#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jfq s GLN 303 N 0.00 0.44 -0.32 5.55 -0.21 -0.19 -4.97 119.66 119.96 1jfq s GLN 303 Ca 0.00 0.82 -0.05 0.00 0.02 0.00 0.00 55.36 56.15 1jfq s GLN 303 Cb 0.00 0.02 0.03 0.00 1.00 0.00 0.00 33.01 34.06 1jfq s GLN 303 CO 0.00 -0.15 0.07 -0.51 -2.12 0.00 0.00 175.29 172.58 1jfq s LEU 304 N 1.34 4.05 -0.28 2.90 1.43 -1.26 -1.23 118.68 125.63 1jfq s LEU 304 Ca -0.09 -1.04 -0.10 0.00 -1.03 0.00 0.00 54.13 51.86 1jfq s LEU 304 Cb -0.08 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 1jfq s LEU 304 CO -0.13 -0.27 0.17 -1.10 0.23 0.00 0.00 176.35 175.25 1jfq s GLN 305 N 1.39 3.88 0.31 1.70 -1.52 0.10 -4.15 119.66 121.37 1jfq s GLN 305 Ca -0.01 -0.36 0.07 0.00 -1.95 0.00 0.00 55.36 53.11 1jfq s GLN 305 Cb -0.19 -3.60 -0.03 0.00 -0.22 0.00 0.00 33.01 28.98 1jfq s GLN 305 CO 0.01 -0.19 0.29 -0.65 -0.25 0.00 0.00 175.29 174.51 1jfq s GLN 306 N 1.73 2.83 0.00 2.91 -0.21 -1.26 -0.65 119.66 125.01 1jfq s GLN 306 Ca 0.07 -1.20 0.00 0.00 0.02 0.00 0.00 55.36 54.25 1jfq s GLN 306 Cb -0.16 -2.54 0.00 0.00 1.00 0.00 0.00 33.01 31.31 1jfq s GLN 306 CO 0.10 0.17 0.00 0.45 -2.12 0.00 0.00 175.29 173.89 1jfq n SER 307 N -1.36 0.00 -3.40 5.90 2.88 -0.76 -4.97 113.62 111.91 1jfq n SER 307 Ca -0.03 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.47 1jfq n SER 307 Cb 0.59 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.06 1jfq n SER 307 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1jfq s GLY 308 N 0.00 0.07 0.29 0.46 0.00 -1.26 -1.57 107.32 105.31 1jfq s GLY 308 Ca 0.00 -0.28 -0.30 0.00 0.00 0.00 0.00 44.72 44.14 1jfq s GLY 308 CO 0.00 1.96 1.47 -0.62 0.00 0.00 0.00 173.10 175.91 1jfq n VAL 309 N -0.66 1.23 -0.00 1.40 0.31 -1.26 -4.90 118.33 114.44 1jfq n VAL 309 Ca -0.04 -0.31 -0.00 0.00 -0.01 0.00 0.00 64.34 63.99 1jfq n VAL 309 Cb 0.60 -1.72 -0.00 0.00 -0.91 0.00 0.00 33.84 31.80 1jfq n VAL 309 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1jfq n GLU 310 N 1.72 1.07 -3.13 5.55 0.28 -1.26 -4.83 120.64 120.04 1jfq n GLU 310 Ca 0.08 0.00 -0.44 0.00 -0.16 0.00 0.00 57.16 56.65 1jfq n GLU 310 Cb 0.35 -1.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.16 1jfq n GLU 310 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1jfq s LEU 311 N -4.74 5.01 0.17 -1.84 1.02 -1.26 0.01 118.68 117.06 1jfq s LEU 311 Ca -0.00 -1.00 0.03 0.00 0.02 0.00 0.00 54.13 53.18 1jfq s LEU 311 Cb 0.00 -2.43 -0.05 0.00 0.02 0.00 0.00 46.19 43.73 1jfq s LEU 311 CO 0.00 -0.96 -0.04 0.68 0.02 0.00 0.00 176.35 176.06 1jfq s VAL 312 N 2.71 0.91 0.09 -1.59 -7.23 -0.64 -5.02 120.40 109.64 1jfq s VAL 312 Ca 0.15 -2.01 0.02 0.00 -1.81 0.00 0.00 61.98 58.33 1jfq s VAL 312 Cb -0.20 -2.05 -0.04 0.00 0.56 0.00 0.00 36.38 34.66 1jfq s VAL 312 CO 0.11 -0.56 0.17 -0.13 -0.31 0.00 0.00 175.10 174.38 1jfq s ARG 313 N -3.84 3.21 0.60 4.82 1.81 -1.26 -0.28 118.95 124.01 1jfq s ARG 313 Ca 0.22 -0.59 -0.18 0.00 -1.72 0.00 0.00 55.73 53.46 1jfq s ARG 313 Cb 0.05 -2.89 -0.05 0.00 -0.45 0.00 0.00 34.95 31.60 1jfq s ARG 313 CO 0.03 0.57 0.89 0.00 -0.68 0.00 0.00 175.30 176.11 1jfq n ALA 314 N 0.15 -0.06 0.00 2.13 0.00 -1.26 -2.59 120.51 118.87 1jfq n ALA 314 Ca -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1jfq n ALA 314 Cb 0.52 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1jfq n ALA 314 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jfq n GLY 315 N 1.38 3.14 0.00 0.00 0.00 0.25 -4.93 105.19 105.02 1jfq n GLY 315 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1jfq n GLY 315 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jfq n SER 316 N 0.09 0.00 -3.99 1.61 3.41 -1.07 -4.37 113.62 109.30 1jfq n SER 316 Ca 0.00 -0.46 -0.08 0.00 -0.26 0.00 0.00 58.87 58.06 1jfq n SER 316 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 1jfq n SER 316 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1jfq s SER 317 N -1.00 0.30 0.03 4.04 0.01 -1.26 -1.50 113.70 114.32 1jfq s SER 317 Ca 0.00 -0.70 0.02 0.00 1.31 0.00 0.00 55.95 56.58 1jfq s SER 317 Cb 0.00 0.20 -0.02 0.00 0.21 0.00 0.00 66.02 66.41 1jfq s SER 317 CO 0.00 -0.51 -0.06 0.68 0.41 0.00 0.00 173.24 173.76 1jfq s VAL 318 N -2.90 0.43 -0.30 3.43 -7.23 -0.25 -4.99 120.40 108.60 1jfq s VAL 318 Ca -0.03 -0.96 0.02 0.00 -1.81 0.00 0.00 61.98 59.21 1jfq s VAL 318 Cb 0.01 -0.51 0.08 0.00 0.56 0.00 0.00 36.38 36.52 1jfq s VAL 318 CO -0.06 -0.36 0.01 -0.75 -0.31 0.00 0.00 175.10 173.63 1jfq s LYS 319 N -1.41 1.47 0.22 4.82 2.20 -1.26 -0.52 119.74 125.26 1jfq s LYS 319 Ca -0.10 -1.43 -0.05 0.00 -0.36 0.00 0.00 55.97 54.03 1jfq s LYS 319 Cb -0.09 -2.78 -0.05 0.00 -1.51 0.00 0.00 37.83 33.40 1jfq s LYS 319 CO 0.00 -0.81 0.46 -1.64 -0.36 0.00 0.00 175.35 173.00 1jfq s MET 320 N 1.19 3.63 0.20 4.03 -1.94 -0.37 -4.17 119.30 121.86 1jfq s MET 320 Ca 0.04 -0.06 0.10 0.00 -1.71 0.00 0.00 55.69 54.06 1jfq s MET 320 Cb -0.19 -2.75 -0.04 0.00 2.01 0.00 0.00 34.83 33.86 1jfq s MET 320 CO -0.10 0.35 -0.20 -1.54 -0.01 0.00 0.00 175.02 173.52 1jfq s SER 321 N -2.82 3.02 -0.27 3.03 1.04 -0.61 -1.82 113.70 115.27 1jfq s SER 321 Ca 0.42 -0.91 -0.04 0.00 0.48 0.00 0.00 55.95 55.91 1jfq s SER 321 Cb -0.11 -0.20 0.10 0.00 0.10 0.00 0.00 66.02 65.90 1jfq s SER 321 CO 0.27 0.00 0.14 0.00 0.98 0.00 0.00 173.24 174.63 1jfq s LYS 323 N 2.13 4.03 0.22 0.00 2.20 0.18 -0.22 119.74 128.28 1jfq s LYS 323 Ca 0.08 0.00 -0.11 0.00 -0.36 0.00 0.00 55.97 55.58 1jfq s LYS 323 Cb -0.16 -3.63 -0.07 0.00 -1.51 0.00 0.00 37.83 32.46 1jfq s LYS 323 CO -0.33 -0.21 0.57 0.00 -0.36 0.00 0.00 175.35 175.02 1jfq s ALA 324 N 1.87 3.55 0.10 3.13 0.00 -0.25 -0.72 121.76 129.42 1jfq s ALA 324 Ca 0.14 -0.21 -0.13 0.00 0.00 0.00 0.00 51.96 51.76 1jfq s ALA 324 Cb -0.16 -2.49 0.02 0.00 0.00 0.00 0.00 23.12 20.50 1jfq s ALA 324 CO 0.09 0.48 0.31 -1.12 0.00 0.00 0.00 175.76 175.53 1jfq s SER 325 N -2.21 -0.10 0.00 0.00 0.01 -0.36 -4.86 113.70 106.18 1jfq s SER 325 Ca 0.46 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.31 1jfq s SER 325 Cb -0.12 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.52 1jfq s SER 325 CO 0.20 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 173.69 1jfq n GLY 326 N -0.05 0.74 3.81 3.44 0.00 -1.26 -1.02 105.19 110.85 1jfq n GLY 326 Ca -0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 1jfq n GLY 326 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1jfq s TYR 327 N -2.63 0.10 -0.67 1.61 -0.85 -1.26 -4.49 117.35 109.15 1jfq s TYR 327 Ca 0.00 -0.77 -0.25 0.00 -0.52 0.00 0.00 57.07 55.53 1jfq s TYR 327 Cb 0.00 0.83 0.05 0.00 0.38 0.00 0.00 41.96 43.22 1jfq s TYR 327 CO 0.00 -1.55 1.11 0.99 -1.52 0.00 0.00 175.55 174.57 1jfq s THR 328 N -2.40 4.07 0.38 -3.49 2.01 -1.26 -4.92 115.64 110.02 1jfq s THR 328 Ca 0.15 0.13 0.25 0.00 0.31 0.00 0.00 61.69 62.52 1jfq s THR 328 Cb -0.05 -4.76 0.39 0.00 0.01 0.00 0.00 72.50 68.09 1jfq s THR 328 CO 0.11 -1.57 1.50 0.33 -0.69 0.00 0.00 174.62 174.30 1jfq n PHE 329 N 8.40 0.93 1.30 4.92 7.35 -1.26 -0.38 117.46 138.72 1jfq n PHE 329 Ca 0.01 0.94 0.14 0.00 -0.76 0.00 0.00 57.45 57.78 1jfq n PHE 329 Cb 0.47 -1.35 0.68 0.00 0.35 0.00 0.00 39.48 39.63 1jfq n PHE 329 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1jfq n THR 330 N -4.93 0.00 0.25 -2.13 -2.24 -1.26 -3.79 114.28 100.18 1jfq n THR 330 Ca 0.37 -0.01 0.13 0.00 -2.27 0.00 0.00 64.05 62.27 1jfq n THR 330 Cb 1.34 -0.41 0.29 0.00 -2.10 0.00 0.00 70.33 69.45 