#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qkt s SER 305 N 0.00 -0.20 -0.89 1.20 1.04 -1.26 -5.03 113.70 108.56 1qkt s SER 305 Ca 0.00 -0.72 -0.20 0.00 0.48 0.00 0.00 55.95 55.52 1qkt s SER 305 Cb 0.00 0.68 -0.12 0.00 0.10 0.00 0.00 66.02 66.68 1qkt s SER 305 CO 0.00 -1.28 1.99 -0.11 0.98 0.00 0.00 173.24 174.82 1qkt n LEU 306 N -0.43 4.58 0.04 2.42 7.94 -1.26 -2.61 117.00 127.68 1qkt n LEU 306 Ca -0.03 -3.08 0.00 0.00 -1.11 0.00 0.00 56.01 51.78 1qkt n LEU 306 Cb 0.60 -1.19 0.00 0.00 0.53 0.00 0.00 43.42 43.36 1qkt n LEU 306 CO 0.18 -0.07 0.00 0.00 -1.11 0.00 0.00 177.39 176.39 1qkt n ALA 307 N 7.05 0.00 0.84 1.96 0.00 -1.26 -4.47 120.51 124.63 1qkt n ALA 307 Ca 0.50 0.00 0.13 0.00 0.00 0.00 0.00 53.44 54.07 1qkt n ALA 307 Cb 0.38 0.00 0.45 0.00 0.00 0.00 0.00 19.45 20.29 1qkt n ALA 307 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1qkt n LEU 308 N -2.61 0.39 0.13 0.00 4.32 -1.07 -3.72 117.00 114.43 1qkt n LEU 308 Ca 0.00 0.42 -0.22 0.00 -0.02 0.00 0.00 56.01 56.19 1qkt n LEU 308 Cb 0.00 -0.38 -0.15 0.00 -1.62 0.00 0.00 43.42 41.27 1qkt n LEU 308 CO 0.00 -0.04 -0.19 0.28 -1.22 0.00 0.00 177.39 176.22 1qkt h SER 309 N 0.00 0.70 -2.98 -1.43 0.02 -1.86 -3.48 113.55 104.52 1qkt h SER 309 Ca 0.00 -0.76 -0.58 0.00 -0.84 0.00 0.00 61.79 59.61 1qkt h SER 309 Cb 0.60 -0.23 0.18 0.00 0.14 0.00 0.00 62.40 63.08 1qkt h SER 309 CO 0.00 1.60 -0.44 0.18 -1.14 0.00 0.00 176.83 177.03 1qkt n LEU 310 N -3.65 0.54 -4.97 5.07 4.77 -1.24 -5.02 117.00 112.50 1qkt n LEU 310 Ca -0.15 0.68 -0.22 0.00 -0.03 0.00 0.00 56.01 56.30 1qkt n LEU 310 Cb 1.08 -1.17 -0.02 0.00 -2.33 0.00 0.00 43.42 40.98 1qkt n LEU 310 CO 0.58 -3.18 -0.01 0.42 -1.33 0.00 0.00 177.39 173.87 1qkt s THR 311 N -1.78 5.24 0.19 -5.08 -4.23 -1.26 -4.90 115.64 103.81 1qkt s THR 311 Ca 0.67 -0.91 -0.25 0.00 -1.18 0.00 0.00 61.69 60.02 1qkt s THR 311 Cb -0.42 -3.86 0.06 0.00 1.34 0.00 0.00 72.50 69.63 1qkt s THR 311 CO 0.56 -0.35 1.55 0.00 -0.54 0.00 0.00 174.62 175.84 1qkt h ALA 312 N 1.16 -0.26 0.00 3.99 0.00 -1.94 0.49 119.26 122.69 1qkt h ALA 312 Ca -0.52 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1qkt h ALA 312 Cb 1.23 1.18 -0.00 0.00 0.00 0.00 0.00 17.79 20.20 1qkt h ALA 312 CO 0.61 -0.82 -0.04 -0.44 0.00 0.00 0.00 179.25 178.56 1qkt h ASP 313 N -0.04 0.00 -0.21 0.00 3.32 -1.96 -1.20 116.42 116.33 1qkt h ASP 313 Ca 0.23 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.10 1qkt h ASP 313 Cb 0.51 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 1qkt h ASP 313 CO -0.92 0.04 -0.55 1.56 -1.72 0.00 0.00 179.24 177.65 1qkt h GLN 314 N 0.00 0.80 -0.12 3.56 4.20 -0.48 -1.96 115.11 121.11 1qkt h GLN 314 Ca -0.00 -0.51 -0.01 0.00 0.06 0.00 0.00 58.65 58.18 1qkt h GLN 314 Cb 0.08 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 1qkt h GLN 314 CO 0.01 1.14 0.02 1.98 -0.67 0.00 0.00 178.83 181.31 1qkt h MET 315 N 0.61 0.20 0.21 1.46 4.05 -0.17 -0.88 114.93 120.43 1qkt h MET 315 Ca 0.01 -0.06 0.01 0.00 -0.28 0.00 0.00 59.70 59.39 1qkt h MET 315 Cb 1.15 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.89 1qkt h MET 315 CO 0.12 0.40 -0.40 0.28 0.23 0.00 0.00 176.91 177.54 1qkt h VAL 316 N -0.02 0.19 -0.76 -5.77 2.07 -1.25 0.11 116.25 110.82 1qkt h VAL 316 Ca 0.04 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.68 1qkt h VAL 316 Cb 0.30 0.19 -0.08 0.00 -1.52 0.00 0.00 31.29 30.17 1qkt h VAL 316 CO 0.00 0.00 0.36 0.28 0.02 0.00 0.00 177.57 178.23 1qkt h SER 317 N -0.69 0.43 0.28 0.57 0.02 -1.32 0.12 113.55 112.96 1qkt h SER 317 Ca 0.00 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1qkt h SER 317 Cb 0.68 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 1qkt h SER 317 CO -0.18 0.21 -0.24 0.00 -1.14 0.00 0.00 176.83 175.48 1qkt h ALA 318 N 1.49 -0.52 -0.70 3.77 0.00 -0.49 -0.78 119.26 122.04 1qkt h ALA 318 Ca 0.39 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.23 1qkt h ALA 318 Cb 0.50 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 1qkt h ALA 318 CO -0.33 -0.82 0.45 -0.07 0.00 0.00 0.00 179.25 178.49 1qkt h LEU 319 N -0.53 0.77 -0.35 0.00 3.38 0.08 -1.67 115.31 116.98 1qkt h LEU 319 Ca -0.01 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1qkt h LEU 319 Cb 0.48 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1qkt h LEU 319 CO -0.03 0.55 0.03 -0.07 0.09 0.00 0.00 178.44 179.01 1qkt h LEU 320 N 0.91 0.58 -1.61 1.67 3.38 -0.66 -2.86 115.31 116.72 1qkt h LEU 320 Ca 0.26 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1qkt h LEU 320 Cb -0.06 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 1qkt h LEU 320 CO -0.07 0.72 -0.15 0.44 0.09 0.00 0.00 178.44 179.46 1qkt h ASP 321 N 0.42 0.00 0.62 -0.43 3.32 -0.95 -2.48 116.42 116.93 1qkt h ASP 321 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1qkt h ASP 321 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1qkt h ASP 321 CO 0.01 0.15 -0.18 0.00 -1.72 0.00 0.00 179.24 177.50 1qkt n ALA 322 N -2.24 2.83 -1.54 3.45 0.00 -0.65 -4.94 120.51 117.43 1qkt n ALA 322 Ca -0.01 -0.23 -0.48 0.00 0.00 0.00 0.00 53.44 52.72 1qkt n ALA 322 Cb 0.31 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.41 1qkt n ALA 322 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1qkt n GLU 323 N -1.30 0.89 -1.86 0.00 -0.58 -0.94 -4.61 120.64 112.25 1qkt n GLU 323 Ca 0.09 0.31 -0.30 0.00 -0.42 0.00 0.00 57.16 56.85 1qkt n GLU 323 Cb 0.31 -1.64 0.07 0.00 -0.57 0.00 0.00 31.44 29.61 1qkt n GLU 323 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1qkt s PRO 324 N -0.95 2.45 0.68 3.49 0.04 -1.26 -5.03 135.00 134.41 1qkt s PRO 324 Ca 0.66 0.35 -0.10 0.00 0.04 0.00 0.00 61.00 61.96 1qkt s PRO 324 Cb -0.84 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 31.74 1qkt s PRO 324 CO 0.56 -1.30 1.04 -1.25 0.04 0.00 0.00 177.00 176.09 1qkt s PRO 325 N -5.42 2.77 -0.49 0.56 0.04 -1.26 -5.03 135.00 126.18 1qkt s PRO 325 Ca 0.60 0.25 -0.16 0.00 0.04 0.00 0.00 61.00 61.73 1qkt s PRO 325 Cb -0.11 -2.10 0.07 0.00 0.04 0.00 0.00 