#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p4k s THR 302 N 0.00 0.60 -0.56 12.58 2.01 -1.26 -4.97 115.64 124.05 1p4k s THR 302 Ca 0.00 -0.17 -0.18 0.00 0.31 0.00 0.00 61.69 61.64 1p4k s THR 302 Cb 0.00 -0.61 0.09 0.00 0.01 0.00 0.00 72.50 71.99 1p4k s THR 302 CO 0.00 0.24 0.64 0.21 -0.69 0.00 0.00 174.62 175.01 1p4k s ASN 303 N 0.82 6.19 -0.07 3.53 2.47 -0.33 -5.00 114.94 122.56 1p4k s ASN 303 Ca -0.12 -1.33 -0.26 0.00 0.42 0.00 0.00 52.86 51.57 1p4k s ASN 303 Cb -0.14 -2.28 0.06 0.00 -1.45 0.00 0.00 41.25 37.43 1p4k s ASN 303 CO 0.01 -1.00 0.58 -1.59 -3.72 0.00 0.00 177.10 171.38 1p4k s LYS 304 N 2.47 0.91 0.75 0.43 -2.85 -1.26 -4.19 119.74 116.00 1p4k s LYS 304 Ca 0.11 0.23 -0.11 0.00 -1.00 0.00 0.00 55.97 55.20 1p4k s LYS 304 Cb -0.24 0.43 0.04 0.00 -2.06 0.00 0.00 37.83 36.00 1p4k s LYS 304 CO 0.07 -0.26 1.08 -2.14 0.10 0.00 0.00 175.35 174.20 1p4k s PRO 305 N -1.01 2.47 -0.15 1.78 0.02 -1.26 -4.88 135.00 131.96 1p4k s PRO 305 Ca -0.10 1.05 -0.22 0.00 0.02 0.00 0.00 61.00 61.75 1p4k s PRO 305 Cb -0.02 -1.93 0.05 0.00 0.02 0.00 0.00 34.50 32.63 1p4k s PRO 305 CO 0.07 -1.46 0.56 -1.50 -0.33 0.00 0.00 177.00 174.35 1p4k s ILE 306 N -2.97 0.01 0.00 2.83 2.07 -0.51 -4.04 121.20 118.59 1p4k s ILE 306 Ca 0.60 -0.07 0.01 0.00 -1.41 0.00 0.00 60.65 59.78 1p4k s ILE 306 Cb -0.16 -0.82 -0.00 0.00 0.13 0.00 0.00 42.46 41.61 1p4k s ILE 306 CO 0.56 -0.04 -0.02 0.54 -1.91 0.00 0.00 174.94 174.07 1p4k s VAL 307 N -0.26 0.16 0.05 4.00 0.11 -0.30 -0.88 120.40 123.28 1p4k s VAL 307 Ca -0.04 -0.15 0.06 0.00 -2.93 0.00 0.00 61.98 58.92 1p4k s VAL 307 Cb -0.03 -0.16 -0.02 0.00 -1.53 0.00 0.00 36.38 34.64 1p4k s VAL 307 CO 0.03 0.01 -0.18 -0.76 -3.33 0.00 0.00 175.10 170.87 1p4k s LEU 308 N -0.15 2.18 0.07 2.54 1.02 -0.22 -0.52 118.68 123.60 1p4k s LEU 308 Ca -0.00 -0.52 -0.10 0.00 0.02 0.00 0.00 54.13 53.54 1p4k s LEU 308 Cb -0.01 -0.82 0.00 0.00 0.02 0.00 0.00 46.19 45.38 1p4k s LEU 308 CO -0.00 0.10 0.21 -0.94 0.02 0.00 0.00 176.35 175.74 1p4k s SER 309 N -1.24 0.05 0.30 2.29 1.04 -0.51 -1.50 113.70 114.14 1p4k s SER 309 Ca 0.05 -0.49 -0.25 0.00 0.48 0.00 0.00 55.95 55.73 1p4k s SER 309 Cb -0.09 0.33 -0.10 0.00 0.10 0.00 0.00 66.02 66.27 1p4k s SER 309 CO 0.02 -0.66 0.91 0.42 0.98 0.00 0.00 173.24 174.91 1p4k s THR 310 N -3.26 4.26 0.26 2.02 -4.23 -0.79 -1.21 115.64 112.69 1p4k s THR 310 Ca 0.00 1.76 0.00 0.00 -1.18 0.00 0.00 61.69 62.27 1p4k s THR 310 Cb 0.02 -4.01 0.00 0.00 1.34 0.00 0.00 72.50 69.85 1p4k s THR 310 CO -0.08 0.18 0.00 0.79 -0.54 0.00 0.00 174.62 174.97 1p4k n TRP 311 N 0.65 -2.03 -0.34 3.99 7.02 -0.58 -3.59 117.44 122.55 1p4k n TRP 311 Ca 0.01 1.06 -0.00 0.00 -1.02 0.00 0.00 57.50 57.55 1p4k n TRP 311 Cb 0.50 -1.85 0.16 0.00 -2.42 0.00 0.00 31.31 27.70 1p4k n TRP 311 CO 0.00 0.00 0.00 -0.91 -2.02 0.00 0.00 177.69 174.76 1p4k h ASN 312 N -0.75 1.07 0.27 -0.99 -0.26 -1.93 -1.22 115.58 111.76 1p4k h ASN 312 Ca -0.04 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.68 1p4k h ASN 312 Cb 0.73 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 37.74 1p4k h ASN 312 CO 0.03 0.75 0.00 2.22 -1.06 0.00 0.00 177.43 179.37 1p4k n PHE 313 N -4.41 0.00 0.28 1.19 -0.00 -1.26 -1.35 117.46 111.90 1p4k n PHE 313 Ca 0.12 0.00 0.16 0.00 -0.00 0.00 0.00 57.45 57.73 1p4k n PHE 313 Cb 0.05 -0.44 0.74 0.00 -0.00 0.00 0.00 39.48 39.83 1p4k n PHE 313 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1p4k h GLY 314 N 1.52 0.00 0.85 4.97 0.00 -1.27 -2.54 103.07 106.59 1p4k h GLY 314 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1p4k h GLY 314 CO 0.00 0.00 0.03 -2.00 0.00 0.00 0.00 176.54 174.57 1p4k h LEU 315 N 0.00 0.34 -0.48 3.11 5.85 -1.38 -0.28 115.31 122.47 1p4k h LEU 315 Ca -0.00 -0.26 -0.15 0.00 0.84 0.00 0.00 57.88 58.30 1p4k h LEU 315 Cb 0.44 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1p4k h LEU 315 CO 0.01 0.52 -0.41 0.45 -0.34 0.00 0.00 178.44 178.66 1p4k h HIS 316 N 0.16 0.96 -0.75 1.25 -0.00 -1.70 -2.95 115.15 112.11 1p4k h HIS 316 Ca 0.07 -0.29 -0.02 0.00 -0.00 0.00 0.00 60.37 60.12 1p4k h HIS 316 Cb 0.32 -0.20 -0.04 0.00 -0.00 0.00 0.00 27.41 27.50 1p4k h HIS 316 CO 0.02 1.07 0.39 0.00 -0.00 0.00 0.00 177.93 179.41 1p4k h ALA 317 N 0.88 1.28 -0.42 2.45 0.00 -1.38 -2.40 119.26 119.67 1p4k h ALA 317 Ca 0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1p4k h ALA 317 Cb 0.98 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1p4k h ALA 317 CO 0.09 0.57 0.18 -0.91 0.00 0.00 0.00 179.25 179.19 1p4k h ASN 318 N 1.05 0.54 -0.79 0.00 4.21 -0.88 -2.13 115.58 117.58 1p4k h ASN 318 Ca 0.26 -0.05 0.00 0.00 1.21 0.00 0.00 56.30 57.72 1p4k h ASN 318 Cb 0.06 -0.14 -0.04 0.00 -1.12 0.00 0.00 38.32 37.09 1p4k h ASN 318 CO -0.04 0.48 0.51 0.58 -1.29 0.00 0.00 177.43 177.67 1p4k h VAL 319 N 0.60 1.21 -0.42 2.81 2.07 -1.33 0.17 116.25 121.35 1p4k h VAL 319 Ca 0.15 -0.40 -0.07 0.00 0.82 0.00 0.00 66.70 67.20 1p4k h VAL 319 Cb 0.10 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 1p4k h VAL 319 CO -0.02 0.20 -0.01 -0.33 0.02 0.00 0.00 177.57 177.44 1p4k h GLU 320 N 1.07 0.76 -0.49 1.57 4.39 -1.38 -2.72 114.58 117.77 1p4k h GLU 320 Ca 0.29 -0.25 -0.05 0.00 0.34 0.00 0.00 59.36 59.69 1p4k h GLU 320 Cb -0.10 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 1p4k h GLU 320 CO -0.06 0.84 0.09 0.00 -1.16 0.00 0.00 179.01 178.72 1p4k h ALA 321 N 0.89 1.24 0.00 3.43 0.00 -1.08 -2.49 119.26 121.25 1p4k h ALA 321 Ca 0.12 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1p4k h ALA 321 Cb 0.50 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1p4k h ALA 321 CO 0.02 0.52 -0.23 2.35 0.00 0.00 0.00 179.25 181.91 1p4k h TRP 322 N 0.73 0.00 -0.59 0.00 2.91 -0.44 -1.15 115.95 117.41 1p4k h TRP 322 Ca 0.16 0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.21 1p4k h TRP 322 Cb 0.31 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 28.93 1p4k h TRP 322 CO 0.02 0.23 0.39 0.87 -1.03 0.00 0.00 178.44 178.92 1p4k h LYS 323 N 0.00 0.69 0.00 2.65 1.57 -1.14 0.23 116.57 120.57 1p4k h LYS 323 Ca -0.00 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1p4k h LYS 323 Cb 0.50 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1p4k h LYS 323 CO 0.03 0.46 -0.25 0.28 -0.57 0.00 0.00 179.45 179.40 1p4k h VAL 324 N 0.71 1.04 -0.89 0.50 2.07 -1.45 -3.35 116.25 114.87 1p4k h VAL 324 Ca 0.23 -1.86 0.06 0.00 0.82 0.00 0.00 66.70 65.95 1p4k h VAL 324 Cb 0.04 2.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.79 1p4k h VAL 324 CO -0.06 0.35 0.56 -0.07 0.02 0.00 0.00 177.57 178.37 1p4k h LEU 325 N -1.00 0.90 -1.24 2.57 3.38 -1.08 -0.19 115.31 118.65 1p4k h LEU 325 Ca -0.06 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1p4k h LEU 325 Cb 0.75 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1p4k h LEU 325 CO -0.03 0.58 0.00 0.77 0.09 0.00 0.00 178.44 179.85 1p4k h SER 326 N 1.04 0.00 -0.42 -0.43 4.64 -0.73 -1.51 113.55 116.13 1p4k h SER 326 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1p4k h SER 326 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1p4k h SER 326 CO -0.16 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.09 1p4k n LYS 327 N -2.67 2.36 -0.74 4.77 4.76 -0.78 -4.91 118.16 120.94 1p4k n LYS 327 Ca 0.01 -2.07 0.00 0.00 -2.87 0.00 0.00 58.31 53.38 1p4k n LYS 327 Cb 0.24 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.95 1p4k n LYS 327 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1p4k n GLY 328 N 1.44 0.62 3.65 0.72 0.00 -0.57 -5.04 105.19 106.00 1p4k n GLY 328 Ca 0.19 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1p4k n GLY 328 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1p4k s GLY 329 N -2.08 1.59 0.34 -0.02 0.00 -0.15 -4.78 107.32 102.22 1p4k s GLY 329 Ca 0.00 -0.08 -0.28 0.00 0.00 0.00 0.00 44.72 44.37 1p4k s GLY 329 CO 0.00 0.49 1.19 0.54 0.00 0.00 0.00 173.10 175.32 1p4k s LYS 330 N -4.79 4.32 0.35 2.90 1.02 -1.26 -4.56 119.74 117.72 1p4k s LYS 330 Ca 0.65 1.94 0.04 0.00 0.02 0.00 0.00 55.97 58.63 1p4k s LYS 330 Cb -0.20 -2.95 0.69 0.00 -0.52 0.00 0.00 37.83 34.85 1p4k s LYS 330 CO 0.59 -0.12 1.98 0.00 -0.92 0.00 0.00 175.35 176.88 1p4k h ALA 331 N 3.21 1.62 -0.38 5.17 0.00 -1.91 -1.50 119.26 125.47 1p4k h ALA 331 Ca -0.48 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.42 1p4k h ALA 331 Cb 1.22 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1p4k h ALA 331 CO 0.65 0.30 0.21 1.25 0.00 0.00 0.00 179.25 181.66 1p4k h LEU 332 N 0.81 0.33 -0.72 0.00 5.85 -1.91 -0.84 115.31 118.84 1p4k h LEU 332 Ca 0.27 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.90 1p4k h LEU 332 Cb 0.08 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1p4k h LEU 332 CO -0.08 0.24 -0.13 0.44 -0.34 0.00 0.00 178.44 178.58 1p4k h ASP 333 N 0.43 0.85 -0.30 1.25 3.32 -1.80 -2.61 116.42 117.57 1p4k h ASP 333 Ca 0.16 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 1p4k h ASP 333 Cb 0.03 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 1p4k h ASP 333 CO -0.09 0.99 0.11 0.00 -1.72 0.00 0.00 179.24 178.53 1p4k h ALA 334 N 1.09 0.39 -0.06 3.45 0.00 -0.71 -0.97 119.26 122.46 1p4k h ALA 334 Ca 0.12 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1p4k h ALA 334 Cb 0.64 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1p4k h ALA 334 CO 0.04 -0.00 -0.54 -0.39 0.00 0.00 0.00 179.25 178.36 1p4k h VAL 335 N 0.33 1.37 -0.07 0.00 -1.51 -1.18 -0.18 116.25 115.01 1p4k h VAL 335 Ca 0.10 -1.84 -0.01 0.00 -1.23 0.00 0.00 66.70 63.72 1p4k h VAL 335 Cb 0.20 1.93 -0.00 0.00 -2.13 0.00 0.00 31.29 31.28 1p4k h VAL 335 CO -0.01 0.54 0.00 -0.08 -1.23 0.00 0.00 177.57 176.79 1p4k h GLU 336 N 0.12 0.12 -0.74 5.19 4.81 -1.32 -2.25 114.58 120.52 1p4k h GLU 336 Ca 0.00 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1p4k h GLU 336 Cb 0.99 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.32 1p4k h GLU 336 CO 0.08 0.38 0.48 -0.22 -0.73 0.00 0.00 179.01 179.00 1p4k h LYS 337 N -0.16 0.95 -0.13 1.92 3.64 -1.06 -1.61 116.57 120.13 1p4k h LYS 337 Ca 0.02 