1jfq n THR 330 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1jfq h SER 331 N 0.08 0.00 -4.30 3.42 0.02 -1.11 -3.11 113.55 108.55 1jfq h SER 331 Ca 0.00 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.61 1jfq h SER 331 Cb 0.36 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 62.65 1jfq h SER 331 CO 0.00 0.00 -0.76 0.20 -1.14 0.00 0.00 176.83 175.13 1jfq s ASN 332 N -6.01 0.96 0.74 3.07 0.01 -1.25 -5.04 114.94 107.42 1jfq s ASN 332 Ca 0.06 -0.33 -0.12 0.00 -0.71 0.00 0.00 52.86 51.76 1jfq s ASN 332 Cb 0.06 -0.05 0.04 0.00 0.41 0.00 0.00 41.25 41.71 1jfq s ASN 332 CO 0.64 -0.03 1.10 -0.83 -1.51 0.00 0.00 177.10 176.47 1jfq s GLY 333 N -0.84 1.62 -0.06 0.66 0.00 -1.26 -4.44 107.32 103.00 1jfq s GLY 333 Ca -0.02 -0.33 0.05 0.00 0.00 0.00 0.00 44.72 44.42 1jfq s GLY 333 CO 0.00 0.07 -0.22 -0.42 0.00 0.00 0.00 173.10 172.53 1jfq s ILE 334 N -3.32 1.82 0.14 0.90 -1.09 0.10 -1.74 121.20 118.01 1jfq s ILE 334 Ca 0.59 -0.92 0.07 0.00 -2.23 0.00 0.00 60.65 58.16 1jfq s ILE 334 Cb -0.12 -1.56 -0.04 0.00 -1.58 0.00 0.00 42.46 39.16 1jfq s ILE 334 CO 0.52 0.51 -0.05 0.20 -1.23 0.00 0.00 174.94 174.89 1jfq s ASN 335 N 0.05 4.58 -0.03 3.58 -0.87 0.12 -0.84 114.94 121.53 1jfq s ASN 335 Ca -0.08 -0.40 0.07 0.00 -1.57 0.00 0.00 52.86 50.89 1jfq s ASN 335 Cb -0.14 -0.92 -0.02 0.00 -0.02 0.00 0.00 41.25 40.15 1jfq s ASN 335 CO 0.04 0.13 -0.24 0.26 -2.57 0.00 0.00 177.10 174.72 1jfq s TRP 336 N -1.48 2.26 0.03 2.20 0.52 -0.91 -0.58 118.94 120.97 1jfq s TRP 336 Ca 0.25 -0.52 0.04 0.00 0.02 0.00 0.00 56.10 55.88 1jfq s TRP 336 Cb -0.10 -1.47 -0.02 0.00 -1.15 0.00 0.00 33.47 30.73 1jfq s TRP 336 CO 0.16 -0.10 -0.11 0.08 0.02 0.00 0.00 176.95 177.00 1jfq s VAL 337 N -0.41 0.84 0.02 4.03 1.01 -0.24 -0.06 120.40 125.59 1jfq s VAL 337 Ca 0.05 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.29 1jfq s VAL 337 Cb -0.11 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.47 1jfq s VAL 337 CO 0.01 -0.02 -0.21 -0.75 0.00 0.00 0.00 175.10 174.13 1jfq s LYS 338 N -0.93 2.06 -0.23 2.72 2.20 0.65 -1.00 119.74 125.22 1jfq s LYS 338 Ca -0.00 -0.97 -0.04 0.00 -0.36 0.00 0.00 55.97 54.59 1jfq s LYS 338 Cb -0.07 -2.14 0.08 0.00 -1.51 0.00 0.00 37.83 34.19 1jfq s LYS 338 CO 0.01 0.55 0.12 -1.14 -0.36 0.00 0.00 175.35 174.52 1jfq s GLN 339 N -1.19 0.13 0.41 4.03 0.74 -0.68 0.59 119.66 123.68 1jfq s GLN 339 Ca 0.13 -0.27 -0.21 0.00 0.05 0.00 0.00 55.36 55.06 1jfq s GLN 339 Cb -0.10 -1.48 -0.11 0.00 1.10 0.00 0.00 33.01 32.42 1jfq s GLN 339 CO 0.03 -0.84 0.93 1.03 -0.55 0.00 0.00 175.29 175.89 1jfq s ARG 340 N 2.13 4.24 0.38 1.67 1.81 -1.25 -1.88 118.95 126.06 1jfq s ARG 340 Ca 0.05 1.10 0.26 0.00 -1.72 0.00 0.00 55.73 55.42 1jfq s ARG 340 Cb -0.16 -2.26 1.31 0.00 -0.45 0.00 0.00 34.95 33.39 1jfq s ARG 340 CO -0.22 0.01 1.40 -2.30 -0.68 0.00 0.00 175.30 173.52 1jfq n PRO 341 N -0.51 -0.04 -1.45 3.54 -0.02 -1.26 -2.96 135.00 132.31 1jfq n PRO 341 Ca 0.06 1.15 -0.39 0.00 -2.02 0.00 0.00 63.50 62.31 1jfq n PRO 341 Cb 0.54 -2.22 -0.06 0.00 -0.02 0.00 0.00 33.50 31.74 1jfq n PRO 341 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jfq n GLY 342 N -1.40 2.08 5.52 -1.23 0.00 -1.26 -4.85 105.19 104.05 1jfq n GLY 342 Ca 0.36 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1jfq n GLY 342 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1jfq n GLN 343 N 7.42 0.00 -1.20 1.61 -0.06 -1.15 -4.89 117.38 119.11 1jfq n GLN 343 Ca 0.48 0.00 -0.38 0.00 -2.00 0.00 0.00 57.00 55.10 1jfq n GLN 343 Cb 0.42 0.00 0.02 0.00 -4.06 0.00 0.00 30.24 26.63 1jfq n GLN 343 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1jfq n GLY 344 N 0.00 -3.36 3.75 1.69 0.00 -1.26 -4.73 105.19 101.27 1jfq n GLY 344 Ca 0.00 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 1jfq n GLY 344 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jfq s LEU 345 N 5.11 3.86 -0.06 0.99 1.02 -1.26 -3.77 118.68 124.57 1jfq s LEU 345 Ca 0.54 0.25 0.03 0.00 0.02 0.00 0.00 54.13 54.97 1jfq s LEU 345 Cb -0.40 -1.91 0.01 0.00 0.02 0.00 0.00 46.19 43.91 1jfq s LEU 345 CO 0.69 0.38 -0.14 -1.61 0.02 0.00 0.00 176.35 175.69 1jfq s GLU 346 N -0.90 1.83 -0.13 1.70 2.02 0.20 -4.94 118.70 118.48 1jfq s GLU 346 Ca 0.14 -0.48 -0.27 0.00 0.02 0.00 0.00 54.97 54.37 1jfq s GLU 346 Cb -0.12 -1.50 -0.02 0.00 0.10 0.00 0.00 34.13 32.60 1jfq s GLU 346 CO 0.03 0.07 0.89 -0.46 0.02 0.00 0.00 175.26 175.81 1jfq s TRP 347 N 0.54 3.48 -0.16 1.61 -0.00 -1.26 -0.25 118.94 122.90 1jfq s TRP 347 Ca -0.13 1.41 -0.15 0.00 -0.00 0.00 0.00 56.10 57.22 1jfq s TRP 347 Cb -0.15 -3.07 -0.12 0.00 -0.00 0.00 0.00 33.47 30.13 1jfq s TRP 347 CO 0.04 -0.19 0.13 0.82 -0.00 0.00 0.00 176.95 177.75 1jfq h ILE 348 N 5.09 0.59 -1.50 5.86 2.04 -0.83 -3.43 117.51 125.34 1jfq h ILE 348 Ca -0.32 -1.62 0.14 0.00 1.00 0.00 0.00 64.86 64.06 1jfq h ILE 348 Cb 1.15 1.30 -0.03 0.00 -0.74 0.00 0.00 36.82 38.50 1jfq h ILE 348 CO 0.83 0.20 0.35 0.61 0.00 0.00 0.00 178.15 180.14 1jfq n GLY 349 N 1.58 0.44 3.03 5.37 0.00 -1.23 0.49 105.19 114.86 1jfq n GLY 349 Ca -0.15 -0.91 -0.09 0.00 0.00 0.00 0.00 46.02 44.87 1jfq n GLY 349 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jfq s TYR 350 N -2.55 0.32 -0.15 1.61 5.04 -0.13 -2.14 117.35 119.35 1jfq s TYR 350 Ca 0.12 -0.66 -0.05 0.00 -2.44 0.00 0.00 57.07 54.04 1jfq s TYR 350 Cb -0.00 -0.23 0.07 0.00 0.35 0.00 0.00 41.96 42.15 1jfq s TYR 350 CO -0.00 -0.26 0.30 1.21 -1.34 0.00 0.00 175.55 175.46 1jfq s ASN 351 N -1.92 0.20 -0.43 4.32 3.84 -0.02 -1.71 114.94 119.22 1jfq s ASN 351 Ca -0.09 0.70 -0.13 0.00 0.21 0.00 0.00 52.86 53.55 1jfq s ASN 351 Cb -0.04 0.87 0.06 0.00 -0.55 0.00 0.00 41.25 41.59 1jfq s ASN 351 CO -0.04 -0.24 0.31 0.21 -2.79 0.00 0.00 177.10 174.56 1jfq s ASN 352 N 2.47 5.94 0.14 -4.21 3.84 0.44 0.01 114.94 123.58 1jfq s ASN 352 Ca 0.00 -1.23 0.17 0.00 0.21 0.00 0.00 52.86 52.01 1jfq s ASN 352 Cb -0.12 -2.10 0.74 0.00 -0.55 0.00 0.00 41.25 39.22 1jfq s ASN 352 CO -0.10 -0.54 1.51 -0.81 -2.79 0.00 0.00 177.10 174.38 1jfq n PRO 353 N 5.09 0.09 0.06 0.43 -0.04 -1.26 0.38 135.00 139.75 1jfq n PRO 353 Ca -0.12 0.41 -0.07 0.00 -0.04 0.00 0.00 63.50 63.69 1jfq n PRO 353 Cb 0.44 -1.71 -0.04 0.00 -0.04 0.00 0.00 33.50 32.15 1jfq n PRO 353 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1jfq h GLY 354 N 1.61 -0.27 -1.66 0.55 0.00 -1.82 -3.38 103.07 98.11 1jfq h GLY 354 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1jfq h GLY 354 CO 0.00 -0.10 -0.11 1.16 0.00 0.00 0.00 176.54 177.49 1jfq n ASN 355 N -4.93 2.72 -0.18 0.19 0.23 -1.17 -4.96 115.26 107.16 1jfq n ASN 355 Ca -0.05 -1.86 -0.02 0.00 -0.53 0.00 0.00 54.58 52.11 1jfq n ASN 355 Cb 0.18 0.12 -0.01 0.00 -2.08 0.00 0.00 39.78 37.99 1jfq n ASN 355 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jfq n GLY 356 N 1.34 0.48 3.74 4.83 0.00 0.16 -4.98 105.19 110.77 1jfq n GLY 356 Ca 0.13 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1jfq n GLY 356 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jfq s TYR 357 N -1.76 3.52 0.06 1.61 5.04 -1.18 -4.83 117.35 119.82 1jfq s TYR 357 Ca 0.00 1.56 0.03 0.00 -2.44 0.00 0.00 57.07 56.22 1jfq s TYR 357 Cb 0.00 -3.34 -0.03 0.00 0.35 0.00 0.00 41.96 38.94 1jfq s TYR 357 CO 0.00 -0.83 -0.10 0.42 -1.34 0.00 0.00 175.55 173.71 1jfq s ILE 358 N -0.43 0.75 -0.05 3.14 1.01 -1.26 -0.42 121.20 123.95 1jfq s ILE 358 Ca 0.49 -1.28 -0.15 0.00 0.00 0.00 0.00 60.65 59.72 1jfq s