#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nkq n TYR 303 N 0.00 0.02 -0.07 0.66 4.02 -1.26 -2.00 117.16 118.53 1nkq n TYR 303 Ca 0.00 -0.13 0.21 0.00 -0.01 0.00 0.00 57.90 57.97 1nkq n TYR 303 Cb 0.00 -0.01 0.67 0.00 -0.02 0.00 0.00 39.34 39.97 1nkq n TYR 303 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 1nkq h ASN 304 N 0.37 0.07 -0.15 7.72 2.35 -1.80 -1.52 115.58 122.62 1nkq h ASN 304 Ca 0.00 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.80 1nkq h ASN 304 Cb 0.20 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 1nkq h ASN 304 CO 0.00 0.03 0.17 0.10 -1.65 0.00 0.00 177.43 176.08 1nkq h TYR 305 N 0.07 0.00 -0.07 1.19 -0.00 -1.88 -0.38 116.97 115.89 1nkq h TYR 305 Ca 0.32 0.00 0.02 0.00 0.00 0.00 0.00 58.73 59.07 1nkq h TYR 305 Cb 1.15 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.88 1nkq h TYR 305 CO -0.00 0.00 0.06 -0.07 -0.00 0.00 0.00 178.16 178.15 1nkq h LEU 306 N 0.00 0.00 -0.27 0.10 4.07 -1.55 -0.73 115.31 116.93 1nkq h LEU 306 Ca 0.07 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.97 1nkq h LEU 306 Cb 0.41 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.14 1nkq h LEU 306 CO -0.00 0.00 -0.30 0.11 -1.08 0.00 0.00 178.44 177.17 1nkq h LYS 307 N 0.00 0.00 -0.02 1.13 1.57 -1.26 -3.21 116.57 114.78 1nkq h LYS 307 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1nkq h LYS 307 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1nkq h LYS 307 CO -0.00 0.30 -0.00 0.00 -0.57 0.00 0.00 179.45 179.18 1nkq n ALA 308 N -2.19 2.52 -2.59 3.86 0.00 -0.31 -4.85 120.51 116.96 1nkq n ALA 308 Ca 0.02 -0.57 -0.42 0.00 0.00 0.00 0.00 53.44 52.47 1nkq n ALA 308 Cb 0.61 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 19.05 1nkq n ALA 308 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nkq s ALA 309 N -2.00 3.03 -0.29 0.00 0.00 -1.05 -4.48 121.76 116.97 1nkq s ALA 309 Ca 0.33 -0.84 0.24 0.00 0.00 0.00 0.00 51.96 51.69 1nkq s ALA 309 Cb 0.20 -3.99 0.49 0.00 0.00 0.00 0.00 23.12 19.83 1nkq s ALA 309 CO 0.32 -2.59 1.66 0.00 0.00 0.00 0.00 175.76 175.14 1nkq h ARG 310 N 9.49 0.00 -2.92 0.00 3.08 -1.87 -3.47 114.38 118.69 1nkq h ARG 310 Ca -0.25 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.83 1nkq h ARG 310 Cb 1.06 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.01 1nkq h ARG 310 CO 1.17 0.08 0.25 -1.59 -1.07 0.00 0.00 179.97 178.81 1nkq s LYS 311 N -3.27 1.43 -0.15 0.04 -2.85 -1.26 -4.98 119.74 108.69 1nkq s LYS 311 Ca 0.05 -0.65 -0.00 0.00 -1.00 0.00 0.00 55.97 54.37 1nkq s LYS 311 Cb 0.06 0.57 0.04 0.00 -2.06 0.00 0.00 37.83 36.44 1nkq s LYS 311 CO 0.66 -0.64 -0.06 0.42 0.10 0.00 0.00 175.35 175.83 1nkq s ILE 312 N -3.75 1.11 0.00 3.79 1.01 -1.26 -1.76 121.20 120.35 1nkq s ILE 312 Ca 0.05 -0.54 0.07 0.00 0.00 0.00 0.00 60.65 60.24 1nkq s ILE 312 Cb -0.03 -1.23 -0.03 0.00 0.01 0.00 0.00 42.46 41.19 1nkq s ILE 312 CO -0.05 0.21 -0.20 -0.63 0.00 0.00 0.00 174.94 174.27 1nkq s ILE 313 N 1.65 2.57 0.06 2.92 1.09 -0.77 -2.27 121.20 126.44 1nkq s ILE 313 Ca 0.02 -1.08 0.04 0.00 -1.10 0.00 0.00 60.65 58.53 1nkq s ILE 313 Cb -0.14 -2.00 -0.03 0.00 -1.06 0.00 0.00 42.46 39.23 1nkq s ILE 313 CO -0.08 0.47 -0.12 0.00 -0.10 0.00 0.00 174.94 175.11 1nkq s ILE 315 N -1.34 4.49 0.41 0.00 2.07 -0.85 -1.65 121.20 124.33 1nkq s ILE 315 Ca -0.05 -0.71 0.08 0.00 -1.41 0.00 0.00 60.65 58.56 1nkq s ILE 315 Cb -0.10 -3.13 -0.02 0.00 0.13 0.00 0.00 42.46 39.34 1nkq s ILE 315 CO 0.02 0.18 0.36 -0.83 -1.91 0.00 0.00 174.94 172.76 1nkq s GLY 316 N -2.20 2.11 -0.28 1.50 0.00 -1.00 -4.00 107.32 103.45 1nkq s GLY 316 Ca 0.27 -1.88 -0.01 0.00 0.00 0.00 0.00 44.72 43.10 1nkq s GLY 316 CO 0.19 -1.70 0.21 0.54 0.00 0.00 0.00 173.10 172.35 1nkq n ARG 317 N -1.52 -0.56 -0.22 2.90 1.74 -1.26 -4.72 116.66 113.03 1nkq n ARG 317 Ca 0.03 0.28 0.09 0.00 -0.77 0.00 0.00 57.85 57.48 1nkq n ARG 317 Cb 0.62 -0.77 0.15 0.00 -1.02 0.00 0.00 32.46 31.43 1nkq n ARG 317 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1nkq n ASN 318 N -0.52 2.11 -3.89 0.55 4.05 -1.26 -4.94 115.26 111.35 1nkq n ASN 318 Ca -0.11 -3.22 -0.21 0.00 0.45 0.00 0.00 54.58 51.49 1nkq n ASN 318 Cb 0.25 -0.44 -0.17 0.00 1.23 0.00 0.00 39.78 40.65 1nkq n ASN 318 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 1nkq s TYR 319 N -2.82 0.85 0.55 1.20 1.51 -1.26 -1.26 117.35 116.12 1nkq s TYR 319 Ca 0.32 -0.27 -0.17 0.00 -1.01 0.00 0.00 57.07 55.94 1nkq s TYR 319 Cb 0.29 -0.76 -0.06 0.00 -0.11 0.00 0.00 41.96 41.33 1nkq s TYR 319 CO 0.00 -0.24 1.04 0.00 -1.11 0.00 0.00 175.55 175.24 1nkq s ALA 320 N 1.09 2.84 0.17 3.71 0.00 0.66 -4.85 121.76 125.38 1nkq s ALA 320 Ca -0.08 0.40 0.01 0.00 0.00 0.00 0.00 51.96 52.29 1nkq s ALA 320 Cb -0.14 -3.21 0.04 0.00 0.00 0.00 0.00 23.12 19.81 1nkq s ALA 320 CO -0.01 -0.56 1.41 0.00 0.00 0.00 0.00 175.76 176.61 1nkq h ALA 321 N 0.83 0.58 -2.47 0.00 0.00 -1.88 -3.45 119.26 112.88 1nkq h ALA 321 Ca -0.48 -0.65 -0.09 0.00 0.00 0.00 0.00 54.91 53.69 1nkq h ALA 321 Cb 1.21 -0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.80 1nkq h ALA 321 CO 0.59 0.82 -0.42 -1.01 0.00 0.00 0.00 179.25 179.23 1nkq s HIS 322 N -3.44 0.20 0.29 0.00 3.76 -1.26 -4.95 115.29 109.90 1nkq s HIS 322 Ca -0.04 -0.65 0.03 0.00 -0.15 0.00 0.00 55.06 54.24 1nkq s HIS 322 Cb 0.10 -0.11 0.44 0.00 1.11 0.00 0.00 32.58 34.13 1nkq s HIS 322 CO 0.83 -0.52 1.74 0.82 -0.85 0.00 0.00 174.74 176.76 1nkq h ILE 323 N 2.81 1.26 -0.89 0.60 2.04 -1.94 -3.01 117.51 118.38 1nkq h ILE 323 Ca -0.34 -1.23 0.22 0.00 1.00 0.00 0.00 64.86 64.50 1nkq h ILE 323 Cb 1.19 1.34 -0.12 0.00 -0.74 0.00 0.00 36.82 38.49 1nkq h ILE 323 CO 0.58 0.39 0.38 0.11 0.00 0.00 0.00 178.15 179.60 1nkq h LYS 324 N 0.40 0.37 -4.65 2.37 1.79 -2.01 -3.33 116.57 111.52 1nkq h LYS 324 Ca 0.06 -0.02 -0.69 0.00 -2.18 0.00 0.00 60.65 57.82 1nkq h LYS 324 Cb 0.65 -0.08 -0.20 0.00 -1.58 0.00 0.00 32.23 31.01 1nkq h LYS 324 CO 0.05 0.25 -0.48 -1.83 -1.08 0.00 0.00 179.45 176.36 1nkq s GLU 325 N -5.89 3.26 -0.25 3.15 -1.05 -1.14 -5.21 118.70 111.56 1nkq s GLU 325 Ca -0.12 -0.81 -0.12 0.00 -0.15 0.00 0.00 54.97 53.77 1nkq s GLU 325 Cb 0.25 -3.83 0.09 0.00 -0.44 0.00 0.00 34.13 30.20 1nkq s GLU 325 CO 0.78 -0.56 0.59 -0.51 0.95 0.00 0.00 175.26 176.51 1nkq s LEU 326 N 1.68 -0.76 0.00 1.83 1.43 -1.25 -4.61 118.68 117.00 1nkq s LEU 326 Ca 0.05 1.33 0.00 0.00 -1.03 0.00 0.00 54.13 54.48 1nkq s LEU 326 Cb -0.18 2.02 0.00 0.00 0.03 0.00 0.00 46.19 48.06 1nkq s LEU 326 CO 0.10 -0.22 0.00 1.67 0.23 0.00 0.00 176.35 178.12 1nkq n GLN 333 N 4.67 0.00 -2.48 1.70 0.00 -1.26 -5.07 117.38 114.94 1nkq n GLN 333 Ca -0.18 0.00 -0.33 0.00 -0.00 0.00 0.00 57.00 56.49 1nkq n GLN 333 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.76 1nkq n GLN 333 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1nkq s PRO 334 N 0.00 3.80 0.16 3.69 0.04 -1.26 -5.07 135.00 136.36 1nkq s PRO 334 Ca 0.00 1.25 0.10 0.00 0.04 0.00 0.00 61.00 62.40 1nkq s PRO 334 Cb 0.00 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 1nkq s PRO 334 CO 0.00 -0.42 -0.20 -0.59 0.04 0.00 0.00 177.00 175.83 1nkq s PHE 335 N -2.16 2.42 0.18 0.56 -0.12 -1.26 -5.06 117.98 112.53 1nkq s PHE 335 Ca 0.65 -0.32 0.03 0.00 -0.05 0.00 0.00 56.93 57.24 1nkq s PHE 335 Cb -0.14 -1.23 -0.05 0.00 -0.63 0.00 0.00 43.02 40.97 1nkq s PHE 335 CO 0.23 0.45 -0.03 -0.06 -0.05 0.00 0.00 175.22 175.76 1nkq s PHE 336 N -1.45 1.29 0.06 3.49 0.40 -1.26 -2.38 117.98 118.13 1nkq s PHE 336 Ca 0.20 -0.93 -0.25 0.00 -0.60 0.00 0.00 56.93 55.35 1nkq s PHE 336 Cb -0.09 -0.72 0.06 0.00 0.51 0.00 0.00 43.02 42.78 1nkq s PHE 336 CO 0.10 -0.10 0.58 -0.59 0.70 0.00 0.00 175.22 175.92 1nkq s PHE 337 N -3.52 -0.52 0.30 0.36 -0.12 -0.66 -4.99 117.98 108.84 1nkq s PHE 337 Ca 0.23 0.58 0.06 0.00 -0.05 0.00 0.00 56.93 57.75 1nkq s PHE 337 Cb 0.05 0.42 -0.02 0.00 -0.63 0.00 0.00 43.02 42.85 1nkq s PHE 337 CO 0.04 -0.70 0.43 -0.51 -0.05 0.00 0.00 175.22 174.43 1nkq s LEU 338 N -2.03 4.10 0.00 -1.99 1.43 -1.26 -0.32 118.68 118.61 1nkq s LEU 338 Ca -0.05 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 52.98 1nkq s LEU 338 Cb -0.01 -2.79 -0.01 0.00 0.03 0.00 0.00 46.19 43.41 1nkq s LEU 338 CO -0.02 -0.30 -0.06 -0.54 0.23 0.00 0.00 176.35 175.66 1nkq s LYS 339 N -4.11 0.44 0.31 1.70 1.02 -0.96 -4.85 119.74 113.29 1nkq s LYS 339 Ca 0.41 -0.25 -0.28 0.00 0.02 0.00 0.00 55.97 55.87 1nkq s LYS 339 Cb -0.09 -0.40 -0.09 0.00 -0.52 0.00 0.00 37.83 36.72 1nkq s LYS 339 CO 0.30 0.11 1.08 -2.14 -0.92 0.00 0.00 175.35 173.78 1nkq s PRO 340 N -0.28 4.51 0.62 -1.68 0.02 -1.26 -4.07 135.00 132.87 1nkq s PRO 340 Ca 0.01 1.72 0.40 0.00 0.02 0.00 0.00 61.00 63.15 1nkq s PRO 340 Cb -0.03 -3.01 2.04 0.00 0.02 0.00 0.00 34.50 33.52 1nkq s PRO 340 CO -0.00 0.12 2.24 1.79 -0.33 0.00 0.00 177.00 180.82 1nkq h THR 341 N 2.84 0.04 0.00 0.99 1.35 -1.93 0.28 112.91 116.48 1nkq h THR 341 Ca -0.47 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 1nkq h THR 341 Cb 1.21 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 1nkq h THR 341 CO 0.66 0.01 0.00 -1.54 -0.25 0.00 0.00 175.52 174.39 1nkq n SER 342 N -3.13 0.00 -0.30 5.36 3.41 -1.26 -1.83 113.62 115.87 1nkq n SER 342 Ca -0.02 0.10 0.14 0.00 -0.26 0.00 0.00 58.87 58.83 1nkq n SER 342 Cb 0.15 -0.32 0.51 0.00 -0.26 0.00 0.00 64.21 64.30 1nkq n SER 342 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1nkq n SER 343 N -1.32 1.04 -4.75 4.04 3.41 0.09 -4.27 113.62 111.86 1nkq n SER 343 Ca 0.08 -1.08 -0.41 0.00 -0.26 0.00 0.00 58.87 57.20 1nkq n SER 343 Cb 0.16 0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.12 1nkq n SER 343 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1nkq s ILE 344 N -2.27 2.74 -0.06 -1.33 1.01 -0.76 -2.04 121.20 118.49 1nkq s ILE 344 Ca 0.32 0.63 -0.06 0.00 0.00 0.00 0.00 60.65 61.54 1nkq s ILE 344 Cb 0.20 -3.40 0.01 0.00 0.01 0.00 0.00 42.46 39.28 1nkq s ILE 344 CO 0.43 0.11 0.17 0.54 0.00 0.00 0.00 174.94 176.18 1nkq s VAL 345 N -0.16 0.01 0.21 2.92 0.11 -1.26 -4.57 120.40 117.65 1nkq s VAL 345 Ca 0.57 -0.07 0.11 0.00 -2.93 0.00 0.00 61.98 59.66 1nkq s VAL 345 Cb -0.41 -0.26 -0.05 0.00 -1.53 0.00 0.00 36.38 34.14 1nkq s VAL 345 CO 0.44 -0.04 -0.22 0.42 -3.33 0.00 0.00 175.10 172.37 1nkq s THR 346 N -0.06 2.28 0.65 5.04 -4.23 0.58 -1.20 115.64 118.69 1nkq s THR 346 Ca -0.02 -2.10 -0.17 0.00 -1.18 0.00 0.00 61.69 58.22 1nkq s THR 346 Cb -0.02 -2.12 -0.06 0.00 1.34 0.00 0.00 72.50 71.65 1nkq s THR 346 CO 0.00 -0.22 0.59 -0.81 -0.54 0.00 0.00 174.62 173.64 1nkq n PRO 347 N 0.06 0.47 0.21 3.99 -0.04 -1.26 -1.66 135.00 136.76 1nkq n PRO 347 Ca -0.11 0.19 0.17 0.00 -0.04 0.00 0.00 63.50 63.72 1nkq n PRO 347 Cb 0.57 -1.83 0.84 0.00 -0.04 0.00 0.00 33.50 33.04 1nkq n PRO 347 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1nkq h LEU 348 N -0.01 0.00 -1.75 1.53 3.38 -1.79 -0.77 115.31 115.90 1nkq h LEU 348 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1nkq h LEU 348 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1nkq h LEU 348 CO 0.45 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.44 1nkq n SER 349 N -3.75 2.64 0.16 -0.43 3.41 -1.26 -4.84 113.62 109.55 1nkq n SER 349 Ca 0.02 -1.87 -0.07 0.00 -0.26 0.00 0.00 58.87 56.69 1nkq n SER 349 Cb 0.33 -0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 64.09 1nkq n SER 349 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1nkq h SER 350 N 3.54 -0.37 0.00 4.04 4.64 -1.46 -3.53 113.55 120.41 1nkq h SER 350 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1nkq h SER 350 Cb 0.77 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1nkq h SER 350 CO 0.00 -0.17 0.00 -2.65 -0.87 0.00 0.00 176.83 173.14 1nkq n PRO 358 N -3.66 0.00 0.23 4.77 -0.02 -1.26 -4.90 135.00 130.15 1nkq n PRO 358 Ca -0.05 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.55 1nkq n PRO 358 Cb 0.17 0.00 0.74 0.00 -0.02 0.00 0.00 33.50 34.39 1nkq n PRO 358 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nkq h ALA 359 N 0.00 1.91 -0.67 3.55 0.00 -2.07 -1.53 119.26 120.45 1nkq h ALA 359 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nkq h ALA 359 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1nkq h ALA 359 CO 0.00 -0.12 0.00 0.27 0.00 0.00 0.00 179.25 179.40 1nkq n ASN 360 N -4.24 3.62 -4.80 0.00 6.94 -1.26 -4.93 115.26 110.59 1nkq n ASN 360 Ca -0.01 -2.00 -0.38 0.00 -0.02 0.00 0.00 54.58 52.17 1nkq n ASN 360 Cb 0.18 -0.44 -0.06 0.00 -2.36 0.00 0.00 39.78 37.10 1nkq n ASN 360 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1nkq s SER 361 N -1.03 6.84 0.00 0.53 0.15 -0.58 -4.68 113.70 114.93 1nkq s SER 361 Ca 0.45 1.00 0.13 0.00 0.70 0.00 0.00 55.95 58.23 1nkq s SER 361 Cb 0.24 -2.29 0.17 0.00 -1.71 0.00 0.00 66.02 62.43 1nkq s SER 361 CO 0.31 0.22 1.01 0.35 1.20 0.00 0.00 173.24 176.34 1nkq n THR 362 N 2.30 0.25 -3.24 6.45 -2.24 -1.26 -4.92 114.28 111.62 1nkq n THR 362 Ca -0.11 -0.62 0.03 0.00 -2.27 0.00 0.00 64.05 61.08 1nkq n THR 362 Cb 0.52 1.08 -0.04 0.00 -2.10 0.00 0.00 70.33 69.79 1nkq n THR 362 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1nkq s PHE 363 N -1.08 -0.27 -0.14 4.78 5.36 -1.26 -4.57 117.98 120.81 1nkq s PHE 363 Ca 0.18 0.45 0.15 0.00 -0.96 0.00 0.00 56.93 56.75 1nkq s PHE 363 Cb 0.12 0.15 0.33 0.00 -0.34 0.00 0.00 43.02 43.28 1nkq s PHE 363 CO 0.17 -0.13 1.16 -1.71 -1.46 0.00 0.00 175.22 173.25 1nkq n ASN 364 N 4.75 1.74 0.00 6.13 4.05 -1.26 -5.10 115.26 125.57 1nkq n ASN 364 Ca -0.07 -3.20 0.00 0.00 0.45 0.00 0.00 54.58 51.76 1nkq n ASN 364 Cb 0.55 -0.43 0.00 0.00 1.23 0.00 0.00 39.78 41.12 1nkq n ASN 364 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1nkq n GLY 365 N -0.99 0.33 3.86 8.20 0.00 -1.26 -5.00 105.19 110.34 1nkq n GLY 365 Ca 0.15 -1.74 -0.31 0.00 0.00 0.00 0.00 46.02 44.11 1nkq n GLY 365 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nkq s LEU 366 N -1.59 3.71 0.87 0.99 1.43 -1.26 -4.93 118.68 117.89 1nkq s LEU 366 Ca 0.00 1.29 -0.12 0.00 -1.03 0.00 0.00 54.13 54.27 1nkq s LEU 366 Cb 0.00 -4.21 0.11 0.00 0.03 0.00 0.00 46.19 42.13 1nkq s LEU 366 CO 0.00 -0.50 1.17 0.20 0.23 0.00 0.00 176.35 177.45 1nkq s ASN 367 N -3.24 3.95 0.60 2.29 0.01 -0.33 -4.81 114.94 113.41 1nkq s ASN 367 Ca 0.54 0.82 0.29 0.00 -0.71 0.00 0.00 52.86 53.79 1nkq s ASN 367 Cb -0.10 -1.30 1.47 0.00 0.41 0.00 0.00 41.25 41.73 1nkq s ASN 367 CO 0.33 -2.26 1.88 -0.33 -1.51 0.00 0.00 177.10 175.22 1nkq h GLU 368 N -1.30 0.00 0.00 -0.60 3.07 -1.98 0.64 114.58 114.42 1nkq h GLU 368 Ca -0.48 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.36 1nkq h GLU 368 Cb 1.32 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.23 1nkq h GLU 368 CO 0.62 0.00 -0.13 -0.44 -1.40 0.00 0.00 179.01 177.66 1nkq h ASP 369 N 0.00 0.00 0.00 1.42 3.45 -1.97 -3.46 116.42 115.86 1nkq h ASP 369 Ca 0.19 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.65 1nkq h ASP 369 Cb 1.15 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.92 1nkq h ASP 369 CO -0.00 0.13 0.00 0.61 -1.57 0.00 0.00 179.24 178.41 1nkq n GLY 370 N -0.10 0.86 3.92 2.75 0.00 0.22 -2.69 105.19 110.15 1nkq n GLY 370 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 1nkq n GLY 370 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1nkq s THR 371 N -3.39 5.00 -0.46 2.61 -1.32 -1.26 -4.69 115.64 112.13 1nkq s THR 371 Ca 0.00 -0.07 0.07 0.00 -1.21 0.00 0.00 61.69 60.48 1nkq s THR 371 Cb 0.00 -3.84 0.24 0.00 -1.51 0.00 0.00 72.50 67.40 1nkq s THR 371 CO 0.00 -0.64 0.80 -3.20 -2.21 0.00 0.00 174.62 169.37 1nkq n ASN 372 N -1.84 -2.14 -4.73 8.08 5.15 -1.26 -1.19 115.26 117.34 1nkq n ASN 372 Ca -0.02 -3.17 -0.42 0.00 -0.60 0.00 0.00 54.58 50.37 1nkq n ASN 372 Cb 0.55 1.23 -0.01 0.00 -0.53 0.00 0.00 39.78 41.03 1nkq n ASN 372 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1nkq n PRO 373 N 1.56 2.46 0.00 1.20 -0.02 -1.24 -0.31 135.00 138.66 1nkq n PRO 373 Ca 0.12 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 1nkq n PRO 373 Cb 0.61 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 1nkq n PRO 373 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nkq n GLY 374 N 1.33 -0.32 3.98 -1.23 0.00 -0.66 -4.84 105.19 103.45 1nkq n GLY 374 Ca 0.06 -1.21 -0.24 0.00 0.00 0.00 0.00 46.02 44.63 1nkq n GLY 374 