34.50 32.40 1qkt s PRO 325 CO 0.51 -0.98 0.46 0.42 0.04 0.00 0.00 177.00 177.45 1qkt s ILE 326 N -3.26 5.14 0.71 0.56 1.01 -1.26 -5.06 121.20 119.04 1qkt s ILE 326 Ca 0.57 -0.96 -0.11 0.00 0.00 0.00 0.00 60.65 60.15 1qkt s ILE 326 Cb -0.11 -4.19 0.02 0.00 0.01 0.00 0.00 42.46 38.19 1qkt s ILE 326 CO 0.49 -0.66 1.07 -0.76 0.00 0.00 0.00 174.94 175.08 1qkt s LEU 327 N 1.89 2.99 0.13 2.97 1.43 -1.26 -4.95 118.68 121.87 1qkt s LEU 327 Ca 0.07 1.45 0.05 0.00 -1.03 0.00 0.00 54.13 54.66 1qkt s LEU 327 Cb -0.23 -4.28 -0.04 0.00 0.03 0.00 0.00 46.19 41.67 1qkt s LEU 327 CO 0.08 -1.47 0.07 -0.31 0.23 0.00 0.00 176.35 174.95 1qkt s TYR 328 N -3.13 3.09 0.21 0.29 1.51 -1.26 -4.41 117.35 113.64 1qkt s TYR 328 Ca 0.58 -0.01 -0.30 0.00 -1.01 0.00 0.00 57.07 56.34 1qkt s TYR 328 Cb -0.13 -1.53 -0.08 0.00 -0.11 0.00 0.00 41.96 40.10 1qkt s TYR 328 CO 0.54 0.51 1.11 0.45 -1.11 0.00 0.00 175.55 177.05 1qkt s SER 329 N -2.71 7.25 -0.66 2.29 0.15 -1.26 -4.96 113.70 113.81 1qkt s SER 329 Ca 0.29 2.16 -0.22 0.00 0.70 0.00 0.00 55.95 58.88 1qkt s SER 329 Cb -0.11 -2.61 0.07 0.00 -1.71 0.00 0.00 66.02 61.66 1qkt s SER 329 CO 0.21 -0.21 0.94 -1.61 1.20 0.00 0.00 173.24 173.77 1qkt s GLU 330 N -0.69 3.11 0.01 5.44 2.02 -1.26 -4.97 118.70 122.36 1qkt s GLU 330 Ca 0.48 -0.90 -0.19 0.00 0.02 0.00 0.00 54.97 54.38 1qkt s GLU 330 Cb -0.30 -4.24 0.04 0.00 0.10 0.00 0.00 34.13 29.72 1qkt s GLU 330 CO 0.37 -1.79 0.42 1.52 0.02 0.00 0.00 175.26 175.79 1qkt s TYR 331 N 3.90 -0.29 -0.46 1.61 -0.85 -1.26 -5.00 117.35 115.00 1qkt s TYR 331 Ca 0.21 0.38 -0.28 0.00 -0.52 0.00 0.00 57.07 56.86 1qkt s TYR 331 Cb -0.17 0.20 0.00 0.00 0.38 0.00 0.00 41.96 42.37 1qkt s TYR 331 CO 0.09 -0.51 1.55 0.34 -1.52 0.00 0.00 175.55 175.51 1qkt s ASP 332 N -1.63 6.05 0.56 -0.18 -1.08 -1.26 -4.86 116.67 114.26 1qkt s ASP 332 Ca -0.09 0.72 0.33 0.00 -0.52 0.00 0.00 52.55 52.99 1qkt s ASP 332 Cb -0.02 -2.54 1.63 0.00 -1.46 0.00 0.00 42.92 40.53 1qkt s ASP 332 CO 0.02 -1.69 2.11 -0.65 0.52 0.00 0.00 175.17 175.48 1qkt h PRO 333 N 11.80 0.00 -0.18 4.34 0.11 -1.98 -2.28 132.00 143.82 1qkt h PRO 333 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1qkt h PRO 333 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1qkt h PRO 333 CO 1.12 0.07 0.00 0.25 -0.21 0.00 0.00 178.00 179.22 1qkt n THR 334 N -3.38 0.23 -4.29 -1.15 -2.24 -1.26 -4.91 114.28 97.27 1qkt n THR 334 Ca -0.01 -0.38 -0.23 0.00 -2.27 0.00 0.00 64.05 61.16 1qkt n THR 334 Cb 0.22 0.42 -0.07 0.00 -2.10 0.00 0.00 70.33 68.80 1qkt n THR 334 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1qkt s ARG 335 N -1.77 2.26 1.09 -0.78 0.52 -0.86 -5.11 118.95 114.30 1qkt s ARG 335 Ca 0.33 -1.46 -0.20 0.00 -0.52 0.00 0.00 55.73 53.88 1qkt s ARG 335 Cb 0.18 -2.13 0.04 0.00 0.52 0.00 0.00 34.95 33.55 1qkt s ARG 335 CO 0.27 0.34 -0.31 -0.35 0.02 0.00 0.00 175.30 175.26 1qkt n PRO 336 N -0.90 -1.19 -0.06 3.54 -0.04 -1.26 -4.97 135.00 130.11 1qkt n PRO 336 Ca -0.06 -0.33 -0.09 0.00 -0.04 0.00 0.00 63.50 62.98 1qkt n PRO 336 Cb 0.59 -1.55 -0.06 0.00 -0.04 0.00 0.00 33.50 32.44 1qkt n PRO 336 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1qkt n PHE 337 N -4.16 0.00 0.20 0.54 7.35 -1.26 -4.42 117.46 115.70 1qkt n PHE 337 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1qkt n PHE 337 Cb 0.65 -0.50 0.00 0.00 0.35 0.00 0.00 39.48 39.97 1qkt n PHE 337 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1qkt n SER 338 N -2.86 0.05 -0.12 -2.13 2.88 -1.26 -0.96 113.62 109.22 1qkt n SER 338 Ca -0.23 -0.25 -0.17 0.00 -1.33 0.00 0.00 58.87 56.89 1qkt n SER 338 Cb 0.75 -0.03 -0.12 0.00 -0.75 0.00 0.00 64.21 64.06 1qkt n SER 338 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1qkt n GLU 339 N -0.11 0.66 -2.30 -1.46 2.13 -1.26 -4.99 120.64 113.31 1qkt n GLU 339 Ca 0.00 0.14 -0.34 0.00 0.66 0.00 0.00 57.16 57.62 1qkt n GLU 339 Cb 0.01 -1.53 -0.01 0.00 0.27 0.00 0.00 31.44 30.19 1qkt n GLU 339 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1qkt s ALA 340 N -2.52 2.74 -0.36 4.31 0.00 -0.14 -4.99 121.76 120.80 1qkt s ALA 340 Ca -0.32 0.72 -0.24 0.00 0.00 0.00 0.00 51.96 52.12 1qkt s ALA 340 Cb 0.09 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.90 1qkt s ALA 340 CO 0.63 -0.66 0.81 0.45 0.00 0.00 0.00 175.76 176.98 1qkt s SER 341 N -1.94 6.58 0.13 0.00 0.15 -1.26 -4.94 113.70 112.42 1qkt s SER 341 Ca 0.70 0.41 -0.26 0.00 0.70 0.00 0.00 55.95 57.50 1qkt s SER 341 Cb -0.21 -2.41 -0.03 0.00 -1.71 0.00 0.00 66.02 61.66 1qkt s SER 341 CO 0.26 -0.74 1.62 -0.03 1.20 0.00 0.00 173.24 175.55 1qkt h MET 342 N 8.45 -0.38 -0.38 5.44 4.05 -1.95 -0.23 114.93 129.92 1qkt h MET 342 Ca -0.24 0.03 0.06 0.00 -0.28 0.00 0.00 59.70 59.26 1qkt h MET 342 Cb 1.09 0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 31.93 1qkt h MET 342 CO 0.92 -0.26 0.09 0.52 0.23 0.00 0.00 176.91 178.41 1qkt h MET 343 N -0.40 0.22 -0.82 0.39 2.86 -1.99 -0.35 114.93 114.84 1qkt h MET 343 Ca 0.08 -0.01 0.13 0.00 -2.06 0.00 0.00 59.70 57.83 1qkt h MET 343 Cb 0.52 -0.05 -0.06 0.00 0.06 0.00 0.00 31.60 32.07 1qkt h MET 343 CO -0.29 0.14 0.54 0.78 1.06 0.00 0.00 176.91 179.14 1qkt h GLY 344 N 0.22 1.04 0.67 8.32 0.00 -1.81 0.29 103.07 111.80 1qkt h GLY 344 Ca 0.18 -0.28 -0.06 0.00 0.00 0.00 0.00 47.33 47.18 1qkt h GLY 344 CO -0.23 0.12 -0.16 1.41 0.00 0.00 0.00 176.54 177.68 1qkt h LEU 345 N 0.65 0.31 -0.69 3.11 4.07 0.01 -1.43 115.31 121.35 1qkt h LEU 345 Ca 0.40 -0.54 -0.07 0.00 0.08 0.00 0.00 57.88 57.75 1qkt h LEU 345 Cb 0.64 -0.09 -0.03 0.00 1.08 0.00 0.00 40.66 42.26 1qkt h LEU 345 CO -0.16 0.79 0.17 -0.07 -1.08 0.00 0.00 178.44 178.09 1qkt h LEU 346 N -0.16 1.05 -0.39 1.67 3.38 -0.16 -1.57 115.31 119.12 1qkt h LEU 346 Ca 0.01 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.66 1qkt h LEU 346 Cb 0.73 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1qkt h LEU 346 CO 0.04 1.01 -0.10 0.74 0.09 0.00 0.00 178.44 180.22 1qkt h THR 347 N 1.04 1.28 -0.79 0.22 2.02 -0.50 -1.72 112.91 114.45 1qkt h THR 