#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 0.00 -0.22 0.66 4.02 -1.26 -1.29 117.16 119.07 1nkq n TYR 303 Ca 0.00 -0.21 0.22 0.00 -0.01 0.00 0.00 57.90 57.90 1nkq n TYR 303 Cb 0.00 -0.02 0.57 0.00 -0.02 0.00 0.00 39.34 39.87 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 0.00 0.29 -0.13 7.72 2.35 -1.73 -0.92 115.58 123.16 1nkq h ASN 304 Ca 0.00 0.03 0.04 0.00 -0.55 0.00 0.00 56.30 55.82 1nkq h ASN 304 Cb 0.25 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 1nkq h ASN 304 CO 0.00 0.11 0.12 0.10 -1.65 0.00 0.00 177.43 176.11 1nkq h TYR 305 N 0.29 0.00 -0.01 1.19 -0.00 -1.87 -1.56 116.97 115.01 1nkq h TYR 305 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.19 1nkq h TYR 305 Cb 1.32 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 38.04 1nkq h TYR 305 CO -0.00 0.00 0.01 -0.07 -0.00 0.00 0.00 178.16 178.10 1nkq h LEU 306 N 0.00 0.00 -0.76 0.10 4.07 -1.46 -1.57 115.31 115.69 1nkq h LEU 306 Ca 0.06 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.91 1nkq h LEU 306 Cb 0.31 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.03 1nkq h LEU 306 CO -0.00 0.00 -0.55 0.11 -1.08 0.00 0.00 178.44 176.92 1nkq h LYS 307 N 0.00 0.00 -0.00 1.13 1.57 -1.46 -3.02 116.57 114.78 1nkq h LYS 307 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1nkq h LYS 307 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1nkq h LYS 307 CO -0.00 0.55 -0.16 0.00 -0.57 0.00 0.00 179.45 179.26 1nkq n ALA 308 N -2.37 2.86 -2.20 3.86 0.00 -0.61 -4.82 120.51 117.24 1nkq n ALA 308 Ca -0.01 -0.29 -0.42 0.00 0.00 0.00 0.00 53.44 52.72 1nkq n ALA 308 Cb 0.60 -1.29 -0.02 0.00 0.00 0.00 0.00 19.45 18.74 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 -2.56 2.87 -0.77 0.00 0.00 -1.13 -4.51 121.76 115.65 1nkq s ALA 309 Ca 0.25 -0.11 0.23 0.00 0.00 0.00 0.00 51.96 52.34 1nkq s ALA 309 Cb 0.20 -4.02 0.15 0.00 0.00 0.00 0.00 23.12 19.44 1nkq s ALA 309 CO 0.51 -2.68 1.13 0.54 0.00 0.00 0.00 175.76 175.25 1nkq n ARG 310 N 8.38 0.17 -3.54 0.00 1.74 -1.26 -4.95 116.66 117.20 1nkq n ARG 310 Ca 0.19 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 57.13 1nkq n ARG 310 Cb 0.48 -1.56 -0.05 0.00 -1.02 0.00 0.00 32.46 30.31 1nkq n ARG 310 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1nkq s LYS 311 N -3.11 1.08 -0.19 5.56 2.20 -1.26 -4.98 119.74 119.04 1nkq s LYS 311 Ca 0.06 -0.16 -0.03 0.00 -0.36 0.00 0.00 55.97 55.48 1nkq s LYS 311 Cb 0.15 0.50 0.06 0.00 -1.51 0.00 0.00 37.83 37.03 1nkq s LYS 311 CO 0.78 -0.39 0.03 0.42 -0.36 0.00 0.00 175.35 175.83 1nkq s ILE 312 N -2.38 0.53 -0.05 5.43 1.01 -1.25 -1.87 121.20 122.62 1nkq s ILE 312 Ca -0.06 -0.53 0.05 0.00 0.00 0.00 0.00 60.65 60.11 1nkq s ILE 312 Cb -0.01 -1.02 -0.02 0.00 0.01 0.00 0.00 42.46 41.42 1nkq s ILE 312 CO -0.01 -0.18 -0.18 -0.51 0.00 0.00 0.00 174.94 174.05 1nkq s ILE 313 N 1.86 2.70 0.15 2.92 2.07 -0.92 -1.65 121.20 128.33 1nkq s ILE 313 Ca -0.01 -0.86 0.08 0.00 -1.41 0.00 0.00 60.65 58.46 1nkq s ILE 313 Cb -0.17 -2.03 -0.04 0.00 0.13 0.00 0.00 42.46 40.36 1nkq s ILE 313 CO -0.08 0.58 -0.18 0.00 -1.91 0.00 0.00 174.94 173.36 1nkq s ILE 315 N -1.98 3.63 0.33 0.00 2.07 -0.96 -1.53 121.20 122.76 1nkq s ILE 315 Ca 0.14 -0.72 0.07 0.00 -1.41 0.00 0.00 60.65 58.73 1nkq s ILE 315 Cb -0.06 -2.55 -0.03 0.00 0.13 0.00 0.00 42.46 39.95 1nkq s ILE 315 CO 0.06 0.44 0.30 -0.83 -1.91 0.00 0.00 174.94 172.99 1nkq s GLY 316 N -1.29 1.76 -0.58 1.50 0.00 -0.70 -3.95 107.32 104.06 1nkq s GLY 316 Ca 0.16 -1.64 -0.02 0.00 0.00 0.00 0.00 44.72 43.22 1nkq s GLY 316 CO 0.06 -1.57 0.41 0.54 0.00 0.00 0.00 173.10 172.54 1nkq n ARG 317 N -1.38 -1.00 -0.10 2.90 1.74 -1.26 -4.58 116.66 112.97 1nkq n ARG 317 Ca -0.02 0.45 0.06 0.00 -0.77 0.00 0.00 57.85 57.57 1nkq n ARG 317 Cb 0.60 -1.48 0.10 0.00 -1.02 0.00 0.00 32.46 30.67 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 -1.58 2.47 -4.13 0.55 4.05 -1.26 -4.97 115.26 110.38 1nkq n ASN 318 Ca -0.21 -2.57 -0.24 0.00 0.45 0.00 0.00 54.58 52.01 1nkq n ASN 318 Cb 0.46 -0.27 -0.15 0.00 1.23 0.00 0.00 39.78 41.05 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 -1.99 1.51 0.09 1.20 1.51 -1.26 -0.43 117.35 117.98 1nkq s TYR 319 Ca 0.21 -0.33 -0.30 0.00 -1.01 0.00 0.00 57.07 55.63 1nkq s TYR 319 Cb 0.17 -0.99 -0.06 0.00 -0.11 0.00 0.00 41.96 40.97 1nkq s TYR 319 CO 0.04 -0.07 1.20 0.00 -1.11 0.00 0.00 175.55 175.61 1nkq s ALA 320 N -0.23 3.41 -0.23 3.71 0.00 -0.55 -4.89 121.76 122.97 1nkq s ALA 320 Ca 0.03 0.87 0.22 0.00 0.00 0.00 0.00 51.96 53.09 1nkq s ALA 320 Cb -0.08 -3.44 -0.22 0.00 0.00 0.00 0.00 23.12 19.39 1nkq s ALA 320 CO 0.00 -0.41 0.69 0.00 0.00 0.00 0.00 175.76 176.04 1nkq n ALA 321 N 3.56 3.02 -2.96 0.00 0.00 -1.26 -4.82 120.51 118.04 1nkq n ALA 321 Ca 0.08 -0.46 -0.09 0.00 0.00 0.00 0.00 53.44 52.97 1nkq n ALA 321 Cb 0.46 -0.85 -0.11 0.00 0.00 0.00 0.00 19.45 18.95 1nkq n ALA 321 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1nkq s HIS 322 N -3.40 0.23 0.26 0.00 3.76 -1.26 -5.06 115.29 109.82 1nkq s HIS 322 Ca -0.04 -0.48 -0.01 0.00 -0.15 0.00 0.00 55.06 54.38 1nkq s HIS 322 Cb 0.13 -0.17 0.51 0.00 1.11 0.00 0.00 32.58 34.16 1nkq s HIS 322 CO 0.87 -0.22 1.79 0.97 -0.85 0.00 0.00 174.74 177.30 1nkq h ILE 323 N 4.51 0.82 -0.96 0.60 6.09 -2.02 -2.57 117.51 123.98 1nkq h ILE 323 Ca -0.32 -0.26 0.17 0.00 -1.37 0.00 0.00 64.86 63.08 1nkq h ILE 323 Cb 1.20 -0.00 -0.09 0.00 0.47 0.00 0.00 36.82 38.41 1nkq h ILE 323 CO 0.42 0.14 0.61 0.11 -3.07 0.00 0.00 178.15 176.35 1nkq h LYS 324 N 0.76 0.69 -1.03 2.19 6.56 -2.02 -1.36 116.57 122.36 1nkq h LYS 324 Ca 0.46 -0.04 -0.25 0.00 -1.06 0.00 0.00 60.65 59.76 1nkq h LYS 324 Cb 0.55 -0.16 -0.15 0.00 -0.57 0.00 0.00 32.23 31.91 1nkq h LYS 324 CO -0.31 0.46 0.32 -0.85 -2.06 0.00 0.00 179.45 177.01 1nkq n GLU 325 N -4.63 1.60 -3.82 3.15 0.28 -0.97 -5.20 120.64 111.05 1nkq n GLU 325 Ca 0.20 -1.43 -0.28 0.00 -0.16 0.00 0.00 57.16 55.49 1nkq n GLU 325 Cb 0.54 -1.56 -0.12 0.00 1.43 0.00 0.00 31.44 31.72 1nkq n GLU 325 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1nkq s LEU 326 N -1.57 4.11 0.00 -1.84 2.96 -0.52 -4.85 118.68 116.97 1nkq s LEU 326 Ca 0.27 -3.54 0.00 0.00 -0.22 0.00 0.00 54.13 50.64 1nkq s LEU 326 Cb 0.23 -1.42 0.00 0.00 0.50 0.00 0.00 46.19 45.50 1nkq s LEU 326 CO 0.05 -0.13 0.00 1.67 -1.32 0.00 0.00 176.35 176.62 1nkq n GLN 333 N 2.36 0.00 -3.65 1.98 0.00 -1.26 -5.15 117.38 111.66 1nkq n GLN 333 Ca 0.18 0.00 -0.33 0.00 -0.00 0.00 0.00 57.00 56.85 1nkq n GLN 333 Cb 0.36 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 30.55 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 3.66 0.22 3.69 0.04 -1.26 -5.08 135.00 136.28 1nkq s PRO 334 Ca 0.00 0.01 0.10 0.00 0.04 0.00 0.00 61.00 61.16 1nkq s PRO 334 Cb 0.00 -2.94 -0.05 0.00 0.04 0.00 0.00 34.50 31.55 1nkq s PRO 334 CO 0.00 0.53 -0.20 -0.59 0.04 0.00 0.00 177.00 176.79 1nkq s PHE 335 N -1.50 2.10 0.10 0.56 -0.12 -1.26 -5.03 117.98 112.83 1nkq s PHE 335 Ca 0.36 -0.40 0.04 0.00 -0.05 0.00 0.00 56.93 56.87 1nkq s PHE 335 Cb -0.13 -0.98 -0.04 0.00 -0.63 0.00 0.00 43.02 41.24 1nkq s PHE 335 CO 0.21 0.52 -0.11 -0.06 -0.05 0.00 0.00 175.22 175.73 1nkq s PHE 336 N -2.25 1.09 0.04 3.49 0.40 -1.26 -1.73 117.98 117.76 1nkq s PHE 336 Ca 0.23 -0.63 -0.12 0.00 -0.60 0.00 0.00 56.93 55.81 1nkq s PHE 336 Cb -0.05 -0.60 0.01 0.00 0.51 0.00 0.00 43.02 42.89 1nkq s PHE 336 CO 0.11 0.02 0.25 -0.59 0.70 0.00 0.00 175.22 175.70 1nkq s PHE 337 N -2.33 -0.03 0.42 0.36 -0.12 -0.58 -4.96 117.98 110.74 1nkq s PHE 337 Ca 0.05 -0.15 0.02 0.00 -0.05 0.00 0.00 56.93 56.80 1nkq s PHE 337 Cb -0.04 0.03 -0.01 0.00 -0.63 0.00 0.00 43.02 42.38 1nkq s PHE 337 CO 0.00 -0.47 0.61 -0.51 -0.05 0.00 0.00 175.22 174.81 1nkq s LEU 338 N -2.07 3.74 -0.01 -1.99 1.43 -1.26 -0.16 118.68 118.36 1nkq s LEU 338 Ca -0.05 0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 1nkq s LEU 338 Cb -0.01 -3.05 0.01 0.00 0.03 0.00 0.00 46.19 43.17 1nkq s LEU 338 CO -0.04 -0.62 0.01 -0.54 0.23 0.00 0.00 176.35 175.39 1nkq s LYS 339 N -4.45 0.06 0.30 1.70 1.02 -0.66 -4.88 119.74 112.84 1nkq s LYS 339 Ca 0.47 0.07 -0.28 0.00 0.02 0.00 0.00 55.97 56.25 1nkq s LYS 339 Cb -0.10 -0.18 -0.09 0.00 -0.52 0.00 0.00 37.83 36.93 1nkq s LYS 339 CO 0.36 -0.07 1.02 -1.25 -0.92 0.00 0.00 175.35 174.49 1nkq s PRO 340 N 0.52 4.58 0.38 -1.68 0.04 -1.26 -3.97 135.00 133.62 1nkq s PRO 340 Ca -0.05 1.58 0.26 0.00 0.04 0.00 0.00 61.00 62.84 1nkq s PRO 340 Cb -0.07 -3.01 1.38 0.00 0.04 0.00 0.00 34.50 32.84 1nkq s PRO 340 CO -0.01 0.22 1.81 1.79 0.04 0.00 0.00 177.00 180.85 1nkq h THR 341 N 2.83 0.00 0.00 1.26 1.35 -1.93 0.34 112.91 116.76 1nkq h THR 341 Ca -0.47 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1nkq h THR 341 Cb 1.21 0.