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nkq s PRO 375 N -2.00 1.66 -0.17 1.61 0.04 -1.26 -4.37 135.00 130.51 1nkq s PRO 375 Ca 0.00 -1.02 -0.18 0.00 0.04 0.00 0.00 61.00 59.84 1nkq s PRO 375 Cb 0.00 -2.30 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 1nkq s PRO 375 CO 0.00 -1.47 0.48 0.42 0.04 0.00 0.00 177.00 176.46 1nkq s ILE 376 N -3.18 5.16 -0.51 0.56 1.01 0.12 -4.92 121.20 119.44 1nkq s ILE 376 Ca 0.66 0.90 -0.19 0.00 0.00 0.00 0.00 60.65 62.03 1nkq s ILE 376 Cb -0.06 -3.81 0.06 0.00 0.01 0.00 0.00 42.46 38.67 1nkq s ILE 376 CO 0.45 0.25 0.60 -0.36 0.00 0.00 0.00 174.94 175.88 1nkq s PHE 377 N 1.18 3.07 -0.28 3.97 2.99 -1.26 -0.32 117.98 127.34 1nkq s PHE 377 Ca 0.24 -0.61 -0.29 0.00 0.00 0.00 0.00 56.93 56.27 1nkq s PHE 377 Cb -0.15 -3.52 -0.00 0.00 0.00 0.00 0.00 43.02 39.35 1nkq s PHE 377 CO 0.09 -1.02 1.28 0.42 -0.00 0.00 0.00 175.22 176.00 1nkq s ILE 378 N 2.51 4.19 0.61 0.64 -1.09 0.58 -4.60 121.20 124.04 1nkq s ILE 378 Ca 0.14 1.37 -0.18 0.00 -2.23 0.00 0.00 60.65 59.74 1nkq s ILE 378 Cb -0.20 -4.14 -0.03 0.00 -1.58 0.00 0.00 42.46 36.51 1nkq s ILE 378 CO 0.11 -0.41 1.20 -2.84 -1.23 0.00 0.00 174.94 171.78 1nkq s PRO 379 N 4.01 2.89 0.19 2.79 0.02 -1.26 -1.08 135.00 142.56 1nkq s PRO 379 Ca 0.55 1.80 -0.32 0.00 0.02 0.00 0.00 61.00 63.06 1nkq s PRO 379 Cb -0.17 -1.92 -0.11 0.00 0.02 0.00 0.00 34.50 32.32 1nkq s PRO 379 CO 0.21 -1.26 1.62 1.03 -0.33 0.00 0.00 177.00 178.27 1nkq s ARG 380 N -3.41 4.18 0.00 5.54 0.52 -1.26 -2.44 118.95 122.07 1nkq s ARG 380 Ca 0.77 2.46 0.00 0.00 -0.52 0.00 0.00 55.73 58.43 1nkq s ARG 380 Cb -0.30 -3.12 0.00 0.00 0.52 0.00 0.00 34.95 32.05 1nkq s ARG 380 CO 0.34 -0.66 0.00 0.41 0.02 0.00 0.00 175.30 175.42 1nkq n GLY 381 N 3.78 0.31 3.76 -3.53 0.00 -1.26 0.16 105.19 108.41 1nkq n GLY 381 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 1nkq n GLY 381 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nkq s VAL 382 N -1.66 5.28 -0.53 1.61 1.01 -1.02 -4.62 120.40 120.47 1nkq s VAL 382 Ca 0.00 0.14 -0.21 0.00 0.00 0.00 0.00 61.98 61.91 1nkq s VAL 382 Cb 0.00 -3.36 0.05 0.00 0.00 0.00 0.00 36.38 33.07 1nkq s VAL 382 CO 0.00 0.52 0.75 -0.54 0.00 0.00 0.00 175.10 175.83 1nkq s LYS 383 N -0.20 3.20 -0.16 2.72 -0.14 -1.26 -4.77 119.74 119.13 1nkq s LYS 383 Ca 0.10 -0.67 -0.20 0.00 -1.36 0.00 0.00 55.97 53.85 1nkq s LYS 383 Cb -0.12 -4.09 -0.03 0.00 -1.68 0.00 0.00 37.83 31.91 1nkq s LYS 383 CO 0.01 -1.34 0.56 0.08 -0.76 0.00 0.00 175.35 173.89 1nkq s VAL 384 N 3.16 5.10 0.04 3.17 1.01 -1.26 -1.07 120.40 130.54 1nkq s VAL 384 Ca 0.21 1.07 0.02 0.00 0.00 0.00 0.00 61.98 63.28 1nkq s VAL 384 Cb -0.17 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 1nkq s VAL 384 CO 0.14 0.21 0.03 -1.00 0.00 0.00 0.00 175.10 174.49 1nkq s HIS 385 N 1.29 3.12 -0.08 5.22 3.76 0.05 -0.07 115.29 128.58 1nkq s HIS 385 Ca 0.27 0.08 -0.02 0.00 -0.15 0.00 0.00 55.06 55.24 1nkq s HIS 385 Cb -0.16 -1.64 -0.03 0.00 1.11 0.00 0.00 32.58 31.86 1nkq s HIS 385 CO 0.11 0.50 0.03 -3.38 -0.85 0.00 0.00 174.74 171.15 1nkq s HIS 386 N -1.22 3.25 -0.30 1.40 -3.43 -0.88 -2.18 115.29 111.92 1nkq s HIS 386 Ca 0.24 0.25 -0.03 0.00 -0.80 0.00 0.00 55.06 54.72 1nkq s HIS 386 Cb -0.12 -1.80 0.11 0.00 -1.43 0.00 0.00 32.58 29.34 1nkq s HIS 386 CO 0.15 0.52 0.17 -1.21 -2.00 0.00 0.00 174.74 172.38 1nkq s GLU 387 N -1.04 0.27 0.36 -0.38 2.02 -1.26 -4.01 118.70 114.66 1nkq s GLU 387 Ca 0.15 -0.57 -0.27 0.00 0.02 0.00 0.00 54.97 54.31 1nkq s GLU 387 Cb -0.12 -1.08 -0.09 0.00 0.10 0.00 0.00 34.13 32.95 1nkq s GLU 387 CO 0.04 -1.05 1.15 -1.50 0.02 0.00 0.00 175.26 173.92 1nkq s ILE 388 N 2.01 3.27 0.07 -1.63 1.10 -1.26 -0.37 121.20 124.39 1nkq s ILE 388 Ca 0.10 1.14 -0.18 0.00 -0.51 0.00 0.00 60.65 61.20 1nkq s ILE 388 Cb -0.16 -3.67 0.04 0.00 0.15 0.00 0.00 42.46 38.82 1nkq s ILE 388 CO -0.31 0.17 0.43 -1.61 -2.11 0.00 0.00 174.94 171.51 1nkq s GLU 389 N -2.02 0.99 0.06 3.50 2.02 0.19 -4.26 118.70 119.17 1nkq s GLU 389 Ca 0.53 -0.43 -0.22 0.00 0.02 0.00 0.00 54.97 54.86 1nkq s GLU 389 Cb -0.31 0.44 -0.06 0.00 0.10 0.00 0.00 34.13 34.30 1nkq s GLU 389 CO 0.39 -0.36 0.65 -1.17 0.02 0.00 0.00 175.26 174.80 1nkq s LEU 390 N -2.23 4.49 -0.11 1.80 2.96 -1.26 -1.43 118.68 122.90 1nkq s LEU 390 Ca -0.03 1.34 0.03 0.00 -0.22 0.00 0.00 54.13 55.25 1nkq s LEU 390 Cb -0.00 -3.04 0.00 0.00 0.50 0.00 0.00 46.19 43.65 1nkq s LEU 390 CO -0.05 0.16 -0.23 0.00 -1.32 0.00 0.00 176.35 174.92 1nkq s ALA 391 N -0.65 2.23 -0.02 5.97 0.00 0.89 -1.90 121.76 128.28 1nkq s ALA 391 Ca 0.33 -0.99 -0.06 0.00 0.00 0.00 0.00 51.96 51.23 1nkq s ALA 391 Cb -0.20 -0.89 -0.04 0.00 0.00 0.00 0.00 23.12 21.98 1nkq s ALA 391 CO 0.20 0.21 0.22 -0.51 0.00 0.00 0.00 175.76 175.88 1nkq s LEU 392 N 0.46 4.38 -0.34 0.00 1.43 -0.16 -0.54 118.68 123.90 1nkq s LEU 392 Ca -0.15 0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 53.42 1nkq s LEU 392 Cb -0.17 -2.52 0.08 0.00 0.03 0.00 0.00 46.19 43.60 1nkq s LEU 392 CO 0.06 0.29 0.08 -0.63 0.23 0.00 0.00 176.35 176.38 1nkq s ILE 393 N -1.24 2.93 0.47 -0.59 1.01 -0.94 -0.23 121.20 122.60 1nkq s ILE 393 Ca 0.25 -1.81 -0.24 0.00 0.00 0.00 0.00 60.65 58.85 1nkq s ILE 393 Cb -0.13 -2.88 -0.08 0.00 0.01 0.00 0.00 42.46 39.38 1nkq s ILE 393 CO 0.14 -0.40 1.32 0.52 0.00 0.00 0.00 174.94 176.53 1nkq n VAL 394 N 4.54 2.96 -0.12 2.92 0.31 -0.05 -0.58 118.33 128.32 1nkq n VAL 394 Ca -0.06 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.77 1nkq n VAL 394 Cb 0.42 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 31.70 1nkq n VAL 394 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1nkq n SER 395 N -0.22 0.78 -3.53 4.52 3.41 0.08 -0.76 113.62 117.90 1nkq n SER 395 Ca 0.07 -0.94 -0.17 0.00 -0.26 0.00 0.00 58.87 57.57 1nkq n SER 395 Cb 0.42 0.09 -0.08 0.00 -0.26 0.00 0.00 64.21 64.38 1nkq n SER 395 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1nkq s LYS 396 N -0.09 1.66 -0.09 4.33 -2.85 -1.25 -4.69 119.74 116.75 1nkq s LYS 396 Ca 0.00 -1.88 -0.22 0.00 -1.00 0.00 0.00 55.97 52.87 1nkq s LYS 396 Cb 0.00 0.34 -0.04 0.00 -2.06 0.00 0.00 37.83 36.07 1nkq s LYS 396 CO 0.00 -0.62 0.66 -1.01 0.10 0.00 0.00 175.35 174.48 1nkq s HIS 397 N -3.55 3.54 -0.25 1.78 3.76 -1.26 -3.30 115.29 116.01 1nkq s HIS 397 Ca 0.38 1.15 0.02 0.00 -0.15 0.00 0.00 55.06 56.46 1nkq s HIS 397 Cb 0.03 -2.77 0.06 0.00 1.11 0.00 0.00 32.58 31.01 1nkq s HIS 397 CO 0.23 0.06 -0.07 -0.51 -0.85 0.00 0.00 174.74 173.60 1nkq s LEU 398 N 0.95 2.98 -0.07 0.89 1.02 0.39 -4.99 118.68 119.85 1nkq s LEU 398 Ca 0.35 -1.30 -0.03 0.00 0.02 0.00 0.00 54.13 53.17 1nkq s LEU 398 Cb -0.17 -1.33 0.04 0.00 0.02 0.00 0.00 46.19 44.74 1nkq s LEU 398 CO 0.16 -0.23 0.06 -0.55 0.02 0.00 0.00 176.35 175.81 1nkq s SER 399 N 1.27 1.39 -1.30 2.29 0.15 -1.26 -0.79 113.70 115.45 1nkq s SER 399 Ca -0.06 -0.06 -0.00 0.00 0.70 0.00 0.00 55.95 56.52 1nkq s SER 399 Cb -0.19 -0.17 -0.00 0.00 -1.71 0.00 0.00 66.02 63.94 1nkq s SER 399 CO -0.06 -0.27 0.70 0.59 1.20 0.00 0.00 173.24 175.40 1nkq n ASN 400 N 5.29 -1.21 -4.69 5.45 3.02 0.17 -4.94 115.26 118.35 1nkq n ASN 400 Ca -0.04 -0.82 -0.42 0.00 -0.03 0.00 0.00 54.58 53.26 1nkq n ASN 400 Cb 0.50 -4.04 -0.03 0.00 -0.61 0.00 0.00 39.78 35.60 1nkq n ASN 400 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1nkq s VAL 401 N -3.67 4.71 0.19 2.41 1.01 -1.26 -4.94 120.40 118.85 1nkq s VAL 401 Ca 0.01 1.97 0.01 0.00 0.00 0.00 0.00 61.98 63.97 1nkq s VAL 401 Cb -0.00 -4.26 -0.09 0.00 0.00 0.00 0.00 36.38 32.02 1nkq s VAL 401 CO 0.81 0.04 1.46 0.71 0.00 0.00 0.00 175.10 178.12 1nkq h THR 402 N 5.01 1.40 -1.91 3.92 1.35 -1.92 -3.44 112.91 117.32 1nkq h THR 402 Ca -0.34 -2.17 0.02 0.00 -0.55 0.00 0.00 66.41 63.37 1nkq h THR 402 Cb 1.16 2.13 -0.00 0.00 -1.73 0.00 0.00 68.15 69.72 1nkq h THR 402 CO 0.84 0.65 0.08 2.29 -0.25 0.00 0.00 175.52 179.13 1nkq n LYS 403 N -3.82 0.15 -4.05 4.72 0.00 -1.26 -5.03 118.16 108.87 1nkq n LYS 403 Ca -0.04 -0.31 -0.08 0.00 -0.00 0.00 0.00 58.31 57.89 1nkq n LYS 403 Cb 0.70 0.40 -0.10 0.00 -0.00 0.00 0.00 35.03 36.03 1nkq n LYS 403 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1nkq