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1p4k h LYS 337 Cb 0.32 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1p4k h LYS 337 CO 0.00 0.63 0.08 0.78 -2.27 0.00 0.00 179.45 178.68 1p4k h GLY 338 N 0.98 0.18 2.00 5.01 0.00 -0.92 -2.99 103.07 107.34 1p4k h GLY 338 Ca 0.27 -0.07 -0.09 0.00 0.00 0.00 0.00 47.33 47.44 1p4k h GLY 338 CO -0.07 0.07 -0.45 -0.39 0.00 0.00 0.00 176.54 175.70 1p4k h VAL 339 N 0.16 0.85 -0.09 4.60 -1.51 -1.33 -2.99 116.25 115.95 1p4k h VAL 339 Ca 0.05 -1.95 -0.00 0.00 -1.23 0.00 0.00 66.70 63.56 1p4k h VAL 339 Cb -0.00 2.24 -0.00 0.00 -2.13 0.00 0.00 31.29 31.39 1p4k h VAL 339 CO -0.01 0.44 0.04 0.03 -1.23 0.00 0.00 177.57 176.84 1p4k h ARG 340 N 0.00 0.12 -0.87 5.19 3.08 -1.15 -1.57 114.38 119.18 1p4k h ARG 340 Ca -0.00 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.08 1p4k h ARG 340 Cb 1.20 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 31.17 1p4k h ARG 340 CO 0.06 0.10 0.55 1.25 -1.07 0.00 0.00 179.97 180.86 1p4k h LEU 341 N 0.12 0.89 -0.18 3.04 5.85 -1.40 -0.92 115.31 122.71 1p4k h LEU 341 Ca 0.03 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.53 1p4k h LEU 341 Cb 0.02 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 40.87 1p4k h LEU 341 CO -0.00 0.60 -0.89 0.58 -0.34 0.00 0.00 178.44 178.39 1p4k h VAL 342 N 1.04 1.34 -0.96 1.05 2.07 -1.45 -2.80 116.25 116.54 1p4k h VAL 342 Ca 0.36 -2.23 0.01 0.00 0.82 0.00 0.00 66.70 65.66 1p4k h VAL 342 Cb 0.08 2.25 -0.05 0.00 -1.52 0.00 0.00 31.29 32.05 1p4k h VAL 342 CO -0.14 0.68 0.64 -0.33 0.02 0.00 0.00 177.57 178.44 1p4k h GLU 343 N 0.35 1.25 0.00 1.57 5.08 -0.95 -2.47 114.58 119.41 1p4k h GLU 343 Ca -0.08 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 1p4k h GLU 343 Cb 1.51 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1p4k h GLU 343 CO 0.16 0.83 -0.23 -0.44 -1.00 0.00 0.00 179.01 178.33 1p4k h ASP 344 N 1.29 0.00 -3.27 1.42 3.32 -1.10 0.92 116.42 118.99 1p4k h ASP 344 Ca 0.36 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.85 1p4k h ASP 344 Cb -0.13 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.35 1p4k h ASP 344 CO -0.08 0.23 0.97 -0.62 -1.72 0.00 0.00 179.24 178.02 1p4k s ASP 345 N -6.21 6.48 0.60 6.45 -1.08 -0.93 -4.86 116.67 117.12 1p4k s ASP 345 Ca 0.00 0.16 0.34 0.00 -0.52 0.00 0.00 52.55 52.54 1p4k s ASP 345 Cb 0.10 -2.55 1.94 0.00 -1.46 0.00 0.00 42.92 40.95 1p4k s ASP 345 CO 0.64 -1.45 2.25 -0.65 0.52 0.00 0.00 175.17 176.48 1p4k h PRO 346 N 9.50 0.00 -0.00 4.34 0.11 -1.85 -1.72 132.00 142.39 1p4k h PRO 346 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1p4k h PRO 346 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1p4k h PRO 346 CO 1.18 0.02 -0.07 0.25 -0.21 0.00 0.00 178.00 179.17 1p4k n THR 347 N -3.54 0.00 -3.15 -1.15 -2.24 -1.26 -4.40 114.28 98.54 1p4k n THR 347 Ca -0.03 -0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.30 1p4k n THR 347 Cb 0.11 -0.37 -0.04 0.00 -2.10 0.00 0.00 70.33 67.93 1p4k n THR 347 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1p4k s GLU 348 N -2.90 3.07 0.00 -0.78 0.41 -0.65 -4.93 118.70 112.93 1p4k s GLU 348 Ca 0.17 -1.45 0.20 0.00 -0.41 0.00 0.00 54.97 53.47 1p4k s GLU 348 Cb 0.19 -4.30 1.17 0.00 -1.78 0.00 0.00 34.13 29.41 1p4k s GLU 348 CO 0.54 -1.50 1.63 0.54 -0.49 0.00 0.00 175.26 175.98 1p4k n ARG 349 N 6.05 0.81 -0.14 1.61 5.12 -1.26 -3.42 116.66 125.43 1p4k n ARG 349 Ca -0.08 0.00 0.06 0.00 -1.93 0.00 0.00 57.85 55.89 1p4k n ARG 349 Cb 0.42 -1.37 0.08 0.00 -1.16 0.00 0.00 32.46 30.43 1p4k n ARG 349 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1p4k n SER 350 N -0.87 1.64 -3.69 0.55 7.64 -1.26 -1.23 113.62 116.39 1p4k n SER 350 Ca 0.15 -2.53 -0.14 0.00 1.01 0.00 0.00 58.87 57.35 1p4k n SER 350 Cb 0.07 -0.28 -0.14 0.00 -1.01 0.00 0.00 64.21 62.85 1p4k n SER 350 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1p4k s VAL 351 N -1.76 -0.22 0.00 0.44 1.01 -1.22 -1.12 120.40 117.53 1p4k s VAL 351 Ca 0.18 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.40 1p4k s VAL 351 Cb 0.15 -0.37 0.00 0.00 0.00 0.00 0.00 36.38 36.16 1p4k s VAL 351 CO 0.02 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.83 1p4k n GLY 352 N 4.85 2.77 3.68 4.51 0.00 -1.26 -4.31 105.19 115.42 1p4k n GLY 352 Ca -0.15 -0.09 -0.45 0.00 0.00 0.00 0.00 46.02 45.33 1p4k n GLY 352 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1p4k n TYR 353 N 14.00 2.42 -0.22 1.61 9.36 0.32 -0.99 117.16 143.65 1p4k n TYR 353 Ca 0.00 0.08 0.00 0.00 3.32 0.00 0.00 57.90 61.30 1p4k n TYR 353 Cb 0.00 -2.63 0.00 0.00 -0.63 0.00 0.00 39.34 36.08 1p4k n TYR 353 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1p4k n GLY 354 N 3.89 0.94 3.77 2.98 0.00 -1.09 -3.69 105.19 111.99 1p4k n GLY 354 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1p4k n GLY 354 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1p4k s GLY 355 N -1.68 2.94 0.25 -0.02 0.00 -0.16 -4.39 107.32 104.26 1p4k s GLY 355 Ca 0.00 1.41 -0.30 0.00 0.00 0.00 0.00 44.72 45.83 1p4k s GLY 355 CO 0.00 2.04 1.39 0.50 0.00 0.00 0.00 173.10 177.03 1p4k s ARG 356 N -2.16 4.31 0.96 2.90 0.52 -0.37 -4.88 118.95 120.23 1p4k s ARG 356 Ca 0.55 2.23 -0.12 0.00 -0.52 0.00 0.00 55.73 57.87 1p4k s ARG 356 Cb -0.43 -3.12 0.16 0.00 0.52 0.00 0.00 34.95 32.08 1p4k s ARG 356 CO 0.56 -0.35 1.12 -1.25 0.02 0.00 0.00 175.30 175.40 1p4k s PRO 357 N -0.52 0.77 1.17 3.54 0.04 -1.26 -4.68 135.00 134.07 1p4k s PRO 357 Ca 0.57 0.38 -0.20 0.00 0.04 0.00 0.00 61.00 61.80 1p4k s PRO 357 Cb -0.40 -1.79 0.28 0.00 0.04 0.00 0.00 34.50 32.63 1p4k s PRO 357 CO 0.43 -2.47 1.18 0.16 0.04 0.00 0.00 177.00 176.35 1p4k s ASP 358 N -3.76 1.22 0.08 6.66 3.84 0.26 -0.74 116.67 124.23 1p4k s ASP 358 Ca 0.65 0.41 0.12 0.00 -0.00 0.00 0.00 52.55 53.73 1p4k s ASP 358 Cb -0.17 -0.51 0.55 0.00 -1.38 0.00 0.00 42.92 41.42 1p4k s ASP 358 CO 0.55 -3.92 1.38 -2.11 -0.00 0.00 0.00 175.17 171.08 1p4k n ARG 359 N -4.59 0.05 -0.04 2.11 1.85 0.37 -1.31 116.66 115.10 1p4k n ARG 359 Ca 0.15 0.40 0.12 0.00 -1.00 0.00 0.00 57.85 57.53 1p4k n ARG 359 Cb 0.60 -1.62 0.28 0.00 -1.05 0.00 0.00 32.46 30.67 1p4k n ARG 359 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1p4k n ASP 360 N -1.71 2.43 0.00 2.89 8.00 -1.26 -4.94 116.55 121.96 1p4k n ASP 360 Ca 0.02 -1.81 0.00 0.00 0.71 0.00 0.00 54.79 53.71 1p4k n ASP 360 Cb 0.11 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 1p4k n ASP 360 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1p4k n GLY 361 N 1.29 0.74 3.74 0.44 0.00 -0.43 -5.06 105.19 105.91 1p4k n GLY 361 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1p4k n GLY 361 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p4k s ARG 362 N -0.49 4.18 -0.36 1.61 0.52 -1.26 -4.80 118.95 118.36 1p4k s ARG 362 Ca 0.00 -0.10 -0.23 0.00 -0.52 0.00 0.00 55.73 54.87 1p4k s ARG 362 Cb 0.00 -3.41 0.01 0.00 0.52 0.00 0.00 34.95 32.07 1p4k s ARG 362 CO 0.00 0.30 0.80 0.08 0.02 0.00 0.00 175.30 176.50 1p4k s VAL 363 N 0.32 4.73 -0.11 3.52 1.01 -1.26 -0.58 120.40 128.04 1p4k s VAL 363 Ca 0.11 0.94 0.03 0.00 0.00 0.00 0.00 61.98 63.07 1p4k s VAL 363 Cb -0.12 -4.21 0.01 0.00 0.00 0.00 0.00 36.38 32.06 1p4k s VAL 363 CO 0.00 -0.42 -0.21 0.42 0.00 0.00 0.00 175.10 174.89 1p4k s THR 364 N 3.11 1.88 0.16 3.92 -4.23 -1.26 -4.45 115.64 114.77 1p4k s THR 364 Ca 0.32 -0.90 0.05 0.00 -1.18 0.00 0.00 61.69 59.98 1p4k s THR 364 Cb -0.13 -1.65 -0.04 0.00 1.34 0.00 0.00 72.50 72.02 1p4k s THR 364 CO 0.16 0.52 0.11 -0.76 -0.54 0.00 0.00 174.62 174.11 1p4k s LEU 365 N 0.59 3.73 0.02 4.79 1.43 0.45 -4.50 118.68 125.18 1p4k s LEU 365 Ca -0.14 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 52.83 1p4k s LEU 365 Cb -0.17 -2.35 -0.01 0.00 0.03 0.00 0.00 46.19 43.69 1p4k s LEU 365 CO 0.04 0.08 -0.09 -1.81 0.23 0.00 0.00 176.35 174.80 1p4k s ASP 366 N -3.01 1.06 -0.09 2.29 1.01 -0.62 -1.38 116.67 115.93 1p4k s ASP 366 Ca 0.30 -0.31 -0.30 0.00 0.71 0.00 0.00 52.55 52.95 1p4k s ASP 366 Cb -0.10 -0.07 0.11 0.00 1.01 0.00 0.00 42.92 43.88 1p4k s ASP 366 CO 0.22 0.01 0.94 0.00 0.21 0.00 0.00 175.17 176.55 1p4k s ALA 367 N -0.62 -1.88 0.10 5.23 0.00 -0.25 -1.31 121.76 123.03 1p4k s ALA 367 Ca -0.00 1.34 -0.09 0.00 0.00 0.00 0.00 51.96 53.21 1p4k s ALA 367 Cb -0.06 -0.19 -0.00 0.00 0.00 0.00 0.00 23.12 22.87 1p4k s ALA 367 CO 0.00 -0.47 0.21 0.00 0.00 0.00 0.00 175.76 175.50 1p4k s ILE 369 N -3.88 0.11 -0.12 0.00 2.07 -0.11 -1.45 121.20 117.82 1p4k s ILE 369 Ca 0.07 -0.89 -0.07 0.00 -1.41 0.00 0.00 60.65 58.35 1p4k s ILE 369 Cb 0.05 -0.54 0.04 0.00 0.13 0.00 0.00 42.46 42.14 1p4k s ILE 369 CO -0.09 -0.49 0.29 -0.32 -1.91 0.00 0.00 174.94 172.42 1p4k s MET 370 N -1.81 0.28 0.00 3.50 -2.45 -0.77 -2.11 119.30 115.94 1p4k s MET 370 Ca -0.12 0.56 0.00 0.00 -1.25 0.00 0.00 55.69 54.88 1p4k s MET 370 Cb -0.06 -0.04 0.00 0.00 1.25 0.00 0.00 34.83 35.98 1p4k s MET 370 CO -0.01 -0.13 0.00 -0.40 1.05 0.00 0.00 175.02 175.53 1p4k n ASP 371 N 3.94 0.00 -0.22 1.11 5.75 -0.92 -1.41 116.55 124.81 1p4k n ASP 371 Ca -0.22 -0.17 0.12 0.00 -0.01 0.00 0.00 54.79 54.51 1p4k n ASP 371 Cb 0.55 0.00 0.57 0.00 -1.03 0.00 0.00 41.12 41.21 1p4k n ASP 371 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1p4k n GLU 372 N -0.17 1.29 -2.64 0.11 0.00 -1.01 -4.05 120.64 114.17 1p4k n GLU 372 Ca 0.00 -0.43 -0.07 0.00 0.00 0.00 0.00 57.16 56.65 1p4k n GLU 372 Cb 0.00 -1.38 0.04 0.00 0.00 0.00 0.00 31.44 30.09 1p4k n GLU 372 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1p4k n ASN 373 N -0.39 2.29 -1.66 -1.84 5.15 -1.26 -4.37 115.26 113.18 1p4k n ASN 373 Ca 0.17 -2.55 -0.20 0.00 -0.60 0.00 0.00 54.58 51.40 1p4k n ASN 373 Cb 0.19 -0.47 -0.08 0.00 -0.53 0.00 0.00 39.78 38.89 1p4k n ASN 373 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1p4k n TYR 374 N -0.50 -0.12 -3.18 1.20 4.02 -1.26 -4.98 117.16 112.34 1p4k n TYR 374 Ca 0.16 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.66 1p4k n TYR 374 Cb 0.82 -3.48 -0.06 0.00 -0.02 0.00 0.00 39.34 36.61 1p4k n TYR 374 