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 1nkq h THR 341 CO 0.66 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.39 1nkq n SER 342 N -2.43 0.39 -0.19 5.36 3.41 -1.26 -2.21 113.62 116.69 1nkq n SER 342 Ca -0.01 0.59 0.14 0.00 -0.26 0.00 0.00 58.87 59.33 1nkq n SER 342 Cb 0.08 -0.68 0.55 0.00 -0.26 0.00 0.00 64.21 63.90 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 -1.93 0.73 -4.77 4.04 3.41 0.11 -4.37 113.62 110.85 1nkq n SER 343 Ca 0.03 -0.81 -0.40 0.00 -0.26 0.00 0.00 58.87 57.43 1nkq n SER 343 Cb 0.21 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 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 -2.39 2.35 -0.20 -1.33 1.01 -0.94 -1.94 121.20 117.76 1nkq s ILE 344 Ca 0.30 0.32 -0.16 0.00 0.00 0.00 0.00 60.65 61.11 1nkq s ILE 344 Cb 0.20 -3.19 0.06 0.00 0.01 0.00 0.00 42.46 39.54 1nkq s ILE 344 CO 0.46 0.05 0.52 0.54 0.00 0.00 0.00 174.94 176.51 1nkq s VAL 345 N -1.21 -0.01 0.20 2.92 0.11 -1.26 -4.47 120.40 116.68 1nkq s VAL 345 Ca 0.57 0.02 0.09 0.00 -2.93 0.00 0.00 61.98 59.74 1nkq s VAL 345 Cb -0.41 -0.74 -0.04 0.00 -1.53 0.00 0.00 36.38 33.66 1nkq s VAL 345 CO 0.54 0.01 -0.10 -0.89 -3.33 0.00 0.00 175.10 171.33 1nkq s THR 346 N 0.74 3.12 0.64 5.04 2.01 -0.21 -1.53 115.64 125.43 1nkq s THR 346 Ca -0.04 -1.78 -0.17 0.00 0.31 0.00 0.00 61.69 60.01 1nkq s THR 346 Cb -0.05 -2.57 -0.06 0.00 0.01 0.00 0.00 72.50 69.84 1nkq s THR 346 CO -0.05 -0.18 0.66 -2.65 -0.69 0.00 0.00 174.62 171.71 1nkq n PRO 347 N -0.15 0.53 -0.33 4.92 -0.02 -1.26 -1.58 135.00 137.11 1nkq n PRO 347 Ca -0.10 0.22 0.05 0.00 -2.02 0.00 0.00 63.50 61.65 1nkq n PRO 347 Cb 0.56 -1.89 0.23 0.00 -0.02 0.00 0.00 33.50 32.39 1nkq n PRO 347 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1nkq h LEU 348 N 0.06 0.94 -2.00 2.45 3.38 -1.80 -2.15 115.31 116.19 1nkq h LEU 348 Ca -0.46 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.48 1nkq h LEU 348 Cb 1.37 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 1nkq h LEU 348 CO 0.46 0.57 0.06 -1.54 0.09 0.00 0.00 178.44 178.09 1nkq n SER 349 N -4.52 2.62 -0.04 -0.43 3.41 -1.26 -4.90 113.62 108.49 1nkq n SER 349 Ca 0.16 -2.32 -0.05 0.00 -0.26 0.00 0.00 58.87 56.40 1nkq n SER 349 Cb 0.25 -0.57 -0.02 0.00 -0.26 0.00 0.00 64.21 63.61 1nkq n SER 349 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1nkq n SER 350 N 0.13 1.10 -2.91 4.04 3.41 -0.81 -5.19 113.62 113.39 1nkq n SER 350 Ca 0.11 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 1nkq n SER 350 Cb 0.62 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1nkq n SER 350 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1nkq n PRO 358 N -3.60 1.39 -2.32 4.33 -0.04 -1.26 -4.97 135.00 128.53 1nkq n PRO 358 Ca -0.07 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.98 1nkq n PRO 358 Cb 0.27 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.70 1nkq n PRO 358 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nkq s ALA 359 N -3.94 3.46 -0.39 0.55 0.00 -1.26 -3.18 121.76 117.00 1nkq s ALA 359 Ca 0.00 1.03 0.00 0.00 0.00 0.00 0.00 51.96 52.99 1nkq s ALA 359 Cb 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1nkq s ALA 359 CO 0.00 -0.40 0.00 -1.71 0.00 0.00 0.00 175.76 173.65 1nkq n ASN 360 N 1.82 -5.89 -4.76 0.00 5.15 -1.26 -4.95 115.26 105.37 1nkq n ASN 360 Ca 0.02 0.09 -0.39 0.00 -0.60 0.00 0.00 54.58 53.70 1nkq n ASN 360 Cb 0.44 -3.71 -0.05 0.00 -0.53 0.00 0.00 39.78 35.92 1nkq n ASN 360 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1nkq s SER 361 N -2.14 7.06 0.00 1.20 0.15 -1.19 -4.66 113.70 114.13 1nkq s SER 361 Ca 0.00 1.27 0.12 0.00 0.70 0.00 0.00 55.95 58.03 1nkq s SER 361 Cb 0.00 -2.40 0.27 0.00 -1.71 0.00 0.00 66.02 62.18 1nkq s SER 361 CO 0.00 0.10 1.17 0.35 1.20 0.00 0.00 173.24 176.06 1nkq n THR 362 N 2.62 0.75 -3.30 6.45 -2.24 -1.26 -4.87 114.28 112.42 1nkq n THR 362 Ca -0.06 -0.87 0.03 0.00 -2.27 0.00 0.00 64.05 60.88 1nkq n THR 362 Cb 0.51 0.69 -0.04 0.00 -2.10 0.00 0.00 70.33 69.38 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 -1.00 -0.11 -0.08 4.78 5.36 -1.26 -4.65 117.98 121.02 1nkq s PHE 363 Ca 0.22 0.20 0.12 0.00 -0.96 0.00 0.00 56.93 56.50 1nkq s PHE 363 Cb 0.12 0.07 0.18 0.00 -0.34 0.00 0.00 43.02 43.05 1nkq s PHE 363 CO 0.16 -0.05 1.08 -1.71 -1.46 0.00 0.00 175.22 173.23 1nkq n ASN 364 N 4.24 1.62 0.00 6.13 4.05 -1.26 -5.01 115.26 125.02 1nkq n ASN 364 Ca -0.09 -2.64 0.00 0.00 0.45 0.00 0.00 54.58 52.30 1nkq n ASN 364 Cb 0.56 -0.32 0.00 0.00 1.23 0.00 0.00 39.78 41.25 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 -0.93 0.81 3.79 8.20 0.00 -1.26 -5.01 105.19 110.79 1nkq n GLY 365 Ca 0.10 -1.73 -0.33 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.08 3.56 0.93 0.99 1.43 -1.26 -4.95 118.68 118.30 1nkq s LEU 366 Ca 0.00 1.91 -0.13 0.00 -1.03 0.00 0.00 54.13 54.87 1nkq s LEU 366 Cb 0.00 -4.55 0.15 0.00 0.03 0.00 0.00 46.19 41.82 1nkq s LEU 366 CO 0.00 -1.19 1.16 0.20 0.23 0.00 0.00 176.35 176.75 1nkq s ASN 367 N -2.51 3.36 0.43 2.29 0.01 0.51 -4.85 114.94 114.18 1nkq s ASN 367 Ca 0.66 0.85 0.18 0.00 -0.71 0.00 0.00 52.86 53.84 1nkq s ASN 367 Cb -0.18 -1.34 1.10 0.00 0.41 0.00 0.00 41.25 41.24 1nkq s ASN 367 CO 0.34 -2.63 1.88 -0.08 -1.51 0.00 0.00 177.10 175.10 1nkq h GLU 368 N -1.55 0.37 -0.36 -0.60 4.57 -1.96 0.80 114.58 115.84 1nkq h GLU 368 Ca -0.49 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 1nkq h GLU 368 Cb 1.32 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 1nkq h GLU 368 CO 0.58 0.25 0.00 -0.40 -1.18 0.00 0.00 179.01 178.26 1nkq n ASP 369 N -4.49 2.10 0.00 1.04 3.85 -1.26 -4.90 116.55 112.90 1nkq n ASP 369 Ca 0.18 -1.94 0.00 0.00 -0.71 0.00 0.00 54.79 52.32 1nkq n ASP 369 Cb 0.66 -0.24 0.00 0.00 -1.35 0.00 0.00 41.12 40.19 1nkq n ASP 369 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1nkq n GLY 370 N 1.15 1.35 3.85 6.12 0.00 0.27 -2.08 105.19 115.86 1nkq n GLY 370 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.81 4.45 -0.45 2.61 -1.32 -1.26 -4.60 115.64 112.26 1nkq s THR 371 Ca 0.00 0.84 0.07 0.00 -1.21 0.00 0.00 61.69 61.39 1nkq s THR 371 Cb 0.00 -3.70 0.30 0.00 -1.51 0.00 0.00 72.50 67.60 1nkq s THR 371 CO 0.00 -1.00 1.00 -3.20 -2.21 0.00 0.00 174.62 169.21 1nkq n ASN 372 N -2.73 -2.03 -4.69 8.08 5.15 -1.26 -0.36 115.26 117.42 1nkq n ASN 372 Ca 0.07 -3.50 -0.44 0.00 -0.60 0.00 0.00 54.58 50.10 1nkq n ASN 372 Cb 0.54 1.53 -0.03 0.00 -0.53 0.00 0.00 39.78 41.29 1nkq n ASN 372 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1nkq n PRO 373 N 0.70 2.33 0.00 1.20 -0.04 -1.24 -1.05 135.00 136.90 1nkq n PRO 373 Ca 0.09 0.84 0.00 0.00 -0.04 0.00 0.00 63.50 64.39 1nkq n PRO 373 Cb 0.67 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 1nkq n PRO 373 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nkq n GLY 374 N 3.21 -0.56 4.00 0.55 0.00 -0.61 -4.87 105.19 106.90 1nkq n GLY 374 Ca 0.15 -0.97 -0.22 0.00 0.00 0.00 0.00 46.02 44.98 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 1.99 -0.18 1.61 0.04 -1.26 -4.48 135.00 130.71 1nkq s PRO 375 Ca 0.00 -1.14 -0.22 0.00 0.04 0.00 0.00 