ILE 358 Cb -0.31 -0.91 0.03 0.00 0.01 0.00 0.00 42.46 41.28 1jfq s ILE 358 CO 0.37 -0.40 0.34 0.28 0.00 0.00 0.00 174.94 175.53 1jfq s THR 359 N -1.65 0.04 0.31 2.92 -1.32 -0.69 -4.98 115.64 110.26 1jfq s THR 359 Ca -0.04 -0.32 0.06 0.00 -1.21 0.00 0.00 61.69 60.18 1jfq s THR 359 Cb -0.08 -0.60 -0.06 0.00 -1.51 0.00 0.00 72.50 70.25 1jfq s THR 359 CO 0.00 -0.17 -0.00 -0.31 -2.21 0.00 0.00 174.62 171.93 1jfq s TYR 360 N -0.87 2.03 -0.15 9.09 2.02 -1.26 -0.95 117.35 127.25 1jfq s TYR 360 Ca -0.09 -0.80 -0.17 0.00 -0.37 0.00 0.00 57.07 55.64 1jfq s TYR 360 Cb -0.04 -1.26 -0.04 0.00 -0.40 0.00 0.00 41.96 40.21 1jfq s TYR 360 CO 0.03 0.20 0.43 1.21 -1.57 0.00 0.00 175.55 175.85 1jfq s ASN 361 N -3.49 6.57 0.57 2.29 3.04 0.18 -4.88 114.94 119.21 1jfq s ASN 361 Ca 0.33 0.67 0.37 0.00 0.04 0.00 0.00 52.86 54.27 1jfq s ASN 361 Cb 0.06 -2.25 1.48 0.00 -1.54 0.00 0.00 41.25 39.00 1jfq s ASN 361 CO 0.14 -0.02 1.68 -0.33 -3.04 0.00 0.00 177.10 175.53 1jfq h GLU 362 N 6.95 0.00 -0.51 0.43 4.39 -1.94 0.37 114.58 124.27 1jfq h GLU 362 Ca -0.39 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.26 1jfq h GLU 362 Cb 1.17 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.80 1jfq h GLU 362 CO 0.75 0.00 0.14 -0.22 -1.16 0.00 0.00 179.01 178.51 1jfq h LYS 363 N 0.00 0.80 -0.01 2.33 3.64 -1.94 -3.09 116.57 118.31 1jfq h LYS 363 Ca 0.58 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 1jfq h LYS 363 Cb 2.56 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 34.27 1jfq h LYS 363 CO -0.01 0.76 -0.54 1.19 -2.27 0.00 0.00 179.45 178.59 1jfq n PHE 364 N -4.47 0.00 -1.96 1.91 3.01 0.12 -4.83 117.46 111.24 1jfq n PHE 364 Ca 0.02 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.05 1jfq n PHE 364 Cb 0.21 -0.10 -0.03 0.00 -0.01 0.00 0.00 39.48 39.55 1jfq n PHE 364 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1jfq s LYS 365 N -2.74 4.11 0.00 -1.08 2.20 -0.29 -0.87 119.74 121.07 1jfq s LYS 365 Ca 0.16 2.20 0.00 0.00 -0.36 0.00 0.00 55.97 57.96 1jfq s LYS 365 Cb 0.18 -4.03 0.00 0.00 -1.51 0.00 0.00 37.83 32.47 1jfq s LYS 365 CO 0.66 -0.94 0.00 0.41 -0.36 0.00 0.00 175.35 175.12 1jfq n GLY 366 N 4.28 3.32 0.15 5.54 0.00 -1.26 -4.75 105.19 112.48 1jfq n GLY 366 Ca 0.18 -0.94 0.12 0.00 0.00 0.00 0.00 46.02 45.38 1jfq n GLY 366 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1jfq h LYS 367 N 0.00 0.00 -6.40 1.61 3.64 -1.80 -3.47 116.57 110.15 1jfq h LYS 367 Ca 0.00 0.00 -0.69 0.00 -1.27 0.00 0.00 60.65 58.69 1jfq h LYS 367 Cb 0.00 0.00 -0.25 0.00 -0.41 0.00 0.00 32.23 31.57 1jfq h LYS 367 CO 0.00 0.00 -0.80 0.99 -2.27 0.00 0.00 179.45 177.37 1jfq s THR 368 N -3.26 2.83 -0.12 1.00 2.01 -0.05 -2.36 115.64 115.69 1jfq s THR 368 Ca 0.04 -0.84 -0.01 0.00 0.31 0.00 0.00 61.69 61.20 1jfq s THR 368 Cb 0.08 -2.09 0.03 0.00 0.01 0.00 0.00 72.50 70.53 1jfq s THR 368 CO 0.72 0.57 -0.04 -0.89 -0.69 0.00 0.00 174.62 174.29 1jfq s THR 369 N -0.72 0.82 -0.12 -0.82 2.01 -0.65 -4.82 115.64 111.35 1jfq s THR 369 Ca 0.11 -0.27 -0.05 0.00 0.31 0.00 0.00 61.69 61.79 1jfq s THR 369 Cb -0.10 -0.96 -0.04 0.00 0.01 0.00 0.00 72.50 71.41 1jfq s THR 369 CO 0.01 0.24 0.08 -0.76 -0.69 0.00 0.00 174.62 173.49 1jfq s LEU 370 N 1.78 4.00 0.22 4.42 1.43 -1.26 -0.45 118.68 128.81 1jfq s LEU 370 Ca 0.04 0.29 -0.06 0.00 -1.03 0.00 0.00 54.13 53.37 1jfq s LEU 370 Cb -0.13 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.10 1jfq s LEU 370 CO -0.07 0.36 0.27 0.42 0.23 0.00 0.00 176.35 177.56 1jfq s THR 371 N -0.77 0.00 -0.05 5.49 -4.23 -0.87 -5.01 115.64 110.19 1jfq s THR 371 Ca 0.13 -1.76 -0.12 0.00 -1.18 0.00 0.00 61.69 58.76 1jfq s THR 371 Cb -0.12 -2.37 0.02 0.00 1.34 0.00 0.00 72.50 71.37 1jfq s THR 371 CO 0.03 -0.01 0.28 0.54 -0.54 0.00 0.00 174.62 174.91 1jfq s VAL 372 N -4.10 0.04 -0.39 2.29 0.11 -1.26 -0.57 120.40 116.51 1jfq s VAL 372 Ca 0.32 -0.31 0.02 0.00 -2.93 0.00 0.00 61.98 59.08 1jfq s VAL 372 Cb 0.04 -0.50 0.11 0.00 -1.53 0.00 0.00 36.38 34.50 1jfq s VAL 372 CO 0.11 -0.17 0.13 -0.62 -3.33 0.00 0.00 175.10 171.22 1jfq s ASP 373 N -0.73 4.85 0.55 3.54 -1.08 0.36 -4.98 116.67 119.19 1jfq s ASP 373 Ca -0.08 -2.27 0.23 0.00 -0.52 0.00 0.00 52.55 49.91 1jfq s ASP 373 Cb -0.04 -1.69 1.50 0.00 -1.46 0.00 0.00 42.92 41.23 1jfq s ASP 373 CO 0.02 -0.40 2.15 0.11 0.52 0.00 0.00 175.17 177.57 1jfq h LYS 374 N 7.55 0.00 -0.55 4.34 1.57 -1.95 -0.87 116.57 126.66 1jfq h LYS 374 Ca -0.07 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.62 1jfq h LYS 374 Cb 1.01 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.30 1jfq h LYS 374 CO 0.59 0.00 -0.01 0.77 -0.57 0.00 0.00 179.45 180.23 1jfq h SER 375 N 0.00 0.96 -0.16 0.86 0.02 -1.96 -3.08 113.55 110.19 1jfq h SER 375 Ca 0.05 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1jfq h SER 375 Cb 0.22 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1jfq h SER 375 CO -0.00 1.04 0.00 -1.54 -1.14 0.00 0.00 176.83 175.19 1jfq n SER 376 N -4.24 2.89 -3.44 3.07 3.41 -0.97 -4.99 113.62 109.35 1jfq n SER 376 Ca 0.02 -1.87 -0.19 0.00 -0.26 0.00 0.00 58.87 56.57 1jfq n SER 376 Cb 0.34 -0.10 0.08 0.00 -0.26 0.00 0.00 64.21 64.28 1jfq n SER 376 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1jfq n ASN 377 N 1.17 -3.62 -4.14 4.04 4.13 -0.38 -4.83 115.26 111.64 1jfq n ASN 377 Ca 0.14 -0.58 -0.28 0.00 1.68 0.00 0.00 54.58 55.54 1jfq n ASN 377 Cb 0.51 -5.00 -0.17 0.00 -1.54 0.00 0.00 39.78 33.59 1jfq n ASN 377 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1jfq s THR 378 N -3.34 1.60 -0.05 3.41 2.01 -0.92 -1.10 115.64 117.26 1jfq s THR 378 Ca 0.21 -0.77 -0.02 0.00 0.31 0.00 0.00 61.69 61.41 1jfq s THR 378 Cb -0.09 -1.40 -0.04 0.00 0.01 0.00 0.00 72.50 70.98 1jfq s THR 378 CO 0.71 0.46 0.08 0.00 -0.69 0.00 0.00 174.62 175.18 1jfq s ALA 379 N 0.30 3.61 0.11 7.40 0.00 0.70 -0.48 121.76 133.39 1jfq s ALA 379 Ca -0.12 -0.80 0.06 0.00 0.00 0.00 0.00 51.96 51.11 1jfq s ALA 379 Cb -0.15 -1.66 -0.03 0.00 0.00 0.00 0.00 23.12 21.27 1jfq s ALA 379 CO 0.05 0.66 -0.16 0.71 0.00 0.00 0.00 175.76 177.02 1jfq s TYR 380 N -1.10 1.45 -0.05 0.00 2.02 0.26 -0.21 117.35 119.73 1jfq s TYR 380 Ca 0.19 -0.49 0.01 0.00 -0.37 0.00 0.00 57.07 56.41 1jfq s TYR 380 Cb -0.12 -0.78 0.02 0.00 -0.40 0.00 0.00 41.96 40.68 1jfq s TYR 380 CO 0.09 0.14 -0.03 1.41 -1.57 0.00 0.00 175.55 175.60 1jfq s MET 381 N -2.24 0.74 -0.18 -0.62 -2.45 -0.75 -2.06 119.30 111.73 1jfq s MET 381 Ca 0.06 -0.05 -0.04 0.00 -1.25 0.00 0.00 55.69 54.41 1jfq s MET 381 Cb -0.08 -0.83 -0.02 0.00 1.25 0.00 0.00 34.83 35.16 1jfq s MET 381 CO 0.03 -0.13 -0.04 -1.14 1.05 0.00 0.00 175.02 174.80 1jfq s GLN 382 N 1.11 3.52 -0.02 4.11 0.74 0.40 -1.24 119.66 128.29 1jfq s GLN 382 Ca -0.08 -0.58 0.01 0.00 0.05 0.00 0.00 55.36 54.76 1jfq s GLN 382 Cb -0.14 -2.95 -0.04 0.00 1.10 0.00 0.00 33.01 30.99 1jfq s GLN 382 CO -0.01 0.04 0.00 -0.51 -0.55 0.00 0.00 175.29 174.26 1jfq s LEU 383 N 0.88 3.53 0.18 3.68 2.01 0.33 -1.63 118.68 127.65 1jfq s LEU 383 Ca -0.01 0.02 0.00 0.00 0.01 0.00 0.00 54.13 54.16 1jfq s LEU 383 Cb -0.15 -1.98 -0.04 0.00 0.01 0.00 0.00 46.19 44.03 1jfq s LEU 383 CO 0.01 0.30 0.06 0.00 1.01 0.00 0.00 176.35 177.73 1jfq s ARG 384 N -1.42 1.12 -1.31 1.70 1.70 -0.99 -1.09 118.95 118.65 1jfq s ARG 384 Ca 0.18 -1.56 -0.04 0.00 -0.47 0.00 0.00 55.73 53.84 1jfq s ARG 384 Cb -0.11 -0.02 -0.00 0.00 -0.57 0.00 0.00 34.95 34.24 1jfq s ARG 384 CO 0.09 -0.24 0.60 -1.13 -1.08 0.00 0.00 175.30 173.53 1jfq n SER 385 N -0.24 -1.71 -4.76 -2.89 3.41 -0.96 -4.88 113.62 101.60 1jfq n SER 385 Ca -0.04 -0.94 -0.41 0.00 -0.26 0.00 0.00 58.87 57.22 1jfq n SER 385 Cb 0.64 -3.52 -0.01 0.00 -0.26 0.00 0.00 64.21 61.07 1jfq n SER 385 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1jfq s LEU 386 N -6.73 4.34 0.33 1.04 1.43 -0.56 -4.74 118.68 113.79 1jfq s LEU 386 Ca 0.10 2.95 0.03 0.00 -1.03 0.00 0.00 54.13 56.19 1jfq s LEU 386 Cb -0.03 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 1jfq s LEU 386 CO 0.85 -0.85 0.15 0.42 0.23 0.00 0.00 176.35 177.15 1jfq s THR 387 N -0.61 0.44 0.53 5.49 -4.23 -1.26 -0.58 115.64 115.42 1jfq s THR 387 Ca 0.57 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 59.39 1jfq s THR 387 Cb -0.46 -2.50 0.35 0.00 1.34 0.00 0.00 72.50 71.23 1jfq s THR 387 CO 0.55 0.00 2.21 -1.28 -0.54 0.00 0.00 174.62 175.56 1jfq h SER 388 N 2.12 0.00 -0.01 3.99 0.87 -1.96 -1.19 113.55 117.37 1jfq h SER 388 Ca -0.34 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 1jfq h SER 388 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1jfq h SER 388 CO 0.54 0.04 0.00 -0.62 -0.53 0.00 0.00 176.83 176.26 1jfq n GLU 389 N -3.66 1.14 0.00 2.24 1.02 -1.26 -2.73 120.64 117.39 1jfq n GLU 389 Ca -0.03 -0.21 0.11 0.00 -0.02 0.00 0.00 57.16 57.02 1jfq n GLU 389 Cb 0.13 -1.45 0.07 0.00 -0.02 0.00 0.00 31.44 30.17 1jfq n GLU 389 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1jfq n ASP 390 N -0.70 0.94 -4.66 1.62 8.00 -0.45 -4.86 116.55 116.44 1jfq n ASP 390 Ca 0.21 -0.79 -0.42 0.00 0.71 0.00 0.00 54.79 54.50 1jfq n ASP 390 Cb 0.15 0.60 -0.03 0.00 -0.02 0.00 0.00 41.12 41.83 1jfq n ASP 390 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1jfq s SER 391 N -2.90 6.59 0.05 -2.24 0.01 -1.11 -4.85 113.70 109.25 1jfq s SER 391 Ca 0.12 2.40 -0.25 0.00 1.31 0.00 0.00 55.95 59.52 1jfq s SER 391 Cb 0.17 -2.53 0.08 0.00 0.21 0.00 0.00 66.02 63.95 1jfq s SER 391 CO 0.75 -0.97 1.15 0.00 0.41 0.00 0.00 173.24 174.57 1jfq n ALA 392 N 7.24 -3.16 -2.86 1.44 0.00 -0.47 -4.71 120.51 117.98 1jfq n ALA 392 Ca 0.18 -0.85 -0.34 0.00 0.00 0.00 0.00 53.44 52.43 1jfq n ALA 392 Cb 0.42 0.29 -0.11 0.00 0.00 0.00 0.00 19.45 20.05 1jfq n ALA 392 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1jfq s VAL 393 N -2.04 4.31 -0.15 0.00 1.01 -0.79 0.09 120.40 122.83 1jfq s VAL 393 Ca 0.27 -0.22 -0.00 0.00 0.00 0.00 0.00 61.98 62.02 1jfq s VAL 393 Cb -0.01 -2.89 -0.01 0.00 0.00 0.00 0.00 36.38 33.46 1jfq s VAL 393 CO 0.01 0.50 -0.13 -0.31 0.00 0.00 0.00 175.10 175.18 1jfq s TYR 394 N 0.12 2.82 0.18 5.22 1.51 0.30 -1.69 117.35 125.81 1jfq s TYR 394 Ca 0.02 -0.80 0.08 0.00 -1.01 0.00 0.00 57.07 55.35 1jfq s TYR 394 Cb -0.13 -1.89 -0.04 0.00 -0.11 0.00 0.00 41.96 39.79 1jfq s TYR 394 CO 0.02 -0.33 -0.02 -0.06 -1.11 0.00 0.00 175.55 174.04 1jfq s PHE 395 N 0.63 2.80 0.01 2.71 0.40 -0.17 -0.63 117.98 123.72 1jfq s PHE 395 Ca -0.07 -0.16 0.08 0.00 -0.60 0.00 0.00 56.93 56.19 1jfq s PHE 395 Cb -0.15 -1.36 -0.02 0.00 0.51 0.00 0.00 43.02 41.99 1jfq s PHE 395 CO 0.03 0.52 -0.26 0.00 0.70 0.00 0.00 175.22 176.21 1jfq s ALA 397 N -0.70 0.26 0.03 0.00 0.00 0.26 -0.81 121.76 120.79 1jfq s ALA 397 Ca 0.11 -0.70 -0.15 0.00 0.00 0.00 0.00 51.96 51.22 1jfq s ALA 397 Cb -0.10 0.14 -0.06 0.00 0.00 0.00 0.00 23.12 23.10 1jfq s ALA 397 CO 0.01 -0.15 0.43 0.50 0.00 0.00 0.00 175.76 176.55 1jfq s ARG 398 N -1.76 3.93 -0.02 0.00 3.52 -0.28 0.13 118.95 124.47 1jfq s ARG 398 Ca -0.12 0.43 -0.10 0.00 -0.13 0.00 0.00 55.73 55.81 1jfq s ARG 398 Cb -0.08 -3.18 -0.05 0.00 -1.56 0.00 0.00 34.95 30.08 1jfq s ARG 398 CO -0.02 0.66 0.29 -1.12 -0.81 0.00 0.00 175.30 174.30 1jfq s SER 399 N -1.20 6.58 -0.04 -2.12 0.01 -0.71 -1.29 113.70 114.92 1jfq s SER 399 Ca 0.26 0.69 -0.01 0.00 1.31 0.00 0.00 55.95 58.20 1jfq s SER 399 Cb -0.17 -2.14 0.03 0.00 0.21 0.00 0.00 66.02 63.95 1jfq s SER 399 CO 0.15 0.31 0.02 -1.61 0.41 0.00 0.00 173.24 172.52 1jfq s GLU 400 N -1.36 0.27 0.18 12.44 0.41 -0.53 -4.13 118.70 125.99 1jfq s GLU 400 Ca 0.23 0.18 -0.30 0.00 -0.41 0.00 0.00 54.97 54.67 1jfq s GLU 400 Cb -0.14 -0.62 -0.08 0.00 -1.78 0.00 0.00 34.13 31.50 1jfq s GLU 400 CO 0.12 -0.24 1.30 -0.47 -0.49 0.00 0.00 175.26 175.48 1jfq s TYR 401 N 1.63 3.29 -0.06 1.61 6.14 -1.26 -1.15 117.35 127.54 1jfq s TYR 401 Ca -0.01 1.23 -0.00 0.00 0.64 0.00 0.00 57.07 58.92 1jfq s TYR 401 Cb -0.13 -3.58 0.03 0.00 0.42 0.00 0.00 41.96 38.70 1jfq s TYR 401 CO -0.03 -1.80 -0.01 1.52 0.64 0.00 0.00 175.55 175.87 1jfq s TYR 402 N 0.22 0.62 0.00 4.97 1.13 0.11 -4.94 117.35 119.46 1jfq s TYR 402 Ca 0.57 -0.14 0.00 0.00 -1.41 0.00 0.00 57.07 56.08 1jfq s TYR 402 Cb -0.36 -0.70 0.00 0.00 -1.10 0.00 0.00 41.96 39.81 1jfq s TYR 402 CO 0.37 -0.26 0.00 0.41 -2.51 0.00 0.00 175.55 173.56 1jfq n GLY 403 N 4.70 0.00 0.00 5.49 0.00 -1.26 -0.65 105.19 113.47 1jfq n GLY 403 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1jfq n GLY 403 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jfq n GLY 404 N 0.00 2.52 0.14 -0.02 0.00 -1.26 -5.06 105.19 101.51 1jfq n GLY 404 Ca 0.00 -0.82 -0.00 0.00 0.00 0.00 0.00 46.02 45.20 1jfq n GLY 404 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jfq n SER 405 N 0.00 -0.07 -4.51 1.61 2.88 0.18 -5.18 113.62 108.53 1jfq n SER 405 Ca 0.00 -1.07 -0.25 0.00 -1.33 0.00 0.00 58.87 56.22 1jfq n SER 405 Cb 0.00 0.12 -0.10 0.00 -0.75 0.00 0.00 64.21 63.48 1jfq n SER 405 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1jfq s TYR 406 N -6.66 2.44 0.02 0.66 1.51 -1.26 0.04 117.35 114.09 1jfq s TYR 406 Ca 0.01 -0.30 0.07 0.00 -1.01 0.00 0.00 57.07 55.85 1jfq s TYR 406 Cb -0.00 -1.11 -0.02 0.00 -0.11 0.00 0.00 41.96 40.71 1jfq s TYR 406 CO 0.01 0.62 -0.22 -1.59 -1.11 0.00 0.00 175.55 173.26 1jfq s LYS 407 N -3.26 1.60 -0.86 -0.62 -2.85 -0.30 -4.90 119.74 108.54 1jfq s LYS 407 Ca 0.28 -0.90 -0.19 0.00 -1.00 0.00 0.00 55.97 54.15 1jfq s LYS 407 Cb -0.07 -1.66 0.12 0.00 -2.06 0.00 0.00 37.83 34.17 1jfq s LYS 407 CO 0.15 0.44 1.06 -0.06 0.10 0.00 0.00 175.35 177.04 1jfq s PHE 408 N -0.68 3.05 -0.05 1.78 0.40 -1.26 -1.45 117.98 119.77 1jfq s PHE 408 Ca 0.08 -1.24 0.12 0.00 -0.60 0.00 0.00 56.93 55.30 1jfq s PHE 408 Cb -0.09 -4.26 -0.08 0.00 0.51 0.00 0.00 43.02 39.11 1jfq s PHE 408 CO 0.01 -1.49 1.24 0.38 0.70 0.00 0.00 175.22 176.06 1jfq h ASP 409 N 8.95 0.00 -3.95 1.36 2.03 -1.54 -3.46 116.42 119.82 1jfq h ASP 409 Ca 0.05 0.00 -0.43 0.00 -0.73 0.00 0.00 57.03 55.92 1jfq h ASP 409 Cb 1.04 0.00 -0.30 0.00 -0.83 0.00 0.00 39.33 39.24 1jfq h ASP 409 CO 1.11 0.71 -0.79 -0.31 -1.03 0.00 0.00 179.24 178.93 1jfq s TYR 410 N -2.85 0.98 0.08 4.15 2.02 -1.26 -5.00 117.35 115.48 1jfq s TYR 410 Ca 0.01 -0.22 0.10 0.00 -0.37 0.00 0.00 57.07 56.59 1jfq s TYR 410 Cb 0.09 -0.67 -0.03 0.00 -0.40 0.00 0.00 41.96 40.94 1jfq s TYR 410 CO 0.79 -0.06 -0.26 -1.58 -1.57 0.00 0.00 175.55 172.87 1jfq s TRP 411 N -0.02 2.21 0.77 2.71 0.52 -1.26 -1.12 118.94 122.75 1jfq s TRP 411 Ca 0.00 -0.40 -0.12 0.00 0.02 0.00 0.00 56.10 55.61 1jfq s TRP 411 Cb -0.07 -1.26 0.05 0.00 -1.15 0.00 0.00 33.47 31.05 1jfq s TRP 411 CO 0.00 0.22 1.13 0.20 0.02 0.00 0.00 176.95 178.52 1jfq s GLY 412 N -1.63 1.61 0.11 0.98 0.00 0.01 -4.67 107.32 103.73 1jfq s GLY 412 Ca 0.12 -0.46 0.22 0.00 0.00 0.00 0.00 44.72 44.60 1jfq s GLY 412 CO 0.04 -0.02 1.67 0.61 0.00 0.00 0.00 173.10 175.40 1jfq n GLN 413 N -3.22 0.10 