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 1p4k s ASN 375 N -2.70 7.16 0.02 7.72 0.02 -1.26 -4.96 114.94 120.95 1p4k s ASN 375 Ca 0.00 1.38 -0.04 0.00 -1.02 0.00 0.00 52.86 53.18 1p4k s ASN 375 Cb 0.00 -2.40 -0.01 0.00 0.02 0.00 0.00 41.25 38.85 1p4k s ASN 375 CO 0.00 0.25 0.05 0.27 0.02 0.00 0.00 177.10 177.69 1p4k s ILE 376 N -1.08 0.12 -0.07 0.60 -4.36 -1.26 -2.16 121.20 112.98 1p4k s ILE 376 Ca 0.31 -1.00 -0.10 0.00 -0.26 0.00 0.00 60.65 59.60 1p4k s ILE 376 Cb -0.21 -0.63 0.02 0.00 1.25 0.00 0.00 42.46 42.89 1p4k s ILE 376 CO 0.21 -0.55 0.27 -0.83 0.24 0.00 0.00 174.94 174.28 1p4k s GLY 377 N -1.80 -0.17 -0.12 6.27 0.00 -0.90 -4.09 107.32 106.51 1p4k s GLY 377 Ca -0.10 0.58 -0.19 0.00 0.00 0.00 0.00 44.72 45.01 1p4k s GLY 377 CO -0.02 0.45 0.49 -0.45 0.00 0.00 0.00 173.10 173.57 1p4k s SER 378 N -0.31 -0.47 0.01 1.64 0.15 0.13 -0.93 113.70 113.92 1p4k s SER 378 Ca -0.04 0.74 0.03 0.00 0.70 0.00 0.00 55.95 57.37 1p4k s SER 378 Cb -0.03 0.77 -0.01 0.00 -1.71 0.00 0.00 66.02 65.04 1p4k s SER 378 CO 0.01 -0.31 -0.09 0.68 1.20 0.00 0.00 173.24 174.73 1p4k s VAL 379 N -0.37 0.68 0.00 4.45 -7.23 -0.32 -1.60 120.40 116.02 1p4k s VAL 379 Ca -0.05 -0.58 -0.01 0.00 -1.81 0.00 0.00 61.98 59.53 1p4k s VAL 379 Cb -0.03 -0.61 -0.01 0.00 0.56 0.00 0.00 36.38 36.29 1p4k s VAL 379 CO 0.03 0.05 0.01 0.00 -0.31 0.00 0.00 175.10 174.87 1p4k s ALA 380 N -0.51 0.00 -1.34 1.32 0.00 -0.89 -1.08 121.76 119.26 1p4k s ALA 380 Ca 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 51.96 51.71 1p4k s ALA 380 Cb -0.05 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.14 1p4k s ALA 380 CO 0.00 -0.09 0.75 0.00 0.00 0.00 0.00 175.76 176.42 1p4k s MET 382 N -6.09 3.38 0.25 0.00 0.00 -0.48 -2.97 119.30 113.39 1p4k s MET 382 Ca 0.11 -0.31 0.08 0.00 0.00 0.00 0.00 55.69 55.57 1p4k s MET 382 Cb -0.06 -3.02 -0.04 0.00 0.00 0.00 0.00 34.83 31.72 1p4k s MET 382 CO 0.81 0.61 0.08 -1.21 0.00 0.00 0.00 175.02 175.31 1p4k s GLU 383 N -0.59 2.56 0.00 4.11 2.02 -1.26 -0.42 118.70 125.12 1p4k s GLU 383 Ca 0.11 -1.23 0.00 0.00 0.02 0.00 0.00 54.97 53.87 1p4k s GLU 383 Cb -0.12 -2.35 0.00 0.00 0.10 0.00 0.00 34.13 31.77 1p4k s GLU 383 CO 0.02 0.39 0.00 0.72 0.02 0.00 0.00 175.26 176.41 1p4k n HIS 384 N -0.90 0.00 -4.11 1.61 8.25 -1.26 -4.84 115.22 113.97 1p4k n HIS 384 Ca -0.07 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.06 1p4k n HIS 384 Cb 0.58 -1.37 -0.16 0.00 1.12 0.00 0.00 29.99 30.16 1p4k n HIS 384 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1p4k s ILE 385 N -1.40 2.08 0.40 1.59 -1.09 -1.26 -0.05 121.20 121.48 1p4k s ILE 385 Ca 0.00 -1.11 0.11 0.00 -2.23 0.00 0.00 60.65 57.42 1p4k s ILE 385 Cb 0.00 -1.96 0.16 0.00 -1.58 0.00 0.00 42.46 39.08 1p4k s ILE 385 CO 0.00 0.40 1.93 0.50 -1.23 0.00 0.00 174.94 176.54 1p4k h LYS 386 N 7.90 0.15 -2.82 2.79 3.64 -1.91 -3.36 116.57 122.96 1p4k h LYS 386 Ca -0.39 -0.04 -0.64 0.00 -1.27 0.00 0.00 60.65 58.31 1p4k h LYS 386 Cb 1.12 -0.02 -0.40 0.00 -0.41 0.00 0.00 32.23 32.52 1p4k h LYS 386 CO 0.60 0.32 -0.40 0.09 -2.27 0.00 0.00 179.45 177.79 1p4k n ASN 387 N -4.28 3.72 0.26 4.20 3.02 -1.26 -4.31 115.26 116.61 1p4k n ASN 387 Ca -0.01 -3.29 0.10 0.00 -0.03 0.00 0.00 54.58 51.34 1p4k n ASN 387 Cb 0.27 -0.82 0.68 0.00 -0.61 0.00 0.00 39.78 39.30 1p4k n ASN 387 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1p4k h PRO 388 N 5.09 0.00 -0.24 3.52 0.13 -1.95 -1.93 132.00 136.62 1p4k h PRO 388 Ca 0.17 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.28 1p4k h PRO 388 Cb 0.72 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.84 1p4k h PRO 388 CO 0.82 0.09 0.05 0.97 -0.23 0.00 0.00 178.00 179.71 1p4k h ILE 389 N 0.00 1.12 0.00 -3.56 6.09 -1.90 0.13 117.51 119.39 1p4k h ILE 389 Ca -0.00 -0.43 -0.20 0.00 -1.37 0.00 0.00 64.86 62.86 1p4k h ILE 389 Cb 0.19 0.89 -0.03 0.00 0.47 0.00 0.00 36.82 38.35 1p4k h ILE 389 CO 0.01 0.15 -0.94 0.28 -3.07 0.00 0.00 178.15 174.58 1p4k h SER 390 N 0.33 0.00 -0.08 2.19 0.02 -1.74 -1.87 113.55 112.40 1p4k h SER 390 Ca 0.08 -0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.85 1p4k h SER 390 Cb 0.15 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 1p4k h SER 390 CO -0.00 0.94 -0.60 0.58 -1.14 0.00 0.00 176.83 176.61 1p4k h VAL 391 N 0.00 1.30 -0.72 2.27 2.07 -1.20 -1.95 116.25 118.02 1p4k h VAL 391 Ca -0.01 -1.84 0.02 0.00 0.82 0.00 0.00 66.70 65.70 1p4k h VAL 391 Cb 1.67 1.79 -0.04 0.00 -1.52 0.00 0.00 31.29 33.18 1p4k h VAL 391 CO 0.12 0.58 0.46 0.00 0.02 0.00 0.00 177.57 178.75 1p4k h ALA 392 N 0.82 0.93 -0.20 1.67 0.00 -0.65 1.00 119.26 122.83 1p4k h ALA 392 Ca -0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1p4k h ALA 392 Cb 1.18 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1p4k h ALA 392 CO 0.12 0.27 -0.06 -0.09 0.00 0.00 0.00 179.25 179.49 1p4k h ARG 393 N 0.92 0.30 -0.14 0.00 2.43 -1.11 -1.50 114.38 115.27 1p4k h ARG 393 Ca 0.28 -0.06 -0.16 0.00 -0.81 0.00 0.00 59.98 59.23 1p4k h ARG 393 Cb -0.03 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1p4k h ARG 393 CO -0.09 0.38 -0.59 0.00 -1.51 0.00 0.00 179.97 178.16 1p4k h ALA 394 N 1.65 0.72 -0.41 2.80 0.00 -0.41 -0.15 119.26 123.45 1p4k h ALA 394 Ca 0.06 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1p4k h ALA 394 Cb 0.30 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1p4k h ALA 394 CO 0.01 0.70 0.18 0.28 0.00 0.00 0.00 179.25 180.43 1p4k h VAL 395 N 0.35 1.19 0.07 0.00 2.07 -0.13 0.14 116.25 119.95 1p4k h VAL 395 Ca -0.00 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 1p4k h VAL 395 Cb 1.12 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1p4k h VAL 395 CO 0.10 0.21 -0.04 -0.03 0.02 0.00 0.00 177.57 177.84 1p4k h MET 396 N 0.52 -0.10 0.00 1.57 -1.53 -1.05 -2.90 114.93 111.44 1p4k h MET 396 Ca 0.14 0.01 -0.19 0.00 -3.44 0.00 0.00 59.70 56.22 1p4k h MET 396 Cb 0.16 0.02 -0.03 0.00 -0.55 0.00 0.00 31.60 31.20 1p4k h MET 396 CO -0.01 -0.03 -1.01 0.93 0.14 0.00 0.00 176.91 176.93 1p4k h GLU 397 N -0.14 0.00 -0.01 0.39 5.08 -0.95 -3.40 114.58 115.55 1p4k h GLU 397 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1p4k h GLU 397 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1p4k h GLU 397 CO 0.02 0.69 -0.07 1.63 -1.00 0.00 0.00 179.01 180.27 1p4k n LYS 398 N -3.21 1.05 -4.34 2.33 4.76 0.49 -5.04 118.16 114.20 1p4k n LYS 398 Ca -0.03 -0.95 -0.17 0.00 -2.87 0.00 0.00 58.31 54.29 1p4k n LYS 398 Cb 0.88 -1.16 -0.10 0.00 -1.84 0.00 0.00 35.03 32.81 1p4k n LYS 398 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1p4k s THR 399 N -1.06 0.94 -2.23 -0.18 -4.23 -1.10 -5.02 115.64 102.76 1p4k s THR 399 Ca 0.11 -2.02 0.24 0.00 -1.18 0.00 0.00 61.69 58.84 1p4k s THR 399 Cb 0.09 -2.46 0.58 0.00 1.34 0.00 0.00 72.50 72.05 1p4k s THR 399 CO 0.18 -0.22 1.76 -2.65 -0.54 0.00 0.00 174.62 173.15 1p4k n PRO 400 N -0.46 1.42 -3.97 3.99 -0.02 -1.26 -4.82 135.00 129.88 1p4k n PRO 400 Ca -0.04 -0.62 -0.24 0.00 -2.02 0.00 0.00 63.50 60.58 1p4k n PRO 400 Cb 0.65 -1.41 -0.05 0.00 -0.02 0.00 0.00 33.50 32.66 1p4k n PRO 400 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1p4k s HIS 401 N -1.93 2.50 0.00 6.00 3.76 -1.26 -5.05 115.29 119.31 1p4k s HIS 401 Ca 0.36 -0.60 0.00 0.00 -0.15 0.00 0.00 55.06 54.67 1p4k s HIS 401 Cb 0.18 -2.00 0.00 0.00 1.11 0.00 0.00 32.58 31.87 1p4k s HIS 401 CO 0.29 0.03 0.21 1.33 -0.85 0.00 0.00 174.74 175.76 1p4k n VAL 402 N -1.38 0.00 -3.69 -0.90 0.24 -1.26 -4.52 118.33 106.82 1p4k n VAL 402 Ca -0.00 -0.44 -0.10 0.00 -2.04 0.00 0.00 64.34 61.76 1p4k n VAL 402 Cb 0.64 1.06 -0.11 0.00 -1.47 0.00 0.00 33.84 33.96 1p4k n VAL 402 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 1p4k s MET 403 N -0.45 0.40 -0.02 7.34 -2.45 -1.26 -0.70 119.30 122.16 1p4k s MET 403 Ca 0.00 0.82 0.05 0.00 -1.25 0.00 0.00 55.69 55.31 1p4k s MET 403 Cb 0.00 0.01 -0.01 0.00 1.25 0.00 0.00 34.83 36.08 1p4k s MET 403 CO 0.00 -0.16 -0.16 -0.51 1.05 0.00 0.00 175.02 175.23 1p4k s LEU 404 N 1.50 1.98 0.15 4.11 1.43 -0.63 -5.00 118.68 122.22 1p4k s LEU 404 Ca -0.09 -0.31 0.05 0.00 -1.03 0.00 0.00 54.13 52.75 1p4k s LEU 404 Cb -0.09 -0.86 -0.04 0.00 0.03 0.00 0.00 46.19 45.23 1p4k s LEU 404 CO -0.13 0.18 -0.11 0.68 0.23 0.00 0.00 176.35 177.20 1p4k s VAL 405 N -0.22 1.23 0.00 -1.59 -7.23 -1.26 -2.09 120.40 109.23 1p4k s VAL 405 Ca 0.03 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 1p4k s VAL 405 Cb -0.08 -1.82 0.00 0.00 0.56 0.00 0.00 36.38 35.04 1p4k s VAL 405 CO 0.00 -0.70 0.00 0.61 -0.31 0.00 0.00 175.10 174.70 1p4k n GLY 406 N -0.12 2.03 0.27 2.32 0.00 -0.56 -3.20 105.19 105.93 1p4k n GLY 406 Ca -0.11 -0.48 0.06 0.00 0.00 0.00 0.00 46.02 45.49 1p4k n GLY 406 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1p4k h ASP 407 N 9.43 0.04 -0.77 1.61 3.45 -1.93 -0.75 116.42 127.50 1p4k h ASP 407 Ca 0.00 0.15 0.07 0.00 0.43 0.00 0.00 57.03 57.68 1p4k h ASP 407 Cb 0.00 0.19 -0.05 0.00 -0.56 0.00 0.00 39.33 38.91 1p4k h ASP 407 CO 0.00 -0.03 0.50 1.23 -1.57 0.00 0.00 179.24 179.37 1p4k h GLY 408 N 0.28 1.03 0.96 2.75 0.00 -1.97 0.02 103.07 106.15 1p4k h GLY 408 Ca 0.42 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.39 1p4k h GLY 408 CO -0.51 0.23 0.11 0.00 0.00 0.00 0.00 176.54 176.37 1p4k h ALA 409 N 1.59 0.61 -0.37 3.60 0.00 -1.10 -1.61 119.26 121.97 1p4k h ALA 409 Ca 0.33 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1p4k h ALA 409 Cb 0.28 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1p4k h ALA 409 CO -0.12 0.31 0.05 1.25 0.00 0.00 0.00 179.25 180.74 1p4k h LEU 410 N 0.63 0.61 -0.57 0.00 5.85 -1.09 -0.85 115.31 119.88 1p4k h LEU 410 Ca 0.15 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.64 1p4k h LEU 410 Cb 0.33 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 1p4k h LEU 410 CO 0.00 0.73 0.31 -0.33 -0.34 0.00 0.00 178.44 178.81 1p4k h GLU 411 N 0.47 0.57 -0.14 1.25 5.08 -0.91 0.00 114.58 120.91 1p4k h GLU 411 Ca 0.11 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1p4k h GLU 411 Cb 0.39 