347 Ca 0.22 -1.18 -0.05 0.00 0.77 0.00 0.00 66.41 66.16 1qkt h THR 347 Cb 0.37 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.97 1qkt h THR 347 CO 0.00 0.40 0.30 -1.13 0.37 0.00 0.00 175.52 175.46 1qkt h ASN 348 N 0.57 1.10 0.03 4.18 -1.24 -1.08 -1.72 115.58 117.43 1qkt h ASN 348 Ca 0.10 -0.18 -0.00 0.00 0.71 0.00 0.00 56.30 56.93 1qkt h ASN 348 Cb 0.62 -0.29 0.00 0.00 0.73 0.00 0.00 38.32 39.38 1qkt h ASN 348 CO 0.04 0.98 -0.02 0.25 -1.29 0.00 0.00 177.43 177.40 1qkt h LEU 349 N 1.16 -0.04 -0.45 0.34 5.85 -1.17 -2.38 115.31 118.62 1qkt h LEU 349 Ca 0.26 -0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.86 1qkt h LEU 349 Cb 0.23 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 1qkt h LEU 349 CO -0.02 0.17 0.14 0.00 -0.34 0.00 0.00 178.44 178.38 1qkt h ALA 350 N 0.72 0.53 -0.96 1.25 0.00 -1.17 -0.06 119.26 119.56 1qkt h ALA 350 Ca -0.00 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1qkt h ALA 350 Cb 0.22 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1qkt h ALA 350 CO 0.01 -0.26 0.63 -0.44 0.00 0.00 0.00 179.25 179.19 1qkt h ASP 351 N 0.29 1.04 0.06 0.00 3.45 -1.25 -0.33 116.42 119.68 1qkt h ASP 351 Ca 0.22 -0.01 -0.15 0.00 0.43 0.00 0.00 57.03 57.52 1qkt h ASP 351 Cb 0.24 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.77 1qkt h ASP 351 CO -0.24 0.70 -0.54 0.03 -1.57 0.00 0.00 179.24 177.62 1qkt h ARG 352 N 1.20 0.51 -0.16 3.56 3.08 -0.83 -3.06 114.38 118.68 1qkt h ARG 352 Ca 0.39 -0.32 -0.11 0.00 0.07 0.00 0.00 59.98 60.01 1qkt h ARG 352 Cb 0.03 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1qkt h ARG 352 CO -0.13 0.92 -0.36 0.93 -1.07 0.00 0.00 179.97 180.26 1qkt h GLU 353 N 0.40 0.34 -0.29 0.04 5.08 -0.31 -3.10 114.58 116.74 1qkt h GLU 353 Ca 0.01 -0.15 0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1qkt h GLU 353 Cb 1.07 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.27 1qkt h GLU 353 CO 0.10 0.66 0.01 1.25 -1.00 0.00 0.00 179.01 180.03 1qkt h LEU 354 N 0.29 -0.09 -0.80 1.33 7.12 -0.98 0.22 115.31 122.40 1qkt h LEU 354 Ca 0.03 0.06 0.18 0.00 0.13 0.00 0.00 57.88 58.28 1qkt h LEU 354 Cb 0.78 0.11 -0.11 0.00 -0.53 0.00 0.00 40.66 40.90 1qkt h LEU 354 CO 0.06 -0.01 0.27 0.58 -0.13 0.00 0.00 178.44 179.21 1qkt h VAL 355 N 0.10 0.51 0.00 1.05 2.07 -1.57 0.34 116.25 118.75 1qkt h VAL 355 Ca 0.14 -0.12 -0.09 0.00 0.82 0.00 0.00 66.70 67.45 1qkt h VAL 355 Cb 0.18 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 1qkt h VAL 355 CO -0.22 0.06 -0.43 0.45 0.02 0.00 0.00 177.57 177.44 1qkt h HIS 356 N 0.34 0.00 -0.20 1.57 3.86 -1.34 -3.11 115.15 116.27 1qkt h HIS 356 Ca 0.47 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.60 1qkt h HIS 356 Cb 0.83 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.28 1qkt h HIS 356 CO -0.21 0.43 -0.21 1.98 0.86 0.00 0.00 177.93 180.78 1qkt h MET 357 N 0.00 0.35 -0.31 2.45 -1.53 0.29 -2.23 114.93 113.95 1qkt h MET 357 Ca -0.00 -0.11 -0.01 0.00 -3.44 0.00 0.00 59.70 56.13 1qkt h MET 357 Cb 1.12 -0.03 -0.01 0.00 -0.55 0.00 0.00 31.60 32.12 1qkt h MET 357 CO 0.06 0.55 0.15 0.82 0.14 0.00 0.00 176.91 178.63 1qkt h ILE 358 N 0.32 1.16 -0.63 1.77 1.08 -1.27 -0.10 117.51 119.84 1qkt h ILE 358 Ca 0.05 -0.45 -0.00 0.00 -0.39 0.00 0.00 64.86 64.07 1qkt h ILE 358 Cb 0.56 0.88 -0.03 0.00 -3.07 0.00 0.00 36.82 35.16 1qkt h ILE 358 CO 0.04 0.16 0.38 0.78 -0.69 0.00 0.00 178.15 178.82 1qkt h ASN 359 N 0.37 0.76 -0.07 1.72 2.35 -1.56 -2.02 115.58 117.13 1qkt h ASN 359 Ca 0.11 -0.06 0.02 0.00 -0.55 0.00 0.00 56.30 55.81 1qkt h ASN 359 Cb 0.12 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 1qkt h ASN 359 CO -0.01 0.60 -0.03 -0.25 -1.65 0.00 0.00 177.43 176.08 1qkt h TRP 360 N 0.86 -0.07 -0.71 1.19 7.01 -1.05 -2.89 115.95 120.29 1qkt h TRP 360 Ca 0.23 0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.27 1qkt h TRP 360 Cb -0.02 0.04 -0.05 0.00 -2.10 0.00 0.00 29.16 27.03 1qkt h TRP 360 CO -0.02 -0.05 0.43 0.00 -2.79 0.00 0.00 178.44 176.01 1qkt h ALA 361 N 1.04 0.94 0.00 2.65 0.00 -0.72 -1.13 119.26 122.04 1qkt h ALA 361 Ca 0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1qkt h ALA 361 Cb 0.08 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1qkt h ALA 361 CO -0.08 0.17 -0.00 0.87 0.00 0.00 0.00 179.25 180.21 1qkt h LYS 362 N 0.82 0.00 -0.02 0.00 1.57 -1.17 -0.17 116.57 117.59 1qkt h LYS 362 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1qkt h LYS 362 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1qkt h LYS 362 CO -0.14 0.00 -0.13 0.54 -0.57 0.00 0.00 179.45 179.16 1qkt n ARG 363 N -3.14 1.80 -2.63 3.15 1.74 -0.45 -4.50 116.66 112.63 1qkt n ARG 363 Ca -0.02 -1.38 -0.43 0.00 -0.77 0.00 0.00 57.85 55.25 1qkt n ARG 363 Cb 0.11 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 30.06 1qkt n ARG 363 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1qkt s VAL 364 N -2.15 4.64 0.07 1.55 1.01 -0.08 -4.84 120.40 120.61 1qkt s VAL 364 Ca 0.28 1.97 -0.37 0.00 0.00 0.00 0.00 61.98 63.86 1qkt s VAL 364 Cb 0.20 -4.27 -0.18 0.00 0.00 0.00 0.00 36.38 32.13 1qkt s VAL 364 CO 0.39 -0.15 1.16 -2.65 0.00 0.00 0.00 175.10 173.85 1qkt n PRO 365 N 6.19 0.66 0.00 2.72 -0.02 -1.26 -1.42 135.00 141.87 1qkt n PRO 365 Ca 0.12 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1qkt n PRO 365 Cb 0.46 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 1qkt n PRO 365 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qkt n GLY 366 N 2.03 3.21 0.08 -1.23 0.00 -1.26 -4.92 105.19 103.09 1qkt n GLY 366 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 1qkt n GLY 366 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1qkt h PHE 367 N 0.00 0.12 0.00 1.61 3.57 -1.52 -2.98 116.94 117.74 1qkt h PHE 367 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1qkt h PHE 367 Cb 0.00 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.70 1qkt h PHE 367 CO 0.00 0.25 0.00 1.33 -2.23 0.00 0.00 178.31 177.66 1qkt n VAL 368 N -4.93 0.16 0.61 1.41 0.24 -1.26 -1.95 118.33 112.61 1qkt n