s LYS 405 N -2.01 0.55 0.66 -1.58 1.02 -1.26 -5.06 119.74 112.06 1nkq s LYS 405 Ca 0.04 -1.06 0.39 0.00 0.02 0.00 0.00 55.97 55.36 1nkq s LYS 405 Cb -0.01 0.19 2.14 0.00 -0.52 0.00 0.00 37.83 39.64 1nkq s LYS 405 CO 0.01 -0.10 2.21 -1.00 -0.92 0.00 0.00 175.35 175.55 1nkq h PRO 406 N 3.50 0.00 0.00 -1.68 0.13 -1.96 -0.47 132.00 131.51 1nkq h PRO 406 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1nkq h PRO 406 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1nkq h PRO 406 CO 0.60 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.42 1nkq h GLU 407 N 0.00 0.00 0.00 0.86 4.11 -1.80 -3.25 114.58 114.50 1nkq h GLU 407 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1nkq h GLU 407 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1nkq h GLU 407 CO 0.00 0.00 -0.35 0.39 0.07 0.00 0.00 179.01 179.12 1nkq n GLU 408 N -2.67 0.16 -0.03 1.06 1.02 -0.19 -4.04 120.64 115.95 1nkq n GLU 408 Ca 0.05 0.08 -0.10 0.00 -0.02 0.00 0.00 57.16 57.16 1nkq n GLU 408 Cb 0.48 -1.63 -0.04 0.00 -0.02 0.00 0.00 31.44 30.23 1nkq n GLU 408 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1nkq h VAL 409 N 0.00 1.07 -0.58 2.62 2.07 -1.64 -2.34 116.25 117.45 1nkq h VAL 409 Ca 0.00 -0.15 0.10 0.00 0.82 0.00 0.00 66.70 67.46 1nkq h VAL 409 Cb 0.64 0.86 -0.07 0.00 -1.52 0.00 0.00 31.29 31.19 1nkq h VAL 409 CO 0.00 0.06 0.17 0.22 0.02 0.00 0.00 177.57 178.04 1nkq h TYR 410 N 0.21 0.29 0.00 1.57 3.20 -1.80 0.42 116.97 120.87 1nkq h TYR 410 Ca 0.06 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1nkq h TYR 410 Cb 0.01 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.24 1nkq h TYR 410 CO -0.06 0.04 0.00 -0.25 -1.64 0.00 0.00 178.16 176.26 1nkq n ASP 411 N -5.06 0.00 -0.44 -2.11 8.00 -1.11 -2.96 116.55 112.89 1nkq n ASP 411 Ca 0.08 0.23 0.11 0.00 0.71 0.00 0.00 54.79 55.91 1nkq n ASP 411 Cb 0.28 -0.39 -0.00 0.00 -0.02 0.00 0.00 41.12 40.99 1nkq n ASP 411 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1nkq n SER 412 N -1.39 1.89 -4.35 -2.24 7.64 0.11 -4.85 113.62 110.43 1nkq n SER 412 Ca 0.08 -1.44 -0.21 0.00 1.01 0.00 0.00 58.87 58.31 1nkq n SER 412 Cb 0.20 0.52 -0.11 0.00 -1.01 0.00 0.00 64.21 63.82 1nkq n SER 412 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1nkq s ILE 413 N -2.54 1.88 -0.10 0.44 -4.36 -1.04 -0.74 121.20 114.75 1nkq s ILE 413 Ca 0.17 -2.05 0.22 0.00 -0.26 0.00 0.00 60.65 58.74 1nkq s ILE 413 Cb 0.18 -1.95 -0.27 0.00 1.25 0.00 0.00 42.46 41.67 1nkq s ILE 413 CO 0.60 -0.39 0.61 -1.54 0.24 0.00 0.00 174.94 174.46 1nkq n SER 414 N 0.02 0.19 0.00 4.36 3.41 0.25 -4.69 113.62 117.17 1nkq n SER 414 Ca -0.11 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 1nkq n SER 414 Cb 0.58 1.66 0.00 0.00 -0.26 0.00 0.00 64.21 66.19 1nkq n SER 414 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nkq n GLY 415 N 1.25 -1.52 3.24 5.00 0.00 -1.25 -3.79 105.19 108.12 1nkq n GLY 415 Ca -0.03 -1.04 -0.19 0.00 0.00 0.00 0.00 46.02 44.76 1nkq n GLY 415 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nkq s VAL 416 N -2.38 1.37 0.11 1.61 1.01 -0.60 -2.22 120.40 119.30 1nkq s VAL 416 Ca 0.00 -1.66 -0.05 0.00 0.00 0.00 0.00 61.98 60.27 1nkq s VAL 416 Cb 0.00 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.87 1nkq s VAL 416 CO 0.00 -0.35 0.14 0.00 0.00 0.00 0.00 175.10 174.89 1nkq s ALA 417 N -1.93 0.24 -0.23 5.51 0.00 0.29 0.17 121.76 125.81 1nkq s ALA 417 Ca 0.08 -1.01 -0.09 0.00 0.00 0.00 0.00 51.96 50.94 1nkq s ALA 417 Cb -0.06 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 1nkq s ALA 417 CO 0.03 -0.51 0.12 -1.17 0.00 0.00 0.00 175.76 174.22 1nkq s LEU 418 N -2.95 3.88 0.06 0.00 2.96 -1.26 -0.07 118.68 121.30 1nkq s LEU 418 Ca 0.13 0.03 0.02 0.00 -0.22 0.00 0.00 54.13 54.09 1nkq s LEU 418 Cb 0.06 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 1nkq s LEU 418 CO -0.05 0.07 -0.07 0.00 -1.32 0.00 0.00 176.35 174.98 1nkq s ALA 419 N 1.01 0.68 -0.21 5.97 0.00 -0.51 -1.04 121.76 127.66 1nkq s ALA 419 Ca 0.06 -0.98 -0.04 0.00 0.00 0.00 0.00 51.96 51.01 1nkq s ALA 419 Cb -0.14 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 1nkq s ALA 419 CO 0.04 -0.12 -0.05 -0.51 0.00 0.00 0.00 175.76 175.12 1nkq s LEU 420 N -2.14 2.90 -1.18 0.00 1.43 -0.51 0.52 118.68 119.71 1nkq s LEU 420 Ca -0.02 -0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 52.59 1nkq s LEU 420 Cb -0.04 -1.73 0.21 0.00 0.03 0.00 0.00 46.19 44.66 1nkq s LEU 420 CO -0.02 0.01 1.33 -0.67 0.23 0.00 0.00 176.35 177.23 1nkq n ASP 421 N 4.60 5.35 -4.76 2.29 2.03 0.51 -3.41 116.55 123.15 1nkq n ASP 421 Ca -0.18 -3.01 -0.41 0.00 0.52 0.00 0.00 54.79 51.71 1nkq n ASP 421 Cb 0.51 -1.49 -0.02 0.00 -0.72 0.00 0.00 41.12 39.40 1nkq n ASP 421 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1nkq s LEU 422 N 0.39 4.38 0.03 -2.67 1.43 -0.16 -4.02 118.68 118.06 1nkq s LEU 422 Ca 0.38 2.80 0.03 0.00 -1.03 0.00 0.00 54.13 56.31 1nkq s LEU 422 Cb -0.05 -3.64 -0.02 0.00 0.03 0.00 0.00 46.19 42.51 1nkq s LEU 422 CO -0.03 -0.72 -0.10 -0.89 0.23 0.00 0.00 176.35 174.84 1nkq s THR 423 N -0.61 0.79 -1.04 5.49 2.01 -0.93 -4.71 115.64 116.65 1nkq s THR 423 Ca 0.55 -0.84 -0.14 0.00 0.31 0.00 0.00 61.69 61.57 1nkq s THR 423 Cb -0.43 -0.75 0.19 0.00 0.01 0.00 0.00 72.50 71.53 1nkq s THR 423 CO 0.51 -0.07 1.15 0.00 -0.69 0.00 0.00 174.62 175.52 1nkq s ALA 424 N -0.82 4.02 0.28 7.40 0.00 0.22 -0.77 121.76 132.09 1nkq s ALA 424 Ca -0.01 -3.31 0.02 0.00 0.00 0.00 0.00 51.96 48.65 1nkq s ALA 424 Cb -0.07 -3.86 0.69 0.00 0.00 0.00 0.00 23.12 19.88 1nkq s ALA 424 CO 0.01 -2.60 1.66 0.00 0.00 0.00 0.00 175.76 174.83 1nkq h ARG 425 N 7.61 0.25 -0.09 0.00 -0.00 -1.41 0.26 114.38 121.00 1nkq h ARG 425 Ca 0.20 -0.02 -0.22 0.00 -0.50 0.00 0.00 59.98 59.44 1nkq h ARG 425 Cb 0.95 -0.06 0.01 0.00 0.00 0.00 0.00 29.97 30.87 1nkq h ARG 425 CO 1.06 0.17 -0.84 -2.95 0.00 0.00 0.00 179.97 177.41 1nkq h ASN 426 N 0.26 0.78 -0.36 7.04 -1.07 -1.91 0.15 115.58 120.46 1nkq h ASN 426 Ca 0.54 -0.54 -0.04 0.00 0.07 0.00 0.00 56.30 56.33 1nkq h ASN 426 Cb 1.06 -0.23 -0.01 0.00 -2.07 0.00 0.00 38.32 37.06 1nkq h ASN 426 CO -0.61 1.33 0.09 0.58 0.07 0.00 0.00 177.43 178.89 1nkq h VAL 427 N 0.41 1.22 -0.71 6.14 2.07 -1.66 -2.69 116.25 121.04 1nkq h VAL 427 Ca -0.06 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 66.67 1nkq h VAL 427 Cb 1.46 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 32.23 1nkq h VAL 427 CO 0.16 0.26 0.33 -0.61 0.02 0.00 0.00 177.57 177.73 1nkq h GLN 428 N 0.43 1.02 -0.52 1.57 4.15 -0.45 -2.35 115.11 118.95 1nkq h GLN 428 Ca 0.11 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1nkq h GLN 428 Cb 0.30 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.78 1nkq h GLN 428 CO 0.00 0.79 0.32 -0.44 -1.93 0.00 0.00 178.83 177.58 1nkq h ASP 429 N 1.01 0.61 -0.80 -0.69 3.32 -0.70 -0.31 116.42 118.85 1nkq h ASP 429 Ca 0.24 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 1nkq h ASP 429 Cb 0.12 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 1nkq h ASP 429 CO -0.03 0.47 0.41 -0.33 -1.72 0.00 0.00 179.24 178.04 1nkq h GLU 430 N 0.70 1.15 -0.33 3.56 4.39 -1.23 -2.31 114.58 120.51 1nkq h GLU 430 Ca 0.19 -0.15 -0.08 0.00 0.34 0.00 0.00 59.36 59.66 1nkq h GLU 430 Cb -0.04 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.39 1nkq h GLU 430 CO -0.04 0.87 -0.10 0.00 -1.16 0.00 0.00 179.01 178.58 1nkq h ALA 431 N 1.30 0.46 -0.06 3.43 0.00 -0.92 -2.98 119.26 120.50 1nkq h ALA 431 Ca 0.28 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1nkq h ALA 431 Cb 0.08 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1nkq h ALA 431 CO -0.04 0.31 -0.11 0.87 0.00 0.00 0.00 179.25 180.29 1nkq h LYS 432 N 0.43 -0.15 -0.77 0.00 1.57 -0.89 0.20 116.57 116.95 1nkq h LYS 432 Ca 0.08 0.01 0.17 0.00 -1.87 0.00 0.00 60.65 59.04 1nkq h LYS 432 Cb 0.61 0.03 -0.11 0.00 0.08 0.00 0.00 32.23 32.84 1nkq h LYS 432 CO 0.04 -0.10 0.24 0.87 -0.57 0.00 0.00 179.45 179.92 1nkq h LYS 433 N -0.16 0.32 -0.01 3.15 1.57 -1.39 0.01 116.57 120.05 1nkq h LYS 433 Ca 0.06 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1nkq h LYS 433 Cb 0.24 