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1p4k h GLU 411 CO 0.01 0.38 0.06 0.35 -1.00 0.00 0.00 179.01 178.81 1p4k h PHE 412 N 0.59 0.20 -0.58 4.33 3.57 -1.12 -1.72 116.94 122.20 1p4k h PHE 412 Ca 0.25 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.84 1p4k h PHE 412 Cb 0.14 -0.06 -0.08 0.00 2.79 0.00 0.00 35.95 38.74 1p4k h PHE 412 CO -0.09 0.25 0.15 0.00 -2.23 0.00 0.00 178.31 176.40 1p4k h ALA 413 N 0.93 0.71 -0.56 2.41 0.00 -0.50 -0.41 119.26 121.84 1p4k h ALA 413 Ca 0.05 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1p4k h ALA 413 Cb 0.13 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1p4k h ALA 413 CO -0.01 -0.27 0.20 -0.07 0.00 0.00 0.00 179.25 179.10 1p4k h LEU 414 N 0.30 0.75 -1.71 0.00 3.38 -0.81 -1.26 115.31 115.96 1p4k h LEU 414 Ca 0.30 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1p4k h LEU 414 Cb 0.42 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1p4k h LEU 414 CO -0.36 0.69 -0.10 0.77 0.09 0.00 0.00 178.44 179.53 1p4k h SER 415 N 0.80 0.00 -0.55 -0.43 4.64 -0.17 -2.16 113.55 115.68 1p4k h SER 415 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1p4k h SER 415 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1p4k h SER 415 CO -0.01 0.10 0.00 0.00 -0.87 0.00 0.00 176.83 176.05 1p4k n GLN 416 N -3.36 2.32 -0.31 4.77 1.13 -0.56 -4.94 117.38 116.44 1p4k n GLN 416 Ca -0.01 -2.05 0.00 0.00 -1.94 0.00 0.00 57.00 53.00 1p4k n GLN 416 Cb 0.29 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 29.19 1p4k n GLN 416 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p4k n GLY 417 N 1.41 0.80 3.76 1.08 0.00 -0.81 -5.05 105.19 106.38 1p4k n GLY 417 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1p4k n GLY 417 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1p4k s PHE 418 N -2.70 2.53 -0.12 1.61 0.40 -0.69 -5.00 117.98 114.01 1p4k s PHE 418 Ca 0.00 1.54 -0.05 0.00 -0.60 0.00 0.00 56.93 57.82 1p4k s PHE 418 Cb 0.00 -3.34 -0.04 0.00 0.51 0.00 0.00 43.02 40.15 1p4k s PHE 418 CO 0.00 -1.87 0.08 0.15 0.70 0.00 0.00 175.22 174.28 1p4k s LYS 419 N -3.52 3.42 0.19 0.44 -0.14 -1.26 -4.42 119.74 114.46 1p4k s LYS 419 Ca 0.73 -0.27 -0.30 0.00 -1.36 0.00 0.00 55.97 54.78 1p4k s LYS 419 Cb -0.26 -3.07 -0.08 0.00 -1.68 0.00 0.00 37.83 32.74 1p4k s LYS 419 CO 0.33 0.64 1.19 0.21 -0.76 0.00 0.00 175.35 176.96 1p4k s LYS 420 N -0.66 4.50 0.08 1.68 2.20 -1.26 -4.60 119.74 121.68 1p4k s LYS 420 Ca 0.12 1.87 -0.08 0.00 -0.36 0.00 0.00 55.97 57.51 1p4k s LYS 420 Cb -0.12 -3.24 -0.00 0.00 -1.51 0.00 0.00 37.83 32.96 1p4k s LYS 420 CO 0.02 -0.06 0.18 -1.21 -0.36 0.00 0.00 175.35 173.93 1p4k s GLU 421 N -0.36 0.81 -0.45 4.03 2.02 0.93 -5.02 118.70 120.66 1p4k s GLU 421 Ca 0.52 -0.91 -0.25 0.00 0.02 0.00 0.00 54.97 54.35 1p4k s GLU 421 Cb -0.33 0.33 0.03 0.00 0.10 0.00 0.00 34.13 34.26 1p4k s GLU 421 CO 0.37 -0.25 0.88 1.21 0.02 0.00 0.00 175.26 177.49 1p4k s ASN 422 N -2.72 6.48 0.15 -0.19 2.47 -1.26 -4.35 114.94 115.53 1p4k s ASN 422 Ca 0.03 0.08 0.25 0.00 0.42 0.00 0.00 52.86 53.64 1p4k s ASN 422 Cb 0.04 -2.43 0.49 0.00 -1.45 0.00 0.00 41.25 37.89 1p4k s ASN 422 CO -0.10 -0.99 1.46 0.18 -3.72 0.00 0.00 177.10 173.93 1p4k n LEU 423 N 6.99 0.74 -4.57 3.21 4.77 -1.26 -4.74 117.00 122.13 1p4k n LEU 423 Ca 0.05 0.33 -0.43 0.00 -0.03 0.00 0.00 56.01 55.93 1p4k n LEU 423 Cb 0.48 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 1p4k n LEU 423 CO 0.62 -0.09 0.88 -0.22 -1.33 0.00 0.00 177.39 177.25 1p4k s LEU 424 N -4.32 3.83 0.77 2.23 2.96 -1.26 -2.67 118.68 120.21 1p4k s LEU 424 Ca 0.08 0.17 -0.12 0.00 -0.22 0.00 0.00 54.13 54.04 1p4k s LEU 424 Cb 0.13 -3.26 0.05 0.00 0.50 0.00 0.00 46.19 43.61 1p4k s LEU 424 CO 0.68 -1.19 1.11 0.42 -1.32 0.00 0.00 176.35 176.05 1p4k s THR 425 N 4.16 2.97 0.26 3.68 -4.23 -1.26 -4.85 115.64 116.38 1p4k s THR 425 Ca 0.41 0.32 -0.05 0.00 -1.18 0.00 0.00 61.69 61.19 1p4k s THR 425 Cb -0.09 -3.21 0.25 0.00 1.34 0.00 0.00 72.50 70.79 1p4k s THR 425 CO 0.27 -0.41 1.92 0.00 -0.54 0.00 0.00 174.62 175.86 1p4k h ALA 426 N -0.94 1.30 -0.32 3.99 0.00 -1.99 -1.24 119.26 120.06 1p4k h ALA 426 Ca -0.46 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 1p4k h ALA 426 Cb 1.28 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1p4k h ALA 426 CO 0.63 0.62 0.18 1.49 0.00 0.00 0.00 179.25 182.17 1p4k h GLU 427 N 1.24 0.44 -0.41 0.00 4.81 -1.99 -0.83 114.58 117.84 1p4k h GLU 427 Ca 0.33 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.43 1p4k h GLU 427 Cb -0.09 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 1p4k h GLU 427 CO -0.07 0.36 -0.10 0.77 -0.73 0.00 0.00 179.01 179.24 1p4k h SER 428 N 0.40 0.70 -0.50 1.04 0.02 -1.80 -1.55 113.55 111.86 1p4k h SER 428 Ca 0.11 -0.20 -0.07 0.00 -0.84 0.00 0.00 61.79 60.79 1p4k h SER 428 Cb 0.04 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 1p4k h SER 428 CO -0.02 0.83 0.04 -0.08 -1.14 0.00 0.00 176.83 176.47 1p4k h GLU 429 N 0.65 0.85 0.28 3.45 4.81 -0.96 -1.40 114.58 122.27 1p4k h GLU 429 Ca 0.11 -0.25 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 1p4k h GLU 429 Cb 0.55 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1p4k h GLU 429 CO 0.03 0.87 -0.14 -0.22 -0.73 0.00 0.00 179.01 178.82 1p4k h LYS 430 N 0.72 -0.37 -1.00 1.92 3.64 -0.93 -1.58 116.57 118.96 1p4k h LYS 430 Ca 0.15 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.59 1p4k h LYS 430 Cb 0.45 0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.30 1p4k h LYS 430 CO 0.02 -0.24 0.66 0.93 -2.27 0.00 0.00 179.45 178.55 1p4k h GLU 431 N -0.40 1.22 -0.22 1.90 5.08 -1.24 -1.31 114.58 119.61 1p4k h GLU 431 Ca -0.04 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1p4k h GLU 431 Cb 0.30 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1p4k h GLU 431 CO 0.06 0.81 0.08 2.35 -1.00 0.00 0.00 179.01 181.31 1p4k h TRP 432 N 1.26 0.34 -0.33 4.33 7.01 -1.06 0.80 115.95 128.30 1p4k h TRP 432 Ca 0.41 -0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.34 1p4k h TRP 432 Cb 0.03 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 26.97 1p4k h TRP 432 CO -0.00 0.40 0.06 0.87 -2.79 0.00 0.00 178.44 176.98 1p4k h LYS 433 N 0.19 0.48 -0.23 2.65 1.57 -0.99 -0.20 116.57 120.04 1p4k h LYS 433 Ca 0.07 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 1p4k h LYS 433 Cb 0.21 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1p4k h LYS 433 CO -0.00 0.46 -0.08 1.49 -0.57 0.00 0.00 179.45 180.75 1p4k h GLU 434 N 0.47 0.47 -0.64 3.15 4.57 -0.88 -3.07 114.58 118.64 1p4k h GLU 434 Ca 0.11 -0.19 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1p4k h GLU 434 Cb 0.21 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 1p4k h GLU 434 CO -0.00 0.72 0.40 2.35 -1.18 0.00 0.00 179.01 181.29 1p4k h TRP 435 N 0.19 0.83 -0.25 0.92 7.01 -0.20 -2.54 115.95 121.91 1p4k h TRP 435 Ca 0.06 0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.14 1p4k h TRP 435 Cb 0.56 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 27.33 1p4k h TRP 435 CO 0.06 0.55 0.21 -0.07 -2.79 0.00 0.00 178.44 176.40 1p4k h LEU 436 N 0.88 0.00 -1.02 0.65 3.38 -0.95 0.18 115.31 118.43 1p4k h LEU 436 Ca 0.23 0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.42 1p4k h LEU 436 Cb -0.05 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.59 1p4k h LEU 436 CO -0.05 0.00 0.61 0.11 0.09 0.00 0.00 178.44 179.20 1p4k h LYS 437 N 0.00 0.64 0.00 1.13 1.57 -1.51 -3.06 116.57 115.34 1p4k h LYS 437 Ca 0.12 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1p4k h LYS 437 Cb 0.54 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1p4k h LYS 437 CO -0.00 0.42 -0.67 0.25 -0.57 0.00 0.00 179.45 178.89 1p4k n THR 438 N -4.82 0.00 -3.97 -0.16 -2.24 -1.07 -5.04 114.28 96.99 1p4k n THR 438 Ca 0.25 -0.18 -0.28 0.00 -2.27 0.00 0.00 64.05 61.57 1p4k n THR 438 Cb 0.67 0.67 -0.02 0.00 -2.10 0.00 0.00 70.33 69.55 1p4k n THR 438 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1p4k n SER 439 N -1.34 -1.12 -4.31 3.42 7.64 0.03 -4.92 113.62 113.03 1p4k n SER 439 Ca -0.00 -1.07 -0.45 0.00 1.01 0.00 0.00 58.87 58.36 1p4k n SER 439 Cb 0.01 -2.80 -0.06 0.00 -1.01 0.00 0.00 64.21 60.35 1p4k n SER 439 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1p4k s GLN 440 N -6.65 2.93 -0.34 1.43 -1.52 -1.26 -5.03 119.66 109.22 1p4k s GLN 440 Ca 0.10 -1.68 -0.29 0.00 -1.95 0.00 0.00 55.36 51.55 1p4k s GLN 440 Cb -0.04 -4.23 -0.01 0.00 -0.22 0.00 0.00 33.01 28.50 1p4k s GLN 440 CO 0.91 -1.28 1.70 -0.47 -0.25 0.00 0.00 175.29 175.90 1p4k s TYR 441 N 1.58 1.95 -0.43 0.91 5.04 -1.26 -4.95 117.35 120.19 1p4k s TYR 441 Ca 0.03 0.62 0.02 0.00 -2.44 0.00 0.00 57.07 55.31 1p4k s TYR 441 Cb -0.29 -4.16 0.13 0.00 0.35 0.00 0.00 41.96 37.99 1p4k s TYR 441 CO 0.03 -2.75 0.22 0.15 -1.34 0.00 0.00 175.55 171.85 1p4k s LYS 442 N 5.43 1.28 -0.68 4.97 1.02 -1.26 -5.07 119.74 125.42 1p4k s LYS 442 Ca 0.75 -1.94 -0.25 0.00 0.02 0.00 0.00 55.97 54.55 1p4k s LYS 442 Cb -0.21 -2.41 -0.13 0.00 -0.52 0.00 0.00 37.83 34.57 1p4k s LYS 442 CO 0.33 -1.13 2.43 -2.30 -0.92 0.00 0.00 175.35 173.76 1p4k n PRO 443 N 3.69 0.70 -4.18 -1.68 -0.02 -1.26 -4.94 135.00 127.31 1p4k n PRO 443 Ca 0.07 -0.33 -0.34 0.00 -2.02 0.00 0.00 63.50 60.88 1p4k n PRO 443 Cb 0.35 -3.21 -0.12 0.00 -0.02 0.00 0.00 33.50 30.50 1p4k n PRO 443 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1p4k s ILE 444 N 12.15 3.89 -0.09 4.25 -1.16 -1.26 -5.00 121.20 133.98 1p4k s ILE 444 Ca 1.02 -0.34 0.00 0.00 -0.51 0.00 0.00 60.65 60.82 1p4k s ILE 444 Cb -0.30 -2.74 0.02 0.00 0.61 0.00 0.00 42.46 40.05 1p4k s ILE 444 CO 0.23 0.45 -0.08 -0.69 -2.81 0.00 0.00 174.94 172.05 1p4k s VAL 445 N 0.81 0.94 0.09 4.00 1.01 -1.26 -3.84 120.40 122.14 1p4k s VAL 445 Ca -0.00 -0.27 -0.19 0.00 0.00 0.00 0.00 61.98 61.51 1p4k s VAL 445 Cb -0.14 -0.94 0.07 0.00 0.00 0.00 0.00 36.38 35.36 1p4k s VAL 445 CO 0.02 0.34 0.89 -0.46 0.00 0.00 0.00 175.10 175.89 1p4k n ASN 446 N 4.61 -1.22 -0.55 3.32 0.23 -0.96 -4.77 115.26 115.91 1p4k n ASN 446 Ca -0.16 -1.53 0.45 0.00 -0.53 0.00 0.00 54.58 