VAL 368 Ca -0.06 0.04 0.13 0.00 -2.04 0.00 0.00 64.34 62.41 1qkt n VAL 368 Cb 0.11 -0.68 0.38 0.00 -1.47 0.00 0.00 33.84 32.19 1qkt n VAL 368 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1qkt n ASP 369 N -1.15 0.84 -4.89 -1.34 8.00 -1.12 -4.84 116.55 112.05 1qkt n ASP 369 Ca 0.14 0.55 -0.30 0.00 0.71 0.00 0.00 54.79 55.89 1qkt n ASP 369 Cb 0.13 -0.75 0.07 0.00 -0.02 0.00 0.00 41.12 40.55 1qkt n ASP 369 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1qkt s LEU 370 N -4.57 2.68 0.69 0.64 1.43 -0.82 -5.06 118.68 113.67 1qkt s LEU 370 Ca 0.10 0.95 -0.11 0.00 -1.03 0.00 0.00 54.13 54.04 1qkt s LEU 370 Cb 0.12 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.77 1qkt s LEU 370 CO 0.61 -1.66 1.06 0.42 0.23 0.00 0.00 176.35 177.01 1qkt s THR 371 N -3.47 4.03 0.11 5.49 -4.23 -1.26 -4.84 115.64 111.48 1qkt s THR 371 Ca 0.60 0.67 -0.29 0.00 -1.18 0.00 0.00 61.69 61.49 1qkt s THR 371 Cb -0.11 -3.41 -0.09 0.00 1.34 0.00 0.00 72.50 70.23 1qkt s THR 371 CO 0.50 -0.86 1.61 0.25 -0.54 0.00 0.00 174.62 175.59 1qkt h LEU 372 N -0.69 -0.98 -1.56 4.79 6.46 -1.97 0.25 115.31 121.62 1qkt h LEU 372 Ca -0.44 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.43 1qkt h LEU 372 Cb 1.21 0.36 -0.02 0.00 -0.73 0.00 0.00 40.66 41.48 1qkt h LEU 372 CO 0.57 -0.44 0.28 0.45 -0.62 0.00 0.00 178.44 178.68 1qkt h HIS 373 N -0.60 0.55 -0.32 1.25 3.86 -1.99 -0.33 115.15 117.58 1qkt h HIS 373 Ca 0.02 0.01 -0.14 0.00 -1.16 0.00 0.00 60.37 59.10 1qkt h HIS 373 Cb 0.61 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 28.89 1qkt h HIS 373 CO -0.28 0.35 -0.33 -0.44 0.86 0.00 0.00 177.93 178.09 1qkt h ASP 374 N 0.59 0.84 -0.50 2.45 3.32 -1.82 -0.79 116.42 120.51 1qkt h ASP 374 Ca 0.16 -0.48 0.04 0.00 0.02 0.00 0.00 57.03 56.77 1qkt h ASP 374 Cb -0.06 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.21 1qkt h ASP 374 CO -0.03 1.14 0.26 1.56 -1.72 0.00 0.00 179.24 180.46 1qkt h GLN 375 N 0.55 0.50 -0.25 3.56 4.20 -0.15 -1.80 115.11 121.73 1qkt h GLN 375 Ca 0.05 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1qkt h GLN 375 Cb 0.92 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 1qkt h GLN 375 CO 0.08 0.33 0.13 0.28 -0.67 0.00 0.00 178.83 178.99 1qkt h VAL 376 N 0.52 1.12 -0.51 -0.54 2.07 -0.94 -2.50 116.25 115.47 1qkt h VAL 376 Ca 0.22 -0.32 0.04 0.00 0.82 0.00 0.00 66.70 67.46 1qkt h VAL 376 Cb 0.10 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1qkt h VAL 376 CO -0.14 0.12 0.26 -0.74 0.02 0.00 0.00 177.57 177.09 1qkt h HIS 377 N 0.29 0.48 -0.63 1.57 -0.00 -0.80 0.89 115.15 116.95 1qkt h HIS 377 Ca 0.09 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.47 1qkt h HIS 377 Cb 0.07 -0.14 -0.03 0.00 -0.00 0.00 0.00 27.41 27.31 1qkt h HIS 377 CO -0.03 0.24 0.37 -0.07 -0.00 0.00 0.00 177.93 178.43 1qkt h LEU 378 N 0.51 0.77 -0.29 0.26 3.38 -1.23 -1.58 115.31 117.13 1qkt h LEU 378 Ca 0.22 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.97 1qkt h LEU 378 Cb 0.13 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1qkt h LEU 378 CO -0.15 0.62 -0.40 -0.07 0.09 0.00 0.00 178.44 178.52 1qkt h LEU 379 N 0.85 0.86 -2.01 1.67 3.38 -1.08 -1.06 115.31 117.92 1qkt h LEU 379 Ca 0.22 -0.50 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 1qkt h LEU 379 Cb 0.00 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 1qkt h LEU 379 CO -0.04 1.19 -0.02 -0.08 0.09 0.00 0.00 178.44 179.58 1qkt h GLU 380 N 0.54 0.00 0.19 1.13 4.81 -0.61 0.15 114.58 120.79 1qkt h GLU 380 Ca 0.03 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.94 1qkt h GLU 380 Cb 1.00 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.39 1qkt h GLU 380 CO 0.09 0.02 -1.51 1.03 -0.73 0.00 0.00 179.01 177.91 1qkt h SER 381 N 0.00 0.62 0.00 1.04 0.87 -1.10 -3.40 113.55 111.58 1qkt h SER 381 Ca -0.00 -0.75 0.00 0.00 -1.23 0.00 0.00 61.79 59.81 1qkt h SER 381 Cb 0.04 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.80 1qkt h SER 381 CO 0.00 1.60 -0.84 0.00 -0.53 0.00 0.00 176.83 177.07 1qkt n ALA 382 N -2.70 4.22 -0.29 6.23 0.00 -0.42 -4.72 120.51 122.83 1qkt n ALA 382 Ca -0.17 -0.49 0.06 0.00 0.00 0.00 0.00 53.44 52.85 1qkt n ALA 382 Cb 1.07 -0.63 0.17 0.00 0.00 0.00 0.00 19.45 20.06 1qkt n ALA 382 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 1qkt h TRP 383 N 0.00 -0.19 -0.44 0.00 5.08 -0.92 -0.49 115.95 119.00 1qkt h TRP 383 Ca 0.00 0.07 -0.11 0.00 1.08 0.00 0.00 58.89 59.93 1qkt h TRP 383 Cb 0.42 0.22 -0.02 0.00 -3.00 0.00 0.00 29.16 26.78 1qkt h TRP 383 CO 0.00 -0.33 -0.17 1.25 -1.28 0.00 0.00 178.44 177.92 1qkt h LEU 384 N 0.05 0.84 -1.02 0.11 5.85 -1.85 -1.75 115.31 117.54 1qkt h LEU 384 Ca 0.45 -0.28 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 1qkt h LEU 384 Cb 0.80 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1qkt h LEU 384 CO -0.79 1.00 -0.07 -0.33 -0.34 0.00 0.00 178.44 177.90 1qkt h GLU 385 N 0.74 0.62 -0.40 1.25 5.08 -1.46 -0.85 114.58 119.56 1qkt h GLU 385 Ca 0.11 -0.17 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 1qkt h GLU 385 Cb 0.68 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1qkt h GLU 385 CO 0.05 0.70 -0.05 0.82 -1.00 0.00 0.00 179.01 179.53 1qkt h ILE 386 N 0.58 1.27 -0.64 3.13 2.04 -0.91 -0.75 117.51 122.23 1qkt h ILE 386 Ca 0.11 -1.10 -0.06 0.00 1.00 0.00 0.00 64.86 64.80 1qkt h ILE 386 Cb 0.48 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 1qkt h ILE 386 CO 0.03 0.37 0.14 -0.07 0.00 0.00 0.00 178.15 178.61 1qkt h LEU 387 N 0.55 0.95 -0.25 1.44 3.38 -0.97 -2.37 115.31 118.05 1qkt h LEU 387 Ca 0.11 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 1qkt h LEU 387 Cb 0.55 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1qkt h LEU 387 CO 0.03 0.93 -0.11 0.24 0.09 0.00 0.00 178.44 179.62 1qkt h MET 388 N 0.96 0.51 -0.77 1.13 2.86 -0.92 -1.13 114.93 117.57 1qkt h MET 388 Ca 0.20 -0.22 -0.05 0.00 -2.06 0.00 0.00 59.70 57.57 1qkt h MET 388 Cb 0.36 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 1qkt h MET 388 CO 0.00 0.76 