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1nkq h LYS 433 CO -0.15 0.21 -0.16 1.63 -0.57 0.00 0.00 179.45 180.40 1nkq n LYS 434 N -5.11 1.05 -2.61 3.15 4.76 -0.97 -4.94 118.16 113.49 1nkq n LYS 434 Ca 0.16 -0.58 -0.14 0.00 -2.87 0.00 0.00 58.31 54.88 1nkq n LYS 434 Cb 0.49 -1.49 0.02 0.00 -1.84 0.00 0.00 35.03 32.21 1nkq n LYS 434 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nkq n GLY 435 N 1.28 -0.09 3.97 0.72 0.00 0.43 -5.02 105.19 106.48 1nkq n GLY 435 Ca 0.15 -0.25 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 1nkq n GLY 435 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nkq s LEU 436 N -4.19 3.66 0.55 0.99 1.43 0.41 -5.01 118.68 116.52 1nkq s LEU 436 Ca 0.14 0.03 -0.21 0.00 -1.03 0.00 0.00 54.13 53.06 1nkq s LEU 436 Cb -0.06 -2.94 -0.06 0.00 0.03 0.00 0.00 46.19 43.16 1nkq s LEU 436 CO 0.18 -0.72 1.13 -2.65 0.23 0.00 0.00 176.35 174.51 1nkq n PRO 437 N -1.99 1.30 0.04 1.29 -0.02 -1.26 -4.59 135.00 129.77 1nkq n PRO 437 Ca 0.03 0.48 0.12 0.00 -2.02 0.00 0.00 63.50 62.11 1nkq n PRO 437 Cb 0.58 -2.31 0.08 0.00 -0.02 0.00 0.00 33.50 31.83 1nkq n PRO 437 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1nkq n TRP 438 N -1.22 0.42 -0.21 6.00 7.02 -1.26 -4.62 117.44 123.57 1nkq n TRP 438 Ca 0.12 0.12 -0.03 0.00 -1.02 0.00 0.00 57.50 56.68 1nkq n TRP 438 Cb 0.45 -0.56 -0.02 0.00 -2.42 0.00 0.00 31.31 28.76 1nkq n TRP 438 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 1nkq n THR 439 N -2.07 -0.32 -0.09 -0.99 -1.04 -1.26 -0.69 114.28 107.82 1nkq n THR 439 Ca 0.02 1.25 -0.12 0.00 -2.04 0.00 0.00 64.05 63.15 1nkq n THR 439 Cb 0.45 -1.59 -0.04 0.00 -1.82 0.00 0.00 70.33 67.33 1nkq n THR 439 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1nkq h ILE 440 N 0.00 1.30 0.00 12.58 2.04 -1.94 0.93 117.51 132.42 1nkq h ILE 440 Ca 0.13 -1.29 -0.00 0.00 1.00 0.00 0.00 64.86 64.70 1nkq h ILE 440 Cb 0.26 1.53 -0.00 0.00 -0.74 0.00 0.00 36.82 37.87 1nkq h ILE 440 CO -0.50 0.41 -0.00 0.77 0.00 0.00 0.00 178.15 178.82 1nkq h SER 441 N 0.35 0.00 0.00 1.72 4.64 -1.22 -2.35 113.55 116.69 1nkq h SER 441 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1nkq h SER 441 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1nkq h SER 441 CO 0.05 0.00 -1.09 1.17 -0.87 0.00 0.00 176.83 176.09 1nkq n LYS 442 N -4.34 0.55 -0.09 4.77 3.00 -0.18 -0.61 118.16 121.27 1nkq n LYS 442 Ca -0.03 -0.03 0.03 0.00 -0.00 0.00 0.00 58.31 58.28 1nkq n LYS 442 Cb 0.09 -1.43 0.07 0.00 0.00 0.00 0.00 35.03 33.76 1nkq n LYS 442 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1nkq n GLY 443 N 1.44 2.87 3.45 3.14 0.00 0.32 -4.78 105.19 111.64 1nkq n GLY 443 Ca 0.02 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 1nkq n GLY 443 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1nkq n PHE 444 N -0.00 -1.04 -1.73 1.61 3.01 -1.18 -4.63 117.46 113.50 1nkq n PHE 444 Ca 0.06 0.30 -0.39 0.00 1.01 0.00 0.00 57.45 58.42 1nkq n PHE 444 Cb 0.34 -1.86 0.03 0.00 -0.01 0.00 0.00 39.48 37.98 1nkq n PHE 444 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1nkq n ASP 445 N -0.81 2.70 0.00 4.37 8.00 -1.26 -1.93 116.55 127.62 1nkq n ASP 445 Ca 0.09 1.02 0.00 0.00 0.71 0.00 0.00 54.79 56.60 1nkq n ASP 445 Cb 0.52 -1.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.05 1nkq n ASP 445 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1nkq n THR 446 N -0.78 0.00 -1.05 -3.53 -2.24 -0.94 -4.57 114.28 101.16 1nkq n THR 446 Ca 0.09 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.57 1nkq n THR 446 Cb 0.43 -0.46 -0.04 0.00 -2.10 0.00 0.00 70.33 68.16 1nkq n THR 446 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1nkq n PHE 447 N -2.22 1.77 -3.64 4.78 3.01 -0.81 -4.71 117.46 115.64 1nkq n PHE 447 Ca 0.00 -2.49 -0.08 0.00 1.01 0.00 0.00 57.45 55.89 1nkq n PHE 447 Cb 0.16 -2.08 -0.07 0.00 -0.01 0.00 0.00 39.48 37.48 1nkq n PHE 447 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 1nkq s PRO 449 N 2.52 0.49 -0.04 -1.08 0.02 -1.22 -0.98 135.00 134.70 1nkq s PRO 449 Ca 0.58 0.64 -0.10 0.00 0.02 0.00 0.00 61.00 62.13 1nkq s PRO 449 Cb 0.16 0.21 0.02 0.00 0.02 0.00 0.00 34.50 34.91 1nkq s PRO 449 CO -0.04 -0.07 0.24 -1.50 -0.33 0.00 0.00 177.00 175.30 1nkq s ILE 450 N 0.52 0.04 0.87 2.83 2.07 -0.34 -1.42 121.20 125.77 1nkq s ILE 450 Ca 0.00 -0.35 -0.12 0.00 -1.41 0.00 0.00 60.65 58.78 1nkq s ILE 450 Cb -0.05 -0.46 0.15 0.00 0.13 0.00 0.00 42.46 42.23 1nkq s ILE 450 CO -0.09 -0.19 1.21 -0.94 -1.91 0.00 0.00 174.94 173.02 1nkq s SER 451 N -0.76 3.74 0.86 4.50 1.04 -0.20 -4.55 113.70 118.32 1nkq s SER 451 Ca -0.08 0.26 -0.12 0.00 0.48 0.00 0.00 55.95 56.49 1nkq s SER 451 Cb -0.05 -0.50 0.11 0.00 0.10 0.00 0.00 66.02 65.68 1nkq s SER 451 CO 0.02 -2.33 1.11 0.00 0.98 0.00 0.00 173.24 173.02 1nkq s ALA 452 N -3.64 1.91 0.45 5.32 0.00 -1.26 -4.75 121.76 119.79 1nkq s ALA 452 Ca 0.69 -0.27 -0.21 0.00 0.00 0.00 0.00 51.96 52.17 1nkq s ALA 452 Cb -0.06 -3.11 -0.09 0.00 0.00 0.00 0.00 23.12 19.86 1nkq s ALA 452 CO 0.50 -2.05 1.02 -1.50 0.00 0.00 0.00 175.76 173.72 1nkq s ILE 453 N -3.13 3.92 -0.33 0.00 2.07 -0.85 -4.63 121.20 118.26 1nkq s ILE 453 Ca 0.62 1.25 -0.06 0.00 -1.41 0.00 0.00 60.65 61.06 1nkq s ILE 453 Cb -0.15 -3.54 0.04 0.00 0.13 0.00 0.00 42.46 38.93 1nkq s ILE 453 CO 0.55 -0.20 0.09 -0.69 -1.91 0.00 0.00 174.94 172.77 1nkq s VAL 454 N -1.95 3.67 0.77 4.00 1.01 0.13 -4.77 120.40 123.25 1nkq s VAL 454 Ca 0.64 -1.13 -0.15 0.00 0.00 0.00 0.00 61.98 61.34 1nkq s VAL 454 Cb -0.16 -3.07 0.05 0.00 0.00 0.00 0.00 36.38 33.20 1nkq s VAL 454 CO 0.20 -0.14 1.09 -0.24 0.00 0.00 0.00 175.10 176.01 1nkq n SER 455 N 4.79 0.78 0.30 3.32 2.88 -1.26 -1.55 113.62 122.88 1nkq n SER 455 Ca -0.13 0.63 0.20 0.00 -1.33 0.00 0.00 58.87 58.23 1nkq n SER 455 Cb 0.45 -1.46 0.93 0.00 -0.75 0.00 0.00 64.21 63.37 1nkq n SER 455 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1nkq h ARG 456 N -0.58 0.00 -0.11 -1.46 3.08 -1.95 -2.26 114.38 111.11 1nkq h ARG 456 Ca -0.47 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.61 1nkq h ARG 456 Cb 1.31 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.36 1nkq h ARG 456 CO 0.46 0.00 0.09 1.05 -1.07 0.00 0.00 179.97 180.50 1nkq h GLU 457 N 0.00 0.00 0.00 0.04 4.11 -1.92 -0.03 114.58 116.77 1nkq h GLU 457 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1nkq h GLU 457 Cb 0.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1nkq h GLU 457 CO 0.00 0.00 -0.03 0.87 0.07 0.00 0.00 179.01 179.92 1nkq h LYS 458 N 0.00 0.00 0.00 1.06 1.79 -1.76 -3.30 116.57 114.36 1nkq h LYS 458 Ca 0.05 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.38 1nkq h LYS 458 Cb 0.23 0.00 -0.31 0.00 -1.58 0.00 0.00 32.23 30.57 1nkq h LYS 458 CO -0.00 0.03 -0.91 1.97 -1.08 0.00 0.00 179.45 179.46 1nkq n PHE 459 N -3.17 0.00 0.32 -1.35 1.16 -0.29 -4.87 117.46 109.26 1nkq n PHE 459 Ca -0.00 -0.40 0.19 0.00 -1.87 0.00 0.00 57.45 55.37 1nkq n PHE 459 Cb 0.27 -0.11 1.07 0.00 -1.61 0.00 0.00 39.48 39.10 1nkq n PHE 459 CO 0.00 0.00 0.00 0.66 -1.87 0.00 0.00 176.76 175.55 1nkq h SER 460 N 0.78 0.00 1.04 5.98 4.64 -1.16 -1.22 113.55 123.61 1nkq h SER 460 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1nkq h SER 460 Cb 1.