52.82 1p4k n ASN 446 Cb 0.50 1.96 0.79 0.00 -2.08 0.00 0.00 39.78 40.95 1p4k n ASN 446 CO 0.00 0.00 0.00 0.16 -0.93 0.00 0.00 177.26 176.49 1p4k h ILE 447 N 1.78 0.17 -0.10 1.53 -2.65 -1.93 0.37 117.51 116.69 1p4k h ILE 447 Ca -0.20 -0.00 0.00 0.00 1.03 0.00 0.00 64.86 65.69 1p4k h ILE 447 Cb 0.94 0.16 0.00 0.00 -2.05 0.00 0.00 36.82 35.87 1p4k h ILE 447 CO 0.27 0.00 0.00 -0.62 0.03 0.00 0.00 178.15 177.84 1p4k n GLU 448 N -4.08 2.56 -3.89 0.16 1.02 -1.26 -4.97 120.64 110.19 1p4k n GLU 448 Ca 0.37 -2.01 -0.11 0.00 -0.02 0.00 0.00 57.16 55.39 1p4k n GLU 448 Cb 1.69 -1.27 -0.11 0.00 -0.02 0.00 0.00 31.44 31.73 1p4k n GLU 448 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1p4k s ASN 449 N -1.55 0.04 -0.67 1.62 0.01 0.12 -4.97 114.94 109.54 1p4k s ASN 449 Ca 0.17 -0.19 -0.02 0.00 -0.71 0.00 0.00 52.86 52.11 1p4k s ASN 449 Cb 0.13 0.19 0.00 0.00 0.41 0.00 0.00 41.25 41.98 1p4k s ASN 449 CO 0.05 -0.30 0.47 1.57 -1.51 0.00 0.00 177.10 177.38 1p4k n HIS 450 N 1.75 -1.55 -3.49 2.20 -0.00 -1.25 -2.27 115.22 110.61 1p4k n HIS 450 Ca -0.21 0.61 -0.43 0.00 0.46 0.00 0.00 57.72 58.15 1p4k n HIS 450 Cb 0.56 -2.14 -0.06 0.00 -0.12 0.00 0.00 29.99 28.23 1p4k n HIS 450 CO 0.00 0.00 0.00 -0.80 0.46 0.00 0.00 176.34 176.00 1p4k s ASN 451 N -2.84 6.06 0.87 0.26 -0.87 -1.26 -4.69 114.94 112.46 1p4k s ASN 451 Ca 0.02 -2.55 -0.13 0.00 -1.57 0.00 0.00 52.86 48.64 1p4k s ASN 451 Cb -0.01 -2.06 0.11 0.00 -0.02 0.00 0.00 41.25 39.27 1p4k s ASN 451 CO 0.71 -0.55 1.17 0.42 -2.57 0.00 0.00 177.10 176.28 1p4k s THR 452 N 0.40 1.99 -0.13 1.60 -4.23 -1.26 -4.61 115.64 109.41 1p4k s THR 452 Ca 0.14 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.67 1p4k s THR 452 Cb -0.18 -2.90 0.02 0.00 1.34 0.00 0.00 72.50 70.78 1p4k s THR 452 CO -0.05 0.00 -0.15 -0.51 -0.54 0.00 0.00 174.62 173.37 1p4k s ILE 453 N -3.48 1.58 -0.05 2.99 2.07 -1.10 -4.81 121.20 118.41 1p4k s ILE 453 Ca 0.64 -0.67 0.05 0.00 -1.41 0.00 0.00 60.65 59.26 1p4k s ILE 453 Cb -0.12 -1.46 -0.02 0.00 0.13 0.00 0.00 42.46 40.99 1p4k s ILE 453 CO 0.51 0.46 -0.19 -0.83 -1.91 0.00 0.00 174.94 172.98 1p4k s GLY 454 N 1.20 1.42 -0.02 1.50 0.00 -1.26 -1.75 107.32 108.40 1p4k s GLY 454 Ca -0.01 -1.03 -0.01 0.00 0.00 0.00 0.00 44.72 43.67 1p4k s GLY 454 CO -0.06 -0.76 0.04 -0.29 0.00 0.00 0.00 173.10 172.04 1p4k s MET 455 N -0.53 0.00 0.02 2.90 0.00 0.32 -1.89 119.30 120.12 1p4k s MET 455 Ca 0.07 0.15 0.04 0.00 0.00 0.00 0.00 55.69 55.95 1p4k s MET 455 Cb -0.11 -0.14 -0.02 0.00 0.00 0.00 0.00 34.83 34.56 1p4k s MET 455 CO 0.01 -0.11 -0.11 0.96 0.00 0.00 0.00 175.02 175.77 1p4k s ILE 456 N 0.69 0.89 0.05 10.11 -4.36 -0.56 -0.59 121.20 127.43 1p4k s ILE 456 Ca -0.06 -0.74 -0.09 0.00 -0.26 0.00 0.00 60.65 59.51 1p4k s ILE 456 Cb -0.08 -0.80 0.00 0.00 1.25 0.00 0.00 42.46 42.84 1p4k s ILE 456 CO -0.02 0.06 0.19 0.00 0.24 0.00 0.00 174.94 175.41 1p4k s ALA 457 N -0.62 -0.32 -0.20 2.27 0.00 -0.42 -1.05 121.76 121.41 1p4k s ALA 457 Ca 0.01 -0.37 0.02 0.00 0.00 0.00 0.00 51.96 51.62 1p4k s ALA 457 Cb -0.06 0.32 0.04 0.00 0.00 0.00 0.00 23.12 23.42 1p4k s ALA 457 CO 0.00 -0.39 -0.15 -1.17 0.00 0.00 0.00 175.76 174.05 1p4k s LEU 458 N -2.26 2.51 0.89 0.00 2.96 -0.06 -1.84 118.68 120.88 1p4k s LEU 458 Ca -0.03 -0.90 -0.10 0.00 -0.22 0.00 0.00 54.13 52.89 1p4k s LEU 458 Cb 0.00 -1.43 0.19 0.00 0.50 0.00 0.00 46.19 45.45 1p4k s LEU 458 CO -0.05 -0.09 1.21 1.51 -1.32 0.00 0.00 176.35 177.61 1p4k s ASP 459 N 1.27 3.38 0.62 3.68 1.47 0.18 -1.43 116.67 125.84 1p4k s ASP 459 Ca -0.00 -0.15 0.36 0.00 1.18 0.00 0.00 52.55 53.94 1p4k s ASP 459 Cb -0.16 0.08 2.04 0.00 -0.34 0.00 0.00 42.92 44.53 1p4k s ASP 459 CO -0.10 -2.53 2.28 0.00 0.68 0.00 0.00 175.17 175.50 1p4k h ALA 460 N -1.27 1.24 -0.00 2.11 0.00 -1.84 0.60 119.26 120.11 1p4k h ALA 460 Ca -0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1p4k h ALA 460 Cb 1.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1p4k h ALA 460 CO 0.33 0.02 -0.11 1.04 0.00 0.00 0.00 179.25 180.53 1p4k n GLN 461 N -3.45 0.77 -0.83 0.00 6.02 -1.26 -4.90 117.38 113.73 1p4k n GLN 461 Ca -0.03 -0.28 0.00 0.00 -0.01 0.00 0.00 57.00 56.68 1p4k n GLN 461 Cb 0.10 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.87 1p4k n GLN 461 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1p4k n GLY 462 N 1.26 0.57 3.79 1.08 0.00 0.20 -5.06 105.19 107.03 1p4k n GLY 462 Ca 0.15 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 45.04 1p4k n GLY 462 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1p4k s ASN 463 N -2.74 5.73 0.08 1.61 0.01 -1.26 -4.84 114.94 113.53 1p4k s ASN 463 Ca 0.00 0.19 0.02 0.00 -0.71 0.00 0.00 52.86 52.36 1p4k s ASN 463 Cb 0.00 -1.67 -0.04 0.00 0.41 0.00 0.00 41.25 39.95 1p4k s ASN 463 CO 0.00 0.30 0.13 -0.76 -1.51 0.00 0.00 177.10 175.26 1p4k s LEU 464 N -1.59 4.00 0.17 0.60 1.43 -1.26 -0.65 118.68 121.38 1p4k s LEU 464 Ca 0.21 0.08 -0.21 0.00 -1.03 0.00 0.00 54.13 53.19 1p4k s LEU 464 Cb -0.12 -2.65 0.05 0.00 0.03 0.00 0.00 46.19 43.51 1p4k s LEU 464 CO 0.12 0.16 0.56 -0.44 0.23 0.00 0.00 176.35 176.98 1p4k s SER 465 N -2.50 -0.43 0.15 2.29 0.01 -0.77 -2.40 113.70 110.06 1p4k s SER 465 Ca 0.31 -0.18 -0.14 0.00 1.31 0.00 0.00 55.95 57.25 1p4k s SER 465 Cb -0.12 0.58 0.02 0.00 0.21 0.00 0.00 66.02 66.71 1p4k s SER 465 CO 0.24 -0.99 0.39 -0.83 0.41 0.00 0.00 173.24 172.46 1p4k s GLY 466 N -2.79 -0.03 -0.06 3.44 0.00 -0.50 -1.30 107.32 106.07 1p4k s GLY 466 Ca 0.03 -0.33 -0.11 0.00 0.00 0.00 0.00 44.72 44.32 1p4k s GLY 466 CO -0.10 -0.45 0.27 0.00 0.00 0.00 0.00 173.10 172.82 1p4k s ALA 467 N -3.86 -0.67 -0.03 3.20 0.00 0.25 -1.85 121.76 118.79 1p4k s ALA 467 Ca 0.08 0.52 -0.01 0.00 0.00 0.00 0.00 51.96 52.55 1p4k s ALA 467 Cb 0.02 -0.22 0.03 0.00 0.00 0.00 0.00 23.12 22.94 1p4k s ALA 467 CO -0.07 -0.18 0.06 0.00 0.00 0.00 0.00 175.76 175.57 1p4k s THR 469 N 1.14 0.04 0.24 0.00 -1.32 -0.72 -1.45 115.64 113.57 1p4k s THR 469 Ca -0.09 -0.29 -0.22 0.00 -1.21 0.00 0.00 61.69 59.88 1p4k s THR 469 Cb -0.13 -0.42 0.04 0.00 -1.51 0.00 0.00 72.50 70.48 1p4k s THR 469 CO -0.04 -0.16 0.75 0.28 -2.21 0.00 0.00 174.62 173.24 1p4k s THR 470 N -0.60 0.00 -1.88 5.08 -1.32 -0.43 -2.69 115.64 113.80 1p4k s THR 470 Ca -0.07 -0.79 0.17 0.00 -1.21 0.00 0.00 61.69 59.80 1p4k s THR 470 Cb -0.04 -1.84 0.29 0.00 -1.51 0.00 0.00 72.50 69.40 1p4k s THR 470 CO 0.01 0.00 1.21 -1.54 -2.21 0.00 0.00 174.62 172.09 1p4k n SER 471 N -0.45 2.90 -0.25 8.08 3.41 -0.27 -1.59 113.62 125.46 1p4k n SER 471 Ca -0.06 -1.85 0.03 0.00 -0.26 0.00 0.00 58.87 56.73 1p4k n SER 471 Cb 0.60 -0.16 -0.01 0.00 -0.26 0.00 0.00 64.21 64.38 1p4k n SER 471 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1p4k n GLY 472 N 1.04 -1.52 3.69 5.00 0.00 -1.26 -4.63 105.19 107.51 1p4k n GLY 472 Ca 0.14 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 1p4k n GLY 472 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1p4k s MET 473 N -1.43 4.15 0.15 1.61 -1.94 -1.26 -4.87 119.30 115.71 1p4k s MET 473 Ca 0.00 2.53 -0.34 0.00 -1.71 0.00 0.00 55.69 56.18 1p4k s MET 473 Cb 0.00 -3.63 -0.14 0.00 2.01 0.00 0.00 34.83 33.07 1p4k s MET 473 CO 0.00 -0.83 1.60 0.00 -0.01 0.00 0.00 175.02 175.78 1p4k n ALA 474 N 5.78 1.41 -2.05 3.03 0.00 -1.26 -1.99 120.51 125.43 1p4k n ALA 474 Ca 0.17 0.44 -0.13 0.00 0.00 0.00 0.00 53.44 53.92 1p4k n ALA 474 Cb 0.39 -2.37 -0.02 0.00 0.00 0.00 0.00 19.45 17.45 1p4k n ALA 474 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1p4k n TYR 475 N 3.58 -0.48 -0.96 0.00 0.53 0.08 -4.90 117.16 115.00 1p4k n TYR 475 Ca 0.17 0.00 -0.30 0.00 -1.02 0.00 0.00 57.90 56.75 1p4k n TYR 475 Cb 0.29 -2.79 0.17 0.00 -1.03 0.00 0.00 39.34 35.97 1p4k n TYR 475 CO 0.00 0.00 0.00 -1.59 -1.02 0.00 0.00 176.86 174.25 1p4k s LYS 476 N -4.30 0.75 0.56 -0.72 -2.85 -0.84 -3.73 119.74 108.62 1p4k s LYS 476 Ca 0.00 0.97 -0.19 0.00 -1.00 0.00 0.00 55.97 55.75 1p4k s LYS 476 Cb 0.00 -1.74 -0.05 0.00 -2.06 0.00 0.00 37.83 33.98 1p4k s LYS 476 CO 0.00 -2.63 1.19 -1.64 0.10 0.00 0.00 175.35 172.37 1p4k s MET 477 N -4.78 3.17 0.25 1.78 -1.94 -1.26 -0.48 119.30 116.04 1p4k s MET 477 Ca 0.65 1.78 -0.31 0.00 -1.71 0.00 0.00 55.69 56.09 1p4k s MET 477 Cb -0.20 -2.01 -0.12 0.00 2.01 0.00 0.00 34.83 34.51 1p4k s MET 477 CO 0.59 -1.03 1.62 1.58 -0.01 0.00 0.00 175.02 177.76 1p4k n HIS 478 N -1.37 2.71 -0.46 -0.03 -0.00 -1.26 -1.72 115.22 113.08 1p4k n HIS 478 Ca 0.12 0.20 0.00 0.00 0.46 0.00 0.00 57.72 58.50 1p4k n HIS 478 Cb 0.50 -2.61 0.00 0.00 -0.12 0.00 0.00 29.99 27.76 1p4k n HIS 478 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1p4k n GLY 479 N 2.89 1.04 3.75 1.57 0.00 -1.26 -5.03 105.19 108.15 1p4k n GLY 479 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1p4k n GLY 479 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1p4k s ARG 480 N -0.40 4.33 -0.05 1.61 3.00 -0.70 -4.97 118.95 121.77 1p4k s ARG 480 Ca 0.00 2.21 0.05 0.00 -1.00 0.00 0.00 55.73 56.98 1p4k s ARG 480 Cb 0.00 -3.12 -0.00 0.00 0.00 0.00 0.00 34.95 31.83 1p4k s ARG 480 CO 0.00 -0.30 -0.18 0.08 0.00 0.00 0.00 175.30 174.90 1p4k s VAL 481 N -0.37 1.52 0.00 7.11 1.01 -1.26 -4.82 120.40 123.59 1p4k s VAL 481 Ca 0.55 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.76 1p4k s VAL 481 Cb -0.40 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 34.68 1p4k s VAL 481 CO 0.45 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.60 1p4k n GLY 482 N 3.13 2.34 0.14 4.51 0.00 -1.26 -4.92 105.19 109.14 1p4k n GLY 482 Ca -0.18 -1.92 0.07 0.00 0.00 0.00 0.00 46.02 44.00 1p4k n GLY 482 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1p4k h ASP 483 N 0.00 0.00 -0.97 1.61 2.03 -1.95 -3.40 116.42 113.74 1p4k h ASP 483 Ca 0.00 0.00 0.23 0.00 -0.73 0.00 0.00 57.03 56.53 1p4k h ASP 483 Cb 0.00 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 38.42 1p4k h ASP 483 CO 0.00 0.22 0.64 0.28 -1.03 0.00 0.00 179.24 179.35 1p4k h SER 484 N 0.00 0.42 -0.39 4.15 0.02 -1.91 -0.79 113.55 115.06 1p4k h SER 484 Ca -0.03 