0.28 0.97 1.06 0.00 0.00 176.91 179.99 1qkt h ILE 389 N 0.24 1.26 0.11 -1.22 2.10 -1.08 0.98 117.51 119.90 1qkt h ILE 389 Ca 0.06 -0.85 -0.00 0.00 1.08 0.00 0.00 64.86 65.14 1qkt h ILE 389 Cb 0.60 0.37 -0.00 0.00 -1.09 0.00 0.00 36.82 36.70 1qkt h ILE 389 CO 0.03 0.34 -0.07 1.23 -1.08 0.00 0.00 178.15 178.61 1qkt h GLY 390 N 1.14 -0.17 0.30 8.18 0.00 -1.36 0.30 103.07 111.45 1qkt h GLY 390 Ca 0.25 0.07 0.09 0.00 0.00 0.00 0.00 47.33 47.74 1qkt h GLY 390 CO -0.02 -0.07 0.06 -2.00 0.00 0.00 0.00 176.54 174.51 1qkt h LEU 391 N -0.17 -0.08 -0.97 3.11 5.85 -0.68 -0.62 115.31 121.75 1qkt h LEU 391 Ca -0.01 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 1qkt h LEU 391 Cb 0.14 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1qkt h LEU 391 CO 0.01 -0.01 0.30 0.58 -0.34 0.00 0.00 178.44 178.98 1qkt h VAL 392 N 0.18 1.24 -0.40 1.05 2.07 -0.49 -1.76 116.25 118.13 1qkt h VAL 392 Ca 0.25 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 1qkt h VAL 392 Cb 0.35 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1qkt h VAL 392 CO -0.35 0.30 0.21 -0.25 0.02 0.00 0.00 177.57 177.49 1qkt h TRP 393 N 1.02 0.57 -0.66 1.57 2.91 0.16 -2.14 115.95 119.38 1qkt h TRP 393 Ca 0.24 -0.02 -0.06 0.00 1.13 0.00 0.00 58.89 60.18 1qkt h TRP 393 Cb 0.17 -0.18 -0.03 0.00 -0.51 0.00 0.00 29.16 28.62 1qkt h TRP 393 CO 0.02 0.46 0.17 0.00 -1.03 0.00 0.00 178.44 178.06 1qkt h ARG 394 N 0.52 1.04 0.00 2.65 3.08 -0.87 -2.78 114.38 118.01 1qkt h ARG 394 Ca 0.14 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1qkt h ARG 394 Cb 0.09 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1qkt h ARG 394 CO -0.02 0.91 0.00 0.43 -1.07 0.00 0.00 179.97 180.22 1qkt n SER 395 N -4.25 0.00 -0.31 7.04 7.64 -0.69 -4.18 113.62 118.87 1qkt n SER 395 Ca 0.05 0.13 0.25 0.00 1.01 0.00 0.00 58.87 60.31 1qkt n SER 395 Cb 0.24 -0.37 0.56 0.00 -1.01 0.00 0.00 64.21 63.64 1qkt n SER 395 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 1qkt h MET 396 N 0.00 0.29 -0.92 1.43 4.05 -1.10 -0.01 114.93 118.68 1qkt h MET 396 Ca 0.00 -0.02 -0.51 0.00 -0.28 0.00 0.00 59.70 58.89 1qkt h MET 396 Cb 0.33 -0.07 -0.28 0.00 -0.80 0.00 0.00 31.60 30.78 1qkt h MET 396 CO 0.00 0.19 0.58 0.39 0.23 0.00 0.00 176.91 178.30 1qkt n GLU 397 N -4.53 2.32 -3.11 0.39 1.02 -1.26 -4.60 120.64 110.88 1qkt n GLU 397 Ca 0.25 -3.12 -0.20 0.00 -0.02 0.00 0.00 57.16 54.06 1qkt n GLU 397 Cb 0.94 -2.16 -0.04 0.00 -0.02 0.00 0.00 31.44 30.16 1qkt n GLU 397 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1qkt n HIS 398 N -1.09 -0.86 -1.53 -0.32 8.25 -0.02 -5.12 115.22 114.53 1qkt n HIS 398 Ca 0.57 -3.26 -0.58 0.00 -0.26 0.00 0.00 57.72 54.19 1qkt n HIS 398 Cb 1.37 -0.00 -0.08 0.00 1.12 0.00 0.00 29.99 32.41 1qkt n HIS 398 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1qkt n PRO 399 N 1.31 0.27 -0.96 -0.41 -0.02 -1.26 -0.86 135.00 133.07 1qkt n PRO 399 Ca 0.19 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1qkt n PRO 399 Cb 0.56 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 1qkt n PRO 399 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qkt n GLY 400 N 1.83 0.40 3.17 -1.23 0.00 -1.26 -5.01 105.19 103.10 1qkt n GLY 400 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 1qkt n GLY 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qkt s LYS 401 N -0.62 0.84 -0.25 1.61 3.01 -0.04 -4.24 119.74 120.06 1qkt s LYS 401 Ca 0.00 -1.29 0.02 0.00 -1.01 0.00 0.00 55.97 53.69 1qkt s LYS 401 Cb 0.00 -0.30 0.05 0.00 -1.01 0.00 0.00 37.83 36.57 1qkt s LYS 401 CO 0.00 0.01 -0.12 -0.51 0.51 0.00 0.00 175.35 175.24 1qkt s LEU 402 N -2.90 3.26 -1.20 3.17 1.43 0.59 -4.83 118.68 118.19 1qkt s LEU 402 Ca 0.10 -1.25 -0.16 0.00 -1.03 0.00 0.00 54.13 51.79 1qkt s LEU 402 Cb 0.03 -1.55 0.12 0.00 0.03 0.00 0.00 46.19 44.82 1qkt s LEU 402 CO -0.03 -0.16 1.52 -0.22 0.23 0.00 0.00 176.35 177.69 1qkt s LEU 403 N 1.15 4.50 0.42 1.79 0.20 -1.26 -2.11 118.68 123.35 1qkt s LEU 403 Ca -0.06 -2.61 0.14 0.00 0.69 0.00 0.00 54.13 52.29 1qkt s LEU 403 Cb -0.19 -2.48 0.89 0.00 -0.43 0.00 0.00 46.19 43.98 1qkt s LEU 403 CO -0.06 -0.98 1.92 -0.26 -0.29 0.00 0.00 176.35 176.68 1qkt h PHE 404 N 7.63 0.00 -2.45 5.38 -1.00 -1.81 -3.43 116.94 121.27 1qkt h PHE 404 Ca 0.34 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 61.11 1qkt h PHE 404 Cb 0.89 0.00 -0.16 0.00 3.61 0.00 0.00 35.95 40.30 1qkt h PHE 404 CO 1.24 0.27 0.25 0.00 -1.61 0.00 0.00 178.31 178.46 1qkt s ALA 405 N -4.41 -1.71 0.37 2.45 0.00 -1.18 -4.94 121.76 112.34 1qkt s ALA 405 Ca -0.03 0.93 0.11 0.00 0.00 0.00 0.00 51.96 52.97 1qkt s ALA 405 Cb 0.15 0.40 0.88 0.00 0.00 0.00 0.00 23.12 24.55 1qkt s ALA 405 CO 0.70 -0.58 1.85 -1.35 0.00 0.00 0.00 175.76 176.39 1qkt h PRO 406 N 2.42 0.60 -0.92 0.00 0.11 -1.87 0.11 132.00 132.47 1qkt h PRO 406 Ca -0.29 -0.04 -0.39 0.00 0.11 0.00 0.00 66.00 65.39 1qkt h PRO 406 Cb 1.23 -0.14 -0.23 0.00 0.11 0.00 0.00 31.00 31.97 1qkt h PRO 406 CO 0.37 0.40 0.50 0.27 -0.21 0.00 0.00 178.00 179.33 1qkt n ASN 407 N -4.58 4.07 -2.95 -2.05 6.94 -1.26 -4.64 115.26 110.79 1qkt n ASN 407 Ca 0.19 -3.39 -0.08 0.00 -0.02 0.00 0.00 54.58 51.28 1qkt n ASN 407 Cb 0.55 -0.79 -0.02 0.00 -2.36 0.00 0.00 39.78 37.17 1qkt n ASN 407 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1qkt s LEU 408 N -3.00 -0.91 -0.21 -4.53 2.96 0.40 -4.83 118.68 108.55 1qkt s LEU 408 Ca 0.53 -1.85 -0.07 0.00 -0.22 0.00 0.00 54.13 52.52 1qkt s LEU 408 Cb 0.44 1.45 -0.04 0.00 0.50 0.00 0.00 46.19 48.54 1qkt s LEU 408 CO 0.11 -0.09 0.06 -0.76 -1.32 0.00 0.00 176.35 174.35 1qkt s LEU 409 N 0.87 3.62 -0.03 -0.68 1.02 -1.26 -2.36 118.68 119.86 1qkt s LEU 409 Ca 0.28 -0.05 0.05 0.00 0.02 0.00 0.00 54.13 54.43 1qkt s LEU 409 Cb -0.01 -1.93 -0.01 0.00 0.02 0.00 0.00 46.19 44.26 1qkt s LEU 409 CO -0.08 0.09 -0.19 -0.76 0.02 0.00 0.00 176.35 175.43 1qkt s LEU 410 N 0.88 1.99 0.55 1.79 1.02 -0.90 -4.92 118.68 119.09 1qkt s LEU 410 Ca 0.03 -0.36 0.06 0.00 0.02 0.00 0.00 54.13 53.88 1qkt s LEU 410 Cb -0.14 -1.02 0.07 0.00 0.02 0.00 0.00 46.19 45.12 1qkt s LEU 410 CO 0.02 0.20 0.76 1.51 0.02 0.00 0.00 176.35 178.87 1qkt s ASP 411 N -0.22 5.14 0.51 2.29 1.47 -1.26 -0.30 116.67 124.30 1qkt s ASP 411 Ca 0.02 -0.53 0.16 0.00 1.18 0.00 0.00 52.55 53.37 1qkt s ASP 411 Cb -0.10 -0.18 1.22 0.00 -0.34 0.00 0.00 42.92 43.52 1qkt s ASP 411 CO 0.01 -1.25 2.12 0.08 0.68 0.00 0.00 175.17 176.81 1qkt h ARG 412 N 0.16 0.00 -0.73 2.11 0.11 -1.96 -2.28 114.38 111.79 1qkt h ARG 412 Ca -0.35 -0.00 0.03 0.00 0.10 0.00 0.00 59.98 59.76 1qkt h ARG 412 Cb 1.28 -0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.32 1qkt h ARG 412 CO 0.43 0.03 0.46 -0.91 0.10 0.00 0.00 179.97 180.09 1qkt h ASN 413 N 0.00 0.76 0.56 0.08 -0.26 -1.95 -1.50 115.58 113.27 1qkt h ASN 413 Ca 0.00 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1qkt h ASN 413 Cb 0.06 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 37.15 1qkt h ASN 413 CO 0.00 0.53 0.00 1.56 -1.06 0.00 0.00 177.43 178.46 1qkt h GLN 414 N 0.91 0.00 -0.00 0.81 4.20 -1.80 -1.70 115.11 117.53 1qkt h GLN 414 Ca 0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.00 1qkt h GLN 414 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1qkt h GLN 414 CO -0.11 0.00 -0.30 0.41 -0.67 0.00 0.00 178.83 178.16 1qkt n GLY 415 N -0.37 -1.29 0.00 3.46 0.00 -0.57 -3.89 105.19 102.52 1qkt n GLY 415 Ca 0.01 -0.26 0.13 0.00 0.00 0.00 0.00 46.02 45.90 1qkt n GLY 415 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qkt n LYS 416 N -1.44 0.30 0.00 1.61 5.02 -0.64 -3.21 118.16 119.80 1qkt n LYS 416 Ca 0.07 0.03 0.09 0.00 -2.02 0.00 0.00 58.31 56.48 1qkt n LYS 416 Cb 0.33 -1.50 0.55 0.00 -0.02 0.00 0.00 35.03 34.40 1qkt n LYS 416 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1qkt n SER 417 N -1.34 0.00 -3.74 4.39 3.41 -1.25 -4.69 113.62 110.41 1qkt n SER 417 Ca 0.12 -1.37 -0.14 0.00 -0.26 0.00 0.00 58.87 57.21 1qkt n SER 417 Cb 0.24 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.04 1qkt n SER 417 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1qkt s VAL 418 N -2.00 -0.08 0.25 -3.33 1.01 -1.20 -5.09 120.40 109.96 1qkt s VAL 418 Ca 0.28 0.22 -0.31 0.00 0.00 0.00 0.00 61.98 62.17 1qkt s VAL 418 Cb 0.13 -0.22 -0.13 0.00 0.00 0.00 0.00 36.38 36.15 1qkt s VAL 418 CO 0.22 0.09 1.43 -0.62 0.00 0.00 0.00 175.10 176.21 1qkt n GLU 419 N 4.39 2.13 0.00 2.72 -0.58 -1.26 -2.12 120.64 125.91 1qkt n GLU 419 Ca -0.23 0.76 0.00 0.00 -0.42 0.00 0.00 57.16 57.27 1qkt n GLU 419 Cb 0.51 -2.43 0.00 0.00 -0.57 0.00 0.00 31.44 28.95 1qkt n GLU 419 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qkt n GLY 420 N 2.11 2.57 0.17 0.62 0.00 -1.26 -4.84 105.19 104.56 1qkt n GLY 420 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 1qkt n GLY 420 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1qkt h MET 421 N 1.17 0.41 -1.00 1.61 -1.53 -1.65 -3.29 114.93 110.66 1qkt h MET 421 Ca 0.00 -0.36 0.03 0.00 -3.44 0.00 0.00 59.70 55.93 1qkt h MET 421 Cb 0.00 0.08 -0.05 0.00 -0.55 0.00 0.00 31.60 31.08 1qkt h MET 421 CO 0.00 1.01 0.66 -0.24 0.14 0.00 0.00 176.91 178.47 1qkt h VAL 422 N 0.27 1.21 -0.52 -5.77 3.04 -1.70 -0.90 116.25 111.88 1qkt h VAL 422 Ca -0.04 -0.45 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 1qkt h VAL 422 Cb 1.37 -0.21 -0.03 0.00 -2.01 0.00 0.00 31.29 30.41 1qkt h VAL 422 CO 0.13 0.24 0.33 -0.33 -1.01 0.00 0.00 177.57 176.93 1qkt h GLU 423 N 1.30 0.70 -0.58 4.17 3.07 -1.93 -2.10 114.58 119.21 1qkt h GLU 423 Ca 0.38 -0.05 -0.09 0.00 -0.50 0.00 0.00 59.36 59.10 1qkt h GLU 423 Cb -0.06 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 27.67 1qkt h GLU 423 CO -0.11 0.49 0.00 0.82 -1.40 0.00 0.00 179.01 178.81 1qkt h ILE 424 N 0.71 1.27 -0.90 3.13 2.04 -1.48 -2.33 117.51 119.95 1qkt h ILE 424 Ca 0.19 -1.14 0.03 0.00 1.00 0.00 0.00 64.86 64.95 1qkt h ILE 424 Cb -0.05 0.83 -0.05 0.00 -0.74 0.00 0.00 36.82 36.82 1qkt h ILE 424 CO -0.04 0.41 0.58 -0.26 0.00 0.00 0.00 178.15 178.85 1qkt h PHE 425 N 0.92 1.09 -0.13 1.37 -1.00 -0.96 -1.52 116.94 116.73 1qkt h PHE 425 Ca 0.17 0.03 -0.09 0.00 2.81 0.00 0.00 57.97 60.88 1qkt h PHE 425 Cb 0.55 -0.36 -0.01 0.00 3.61 0.00 0.00 35.95 39.73 1qkt h PHE 425 CO 0.04 0.63 -0.33 -0.44 -1.61 0.00 0.00 178.31 176.60 1qkt h ASP 426 N 1.14 0.25 -0.08 2.17 3.32 -1.05 -0.47 116.42 121.69 1qkt h ASP 426 Ca 0.36 -0.09 -0.19 0.00 0.02 0.00 0.00 57.03 57.13 1qkt h ASP 426 Cb -0.00 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1qkt h ASP 426 CO -0.12 0.58 -0.64 0.24 -1.72 0.00 0.00 179.24 177.58 1qkt h MET 427 N 0.22 0.70 -0.51 3.56 2.86 -0.85 -1.69 114.93 119.22 1qkt h MET 427 Ca 0.03 -0.50 -0.09 0.00 -2.06 0.00 0.00 59.70 57.08 1qkt h MET 427 Cb 0.70 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.42 1qkt h MET 427 CO 0.05 1.12 -0.03 -0.07 1.06 0.00 0.00 176.91 179.04 1qkt h LEU 428 N 0.51 0.90 -0.55 1.22 3.38 -1.04 -1.44 115.31 118.30 1qkt h LEU 428 Ca -0.01 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 1qkt h LEU 428 Cb 1.23 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 1qkt h LEU 428 CO 0.13 1.00 0.20 -0.07 0.09 0.00 0.00 178.44 179.79 1qkt h LEU 429 N 0.78 0.78 -1.44 1.67 3.38 -1.05 -1.13 115.31 118.29 1qkt h LEU 429 Ca 0.14 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1qkt h LEU 429 Cb 0.56 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1qkt h LEU 429 CO 0.03 0.76 -0.13 0.00 0.09 0.00 0.00 178.44 179.19 1qkt h ALA 430 N 1.05 1.54 -0.23 1.53 0.00 -1.08 -1.06 119.26 121.02 1qkt h ALA 430 Ca 0.18 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 1qkt h ALA 430 Cb 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1qkt h ALA 430 CO -0.01 0.33 -0.48 1.15 0.00 0.00 0.00 179.25 180.24 1qkt h THR 431 N 0.19 1.30 -0.51 0.00 2.02 -0.73 -2.00 112.91 113.18 1qkt h THR 431 Ca 0.04 -1.69 0.03 0.00 0.77 0.00 0.00 66.41 65.56 1qkt h THR 431 Cb 0.36 1.79 -0.04 0.00 -1.74 0.00 0.00 68.15 68.52 1qkt h THR 431 CO 0.02 0.54 0.30 -1.28 0.37 0.00 0.00 175.52 175.47 1qkt h SER 432 N 