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.88 1nkq h SER 460 CO 0.07 0.00 0.00 0.28 -0.87 0.00 0.00 176.83 176.31 1nkq h SER 461 N 0.00 0.00 -0.28 4.97 0.02 -1.88 -3.04 113.55 113.34 1nkq h SER 461 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1nkq h SER 461 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1nkq h SER 461 CO 0.00 0.00 0.00 -1.22 -1.14 0.00 0.00 176.83 174.47 1nkq n TYR 462 N -2.77 0.74 -0.09 3.45 4.02 -0.46 -4.73 117.16 117.32 1nkq n TYR 462 Ca 0.02 -0.74 0.26 0.00 -0.01 0.00 0.00 57.90 57.43 1nkq n TYR 462 Cb 0.31 -0.21 0.67 0.00 -0.02 0.00 0.00 39.34 40.10 1nkq n TYR 462 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 1nkq h LYS 463 N 1.81 0.00 0.00 -0.72 2.10 -1.57 0.11 116.57 118.31 1nkq h LYS 463 Ca 0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1nkq h LYS 463 Cb 1.17 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1nkq h LYS 463 CO 0.14 0.00 -0.01 0.66 -2.00 0.00 0.00 179.45 178.23 1nkq h SER 464 N 0.00 0.00 -0.69 7.07 4.64 -1.86 -3.42 113.55 119.29 1nkq h SER 464 Ca 0.36 0.00 0.19 0.00 -0.47 0.00 0.00 61.79 61.87 1nkq h SER 464 Cb 1.83 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.70 1nkq h SER 464 CO -0.00 0.01 0.13 0.21 -0.87 0.00 0.00 176.83 176.31 1nkq s ASN 465 N -5.69 -0.61 0.00 4.97 2.47 0.39 -3.29 114.94 113.18 1nkq s ASN 465 Ca 0.01 0.57 0.20 0.00 0.42 0.00 0.00 52.86 54.06 1nkq s ASN 465 Cb 0.09 1.59 -0.19 0.00 -1.45 0.00 0.00 41.25 41.30 1nkq s ASN 465 CO 0.54 -0.12 0.87 0.18 -3.72 0.00 0.00 177.10 174.86 1nkq n LEU 466 N 5.24 1.09 -0.30 3.21 4.77 -1.24 -4.68 117.00 125.08 1nkq n LEU 466 Ca -0.07 -0.54 0.13 0.00 -0.03 0.00 0.00 56.01 55.50 1nkq n LEU 466 Cb 0.53 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 41.93 1nkq n LEU 466 CO -0.06 0.25 1.04 -0.61 -1.33 0.00 0.00 177.39 176.68 1nkq h GLN 467 N 0.34 0.37 -0.52 3.23 5.75 -1.92 -3.02 115.11 119.33 1nkq h GLN 467 Ca 0.00 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1nkq h GLN 467 Cb 0.51 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.97 1nkq h GLN 467 CO 0.00 0.25 0.00 -0.25 -2.65 0.00 0.00 178.83 176.18 1nkq n ASP 468 N -5.06 3.40 0.04 -0.69 8.00 -1.26 -3.59 116.55 117.39 1nkq n ASP 468 Ca 0.22 -2.00 0.12 0.00 0.71 0.00 0.00 54.79 53.84 1nkq n ASP 468 Cb 0.66 -0.35 0.10 0.00 -0.02 0.00 0.00 41.12 41.51 1nkq n ASP 468 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1nkq n ILE 469 N 1.05 0.26 -4.00 0.53 -5.35 -1.14 -4.71 119.36 106.00 1nkq n ILE 469 Ca 0.18 -0.26 -0.31 0.00 -0.27 0.00 0.00 62.75 62.08 1nkq n ILE 469 Cb 0.52 0.04 -0.06 0.00 -1.74 0.00 0.00 39.64 38.40 1nkq n ILE 469 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1nkq s PHE 470 N -3.18 3.36 -0.02 4.28 0.40 -1.26 -0.23 117.98 121.34 1nkq s PHE 470 Ca 0.05 0.20 0.02 0.00 -0.60 0.00 0.00 56.93 56.59 1nkq s PHE 470 Cb 0.14 -1.72 0.00 0.00 0.51 0.00 0.00 43.02 41.96 1nkq s PHE 470 CO 0.76 0.57 -0.06 0.50 0.70 0.00 0.00 175.22 177.68 1nkq s ARG 471 N -2.25 0.62 -0.05 0.44 3.52 0.46 -0.09 118.95 121.60 1nkq s ARG 471 Ca 0.30 -0.20 0.06 0.00 -0.13 0.00 0.00 55.73 55.75 1nkq s ARG 471 Cb -0.12 -0.61 -0.02 0.00 -1.56 0.00 0.00 34.95 32.64 1nkq s ARG 471 CO 0.22 0.08 -0.23 0.54 -0.81 0.00 0.00 175.30 175.11 1nkq s VAL 472 N 0.13 2.26 -0.03 7.11 0.11 -0.03 -0.22 120.40 129.74 1nkq s VAL 472 Ca -0.01 -1.00 -0.05 0.00 -2.93 0.00 0.00 61.98 57.98 1nkq s VAL 472 Cb -0.06 -1.83 0.01 0.00 -1.53 0.00 0.00 36.38 32.97 1nkq s VAL 472 CO -0.00 0.57 0.12 -1.59 -3.33 0.00 0.00 175.10 170.87 1nkq s LYS 473 N -0.35 0.24 -0.05 1.54 -2.85 -0.07 -1.65 119.74 116.55 1nkq s LYS 473 Ca 0.02 -0.01 0.01 0.00 -1.00 0.00 0.00 55.97 54.99 1nkq s LYS 473 Cb -0.12 0.11 0.02 0.00 -2.06 0.00 0.00 37.83 35.77 1nkq s LYS 473 CO 0.02 -0.04 -0.06 0.00 0.10 0.00 0.00 175.35 175.37 1nkq s SER 475 N 0.94 2.34 -0.21 0.00 0.01 0.58 -1.05 113.70 116.32 1nkq s SER 475 Ca -0.11 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 56.78 1nkq s SER 475 Cb -0.14 -0.25 0.02 0.00 0.21 0.00 0.00 66.02 65.85 1nkq s SER 475 CO 0.00 0.23 -0.15 -0.69 0.41 0.00 0.00 173.24 173.05 1nkq s VAL 476 N -0.50 2.37 -1.45 3.43 1.01 -0.10 -1.11 120.40 124.05 1nkq s VAL 476 Ca 0.08 -0.99 -0.09 0.00 0.00 0.00 0.00 61.98 60.98 1nkq s VAL 476 Cb -0.08 -2.10 0.05 0.00 0.00 0.00 0.00 36.38 34.26 1nkq s VAL 476 CO -0.00 0.39 0.90 0.59 0.00 0.00 0.00 175.10 176.98 1nkq n ASN 477 N 4.63 -3.69 0.00 3.32 3.02 0.02 -1.62 115.26 120.93 1nkq n ASN 477 Ca -0.19 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 1nkq n ASN 477 Cb 0.49 -3.98 0.00 0.00 -0.61 0.00 0.00 39.78 35.67 1nkq n ASN 477 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nkq n GLY 478 N -1.68 2.45 3.59 7.41 0.00 -1.26 -5.01 105.19 110.69 1nkq n GLY 478 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 1nkq n GLY 478 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1nkq s GLN 479 N -0.17 3.86 -0.31 1.61 0.74 -0.64 -5.02 119.66 119.73 1nkq s GLN 479 Ca 0.00 0.08 -0.29 0.00 0.05 0.00 0.00 55.36 55.20 1nkq s GLN 479 Cb 0.00 -3.72 0.01 0.00 1.10 0.00 0.00 33.01 30.39 1nkq s GLN 479 CO 0.00 -0.48 1.25 -1.17 -0.55 0.00 0.00 175.29 174.34 1nkq s LEU 480 N 2.34 3.88 -0.19 3.68 2.96 -1.26 -0.92 118.68 129.17 1nkq s LEU 480 Ca 0.20 1.14 0.02 0.00 -0.22 0.00 0.00 54.13 55.26 1nkq s LEU 480 Cb -0.15 -3.54 -0.13 0.00 0.50 0.00 0.00 46.19 42.87 1nkq s LEU 480 CO 0.11 -1.05 -0.16 0.54 -1.32 0.00 0.00 176.35 174.47 1nkq n ARG 481 N 7.25 0.50 -5.07 1.98 1.74 -0.22 -4.98 116.66 117.87 1nkq n ARG 481 Ca 0.14 0.11 -0.32 0.00 -0.77 0.00 0.00 57.85 57.01 1nkq n ARG 481 Cb 0.47 -1.38 -0.15 0.00 -1.02 0.00 0.00 32.46 30.38 1nkq n ARG 481 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1nkq s GLN 482 N -2.38 2.46 -0.33 5.56 -0.21 -0.85 -4.43 119.66 119.47 1nkq s GLN 482 Ca -0.25 -0.80 0.02 0.00 0.02 0.00 0.00 55.36 54.35 1nkq s GLN 482 Cb 0.07 -2.26 0.19 0.00 1.00 0.00 0.00 33.01 32.00 1nkq s GLN 482 CO 0.44 0.54 0.72 0.34 -2.12 0.00 0.00 175.29 175.21 1nkq s ASP 483 N -0.53 -1.29 0.01 5.90 -1.08 -1.25 -1.06 116.67 117.37 1nkq s ASP 483 Ca 0.07 -0.18 -0.02 0.00 -0.52 0.00 0.00 52.55 51.90 1nkq s ASP 483 Cb -0.11 1.73 -0.01 0.00 -1.46 0.00 0.00 42.92 43.07 1nkq s ASP 483 CO 0.01 -0.20 0.01 -0.83 0.52 0.00 0.00 175.17 174.69 1nkq s GLY 484 N 2.44 0.15 0.17 2.66 0.00 -0.66 -4.99 107.32 107.09 1nkq s GLY 484 Ca 0.15 -0.36 -0.07 0.00 0.00 0.00 0.00 44.72 44.44 1nkq s GLY 484 CO -0.18 -0.43 0.44 -0.32 0.00 0.00 0.00 173.10 172.61 1nkq s GLY 485 N -1.14 2.27 0.00 0.20 0.00 -1.26 -0.85 107.32 106.54 1nkq s GLY 485 Ca -0.12 -0.43 0.08 0.00 0.00 0.00 0.00 44.72 44.25 1nkq s GLY 485 CO -0.00 -0.31 1.12 -1.30 0.00 0.00 0.00 173.10 172.60 1nkq n THR 486 N 0.11 0.79 1.20 0.90 -2.24 0.87 -1.22 114.28 114.70 1nkq n THR 486 Ca -0.02 0.20 0.12 0.00 -2.27 0.00 0.00 64.05 62.08 1nkq n THR 486 Cb 0.52 -1.06 0.64 0.00 -2.10 0.00 0.00 70.33 68.33 1nkq n THR 486 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1nkq n ASN 487 N -1.27 0.00 -4.42 3.42 0.23 -1.24 -4.69 115.26 107.29 1nkq n ASN 487 Ca 0.04 -0.08 -0.44 0.00 -0.53 0.00 0.00 54.58 53.57 1nkq n ASN 487 Cb 0.06 -0.28 -0.03 0.00 -2.08 0.00 0.00 39.78 37.45 1nkq n ASN 487 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1nkq s LEU 488 N -2.57 5.25 0.00 -4.53 1.43 -0.35 -4.99 118.68 112.92 1nkq s LEU 488 Ca 0.24 -1.85 0.00 0.00 -1.03 0.00 0.00 54.13 51.49 1nkq s LEU 488 Cb 0.17 -2.36 0.00 0.00 0.03 0.00 0.00 46.19 44.03 1nkq s LEU 488 CO 0.39 -1.07 0.00 0.18 0.23 0.00 0.00 176.35 176.08 1nkq n LEU 490 N 6.33 0.93 -4.06 1.79 4.77 -0.39 -0.25 117.00 126.13 1nkq n LEU 490 Ca 0.12 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.78 1nkq n LEU 490 Cb 0.47 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.41 1nkq n LEU 490 CO 0.52 0.16 -0.37 -1.00 -1.33 0.00 0.00 177.39 175.37 1nkq s HIS 491 N -1.39 3.54 0.85 -1.77 3.76 -1.26 -5.08 115.29 113.93 1nkq s HIS 491 Ca 0.00 -2.63 -0.13 0.00 -0.15 0.00 0.00 55.06 52.15 1nkq s HIS 491 Cb 0.00 -2.53 0.08 0.00 1.11 0.00 0.00 32.58 31.24 1nkq s HIS 491 CO 0.00 -0.91 0.97 -0.35 -0.85 0.00 0.00 174.74 173.60 1nkq n PRO 492 N 4.37 -0.06 -0.30 8.40 -0.04 -1.26 -4.63 135.00 141.48 1nkq n PRO 492 Ca -0.04 0.05 0.01 0.00 -0.04 0.00 0.00 63.50 63.48 1nkq n PRO 492 Cb 0.42 -2.25 0.08 0.00 -0.04 0.00 0.00 33.50 31.71 1nkq n PRO 492 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1nkq h LEU 493 N -1.23 -0.96 -1.53 1.53 4.07 -1.95 -0.27 115.31 114.97 1nkq h LEU 493 Ca -0.45 0.26 -0.03 0.00 0.08 0.00 0.00 57.88 57.74 1nkq h LEU 493 Cb 1.29 0.57 -0.01 0.00 1.08 0.00 0.00 40.66 43.60 1nkq h LEU 493 CO 0.42 -0.29 -0.06 1.12 -1.08 0.00 0.00 178.44 178.56 1nkq h HIS 494 N -0.03 0.24 -0.00 1.13 2.07 -1.91 -2.53 115.15 114.11 1nkq h HIS 494 Ca 0.37 -0.02 -0.17 0.00 -2.85 0.00 0.00 60.37 57.70 1nkq h HIS 494 Cb 0.61 -0.07 -0.02 0.00 2.57 0.00 0.00 27.41 30.50 1nkq h HIS 494 CO -0.70 0.30 -0.79 0.87 -3.07 0.00 0.00 177.93 174.54 1nkq h LYS 495 N 0.23 0.08 0.33 5.12 1.57 -1.40 -2.08 116.57 