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1p4k h SER 484 Cb 1.20 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1p4k h SER 484 CO 0.02 0.13 0.00 -0.81 -1.14 0.00 0.00 176.83 175.04 1p4k n PRO 485 N -4.55 2.42 -3.47 3.45 -0.04 -1.26 -3.63 135.00 127.93 1p4k n PRO 485 Ca 0.22 -2.23 -0.40 0.00 -0.04 0.00 0.00 63.50 61.05 1p4k n PRO 485 Cb 0.78 -1.48 -0.10 0.00 -0.04 0.00 0.00 33.50 32.67 1p4k n PRO 485 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1p4k s ILE 486 N -1.36 5.23 0.16 0.52 1.01 -0.64 -4.62 121.20 121.49 1p4k s ILE 486 Ca 0.36 -0.02 -0.32 0.00 0.00 0.00 0.00 60.65 60.68 1p4k s ILE 486 Cb 0.21 -3.75 -0.10 0.00 0.01 0.00 0.00 42.46 38.83 1p4k s ILE 486 CO 0.29 -0.02 1.58 -0.63 0.00 0.00 0.00 174.94 176.16 1p4k s ILE 487 N 1.89 2.63 0.00 2.92 -1.09 -1.26 -1.35 121.20 124.93 1p4k s ILE 487 Ca 0.09 0.43 0.00 0.00 -2.23 0.00 0.00 60.65 58.95 1p4k s ILE 487 Cb -0.17 -3.28 0.00 0.00 -1.58 0.00 0.00 42.46 37.43 1p4k s ILE 487 CO 0.11 0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.46 1p4k n GLY 488 N 3.78 3.41 0.00 6.18 0.00 0.10 -4.87 105.19 113.80 1p4k n GLY 488 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1p4k n GLY 488 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p4k n ALA 489 N -1.65 0.40 0.25 4.61 0.00 -0.46 -1.52 120.51 122.14 1p4k n ALA 489 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1p4k n ALA 489 Cb 0.00 0.00 0.55 0.00 0.00 0.00 0.00 19.45 20.00 1p4k n ALA 489 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1p4k h GLY 490 N 0.00 0.00 -4.91 0.00 0.00 -0.36 -2.64 103.07 95.16 1p4k h GLY 490 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1p4k h GLY 490 CO 0.00 0.00 0.04 -2.27 0.00 0.00 0.00 176.54 174.31 1p4k s LEU 491 N -6.37 -0.41 -0.21 3.11 2.96 -1.24 -1.33 118.68 115.18 1p4k s LEU 491 Ca 0.02 1.17 -0.16 0.00 -0.22 0.00 0.00 54.13 54.93 1p4k s LEU 491 Cb 0.09 2.20 0.06 0.00 0.50 0.00 0.00 46.19 49.03 1p4k s LEU 491 CO 0.59 -0.28 0.54 0.12 -1.32 0.00 0.00 176.35 176.00 1p4k s PHE 492 N 0.09 -0.68 -0.06 5.38 2.19 -0.67 0.03 117.98 124.26 1p4k s PHE 492 Ca -0.02 1.54 -0.00 0.00 0.33 0.00 0.00 56.93 58.78 1p4k s PHE 492 Cb -0.04 0.29 0.03 0.00 -1.31 0.00 0.00 43.02 41.99 1p4k s PHE 492 CO 0.02 -0.34 -0.01 0.08 1.83 0.00 0.00 175.22 176.80 1p4k s VAL 493 N 0.75 0.38 -0.21 3.12 1.01 -1.26 -1.20 120.40 122.99 1p4k s VAL 493 Ca -0.04 0.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 1p4k s VAL 493 Cb -0.05 -0.49 0.06 0.00 0.00 0.00 0.00 36.38 35.90 1p4k s VAL 493 CO -0.06 0.23 -0.02 -0.62 0.00 0.00 0.00 175.10 174.63 1p4k s ASP 494 N 1.51 3.41 0.45 3.32 -1.08 -0.48 -4.72 116.67 119.07 1p4k s ASP 494 Ca -0.02 -0.99 0.30 0.00 -0.52 0.00 0.00 52.55 51.32 1p4k s ASP 494 Cb -0.13 -0.95 1.63 0.00 -1.46 0.00 0.00 42.92 42.01 1p4k s ASP 494 CO -0.03 -0.25 1.92 -1.13 0.52 0.00 0.00 175.17 176.20 1p4k h ASN 495 N 8.07 0.00 -0.01 -0.34 -1.24 -1.81 0.14 115.58 120.40 1p4k h ASN 495 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.83 1p4k h ASN 495 Cb 1.09 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.14 1p4k h ASN 495 CO 0.39 0.00 -0.02 -0.62 -1.29 0.00 0.00 177.43 175.88 1p4k n GLU 496 N -2.56 1.83 0.06 6.67 -0.58 -1.26 -4.73 120.64 120.07 1p4k n GLU 496 Ca -0.02 -1.26 0.00 0.00 -0.42 0.00 0.00 57.16 55.47 1p4k n GLU 496 Cb 0.05 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.45 1p4k n GLU 496 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1p4k n ILE 497 N 0.51 0.26 -3.37 -3.67 5.41 -0.15 -4.93 119.36 113.43 1p4k n ILE 497 Ca 0.17 0.09 0.00 0.00 1.00 0.00 0.00 62.75 64.00 1p4k n ILE 497 Cb 0.44 -0.67 0.00 0.00 -0.71 0.00 0.00 39.64 38.70 1p4k n ILE 497 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1p4k n GLY 498 N 2.24 -1.34 3.10 7.39 0.00 -0.16 -1.87 105.19 114.56 1p4k n GLY 498 Ca 0.00 -1.02 -0.07 0.00 0.00 0.00 0.00 46.02 44.93 1p4k n GLY 498 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p4k s ALA 499 N -1.04 0.41 -0.06 4.61 0.00 0.49 -1.38 121.76 124.79 1p4k s ALA 499 Ca 0.00 -1.12 -0.21 0.00 0.00 0.00 0.00 51.96 50.62 1p4k s ALA 499 Cb 0.00 0.29 0.05 0.00 0.00 0.00 0.00 23.12 23.46 1p4k s ALA 499 CO 0.00 -0.38 0.49 0.00 0.00 0.00 0.00 175.76 175.86 1p4k s ALA 500 N -3.87 -1.25 0.05 0.00 0.00 -0.34 -1.36 121.76 115.00 1p4k s ALA 500 Ca 0.06 0.91 0.01 0.00 0.00 0.00 0.00 51.96 52.94 1p4k s ALA 500 Cb 0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 1p4k s ALA 500 CO -0.10 -0.30 -0.05 -0.08 0.00 0.00 0.00 175.76 175.23 1p4k s THR 501 N -0.97 0.41 0.28 0.00 -1.32 -0.91 -1.67 115.64 111.45 1p4k s THR 501 Ca -0.10 -1.36 0.08 0.00 -1.21 0.00 0.00 61.69 59.10 1p4k s THR 501 Cb -0.03 -0.92 -0.06 0.00 -1.51 0.00 0.00 72.50 69.98 1p4k s THR 501 CO 0.06 -0.63 -0.09 0.00 -2.21 0.00 0.00 174.62 171.74 1p4k s ALA 502 N -2.35 2.41 0.02 11.08 0.00 -0.45 -2.09 121.76 130.38 1p4k s ALA 502 Ca -0.04 -1.89 -0.20 0.00 0.00 0.00 0.00 51.96 49.84 1p4k s ALA 502 Cb -0.03 0.07 0.04 0.00 0.00 0.00 0.00 23.12 23.20 1p4k s ALA 502 CO -0.03 0.00 0.45 -0.08 0.00 0.00 0.00 175.76 176.11 1p4k s THR 503 N -2.90 0.04 -1.05 0.00 -1.32 -0.67 -4.71 115.64 105.03 1p4k s THR 503 Ca 0.29 -0.35 0.00 0.00 -1.21 0.00 0.00 61.69 60.42 1p4k s THR 503 Cb 0.02 -0.89 0.00 0.00 -1.51 0.00 0.00 72.50 70.12 1p4k s THR 503 CO 0.12 -0.19 0.00 0.61 -2.21 0.00 0.00 174.62 172.95 1p4k n GLY 504 N 0.71 0.33 3.56 6.08 0.00 -1.26 -0.76 105.19 113.84 1p4k n GLY 504 Ca -0.19 -1.84 -0.31 0.00 0.00 0.00 0.00 46.02 43.68 1p4k n GLY 504 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1p4k s HIS 505 N -1.24 1.92 0.31 1.61 3.76 0.16 -4.84 115.29 116.97 1p4k s HIS 505 Ca 0.00 0.38 0.07 0.00 -0.15 0.00 0.00 55.06 55.36 1p4k s HIS 505 Cb 0.00 -4.18 0.83 0.00 1.11 0.00 0.00 32.58 30.34 1p4k s HIS 505 CO 0.00 -1.86 1.70 0.78 -0.85 0.00 0.00 174.74 174.51 1p4k h GLY 506 N 16.68 1.72 0.19 -2.22 0.00 -1.91 -0.94 103.07 116.59 1p4k h GLY 506 Ca 0.06 -0.21 0.21 0.00 0.00 0.00 0.00 47.33 47.38 1p4k h GLY 506 CO 1.25 -0.30 0.62 0.83 0.00 0.00 0.00 176.54 178.94 1p4k h GLU 507 N 0.43 0.51 0.00 4.80 3.07 -1.91 -0.58 114.58 120.91 1p4k h GLU 507 Ca 0.61 -0.03 -0.14 0.00 -0.50 0.00 0.00 59.36 59.30 1p4k h GLU 507 Cb 1.20 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.98 1p4k h GLU 507 CO -0.53 0.34 -0.68 0.93 -1.40 0.00 0.00 179.01 177.66 1p4k h GLU 508 N 0.53 0.00 0.01 2.33 4.39 -1.57 -2.07 114.58 118.19 1p4k h GLU 508 Ca 0.52 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.99 1p4k h GLU 508 Cb 1.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1p4k h GLU 508 CO -0.26 0.68 -0.96 0.28 -1.16 0.00 0.00 179.01 177.60 1p4k h VAL 509 N 0.00 1.40 -0.30 3.13 2.07 -1.19 -3.05 116.25 118.31 1p4k h VAL 509 Ca -0.01 -2.46 -0.04 0.00 0.82 0.00 0.00 66.70 65.01 1p4k h VAL 509 Cb 1.24 2.44 -0.01 0.00 -1.52 0.00 0.00 31.29 33.43 1p4k h VAL 509 CO 0.09 0.74 0.02 0.40 0.02 0.00 0.00 177.57 178.84 1p4k h ILE 510 N 0.23 1.25 0.00 4.57 2.04 -1.12 -0.35 117.51 124.13 1p4k h ILE 510 Ca -0.08 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 64.90 1p4k h ILE 510 Cb 1.60 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.91 1p4k h ILE 510 CO 0.17 0.29 0.00 0.08 0.00 0.00 0.00 178.15 178.68 1p4k h ARG 511 N 0.33 0.00 -0.04 2.37 0.11 -1.39 -2.30 114.38 113.45 1p4k h ARG 511 Ca 0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.17 1p4k h ARG 511 Cb 0.39 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.47 1p4k h ARG 511 CO 0.01 0.00 0.00 0.25 0.10 0.00 0.00 179.97 180.33 1p4k n THR 512 N -2.67 0.08 -3.98 0.08 -2.24 -1.13 -4.98 114.28 99.43 1p4k n THR 512 Ca -0.00 -0.54 -0.27 0.00 -2.27 0.00 0.00 64.05 60.97 1p4k n THR 512 Cb 0.18 1.17 -0.02 0.00 -2.10 0.00 0.00 70.33 69.56 1p4k n THR 512 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1p4k n VAL 513 N 0.60 -2.74 -0.23 2.28 0.31 -0.23 -4.74 118.33 113.58 1p4k n VAL 513 Ca 0.07 -0.39 -0.06 0.00 -0.01 0.00 0.00 64.34 63.95 1p4k n VAL 513 Cb 0.28 -2.56 -0.05 0.00 -0.91 0.00 0.00 33.84 30.60 1p4k n VAL 513 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1p4k n GLY 514 N -1.86 -2.30 0.17 2.92 0.00 -0.66 -1.99 105.19 101.47 1p4k n GLY 514 Ca -0.23 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.61 1p4k n GLY 514 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1p4k h THR 515 N 0.00 1.34 -0.61 2.61 1.35 -1.24 -1.04 112.91 115.32 1p4k h THR 515 Ca 0.09 -1.65 -0.07 0.00 -0.55 0.00 0.00 66.41 64.23 1p4k h THR 515 Cb 0.23 1.87 -0.02 0.00 -1.73 0.00 0.00 68.15 68.49 1p4k h THR 515 CO -0.52 0.47 0.12 -0.74 -0.25 0.00 0.00 175.52 174.61 1p4k h HIS 516 N 0.03 1.05 -0.37 4.73 6.17 -0.90 -1.36 115.15 124.51 1p4k h HIS 516 Ca -0.00 -0.14 -0.00 0.00 0.71 0.00 0.00 60.37 60.94 1p4k h HIS 516 Cb 0.86 -0.29 -0.02 0.00 2.52 0.00 0.00 27.41 30.48 1p4k h HIS 516 CO 0.00 0.90 0.22 1.25 0.71 0.00 0.00 177.93 181.01 1p4k h LEU 517 N 0.91 0.44 -0.54 0.26 5.85 -0.92 0.12 115.31 121.42 1p4k h LEU 517 Ca 0.19 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.88 1p4k h LEU 517 Cb 0.39 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 1p4k h LEU 517 CO 0.01 0.37 0.32 0.58 -0.34 0.00 0.00 178.44 179.38 1p4k h VAL 518 N 0.48 1.05 -0.43 1.05 2.07 -0.95 0.32 116.25 119.84 1p4k h VAL 518 Ca 0.13 -0.22 -0.15 0.00 0.82 0.00 0.00 66.70 67.29 1p4k h VAL 518 Cb 0.01 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1p4k h VAL 518 CO -0.02 0.12 -0.31 0.58 0.02 0.00 0.00 177.57 177.95 1p4k h VAL 519 N 0.64 1.27 -0.39 2.57 2.07 -0.97 -1.83 116.25 119.61 1p4k h VAL 519 Ca 0.22 -1.48 -0.04 0.00 0.82 0.00 0.00 66.70 66.22 1p4k h VAL 519 Cb 0.04 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1p4k h VAL 519 CO -0.10 0.50 0.05 -0.08 0.02 0.00 0.00 177.57 177.96 1p4k h GLU 520 N 0.81 0.59 -0.47 1.57 4.57 -0.43 0.37 114.58 121.59 1p4k h GLU 520 Ca 0.08 -0.12 -0.10 0.00 -1.18 0.00 0.00 59.36 58.05 1p4k h GLU 520 Cb 0.89 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.38 1p4k h GLU 520 CO 0.08 0.58 -0.10 -0.07 -1.18 0.00 0.00 179.01 178.32 1p4k h LEU 521 