0.45 0.48 -0.68 4.18 0.87 -0.55 -1.60 113.55 116.71 1qkt h SER 432 Ca 0.00 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.55 1qkt h SER 432 Cb 1.09 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.92 1qkt h SER 432 CO 0.11 0.34 0.35 0.28 -0.53 0.00 0.00 176.83 177.37 1qkt h SER 433 N 0.60 0.86 -0.67 6.23 0.02 -1.16 -1.53 113.55 117.90 1qkt h SER 433 Ca 0.21 -0.11 0.06 0.00 -0.84 0.00 0.00 61.79 61.11 1qkt h SER 433 Cb 0.04 -0.22 -0.06 0.00 0.14 0.00 0.00 62.40 62.30 1qkt h SER 433 CO -0.10 0.73 0.37 -0.09 -1.14 0.00 0.00 176.83 176.60 1qkt h ARG 434 N 0.93 0.66 -0.40 3.45 9.65 -0.69 0.12 114.38 128.11 1qkt h ARG 434 Ca 0.24 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 59.04 1qkt h ARG 434 Cb 0.07 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 28.49 1qkt h ARG 434 CO -0.03 0.44 0.12 0.74 2.80 0.00 0.00 179.97 184.03 1qkt h PHE 435 N 0.68 0.65 0.06 2.20 0.04 -0.93 -0.96 116.94 118.68 1qkt h PHE 435 Ca 0.30 -0.07 0.03 0.00 2.80 0.00 0.00 57.97 61.03 1qkt h PHE 435 Cb 0.20 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 38.12 1qkt h PHE 435 CO -0.08 0.61 -0.33 0.00 -0.60 0.00 0.00 178.31 177.91 1qkt h ARG 436 N 0.50 -0.50 -0.87 1.51 3.08 -0.53 0.26 114.38 117.84 1qkt h ARG 436 Ca 0.13 0.03 0.18 0.00 0.07 0.00 0.00 59.98 60.39 1qkt h ARG 436 Cb 0.27 0.11 -0.11 0.00 0.08 0.00 0.00 29.97 30.33 1qkt h ARG 436 CO -0.00 -0.33 0.42 1.98 -1.07 0.00 0.00 179.97 180.96 1qkt h MET 437 N -0.52 0.51 -0.00 0.04 4.05 -0.58 0.31 114.93 118.75 1qkt h MET 437 Ca 0.04 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 1qkt h MET 437 Cb 0.57 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.26 1qkt h MET 437 CO -0.23 0.34 -0.02 -1.33 0.23 0.00 0.00 176.91 175.90 1qkt n MET 438 N -4.95 0.02 -3.50 0.39 2.81 -0.38 -4.92 117.12 106.60 1qkt n MET 438 Ca 0.19 -0.00 -0.18 0.00 -1.81 0.00 0.00 57.70 55.90 1qkt n MET 438 Cb 0.53 -1.50 0.08 0.00 -0.71 0.00 0.00 33.22 31.61 1qkt n MET 438 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1qkt n ASN 439 N -1.49 -2.04 -4.68 7.83 4.05 0.11 -4.87 115.26 114.17 1qkt n ASN 439 Ca 0.07 -0.66 -0.44 0.00 0.45 0.00 0.00 54.58 54.00 1qkt n ASN 439 Cb 0.33 -4.89 -0.02 0.00 1.23 0.00 0.00 39.78 36.43 1qkt n ASN 439 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 1qkt n LEU 440 N -4.20 3.34 -4.93 1.20 7.94 -0.71 -4.99 117.00 114.66 1qkt n LEU 440 Ca -0.28 1.15 -0.29 0.00 -1.11 0.00 0.00 56.01 55.48 1qkt n LEU 440 Cb 0.67 -1.46 -0.04 0.00 0.53 0.00 0.00 43.42 43.12 1qkt n LEU 440 CO 0.63 -0.39 -0.09 -1.10 -1.11 0.00 0.00 177.39 175.34 1qkt s GLN 441 N -0.53 3.47 0.49 1.96 -1.52 -1.26 -4.98 119.66 117.29 1qkt s GLN 441 Ca 0.67 -0.44 0.14 0.00 -1.95 0.00 0.00 55.36 53.78 1qkt s GLN 441 Cb -0.62 -2.96 1.17 0.00 -0.22 0.00 0.00 33.01 30.37 1qkt s GLN 441 CO 0.50 0.53 2.12 0.78 -0.25 0.00 0.00 175.29 178.97 1qkt h GLY 442 N 2.58 0.16 1.50 3.09 0.00 -1.99 0.98 103.07 109.39 1qkt h GLY 442 Ca -0.47 -0.06 -0.13 0.00 0.00 0.00 0.00 47.33 46.68 1qkt h GLY 442 CO 0.72 0.06 -0.38 0.83 0.00 0.00 0.00 176.54 177.76 1qkt h GLU 443 N 0.15 0.55 -0.09 4.80 3.07 -1.99 -2.60 114.58 118.47 1qkt h GLU 443 Ca 0.05 -0.27 -0.09 0.00 -0.50 0.00 0.00 59.36 58.55 1qkt h GLU 443 Cb 0.03 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 1qkt h GLU 443 CO -0.01 0.85 -0.30 0.93 -1.40 0.00 0.00 179.01 179.08 1qkt h GLU 444 N 0.46 0.36 -0.53 2.33 5.08 -1.61 -3.12 114.58 117.55 1qkt h GLU 444 Ca 0.04 -0.27 0.11 0.00 -1.00 0.00 0.00 59.36 58.24 1qkt h GLU 444 Cb 0.87 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 30.07 1qkt h GLU 444 CO 0.07 0.89 -0.08 0.35 -1.00 0.00 0.00 179.01 179.24 1qkt h PHE 445 N -0.11 -0.19 -0.63 4.33 3.57 -0.79 -0.72 116.94 122.41 1qkt h PHE 445 Ca -0.01 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 1qkt h PHE 445 Cb 0.92 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.80 1qkt h PHE 445 CO 0.12 -0.19 0.15 -0.39 -2.23 0.00 0.00 178.31 175.77 1qkt h VAL 446 N 0.04 1.25 -0.26 1.41 -1.51 -1.53 -0.91 116.25 114.74 1qkt h VAL 446 Ca 0.26 -0.89 -0.01 0.00 -1.23 0.00 0.00 66.70 64.82 1qkt h VAL 446 Cb 0.40 0.60 -0.01 0.00 -2.13 0.00 0.00 31.29 30.15 1qkt h VAL 446 CO -0.51 0.34 0.11 0.00 -1.23 0.00 0.00 177.57 176.29 1qkt h LEU 448 N 0.27 0.14 -1.60 0.00 3.38 -0.92 0.71 115.31 117.29 1qkt h LEU 448 Ca 0.09 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1qkt h LEU 448 Cb 0.15 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1qkt h LEU 448 CO -0.01 0.12 0.24 0.50 0.09 0.00 0.00 178.44 179.38 1qkt h LYS 449 N 0.15 0.51 -0.06 1.13 3.64 -1.06 -0.72 116.57 120.16 1qkt h LYS 449 Ca 0.04 -0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 59.20 1qkt h LYS 449 Cb -0.00 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1qkt h LYS 449 CO -0.01 0.35 -0.77 0.77 -2.27 0.00 0.00 179.45 177.52 1qkt h SER 450 N 0.52 0.46 -0.67 4.20 0.02 -0.82 -2.85 113.55 114.40 1qkt h SER 450 Ca 0.14 -0.32 -0.02 0.00 -0.84 0.00 0.00 61.79 60.75 1qkt h SER 450 Cb -0.04 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 1qkt h SER 450 CO -0.03 1.06 0.33 0.40 -1.14 0.00 0.00 176.83 177.46 1qkt h ILE 451 N 0.25 1.22 -0.61 3.27 2.04 0.51 -2.63 117.51 121.56 1qkt h ILE 451 Ca -0.04 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 1qkt h ILE 451 Cb 1.35 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 1qkt h ILE 451 CO 0.13 0.26 0.35 0.40 0.00 0.00 0.00 178.15 179.28 1qkt h ILE 452 N 0.93 1.19 -0.65 -0.67 2.04 -1.17 0.29 117.51 119.47 1qkt h ILE 452 Ca 0.23 -0.46 0.07 0.00 1.00 0.00 0.00 64.86 65.70 1qkt h ILE 452 Cb 0.10 0.38 -0.06 0.00 -0.74 0.00 0.00 36.82 36.50 1qkt h ILE 452 CO -0.03 0.20 0.34 0.25 0.00 0.00 0.00 178.15 178.91 1qkt h LEU 453 N 0.83 0.48 0.11 1.44 5.85 -1.25 -1.87 115.31 120.90 1qkt h LEU 453 Ca 0.22 0.04 -0.29 0.00 0.84 0.00 0.00 57.88 58.68 1qkt h LEU 453 Cb 0.02 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1qkt h LEU 453 CO -0.04 0.31 -1.45 -0.07 -0.34 0.00 0.00 178.44 176.85 1qkt h