0.00 2.90 0.00 -1.26 -4.71 117.38 111.19 1jfq n GLN 413 Ca 0.07 0.25 0.00 0.00 0.00 0.00 0.00 57.00 57.33 1jfq n GLN 413 Cb 0.59 -1.66 0.00 0.00 0.00 0.00 0.00 30.24 29.17 1jfq n GLN 413 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1jfq n GLY 414 N 0.46 0.16 3.07 2.61 0.00 -1.26 -5.01 105.19 105.21 1jfq n GLY 414 Ca 0.04 -1.56 -0.30 0.00 0.00 0.00 0.00 46.02 44.19 1jfq n GLY 414 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jfq s THR 415 N -2.82 1.69 -0.13 2.61 2.01 0.19 -4.85 115.64 114.34 1jfq s THR 415 Ca 0.00 -0.73 -0.26 0.00 0.31 0.00 0.00 61.69 61.00 1jfq s THR 415 Cb 0.00 -1.55 -0.02 0.00 0.01 0.00 0.00 72.50 70.94 1jfq s THR 415 CO 0.00 0.48 0.87 -0.89 -0.69 0.00 0.00 174.62 174.39 1jfq s THR 416 N 1.21 4.87 -0.28 -0.82 2.01 -1.26 -0.54 115.64 120.82 1jfq s THR 416 Ca -0.00 1.75 -0.07 0.00 0.31 0.00 0.00 61.69 63.68 1jfq s THR 416 Cb -0.14 -4.18 0.00 0.00 0.01 0.00 0.00 72.50 68.19 1jfq s THR 416 CO -0.07 0.05 0.07 -0.22 -0.69 0.00 0.00 174.62 173.76 1jfq s LEU 417 N 1.93 3.69 -0.26 4.42 1.98 0.11 -4.51 118.68 126.04 1jfq s LEU 417 Ca 0.42 -0.58 0.00 0.00 -2.89 0.00 0.00 54.13 51.08 1jfq s LEU 417 Cb -0.17 -1.88 0.04 0.00 0.66 0.00 0.00 46.19 44.84 1jfq s LEU 417 CO 0.15 -0.15 -0.08 -0.89 -1.89 0.00 0.00 176.35 173.49 1jfq s THR 418 N 1.52 2.53 -0.34 3.68 2.01 0.10 -1.37 115.64 123.77 1jfq s THR 418 Ca 0.04 -1.34 -0.15 0.00 0.31 0.00 0.00 61.69 60.55 1jfq s THR 418 Cb -0.16 -2.38 -0.01 0.00 0.01 0.00 0.00 72.50 69.95 1jfq s THR 418 CO 0.02 0.08 0.34 -0.69 -0.69 0.00 0.00 174.62 173.68 1jfq s VAL 419 N 1.22 5.19 0.14 3.82 1.01 -1.26 -1.62 120.40 128.90 1jfq s VAL 419 Ca -0.04 0.03 -0.17 0.00 0.00 0.00 0.00 61.98 61.80 1jfq s VAL 419 Cb -0.18 -3.80 0.04 0.00 0.00 0.00 0.00 36.38 32.44 1jfq s VAL 419 CO -0.05 -0.06 0.44 -0.94 0.00 0.00 0.00 175.10 174.49 1jfq s SER 420 N 1.73 -0.28 0.06 3.32 1.04 0.62 -4.80 113.70 115.38 1jfq s SER 420 Ca 0.11 -0.29 0.24 0.00 0.48 0.00 0.00 55.95 56.49 1jfq s SER 420 Cb -0.17 0.50 0.30 0.00 0.10 0.00 0.00 66.02 66.75 1jfq s SER 420 CO 0.11 -0.89 1.26 -1.54 0.98 0.00 0.00 173.24 173.16 1jfq n SER 421 N -0.26 0.62 -4.73 7.02 3.41 -1.26 -4.06 113.62 114.36 1jfq n SER 421 Ca -0.16 -0.10 -0.35 0.00 -0.26 0.00 0.00 58.87 58.00 1jfq n SER 421 Cb 0.64 0.38 0.07 0.00 -0.26 0.00 0.00 64.21 65.05 1jfq n SER 421 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jfq s ALA 422 N -3.12 2.27 0.34 7.33 0.00 -1.26 -5.05 121.76 122.26 1jfq s ALA 422 Ca 0.07 0.96 0.08 0.00 0.00 0.00 0.00 51.96 53.07 1jfq s ALA 422 Cb 0.15 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 1jfq s ALA 422 CO 0.74 -1.65 0.15 0.20 0.00 0.00 0.00 175.76 175.20 1jfq s GLY 423 N -1.84 1.95 0.09 0.00 0.00 -1.26 -5.06 107.32 101.20 1jfq s GLY 423 Ca 0.76 -1.83 -0.31 0.00 0.00 0.00 0.00 44.72 43.34 1jfq s GLY 423 CO 0.41 -1.76 1.87 2.41 0.00 0.00 0.00 173.10 176.04 1jfq n THR 424 N -1.16 0.47 -3.76 0.90 -1.04 -1.26 -4.61 114.28 103.82 1jfq n THR 424 Ca -0.03 -0.08 -0.15 0.00 -2.04 0.00 0.00 64.05 61.75 1jfq n THR 424 Cb 0.61 -2.14 -0.15 0.00 -1.82 0.00 0.00 70.33 66.83 1jfq n THR 424 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1jfq s THR 425 N 3.20 -0.06 0.54 12.58 2.01 0.18 -4.94 115.64 129.15 1jfq s THR 425 Ca 0.84 0.21 -0.16 0.00 0.31 0.00 0.00 61.69 62.89 1jfq s THR 425 Cb -0.49 -0.15 -0.07 0.00 0.01 0.00 0.00 72.50 71.80 1jfq s THR 425 CO 0.40 0.09 1.01 -2.16 -0.69 0.00 0.00 174.62 173.26 1jfq s PRO 426 N 1.16 3.75 0.73 4.92 0.04 -1.26 -0.62 135.00 143.72 1jfq s PRO 426 Ca -0.09 1.05 -0.12 0.00 0.04 0.00 0.00 61.00 61.89 1jfq s PRO 426 Cb -0.12 -2.10 0.03 0.00 0.04 0.00 0.00 34.50 32.35 1jfq s PRO 426 CO -0.04 -0.44 1.11 -1.25 0.04 0.00 0.00 177.00 176.41 1jfq s PRO 427 N -4.03 2.62 -0.23 0.56 0.04 -1.26 -4.48 135.00 128.22 1jfq s PRO 427 Ca 0.61 0.44 -0.06 0.00 0.04 0.00 0.00 61.00 62.03 1jfq s PRO 427 Cb -0.12 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 1jfq s PRO 427 CO 0.32 -1.20 0.02 -1.12 0.04 0.00 0.00 177.00 175.06 1jfq s SER 428 N -4.32 4.80 -0.22 6.66 0.01 -0.50 -4.92 113.70 115.21 1jfq s SER 428 Ca 0.59 -0.26 -0.09 0.00 1.31 0.00 0.00 55.95 57.50 1jfq s SER 428 Cb -0.12 -1.84 -0.04 0.00 0.21 0.00 0.00 66.02 64.23 1jfq s SER 428 CO 0.52 -0.00 0.12 -0.69 0.41 0.00 0.00 173.24 173.59 1jfq s VAL 429 N 1.41 5.06 -0.12 3.43 1.01 -1.26 -0.87 120.40 129.06 1jfq s VAL 429 Ca 0.05 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.11 1jfq s VAL 429 Cb -0.15 -3.33 0.02 0.00 0.00 0.00 0.00 36.38 32.92 1jfq s VAL 429 CO 0.01 0.39 -0.15 -0.31 0.00 0.00 0.00 175.10 175.03 1jfq s TYR 430 N 0.87 2.06 0.27 5.22 2.02 0.65 -4.96 117.35 123.47 1jfq s TYR 430 Ca 0.06 -1.02 -0.29 0.00 -0.37 0.00 0.00 57.07 55.45 1jfq s TYR 430 Cb -0.13 -1.49 -0.09 0.00 -0.40 0.00 0.00 41.96 39.85 1jfq s TYR 430 CO 0.03 -0.53 1.19 -1.25 -1.57 0.00 0.00 175.55 173.42 1jfq s PRO 431 N 1.11 4.51 -0.29 -1.71 0.04 -1.26 -1.09 135.00 136.30 1jfq s PRO 431 Ca -0.04 1.96 0.01 0.00 0.04 0.00 0.00 61.00 62.97 1jfq s PRO 431 Cb -0.14 -3.16 0.06 0.00 0.04 0.00 0.00 34.50 31.30 1jfq s PRO 431 CO -0.04 0.01 -0.04 -0.51 0.04 0.00 0.00 177.00 176.46 1jfq s LEU 432 N -1.24 3.84 -0.01 -3.56 1.02 -0.05 -4.93 118.68 113.75 1jfq s LEU 432 Ca 0.48 -1.47 -0.02 0.00 0.02 0.00 0.00 54.13 53.14 1jfq s LEU 432 Cb -0.35 -1.63 -0.04 0.00 0.02 0.00 0.00 46.19 44.19 1jfq s LEU 432 CO 0.44 -0.25 0.17 0.00 0.02 0.00 0.00 176.35 176.72 1jfq s ALA 433 N 1.14 3.90 0.16 4.21 0.00 -1.26 -1.88 121.76 128.02 1jfq s ALA 433 Ca -0.05 -0.78 -0.34 0.00 0.00 0.00 0.00 51.96 50.79 1jfq s ALA 433 Cb -0.20 -1.83 -0.15 0.00 0.00 0.00 0.00 23.12 20.94 1jfq s ALA 433 CO -0.04 0.74 1.40 -2.30 0.00 0.00 0.00 175.76 175.56 1jfq n PRO 434 N 0.98 1.68 -0.73 0.00 -0.02 -1.26 -4.93 135.00 130.73 1jfq n PRO 434 Ca -0.11 0.60 -0.09 0.00 -2.02 0.00 0.00 63.50 61.88 1jfq n PRO 434 Cb 0.53 -2.27 0.06 0.00 -0.02 0.00 0.00 33.50 31.80 1jfq n PRO 434 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jfq n GLY 435 N 2.64 -0.90 0.00 -1.23 0.00 -1.26 -4.71 105.19 99.73 1jfq n GLY 435 Ca 0.16 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1jfq n GLY 435 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jfq n SER 436 N -3.22 0.00 -4.91 1.61 7.64 -1.26 -4.40 113.62 109.08 1jfq n SER 436 Ca 0.05 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.65 1jfq n SER 436 Cb 0.19 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.47 1jfq n SER 436 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jfq s ALA 437 N 0.00 2.83 -0.62 -0.43 0.00 -1.26 -4.89 121.76 117.38 1jfq s ALA 437 Ca 0.00 -0.71 -0.31 0.00 0.00 0.00 0.00 51.96 50.94 1jfq s ALA 437 Cb 0.00 -2.85 -0.14 0.00 0.00 0.00 0.00 23.12 20.13 1jfq s ALA 437 CO 0.00 -1.52 2.44 0.00 0.00 0.00 0.00 175.76 176.68 1jfq n ALA 438 N -3.17 0.69 -2.66 0.00 0.00 -1.26 -4.87 120.51 109.23 1jfq n ALA 438 Ca 0.08 -0.45 -0.43 0.00 0.00 0.00 0.00 53.44 52.64 1jfq n ALA 438 Cb 0.61 -2.68 -0.06 0.00 0.00 0.00 0.00 19.45 17.31 1jfq n ALA 438 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1jfq s GLN 439 N 7.90 3.22 0.02 0.00 0.74 -1.26 -4.91 119.66 125.37 1jfq s GLN 439 Ca 1.15 -0.58 0.00 0.00 0.05 0.00 0.00 55.36 55.98 1jfq s GLN 439 Cb -0.76 -4.04 0.00 0.00 1.10 0.00 0.00 33.01 29.31 1jfq s GLN 439 CO 0.41 -1.23 0.00 2.41 -0.55 0.00 0.00 175.29 176.33 1jfq n THR 440 N 5.84 -0.08 -4.87 -0.34 -1.04 -1.26 -4.73 114.28 107.80 