N 0.57 0.91 -1.44 1.64 3.38 -0.67 -1.01 115.31 118.68 1p4k h LEU 521 Ca 0.13 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 1p4k h LEU 521 Cb 0.29 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1p4k h LEU 521 CO 0.00 1.05 -0.02 0.24 0.09 0.00 0.00 178.44 179.81 1p4k h MET 522 N 0.75 0.34 -0.29 1.13 2.86 -0.61 -0.82 114.93 118.29 1p4k h MET 522 Ca 0.12 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.65 1p4k h MET 522 Cb 0.64 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 1p4k h MET 522 CO 0.04 0.39 -0.05 -0.97 1.06 0.00 0.00 176.91 177.38 1p4k h ASN 523 N 0.33 0.43 -0.00 1.22 -1.24 -0.23 -0.66 115.58 115.43 1p4k h ASN 523 Ca 0.08 -0.09 0.00 0.00 0.71 0.00 0.00 56.30 57.00 1p4k h ASN 523 Cb 0.26 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.19 1p4k h ASN 523 CO 0.01 0.54 0.00 0.00 -1.29 0.00 0.00 177.43 176.68 1p4k n GLN 524 N -4.27 1.06 0.00 6.67 6.02 -0.41 -4.89 117.38 121.57 1p4k n GLN 524 Ca 0.01 -0.09 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 1p4k n GLN 524 Cb 0.26 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.07 1p4k n GLN 524 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1p4k n GLY 525 N 0.97 0.57 3.77 1.08 0.00 -0.25 -5.07 105.19 106.26 1p4k n GLY 525 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 1p4k n GLY 525 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p4k s ARG 526 N -0.73 3.53 0.80 1.61 3.00 -0.63 -4.97 118.95 121.56 1p4k s ARG 526 Ca 0.00 1.80 -0.11 0.00 0.00 0.00 0.00 55.73 57.42 1p4k s ARG 526 Cb 0.00 -2.26 0.07 0.00 0.00 0.00 0.00 34.95 32.76 1p4k s ARG 526 CO 0.00 -0.75 1.09 0.95 0.00 0.00 0.00 175.30 176.59 1p4k s THR 527 N -1.56 3.15 0.21 0.02 -4.23 -1.26 -4.30 115.64 107.66 1p4k s THR 527 Ca 0.68 0.37 -0.09 0.00 -1.18 0.00 0.00 61.69 61.47 1p4k s THR 527 Cb -0.29 -3.04 0.15 0.00 1.34 0.00 0.00 72.50 70.66 1p4k s THR 527 CO 0.35 -0.49 1.76 -0.65 -0.54 0.00 0.00 174.62 175.05 1p4k h PRO 528 N -1.14 0.49 -0.45 3.99 0.11 -1.88 0.17 132.00 133.29 1p4k h PRO 528 Ca -0.47 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1p4k h PRO 528 Cb 1.26 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1p4k h PRO 528 CO 0.57 0.32 0.21 0.37 -0.21 0.00 0.00 178.00 179.27 1p4k h GLN 529 N 0.50 0.64 -0.68 1.05 -0.00 -1.83 -1.39 115.11 113.40 1p4k h GLN 529 Ca 0.31 -0.10 -0.02 0.00 -0.00 0.00 0.00 58.65 58.85 1p4k h GLN 529 Cb 0.33 -0.12 -0.03 0.00 0.00 0.00 0.00 27.48 27.67 1p4k h GLN 529 CO -0.27 0.55 0.35 1.96 0.00 0.00 0.00 178.83 181.43 1p4k h GLN 530 N 0.58 0.97 -0.48 1.69 4.20 -1.74 -1.42 115.11 118.91 1p4k h GLN 530 Ca 0.15 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1p4k h GLN 530 Cb 0.12 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1p4k h GLN 530 CO -0.02 0.75 0.27 0.00 -0.67 0.00 0.00 178.83 179.15 1p4k h ALA 531 N 1.17 0.61 -0.62 3.87 0.00 -0.41 -1.66 119.26 122.22 1p4k h ALA 531 Ca 0.24 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1p4k h ALA 531 Cb 0.08 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1p4k h ALA 531 CO -0.03 0.12 0.26 0.00 0.00 0.00 0.00 179.25 179.60 1p4k h LYS 533 N 0.86 0.85 -0.17 0.00 3.64 -1.01 -1.01 116.57 119.74 1p4k h LYS 533 Ca 0.21 -0.08 -0.11 0.00 -1.27 0.00 0.00 60.65 59.40 1p4k h LYS 533 Cb 0.17 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1p4k h LYS 533 CO -0.02 0.61 -0.38 0.93 -2.27 0.00 0.00 179.45 178.32 1p4k h GLU 534 N 0.85 0.36 -0.41 1.90 5.08 -1.21 0.06 114.58 121.22 1p4k h GLU 534 Ca 0.23 -0.17 -0.15 0.00 -1.00 0.00 0.00 59.36 58.27 1p4k h GLU 534 Cb -0.02 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1p4k h GLU 534 CO -0.04 0.69 -0.32 0.00 -1.00 0.00 0.00 179.01 178.34 1p4k h ALA 535 N 1.29 0.66 -0.56 3.43 0.00 -1.17 -0.55 119.26 122.37 1p4k h ALA 535 Ca 0.03 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1p4k h ALA 535 Cb 0.81 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1p4k h ALA 535 CO 0.06 0.67 0.21 0.28 0.00 0.00 0.00 179.25 180.48 1p4k h VAL 536 N 0.77 1.23 0.00 0.00 2.07 -0.86 -2.52 116.25 116.93 1p4k h VAL 536 Ca 0.08 -0.72 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 1p4k h VAL 536 Cb 0.89 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1p4k h VAL 536 CO 0.08 0.27 -0.23 -0.33 0.02 0.00 0.00 177.57 177.38 1p4k h GLU 537 N 0.76 0.00 -0.22 1.57 5.08 -0.65 -1.01 114.58 120.12 1p4k h GLU 537 Ca 0.18 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.39 1p4k h GLU 537 Cb 0.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1p4k h GLU 537 CO -0.01 0.23 -0.50 -0.09 -1.00 0.00 0.00 179.01 177.64 1p4k h ARG 538 N 0.00 0.59 -0.42 2.33 2.43 -0.76 -1.39 114.38 117.17 1p4k h ARG 538 Ca -0.00 -0.35 -0.14 0.00 -0.81 0.00 0.00 59.98 58.68 1p4k h ARG 538 Cb 0.44 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1p4k h ARG 538 CO 0.03 0.95 -0.30 0.82 -1.51 0.00 0.00 179.97 179.97 1p4k h ILE 539 N 0.46 1.27 -0.46 1.20 2.04 -0.95 -1.88 117.51 119.19 1p4k h ILE 539 Ca 0.02 -1.46 0.04 0.00 1.00 0.00 0.00 64.86 64.46 1p4k h ILE 539 Cb 1.04 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 38.37 1p4k h ILE 539 CO 0.10 0.49 0.23 0.58 0.00 0.00 0.00 178.15 179.55 1p4k h VAL 540 N 0.77 0.96 -0.42 1.67 2.07 -1.00 0.13 116.25 120.43 1p4k h VAL 540 Ca 0.08 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1p4k h VAL 540 Cb 0.88 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1p4k h VAL 540 CO 0.08 0.08 0.23 0.50 0.02 0.00 0.00 177.57 178.49 1p4k h LYS 541 N 0.46 0.58 -0.61 1.57 3.64 -1.11 -2.37 116.57 118.73 1p4k h LYS 541 Ca 0.20 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.43 1p4k h LYS 541 Cb 0.11 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1p4k h LYS 541 CO -0.15 0.46 0.05 0.82 -2.27 0.00 0.00 179.45 178.36 1p4k h ILE 542 N 0.54 1.26 -0.52 2.00 2.04 -0.81 -0.57 117.51 121.45 1p4k h ILE 542 Ca 0.15 -1.08 0.04 0.00 1.00 0.00 0.00 64.86 64.97 1p4k h ILE 542 Cb 0.04 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 1p4k h ILE 542 CO -0.02 0.39 0.28 0.58 0.00 0.00 0.00 178.15 179.38 1p4k h VAL 543 N 0.96 1.00 -0.27 1.67 2.07 -0.61 -0.30 116.25 120.76 1p4k h VAL 543 Ca 0.18 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1p4k h VAL 543 Cb 0.49 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1p4k h VAL 543 CO 0.02 0.10 0.11 -1.13 0.02 0.00 0.00 177.57 176.70 1p4k h ASN 544 N 0.56 0.37 0.07 0.57 -0.73 -1.12 -1.08 115.58 114.21 1p4k h ASN 544 Ca 0.22 -0.15 -0.01 0.00 1.87 0.00 0.00 56.30 58.22 1p4k h ASN 544 Cb 0.08 -0.09 -0.00 0.00 0.27 0.00 0.00 38.32 38.58 1p4k h ASN 544 CO -0.13 0.42 -0.05 0.03 -0.37 0.00 0.00 177.43 177.33 1p4k h ARG 545 N 0.29 0.00 -0.23 6.67 3.08 -0.56 -0.64 114.38 122.99 1p4k h ARG 545 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1p4k h ARG 545 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1p4k h ARG 545 CO -0.01 0.05 0.00 0.54 -1.07 0.00 0.00 179.97 179.48 1p4k n ARG 546 N -4.27 1.71 -2.17 0.04 1.74 -0.17 -4.92 116.66 108.62 1p4k n ARG 546 Ca -0.03 -1.09 -0.13 0.00 -0.77 0.00 0.00 57.85 55.83 1p4k n ARG 546 Cb 0.13 -1.33 -0.01 0.00 -1.02 0.00 0.00 32.46 30.23 1p4k n ARG 546 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1p4k n GLY 547 N 1.07 -0.03 3.92 -0.13 0.00 -0.25 -5.02 105.19 104.75 1p4k n GLY 547 Ca 0.14 -0.35 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 1p4k n GLY 547 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p4k s LYS 548 N -4.51 2.75 -0.27 1.61 -0.14 -0.43 -5.04 119.74 113.70 1p4k s LYS 548 Ca 0.00 -1.31 -0.09 0.00 -1.36 0.00 0.00 55.97 53.21 1p4k s LYS 548 Cb 0.00 -2.57 -0.03 0.00 -1.68 0.00 0.00 37.83 33.55 1p4k s LYS 548 CO 0.00 -0.09 0.13 1.21 -0.76 0.00 0.00 175.35 175.85 1p4k s ASN 549 N -4.15 5.54 0.61 2.83 3.84 -1.26 -4.43 114.94 117.92 1p4k s ASN 549 Ca 0.47 -0.21 0.30 0.00 0.21 0.00 0.00 52.86 53.63 1p4k s ASN 549 Cb -0.07 -2.01 1.60 0.00 -0.55 0.00 0.00 41.25 40.23 1p4k s ASN 549 CO 0.29 -0.08 1.98 0.25 -2.79 0.00 0.00 177.10 176.76 1p4k h LEU 550 N 8.31 0.00 -1.95 3.21 5.85 -1.94 -0.86 115.31 127.93 1p4k h LEU 550 Ca -0.36 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.34 1p4k h LEU 550 Cb 1.17 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 1p4k h LEU 550 CO 0.58 0.00 -0.10 0.50 -0.34 0.00 0.00 178.44 179.07 1p4k h LYS 551 N 0.00 0.00 -0.06 1.25 1.63 -2.01 -2.02 116.57 115.36 1p4k h LYS 551 Ca 0.11 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.91 1p4k h LYS 551 Cb 0.79 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.42 1p4k h LYS 551 CO -0.00 0.10 0.00 -0.25 -3.45 0.00 0.00 179.45 175.85 1p4k n ASP 552 N -3.59 1.11 -4.19 4.20 8.00 -0.33 -4.87 116.55 116.88 1p4k n ASP 552 Ca -0.02 -1.49 -0.28 0.00 0.71 0.00 0.00 54.79 53.71 1p4k n ASP 552 Cb 0.23 -0.04 -0.16 0.00 -0.02 0.00 0.00 41.12 41.13 1p4k n ASP 552 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1p4k s ILE 553 N -1.92 1.71 -0.06 0.53 -1.09 -0.76 -4.94 121.20 114.67 1p4k s ILE 553 Ca 0.36 -0.87 0.01 0.00 -2.23 0.00 0.00 60.65 57.91 1p4k s ILE 553 Cb 0.19 -1.46 0.02 0.00 -1.58 0.00 0.00 42.46 39.63 1p4k s ILE 553 CO 0.30 0.48 -0.05 -1.58 -1.23 0.00 0.00 174.94 172.86 1p4k s GLN 554 N -0.05 0.95 -0.06 2.79 2.00 -1.26 -4.60 119.66 119.44 1p4k s GLN 554 Ca -0.04 -0.12 -0.04 0.00 -2.00 0.00 0.00 55.36 53.16 1p4k s GLN 554 Cb -0.13 -0.98 0.03 0.00 0.80 0.00 0.00 33.01 32.73 1p4k s GLN 554 CO 0.03 -0.11 0.14 0.08 -0.50 0.00 0.00 175.29 174.92 1p4k s VAL 555 N 1.10 -0.02 -0.02 1.34 1.01 -1.26 -0.67 120.40 121.87 1p4k s VAL 555 Ca -0.08 0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.04 1p4k s VAL 555 Cb -0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 36.38 36.02 1p4k s VAL 555 CO -0.01 0.04 -0.18 -0.83 0.00 0.00 0.00 175.10 174.12 1p4k s GLY 556 N 0.61 0.90 0.02 4.51 0.00 0.06 -1.60 107.32 111.82 1p4k s GLY 556 Ca -0.04 -0.76 0.08 0.00 0.00 0.00 0.00 44.72 44.00 1p4k s GLY 556 CO -0.03 -0.57 -0.24 -1.36 0.00 0.00 0.00 173.10 170.90 1p4k s PHE 557 N -0.29 2.16 0.06 1.90 0.40 -0.51 -1.67 117.98 