -2.40 116.97 120.46 3jwv h TYR 598 Ca 0.31 -0.09 0.00 0.00 2.00 0.00 0.00 58.73 60.94 3jwv h TYR 598 Cb 0.00 -0.01 0.00 0.00 1.00 0.00 0.00 36.73 37.73 3jwv h TYR 598 CO 0.01 1.16 -0.67 0.00 -0.00 0.00 0.00 178.16 178.65 3jwv n ASP 600 N -1.37 1.94 -0.04 0.00 10.43 -0.80 -4.68 116.55 122.03 3jwv n ASP 600 Ca 0.00 1.18 0.04 0.00 2.57 0.00 0.00 54.79 58.58 3jwv n ASP 600 Cb 0.13 -1.36 0.40 0.00 1.84 0.00 0.00 41.12 42.13 3jwv n ASP 600 CO 0.00 0.00 0.00 0.78 -1.07 0.00 0.00 177.20 176.91 3jwv h ASN 601 N 2.58 0.52 -0.06 -2.24 -0.26 -1.93 -2.25 115.58 111.95 3jwv h ASN 601 Ca -0.43 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.30 3jwv h ASN 601 Cb 1.31 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 38.45 3jwv h ASN 601 CO 0.64 0.37 0.00 -1.20 -1.06 0.00 0.00 177.43 176.18 3jwv n SER 602 N -4.47 0.58 0.00 5.81 7.64 -1.26 -4.68 113.62 117.24 3jwv n SER 602 Ca 0.05 -1.51 0.00 0.00 1.01 0.00 0.00 58.87 58.41 3jwv n SER 602 Cb 0.08 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 3jwv n SER 602 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3jwv n ARG 603 N -0.40 1.65 0.21 1.43 5.12 -0.85 -4.19 116.66 119.62 3jwv n ARG 603 Ca 0.15 0.00 0.07 0.00 -1.93 0.00 0.00 57.85 56.14 3jwv n ARG 603 Cb 0.16 0.00 0.44 0.00 -1.16 0.00 0.00 32.46 31.89 3jwv n ARG 603 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 3jwv h TYR 604 N 0.00 0.00 -5.65 -1.55 -1.99 -1.59 -3.42 116.97 102.77 3jwv h TYR 604 Ca 0.00 0.00 -0.32 0.00 2.00 0.00 0.00 58.73 60.41 3jwv h TYR 604 Cb 0.00 0.00 0.17 0.00 2.00 0.00 0.00 36.73 38.90 3jwv h TYR 604 CO 0.00 0.31 -0.80 -1.71 -0.00 0.00 0.00 178.16 175.96 3jwv n ASN 605 N -3.65 -3.07 -0.55 3.88 4.05 0.22 -4.91 115.26 111.23 3jwv n ASN 605 Ca -0.01 -0.66 0.14 0.00 0.45 0.00 0.00 54.58 54.49 3jwv n ASN 605 Cb 0.42 -5.03 0.46 0.00 1.23 0.00 0.00 39.78 36.87 3jwv n ASN 605 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 3jwv n ILE 606 N -3.94 0.00 -0.10 -1.44 -5.35 -0.36 -4.51 119.36 103.67 3jwv n ILE 606 Ca -0.24 -0.29 -0.06 0.00 -0.27 0.00 0.00 62.75 61.90 3jwv n ILE 606 Cb 0.66 0.64 0.00 0.00 -1.74 0.00 0.00 39.64 39.20 3jwv n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3jwv h LEU 607 N 2.68 -0.37 0.27 7.28 3.38 -1.88 -1.33 115.31 125.35 3jwv h LEU 607 Ca 0.00 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3jwv h LEU 607 Cb 0.57 0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 3jwv h LEU 607 CO 0.00 -0.13 -0.17 -0.33 0.09 0.00 0.00 178.44 177.90 3jwv h GLU 608 N -0.02 -0.41 -0.91 1.13 5.08 -1.99 0.47 114.58 117.93 3jwv h GLU 608 Ca 0.17 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.64 3jwv h GLU 608 Cb 0.28 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.55 3jwv h GLU 608 CO -0.37 -0.27 0.56 1.49 -1.00 0.00 0.00 179.01 179.42 3jwv h GLU 609 N -0.43 0.96 -0.27 2.33 4.81 -1.79 0.20 114.58 120.39 3jwv h GLU 609 Ca -0.03 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.06 3jwv h GLU 609 Cb 0.35 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 3jwv h GLU 609 CO 0.03 0.63 -0.15 0.28 -0.73 0.00 0.00 179.01 179.07 3jwv h VAL 610 N 0.99 1.30 -0.86 0.32 2.07 -0.97 -2.56 116.25 116.53 3jwv h VAL 610 Ca 0.41 -1.25 0.03 0.00 0.82 0.00 0.00 66.70 66.71 3jwv h VAL 610 Cb 0.26 1.54 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 3jwv h VAL 610 CO -0.20 0.39 0.56 0.00 0.02 0.00 0.00 177.57 178.34 3jwv h ALA 611 N 0.73 1.13 0.16 1.67 0.00 0.01 -0.41 119.26 122.55 3jwv h ALA 611 Ca 0.06 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3jwv h ALA 611 Cb 0.67 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3jwv h ALA 611 CO 0.04 0.42 -0.24 0.87 0.00 0.00 0.00 179.25 180.35 3jwv h LYS 612 N 1.10 -0.44 0.00 0.00 1.57 -0.59 -1.80 116.57 116.42 3jwv h LYS 612 Ca 0.34 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.14 3jwv h LYS 612 Cb -0.03 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 3jwv h LYS 612 CO -0.11 -0.30 -0.06 0.87 -0.57 0.00 0.00 179.45 179.29 3jwv h LYS 613 N -0.46 0.00 -0.00 3.15 1.79 -1.01 0.18 116.57 120.22 3jwv h LYS 613 Ca 0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 3jwv