61.00 59.69 1nkq s PRO 375 Cb 0.00 -2.43 -0.02 0.00 0.04 0.00 0.00 34.50 32.09 1nkq s PRO 375 CO 0.00 -1.17 0.67 0.42 0.04 0.00 0.00 177.00 176.96 1nkq s ILE 376 N -2.96 5.00 -0.54 0.56 -1.09 0.55 -4.91 121.20 117.81 1nkq s ILE 376 Ca 0.63 1.27 -0.18 0.00 -2.23 0.00 0.00 60.65 60.15 1nkq s ILE 376 Cb -0.07 -3.98 0.09 0.00 -1.58 0.00 0.00 42.46 36.92 1nkq s ILE 376 CO 0.42 0.11 0.59 -0.36 -1.23 0.00 0.00 174.94 174.47 1nkq s PHE 377 N 1.86 3.10 -0.40 3.97 0.40 -1.26 -0.81 117.98 124.84 1nkq s PHE 377 Ca 0.31 -0.88 -0.29 0.00 -0.60 0.00 0.00 56.93 55.46 1nkq s PHE 377 Cb -0.16 -3.68 0.02 0.00 0.51 0.00 0.00 43.02 39.71 1nkq s PHE 377 CO 0.11 -1.08 1.16 0.42 0.70 0.00 0.00 175.22 176.53 1nkq s ILE 378 N 2.30 4.28 0.51 0.64 -1.09 0.04 -4.59 121.20 123.29 1nkq s ILE 378 Ca 0.10 1.39 -0.20 0.00 -2.23 0.00 0.00 60.65 59.70 1nkq s ILE 378 Cb -0.24 -4.45 -0.07 0.00 -1.58 0.00 0.00 42.46 36.12 1nkq s ILE 378 CO 0.07 -0.74 1.09 -2.16 -1.23 0.00 0.00 174.94 171.97 1nkq s PRO 379 N 4.18 3.60 0.35 2.79 0.04 -1.26 -1.14 135.00 143.55 1nkq s PRO 379 Ca 0.49 1.50 -0.28 0.00 0.04 0.00 0.00 61.00 62.75 1nkq s PRO 379 Cb -0.11 -2.07 -0.12 0.00 0.04 0.00 0.00 34.50 32.25 1nkq s PRO 379 CO 0.25 -0.63 1.42 0.54 0.04 0.00 0.00 177.00 178.63 1nkq n ARG 380 N -1.09 2.44 -0.15 4.56 5.12 -1.26 -2.34 116.66 123.94 1nkq n ARG 380 Ca 0.10 0.86 0.00 0.00 -1.93 0.00 0.00 57.85 56.88 1nkq n ARG 380 Cb 0.52 -2.53 0.00 0.00 -1.16 0.00 0.00 32.46 29.28 1nkq n ARG 380 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1nkq n GLY 381 N 0.86 2.45 3.83 -0.13 0.00 -1.26 -0.17 105.19 110.77 1nkq n GLY 381 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.97 5.41 -0.42 1.61 1.01 -0.99 -4.65 120.40 119.40 1nkq s VAL 382 Ca 0.00 0.31 -0.15 0.00 0.00 0.00 0.00 61.98 62.15 1nkq s VAL 382 Cb 0.00 -3.47 0.03 0.00 0.00 0.00 0.00 36.38 32.94 1nkq s VAL 382 CO 0.00 0.56 0.31 -0.54 0.00 0.00 0.00 175.10 175.43 1nkq s LYS 383 N -0.62 2.95 -0.11 2.72 1.02 -1.26 -4.81 119.74 119.63 1nkq s LYS 383 Ca 0.15 -1.11 -0.14 0.00 0.02 0.00 0.00 55.97 54.89 1nkq s LYS 383 Cb -0.12 -3.99 -0.05 0.00 -0.52 0.00 0.00 37.83 33.15 1nkq s LYS 383 CO 0.04 -0.81 0.34 0.08 -0.92 0.00 0.00 175.35 174.07 1nkq s VAL 384 N 1.66 5.23 0.00 3.17 1.01 -1.26 -0.60 120.40 129.61 1nkq s VAL 384 Ca 0.05 0.66 0.04 0.00 0.00 0.00 0.00 61.98 62.72 1nkq s VAL 384 Cb -0.20 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 1nkq s VAL 384 CO 0.09 0.46 -0.11 -1.00 0.00 0.00 0.00 175.10 174.54 1nkq s HIS 385 N -0.09 2.78 0.12 5.22 3.76 -0.26 0.63 115.29 127.45 1nkq s HIS 385 Ca 0.20 -0.11 0.01 0.00 -0.15 0.00 0.00 55.06 55.01 1nkq s HIS 385 Cb -0.14 -1.57 -0.04 0.00 1.11 0.00 0.00 32.58 31.94 1nkq s HIS 385 CO 0.07 0.31 0.26 -3.38 -0.85 0.00 0.00 174.74 171.16 1nkq s HIS 386 N -0.94 3.50 -0.30 1.40 -3.43 -0.50 -1.74 115.29 113.28 1nkq s HIS 386 Ca 0.16 0.19 0.01 0.00 -0.80 0.00 0.00 55.06 54.62 1nkq s HIS 386 Cb -0.11 -1.72 0.15 0.00 -1.43 0.00 0.00 32.58 29.46 1nkq s HIS 386 CO 0.06 0.54 0.34 -1.21 -2.00 0.00 0.00 174.74 172.46 1nkq s GLU 387 N -2.94 0.39 0.24 -0.38 2.02 -1.26 -3.99 118.70 112.78 1nkq s GLU 387 Ca 0.35 -0.14 -0.30 0.00 0.02 0.00 0.00 54.97 54.91 1nkq s GLU 387 Cb -0.12 -0.55 -0.09 0.00 0.10 0.00 0.00 34.13 33.47 1nkq s GLU 387 CO 0.28 -1.05 1.20 -1.50 0.02 0.00 0.00 175.26 174.21 1nkq s ILE 388 N 2.31 3.35 0.05 -1.63 1.10 -1.26 -0.47 121.20 124.65 1nkq s ILE 388 Ca 0.10 1.24 -0.15 0.00 -0.51 0.00 0.00 60.65 61.33 1nkq s ILE 388 Cb -0.13 -3.79 0.03 0.00 0.15 0.00 0.00 42.46 38.71 1nkq s ILE 388 CO -0.29 0.25 0.35 -1.61 -2.11 0.00 0.00 174.94 171.52 1nkq s GLU 389 N -0.90 0.86 0.05 3.50 2.02 0.18 -4.24 118.70 120.17 1nkq s GLU 389 Ca 0.50 -0.46 -0.22 0.00 0.02 0.00 0.00 54.97 54.80 1nkq s GLU 389 Cb -0.34 0.38 -0.06 0.00 0.10 0.00 0.00 34.13 34.21 1nkq s GLU 389 CO 0.41 -0.28 0.66 -1.17 0.02 0.00 0.00 175.26 174.90 1nkq s LEU 390 N -2.07 4.47 -0.06 1.80 2.96 -1.26 -1.14 118.68 123.39 1nkq s LEU 390 Ca -0.05 1.33 0.04 0.00 -0.22 0.00 0.00 54.13 55.23 1nkq s LEU 390 Cb -0.01 -3.05 -0.02 0.00 0.50 0.00 0.00 46.19 43.61 1nkq s LEU 390 CO -0.03 0.13 -0.19 0.00 -1.32 0.00 0.00 176.35 174.93 1nkq s ALA 391 N -0.46 2.44 -0.14 5.97 0.00 -0.04 -1.98 121.76 127.55 1nkq s ALA 391 Ca 0.33 -1.01 -0.07 0.00 0.00 0.00 0.00 51.96 51.22 1nkq s ALA 391 Cb -0.20 -0.85 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 1nkq s ALA 391 CO 0.20 0.47 0.10 -0.51 0.00 0.00 0.00 175.76 176.03 1nkq s LEU 392 N -0.39 4.15 -0.58 0.00 1.43 0.19 -1.51 118.68 121.96 1nkq s LEU 392 Ca 0.04 0.32 -0.09 0.00 -1.03 0.00 0.00 54.13 53.37 1nkq s LEU 392 Cb -0.12 -2.02 0.15 0.00 0.03 0.00 0.00 46.19 44.23 1nkq s LEU 392 CO 0.02 0.33 0.46 -0.63 0.23 0.00 0.00 176.35 176.76 1nkq s ILE 393 N -0.55 4.43 0.35 -0.59 -1.09 -0.52 -1.20 121.20 122.03 1nkq s ILE 393 Ca 0.12 -2.18 -0.28 0.00 -2.23 0.00 0.00 60.65 56.08 1nkq s ILE 393 Cb -0.12 -3.87 -0.11 0.00 -1.58 0.00 0.00 42.46 36.78 1nkq s ILE 393 CO 0.02 -0.86 1.47 0.52 -1.23 0.00 0.00 174.94 174.87 1nkq n VAL 394 N 4.42 1.79 -0.01 2.92 0.31 -0.44 -0.29 118.33 127.03 1nkq n VAL 394 Ca -0.00 -0.45 0.00 0.00 -0.01 0.00 0.00 64.34 63.88 1nkq n VAL 394 Cb 0.41 -1.89 0.00 0.00 -0.91 0.00 0.00 33.84 31.46 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 0.87 0.54 -4.45 4.52 3.41 0.14 -0.62 113.62 118.03 1nkq n SER 395 Ca 0.03 -0.77 -0.23 0.00 -0.26 0.00 0.00 58.87 57.65 1nkq n SER 395 Cb 0.38 0.45 -0.10 0.00 -0.26 0.00 0.00 64.21 64.67 1nkq n SER 395 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1nkq s LYS 396 N -0.45 1.71 -0.17 4.33 1.02 -1.23 -4.57 119.74 120.38 1nkq s LYS 396 Ca 0.00 -1.96 -0.22 0.00 0.02 0.00 0.00 55.97 53.81 1nkq s LYS 396 Cb 0.00 -0.93 -0.02 0.00 -0.52 0.00 0.00 37.83 36.36 1nkq s LYS 396 CO 0.00 -0.20 0.69 -1.01 -0.92 0.00 0.00 175.35 173.91 1nkq s HIS 397 N -3.23 3.42 -0.23 3.18 3.76 -1.26 -3.32 115.29 117.59 1nkq s HIS 397 Ca 0.35 1.05 0.01 0.00 -0.15 0.00 0.00 55.06 56.33 1nkq s HIS 397 Cb 0.08 -2.85 0.06 0.00 1.11 0.00 0.00 32.58 30.98 1nkq s HIS 397 CO 0.15 -0.15 -0.07 -0.51 -0.85 0.00 0.00 174.74 173.31 1nkq s LEU 398 N 1.80 2.69 -0.13 0.89 1.43 -0.15 -4.99 118.68 120.21 1nkq s LEU 398 Ca 0.32 -1.18 -0.03 0.00 -1.03 0.00 0.00 54.13 52.22 1nkq s LEU 398 Cb -0.16 -1.26 0.05 0.00 0.03 0.00 0.00 46.19 44.85 1nkq s LEU 398 CO 0.12 -0.21 0.03 -0.55 0.23 0.00 0.00 176.35 175.97 1nkq s SER 399 N 1.34 2.18 -1.33 2.29 0.15 -1.26 -0.74 113.70 116.33 1nkq s SER 399 Ca -0.06 -0.44 -0.03 0.00 0.70 0.00 0.00 55.95 56.12 1nkq s SER 399 Cb -0.19 -0.45 0.02 0.00 -1.71 0.00 0.00 66.02 63.69 1nkq s SER 399 CO -0.06 -0.27 0.86 0.59 1.20 0.00 0.00 173.24 175.56 1nkq n ASN 400 N 5.14 -2.51 -4.72 5.45 3.02 -0.19 -4.93 115.26 116.53 1nkq n ASN 400 Ca -0.07 -0.74 -0.42 0.00 -0.03 0.00 0.00 54.58 53.31 1nkq n ASN 400 Cb 0.49 -4.35 -0.03 0.00 -0.61 0.00 0.00 39.78 35.27 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 -3.50 3.59 0.11 2.41 1.01 -1.26 -4.93 120.40 117.83 1nkq s VAL 401 Ca 0.18 1.15 -0.06 0.00 0.00 0.00 0.00 61.98 63.25 1nkq s VAL 401 Cb -0.09 -3.74 -0.22 0.00 0.00 0.00 0.00 36.38 32.34 1nkq s VAL 401 CO 0.79 0.09 1.24 0.71 0.00 0.00 0.00 175.10 177.93 1nkq h THR 402 N 4.33 1.41 -2.44 3.92 1.35 -1.91 -3.44 112.91 116.12 1nkq h THR 402 Ca -0.42 -2.60 0.13 0.00 -0.55 0.00 0.00 66.41 62.97 1nkq h THR 402 Cb 1.21 2.59 -0.02 0.00 -1.73 0.00 0.00 68.15 70.19 1nkq h THR 402 CO 0.84 0.77 0.51 2.29 -0.25 0.00 0.00 175.52 179.68 1nkq n LYS 403 N -3.70 0.58 -3.85 4.72 2.85 -1.26 -5.06 118.16 112.44 1nkq n LYS 403 Ca -0.08 -1.31 -0.09 0.00 -1.05 0.00 0.00 58.31 55.78 1nkq n LYS 403 Cb 0.90 1.77 -0.07 0.00 -0.65 0.00 0.00 35.03 36.98 1nkq n LYS 403 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1nkq s LYS 405 N -2.05 0.93 0.28 -1.58 1.02 -1.26 -5.10 119.74 111.97 1nkq s LYS 405 Ca 0.20 -0.97 0.01 0.00 0.02 0.00 0.00 55.97 55.23 