120.03 1p4k s PHE 557 Ca 0.04 -0.40 0.05 0.00 -0.60 0.00 0.00 56.93 56.02 1p4k s PHE 557 Cb -0.08 -1.33 -0.03 0.00 0.51 0.00 0.00 43.02 42.09 1p4k s PHE 557 CO 0.00 0.06 -0.15 0.96 0.70 0.00 0.00 175.22 176.79 1p4k s ILE 558 N -0.71 1.19 0.10 0.64 -4.36 -0.89 -2.16 121.20 115.01 1p4k s ILE 558 Ca 0.10 -1.20 -0.10 0.00 -0.26 0.00 0.00 60.65 59.20 1p4k s ILE 558 Cb -0.09 -1.11 0.00 0.00 1.25 0.00 0.00 42.46 42.51 1p4k s ILE 558 CO 0.01 -0.10 0.22 0.00 0.24 0.00 0.00 174.94 175.31 1p4k s ALA 559 N -1.07 -0.31 -0.08 2.27 0.00 0.21 -2.13 121.76 120.66 1p4k s ALA 559 Ca 0.01 -0.55 -0.07 0.00 0.00 0.00 0.00 51.96 51.35 1p4k s ALA 559 Cb -0.09 0.52 0.03 0.00 0.00 0.00 0.00 23.12 23.58 1p4k s ALA 559 CO 0.02 -0.53 0.21 -1.17 0.00 0.00 0.00 175.76 174.29 1p4k s LEU 560 N -2.86 1.06 0.54 0.00 2.96 -0.46 -1.61 118.68 118.30 1p4k s LEU 560 Ca 0.05 0.43 0.07 0.00 -0.22 0.00 0.00 54.13 54.46 1p4k s LEU 560 Cb 0.04 0.70 0.05 0.00 0.50 0.00 0.00 46.19 47.48 1p4k s LEU 560 CO -0.11 -0.09 0.53 0.54 -1.32 0.00 0.00 176.35 175.90 1p4k s ASN 561 N 0.34 4.85 0.64 3.68 2.20 -0.53 -0.38 114.94 125.74 1p4k s ASN 561 Ca -0.02 -1.05 0.38 0.00 -0.94 0.00 0.00 52.86 51.24 1p4k s ASN 561 Cb -0.03 0.25 2.11 0.00 -2.00 0.00 0.00 41.25 41.58 1p4k s ASN 561 CO -0.01 -1.13 2.25 0.50 -2.94 0.00 0.00 177.10 175.77 1p4k h LYS 562 N 0.59 0.00 -0.01 3.55 1.63 -1.71 -0.60 116.57 120.02 1p4k h LYS 562 Ca -0.35 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.45 1p4k h LYS 562 Cb 1.29 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.92 1p4k h LYS 562 CO 0.52 0.00 -0.11 1.63 -3.45 0.00 0.00 179.45 178.04 1p4k n LYS 563 N -3.28 1.27 -0.64 1.90 5.02 -1.26 -4.91 118.16 116.25 1p4k n LYS 563 Ca -0.02 -0.71 0.00 0.00 -2.02 0.00 0.00 58.31 55.55 1p4k n LYS 563 Cb 0.15 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 1p4k n LYS 563 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1p4k n GLY 564 N 1.24 0.71 3.80 0.72 0.00 -0.23 -1.18 105.19 110.24 1p4k n GLY 564 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1p4k n GLY 564 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1p4k s GLU 565 N -0.36 4.08 0.20 1.61 2.02 -1.26 -4.65 118.70 120.34 1p4k s GLU 565 Ca 0.00 1.33 -0.02 0.00 0.02 0.00 0.00 54.97 56.30 1p4k s GLU 565 Cb 0.00 -2.29 -0.04 0.00 0.10 0.00 0.00 34.13 31.90 1p4k s GLU 565 CO 0.00 -0.18 0.16 1.52 0.02 0.00 0.00 175.26 176.77 1p4k s TYR 566 N -1.92 1.08 0.01 1.61 -0.85 -1.26 -1.46 117.35 114.56 1p4k s TYR 566 Ca 0.62 -1.32 -0.29 0.00 -0.52 0.00 0.00 57.07 55.56 1p4k s TYR 566 Cb -0.16 -0.49 0.11 0.00 0.38 0.00 0.00 41.96 41.79 1p4k s TYR 566 CO 0.20 -0.66 1.25 0.20 -1.52 0.00 0.00 175.55 175.02 1p4k s GLY 567 N -3.14 -0.27 0.26 5.49 0.00 -0.63 -4.36 107.32 104.66 1p4k s GLY 567 Ca 0.37 0.37 -0.21 0.00 0.00 0.00 0.00 44.72 45.25 1p4k s GLY 567 CO 0.11 1.97 0.69 0.00 0.00 0.00 0.00 173.10 175.88 1p4k s ALA 568 N -2.33 -1.26 -0.11 3.20 0.00 -1.26 -0.62 121.76 119.39 1p4k s ALA 568 Ca 0.19 -0.20 -0.30 0.00 0.00 0.00 0.00 51.96 51.66 1p4k s ALA 568 Cb 0.02 0.86 0.11 0.00 0.00 0.00 0.00 23.12 24.12 1p4k s ALA 568 CO -0.02 -0.99 0.93 -0.47 0.00 0.00 0.00 175.76 175.22 1p4k s TYR 569 N -3.89 -0.40 0.24 0.00 5.04 -0.92 -4.40 117.35 113.02 1p4k s TYR 569 Ca 0.10 0.59 -0.06 0.00 -2.44 0.00 0.00 57.07 55.25 1p4k s TYR 569 Cb -0.05 0.47 -0.02 0.00 0.35 0.00 0.00 41.96 42.71 1p4k s TYR 569 CO 0.04 -0.42 0.32 0.00 -1.34 0.00 0.00 175.55 174.15 1p4k h ILE 571 N 2.39 0.94 -3.71 0.00 2.04 -1.62 -1.37 117.51 116.19 1p4k h ILE 571 Ca -0.30 -1.41 -0.67 0.00 1.00 0.00 0.00 64.86 63.47 1p4k h ILE 571 Cb 1.25 1.67 -0.18 0.00 -0.74 0.00 0.00 36.82 38.82 1p4k h ILE 571 CO 0.43 0.28 -0.78 -1.10 0.00 0.00 0.00 178.15 176.98 1p4k s GLN 572 N -2.80 1.96 0.82 2.37 -0.21 -1.26 0.06 119.66 120.60 1p4k s GLN 572 Ca -0.12 -1.09 -0.13 0.00 0.02 0.00 0.00 55.36 54.04 1p4k s GLN 572 Cb -0.00 -2.20 0.08 0.00 1.00 0.00 0.00 33.01 31.88 1p4k s GLN 572 CO 0.45 0.50 1.08 -3.47 -2.12 0.00 0.00 175.29 171.73 1p4k n ASP 573 N 0.91 0.54 0.00 5.90 2.03 -1.26 -3.89 116.55 120.77 1p4k n ASP 573 Ca -0.15 0.55 0.00 0.00 0.52 0.00 0.00 54.79 55.71 1p4k n ASP 573 Cb 0.52 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.47 1p4k n ASP 573 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1p4k n GLY 574 N 0.68 2.15 3.70 0.27 0.00 -1.26 -4.95 105.19 105.78 1p4k n GLY 574 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1p4k n GLY 574 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1p4k s PHE 575 N -2.34 3.47 0.37 1.61 5.36 -1.25 -4.41 117.98 120.79 1p4k s PHE 575 Ca 0.00 0.93 0.07 0.00 -0.96 0.00 0.00 56.93 56.97 1p4k s PHE 575 Cb 0.00 -2.66 -0.07 0.00 -0.34 0.00 0.00 43.02 39.94 1p4k s PHE 575 CO 0.00 0.04 -0.00 -0.80 -1.46 0.00 0.00 175.22 172.99 1p4k s ASN 576 N 0.86 3.49 0.06 6.13 0.02 -1.26 -4.26 114.94 119.98 1p4k s ASN 576 Ca 0.28 -1.33 -0.02 0.00 -1.02 0.00 0.00 52.86 50.77 1p4k s ASN 576 Cb -0.16 -0.32 -0.04 0.00 0.02 0.00 0.00 41.25 40.76 1p4k s ASN 576 CO 0.11 -0.43 -0.00 0.72 0.02 0.00 0.00 177.10 177.52 1p4k s PHE 577 N -2.82 0.50 -0.08 2.20 -0.12 -0.22 -1.52 117.98 115.91 1p4k s PHE 577 Ca 0.34 -1.03 0.01 0.00 -0.05 0.00 0.00 56.93 56.21 1p4k s PHE 577 Cb 0.08 -0.36 -0.02 0.00 -0.63 0.00 0.00 43.02 42.09 1p4k s PHE 577 CO 0.17 -0.40 -0.11 0.00 -0.05 0.00 0.00 175.22 174.83 1p4k s ALA 578 N -3.92 2.78 -0.07 1.99 0.00 -0.35 -0.09 121.76 122.10 1p4k s ALA 578 Ca 0.07 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.14 1p4k s ALA 578 Cb 0.08 -1.16 0.02 0.00 0.00 0.00 0.00 23.12 22.06 1p4k s ALA 578 CO -0.10 0.46 -0.10 0.54 0.00 0.00 0.00 175.76 176.56 1p4k s VAL 579 N -0.40 1.01 -0.15 0.00 0.11 0.16 -1.42 120.40 119.70 1p4k s VAL 579 Ca 0.05 -0.39 0.02 0.00 -2.93 0.00 0.00 61.98 58.73 1p4k s VAL 579 Cb -0.12 -0.94 0.02 0.00 -1.53 0.00 0.00 36.38 33.80 1p4k s VAL 579 CO 0.02 0.33 -0.19 -2.28 -3.33 0.00 0.00 175.10 169.65 1p4k s HIS 580 N 0.82 2.51 0.04 1.54 2.46 0.32 -0.04 115.29 122.93 1p4k s HIS 580 Ca -0.12 -1.35 0.01 0.00 0.47 0.00 0.00 55.06 54.07 1p4k s HIS 580 Cb -0.15 -1.75 -0.00 0.00 -0.13 0.00 0.00 32.58 30.55 1p4k s HIS 580 CO 0.02 -0.66 0.03 -0.40 -2.47 0.00 0.00 174.74 171.26 1p4k n ASP 581 N 4.37 0.16 0.21 9.88 3.85 -0.28 -1.15 116.55 133.59 1p4k n ASP 581 Ca -0.20 -1.23 0.15 0.00 -0.71 0.00 0.00 54.79 52.80 1p4k n ASP 581 Cb 0.51 0.16 0.75 0.00 -1.35 0.00 0.00 41.12 41.19 1p4k n ASP 581 CO 0.00 0.00 0.00 1.56 -1.01 0.00 0.00 177.20 177.75 1p4k h GLN 582 N 0.00 0.00 0.00 0.11 4.20 -1.91 -0.75 115.11 116.76 1p4k h GLN 582 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1p4k h GLN 582 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1p4k h GLN 582 CO 0.04 0.00 -0.56 -0.22 -0.67 0.00 0.00 178.83 177.42 1p4k h LYS 583 N 0.00 0.00 0.00 1.46 3.64 -1.95 -3.50 116.57 116.22 1p4k h LYS 583 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1p4k h LYS 583 Cb 0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1p4k h LYS 583 CO 0.00 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.59 1p4k n GLY 584 N 1.23 0.78 3.53 5.01 0.00 -0.29 -5.08 105.19 110.37 1p4k n GLY 584 Ca 0.03 -1.89 -0.35 0.00 0.00 0.00 0.00 46.02 43.81 1p4k n GLY 584 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1p4k s ASN 585 N -1.56 5.13 0.01 1.61 2.47 -1.26 -1.13 114.94 120.21 1p4k s ASN 585 Ca 0.00 -0.08 0.03 0.00 0.42 0.00 0.00 52.86 53.23 1p4k s ASN 585 Cb 0.00 -1.87 -0.01 0.00 -1.45 0.00 0.00 41.25 37.92 1p4k s ASN 585 CO 0.00 0.12 -0.11 -0.13 -3.72 0.00 0.00 177.10 173.27 1p4k s ARG 586 N 0.66 0.81 -0.34 0.43 0.52 0.94 -4.96 118.95 117.02 1p4k s ARG 586 Ca 0.01 -0.47 -0.16 0.00 -0.52 0.00 0.00 55.73 54.58 1p4k s ARG 586 Cb -0.14 -0.77 -0.01 0.00 0.52 0.00 0.00 34.95 34.55 1p4k s ARG 586 CO 0.02 0.20 0.43 -1.17 0.02 0.00 0.00 175.30 174.80 1p4k s LEU 587 N -0.54 4.35 0.15 2.53 2.96 -1.26 -0.67 118.68 126.21 1p4k s LEU 587 Ca 0.02 -0.08 0.10 0.00 -0.22 0.00 0.00 54.13 53.95 1p4k s LEU 587 Cb -0.05 -2.45 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 1p4k s LEU 587 CO 0.00 -0.38 -0.17 -1.61 -1.32 0.00 0.00 176.35 172.87 1p4k s GLU 588 N 2.17 1.79 -0.26 1.98 2.02 0.87 -4.96 118.70 122.31 1p4k s GLU 588 Ca 0.15 -1.29 0.01 0.00 0.02 0.00 0.00 54.97 53.86 1p4k s GLU 588 Cb -0.16 -2.06 0.05 0.00 0.10 0.00 0.00 34.13 32.06 1p4k s GLU 588 CO 0.12 0.45 -0.09 0.99 0.02 0.00 0.00 175.26 176.75 1p4k s THR 589 N -1.41 2.45 0.91 3.63 2.01 -1.26 -1.06 115.64 120.91 1p4k s THR 589 Ca 0.20 -1.39 -0.14 0.00 0.31 0.00 0.00 61.69 60.67 1p4k s THR 589 Cb -0.09 -2.35 0.15 0.00 0.01 0.00 0.00 72.50 70.22 1p4k s THR 589 CO 0.11 0.07 1.26 -2.16 -0.69 0.00 0.00 174.62 173.21 1p4k s PRO 590 N 1.20 1.12 0.62 4.92 0.04 -1.26 -5.05 135.00 136.58 1p4k s PRO 590 Ca -0.05 -0.18 -0.13 0.00 0.04 0.00 0.00 61.00 60.68 1p4k s PRO 590 Cb -0.18 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 1p4k s PRO 590 CO -0.05 -2.13 1.04 0.20 0.04 0.00 0.00 177.00 176.10 1p4k s GLY 591 N -4.73 1.81 0.09 0.56 0.00 -1.26 -4.87 107.32 98.92 1p4k s GLY 591 Ca 0.69 0.09 0.05 0.00 0.00 0.00 0.00 44.72 45.55 1p4k s GLY 591 CO 0.52 0.38 -0.14 -0.11 0.00 0.00 0.00 173.10 173.74 1p4k s PHE 592 N -2.92 1.27 0.09 1.90 -0.12 -1.26 -2.08 117.98 114.85 1p4k s PHE 592 Ca 0.58 -0.49 -0.05 0.00 -0.05 0.00 0.00 56.93 56.91 1p4k s PHE 592 Cb -0.12 -0.70 -0.24 0.00 -0.63 0.00 0.00 43.02 41.33 1p4k s PHE 592 CO 0.47 0.08 1.18 0.00 -0.05 0.00 0.00 175.22 176.90 1p4k h ALA 593 N 4.06 0.15 -1.24 1.99 0.00 -0.70 -3.43 119.26 120.09 1p4k h ALA 593 Ca -0.41 -0.83 -0.55 0.00 0.00 0.00 0.00 54.91 53.12 1p4k h ALA 593 Cb 1.19 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.91 1p4k h ALA 593 CO 0.43 0.90 1.25 -1.17 0.00 0.00 0.00 179.25 180.66 1p4k s LEU 594 N -7.35 3.31 0.00 0.00 0.20 0.11 -5.05 118.68 109.90 1p4k s LEU 594 Ca -0.05 -0.85 0.27 0.00 0.69 0.00 0.00 54.13 54.20 1p4k s LEU 594 Cb 0.07 -2.56 0.94 0.00 -0.43 0.00 0.00 46.19 44.21 1p4k s LEU 594 CO 0.88 -1.76 1.68 0.29 -0.29 0.00 0.00 176.35 177.16