h LYS 613 Cb 0.46 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 3jwv h LYS 613 CO -0.11 0.06 -0.05 -1.33 -1.08 0.00 0.00 179.45 176.94 3jwv n MET 614 N -4.23 0.72 -3.85 3.15 2.81 -0.21 -4.94 117.12 110.57 3jwv n MET 614 Ca -0.03 -0.16 -0.28 0.00 -1.81 0.00 0.00 57.70 55.42 3jwv n MET 614 Cb 0.14 -1.50 0.03 0.00 -0.71 0.00 0.00 33.22 31.18 3jwv n MET 614 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3jwv n ASP 615 N -0.99 -3.78 -4.81 7.83 4.64 0.63 -4.97 116.55 115.09 3jwv n ASP 615 Ca 0.16 -0.79 -0.33 0.00 -1.38 0.00 0.00 54.79 52.46 3jwv n ASP 615 Cb 0.24 -3.94 -0.00 0.00 -1.04 0.00 0.00 41.12 36.38 3jwv n ASP 615 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3jwv s LEU 616 N -7.12 3.56 -0.48 -2.67 1.43 -0.73 -4.96 118.68 107.72 3jwv s LEU 616 Ca 0.47 1.78 -0.28 0.00 -1.03 0.00 0.00 54.13 55.08 3jwv s LEU 616 Cb -0.24 -4.53 -0.01 0.00 0.03 0.00 0.00 46.19 41.44 3jwv s LEU 616 CO 0.82 -1.02 1.76 -0.62 0.23 0.00 0.00 176.35 177.53 3jwv s ASP 617 N -2.76 5.67 0.00 2.29 3.68 -1.26 -4.84 116.67 119.45 3jwv s ASP 617 Ca 0.63 0.76 0.23 0.00 2.13 0.00 0.00 52.55 56.30 3jwv s ASP 617 Cb -0.15 -2.53 0.48 0.00 -1.45 0.00 0.00 42.92 39.27 3jwv s ASP 617 CO 0.34 -1.98 1.43 0.23 0.13 0.00 0.00 175.17 175.32 3jwv n MET 618 N 8.74 2.56 -0.14 4.34 2.81 -1.26 -4.49 117.12 129.68 3jwv n MET 618 Ca 0.20 -2.39 -0.10 0.00 -1.81 0.00 0.00 57.70 53.61 3jwv n MET 618 Cb 0.49 -1.52 -0.01 0.00 -0.71 0.00 0.00 33.22 31.47 3jwv n MET 618 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3jwv h ARG 619 N 4.34 0.68 -5.64 0.03 3.08 -2.04 -3.44 114.38 111.38 3jwv h ARG 619 Ca 0.00 -0.18 -0.61 0.00 0.07 0.00 0.00 59.98 59.27 3jwv h ARG 619 Cb 0.98 -0.08 -0.31 0.00 0.08 0.00 0.00 29.97 30.64 3jwv h ARG 619 CO 0.00 0.71 -0.85 -1.59 -1.07 0.00 0.00 179.97 177.17 3jwv s LYS 620 N -5.23 1.96 0.51 0.04 -2.85 -1.26 -5.01 119.74 107.91 3jwv s LYS 620 Ca -0.13 -0.72 0.25 0.00 -1.00 0.00 0.00 55.97 54.37 3jwv s LYS 620 Cb 0.10 -1.73 1.35 0.00 -2.06 0.00 0.00 37.83 35.49 3jwv s LYS 620 CO 0.78 0.32 1.96 1.79 0.10 0.00 0.00 175.35 180.30 3jwv h THR 621 N 5.07 0.71 0.00 3.79 1.35 -1.92 -1.79 112.91 120.12 3jwv h THR 621 Ca -0.34 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 3jwv h THR 621 Cb 1.17 0.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 3jwv h THR 621 CO 0.48 0.01 0.00 -1.54 -0.25 0.00 0.00 175.52 174.22 3jwv n SER 622 N -4.38 0.00 0.05 5.36 3.41 -1.26 -0.34 113.62 116.47 3jwv n SER 622 Ca 0.12 0.32 0.10 0.00 -0.26 0.00 0.00 58.87 59.16 3jwv n SER 622 Cb 0.67 -0.41 0.42 0.00 -0.26 0.00 0.00 64.21 64.63 3jwv n SER 622 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3jwv n SER 623 N -1.41 0.31 -2.87 4.04 3.41 -0.67 -4.92 113.62 111.50 3jwv n SER 623 Ca 0.05 0.56 -0.22 0.00 -0.26 0.00 0.00 58.87 59.01 3jwv n SER 623 Cb 0.15 -0.63 0.02 0.00 -0.26 0.00 0.00 64.21 63.48 3jwv n SER 623 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3jwv n LEU 624 N -1.82 -2.33 -0.22 1.04 4.77 0.54 -4.89 117.00 114.08 3jwv n LEU 624 Ca 0.04 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 3jwv n LEU 624 Cb 0.24 -2.86 0.24 0.00 -2.33 0.00 0.00 43.42 38.70 3jwv n LEU 624 CO 0.19 0.10 1.23 4.11 -1.33 0.00 0.00 177.39 181.69 3jwv h TRP 625 N -0.95 0.96 -0.29 -1.77 5.08 -1.82 0.03 115.95 117.18 3jwv h TRP 625 Ca -0.50 0.02 -0.02 0.00 1.08 0.00 0.00 58.89 59.46 3jwv h TRP 625 Cb 1.35 -0.32 -0.01 0.00 -3.00 0.00 0.00 29.16 27.18 3jwv h TRP 625 CO 0.56 0.61 0.09 0.87 -1.28 0.00 0.00 178.44 179.29 3jwv h LYS 626 N 1.03 0.45 -0.85 0.12 1.57 -1.90 -0.86 116.57 116.13 3jwv h LYS 626 Ca 0.28 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 58.96 3jwv h LYS 626 Cb -0.10 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.10 3jwv h LYS 626 CO -0.06 0.51 0.56 -0.44 -0.57 0.00 0.00 179.45 179.45 3jwv h ASP 627 N 0.31 0.98 -0.03 0.86 5.19 -1.80 0.19 116.42 122.12 3jwv h ASP 627 Ca 0.09 -0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.47 3jwv h ASP 627 Cb 0.24 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 3jwv h ASP 627 CO -0.00 0.72 -0.00 1.56 -3.12 0.00 0.00 179.24 178.39 3jwv h GLN 628 