1nkq s LYS 405 Cb -0.03 0.36 0.66 0.00 -0.52 0.00 0.00 37.83 38.30 1nkq s LYS 405 CO 0.05 -0.31 1.68 -1.35 -0.92 0.00 0.00 175.35 174.50 1nkq h PRO 406 N 2.67 0.31 0.00 -1.68 0.11 -1.96 -0.26 132.00 131.20 1nkq h PRO 406 Ca -0.34 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.75 1nkq h PRO 406 Cb 1.21 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1nkq h PRO 406 CO 0.54 0.21 -0.02 0.93 -0.21 0.00 0.00 178.00 179.45 1nkq h GLU 407 N 0.32 0.00 0.00 1.05 3.07 -1.68 -2.81 114.58 114.54 1nkq h GLU 407 Ca 0.52 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.38 1nkq h GLU 407 Cb 0.98 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.89 1nkq h GLU 407 CO -0.55 0.02 0.00 0.93 -1.40 0.00 0.00 179.01 178.00 1nkq h GLU 408 N 0.00 0.00 -0.57 2.33 5.08 -1.34 -3.30 114.58 116.77 1nkq h GLU 408 Ca -0.00 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1nkq h GLU 408 Cb 0.04 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1nkq h GLU 408 CO 0.00 0.00 0.32 0.28 -1.00 0.00 0.00 179.01 178.61 1nkq h VAL 409 N 0.00 1.00 -0.93 3.13 2.07 -1.57 -1.91 116.25 118.04 1nkq h VAL 409 Ca 0.00 -0.21 0.15 0.00 0.82 0.00 0.00 66.70 67.45 1nkq h VAL 409 Cb 0.93 0.33 -0.08 0.00 -1.52 0.00 0.00 31.29 30.95 1nkq h VAL 409 CO 0.00 0.11 0.59 0.22 0.02 0.00 0.00 177.57 178.52 1nkq h TYR 410 N 0.62 0.91 -0.00 1.57 3.20 -1.76 0.46 116.97 121.96 1nkq h TYR 410 Ca 0.25 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.14 1nkq h TYR 410 Cb 0.11 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.09 1nkq h TYR 410 CO -0.08 0.32 -0.11 -0.25 -1.64 0.00 0.00 178.16 176.40 1nkq n ASP 411 N -4.59 0.22 -0.42 -2.11 8.00 -0.77 -3.63 116.55 113.26 1nkq n ASP 411 Ca 0.18 -0.05 0.10 0.00 0.71 0.00 0.00 54.79 55.73 1nkq n ASP 411 Cb 0.46 -0.21 -0.02 0.00 -0.02 0.00 0.00 41.12 41.33 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 -1.30 1.83 -4.41 -2.24 7.64 0.12 -4.77 113.62 110.49 1nkq n SER 412 Ca 0.10 -1.41 -0.21 0.00 1.01 0.00 0.00 58.87 58.36 1nkq n SER 412 Cb 0.30 0.54 -0.10 0.00 -1.01 0.00 0.00 64.21 63.94 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 -2.40 1.73 -0.38 0.44 -4.36 -1.03 0.25 121.20 115.46 1nkq s ILE 413 Ca 0.16 -2.17 0.14 0.00 -0.26 0.00 0.00 60.65 58.52 1nkq s ILE 413 Cb 0.17 -2.32 -0.18 0.00 1.25 0.00 0.00 42.46 41.38 1nkq s ILE 413 CO 0.56 -0.40 0.47 -1.54 0.24 0.00 0.00 174.94 174.27 1nkq n SER 414 N -0.53 1.13 0.00 4.36 3.41 0.61 -4.64 113.62 117.96 1nkq n SER 414 Ca -0.06 -0.46 0.00 0.00 -0.26 0.00 0.00 58.87 58.08 1nkq n SER 414 Cb 0.62 1.28 0.00 0.00 -0.26 0.00 0.00 64.21 65.86 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 1.49 -1.61 3.60 5.00 0.00 -1.25 -1.95 105.19 110.47 1nkq n GLY 415 Ca 0.00 -1.13 -0.28 0.00 0.00 0.00 0.00 46.02 44.61 1nkq n GLY 415 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nkq s VAL 416 N -2.74 0.86 0.14 1.61 -7.23 -0.35 -1.44 120.40 111.25 1nkq s VAL 416 Ca 0.00 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 57.97 1nkq s VAL 416 Cb 0.00 -2.31 0.06 0.00 0.56 0.00 0.00 36.38 34.68 1nkq s VAL 416 CO 0.00 0.00 0.52 0.00 -0.31 0.00 0.00 175.10 175.31 1nkq s ALA 417 N -3.08 -1.32 -0.27 1.32 0.00 -0.57 0.16 121.76 118.02 1nkq s ALA 417 Ca 0.18 0.27 -0.11 0.00 0.00 0.00 0.00 51.96 52.31 1nkq s ALA 417 Cb 0.03 0.79 -0.05 0.00 0.00 0.00 0.00 23.12 23.89 1nkq s ALA 417 CO 0.11 -0.71 0.17 -1.17 0.00 0.00 0.00 175.76 174.16 1nkq s LEU 418 N -2.74 4.02 0.11 0.00 2.96 -1.26 -0.86 118.68 120.90 1nkq s LEU 418 Ca 0.02 0.02 0.04 0.00 -0.22 0.00 0.00 54.13 53.99 1nkq s LEU 418 Cb 0.00 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 1nkq s LEU 418 CO -0.12 -0.01 -0.11 0.00 -1.32 0.00 0.00 176.35 174.78 1nkq s ALA 419 N 1.53 1.24 -0.18 5.97 0.00 -0.29 -1.05 121.76 128.99 1nkq s ALA 419 Ca 0.07 -1.23 -0.02 0.00 0.00 0.00 0.00 51.96 50.78 1nkq s ALA 419 Cb -0.15 -0.00 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 1nkq s ALA 419 CO 0.09 0.00 -0.10 -0.51 0.00 0.00 0.00 175.76 175.24 1nkq s LEU 420 N -2.48 2.75 -1.15 0.00 1.43 0.06 0.52 118.68 119.81 1nkq s LEU 420 Ca 0.07 -0.39 -0.08 0.00 -1.03 0.00 0.00 54.13 52.71 1nkq s LEU 420 Cb -0.03 -1.66 0.26 0.00 0.03 0.00 0.00 46.19 44.78 1nkq s LEU 420 CO 0.01 0.06 1.44 -0.67 0.23 0.00 0.00 176.35 177.42 1nkq n ASP 421 N 4.22 5.76 -4.74 2.29 2.03 0.38 -3.22 116.55 123.26 1nkq n ASP 421 Ca -0.18 -3.19 -0.42 0.00 0.52 0.00 0.00 54.79 51.52 1nkq n ASP 421 Cb 0.52 -1.38 -0.02 0.00 -0.72 0.00 0.00 41.12 39.51 1nkq n ASP 421 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1nkq n LEU 422 N 2.79 4.24 -4.08 -2.67 4.77 -0.71 -4.07 117.00 117.27 1nkq n LEU 422 Ca 0.29 1.12 -0.26 0.00 -0.03 0.00 0.00 56.01 57.13 1nkq n LEU 422 Cb 0.37 -1.59 -0.16 0.00 -2.33 0.00 0.00 43.42 39.71 1nkq n LEU 422 CO 0.65 0.17 -0.49 -0.89 -1.33 0.00 0.00 177.39 175.50 1nkq s THR 423 N 0.39 1.32 -1.06 -5.08 2.01 -0.71 -4.69 115.64 107.82 1nkq s THR 423 Ca 0.68 -0.61 -0.21 0.00 0.31 0.00 0.00 61.69 61.86 1nkq s THR 423 Cb -0.50 -1.17 0.08 0.00 0.01 0.00 0.00 72.50 70.92 1nkq s THR 423 CO 0.43 0.39 1.42 0.00 -0.69 0.00 0.00 174.62 176.17 1nkq s ALA 424 N 0.42 3.05 0.11 7.40 0.00 0.12 -1.10 121.76 131.76 1nkq s ALA 424 Ca -0.12 -2.56 -0.28 0.00 0.00 0.00 0.00 51.96 49.00 1nkq s ALA 424 Cb -0.14 -4.41 -0.10 0.00 0.00 0.00 0.00 23.12 18.47 1nkq s ALA 424 CO 0.04 -3.36 1.46 0.00 0.00 0.00 0.00 175.76 173.90 1nkq h ARG 425 N 9.03 -0.36 -0.02 0.00 -0.00 -1.16 0.19 114.38 122.06 1nkq h ARG 425 Ca 0.24 0.02 -0.02 0.00 -0.50 0.00 0.00 59.98 59.72 1nkq h ARG 425 Cb 0.98 0.08 -0.00 0.00 0.00 0.00 0.00 29.97 31.03 1nkq h ARG 425 CO 1.35 -0.24 -0.11 -2.95 0.00 0.00 0.00 179.97 178.02 1nkq h ASN 426 N -0.37 0.02 -0.23 7.04 -1.07 -1.91 0.29 115.58 119.36 1nkq h ASN 426 Ca 0.05 -0.00 -0.18 0.00 0.07 0.00 0.00 56.30 56.24 1nkq h ASN 426 Cb 0.52 -0.01 -0.00 0.00 -2.07 0.00 0.00 38.32 36.76 1nkq h ASN 426 CO -0.47 0.13 -0.55 0.58 0.07 0.00 0.00 177.43 177.19 1nkq h VAL 427 N 0.03 1.28 -0.19 6.14 2.07 -1.76 -2.65 116.25 121.17 1nkq h VAL 427 Ca 0.00 -1.74 -0.14 0.00 0.82 0.00 0.00 66.70 65.64 1nkq h VAL 427 Cb 0.20 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1nkq h VAL 427 CO 0.01 0.56 -0.49 -0.61 0.02 0.00 0.00 177.57 177.07 1nkq h GLN 428 N 0.63 0.50 -0.34 1.57 4.15 0.05 -1.79 115.11 119.88 1nkq h GLN 428 Ca 0.01 -0.29 0.03 0.00 0.77 0.00 0.00 58.65 59.18 1nkq h GLN 428 Cb 1.15 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.83 1nkq h GLN 428 CO 0.12 0.88 0.14 -0.44 -1.93 0.00 0.00 178.83 177.60 1nkq h ASP 429 N 0.40 0.19 0.14 -0.69 5.19 -0.37 0.17 116.42 121.45 1nkq h ASP 429 Ca 0.02 0.03 -0.08 0.00 -0.62 0.00 0.00 57.03 56.37 1nkq h ASP 429 Cb 1.00 -0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.50 1nkq h ASP 429 CO 0.09 0.15 -0.29 -0.08 -3.12 0.00 0.00 179.24 175.99 1nkq h GLU 430 N 0.31 0.24 -0.21 3.56 4.81 -1.33 -1.52 114.58 120.43 1nkq h GLU 430 Ca 0.15 -0.09 -0.11 0.00 -0.13 0.00 0.00 59.36 59.18 1nkq h GLU 430 Cb 0.10 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 1nkq h GLU 430 CO -0.13 0.51 -0.30 0.00 -0.73 0.00 0.00 179.01 178.36 1nkq h ALA 431 N 1.49 0.32 -0.87 2.92 0.00 -0.40 -2.29 119.26 120.44 1nkq h ALA 431 Ca 0.03 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1nkq h ALA 431 Cb 0.62 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1nkq h ALA 431 CO 0.05 0.34 0.46 0.87 0.00 0.00 0.00 179.25 180.96 1nkq h LYS 432 N 0.26 1.22 -0.36 0.00 1.57 -0.53 0.33 116.57 119.06 1nkq h LYS 432 Ca 0.02 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1nkq h LYS 432 Cb 0.88 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 1nkq h LYS 432 CO 0.07 0.91 0.22 -0.22 -0.57 0.00 0.00 179.45 179.86 1nkq h LYS 433 N 1.22 0.49 -0.01 3.15 3.64 -1.19 -2.69 116.57 121.19 1nkq h LYS 433 Ca 0.30 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1nkq h LYS 433 Cb 0.05 