120.42 1nkq h LYS 495 Ca 0.05 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1nkq h LYS 495 Cb 0.25 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1nkq h LYS 495 CO 0.01 0.83 -0.16 0.82 -0.57 0.00 0.00 179.45 180.38 1nkq h ILE 496 N 0.05 0.69 0.18 1.86 2.04 -0.96 -0.15 117.51 121.21 1nkq h ILE 496 Ca -0.02 -0.42 0.01 0.00 1.00 0.00 0.00 64.86 65.43 1nkq h ILE 496 Cb 1.39 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 1nkq h ILE 496 CO 0.11 0.08 -0.24 -0.07 0.00 0.00 0.00 178.15 178.03 1nkq h LEU 497 N -0.68 -0.65 0.13 1.44 3.38 -1.51 -1.15 115.31 116.26 1nkq h LEU 497 Ca -0.05 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1nkq h LEU 497 Cb 0.48 0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 1nkq h LEU 497 CO 0.07 -0.34 -0.29 -0.61 0.09 0.00 0.00 178.44 177.37 1nkq h GLN 498 N -0.48 -0.50 -0.73 1.13 -0.00 -1.40 -2.34 115.11 110.80 1nkq h GLN 498 Ca 0.01 0.03 -0.00 0.00 -0.00 0.00 0.00 58.65 58.69 1nkq h GLN 498 Cb 0.47 0.11 -0.04 0.00 0.00 0.00 0.00 27.48 28.02 1nkq h GLN 498 CO -0.09 -0.33 0.45 1.25 0.00 0.00 0.00 178.83 180.11 1nkq h HIS 499 N -0.52 0.95 -0.73 3.99 2.76 -0.94 -2.91 115.15 117.75 1nkq h HIS 499 Ca 0.03 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.14 1nkq h HIS 499 Cb 0.54 -0.31 -0.03 0.00 1.55 0.00 0.00 27.41 29.15 1nkq h HIS 499 CO -0.26 0.63 0.21 0.82 -1.30 0.00 0.00 177.93 178.03 1nkq h ILE 500 N 0.99 1.26 -0.07 6.26 2.04 -1.09 -2.39 117.51 124.52 1nkq h ILE 500 Ca 0.26 -0.94 0.02 0.00 1.00 0.00 0.00 64.86 65.20 1nkq h ILE 500 Cb -0.05 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1nkq h ILE 500 CO -0.05 0.37 0.12 0.77 0.00 0.00 0.00 178.15 179.36 1nkq h SER 501 N 1.10 0.00 0.00 1.72 4.64 -1.22 0.06 113.55 119.84 1nkq h SER 501 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1nkq h SER 501 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1nkq h SER 501 CO -0.00 0.00 0.00 1.07 -0.87 0.00 0.00 176.83 177.03 1nkq n THR 502 N -3.45 0.00 -1.39 2.95 5.66 -0.90 -0.65 114.28 116.49 1nkq n THR 502 Ca -0.01 0.00 -0.50 0.00 -3.05 0.00 0.00 64.05 60.49 1nkq n THR 502 Cb 0.21 -0.36 -0.12 0.00 -1.55 0.00 0.00 70.33 68.51 1nkq n THR 502 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 1nkq n ILE 504 N -0.70 0.03 -1.73 1.09 5.41 0.01 -4.84 119.36 118.63 1nkq n ILE 504 Ca 0.06 -0.10 -0.41 0.00 1.00 0.00 0.00 62.75 63.30 1nkq n ILE 504 Cb 0.03 -0.87 0.01 0.00 -0.71 0.00 0.00 39.64 38.10 1nkq n ILE 504 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1nkq n SER 505 N 9.58 2.88 -4.76 4.38 7.64 -1.26 -4.90 113.62 127.18 1nkq n SER 505 Ca 0.55 1.12 -0.36 0.00 1.01 0.00 0.00 58.87 61.19 1nkq n SER 505 Cb 0.07 -1.54 -0.08 0.00 -1.01 0.00 0.00 64.21 61.65 1nkq n SER 505 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1nkq s LEU 506 N -2.02 3.95 0.26 -3.43 1.43 0.03 -4.97 118.68 113.94 1nkq s LEU 506 Ca 0.61 0.28 0.09 0.00 -1.03 0.00 0.00 54.13 54.07 1nkq s LEU 506 Cb -0.49 -1.94 -0.05 0.00 0.03 0.00 0.00 46.19 43.74 1nkq s LEU 506 CO 0.58 0.37 -0.13 -1.83 0.23 0.00 0.00 176.35 175.58 1nkq s GLU 507 N -0.83 1.53 0.12 1.70 -1.05 -1.26 -0.46 118.70 118.44 1nkq s GLU 507 Ca 0.13 -1.72 -0.36 0.00 -0.15 0.00 0.00 54.97 52.87 1nkq s GLU 507 Cb -0.12 -1.35 -0.16 0.00 -0.44 0.00 0.00 34.13 32.07 1nkq s GLU 507 CO 0.03 0.18 1.36 -2.30 0.95 0.00 0.00 175.26 175.47 1nkq n PRO 508 N -0.54 1.35 0.00 -4.83 -0.02 -1.21 -1.97 135.00 127.78 1nkq n PRO 508 Ca -0.06 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1nkq n PRO 508 Cb 0.61 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 1nkq n PRO 508 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nkq n GLY 509 N 2.59 3.31 3.73 -1.23 0.00 0.06 -4.79 105.19 108.86 1nkq n GLY 509 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1nkq n GLY 509 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nkq n ASP 510 N 0.00 2.90 -4.52 1.61 8.00 -0.83 -3.81 116.55 119.89 1nkq n ASP 510 Ca 0.00 1.10 -0.34 0.00 0.71 0.00 0.00 54.79 56.26 1nkq n ASP 510 Cb 0.00 -1.55 -0.12 0.00 -0.02 0.00 0.00 41.12 39.43 1nkq n ASP 510 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1nkq s ILE 511 N -1.21 4.04 -0.25 0.53 1.01 -0.72 -0.87 121.20 123.73 1nkq s ILE 511 Ca 0.62 -0.31 -0.02 0.00 0.00 0.00 0.00 60.65 60.94 1nkq s ILE 511 Cb -0.47 -2.78 0.02 0.00 0.01 0.00 0.00 42.46 39.24 1nkq s ILE 511 CO 0.57 0.49 -0.05 -0.63 0.00 0.00 0.00 174.94 175.32 1nkq s ILE 512 N 0.33 3.02 -0.27 2.92 -1.09 0.68 -1.85 121.20 124.95 1nkq s ILE 512 Ca -0.03 -0.91 -0.18 0.00 -2.23 0.00 0.00 60.65 57.30 1nkq s ILE 512 Cb -0.14 -2.50 -0.02 0.00 -1.58 0.00 0.00 42.46 38.21 1nkq s ILE 512 CO 0.03 0.24 0.53 -0.76 -1.23 0.00 0.00 174.94 173.74 1nkq s LEU 513 N 1.36 4.07 -0.07 2.97 1.43 -0.50 -0.99 118.68 126.95 1nkq s LEU 513 Ca 0.01 0.50 0.08 0.00 -1.03 0.00 0.00 54.13 53.69 1nkq s LEU 513 Cb -0.16 -2.68 0.36 0.00 0.03 0.00 0.00 46.19 43.74 1nkq s LEU 513 CO -0.04 -0.31 1.15 0.35 0.23 0.00 0.00 176.35 177.73 1nkq n THR 514 N 5.19 1.00 0.00 5.49 -2.24 -0.80 -2.01 114.28 120.91 1nkq n THR 514 Ca -0.04 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 1nkq n THR 514 Cb 0.50 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 1nkq n THR 514 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nkq n GLY 515 N 0.57 1.61 3.17 3.38 0.00 -1.26 -4.82 105.19 107.84 1nkq n GLY 515 Ca 0.13 -2.01 -0.20 0.00 0.00 0.00 0.00 46.02 43.94 1nkq n GLY 515 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1nkq s THR 516 N -2.13 1.18 0.92 2.61 -1.32 -1.26 -4.20 115.64 111.43 1nkq s THR 516 Ca 0.00 -1.16 -0.14 0.00 -1.21 0.00 0.00 61.69 59.18 1nkq s THR 516 Cb 0.00 -1.09 0.15 0.00 -1.51 0.00 0.00 72.50 70.05 1nkq s THR 516 CO 0.00 -0.07 1.21 -2.16 -2.21 0.00 0.00 174.62 171.39 1nkq s PRO 517 N -1.42 1.07 1.10 7.08 0.04 -1.26 -4.42 135.00 137.19 1nkq s PRO 517 Ca 0.01 -0.04 -0.12 0.00 0.04 0.00 0.00 61.00 60.89 1nkq s PRO 517 Cb -0.09 -1.86 0.25 0.00 0.04 0.00 0.00 34.50 32.84 1nkq s PRO 517 CO 0.02 -2.18 1.06 0.00 0.04 0.00 0.00 177.00 175.94 1nkq s ALA 518 N -3.57 0.03 0.00 8.56 0.00 -1.26 -4.38 121.76 121.14 1nkq s ALA 518 Ca 0.67 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.72 1nkq s ALA 518 Cb -0.09 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1nkq s ALA 518 CO 0.52 -3.58 0.00 0.41 0.00 0.00 0.00 175.76 173.11 1nkq n GLY 519 N 0.68 0.96 3.72 0.00 0.00 -1.26 -4.49 105.19 104.80 1nkq n GLY 519 Ca 0.05 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1nkq n GLY 519 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nkq s VAL 520 N -2.00 3.17 0.00 1.61 0.11 -1.26 -4.17 120.40 117.86 1nkq s VAL 520 Ca 0.00 0.87 0.00 0.00 -2.93 0.00 0.00 61.98 59.92 1nkq s VAL 520 Cb 0.00 -3.55 0.00 0.00 -1.53 0.00 0.00 36.38 31.30 1nkq s VAL 520 CO 0.00 0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.46 1nkq n GLY 521 N 3.27 5.72 3.79 6.54 0.00 -1.26 -4.97 105.19 118.29 1nkq n GLY 521 Ca 0.11 -1.92 -0.22 0.00 0.00 0.00 0.00 46.02 43.98 1nkq n GLY 521 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nkq s GLU 522 N -0.35 2.82 -0.11 1.61 2.12 -1.26 -2.07 118.70 121.46 1nkq s GLU 522 Ca 0.00 -1.11 -0.00 0.00 0.36 0.00 0.00 54.97 54.22 1nkq s GLU 522 Cb 0.00 -2.50 0.02 0.00 0.26 0.00 0.00 34.13 31.91 1nkq s GLU 522 CO 0.00 0.40 -0.07 -0.51 -0.54 0.00 0.00 175.26 174.53 1nkq s LEU 523 N -3.80 1.17 0.13 2.70 1.02 0.90 -4.84 118.68 115.96 1nkq s LEU 523 Ca 0.33 -0.29 0.07 0.00 0.02 0.00 0.00 54.13 54.25 1nkq s LEU 523 Cb -0.08 -0.83 -0.04 0.00 0.02 0.00 0.00 46.19 45.27 1nkq s LEU 523 CO 0.24 -0.12 -0.06 -0.54 0.02 0.00 0.00 176.35 175.90 1nkq s LYS 524 N 1.70 2.26 0.19 1.70 1.02 -1.26 -4.25 119.74 121.09 1nkq s LYS 524 Ca 0.05 -1.06 -0.33 0.00 0.02 0.00 0.00 55.97 54.65 1nkq s LYS 524 Cb -0.13 -2.33 -0.15 0.00 -0.52 0.00 0.00 37.83 34.70 1nkq s LYS 524 CO -0.08 0.49 1.28 -2.30 -0.92 0.00 0.00 175.35 173.82 1nkq n PRO 525 N 0.34 1.50 0.00 -1.68 -0.02 -1.26 -0.57 135.00 133.31 1nkq n PRO 525 Ca -0.12 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1nkq n PRO 525 Cb 0.54 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 