N 1.16 0.05 -0.65 3.56 4.20 -0.73 -2.60 115.11 120.10 3jwv h GLN 628 Ca 0.31 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.93 3jwv h GLN 628 Cb -0.12 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 3jwv h GLN 628 CO -0.07 0.36 0.10 0.00 -0.67 0.00 0.00 178.83 178.56 3jwv h ALA 629 N 0.69 0.86 -0.37 3.87 0.00 -1.01 -2.94 119.26 120.36 3jwv h ALA 629 Ca 0.01 -0.27 0.08 0.00 0.00 0.00 0.00 54.91 54.73 3jwv h ALA 629 Cb 0.34 -0.24 -0.08 0.00 0.00 0.00 0.00 17.79 17.80 3jwv h ALA 629 CO 0.00 0.62 -0.20 1.25 0.00 0.00 0.00 179.25 180.93 3jwv h LEU 630 N 0.99 -0.68 -0.58 0.00 5.85 -0.88 -0.98 115.31 119.03 3jwv h LEU 630 Ca 0.20 0.15 0.01 0.00 0.84 0.00 0.00 57.88 59.08 3jwv h LEU 630 Cb 0.44 0.36 -0.03 0.00 0.37 0.00 0.00 40.66 41.79 3jwv h LEU 630 CO 0.01 -0.23 0.37 0.58 -0.34 0.00 0.00 178.44 178.83 3jwv h VAL 631 N -0.14 1.12 -0.94 1.05 2.07 -1.37 -2.40 116.25 115.65 3jwv h VAL 631 Ca 0.18 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3jwv h VAL 631 Cb 0.42 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 3jwv h VAL 631 CO -0.46 0.14 0.59 -0.33 0.02 0.00 0.00 177.57 177.53 3jwv h GLU 632 N 0.76 1.25 -0.62 1.57 4.39 -1.15 -0.55 114.58 120.24 3jwv h GLU 632 Ca 0.22 -0.10 -0.05 0.00 0.34 0.00 0.00 59.36 59.77 3jwv h GLU 632 Cb -0.05 -0.27 -0.03 0.00 -0.10 0.00 0.00 28.75 28.30 3jwv h GLU 632 CO -0.06 0.85 0.18 0.82 -1.16 0.00 0.00 179.01 179.64 3jwv h ILE 633 N 1.28 1.25 -0.10 3.13 2.04 -0.91 -1.43 117.51 122.77 3jwv h ILE 633 Ca 0.34 -0.86 -0.14 0.00 1.00 0.00 0.00 64.86 65.20 3jwv h ILE 633 Cb -0.10 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 3jwv h ILE 633 CO -0.07 0.33 -0.55 0.78 0.00 0.00 0.00 178.15 178.64 3jwv h ASN 634 N 0.89 0.33 -0.15 1.72 2.35 -0.93 -1.30 115.58 118.49 3jwv h ASN 634 Ca 0.20 -0.18 0.03 0.00 -0.55 0.00 0.00 56.30 55.80 3jwv h ASN 634 Cb 0.31 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.56 3jwv h ASN 634 CO -0.00 0.82 -0.01 0.40 -1.65 0.00 0.00 177.43 176.98 3jwv h ILE 635 N 0.23 0.88 -0.65 2.81 2.04 -0.89 -2.48 117.51 119.45 3jwv h ILE 635 Ca 0.00 -0.01 0.06 0.00 1.00 0.00 0.00 64.86 65.92 3jwv h ILE 635 Cb 1.04 0.85 -0.06 0.00 -0.74 0.00 0.00 36.82 37.91 3jwv h ILE 635 CO 0.09 0.01 0.35 0.00 0.00 0.00 0.00 178.15 178.59 3jwv h ALA 636 N 1.13 0.87 -0.28 1.87 0.00 -0.88 -0.49 119.26 121.48 3jwv h ALA 636 Ca 0.07 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3jwv h ALA 636 Cb 0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3jwv h ALA 636 CO -0.13 0.01 0.13 0.28 0.00 0.00 0.00 179.25 179.54 3jwv h VAL 637 N 0.64 1.16 -0.21 0.00 2.07 -1.14 -0.50 116.25 118.27 3jwv h VAL 637 Ca 0.30 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 3jwv h VAL 637 Cb 0.21 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3jwv h VAL 637 CO -0.20 0.16 0.02 -0.07 0.02 0.00 0.00 177.57 177.50 3jwv h LEU 638 N 0.32 0.35 -1.29 2.57 3.38 -1.21 -2.06 115.31 117.37 3jwv h LEU 638 Ca 0.10 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.81 3jwv h LEU 638 Cb 0.14 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 3jwv h LEU 638 CO -0.01 0.55 0.50 0.22 0.09 0.00 0.00 178.44 179.79 3jwv h TYR 639 N 0.14 0.89 -0.10 1.13 3.20 -1.03 -1.40 116.97 119.81 3jwv h TYR 639 Ca 0.06 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.82 3jwv h TYR 639 Cb 0.36 -0.30 0.01 0.00 1.54 0.00 0.00 36.73 38.34 3jwv h TYR 639 CO 0.03 0.52 -0.46 0.77 -1.64 0.00 0.00 178.16 177.38 3jwv h SER 640 N 0.92 0.58 -0.30 -2.11 0.02 -0.83 -1.86 113.55 109.97 3jwv h SER 640 Ca 0.30 -0.64 -0.01 0.00 -0.84 0.00 0.00 61.79 60.60 3jwv h SER 640 Cb 0.04 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 3jwv h SER 640 CO -0.08 1.12 0.17 -0.26 -1.14 0.00 0.00 176.83 176.63 3jwv h PHE 641 N 0.07 0.41 -0.17 3.45 -1.00 -1.25 -2.56 116.94 115.88 3jwv h PHE 641 Ca -0.03 -0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.74 3jwv h PHE 641 Cb 1.10 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 40.53 3jwv h PHE 641 CO 0.12 0.33 0.10 1.96 -1.61 0.00 0.00 178.31 179.20 3jwv h GLN 642 N 0.37 0.24 -0.30 1.51 4.20 -1.29 0.29 115.11 120.12 3jwv h GLN 642 Ca 0.11 