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1nkq h LYS 433 CO -0.05 0.37 -0.15 1.63 -2.27 0.00 0.00 179.45 178.98 1nkq n LYS 434 N -4.80 0.96 -2.98 1.90 5.02 -0.87 -4.93 118.16 112.46 1nkq n LYS 434 Ca -0.00 -0.49 -0.16 0.00 -2.02 0.00 0.00 58.31 55.64 1nkq n LYS 434 Cb 0.05 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 33.61 1nkq n LYS 434 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nkq n GLY 435 N 1.28 -0.12 3.93 0.72 0.00 0.88 -5.02 105.19 106.86 1nkq n GLY 435 Ca 0.15 -0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 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 -5.00 3.85 0.46 0.99 1.43 0.42 -5.02 118.68 115.81 1nkq s LEU 436 Ca 0.29 -0.29 -0.23 0.00 -1.03 0.00 0.00 54.13 52.87 1nkq s LEU 436 Cb -0.13 -2.53 -0.09 0.00 0.03 0.00 0.00 46.19 43.47 1nkq s LEU 436 CO 0.36 -0.35 1.01 -2.65 0.23 0.00 0.00 176.35 174.95 1nkq n PRO 437 N -1.49 1.30 0.10 1.29 -0.02 -1.26 -4.55 135.00 130.37 1nkq n PRO 437 Ca -0.02 0.47 0.12 0.00 -2.02 0.00 0.00 63.50 62.05 1nkq n PRO 437 Cb 0.59 -2.09 0.17 0.00 -0.02 0.00 0.00 33.50 32.15 1nkq n PRO 437 CO 0.00 0.00 0.00 -1.49 1.98 0.00 0.00 175.50 175.99 1nkq h TRP 438 N 1.36 0.00 -0.51 6.00 4.06 -1.97 -3.42 115.95 121.47 1nkq h TRP 438 Ca -0.46 0.00 0.05 0.00 2.06 0.00 0.00 58.89 60.54 1nkq h TRP 438 Cb 1.34 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 29.44 1nkq h TRP 438 CO 0.42 0.00 -0.30 2.41 -3.56 0.00 0.00 178.44 177.42 1nkq n THR 439 N -2.38 -0.34 -0.11 1.49 -1.04 -1.26 -1.36 114.28 109.28 1nkq n THR 439 Ca 0.03 1.33 -0.09 0.00 -2.04 0.00 0.00 64.05 63.28 1nkq n THR 439 Cb 0.47 -1.65 -0.01 0.00 -1.82 0.00 0.00 70.33 67.32 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 1.11 0.00 12.58 1.08 -1.95 0.38 117.51 130.70 1nkq h ILE 440 Ca 0.08 -0.23 0.00 0.00 -0.39 0.00 0.00 64.86 64.32 1nkq h ILE 440 Cb 0.21 0.63 0.00 0.00 -3.07 0.00 0.00 36.82 34.59 1nkq h ILE 440 CO -0.48 0.11 0.00 0.77 -0.69 0.00 0.00 178.15 177.86 1nkq h SER 441 N 0.46 0.00 0.00 1.72 4.64 -1.53 -2.54 113.55 116.30 1nkq h SER 441 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1nkq h SER 441 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1nkq h SER 441 CO -0.03 0.00 -0.63 0.29 -0.87 0.00 0.00 176.83 175.59 1nkq n LYS 442 N -2.90 3.15 -0.10 4.77 4.76 -0.87 0.15 118.16 127.12 1nkq n LYS 442 Ca -0.01 -0.01 0.05 0.00 -2.87 0.00 0.00 58.31 55.46 1nkq n LYS 442 Cb 0.14 -1.02 0.10 0.00 -1.84 0.00 0.00 35.03 32.41 1nkq n LYS 442 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nkq n GLY 443 N 1.34 1.58 3.55 0.72 0.00 0.13 -4.82 105.19 107.69 1nkq n GLY 443 Ca 0.01 -0.31 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 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 0.45 0.08 -1.60 1.61 3.01 -1.20 -4.59 117.46 115.22 1nkq n PHE 444 Ca 0.09 0.40 -0.40 0.00 1.01 0.00 0.00 57.45 58.55 1nkq n PHE 444 Cb 0.35 -2.03 0.03 0.00 -0.01 0.00 0.00 39.48 37.82 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 -0.74 0.92 0.00 4.37 8.00 -1.26 -1.04 116.55 126.80 1nkq n ASP 445 Ca 0.12 0.92 0.00 0.00 0.71 0.00 0.00 54.79 56.54 1nkq n ASP 445 Cb 0.49 -1.36 0.00 0.00 -0.02 0.00 0.00 41.12 40.23 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 -1.09 0.00 -0.95 -3.53 -2.24 -0.82 -4.56 114.28 101.09 1nkq n THR 446 Ca 0.11 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.67 1nkq n THR 446 Cb 0.43 -0.62 -0.08 0.00 -2.10 0.00 0.00 70.33 67.96 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 -2.21 1.08 -3.64 4.78 3.01 -0.21 -4.77 117.46 115.50 1nkq n PHE 447 Ca 0.00 -1.99 -0.03 0.00 1.01 0.00 0.00 57.45 56.45 1nkq n PHE 447 Cb 0.27 -1.80 -0.07 0.00 -0.01 0.00 0.00 39.48 37.87 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 2.11 0.31 0.04 -1.08 0.02 -1.20 -1.73 135.00 133.46 1nkq s PRO 449 Ca 0.56 0.48 -0.05 0.00 0.02 0.00 0.00 61.00 62.00 1nkq s PRO 449 Cb 0.20 0.09 -0.01 0.00 0.02 0.00 0.00 34.50 34.79 1nkq s PRO 449 CO -0.03 -0.06 0.09 -1.50 -0.33 0.00 0.00 177.00 175.18 1nkq s ILE 450 N 0.94 0.13 0.59 2.83 2.07 -0.59 -0.76 121.20 126.42 1nkq s ILE 450 Ca -0.05 -1.10 0.01 0.00 -1.41 0.00 0.00 60.65 58.10 1nkq s ILE 450 Cb -0.04 -0.88 0.11 0.00 0.13 0.00 0.00 42.46 41.78 1nkq s ILE 450 CO -0.12 -0.61 0.81 -1.54 -1.91 0.00 0.00 174.94 171.57 1nkq n SER 451 N 0.79 1.22 -4.78 4.50 3.41 -0.21 -4.49 113.62 114.05 1nkq n SER 451 Ca -0.19 -2.00 -0.31 0.00 -0.26 0.00 0.00 58.87 56.12 1nkq n SER 451 Cb 0.58 -0.51 0.09 0.00 -0.26 0.00 0.00 64.21 64.11 1nkq n SER 451 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nkq s ALA 452 N -3.03 2.25 0.44 7.33 0.00 -1.26 -4.74 121.76 122.75 1nkq s ALA 452 Ca 0.54 0.06 -0.22 0.00 0.00 0.00 0.00 51.96 52.35 1nkq s ALA 452 Cb -0.03 -3.20 -0.09 0.00 0.00 0.00 0.00 23.12 19.79 1nkq s ALA 452 CO 0.36 -1.71 1.01 -1.50 0.00 0.00 0.00 175.76 173.92 1nkq s ILE 453 N -3.00 3.99 -0.38 0.00 2.07 -0.41 -4.57 121.20 118.90 1nkq s ILE 453 Ca 0.61 1.32 -0.05 0.00 -1.41 0.00 0.00 60.65 61.12 1nkq s ILE 453 Cb -0.16 -3.58 0.08 0.00 0.13 0.00 0.00 42.46 38.93 1nkq s ILE 453 CO 0.56 -0.19 0.16 -0.69 -1.91 0.00 0.00 174.94 172.87 1nkq s VAL 454 N -1.95 3.54 0.42 4.00 1.01 0.12 -4.76 120.40 122.79 1nkq s VAL 454 Ca 0.63 -1.61 -0.26 0.00 0.00 0.00 0.00 61.98 60.73 1nkq s VAL 454 Cb -0.15 -3.22 -0.09 0.00 0.00 0.00 0.00 36.38 32.92 1nkq s VAL 454 CO 0.20 -0.45 1.45 -1.20 0.00 0.00 0.00 175.10 175.09 1nkq n SER 455 N 4.72 3.46 -0.18 3.32 7.64 -1.26 -1.21 113.62 130.11 1nkq n SER 455 Ca -0.08 1.16 0.08 0.00 1.01 0.00 0.00 58.87 61.04 1nkq n SER 455 Cb 0.43 -1.61 0.38 0.00 -1.01 0.00 0.00 64.21 62.40 1nkq n SER 455 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 1nkq h ARG 456 N 2.51 0.67 -1.03 1.43 0.11 -1.74 -0.07 114.38 116.26 1nkq h ARG 456 Ca -0.51 -0.04 0.30 0.00 0.10 0.00 0.00 59.98 59.83 1nkq h ARG 456 Cb 1.26 -0.15 -0.04 0.00 1.11 0.00 0.00 29.97 32.15 1nkq h ARG 456 CO 0.62 0.44 0.76 1.05 0.10 0.00 0.00 179.97 182.94 1nkq h GLU 457 N 0.69 0.00 0.00 0.08 4.11 -1.90 0.88 114.58 118.44 1nkq h GLU 457 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.76 1nkq h GLU 457 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1nkq h GLU 457 CO -0.11 0.00 0.00 0.87 0.07 0.00 0.00 179.01 179.84 1nkq h LYS 458 N 0.00 0.00 0.00 1.06 1.57 -1.36 -3.08 116.57 114.77 1nkq h LYS 458 Ca 0.49 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 59.10 1nkq h LYS 458 Cb 2.00 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 33.95 1nkq h LYS 458 CO -0.01 0.00 -0.99 1.97 -0.57 0.00 0.00 179.45 179.86 1nkq n PHE 459 N -2.58 0.00 0.29 -1.35 1.16 0.29 -4.86 117.46 110.42 1nkq n PHE 459 Ca -0.00 -0.47 0.16 0.00 -1.87 0.00 0.00 57.45 55.27 1nkq n PHE 459 Cb 0.15 -0.13 0.90 0.00 -1.61 0.00 0.00 39.48 38.79 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 0.91 0.00 0.28 5.98 4.64 -1.09 -1.38 113.55 122.90 1nkq h SER 460 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1nkq h SER 460 Cb 1.