1jfq n THR 440 Ca -0.03 0.04 -0.27 0.00 -2.04 0.00 0.00 64.05 61.76 1jfq n THR 440 Cb 0.47 -0.07 -0.15 0.00 -1.82 0.00 0.00 70.33 68.76 1jfq n THR 440 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1jfq s ASN 441 N -3.39 2.44 0.00 8.00 -0.87 -1.26 -4.86 114.94 115.00 1jfq s ASN 441 Ca 0.00 -0.43 0.00 0.00 -1.57 0.00 0.00 52.86 50.86 1jfq s ASN 441 Cb 0.00 -0.25 0.00 0.00 -0.02 0.00 0.00 41.25 40.98 1jfq s ASN 441 CO 0.00 0.22 0.00 -1.20 -2.57 0.00 0.00 177.10 173.55 1jfq n SER 442 N 2.30 0.00 -4.66 -1.22 7.64 -1.26 -4.77 113.62 111.65 1jfq n SER 442 Ca -0.16 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.45 1jfq n SER 442 Cb 0.53 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.65 1jfq n SER 442 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1jfq s MET 443 N 0.00 2.42 -0.04 1.43 -1.94 -1.26 -0.43 119.30 119.48 1jfq s MET 443 Ca 0.00 -1.04 0.04 0.00 -1.71 0.00 0.00 55.69 52.98 1jfq s MET 443 Cb 0.00 -2.40 -0.00 0.00 2.01 0.00 0.00 34.83 34.44 1jfq s MET 443 CO 0.00 0.48 -0.17 0.08 -0.01 0.00 0.00 175.02 175.40 1jfq s VAL 444 N -1.60 1.40 -0.21 -6.03 1.01 0.32 -4.68 120.40 110.61 1jfq s VAL 444 Ca 0.27 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.48 1jfq s VAL 444 Cb -0.10 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 1jfq s VAL 444 CO 0.18 0.40 0.01 -0.89 0.00 0.00 0.00 175.10 174.81 1jfq s THR 445 N -0.03 4.07 0.26 3.92 2.01 -1.26 -0.75 115.64 123.85 1jfq s THR 445 Ca -0.02 -0.27 0.10 0.00 0.31 0.00 0.00 61.69 61.80 1jfq s THR 445 Cb -0.11 -2.85 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 1jfq s THR 445 CO 0.02 0.42 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.60 1jfq s LEU 446 N 1.03 3.19 0.29 4.42 1.43 0.10 -4.43 118.68 124.73 1jfq s LEU 446 Ca 0.02 -0.64 -0.00 0.00 -1.03 0.00 0.00 54.13 52.48 1jfq s LEU 446 Cb -0.14 -1.72 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 1jfq s LEU 446 CO 0.02 0.00 0.33 -0.83 0.23 0.00 0.00 176.35 176.10 1jfq s GLY 447 N -3.65 1.62 -0.19 -3.19 0.00 -0.79 -0.62 107.32 100.50 1jfq s GLY 447 Ca 0.31 -1.66 -0.08 0.00 0.00 0.00 0.00 44.72 43.30 1jfq s GLY 447 CO 0.20 -1.20 0.41 0.00 0.00 0.00 0.00 173.10 172.51 1jfq s LEU 449 N 2.27 3.71 -0.40 0.00 1.98 -0.25 -1.67 118.68 124.33 1jfq s LEU 449 Ca -0.04 -0.06 -0.03 0.00 -2.89 0.00 0.00 54.13 51.11 1jfq s LEU 449 Cb -0.11 -1.99 0.10 0.00 0.66 0.00 0.00 46.19 44.86 1jfq s LEU 449 CO -0.13 0.03 0.19 -0.69 -1.89 0.00 0.00 176.35 173.87 1jfq s VAL 450 N 1.23 3.32 -0.08 1.68 1.01 -0.10 -0.26 120.40 127.19 1jfq s VAL 450 Ca 0.05 -1.96 -0.00 0.00 0.00 0.00 0.00 61.98 60.07 1jfq s VAL 450 Cb -0.14 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 1jfq s VAL 450 CO 0.04 -0.63 -0.06 -0.75 0.00 0.00 0.00 175.10 173.70 1jfq s LYS 451 N 1.17 2.91 -1.17 2.72 2.20 -0.05 -0.68 119.74 126.83 1jfq s LYS 451 Ca 0.07 -0.53 -0.01 0.00 -0.36 0.00 0.00 55.97 55.13 1jfq s LYS 451 Cb -0.23 -2.65 -0.01 0.00 -1.51 0.00 0.00 37.83 33.43 1jfq s LYS 451 CO -0.04 0.60 0.98 0.41 -0.36 0.00 0.00 175.35 176.94 1jfq n GLY 452 N 2.42 -0.51 3.67 5.54 0.00 0.01 -1.41 105.19 114.91 1jfq n GLY 452 Ca -0.18 0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 1jfq n GLY 452 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1jfq s TYR 453 N -3.37 2.64 -0.28 1.61 1.13 -0.93 -4.56 117.35 113.59 1jfq s TYR 453 Ca 0.08 -0.35 -0.20 0.00 -1.41 0.00 0.00 57.07 55.19 1jfq s TYR 453 Cb -0.01 -1.44 0.12 0.00 -1.10 0.00 0.00 41.96 39.53 1jfq s TYR 453 CO 0.73 0.48 0.94 0.12 -2.51 0.00 0.00 175.55 175.31 1jfq s PHE 454 N -2.43 -0.61 0.32 -3.49 5.36 0.21 -1.15 117.98 116.20 1jfq s PHE 454 Ca 0.35 1.33 -0.01 0.00 -0.96 0.00 0.00 56.93 57.63 1jfq s PHE 454 Cb -0.03 0.39 0.07 0.00 -0.34 0.00 0.00 43.02 43.10 1jfq s PHE 454 CO 0.21 -0.30 0.44 -0.35 -1.46 0.00 0.00 175.22 173.76 1jfq n PRO 455 N 3.14 0.14 -2.53 10.12 -0.04 -1.26 0.49 135.00 145.05 1jfq n PRO 455 Ca -0.16 -1.08 -0.33 0.00 -0.04 0.00 0.00 63.50 61.89 1jfq n PRO 455 Cb 0.57 -0.34 -0.04 0.00 -0.04 0.00 0.00 33.50 33.65 1jfq n PRO 455 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1jfq s GLU 456 N -3.66 3.93 0.53 0.54 0.41 -1.26 -4.74 118.70 114.46 1jfq s GLU 456 Ca 0.28 1.14 0.03 0.00 -0.41 0.00 0.00 54.97 56.01 1jfq s GLU 456 Cb -0.01 -2.13 0.03 0.00 -1.78 0.00 0.00 34.13 30.23 1jfq s GLU 456 CO 0.19 -0.29 0.21 -0.35 -0.49 0.00 0.00 175.26 174.53 1jfq n PRO 457 N -1.18 0.71 -4.33 0.39 -0.04 -1.26 -4.96 135.00 124.34 1jfq n PRO 457 Ca 0.08 -3.59 -0.23 0.00 -0.04 0.00 0.00 63.50 59.71 1jfq n PRO 457 Cb 0.54 0.67 -0.12 0.00 -0.04 0.00 0.00 33.50 34.55 1jfq n PRO 457 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1jfq s VAL 458 N -2.80 1.86 -0.08 0.52 -7.23 -1.26 -4.39 120.40 107.02 1jfq s VAL 458 Ca 0.16 -1.83 0.04 0.00 -1.81 0.00 0.00 61.98 58.54 1jfq s VAL 458 Cb -0.01 -1.81 -0.01 0.00 0.56 0.00 0.00 36.38 35.11 1jfq s VAL 458 CO 0.10 -0.22 -0.21 0.42 -0.31 0.00 0.00 175.10 174.88 1jfq s THR 459 N -1.76 2.35 -0.05 5.32 -4.23 -0.13 -4.94 115.64 112.20 1jfq s THR 459 Ca 0.14 -0.94 0.04 0.00 -1.18 0.00 0.00 61.69 59.75 1jfq s THR 459 Cb -0.07 -1.90 -0.02 0.00 1.34 0.00 0.00 72.50 71.85 1jfq s THR 459 CO 0.06 0.56 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.84 1jfq s VAL 460 N 0.01 2.81 0.04 2.29 1.01 -1.26 -0.85 120.40 124.44 1jfq s VAL 460 Ca -0.07 -0.81 -0.05 0.00 0.00 0.00 0.00 61.98 61.04 1jfq s VAL 460 Cb -0.15 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 1jfq s VAL 460 CO 0.05 0.58 0.09 0.28 0.00 0.00 0.00 175.10 176.10 1jfq s THR 461 N -0.56 0.14 -0.07 3.92 -1.32 0.37 -4.99 115.64 113.13 1jfq s THR 461 Ca 0.08 -1.12 0.04 0.00 -1.21 0.00 0.00 61.69 59.48 1jfq s THR 461 Cb -0.11 -0.91 -0.01 0.00 -1.51 0.00 0.00 72.50 69.95 1jfq s THR 461 CO 0.01 -0.62 -0.21 0.26 -2.21 0.00 0.00 174.62 171.85 1jfq s TRP 462 N -2.66 2.56 -1.49 9.09 0.52 -1.26 -0.18 118.94 125.52 1jfq s TRP 462 Ca -0.05 -0.62 -0.05 0.00 0.02 0.00 0.00 56.10 55.40 1jfq s TRP 462 Cb -0.01 -1.65 0.04 0.00 -1.15 0.00 0.00 33.47 30.70 1jfq s TRP 462 CO -0.05 -0.15 0.53 0.09 0.02 0.00 0.00 176.95 177.39 1jfq n ASN 463 N 2.96 -1.25 -1.43 2.95 3.02 -0.23 0.31 115.26 121.60 1jfq n ASN 463 Ca -0.18 -1.00 -0.18 0.00 -0.03 0.00 0.00 54.58 53.19 1jfq n ASN 463 Cb 0.52 -3.00 -0.08 0.00 -0.61 0.00 0.00 39.78 36.62 1jfq n ASN 463 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1jfq n SER 464 N -2.90 -5.27 0.00 6.41 7.64 -1.26 -1.28 113.62 116.96 1jfq n SER 464 Ca -0.20 0.44 0.00 0.00 1.01 0.00 0.00 58.87 60.13 1jfq n SER 464 Cb 0.63 -4.52 0.00 0.00 -1.01 0.00 0.00 64.21 59.31 1jfq n SER 464 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jfq n GLY 465 N -0.24 0.02 0.26 0.23 0.00 0.15 -4.91 105.19 100.69 1jfq n GLY 465 Ca -0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.96 1jfq n GLY 465 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1jfq h SER 466 N 0.00 0.00 -3.46 1.61 0.02 -1.13 -3.34 113.55 107.26 1jfq h SER 466 Ca 0.00 0.00 -0.75 0.00 -0.84 0.00 0.00 61.79 60.20 1jfq h SER 466 Cb 0.00 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 62.26 1jfq h SER 466 CO 0.00 0.12 -0.22 -0.22 -1.14 0.00 0.00 176.83 175.38 1jfq s LEU 467 N -7.37 6.06 -0.04 5.07 2.96 -1.09 -4.85 118.68 119.41 1jfq s LEU 467 Ca -0.03 -2.17 0.08 0.00 -0.22 0.00 0.00 54.13 51.79 1jfq s LEU 467 Cb 0.13 -2.10 -0.12 0.00 0.50 0.00 0.00 46.19 44.60 1jfq s LEU 467 CO 0.59 -0.68 0.13 -1.54 -1.32 0.00 0.00 176.35 173.53 1jfq n SER 468 N 4.63 2.95 -4.77 3.68 3.41 -1.25 -4.23 113.62 118.03 1jfq n SER 468 Ca -0.03 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.19 1jfq n SER 468 Cb 0.42 1.11 -0.06 0.00 -0.26 0.00 0.00 64.21 65.42 1jfq n SER 468 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1jfq s SER 469 N -3.45 7.23 0.00 4.04 0.01 -1.26 -3.99 113.70 116.28 1jfq s SER 469 Ca -0.04 1.46 0.00 0.00 1.31 0.00 0.00 55.95 58.69 1jfq s SER 469 Cb 0.04 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.82 1jfq s SER 469 CO 0.36 0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.74 1jfq n GLY 470 N 2.04 1.06 3.78 3.44 0.00 -1.26 -4.67 105.19 109.59 1jfq n GLY 470 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 1jfq n GLY 470 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jfq s VAL 471 N -3.09 4.36 -0.06 1.61 -7.23 -1.26 -3.14 120.40 111.59 1jfq s VAL 471 Ca 0.00 1.67 -0.01 0.00 -1.81 0.00 0.00 61.98 61.83 1jfq s VAL 471 Cb 0.00 -4.08 0.03 0.00 0.56 0.00 0.00 36.38 32.89 1jfq s VAL 471 CO 0.00 0.40 0.02 -1.00 -0.31 0.00 0.00 175.10 174.21 1jfq s HIS 472 N -1.30 0.50 -0.19 2.82 3.76 -0.15 -4.97 115.29 115.76 1jfq s HIS 472 Ca 0.40 -0.05 -0.02 0.00 -0.15 0.00 0.00 55.06 55.24 1jfq s HIS 472 Cb -0.21 -0.70 -0.00 0.00 1.11 0.00 0.00 32.58 32.78 1jfq s HIS 472 CO 0.25 -0.28 -0.10 0.99 -0.85 0.00 0.00 174.74 174.75 1jfq s THR 473 N 1.96 2.94 0.17 1.30 2.01 -1.26 -0.51 115.64 122.25 1jfq s THR 473 Ca 0.04 -0.65 -0.19 0.00 0.31 0.00 0.00 61.69 61.20 1jfq s THR 473 Cb -0.12 -2.30 -0.08 0.00 0.01 0.00 0.00 72.50 70.02 1jfq s THR 473 CO -0.04 0.47 0.66 -0.36 -0.69 0.00 0.00 174.62 174.66 1jfq s PHE 474 N 1.23 3.70 0.20 4.92 0.40 0.12 -5.00 117.98 123.56 1jfq s PHE 474 Ca 0.03 1.32 -0.32 0.00 -0.60 0.00 0.00 56.93 57.36 1jfq s PHE 474 Cb -0.14 -2.56 -0.14 0.00 0.51 0.00 0.00 43.02 40.69 1jfq s PHE 474 CO -0.04 0.42 1.32 -2.30 0.70 0.00 0.00 175.22 175.32 1jfq n PRO 475 N 1.02 1.67 -1.99 0.24 -0.02 -1.26 -4.31 135.00 130.35 1jfq n PRO 475 Ca -0.05 0.60 -0.40 0.00 -2.02 0.00 0.00 63.50 61.63 1jfq n PRO 475 Cb 0.51 -2.20 -0.01 0.00 -0.02 0.00 0.00 33.50 31.79 1jfq n PRO 475 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jfq s ALA 476 N -0.05 3.38 -0.06 3.55 0.00 -1.26 -4.86 121.76 122.46 1jfq s ALA 476 Ca 0.71 1.33 0.03 0.00 0.00 0.00 0.00 51.96 54.03 1jfq s ALA 476 Cb -0.74 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 18.84 1jfq s ALA 476 CO 0.50 -0.86 -0.15 0.08 0.00 0.00 0.00 175.76 175.33 1jfq s VAL 477 N -1.20 2.95 -0.26 0.00 1.01 0.57 -4.90 120.40 118.57 1jfq s VAL 477 Ca 0.54 -0.75 -0.29 0.00 0.00 0.00 0.00 61.98 61.48 1jfq s VAL 477 Cb -0.41 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 33.82 1jfq s VAL 477 CO 0.54 0.58 1.04 -0.22 0.00 0.00 0.00 175.10 177.04 1jfq s LEU 478 N -0.49 4.04 0.00 3.92 2.96 -1.26 -1.11 118.68 126.75 1jfq s LEU 478 Ca 0.06 1.25 0.00 0.00 -0.22 0.00 0.00 54.13 55.23 1jfq s LEU 478 Cb -0.12 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.05 1jfq s LEU 478 CO 0.02 -0.74 0.00 0.00 -1.32 0.00 0.00 176.35 174.31 1jfq n GLN 479 N 6.49 0.00 -2.10 1.98 -0.00 0.12 -4.85 117.38 119.02 1jfq n GLN 479 Ca 0.12 0.00 -0.42 0.00 -0.00 0.00 0.00 57.00 56.69 1jfq n GLN 479 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.71 1jfq n GLN 479 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1jfq n SER 480 N 0.00 4.62 0.00 2.61 7.64 -1.26 -4.25 113.62 122.98 1jfq n SER 480 Ca 0.00 -3.01 0.00 0.00 1.01 0.00 0.00 58.87 56.87 1jfq n SER 480 Cb 0.00 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 61.65 1jfq n SER 480 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1jfq n ASP 481 N 4.75 -4.36 -4.21 6.43 8.00 -1.26 -4.98 116.55 120.91 1jfq n ASP 481 Ca 0.44 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.74 1jfq n ASP 481 Cb 0.37 -1.96 -0.12 0.00 -0.02 0.00 0.00 41.12 39.39 1jfq n ASP 481 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1jfq s LEU 482 N 0.00 2.27 0.27 0.64 1.43 -1.26 -4.67 118.68 117.36 1jfq s LEU 482 Ca 0.00 -0.62 -0.11 0.00 -1.03 0.00 0.00 54.13 52.37 1jfq s LEU 482 Cb 0.00 -0.65 -0.08 0.00 0.03 0.00 0.00 46.19 45.49 1jfq s LEU 482 CO 0.00 -0.02 0.61 -0.31 0.23 0.00 0.00 176.35 176.86 1jfq s TYR 483 N -1.19 3.42 -0.01 0.29 2.02 -0.30 0.14 117.35 121.72 1jfq s TYR 483 Ca 0.01 0.96 0.00 0.00 -0.37 0.00 0.00 57.07 57.67 1jfq s TYR 483 Cb -0.10 -2.33 0.01 0.00 -0.40 0.00 0.00 41.96 39.14 1jfq s TYR 483 CO 0.03 0.20 -0.01 0.99 -1.57 0.00 0.00 175.55 175.19 1jfq s THR 484 N -1.90 0.13 0.23 -0.71 2.01 -0.26 -0.81 115.64 114.32 1jfq s THR 484 Ca 0.49 -0.02 -0.08 0.00 0.31 0.00 0.00 61.69 62.39 1jfq s THR 484 Cb -0.11 -0.14 -0.02 0.00 0.01 0.00 0.00 72.50 72.24 1jfq s THR 484 CO 0.21 0.06 0.34 -1.48 -0.69 0.00 0.00 174.62 173.06 1jfq s LEU 485 N 0.23 0.69 0.17 4.42 0.05 0.14 -0.32 118.68 124.06 1jfq s LEU 485 Ca -0.02 -1.14 -0.09 0.00 0.05 0.00 0.00 54.13 52.93 1jfq s LEU 485 Cb -0.04 1.19 -0.01 0.00 -2.05 0.00 0.00 46.19 45.28 1jfq s LEU 485 CO -0.01 -1.03 0.29 -0.94 -0.55 0.00 0.00 176.35 174.12 1jfq s SER 486 N -3.09 0.03 -0.05 1.48 1.04 -1.26 -0.92 113.70 110.92 1jfq s SER 486 Ca 0.30 -0.86 -0.10 0.00 0.48 0.00 0.00 55.95 55.77 1jfq s SER 486 Cb 0.02 0.44 0.02 0.00 0.10 0.00 0.00 66.02 66.60 1jfq s SER 486 CO 0.11 -0.90 0.24 -0.55 0.98 0.00 0.00 173.24 173.12 1jfq s SER 487 N -2.96 -0.18 0.16 7.02 0.15 -0.67 -0.70 113.70 116.52 1jfq s SER 487 Ca 0.17 0.24 0.06 0.00 0.70 0.00 0.00 55.95 57.12 1jfq s SER 487 Cb 0.03 0.40 -0.04 0.00 -1.71 0.00 0.00 66.02 64.69 1jfq s SER 487 CO -0.00 -0.24 -0.14 -0.94 1.20 0.00 0.00 173.24 173.12 1jfq s SER 488 N -0.57 2.20 -0.02 5.45 1.04 0.33 -1.14 113.70 120.99 1jfq s SER 488 Ca -0.07 -0.92 -0.03 0.00 0.48 0.00 0.00 55.95 55.41 1jfq s SER 488 Cb -0.04 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.00 1jfq s SER 488 CO 0.02 -0.18 0.07 0.54 0.98 0.00 0.00 173.24 174.66 1jfq s VAL 489 N -2.65 0.02 -0.22 5.02 0.11 0.21 -0.98 120.40 121.91 1jfq s VAL 489 Ca 0.15 -0.16 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 1jfq s VAL 489 Cb -0.02 -0.15 0.03 0.00 -1.53 0.00 0.00 36.38 34.71 1jfq s VAL 489 CO 0.04 -0.09 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.69 1jfq s THR 490 N -0.24 2.32 0.18 5.04 2.01 -1.19 0.02 115.64 123.79 1jfq s THR 490 Ca -0.03 -1.13 0.11 0.00 0.31 0.00 0.00 61.69 60.95 1jfq s THR 490 Cb -0.02 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.31 1jfq s THR 490 CO 0.00 0.31 -0.20 0.68 -0.69 0.00 0.00 174.62 174.72 1jfq s VAL 491 N 1.26 2.58 0.68 3.82 -7.23 0.07 -4.74 120.40 116.83 1jfq s VAL 491 Ca 0.00 -1.91 -0.15 0.00 -1.81 0.00 0.00 61.98 58.11 1jfq s VAL 491 Cb -0.16 -2.24 0.01 0.00 0.56 0.00 0.00 36.38 34.55 1jfq s VAL 491 CO -0.09 -0.10 1.16 -2.84 -0.31 0.00 0.00 175.10 172.92 1jfq s PRO 492 N -2.67 2.57 0.26 4.82 0.02 -1.26 0.12 135.00 138.86 1jfq s PRO 492 Ca 0.21 1.58 0.17 0.00 0.02 0.00 0.00 61.00 62.99 1jfq s PRO 492 Cb -0.08 -1.90 0.94 0.00 0.02 0.00 0.00 34.50 33.48 1jfq s PRO 492 CO 0.11 -1.46 1.53 0.43 -0.33 0.00 0.00 177.00 177.27 1jfq n SER 493 N -2.43 0.45 -0.03 2.53 7.64 0.43 -2.29 113.62 119.92 1jfq n SER 493 Ca 0.12 0.71 -0.10 0.00 1.01 0.00 0.00 58.87 60.60 1jfq n SER 493 Cb 0.51 -0.76 -0.04 0.00 -1.01 0.00 0.00 64.21 62.91 1jfq n SER 493 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1jfq h SER 494 N 0.00 0.20 0.00 