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3jwv h GLN 642 Cb 0.05 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 3jwv h GLN 642 CO -0.02 0.22 0.20 0.77 -0.67 0.00 0.00 178.83 179.33 3jwv h SER 643 N 0.19 0.34 -0.25 1.46 0.02 -1.35 -1.29 113.55 112.67 3jwv h SER 643 Ca 0.06 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3jwv h SER 643 Cb 0.04 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.50 3jwv h SER 643 CO -0.01 0.25 0.00 0.47 -1.14 0.00 0.00 176.83 176.40 3jwv n ASP 644 N -4.49 2.47 -3.14 3.07 8.00 -0.97 -4.96 116.55 116.54 3jwv n ASP 644 Ca 0.01 -1.84 -0.20 0.00 0.71 0.00 0.00 54.79 53.48 3jwv n ASP 644 Cb 0.07 -0.16 0.07 0.00 -0.02 0.00 0.00 41.12 41.08 3jwv n ASP 644 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3jwv n LYS 645 N 0.86 -6.68 -4.21 -1.24 5.02 -0.47 -4.99 118.16 106.45 3jwv n LYS 645 Ca 0.17 0.71 -0.34 0.00 -2.02 0.00 0.00 58.31 56.83 3jwv n LYS 645 Cb 0.46 -5.39 -0.12 0.00 -0.02 0.00 0.00 35.03 29.96 3jwv n LYS 645 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3jwv s VAL 646 N -3.28 4.01 0.10 -0.18 1.01 -0.03 -4.28 120.40 117.74 3jwv s VAL 646 Ca 0.44 -0.31 -0.34 0.00 0.00 0.00 0.00 61.98 61.77 3jwv s VAL 646 Cb -0.19 -2.79 -0.14 0.00 0.00 0.00 0.00 36.38 33.26 3jwv s VAL 646 CO 0.62 0.46 1.62 0.41 0.00 0.00 0.00 175.10 178.21 3jwv n THR 647 N 3.87 0.12 -3.72 3.92 -1.04 -0.27 -4.24 114.28 112.94 3jwv n THR 647 Ca -0.17 -0.02 -0.11 0.00 -2.04 0.00 0.00 64.05 61.71 3jwv n THR 647 Cb 0.52 -1.54 -0.06 0.00 -1.82 0.00 0.00 70.33 67.43 3jwv n THR 647 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3jwv s ILE 648 N 1.56 0.08 -0.03 12.58 2.07 -1.26 -4.29 121.20 131.91 3jwv s ILE 648 Ca 0.82 -0.70 0.04 0.00 -1.41 0.00 0.00 60.65 59.40 3jwv s ILE 648 Cb -0.71 -1.09 -0.00 0.00 0.13 0.00 0.00 42.46 40.78 3jwv s ILE 648 CO 0.42 -0.39 -0.13 0.54 -1.91 0.00 0.00 174.94 173.47 3jwv s VAL 649 N -3.22 1.09 0.76 4.00 0.11 -0.57 -5.01 120.40 117.57 3jwv s VAL 649 Ca -0.00 -0.55 -0.11 0.00 -2.93 0.00 0.00 61.98 58.39 3jwv s VAL 649 Cb 0.01 -0.94 0.05 0.00 -1.53 0.00 0.00 36.38 33.97 3jwv s VAL 649 CO -0.08 0.32 1.13 1.51 -3.33 0.00 0.00 175.10 174.65 3jwv s ASP 650 N -0.01 4.92 0.35 3.54 -4.77 -1.26 -0.69 116.67 118.75 3jwv s ASP 650 Ca -0.01 0.89 0.18 0.00 -3.30 0.00 0.00 52.55 50.32 3jwv s ASP 650 Cb -0.09 -1.53 0.48 0.00 -1.09 0.00 0.00 42.92 40.69 3jwv s ASP 650 CO 0.01 -1.64 1.63 1.12 0.70 0.00 0.00 175.17 176.99 3jwv h HIS 651 N -0.84 0.00 -0.02 2.11 2.07 -1.98 -1.64 115.15 114.85 3jwv h HIS 651 Ca -0.45 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.06 3jwv h HIS 651 Cb 1.30 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.28 3jwv h HIS 651 CO 0.39 0.40 -0.00 0.45 -3.07 0.00 0.00 177.93 176.10 3jwv h HIS 652 N 0.00 0.03 -0.26 6.12 3.86 -1.96 -2.42 115.15 120.52 3jwv h HIS 652 Ca -0.00 -0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.14 3jwv h HIS 652 Cb 1.07 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.52 3jwv h HIS 652 CO 0.00 0.33 -0.09 1.03 0.86 0.00 0.00 177.93 180.07 3jwv h SER 653 N -0.28 0.53 -0.90 2.45 0.87 -1.94 -1.80 113.55 112.47 3jwv h SER 653 Ca 0.00 -0.38 -0.01 0.00 -1.23 0.00 0.00 61.79 60.17 3jwv h SER 653 Cb 0.32 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 62.09 3jwv h SER 653 CO 0.00 0.79 0.51 0.00 -0.53 0.00 0.00 176.83 177.60 3jwv h ALA 654 N 0.76 1.16 -0.09 6.23 0.00 -1.36 -0.97 119.26 124.98 3jwv h ALA 654 Ca 0.06 -0.12 -0.22 0.00 0.00 0.00 0.00 54.91 54.63 3jwv h ALA 654 Cb 0.57 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 18.01 3jwv h ALA 654 CO 0.03 0.65 -0.83 1.79 0.00 0.00 0.00 179.25 180.88 3jwv h THR 655 N 1.26 1.32 -0.48 0.00 1.35 -1.39 -1.15 112.91 113.82 3jwv h THR 655 Ca 0.32 -2.12 0.01 0.00 -0.55 0.00 0.00 66.41 64.07 3jwv h THR 655 Cb 0.00 2.14 -0.03 0.00 -1.73 0.00 0.00 68.15 68.53 3jwv h THR 655 CO -0.05 0.66 0.31 -0.08 -0.25 0.00 0.00 175.52 176.10 3jwv h GLU 656 N 0.41 0.61 -0.71 4.72 4.81 -1.05 -1.77 114.58 121.60 3jwv h GLU 656 Ca -0.06 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 3jwv h GLU 656 Cb 1.45 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.66 