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.95 1nkq h SER 460 CO 0.08 0.04 0.00 -0.24 -0.87 0.00 0.00 176.83 175.85 1nkq n SER 461 N -3.61 0.39 -0.53 4.97 2.88 -1.26 -1.06 113.62 115.40 1nkq n SER 461 Ca -0.02 0.64 0.07 0.00 -1.33 0.00 0.00 58.87 58.23 1nkq n SER 461 Cb 0.14 -0.71 0.19 0.00 -0.75 0.00 0.00 64.21 63.09 1nkq n SER 461 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1nkq n TYR 462 N -1.98 0.41 -0.30 0.66 4.02 -0.52 -4.85 117.16 114.60 1nkq n TYR 462 Ca 0.01 -1.12 0.19 0.00 -0.01 0.00 0.00 57.90 56.97 1nkq n TYR 462 Cb 0.10 -0.26 0.37 0.00 -0.02 0.00 0.00 39.34 39.53 1nkq n TYR 462 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1nkq n LYS 463 N -1.09 -0.07 0.22 -0.72 4.81 -0.22 -1.53 118.16 119.56 1nkq n LYS 463 Ca 0.20 1.31 0.08 0.00 -0.87 0.00 0.00 58.31 59.04 1nkq n LYS 463 Cb 0.77 -2.18 0.48 0.00 0.02 0.00 0.00 35.03 34.12 1nkq n LYS 463 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1nkq h SER 464 N 0.00 0.00 -1.77 3.14 4.64 -1.86 -3.42 113.55 114.27 1nkq h SER 464 Ca 0.63 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 62.06 1nkq h SER 464 Cb 1.47 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.35 1nkq h SER 464 CO -0.79 0.27 0.01 0.21 -0.87 0.00 0.00 176.83 175.65 1nkq s ASN 465 N -6.38 -0.94 0.00 4.97 3.84 -0.58 -2.06 114.94 113.79 1nkq s ASN 465 Ca -0.01 1.31 0.15 0.00 0.21 0.00 0.00 52.86 54.51 1nkq s ASN 465 Cb 0.12 2.02 0.10 0.00 -0.55 0.00 0.00 41.25 42.94 1nkq s ASN 465 CO 0.65 -0.18 0.95 0.18 -2.79 0.00 0.00 177.10 175.90 1nkq n LEU 466 N 5.18 2.13 -0.24 3.21 4.32 -1.25 -4.69 117.00 125.66 1nkq n LEU 466 Ca -0.12 -0.97 0.08 0.00 -0.02 0.00 0.00 56.01 54.98 1nkq n LEU 466 Cb 0.51 0.00 0.33 0.00 -1.62 0.00 0.00 43.42 42.64 1nkq n LEU 466 CO -0.04 0.39 1.23 -0.61 -1.22 0.00 0.00 177.39 177.14 1nkq h GLN 467 N 2.73 0.78 -0.01 3.23 5.75 -1.93 -3.21 115.11 122.45 1nkq h GLN 467 Ca 0.00 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 1nkq h GLN 467 Cb 0.60 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 28.98 1nkq h GLN 467 CO 0.00 0.51 -0.52 -0.25 -2.65 0.00 0.00 178.83 175.93 1nkq n ASP 468 N -4.51 1.49 0.22 -0.69 8.00 -1.26 -3.21 116.55 116.59 1nkq n ASP 468 Ca 0.13 -1.25 0.11 0.00 0.71 0.00 0.00 54.79 54.49 1nkq n ASP 468 Cb 0.30 0.63 0.32 0.00 -0.02 0.00 0.00 41.12 42.34 1nkq n ASP 468 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 1nkq h ILE 469 N 1.43 0.33 -3.01 0.53 3.07 -1.86 -3.43 117.51 114.56 1nkq h ILE 469 Ca 0.00 -1.19 -0.61 0.00 1.55 0.00 0.00 64.86 64.61 1nkq h ILE 469 Cb 0.56 1.93 -0.05 0.00 -0.27 0.00 0.00 36.82 38.99 1nkq h ILE 469 CO 0.00 0.16 -0.32 -0.36 -1.05 0.00 0.00 178.15 176.58 1nkq s PHE 470 N -3.37 3.58 -0.04 0.16 0.40 -1.26 -0.64 117.98 116.81 1nkq s PHE 470 Ca 0.03 0.67 0.03 0.00 -0.60 0.00 0.00 56.93 57.07 1nkq s PHE 470 Cb 0.08 -2.07 0.01 0.00 0.51 0.00 0.00 43.02 41.54 1nkq s PHE 470 CO 0.65 0.56 -0.11 0.50 0.70 0.00 0.00 175.22 177.52 1nkq s ARG 471 N -1.87 1.29 -0.02 0.44 6.06 -0.59 -0.75 118.95 123.52 1nkq s ARG 471 Ca 0.31 -0.38 0.08 0.00 -2.50 0.00 0.00 55.73 53.23 1nkq s ARG 471 Cb -0.14 -1.15 -0.02 0.00 0.06 0.00 0.00 34.95 33.71 1nkq s ARG 471 CO 0.17 0.11 -0.25 0.54 -2.50 0.00 0.00 175.30 173.37 1nkq s VAL 472 N 0.31 2.00 -0.03 7.11 0.11 0.50 -0.18 120.40 130.22 1nkq s VAL 472 Ca -0.06 -1.09 -0.14 0.00 -2.93 0.00 0.00 61.98 57.76 1nkq s VAL 472 Cb -0.11 -1.66 0.02 0.00 -1.53 0.00 0.00 36.38 33.10 1nkq s VAL 472 CO 0.02 0.55 0.29 -1.59 -3.33 0.00 0.00 175.10 171.04 1nkq s LYS 473 N -0.62 0.61 -0.02 1.54 -2.85 -0.62 -1.24 119.74 116.54 1nkq s LYS 473 Ca 0.10 -0.13 0.01 0.00 -1.00 0.00 0.00 55.97 54.94 1nkq s LYS 473 Cb -0.10 0.27 0.01 0.00 -2.06 0.00 0.00 37.83 35.96 1nkq s LYS 473 CO -0.01 -0.16 -0.03 0.00 0.10 0.00 0.00 175.35 175.26 1nkq s SER 475 N 0.50 1.76 -0.10 0.00 0.01 0.14 -0.97 113.70 115.04 1nkq s SER 475 Ca -0.05 -0.38 0.02 0.00 1.31 0.00 0.00 55.95 56.84 1nkq s SER 475 Cb -0.09 -0.15 0.01 0.00 0.21 0.00 0.00 66.02 66.01 1nkq s SER 475 CO -0.01 0.11 -0.15 -0.69 0.41 0.00 0.00 173.24 172.91 1nkq s VAL 476 N -0.63 1.48 -1.46 3.43 1.01 -0.48 -0.21 120.40 123.53 1nkq s VAL 476 Ca 0.04 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 61.29 1nkq s VAL 476 Cb -0.07 -1.35 0.06 0.00 0.00 0.00 0.00 36.38 35.02 1nkq s VAL 476 CO 0.01 0.44 0.87 0.59 0.00 0.00 0.00 175.10 177.00 1nkq n ASN 477 N 4.12 -3.46 0.00 3.32 3.02 0.13 -1.72 115.26 120.67 1nkq n ASN 477 Ca -0.19 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 1nkq n ASN 477 Cb 0.51 -3.87 0.00 0.00 -0.61 0.00 0.00 39.78 35.82 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 -1.67 0.51 3.19 7.41 0.00 -1.26 -5.02 105.19 108.35 1nkq n GLY 478 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 1nkq n GLY 478 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nkq s GLN 479 N -0.26 3.10 -0.03 1.61 -0.21 -0.70 -5.08 119.66 118.10 1nkq s GLN 479 Ca 0.00 -0.79 -0.30 0.00 0.02 0.00 0.00 55.36 54.29 1nkq s GLN 479 Cb 0.00 -2.62 -0.06 0.00 1.00 0.00 0.00 33.01 31.33 1nkq s GLN 479 CO 0.00 -0.12 1.65 -1.17 -2.12 0.00 0.00 175.29 173.52 1nkq s LEU 480 N 1.13 4.33 -0.07 2.90 2.96 -1.26 -1.39 118.68 127.28 1nkq s LEU 480 Ca 0.01 2.28 0.03 0.00 -0.22 0.00 0.00 54.13 56.23 1nkq s LEU 480 Cb -0.14 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 42.94 1nkq s LEU 480 CO -0.07 -0.91 -0.03 0.54 -1.32 0.00 0.00 176.35 174.57 1nkq n ARG 481 N 6.76 1.53 -4.58 1.98 1.74 -0.14 -4.98 116.66 118.97 1nkq n ARG 481 Ca 0.17 0.02 -0.23 0.00 -0.77 0.00 0.00 57.85 57.04 1nkq n ARG 481 Cb 0.42 -1.17 -0.16 0.00 -1.02 0.00 0.00 32.46 30.54 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 -2.16 1.33 -0.38 5.56 -0.21 -0.85 -4.43 119.66 118.51 1nkq s GLN 482 Ca -0.07 -0.43 0.07 0.00 0.02 0.00 0.00 55.36 54.94 1nkq s GLN 482 Cb 0.02 -1.19 0.18 0.00 1.00 0.00 0.00 33.01 33.02 1nkq s GLN 482 CO 0.23 0.16 0.59 0.34 -2.12 0.00 0.00 175.29 174.49 1nkq s ASP 483 N 0.16 -1.19 0.08 5.90 2.15 -1.25 -0.69 116.67 121.82 1nkq s ASP 483 Ca -0.04 -0.71 0.04 0.00 0.43 0.00 0.00 52.55 52.28 1nkq s ASP 483 Cb -0.10 1.80 -0.03 0.00 -0.30 0.00 0.00 42.92 44.28 1nkq s ASP 483 CO 0.01 -0.21 -0.12 -0.83 -0.17 0.00 0.00 175.17 173.86 1nkq s GLY 484 N 1.98 0.83 0.09 2.66 0.00 -0.38 -4.97 107.32 107.53 1nkq s GLY 484 Ca 0.15 -1.04 -0.03 0.00 0.00 0.00 0.00 44.72 43.80 1nkq s GLY 484 CO -0.10 -1.09 0.29 -0.32 0.00 0.00 0.00 173.10 171.88 1nkq s GLY 485 N -1.97 2.22 0.00 0.20 0.00 -1.26 -0.37 107.32 106.13 1nkq s GLY 485 Ca -0.00 -0.68 0.09 0.00 0.00 0.00 0.00 44.72 44.13 1nkq s GLY 485 CO 0.01 -0.61 1.23 -1.30 0.00 0.00 0.00 173.10 172.43 1nkq n THR 486 N 0.31 1.13 0.95 0.90 -2.24 0.07 -1.37 114.28 114.02 1nkq n THR 486 Ca -0.05 0.28 0.11 0.00 -2.27 0.00 0.00 64.05 62.13 1nkq n THR 486 Cb 0.52 -1.13 0.54 0.00 -2.10 0.00 0.00 70.33 68.15 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 -1.40 0.00 -4.40 3.42 6.94 -1.20 -4.73 115.26 113.89 1nkq n ASN 487 Ca 0.03 0.21 -0.45 0.00 -0.02 0.00 0.00 54.58 54.35 1nkq n ASN 487 Cb 0.09 -0.39 -0.03 0.00 -2.36 0.00 0.00 39.78 37.10 1nkq n ASN 487 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1nkq s LEU 488 N -2.77 5.74 0.09 -4.53 1.43 -0.47 -5.04 118.68 113.12 1nkq s LEU 488 Ca 0.17 -2.21 0.00 0.00 -1.03 0.00 0.00 54.13 51.06 1nkq s LEU 488 Cb 0.15 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 44.06 1nkq s LEU 488 CO 0.38 -0.89 0.00 0.18 0.23 0.00 0.00 176.35 176.25 1nkq n LEU 490 N 5.56 0.33 -4.46 1.79 4.77 0.43 -1.48 117.00 123.93 1nkq n LEU 490 Ca 0.16 0.15 -0.41 0.00 -0.03 0.00 0.00 56.01 55.88 1nkq n LEU 490 Cb 0.47 -0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 41.44 1nkq n LEU 490 CO 0.45 -0.50 -0.13 -1.00 -1.33 0.00 0.00 177.39 174.87 1nkq s HIS 491 N -2.00 3.22 0.92 -1.77 3.76 -1.26 -5.07 115.29 113.08 1nkq s HIS 491 Ca 0.00 -0.52 -0.11 0.00 -0.15 0.00 0.00 55.06 54.29 1nkq s HIS 491 Cb 0.00 -2.47 0.14 0.00 1.11 0.00 0.00 32.58 31.36 1nkq s HIS 491 CO 0.00 -0.49 1.12 -1.25 -0.85 0.00 0.00 174.74 173.27 1nkq s PRO 492 N 1.66 1.03 0.19 8.40 0.04 -1.26 -4.72 135.00 140.34 1nkq s PRO 492 Ca 0.05 1.33 -0.17 0.00 0.04 0.00 0.00 61.00 62.25 1nkq s PRO 492 Cb -0.18 -1.75 0.16 0.00 0.04 0.00 0.00 34.50 32.78 1nkq s PRO 492 CO 0.09 -2.55 1.63 -0.07 0.04 0.00 0.00 177.00 176.14 1nkq h LEU 493 N -1.80 -0.66 -1.74 -3.56 4.07 -1.96 -1.11 115.31 108.55 1nkq h LEU 493 Ca -0.46 0.17 -0.02 0.00 0.08 0.00 0.00 57.88 57.66 1nkq h LEU 493 Cb 1.27 0.39 -0.01 0.00 1.08 0.00 0.00 40.66 43.39 1nkq h LEU 493 CO 0.46 -0.22 0.00 1.12 -1.08 0.00 0.00 178.44 178.72 1nkq h HIS 494 N -0.06 0.15 0.00 1.13 2.07 -1.90 -1.56 115.15 114.98 1nkq h HIS 494 Ca 0.25 -0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 57.58 1nkq h HIS 494 Cb 0.45 -0.05 -0.03 0.00 2.57 0.00 0.00 27.41 30.35 1nkq h HIS 494 CO -0.49 0.17 -0.89 0.87 -3.07 0.00 0.00 177.93 