6.43 0.02 -1.88 -3.40 113.55 114.92 1jfq h SER 494 Ca 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1jfq h SER 494 Cb 0.03 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1jfq h SER 494 CO 0.00 0.16 0.00 -2.65 -1.14 0.00 0.00 176.83 173.20 1jfq n PRO 495 N -4.96 0.00 -2.38 3.45 -0.02 -0.97 -4.64 135.00 125.48 1jfq n PRO 495 Ca -0.04 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.04 1jfq n PRO 495 Cb 0.03 -0.74 -0.04 0.00 -0.02 0.00 0.00 33.50 32.73 1jfq n PRO 495 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1jfq s ARG 496 N -0.55 4.56 -0.30 -0.52 3.00 -1.25 0.13 118.95 124.02 1jfq s ARG 496 Ca 0.00 1.90 0.10 0.00 -1.00 0.00 0.00 55.73 56.73 1jfq s ARG 496 Cb 0.00 -3.17 0.73 0.00 0.00 0.00 0.00 34.95 32.51 1jfq s ARG 496 CO 0.00 0.09 1.76 -0.35 0.00 0.00 0.00 175.30 176.80 1jfq n PRO 497 N 1.26 3.77 0.11 5.12 -0.04 -1.26 -4.83 135.00 139.13 1jfq n PRO 497 Ca -0.00 -2.94 -0.01 0.00 -0.04 0.00 0.00 63.50 60.51 1jfq n PRO 497 Cb 0.44 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 1jfq n PRO 497 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1jfq h SER 498 N 2.73 0.00 -3.90 3.54 4.64 -0.48 -3.43 113.55 116.65 1jfq h SER 498 Ca 0.23 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.86 1jfq h SER 498 Cb 2.24 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 64.12 1jfq h SER 498 CO 0.69 0.68 -0.79 -1.61 -0.87 0.00 0.00 176.83 174.93 1jfq s GLU 499 N -2.94 2.11 0.04 4.77 2.02 0.35 -5.08 118.70 119.96 1jfq s GLU 499 Ca 0.02 -0.97 -0.29 0.00 0.02 0.00 0.00 54.97 53.76 1jfq s GLU 499 Cb 0.09 -2.22 -0.04 0.00 0.10 0.00 0.00 34.13 32.05 1jfq s GLU 499 CO 0.77 0.54 0.91 0.99 0.02 0.00 0.00 175.26 178.50 1jfq s THR 500 N -0.96 4.74 -0.15 3.63 2.01 -1.26 -3.91 115.64 119.75 1jfq s THR 500 Ca 0.15 1.94 0.01 0.00 0.31 0.00 0.00 61.69 64.11 1jfq s THR 500 Cb -0.11 -4.26 0.02 0.00 0.01 0.00 0.00 72.50 68.16 1jfq s THR 500 CO 0.06 0.25 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.36 1jfq s VAL 501 N 0.50 1.90 0.00 3.82 1.01 -1.26 -4.96 120.40 121.40 1jfq s VAL 501 Ca 0.47 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.64 1jfq s VAL 501 Cb -0.21 -1.71 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 1jfq s VAL 501 CO 0.27 0.52 -0.14 -0.89 0.00 0.00 0.00 175.10 174.86 1jfq s THR 502 N 1.14 1.10 -0.18 3.92 2.01 -1.26 -0.56 115.64 121.81 1jfq s THR 502 Ca -0.00 -0.68 -0.08 0.00 0.31 0.00 0.00 61.69 61.24 1jfq s THR 502 Cb -0.14 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.39 1jfq s THR 502 CO -0.08 0.24 0.09 0.00 -0.69 0.00 0.00 174.62 174.19 1jfq s ASN 504 N 0.18 4.26 -0.08 0.00 -0.87 0.75 -1.04 114.94 118.14 1jfq s ASN 504 Ca 0.07 -0.41 0.04 0.00 -1.57 0.00 0.00 52.86 50.98 1jfq s ASN 504 Cb -0.12 -1.73 -0.01 0.00 -0.02 0.00 0.00 41.25 39.37 1jfq s ASN 504 CO -0.00 -0.02 -0.21 0.68 -2.57 0.00 0.00 177.10 174.97 1jfq s VAL 505 N 1.47 2.35 -0.07 1.60 -7.23 -0.56 -0.48 120.40 117.49 1jfq s VAL 505 Ca 0.06 -0.94 0.04 0.00 -1.81 0.00 0.00 61.98 59.32 1jfq s VAL 505 Cb -0.14 -1.90 -0.02 0.00 0.56 0.00 0.00 36.38 34.88 1jfq s VAL 505 CO -0.04 0.56 -0.18 0.00 -0.31 0.00 0.00 175.10 175.14 1jfq s ALA 506 N 0.05 2.49 -0.54 1.32 0.00 -0.03 -1.77 121.76 123.28 1jfq s ALA 506 Ca -0.09 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 50.92 1jfq s ALA 506 Cb -0.15 -0.91 0.14 0.00 0.00 0.00 0.00 23.12 22.20 1jfq s ALA 506 CO 0.06 0.45 0.32 -1.58 0.00 0.00 0.00 175.76 175.01 1jfq s HIS 507 N -0.35 2.79 0.20 0.00 2.46 -0.01 -0.95 115.29 119.43 1jfq s HIS 507 Ca 0.03 -2.94 -0.15 0.00 0.47 0.00 0.00 55.06 52.47 1jfq s HIS 507 Cb -0.12 -2.39 0.19 0.00 -0.13 0.00 0.00 32.58 30.12 1jfq s HIS 507 CO 0.02 -0.71 1.63 -1.35 -2.47 0.00 0.00 174.74 171.87 1jfq h PRO 508 N 6.23 -0.02 -1.17 2.88 0.11 -1.81 -1.56 132.00 136.67 1jfq h PRO 508 Ca 0.02 0.00 0.33 0.00 0.11 0.00 0.00 66.00 66.46 1jfq h PRO 508 Cb 0.87 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.90 1jfq h PRO 508 CO 0.61 -0.01 0.79 0.00 -0.21 0.00 0.00 178.00 179.18 1jfq h ALA 509 N 1.50 2.71 -0.26 -0.75 0.00 -1.91 0.14 119.26 120.71 1jfq h ALA 509 Ca 0.27 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1jfq h ALA 509 Cb 0.43 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1jfq h ALA 509 CO -0.59 -1.12 0.00 -1.13 0.00 0.00 0.00 179.25 176.41 1jfq n SER 510 N -4.43 2.74 -3.18 0.00 3.41 -0.73 -4.97 113.62 106.45 1jfq n SER 510 Ca 0.28 -2.06 -0.22 0.00 -0.26 0.00 0.00 58.87 56.60 1jfq n SER 510 Cb 1.14 -0.19 0.01 0.00 -0.26 0.00 0.00 64.21 64.90 1jfq n SER 510 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1jfq n SER 511 N 0.20 -4.55 -4.79 4.04 7.64 0.50 -4.96 113.62 111.70 1jfq n SER 511 Ca 0.09 -0.31 -0.35 0.00 1.01 0.00 0.00 58.87 59.31 1jfq n SER 511 Cb 0.41 -3.73 -0.07 0.00 -1.01 0.00 0.00 64.21 59.81 1jfq n SER 511 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1jfq s THR 512 N -2.99 4.92 -0.03 0.44 2.01 -0.96 -4.98 115.64 114.05 1jfq s THR 512 Ca 0.34 -0.12 0.01 0.00 0.31 0.00 0.00 61.69 62.23 1jfq s THR 512 Cb -0.17 -3.16 0.02 0.00 0.01 0.00 0.00 72.50 69.20 1jfq s THR 512 CO 0.42 0.53 -0.02 -0.54 -0.69 0.00 0.00 174.62 174.31 1jfq s LYS 513 N -1.22 0.45 -0.03 4.92 1.02 -1.26 -0.83 119.74 122.79 1jfq s LYS 513 Ca 0.17 -0.03 0.01 0.00 0.02 0.00 0.00 55.97 56.15 1jfq s LYS 513 Cb -0.12 -0.53 0.02 0.00 -0.52 0.00 0.00 37.83 36.68 1jfq s LYS 513 CO 0.07 -0.06 -0.05 0.08 -0.92 0.00 0.00 175.35 174.47 1jfq s VAL 514 N 0.70 0.48 -0.17 3.17 1.01 -0.73 -5.01 120.40 119.85 1jfq s VAL 514 Ca -0.08 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.76 1jfq s VAL 514 Cb -0.11 -0.49 0.00 0.00 0.00 0.00 0.00 36.38 35.79 1jfq s VAL 514 CO -0.01 0.19 -0.15 -1.81 0.00 0.00 0.00 175.10 173.32 1jfq s ASP 515 N 0.61 3.60 -0.15 3.32 1.01 -1.26 -1.49 116.67 122.31 1jfq s ASP 515 Ca -0.08 -0.50 0.00 0.00 0.71 0.00 0.00 52.55 52.68 1jfq s ASP 515 Cb -0.11 -1.56 0.03 0.00 1.01 0.00 0.00 42.92 42.29 1jfq s ASP 515 CO -0.00 0.06 -0.10 -0.54 0.21 0.00 0.00 175.17 174.79 1jfq s LYS 516 N 0.98 1.91 0.08 8.23 -0.14 -0.21 -4.97 119.74 125.62 1jfq s LYS 516 Ca -0.02 -0.54 -0.25 0.00 -1.36 0.00 0.00 55.97 53.80 1jfq s LYS 516 Cb -0.15 -2.03 -0.06 0.00 -1.68 0.00 0.00 37.83 33.91 1jfq s LYS 516 CO -0.03 -0.32 0.77 0.21 -0.76 0.00 0.00 175.35 175.22 1jfq s LYS 517 N 1.55 4.51 -0.28 1.68 2.20 -1.26 -0.06 119.74 128.07 1jfq s LYS 517 Ca 0.03 1.08 -0.22 0.00 -0.36 0.00 0.00 55.97 56.50 1jfq s LYS 517 Cb -0.14 -3.33 -0.01 0.00 -1.51 0.00 0.00 37.83 32.84 1jfq s LYS 517 CO -0.09 0.37 0.73 0.42 -0.36 0.00 0.00 175.35 176.41 1jfq s ILE 518 N -0.37 4.88 0.29 5.43 -1.09 0.28 -4.88 121.20 125.73 1jfq s ILE 518 Ca 0.38 1.21 0.11 0.00 -2.23 0.00 0.00 60.65 60.12 1jfq s ILE 518 Cb -0.21 -4.05 -0.05 0.00 -1.58 0.00 0.00 42.46 36.56 1jfq s ILE 518 CO 0.24 -0.11 -0.18 0.68 -1.23 0.00 0.00 174.94 174.33 1jfq s VAL 519 N 2.75 2.42 0.44 2.92 -7.23 -1.26 -4.65 120.40 115.79 1jfq s VAL 519 Ca 0.30 -2.37 -0.25 0.00 -1.81 0.00 0.00 61.98 57.85 1jfq s VAL 519 Cb -0.15 -2.34 -0.09 0.00 0.56 0.00 0.00 36.38 34.36 1jfq s VAL 519 CO 0.10 -0.38 1.29 -2.65 -0.31 0.00 0.00 175.10 173.15 1jfq n PRO 520 N -0.64 1.92 0.00 4.82 -0.02 -1.26 -4.70 135.00 135.12 1jfq n PRO 520 Ca -0.05 0.69 0.11 0.00 -2.02 0.00 0.00 63.50 62.22 1jfq n PRO 520 Cb 0.61 -2.43 0.63 0.00 -0.02 0.00 0.00 33.50 32.29 1jfq n PRO 520 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02