3jwv h GLU 656 CO 0.16 0.40 0.41 0.77 -0.73 0.00 0.00 179.01 180.02 3jwv h SER 657 N 0.62 0.88 -1.00 1.04 0.02 -1.13 -2.72 113.55 111.25 3jwv h SER 657 Ca 0.18 -0.08 0.02 0.00 -0.84 0.00 0.00 61.79 61.07 3jwv h SER 657 Cb -0.05 -0.22 -0.05 0.00 0.14 0.00 0.00 62.40 62.22 3jwv h SER 657 CO -0.05 0.70 0.66 0.15 -1.14 0.00 0.00 176.83 177.15 3jwv h PHE 658 N 0.98 1.25 -0.29 3.45 3.57 -0.94 0.85 116.94 125.80 3jwv h PHE 658 Ca 0.25 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.77 3jwv h PHE 658 Cb 0.00 -0.42 -0.01 0.00 2.79 0.00 0.00 35.95 38.31 3jwv h PHE 658 CO -0.01 0.76 0.11 0.82 -2.23 0.00 0.00 178.31 177.77 3jwv h ILE 659 N 1.33 1.18 -0.45 1.41 1.08 -1.09 0.15 117.51 121.13 3jwv h ILE 659 Ca 0.38 -0.57 0.04 0.00 -0.39 0.00 0.00 64.86 64.33 3jwv h ILE 659 Cb -0.10 1.01 -0.04 0.00 -3.07 0.00 0.00 36.82 34.62 3jwv h ILE 659 CO -0.10 0.19 0.20 0.11 -0.69 0.00 0.00 178.15 177.87 3jwv h LYS 660 N 0.32 0.39 -0.43 2.37 1.57 -1.17 -0.96 116.57 118.66 3jwv h LYS 660 Ca 0.10 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.92 3jwv h LYS 660 Cb 0.20 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.36 3jwv h LYS 660 CO -0.01 0.26 0.10 1.25 -0.57 0.00 0.00 179.45 180.48 3jwv h HIS 661 N 0.40 0.17 -0.54 -1.35 2.76 -0.59 -1.27 115.15 114.73 3jwv h HIS 661 Ca 0.20 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.34 3jwv h HIS 661 Cb 0.14 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.07 3jwv h HIS 661 CO -0.12 0.03 0.11 1.98 -1.30 0.00 0.00 177.93 178.63 3jwv h MET 662 N 0.24 0.88 -0.65 5.26 1.85 -0.25 -0.19 114.93 122.08 3jwv h MET 662 Ca 0.21 -0.22 -0.05 0.00 -0.61 0.00 0.00 59.70 59.03 3jwv h MET 662 Cb 0.25 -0.11 -0.03 0.00 0.43 0.00 0.00 31.60 32.14 3jwv h MET 662 CO -0.26 0.84 0.23 0.93 -0.40 0.00 0.00 176.91 178.25 3jwv h GLU 663 N 0.78 0.99 -0.55 0.39 5.08 -0.98 -1.66 114.58 118.64 3jwv h GLU 663 Ca 0.17 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3jwv h GLU 663 Cb 0.37 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 3jwv h GLU 663 CO 0.01 0.85 0.29 -0.97 -1.00 0.00 0.00 179.01 178.19 3jwv h ASN 664 N 0.93 0.69 -0.50 1.42 -1.24 -0.70 -2.31 115.58 113.87 3jwv h ASN 664 Ca 0.21 -0.10 0.00 0.00 0.71 0.00 0.00 56.30 57.12 3jwv h ASN 664 Cb 0.26 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.11 3jwv h ASN 664 CO -0.01 0.59 0.32 -0.33 -1.29 0.00 0.00 177.43 176.72 3jwv h GLU 665 N 0.73 0.66 -0.58 6.67 4.39 -0.82 -0.01 114.58 125.61 3jwv h GLU 665 Ca 0.19 -0.04 0.07 0.00 0.34 0.00 0.00 59.36 59.92 3jwv h GLU 665 Cb 0.06 -0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 28.51 3jwv h GLU 665 CO -0.03 0.45 0.26 1.88 -1.16 0.00 0.00 179.01 180.40 3jwv h TYR 666 N 0.67 0.46 -0.29 4.33 -1.99 -1.18 0.46 116.97 119.43 3jwv h TYR 666 Ca 0.18 0.03 -0.08 0.00 2.00 0.00 0.00 58.73 60.86 3jwv h TYR 666 Cb -0.06 -0.12 -0.01 0.00 2.00 0.00 0.00 36.73 38.54 3jwv h TYR 666 CO -0.04 0.17 -0.12 0.00 -0.00 0.00 0.00 178.16 178.18 3jwv h ARG 667 N 0.47 0.59 0.00 4.88 3.08 -0.79 -1.85 114.38 120.77 3jwv h ARG 667 Ca 0.28 -0.25 -0.33 0.00 0.07 0.00 0.00 59.98 59.76 3jwv h ARG 667 Cb 0.28 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.25 3jwv h ARG 667 CO -0.24 0.81 -2.02 0.00 -1.07 0.00 0.00 179.97 177.45 3jwv n ARG 669 N -2.91 2.52 -0.46 0.00 0.63 0.16 -5.00 116.66 111.61 3jwv n ARG 669 Ca -0.24 -0.03 0.00 0.00 -0.92 0.00 0.00 57.85 56.66 3jwv n ARG 669 Cb 1.10 -1.07 0.00 0.00 0.45 0.00 0.00 32.46 32.94 3jwv n ARG 669 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3jwv n GLY 670 N 1.46 0.73 0.00 5.14 0.00 -0.69 -4.61 105.19 107.22 3jwv n GLY 670 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3jwv n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jwv n GLY 671 N -2.04 0.17 2.94 -0.02 0.00 -1.15 -0.54 105.19 104.57 3jwv n GLY 671 Ca 0.00 -1.20 -0.07 0.00 0.00 0.00 0.00 46.02 44.75 3jwv n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jwv s PRO 673 N 2.59 4.29 -0.16 0.00 0.04 -1.26 -4.65 135.00 135.83 3jwv s PRO 673 Ca 0.11 2.24 -0.14 0.00 0.04 0.00 0.00 61.00 63.25 3jwv s PRO 673 Cb -0.13 -3.15 0.05 0.00 0.04 0.00 