174.52 1nkq h LYS 495 N 0.16 0.00 0.11 5.12 1.57 -1.65 -2.52 116.57 119.36 1nkq h LYS 495 Ca 0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1nkq h LYS 495 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1nkq h LYS 495 CO 0.00 0.89 -0.05 0.82 -0.57 0.00 0.00 179.45 180.54 1nkq h ILE 496 N 0.00 1.03 -0.65 1.86 2.04 -0.34 0.12 117.51 121.57 1nkq h ILE 496 Ca -0.01 -0.57 0.01 0.00 1.00 0.00 0.00 64.86 65.29 1nkq h ILE 496 Cb 1.61 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 39.05 1nkq h ILE 496 CO 0.12 0.14 0.43 -0.07 0.00 0.00 0.00 178.15 178.76 1nkq h LEU 497 N -0.42 0.74 0.04 1.44 3.38 -1.37 -2.32 115.31 116.81 1nkq h LEU 497 Ca -0.02 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1nkq h LEU 497 Cb 0.34 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1nkq h LEU 497 CO 0.03 0.53 -0.02 -0.61 0.09 0.00 0.00 178.44 178.46 1nkq h GLN 498 N 0.87 -0.05 0.03 1.13 -0.00 -1.39 -2.88 115.11 112.82 1nkq h GLN 498 Ca 0.24 0.00 0.02 0.00 -0.00 0.00 0.00 58.65 58.91 1nkq h GLN 498 Cb -0.10 0.01 -0.03 0.00 0.00 0.00 0.00 27.48 27.37 1nkq h GLN 498 CO -0.05 0.34 -0.15 1.25 0.00 0.00 0.00 178.83 180.21 1nkq h HIS 499 N -0.46 -0.40 -0.48 3.99 2.76 -0.74 -2.87 115.15 116.96 1nkq h HIS 499 Ca -0.01 0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.25 1nkq h HIS 499 Cb 0.42 0.17 -0.06 0.00 1.55 0.00 0.00 27.41 29.49 1nkq h HIS 499 CO 0.06 -0.23 0.13 0.82 -1.30 0.00 0.00 177.93 177.42 1nkq h ILE 500 N -0.27 0.79 -0.14 6.26 2.04 -1.50 -2.22 117.51 122.47 1nkq h ILE 500 Ca 0.04 -0.10 0.04 0.00 1.00 0.00 0.00 64.86 65.84 1nkq h ILE 500 Cb 0.32 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1nkq h ILE 500 CO -0.13 0.05 0.27 0.77 0.00 0.00 0.00 178.15 179.11 1nkq h SER 501 N 0.29 0.00 0.00 1.72 4.64 -1.27 -0.71 113.55 118.21 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 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1nkq h SER 501 CO -0.27 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.04 1nkq n THR 502 N -3.37 0.00 -1.52 2.95 -2.24 -0.84 -1.02 114.28 108.25 1nkq n THR 502 Ca 0.01 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.43 1nkq n THR 502 Cb 0.37 -0.25 -0.12 0.00 -2.10 0.00 0.00 70.33 68.23 1nkq n THR 502 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1nkq n ILE 504 N -0.24 -0.02 -1.60 2.28 5.41 -0.27 -4.88 119.36 120.03 1nkq n ILE 504 Ca 0.00 -0.30 -0.43 0.00 1.00 0.00 0.00 62.75 63.02 1nkq n ILE 504 Cb 0.12 -1.16 0.00 0.00 -0.71 0.00 0.00 39.64 37.89 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 11.90 1.32 -4.88 4.38 7.64 -1.26 -4.93 113.62 127.80 1nkq n SER 505 Ca 0.57 1.10 -0.30 0.00 1.01 0.00 0.00 58.87 61.25 1nkq n SER 505 Cb 0.20 -1.33 -0.05 0.00 -1.01 0.00 0.00 64.21 62.02 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 -0.13 4.18 0.08 -3.43 1.43 0.08 -4.97 118.68 115.93 1nkq s LEU 506 Ca 0.61 0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.88 1nkq s LEU 506 Cb -0.61 -2.80 -0.04 0.00 0.03 0.00 0.00 46.19 42.77 1nkq s LEU 506 CO 0.59 0.16 -0.04 -1.83 0.23 0.00 0.00 176.35 175.45 1nkq s GLU 507 N -2.54 0.76 0.15 1.70 -1.05 -1.26 -0.98 118.70 115.48 1nkq s GLU 507 Ca 0.33 -1.30 -0.34 0.00 -0.15 0.00 0.00 54.97 53.52 1nkq s GLU 507 Cb -0.13 -0.01 -0.16 0.00 -0.44 0.00 0.00 34.13 33.40 1nkq s GLU 507 CO 0.26 -0.07 1.19 -2.30 0.95 0.00 0.00 175.26 175.29 1nkq n PRO 508 N 0.01 1.13 0.00 -4.83 -0.02 -1.21 -1.61 135.00 128.47 1nkq n PRO 508 Ca -0.12 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1nkq n PRO 508 Cb 0.61 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 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 2.10 2.35 3.76 -1.23 0.00 0.21 -4.80 105.19 107.58 1nkq n GLY 509 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1nkq n GLY 509 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nkq s ASP 510 N -1.39 6.44 -0.21 1.61 1.11 -0.63 -3.72 116.67 119.87 1nkq s ASP 510 Ca 0.00 2.91 -0.07 0.00 0.18 0.00 0.00 52.55 55.56 1nkq s ASP 510 Cb 0.00 -2.64 -0.04 0.00 1.07 0.00 0.00 42.92 41.31 1nkq s ASP 510 CO 0.00 -0.84 0.07 -0.63 1.18 0.00 0.00 175.17 174.95 1nkq s ILE 511 N -0.34 4.62 -0.21 0.77 1.01 -0.78 -1.33 121.20 124.94 1nkq s ILE 511 Ca 0.59 -0.08 -0.00 0.00 0.00 0.00 0.00 60.65 61.16 1nkq s ILE 511 Cb -0.46 -3.12 0.02 0.00 0.01 0.00 0.00 42.46 38.92 1nkq s ILE 511 CO 0.51 0.40 -0.13 -0.63 0.00 0.00 0.00 174.94 175.09 1nkq s ILE 512 N 0.93 2.44 -0.17 2.92 1.01 -0.34 -2.17 121.20 125.82 1nkq s ILE 512 Ca 0.04 -0.99 -0.20 0.00 0.00 0.00 0.00 60.65 59.51 1nkq s ILE 512 Cb -0.14 -2.14 -0.03 0.00 0.01 0.00 0.00 42.46 40.16 1nkq s ILE 512 CO 0.03 0.37 0.56 -0.76 0.00 0.00 0.00 174.94 175.14 1nkq s LEU 513 N 1.30 4.19 -0.07 2.97 1.43 -0.81 -0.64 118.68 127.04 1nkq s LEU 513 Ca 0.02 0.80 0.13 0.00 -1.03 0.00 0.00 54.13 54.05 1nkq s LEU 513 Cb -0.15 -2.80 0.49 0.00 0.03 0.00 0.00 46.19 43.76 1nkq s LEU 513 CO -0.09 -0.17 1.35 0.35 0.23 0.00 0.00 176.35 178.03 1nkq n THR 514 N 4.34 1.20 0.00 5.49 -2.24 -0.84 -2.26 114.28 119.98 1nkq n THR 514 Ca -0.04 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 1nkq n THR 514 Cb 0.50 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 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 0.90 2.55 3.39 3.38 0.00 -1.25 -4.83 105.19 109.33 1nkq n GLY 515 Ca 0.18 -1.92 -0.29 0.00 0.00 0.00 0.00 46.02 43.98 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 -3.00 2.31 0.66 2.61 -1.32 -1.26 -4.32 115.64 111.32 1nkq s THR 516 Ca 0.00 -1.68 -0.09 0.00 -1.21 0.00 0.00 61.69 58.71 1nkq s THR 516 Cb 0.00 -2.01 0.01 0.00 -1.51 0.00 0.00 72.50 68.99 1nkq s THR 516 CO 0.00 0.13 1.02 -2.16 -2.21 0.00 0.00 174.62 171.40 1nkq s PRO 517 N -1.95 2.89 0.81 7.08 0.04 -1.26 -4.36 135.00 138.25 1nkq s PRO 517 Ca 0.14 0.27 -0.15 0.00 0.04 0.00 0.00 61.00 61.31 1nkq s PRO 517 Cb -0.10 -2.12 0.01 0.00 0.04 0.00 0.00 34.50 32.33 1nkq s PRO 517 CO 0.06 -0.89 0.67 0.00 0.04 0.00 0.00 177.00 176.87 1nkq n ALA 518 N -2.83 -1.43 0.00 8.56 0.00 -1.26 -4.44 120.51 119.11 1nkq n ALA 518 Ca 0.06 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1nkq n ALA 518 Cb 0.57 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 18.08 1nkq n ALA 518 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nkq n GLY 519 N 1.34 1.57 3.74 0.00 0.00 -1.26 -4.43 105.19 106.15 1nkq n GLY 519 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1nkq n GLY 519 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1nkq n VAL 520 N -0.64 1.02 -4.34 1.61 0.31 -1.26 -4.39 118.33 110.64 1nkq n VAL 520 Ca 0.00 -0.25 -0.18 0.00 -0.01 0.00 0.00 64.34 63.90 1nkq n VAL 520 Cb 0.00 -1.95 -0.05 0.00 -0.91 0.00 0.00 33.84 30.93 1nkq n VAL 520 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nkq n GLY 521 N 2.17 3.40 3.91 2.92 0.00 -1.26 -4.97 105.19 111.36 1nkq n GLY 521 Ca 0.09 -2.02 -0.22 0.00 0.00 0.00 0.00 46.02 43.87 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 -3.13 3.23 -0.03 1.61 2.12 -1.26 -1.40 118.70 119.83 1nkq s GLU 522 Ca 0.18 -0.87 0.03 0.00 0.36 0.00 0.00 54.97 54.68 1nkq s GLU 522 Cb 0.01 -2.76 0.00 0.00 0.26 0.00 0.00 34.13 31.64 1nkq s GLU 522 CO 0.13 0.43 -0.12 -0.51 -0.54 0.00 0.00 175.26 174.64 1nkq s LEU 523 N -3.86 1.83 0.12 2.70 1.43 0.21 -4.84 118.68 116.27 1nkq s LEU 523 Ca 0.33 -0.25 0.04 0.00 -1.03 0.00 0.00 54.13 53.22 1nkq s LEU 523 Cb -0.09 -0.72 -0.04 0.00 0.03 0.00 0.00 46.19 45.37 1nkq s LEU 523 CO 0.27 0.10 -0.11 -0.54 0.23 0.00 0.00 176.35 176.30 1nkq s LYS 524 N 0.14 0.94 0.17 1.70 1.02 -1.26 -4.14 119.74 118.31 1nkq s LYS 524 Ca -0.04 -1.26 -0.33 0.00 0.02 0.00 0.00 55.97 54.36 1nkq s LYS 524 Cb -0.10 -0.63 -0.16 0.00 -0.52 0.00 0.00 37.83 36.43 1nkq s LYS 524 CO 0.01 0.10 1.22 -2.30 -0.92 0.00 0.00 175.35 173.46 1nkq n PRO 525 N 0.33 1.27 0.00 -1.68 -0.02 -1.26 -1.64 135.00 131.99 1nkq n PRO 525 Ca -0.14 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1nkq