1nkq n PRO 525 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nkq n GLY 526 N 2.18 3.39 3.77 -1.23 0.00 -0.18 -4.98 105.19 108.14 1nkq n GLY 526 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1nkq n GLY 526 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nkq s ASP 527 N -0.59 6.27 -0.12 1.61 1.11 0.26 -4.74 116.67 120.47 1nkq s ASP 527 Ca 0.00 2.74 -0.04 0.00 0.18 0.00 0.00 52.55 55.43 1nkq s ASP 527 Cb 0.00 -2.64 -0.04 0.00 1.07 0.00 0.00 42.92 41.31 1nkq s ASP 527 CO 0.00 -0.89 0.04 -0.13 1.18 0.00 0.00 175.17 175.37 1nkq s ARG 528 N -2.23 3.34 -0.12 8.23 0.52 -1.26 -2.16 118.95 125.27 1nkq s ARG 528 Ca 0.57 -0.35 0.03 0.00 -0.52 0.00 0.00 55.73 55.46 1nkq s ARG 528 Cb -0.40 -2.97 0.01 0.00 0.52 0.00 0.00 34.95 32.11 1nkq s ARG 528 CO 0.52 0.59 -0.20 0.08 0.02 0.00 0.00 175.30 176.31 1nkq s VAL 529 N -0.55 1.82 -0.19 3.52 1.01 -0.41 -0.80 120.40 124.80 1nkq s VAL 529 Ca 0.10 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1nkq s VAL 529 Cb -0.12 -1.61 0.01 0.00 0.00 0.00 0.00 36.38 34.66 1nkq s VAL 529 CO 0.02 0.50 -0.17 -2.28 0.00 0.00 0.00 175.10 173.18 1nkq s HIS 530 N 0.77 2.81 0.05 5.22 2.46 -0.27 -1.33 115.29 125.00 1nkq s HIS 530 Ca -0.10 -1.46 0.09 0.00 0.47 0.00 0.00 55.06 54.05 1nkq s HIS 530 Cb -0.16 -1.95 -0.03 0.00 -0.13 0.00 0.00 32.58 30.31 1nkq s HIS 530 CO 0.01 -0.73 -0.24 0.00 -2.47 0.00 0.00 174.74 171.31 1nkq s GLU 532 N -1.29 0.48 -0.09 0.00 2.02 0.88 -4.40 118.70 116.30 1nkq s GLU 532 Ca 0.10 -0.76 0.03 0.00 0.02 0.00 0.00 54.97 54.35 1nkq s GLU 532 Cb -0.09 -0.12 0.01 0.00 0.10 0.00 0.00 34.13 34.02 1nkq s GLU 532 CO 0.02 0.00 -0.17 -1.17 0.02 0.00 0.00 175.26 173.96 1nkq s LEU 533 N -1.69 1.84 0.05 1.80 2.96 -0.07 -0.89 118.68 122.69 1nkq s LEU 533 Ca -0.10 -0.43 0.08 0.00 -0.22 0.00 0.00 54.13 53.46 1nkq s LEU 533 Cb -0.08 -1.10 -0.03 0.00 0.50 0.00 0.00 46.19 45.48 1nkq s LEU 533 CO -0.01 0.08 -0.22 -0.76 -1.32 0.00 0.00 176.35 174.12 1nkq s LEU 534 N 0.59 2.19 -0.20 -0.68 1.02 0.70 -1.22 118.68 121.08 1nkq s LEU 534 Ca -0.15 -0.56 0.01 0.00 0.02 0.00 0.00 54.13 53.45 1nkq s LEU 534 Cb -0.17 -1.02 0.03 0.00 0.02 0.00 0.00 46.19 45.06 1nkq s LEU 534 CO 0.05 0.16 -0.17 -1.58 0.02 0.00 0.00 176.35 174.83 1nkq s GLN 535 N -1.32 2.70 -1.46 1.70 0.74 0.15 -0.40 119.66 121.77 1nkq s GLN 535 Ca 0.08 -0.95 -0.06 0.00 0.05 0.00 0.00 55.36 54.48 1nkq s GLN 535 Cb -0.09 -2.62 0.04 0.00 1.10 0.00 0.00 33.01 31.45 1nkq s GLN 535 CO 0.02 -0.32 0.67 0.09 -0.55 0.00 0.00 175.29 175.20 1nkq n ASN 536 N 4.58 -1.96 0.00 6.67 3.02 0.68 -0.65 115.26 127.60 1nkq n ASN 536 Ca -0.19 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.45 1nkq n ASN 536 Cb 0.48 -3.42 0.00 0.00 -0.61 0.00 0.00 39.78 36.23 1nkq n ASN 536 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1nkq n ASN 537 N -2.92 0.00 -4.82 6.41 3.02 -1.26 -4.99 115.26 110.70 1nkq n ASN 537 Ca -0.17 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.00 1nkq n ASN 537 Cb 0.62 -1.13 -0.06 0.00 -0.61 0.00 0.00 39.78 38.60 1nkq n ASN 537 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1nkq s ASP 538 N -2.59 6.67 -0.10 6.41 1.01 0.18 -5.01 116.67 123.23 1nkq s ASP 538 Ca 0.00 0.80 -0.30 0.00 0.71 0.00 0.00 52.55 53.77 1nkq s ASP 538 Cb 0.00 -2.21 -0.02 0.00 1.01 0.00 0.00 42.92 41.69 1nkq s ASP 538 CO 0.00 0.29 1.23 0.21 0.21 0.00 0.00 175.17 177.11 1nkq s ASN 539 N -0.75 7.00 -0.00 0.27 3.84 -1.26 0.31 114.94 124.35 1nkq s ASN 539 Ca 0.21 1.76 0.04 0.00 0.21 0.00 0.00 52.86 55.08 1nkq s ASN 539 Cb -0.15 -2.55 -0.04 0.00 -0.55 0.00 0.00 41.25 37.96 1nkq s ASN 539 CO 0.10 -0.66 0.15 2.30 -2.79 0.00 0.00 177.10 176.20 1nkq n ILE 540 N 4.93 0.00 -3.70 -5.21 -5.35 -0.36 -4.92 119.36 104.76 1nkq n ILE 540 Ca 0.12 -0.39 -0.11 0.00 -0.27 0.00 0.00 62.75 62.09 1nkq n ILE 540 Cb 0.46 0.96 -0.12 0.00 -1.74 0.00 0.00 39.64 39.20 1nkq n ILE 540 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1nkq s VAL 541 N -1.40 -0.19 0.02 7.28 1.01 -1.04 -4.99 120.40 121.10 1nkq s VAL 541 Ca 0.01 0.16 -0.00 0.00 0.00 0.00 0.00 61.98 62.15 1nkq s VAL 541 Cb 0.03 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 1nkq s VAL 541 CO 0.15 0.07 -0.02 -0.62 0.00 0.00 0.00 175.10 174.67 1nkq s ASP 542 N 1.71 0.19 -0.26 3.32 -1.08 -1.26 -0.89 116.67 118.40 1nkq s ASP 542 Ca -0.06 -0.39 -0.26 0.00 -0.52 0.00 0.00 52.55 51.32 1nkq s ASP 542 Cb -0.10 0.08 0.13 0.00 -1.46 0.00 0.00 42.92 41.57 1nkq s ASP 542 CO -0.11 -0.23 1.09 0.20 0.52 0.00 0.00 175.17 176.64 1nkq s ASN 544 N -1.14 -0.37 0.12 -0.34 0.01 -1.26 -5.03 114.94 106.93 1nkq s ASN 544 Ca -0.12 0.66 0.03 0.00 -0.71 0.00 0.00 52.86 52.71 1nkq s ASN 544 Cb -0.08 0.65 -0.04 0.00 0.41 0.00 0.00 41.25 42.18 1nkq s ASN 544 CO -0.01 -0.16 -0.07 -0.36 -1.51 0.00 0.00 177.10 174.98 1nkq s PHE 545 N -0.08 1.03 0.16 2.20 0.40 -0.44 -4.50 117.98 116.75 1nkq s PHE 545 Ca 0.03 -0.87 0.11 0.00 -0.60 0.00 0.00 56.93 55.60 1nkq s PHE 545 Cb -0.04 -0.57 -0.04 0.00 0.51 0.00 0.00 43.02 42.88 1nkq s PHE 545 CO -0.06 -0.07 -0.24 -1.21 0.70 0.00 0.00 175.22 174.33 1nkq s GLU 546 N -3.81 1.42 -0.11 0.44 2.02 -1.26 -1.28 118.70 116.12 1nkq s GLU 546 Ca 0.14 -1.42 -0.01 0.00 0.02 0.00 0.00 54.97 53.69 1nkq s GLU 546 Cb 0.04 -1.77 -0.03 0.00 0.10 0.00 0.00 34.13 32.47 1nkq s GLU 546 CO -0.03 0.40 -0.04 0.00 0.02 0.00 0.00 175.26 175.61 1nkq s GLU 548 N -0.37 1.86 -0.05 0.00 2.02 0.57 -1.01 118.70 121.71 1nkq s GLU 548 Ca 0.06 -2.11 -0.22 0.00 0.02 0.00 0.00 54.97 52.72 1nkq s GLU 548 Cb -0.12 -0.67 -0.04 0.00 0.10 0.00 0.00 34.13 33.40 1nkq s GLU 548 CO 0.02 -0.41 0.66 -0.80 0.02 0.00 0.00 175.26 174.76 1nkq s ASN 549 N -3.58 6.98 0.07 -0.19 0.01 -1.26 -0.31 114.94 116.66 1nkq s ASN 549 Ca 0.27 1.17 -0.30 0.00 -0.71 0.00 0.00 52.86 53.29 1nkq s ASN 549 Cb 0.04 -2.40 -0.05 0.00 0.41 0.00 0.00 41.25 39.25 1nkq s ASN 549 CO 0.14 -0.05 1.06 -0.60 -1.51 0.00 0.00 177.10 176.15 1nkq s ARG 550 N 0.50 4.55 0.00 -0.60 3.52 -0.24 -4.76 118.95 121.93 1nkq s ARG 550 Ca 0.35 1.58 0.00 0.00 -0.13 0.00 0.00 55.73 57.53 1nkq s ARG 550 Cb -0.18 -3.38 0.00 0.00 -1.56 0.00 0.00 34.95 29.83 1nkq s ARG 550 CO 0.18 -0.05 0.00 -2.30 -0.81 0.00 0.00 175.30 172.32 1nkq n PRO 551 N 3.46 2.38 -0.08 5.12 -0.02 -1.26 -4.60 135.00 140.00 1nkq n PRO 551 Ca 0.06 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.55 1nkq n PRO 551 Cb 0.48 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 33.96 1nkq n PRO 551 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nkq n GLY 552 N 4.15 -2.10 0.07 -1.23 0.00 -1.26 -4.58 105.19 100.24 1nkq n GLY 552 Ca 0.00 -1.47 0.14 0.00 0.00 0.00 0.00 46.02 44.69 1nkq n GLY 552 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1nkq n PRO 553 N -2.51 0.48 -1.93 1.61 -0.04 -1.26 -4.92 135.00 126.43 1nkq n PRO 553 Ca -0.00 -0.14 -0.41 0.00 -0.04 0.00 0.00 63.50 62.91 1nkq n PRO 553 Cb 0.04 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 31.99 1nkq n PRO 553 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1nkq s TYR 554 N -2.62 2.76 -0.22 0.54 5.04 -1.26 -5.01 117.35 116.57 1nkq s TYR 554 Ca 0.25 1.28 -0.05 0.00 -2.44 0.00 0.00 57.07 56.11 1nkq s TYR 554 Cb 0.20 -3.87 0.11 0.00 0.35 0.00 0.00 41.96 38.75 1nkq s TYR 554 CO 0.50 -2.53 0.42 -2.00 -1.34 0.00 0.00 175.55 170.60 1nkq s GLU 555 N -2.02 0.35 0.11 4.97 2.12 -1.26 -4.24 118.70 118.72 1nkq s GLU 555 Ca 0.52 0.86 -0.31 0.00 0.36 0.00 0.00 54.97 56.40 1nkq s GLU 555 Cb -0.43 0.06 -0.09 0.00 0.26 0.00 0.00 34.13 33.93 1nkq s GLU 555 CO 0.58 -0.41 1.58 0.12 -0.54 0.00 0.00 175.26 176.59 1nkq s PHE 556 N 2.61 2.78 -0.14 5.30 5.36 0.12 -4.96 117.98 129.05 1nkq s PHE 556 Ca 0.05 0.52 -0.06 0.00 -0.96 0.00 0.00 56.93 56.48 1nkq s PHE 556 Cb -0.13 -3.91 0.06 0.00 -0.34 0.00 0.00 43.02 38.70 1nkq s PHE 556 CO -0.14 -3.49 0.31 1.03 -1.46 0.00 0.00 175.22 171.47 1nkq s ARG 557 N 1.88 0.24 0.00 10.12 3.00 -1.26 -4.67 118.95 128.26 1nkq s ARG 557 Ca 0.71 0.73 0.10 0.00 0.00 0.00 0.00 55.73 57.27 1nkq s ARG 557 Cb -0.41 -0.01 0.60 0.00 0.00 0.00 0.00 34.95 35.14 1nkq s ARG 557 CO 0.31 -0.21 1.05 0.39 0.00 0.00 0.00 175.30 176.84