0.00 34.50 31.30 3jwv s PRO 673 CO -0.26 -0.43 0.43 0.00 0.04 0.00 0.00 177.00 176.78 3jwv s ALA 674 N 0.41 -1.07 -0.60 8.56 0.00 -0.06 -4.22 121.76 124.77 3jwv s ALA 674 Ca 0.62 1.30 -0.10 0.00 0.00 0.00 0.00 51.96 53.79 3jwv s ALA 674 Cb -0.41 -0.77 0.16 0.00 0.00 0.00 0.00 23.12 22.10 3jwv s ALA 674 CO 0.38 -0.22 0.49 0.34 0.00 0.00 0.00 175.76 176.75 3jwv s ASP 675 N 0.52 5.91 0.28 0.00 -1.08 -0.08 -3.57 116.67 118.66 3jwv s ASP 675 Ca -0.02 -2.32 0.02 0.00 -0.52 0.00 0.00 52.55 49.71 3jwv s ASP 675 Cb -0.04 -2.04 0.66 0.00 -1.46 0.00 0.00 42.92 40.03 3jwv s ASP 675 CO -0.03 -0.60 1.72 -0.25 0.52 0.00 0.00 175.17 176.52 3jwv h TRP 676 N 7.99 0.67 -0.64 -5.34 7.01 -1.93 0.24 115.95 123.96 3jwv h TRP 676 Ca -0.09 0.04 0.13 0.00 2.11 0.00 0.00 58.89 61.07 3jwv h TRP 676 Cb 1.04 -0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 27.90 3jwv h TRP 676 CO 0.76 0.02 0.43 0.28 -2.79 0.00 0.00 178.44 177.15 3jwv h VAL 677 N 0.46 0.83 0.02 2.65 2.07 -1.93 -1.59 116.25 118.76 3jwv h VAL 677 Ca 0.52 -0.11 -0.36 0.00 0.82 0.00 0.00 66.70 67.58 3jwv h VAL 677 Cb 0.92 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 31.11 3jwv h VAL 677 CO -0.48 0.06 -2.22 0.79 0.02 0.00 0.00 177.57 175.75 3jwv n TRP 678 N -4.46 0.39 -0.08 1.57 7.02 -0.25 -4.50 117.44 117.13 3jwv n TRP 678 Ca 0.11 0.11 -0.14 0.00 -1.02 0.00 0.00 57.50 56.57 3jwv n TRP 678 Cb 0.47 -1.06 -0.05 0.00 -2.42 0.00 0.00 31.31 28.26 3jwv n TRP 678 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 3jwv h ILE 679 N 0.01 1.30 -2.70 -0.99 1.08 -0.64 -3.43 117.51 112.14 3jwv h ILE 679 Ca -0.48 -1.59 -0.53 0.00 -0.39 0.00 0.00 64.86 61.86 3jwv h ILE 679 Cb 2.08 1.65 0.03 0.00 -3.07 0.00 0.00 36.82 37.51 3jwv h ILE 679 CO 0.02 0.51 0.99 -0.69 -0.69 0.00 0.00 178.15 178.29 3jwv s VAL 680 N -4.21 2.89 0.76 1.67 1.01 -0.63 -4.93 120.40 116.97 3jwv s VAL 680 Ca -0.12 0.43 -0.14 0.00 0.00 0.00 0.00 61.98 62.15 3jwv s VAL 680 Cb 0.09 -3.27 0.06 0.00 0.00 0.00 0.00 36.38 33.25 3jwv s VAL 680 CO 0.85 0.01 1.20 -2.84 0.00 0.00 0.00 175.10 174.32 3jwv s PRO 681 N 2.35 1.93 0.00 2.72 0.02 -1.26 -4.92 135.00 135.83 3jwv s PRO 681 Ca 0.74 1.74 0.29 0.00 0.02 0.00 0.00 61.00 63.79 3jwv s PRO 681 Cb -0.41 -1.81 1.67 0.00 0.02 0.00 0.00 34.50 33.96 3jwv s PRO 681 CO 0.32 -1.99 2.08 -0.35 -0.33 0.00 0.00 177.00 176.73 3jwv n PRO 682 N -2.99 1.07 -4.17 5.54 -0.04 -1.26 -4.27 135.00 128.89 3jwv n PRO 682 Ca 0.13 -0.11 -0.16 0.00 -0.04 0.00 0.00 63.50 63.32 3jwv n PRO 682 Cb 0.50 -1.46 -0.11 0.00 -0.04 0.00 0.00 33.50 32.39 3jwv n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3jwv s MET 683 N -2.00 0.81 -1.47 0.54 0.23 -1.26 -4.91 119.30 111.24 3jwv s MET 683 Ca 0.43 -1.04 -0.03 0.00 -1.03 0.00 0.00 55.69 54.02 3jwv s MET 683 Cb 0.20 -0.65 0.01 0.00 -1.53 0.00 0.00 34.83 32.87 3jwv s MET 683 CO 0.34 0.12 0.32 0.43 -2.03 0.00 0.00 175.02 174.20 3jwv n SER 684 N 0.95 -5.22 -0.24 -1.18 7.64 -1.26 -4.87 113.62 109.44 3jwv n SER 684 Ca -0.19 -0.14 -0.06 0.00 1.01 0.00 0.00 58.87 59.49 3jwv n SER 684 Cb 0.56 -4.30 -0.06 0.00 -1.01 0.00 0.00 64.21 59.40 3jwv n SER 684 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3jwv n GLY 685 N -1.20 -1.97 0.00 0.23 0.00 -1.26 -2.18 105.19 98.82 3jwv n GLY 685 Ca -0.14 0.76 0.14 0.00 0.00 0.00 0.00 46.02 46.79 3jwv n GLY 685 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jwv n SER 686 N -4.42 0.00 -0.56 1.61 3.41 -1.26 -2.00 113.62 110.40 3jwv n SER 686 Ca 0.01 -0.03 0.09 0.00 -0.26 0.00 0.00 58.87 58.69 3jwv n SER 686 Cb 0.15 -0.32 0.33 0.00 -0.26 0.00 0.00 64.21 64.11 3jwv n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3jwv n ILE 687 N -1.32 0.26 -4.20 -1.33 -5.35 -0.93 -4.81 119.36 101.69 3jwv n ILE 687 Ca 0.13 -0.37 -0.32 0.00 -0.27 0.00 0.00 62.75 61.92 3jwv n ILE 687 Cb 0.25 0.33 -0.08 0.00 -1.74 0.00 0.00 39.64 38.40 3jwv n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3jwv s THR 688 N -1.74 4.32 0.30 7.28 -4.23 -0.85 -5.03 115.64 115.69 3jwv s THR 688 Ca 0.30 -0.61 0.28 0.00 -1.18 0.00 0.00 61.69 60.48 3jwv s THR 688 Cb 0.16 -2.97 0.29 0.00 1.34 0.00 0.00 72.50 71.32 3jwv s THR 688 CO 