n PRO 525 Cb 0.58 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 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 2.12 3.15 3.76 -1.23 0.00 0.14 -4.90 105.19 108.24 1nkq n GLY 526 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.41 5.57 -0.15 1.61 1.01 -0.65 -4.76 116.67 118.89 1nkq s ASP 527 Ca 0.00 2.31 -0.01 0.00 0.71 0.00 0.00 52.55 55.55 1nkq s ASP 527 Cb 0.00 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 1nkq s ASP 527 CO 0.00 -1.33 -0.10 -0.13 0.21 0.00 0.00 175.17 173.82 1nkq s ARG 528 N -3.19 3.44 -0.15 8.23 1.81 -1.26 -1.78 118.95 126.05 1nkq s ARG 528 Ca 0.73 -0.64 -0.01 0.00 -1.72 0.00 0.00 55.73 54.09 1nkq s ARG 528 Cb -0.28 -2.74 -0.01 0.00 -0.45 0.00 0.00 34.95 31.47 1nkq s ARG 528 CO 0.31 0.16 -0.12 0.08 -0.68 0.00 0.00 175.30 175.06 1nkq s VAL 529 N 0.50 3.10 -0.16 3.52 1.01 0.37 -0.69 120.40 128.06 1nkq s VAL 529 Ca -0.07 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.28 1nkq s VAL 529 Cb -0.15 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.91 1nkq s VAL 529 CO 0.04 0.51 -0.18 -2.28 0.00 0.00 0.00 175.10 173.19 1nkq s HIS 530 N 0.55 2.75 0.09 5.22 2.46 0.71 -0.94 115.29 126.13 1nkq s HIS 530 Ca -0.08 -1.22 0.08 0.00 0.47 0.00 0.00 55.06 54.31 1nkq s HIS 530 Cb -0.15 -1.88 -0.03 0.00 -0.13 0.00 0.00 32.58 30.38 1nkq s HIS 530 CO 0.04 -0.57 -0.20 0.00 -2.47 0.00 0.00 174.74 171.53 1nkq s GLU 532 N -1.82 0.64 -0.07 0.00 2.02 0.39 -4.33 118.70 115.53 1nkq s GLU 532 Ca 0.06 -0.97 0.01 0.00 0.02 0.00 0.00 54.97 54.09 1nkq s GLU 532 Cb -0.10 -0.27 0.02 0.00 0.10 0.00 0.00 34.13 33.89 1nkq s GLU 532 CO 0.04 0.03 -0.06 -1.17 0.02 0.00 0.00 175.26 174.11 1nkq s LEU 533 N -2.11 1.23 0.09 1.80 0.20 -0.45 -1.59 118.68 117.86 1nkq s LEU 533 Ca -0.02 -0.21 0.07 0.00 0.69 0.00 0.00 54.13 54.67 1nkq s LEU 533 Cb -0.05 -0.64 -0.04 0.00 -0.43 0.00 0.00 46.19 45.04 1nkq s LEU 533 CO -0.01 -0.08 -0.14 -0.76 -0.29 0.00 0.00 176.35 175.07 1nkq s LEU 534 N 1.26 2.83 -0.24 -0.68 1.43 0.74 -1.82 118.68 122.20 1nkq s LEU 534 Ca -0.05 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.63 1nkq s LEU 534 Cb -0.14 -1.66 0.06 0.00 0.03 0.00 0.00 46.19 44.48 1nkq s LEU 534 CO -0.02 0.20 -0.09 -1.58 0.23 0.00 0.00 176.35 175.10 1nkq s GLN 535 N -1.94 1.95 -1.44 1.70 0.74 -0.16 -1.54 119.66 118.96 1nkq s GLN 535 Ca 0.18 -1.11 -0.11 0.00 0.05 0.00 0.00 55.36 54.37 1nkq s GLN 535 Cb -0.11 -2.69 0.05 0.00 1.10 0.00 0.00 33.01 31.36 1nkq s GLN 535 CO 0.10 -0.56 1.05 0.09 -0.55 0.00 0.00 175.29 175.43 1nkq n ASN 536 N 4.58 -5.18 -1.15 6.67 4.13 0.19 -1.37 115.26 123.12 1nkq n ASN 536 Ca -0.13 -0.68 -0.14 0.00 1.68 0.00 0.00 54.58 55.31 1nkq n ASN 536 Cb 0.44 -4.39 -0.05 0.00 -1.54 0.00 0.00 39.78 34.23 1nkq n ASN 536 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1nkq n ASN 537 N -2.93 -4.62 -4.34 6.41 3.02 -1.26 -5.00 115.26 106.54 1nkq n ASN 537 Ca 0.00 0.29 -0.34 0.00 -0.03 0.00 0.00 54.58 54.51 1nkq n ASN 537 Cb 0.55 -3.42 -0.14 0.00 -0.61 0.00 0.00 39.78 36.16 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 -2.78 4.11 0.10 6.41 1.01 -0.47 -5.06 116.67 119.99 1nkq s ASP 538 Ca 0.00 -0.36 -0.31 0.00 0.71 0.00 0.00 52.55 52.59 1nkq s ASP 538 Cb 0.00 -1.66 -0.09 0.00 1.01 0.00 0.00 42.92 42.18 1nkq s ASP 538 CO 0.00 0.08 1.65 0.21 0.21 0.00 0.00 175.17 177.32 1nkq s ASN 539 N 0.87 6.58 0.00 0.27 3.84 -1.26 -0.99 114.94 124.25 1nkq s ASN 539 Ca -0.03 2.55 0.00 0.00 0.21 0.00 0.00 52.86 55.60 1nkq s ASN 539 Cb -0.15 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 37.98 1nkq s ASN 539 CO 0.00 -0.88 0.00 2.30 -2.79 0.00 0.00 177.10 175.73 1nkq n ILE 540 N 4.50 0.00 -3.70 -5.21 -5.35 -0.76 -4.92 119.36 103.92 1nkq n ILE 540 Ca 0.15 -0.28 -0.13 0.00 -0.27 0.00 0.00 62.75 62.22 1nkq n ILE 540 Cb 0.40 0.90 -0.14 0.00 -1.74 0.00 0.00 39.64 39.06 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 -0.76 -0.17 0.02 7.28 1.01 -1.08 -5.00 120.40 121.70 1nkq s VAL 541 Ca 0.00 0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 1nkq s VAL 541 Cb 0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 36.00 1nkq s VAL 541 CO 0.00 0.09 -0.01 -0.62 0.00 0.00 0.00 175.10 174.56 1nkq s ASP 542 N 1.70 0.21 -0.26 3.32 -1.08 -1.26 -1.34 116.67 117.97 1nkq s ASP 542 Ca -0.05 -0.46 -0.26 0.00 -0.52 0.00 0.00 52.55 51.26 1nkq s ASP 542 Cb -0.11 0.11 0.14 0.00 -1.46 0.00 0.00 42.92 41.60 1nkq s ASP 542 CO -0.08 -0.30 1.14 0.20 0.52 0.00 0.00 175.17 176.66 1nkq s ASN 544 N -1.41 -0.31 0.03 -0.34 0.01 -1.26 -5.02 114.94 106.63 1nkq s ASN 544 Ca -0.15 0.53 0.01 0.00 -0.71 0.00 0.00 52.86 52.54 1nkq s ASN 544 Cb -0.09 0.51 -0.02 0.00 0.41 0.00 0.00 41.25 42.06 1nkq s ASN 544 CO -0.01 -0.15 -0.05 -0.36 -1.51 0.00 0.00 177.10 175.02 1nkq s PHE 545 N -0.20 0.46 -0.06 2.20 0.40 -0.12 -4.55 117.98 116.11 1nkq s PHE 545 Ca 0.04 -0.42 0.04 0.00 -0.60 0.00 0.00 56.93 55.98 1nkq s PHE 545 Cb -0.04 -0.29 -0.02 0.00 0.51 0.00 0.00 43.02 43.18 1nkq s PHE 545 CO -0.07 -0.10 -0.16 -1.21 0.70 0.00 0.00 175.22 174.38 1nkq s GLU 546 N -1.25 2.62 -0.06 0.44 2.02 -1.26 -0.48 118.70 120.73 1nkq s GLU 546 Ca -0.10 -0.73 -0.05 0.00 0.02 0.00 0.00 54.97 54.11 1nkq s GLU 546 Cb -0.08 -2.37 -0.04 0.00 0.10 0.00 0.00 34.13 31.73 1nkq s GLU 546 CO -0.00 0.53 0.18 0.00 0.02 0.00 0.00 175.26 175.98 1nkq s GLU 548 N -1.51 1.70 0.05 0.00 2.02 0.01 0.28 118.70 121.26 1nkq s GLU 548 Ca 0.22 -1.75 -0.27 0.00 0.02 0.00 0.00 54.97 53.18 1nkq s GLU 548 Cb -0.12 0.38 -0.05 0.00 0.10 0.00 0.00 34.13 34.44 1nkq s GLU 548 CO 0.12 -0.67 0.86 -0.80 0.02 0.00 0.00 175.26 174.80 1nkq s ASN 549 N -3.24 7.32 0.05 -0.19 0.01 -1.26 -0.78 114.94 116.86 1nkq s ASN 549 Ca 0.34 1.58 -0.30 0.00 -0.71 0.00 0.00 52.86 53.77 1nkq s ASN 549 Cb 0.02 -2.52 -0.05 0.00 0.41 0.00 0.00 41.25 39.11 1nkq s ASN 549 CO 0.20 -0.07 1.09 -0.60 -1.51 0.00 0.00 177.10 176.21 1nkq s ARG 550 N 0.19 4.52 0.00 -0.60 3.52 -0.30 -4.76 118.95 121.53 1nkq s ARG 550 Ca 0.43 1.60 0.00 0.00 -0.13 0.00 0.00 55.73 57.64 1nkq s ARG 550 Cb -0.21 -3.39 0.00 0.00 -1.56 0.00 0.00 34.95 29.79 1nkq s ARG 550 CO 0.26 -0.11 0.00 -0.35 -0.81 0.00 0.00 175.30 174.29 1nkq n PRO 551 N 3.69 0.59 -0.98 5.12 -0.04 -1.26 -4.58 135.00 137.54 1nkq n PRO 551 Ca 0.07 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.66 1nkq n PRO 551 Cb 0.48 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.91 1nkq n PRO 551 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nkq n GLY 552 N 3.44 -1.42 0.55 0.55 0.00 -1.26 -4.35 105.19 102.70 1nkq n GLY 552 Ca 0.00 -0.93 0.14 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.27 1.76 -2.06 1.61 -0.04 -1.26 -4.97 135.00 126.77 1nkq n PRO 553 Ca 0.01 -1.10 -0.40 0.00 -0.04 0.00 0.00 63.50 61.97 1nkq n PRO 553 Cb 0.45 -1.47 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.98 2.87 -0.26 0.54 5.04 -1.26 -5.02 117.35 117.27 1nkq s TYR 554 Ca 0.36 1.41 -0.08 0.00 -2.44 0.00 0.00 57.07 56.31 1nkq s TYR 554 Cb 0.21 -3.68 0.12 0.00 0.35 0.00 0.00 41.96 38.96 1nkq s TYR 554 CO 0.33 -2.05 0.57 -2.00 -1.34 0.00 0.00 175.55 171.05 1nkq s GLU 555 N -2.13 0.49 -0.20 4.97 2.12 -1.26 -4.18 118.70 118.50 1nkq s GLU 555 Ca 0.55 1.28 -0.18 0.00 0.36 0.00 0.00 54.97 56.98 1nkq s GLU 555 Cb -0.39 0.66 -0.03 0.00 0.26 0.00 0.00 34.13 34.63 1nkq s GLU 555 CO 0.50 -0.24 0.52 0.12 -0.54 0.00 0.00 175.26 175.62 1nkq s PHE 556 N 2.80 3.36 -0.02 5.30 5.36 0.76 -4.95 117.98 130.58 1nkq s PHE 556 Ca -0.03 0.76 0.01 0.00 -0.96 0.00 0.00 56.93 56.71 1nkq s PHE 556 Cb -0.12 -2.67 0.01 0.00 -0.34 0.00 0.00 43.02 39.90 1nkq s PHE 556 CO -0.17 -0.11 -0.05 1.03 -1.46 0.00 0.00 175.22 174.46 1nkq s ARG 557 N 1.68 0.58 0.00 10.12 1.81 -1.26 -4.18 118.95 127.69 1nkq s ARG 557 Ca 0.24 -0.15 0.17 0.00 -1.72 0.00 0.00 55.73 54.27 1nkq s ARG 557 Cb -0.15 -0.59 1.01 0.00 -0.45 0.00 0.00 34.95 34.77 1nkq s ARG 557 CO 0.09 0.03 1.42 -1.91 -0.68 0.00 0.00 175.30 174.25