0.24 0.32 2.00 1.55 -0.54 0.00 0.00 174.62 178.18 3jwv h PRO 689 N 4.07 0.00 -0.16 3.99 0.13 -1.87 -2.91 132.00 135.25 3jwv h PRO 689 Ca -0.49 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.58 3jwv h PRO 689 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3jwv h PRO 689 CO 0.60 0.14 -0.18 -0.39 -0.23 0.00 0.00 178.00 177.94 3jwv h VAL 690 N 0.00 1.21 -0.96 1.56 -1.51 -1.89 -2.80 116.25 111.86 3jwv h VAL 690 Ca -0.00 -0.93 0.16 0.00 -1.23 0.00 0.00 66.70 64.70 3jwv h VAL 690 Cb 0.47 1.28 -0.09 0.00 -2.13 0.00 0.00 31.29 30.83 3jwv h VAL 690 CO 0.02 0.29 0.61 0.15 -1.23 0.00 0.00 177.57 177.40 3jwv h PHE 691 N 0.25 0.95 -0.05 5.19 3.57 -1.70 -1.80 116.94 123.35 3jwv h PHE 691 Ca 0.05 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3jwv h PHE 691 Cb 0.46 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.91 3jwv h PHE 691 CO 0.01 0.29 0.00 0.72 -2.23 0.00 0.00 178.31 177.10 3jwv n HIS 692 N -4.64 0.04 -3.39 0.41 8.25 -1.06 -4.84 115.22 109.98 3jwv n HIS 692 Ca 0.20 -0.02 -0.39 0.00 -0.26 0.00 0.00 57.72 57.25 3jwv n HIS 692 Cb 0.51 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.53 3jwv n HIS 692 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3jwv s GLN 693 N -1.96 3.95 0.43 -0.41 2.00 -0.68 -0.90 119.66 122.09 3jwv s GLN 693 Ca 0.36 -0.02 -0.24 0.00 -2.00 0.00 0.00 55.36 53.45 3jwv s GLN 693 Cb 0.20 -3.68 -0.08 0.00 0.80 0.00 0.00 33.01 30.26 3jwv s GLN 693 CO 0.32 -0.31 1.22 -1.21 -0.50 0.00 0.00 175.29 174.81 3jwv s GLU 694 N 2.07 3.86 0.05 1.67 2.02 -0.76 -4.98 118.70 122.63 3jwv s GLU 694 Ca 0.15 1.94 -0.01 0.00 0.02 0.00 0.00 54.97 57.07 3jwv s GLU 694 Cb -0.16 -2.58 -0.04 0.00 0.10 0.00 0.00 34.13 31.45 3jwv s GLU 694 CO 0.10 -0.51 -0.04 -1.64 0.02 0.00 0.00 175.26 173.20 3jwv s MET 695 N -2.45 0.61 -0.08 1.61 -1.94 -1.26 -4.62 119.30 111.17 3jwv s MET 695 Ca 0.60 -1.18 0.03 0.00 -1.71 0.00 0.00 55.69 53.43 3jwv s MET 695 Cb -0.33 0.14 0.01 0.00 2.01 0.00 0.00 34.83 36.66 3jwv s MET 695 CO 0.41 -0.09 -0.18 -0.51 -0.01 0.00 0.00 175.02 174.64 3jwv s LEU 696 N -2.80 1.87 -0.15 -0.03 1.43 -1.26 -4.97 118.68 112.77 3jwv s LEU 696 Ca 0.06 -0.42 -0.03 0.00 -1.03 0.00 0.00 54.13 52.71 3jwv s LEU 696 Cb 0.06 -1.10 -0.03 0.00 0.03 0.00 0.00 46.19 45.15 3jwv s LEU 696 CO -0.08 0.10 -0.05 0.21 0.23 0.00 0.00 176.35 176.76 3jwv s ASN 697 N 0.46 4.71 0.15 2.29 3.04 -1.23 -0.88 114.94 123.47 3jwv s ASN 697 Ca -0.15 -0.14 -0.24 0.00 0.04 0.00 0.00 52.86 52.37 3jwv s ASN 697 Cb -0.16 -1.72 0.07 0.00 -1.54 0.00 0.00 41.25 37.89 3jwv s ASN 697 CO 0.06 0.18 0.67 -0.72 -3.04 0.00 0.00 177.10 174.25 3jwv s TYR 698 N 0.27 -0.46 -0.26 0.43 -0.85 -1.26 -4.96 117.35 110.25 3jwv s TYR 698 Ca -0.04 0.23 -0.07 0.00 -0.52 0.00 0.00 57.07 56.67 3jwv s TYR 698 Cb -0.14 0.58 -0.01 0.00 0.38 0.00 0.00 41.96 42.76 3jwv s TYR 698 CO 0.03 -0.84 0.07 1.03 -1.52 0.00 0.00 175.55 174.31 3jwv s ARG 699 N -3.66 3.42 0.13 -3.49 0.52 -1.26 -4.82 118.95 109.79 3jwv s ARG 699 Ca 0.03 -0.63 0.06 0.00 -0.52 0.00 0.00 55.73 54.67 3jwv s ARG 699 Cb -0.02 -3.32 -0.04 0.00 0.52 0.00 0.00 34.95 32.10 3jwv s ARG 699 CO -0.10 -0.29 -0.02 -0.51 0.02 0.00 0.00 175.30 174.41 3jwv s LEU 700 N 1.56 3.33 0.17 2.53 1.43 -1.26 -3.74 118.68 122.69 3jwv s LEU 700 Ca 0.05 -0.31 0.08 0.00 -1.03 0.00 0.00 54.13 52.93 3jwv s LEU 700 Cb -0.16 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 3jwv s LEU 700 CO 0.03 0.14 -0.07 0.42 0.23 0.00 0.00 176.35 177.09 3jwv s THR 701 N -1.47 3.36 0.73 5.49 -4.23 -1.26 -4.19 115.64 114.07 3jwv s THR 701 Ca 0.26 -1.54 -0.16 0.00 -1.18 0.00 0.00 61.69 59.07 3jwv s THR 701 Cb -0.11 -2.66 -0.01 0.00 1.34 0.00 0.00 72.50 71.06 3jwv s THR 701 CO 0.18 -0.08 0.76 -2.65 -0.54 0.00 0.00 174.62 172.28 3jwv n PRO 702 N 0.09 0.38 -3.78 3.99 -0.02 -1.26 -5.00 135.00 129.39 3jwv n PRO 702 Ca -0.11 0.18 -0.12 0.00 -2.02 0.00 0.00 63.50 61.43 3jwv n PRO 702 Cb 0.55 -2.03 -0.08 0.00 -0.02 0.00 0.00 33.50 31.92 3jwv n PRO 702 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3jwv s SER 703 N -1.58 -0.10 -0.07 2.55 1.04 -0.86 -3.88 113.70 110.80 3jwv s SER 703 Ca 0.69 -0.15 -0.17 0.00 0.48 0.00 0.00 55.95 56.81 3jwv s SER 703 Cb -0.34 0.32 -0.05 0.00 0.10 0.00 0.00 66.02 66.05 3jwv s SER 703 CO 0.54 -0.54 0.46 -0.36 0.98 0.00 0.00 173.24 174.32 3jwv s PHE 704 N -2.12 3.59 0.14 5.02 0.40 -1.26 -0.95 117.98 122.80 3jwv s PHE 704 Ca -0.08 0.93 0.08 0.00 -0.60 0.00 0.00 56.93 57.26 3jwv s PHE 704 Cb -0.03 -2.47 -0.04 0.00 0.51 0.00 0.00 43.02 41.00 3jwv s PHE 704 CO -0.01 0.33 -0.18 -1.21 0.70 0.00 0.00 175.22 174.86 3jwv s GLU 705 N 0.02 1.19 0.61 0.44 0.41 0.82 -4.94 118.70 117.25 3jwv s GLU 705 Ca 0.25 -1.33 -0.14 0.00 -0.41 0.00 0.00 54.97 53.34 3jwv s GLU 705 Cb -0.16 -1.24 -0.03 0.00 -1.78 0.00 0.00 34.13 30.92 3jwv s GLU 705 CO 0.11 0.26 1.05 0.71 -0.49 0.00 0.00 175.26 176.90 3jwv s TYR 706 N -1.92 3.08 0.06 1.61 1.51 -1.26 -0.16 117.35 120.27 3jwv s TYR 706 Ca 0.12 1.48 -0.03 0.00 -1.01 0.00 0.00 57.07 57.63 3jwv s TYR 706 Cb -0.06 -2.95 -0.03 0.00 -0.11 0.00 0.00 41.96 38.81 3jwv s TYR 706 CO 0.05 -1.07 0.04 1.14 -1.11 0.00 0.00 175.55 174.60 3jwv s GLN 707 N -4.36 0.67 0.57 -0.62 -2.07 -1.26 -4.74 119.66 107.85 3jwv s GLN 707 Ca 0.61 -1.11 -0.18 0.00 -1.82 0.00 0.00 55.36 52.86 3jwv s GLN 707 Cb -0.15 0.25 -0.05 0.00 -1.09 0.00 0.00 33.01 31.97 3jwv s GLN 707 CO 0.42 -0.16 1.12 -1.25 -1.32 0.00 0.00 175.29 174.10 3jwv s PRO 708 N -3.79 3.25 0.30 9.60 0.04 -1.26 -4.94 135.00 138.20 3jwv s PRO 708 Ca 0.05 1.55 -0.30 0.00 0.04 0.00 0.00 61.00 62.35 3jwv s PRO 708 Cb 0.06 -2.00 -0.12 0.00 0.04 0.00 0.00 34.50 32.48 3jwv s PRO 708 CO -0.10 -0.92 1.47 -0.25 0.04 0.00 0.00 177.00 177.25 3jwv n ASP 709 N -1.54 3.36 0.21 6.66 8.00 -1.26 -4.89 116.55 127.09 3jwv n ASP 709 Ca 0.11 1.17 0.07 0.00 0.71 0.00 0.00 54.79 56.85 3jwv n ASP 709 Cb 0.51 -1.53 0.46 0.00 -0.02 0.00 0.00 41.12 40.54 3jwv n ASP 709 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3jwv h PRO 710 N 3.96 0.00 0.00 -0.24 0.13 -1.92 -2.10 132.00 131.83 3jwv h PRO 710 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 3jwv h PRO 710 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 3jwv h PRO 710 CO 0.73 0.29 -0.09 0.11 -0.23 0.00 0.00 178.00 178.82 3jwv h TRP 711 N 0.00 0.00 0.00 1.56 0.09 -1.95 0.15 115.95 115.80 3jwv h TRP 711 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 58.89 58.88 3jwv h TRP 711 Cb 0.66 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 29.89 3jwv h TRP 711 CO 0.00 0.09 -0.45 -0.91 0.09 0.00 0.00 178.44 177.26 3jwv h ASN 712 N 0.00 0.00 0.00 0.11 2.35 -1.75 -3.38 115.58 112.91 3jwv h ASN 712 Ca -0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 3jwv h ASN 712 Cb 0.29 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.66 3jwv h ASN 712 CO 0.01 0.45 -1.15 0.35 -1.65 0.00 0.00 177.43 175.44 3jwv n THR 713 N -3.55 0.06 -1.83 2.81 -2.24 -0.71 -5.07 114.28 103.76 3jwv n THR 713 Ca -0.00 -0.08 -0.41 0.00 -2.27 0.00 0.00 64.05 61.28 3jwv n THR 713 Cb 0.56 -0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.78 3jwv n THR 713 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3jwv s HIS 714 N -2.16 2.75 -0.49 4.78 5.04 0.46 -4.97 115.29 120.70 3jwv s HIS 714 Ca -0.01 0.95 -0.20 0.00 -1.54 0.00 0.00 55.06 54.26 3jwv s HIS 714 Cb 0.02 -4.01 0.05 0.00 0.04 0.00 0.00 32.58 28.67 3jwv s HIS 714 CO 0.12 -3.24 0.65 0.08 -2.34 0.00 0.00 174.74 170.02 3jwv s VAL 715 N -0.38 4.82 0.16 0.89 1.01 -1.26 -5.01 120.40 120.62 3jwv s VAL 715 Ca 0.59 -0.25 -0.31 0.00 0.00 0.00 0.00 61.98 62.01 3jwv s VAL 715 Cb -0.46 -4.29 -0.09 0.00 0.00 0.00 0.00 36.38 31.54 3jwv s VAL 715 CO 0.52 -0.77 1.42 0.26 0.00 0.00 0.00 175.10 176.53 3jwv s TRP 716 N 2.79 3.18 -0.23 5.22 0.52 -1.26 -4.87 118.94 124.29 3jwv s TRP 716 Ca 0.18 0.94 -0.00 0.00 0.02 0.00 0.00 56.10 57.25 3jwv s TRP 716 Cb -0.17 -3.73 -0.19 0.00 -1.15 0.00 0.00 33.47 28.23 3jwv s TRP 716 CO 0.15 -2.53 -0.12 1.63 0.02 0.00 0.00 176.95 176.10 3jwv n LYS 717 N 3.52 0.67 -0.50 4.98 5.02 -1.26 -5.12 118.16 125.48 3jwv n LYS 717 Ca 0.10 0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 3jwv n LYS 717 Cb 0.41 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 3jwv n LYS 717 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29