LEU 454 N 0.62 0.36 0.08 2.25 3.38 -1.19 -3.40 115.31 117.41 1qkt h LEU 454 Ca 0.30 -0.47 -0.31 0.00 0.09 0.00 0.00 57.88 57.50 1qkt h LEU 454 Cb 0.24 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1qkt h LEU 454 CO -0.21 1.39 -1.64 -1.13 0.09 0.00 0.00 178.44 176.94 1qkt h ASN 455 N 0.06 0.28 -0.94 -0.43 -1.24 -0.36 -3.36 115.58 109.59 1qkt h ASN 455 Ca -0.21 -0.46 0.15 0.00 0.71 0.00 0.00 56.30 56.50 1qkt h ASN 455 Cb 1.99 -0.09 -0.09 0.00 0.73 0.00 0.00 38.32 40.86 1qkt h ASN 455 CO 0.17 1.39 0.55 0.28 -1.29 0.00 0.00 177.43 178.53 1qkt h SER 456 N 0.05 0.73 -0.32 1.15 0.02 -1.54 -2.95 113.55 110.69 1qkt h SER 456 Ca -0.28 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1qkt h SER 456 Cb 2.01 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 64.49 1qkt h SER 456 CO 0.13 0.32 0.00 0.61 -1.14 0.00 0.00 176.83 176.75 1qkt n GLY 457 N -1.33 3.00 0.20 -3.77 0.00 -1.26 -4.59 105.19 97.44 1qkt n GLY 457 Ca 0.20 -0.48 0.08 0.00 0.00 0.00 0.00 46.02 45.81 1qkt n GLY 457 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1qkt h VAL 458 N 1.93 0.63 -0.10 1.61 3.04 -1.67 -2.87 116.25 118.82 1qkt h VAL 458 Ca 0.00 -1.38 0.00 0.00 -1.01 0.00 0.00 66.70 64.31 1qkt h VAL 458 Cb 0.85 1.92 0.00 0.00 -2.01 0.00 0.00 31.29 32.05 1qkt h VAL 458 CO 0.04 0.28 0.00 -1.22 -1.01 0.00 0.00 177.57 175.66 1qkt n TYR 459 N -3.37 0.12 -1.10 3.17 4.02 -1.26 -4.01 117.16 114.73 1qkt n TYR 459 Ca 0.01 -0.06 0.09 0.00 -0.01 0.00 0.00 57.90 57.93 1qkt n TYR 459 Cb 0.50 0.00 0.17 0.00 -0.02 0.00 0.00 39.34 39.99 1qkt n TYR 459 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1qkt n THR 460 N 0.14 2.02 -2.39 -0.72 -2.24 -1.08 -4.93 114.28 105.08 1qkt n THR 460 Ca 0.17 -2.27 -0.42 0.00 -2.27 0.00 0.00 64.05 59.27 1qkt n THR 460 Cb 0.31 -0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.27 1qkt n THR 460 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1qkt s PHE 461 N -2.91 2.29 0.00 4.78 0.08 -1.25 -4.83 117.98 116.13 1qkt s PHE 461 Ca 0.35 0.48 -0.06 0.00 0.12 0.00 0.00 56.93 57.82 1qkt s PHE 461 Cb 0.30 -4.39 -0.25 0.00 -0.57 0.00 0.00 43.02 38.11 1qkt s PHE 461 CO 0.03 -1.97 3.48 1.28 -0.10 0.00 0.00 175.22 177.94 1qkt n LEU 462 N 9.55 5.05 -3.84 -0.37 4.77 -1.26 -4.78 117.00 126.12 1qkt n LEU 462 Ca 0.12 -3.07 -0.12 0.00 -0.03 0.00 0.00 56.01 52.92 1qkt n LEU 462 Cb 0.49 -1.36 -0.09 0.00 -2.33 0.00 0.00 43.42 40.13 1qkt n LEU 462 CO 0.71 1.61 -0.10 -0.55 -1.33 0.00 0.00 177.39 177.72 1qkt s SER 463 N 2.04 -0.03 -0.02 -1.43 0.15 -1.26 -5.05 113.70 108.09 1qkt s SER 463 Ca 0.63 -0.15 0.03 0.00 0.70 0.00 0.00 55.95 57.17 1qkt s SER 463 Cb 0.30 0.25 0.05 0.00 -1.71 0.00 0.00 66.02 64.91 1qkt s SER 463 CO 0.00 -0.42 0.87 -1.54 1.20 0.00 0.00 173.24 173.35 1qkt n SER 464 N 1.28 0.70 -4.52 5.45 3.41 -1.26 -4.88 113.62 113.80 1qkt n SER 464 Ca -0.22 -1.87 -0.31 0.00 -0.26 0.00 0.00 58.87 56.21 1qkt n SER 464 Cb 0.56 -0.15 0.18 0.00 -0.26 0.00 0.00 64.21 64.54 1qkt n SER 464 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1qkt n THR 465 N -0.32 0.00 -0.30 6.66 -2.24 -1.26 -4.72 114.28 112.10 1qkt n THR 465 Ca 0.03 -0.18 -0.04 0.00 -2.27 0.00 0.00 64.05 61.59 1qkt n THR 465 Cb 0.56 -0.87 0.07 0.00 -2.10 0.00 0.00 70.33 68.00 1qkt n THR 465 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1qkt h LEU 466 N -2.02 0.95 -0.79 3.22 5.85 -2.00 -1.82 115.31 118.71 1qkt h LEU 466 Ca -0.48 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.24 1qkt h LEU 466 Cb 1.30 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 42.03 1qkt h LEU 466 CO 0.41 0.71 0.48 0.50 -0.34 0.00 0.00 178.44 180.20 1qkt h LYS 467 N 1.10 0.88 -0.20 1.25 3.64 -1.99 -1.60 116.57 119.65 1qkt h LYS 467 Ca 0.29 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.57 1qkt h LYS 467 Cb -0.09 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.52 1qkt h LYS 467 CO -0.06 0.58 -0.10 0.77 -2.27 0.00 0.00 179.45 178.37 1qkt h SER 468 N 0.90 0.29 -0.19 4.20 0.02 -1.68 -0.05 113.55 117.05 1qkt h SER 468 Ca 0.33 -0.06 -0.17 0.00 -0.84 0.00 0.00 61.79 61.05 1qkt h SER 468 Cb 0.12 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.58 1qkt h SER 468 CO -0.15 0.43 -0.52 -0.07 -1.14 0.00 0.00 176.83 175.38 1qkt h LEU 469 N 0.30 0.86 -1.17 5.07 3.38 -0.70 -1.58 115.31 121.47 1qkt h LEU 469 Ca 0.06 -0.45 -0.09 0.00 0.09 0.00 0.00 57.88 57.50 1qkt h LEU 469 Cb 0.37 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1qkt h LEU 469 CO 0.02 1.22 -0.39 -0.33 0.09 0.00 0.00 178.44 179.04 1qkt h GLU 470 N 0.60 0.04 0.13 1.13 5.08 -0.73 -1.43 114.58 119.40 1qkt h GLU 470 Ca 0.02 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1qkt h GLU 470 Cb 1.11 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1qkt h GLU 470 CO 0.11 0.43 -0.06 0.93 -1.00 0.00 0.00 179.01 179.42 1qkt h GLU 471 N 0.03 -0.17 -0.82 2.33 4.39 -0.76 -2.49 114.58 117.10 1qkt h GLU 471 Ca 0.00 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1qkt h GLU 471 Cb 0.71 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.36 1qkt h GLU 471 CO 0.05 0.26 0.46 0.87 -1.16 0.00 0.00 179.01 179.50 1qkt h LYS 472 N -0.67 1.13 0.06 2.33 1.57 -1.20 -1.60 116.57 118.18 1qkt h LYS 472 Ca -0.02 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1qkt h LYS 472 Cb 0.51 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1qkt h LYS 472 CO 0.03 0.81 -0.10 0.22 -0.57 0.00 0.00 179.45 179.84 1qkt h ASP 473 N 1.14 -0.27 -0.40 0.86 1.82 -1.30 -1.09 116.42 117.19 1qkt h ASP 473 Ca 0.29 0.03 0.07 0.00 -0.39 0.00 0.00 57.03 57.04 1qkt h ASP 473 Cb 0.00 0.10 -0.07 0.00 0.68 0.00 0.00 39.33 40.05 1qkt h ASP 473 CO -0.05 -0.15 -0.03 -0.74 -1.61 0.00 0.00 179.24 176.67 1qkt h HIS 474 N -0.20 -0.07 -0.44 0.28 2.76 -0.94 -0.54 115.15 115.99 1qkt h HIS 474 Ca 0.02 0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.25 1qkt h HIS 474 Cb 0.21 0.09 -0.04 0.00 1.55 0.00 0.00 27.41 29.23 1qkt h HIS 474 CO -0.13 -0.10 0.23 0.82 -1.30 0.00 0.00 177.93 177.45 1qkt h ILE 475 N 0.08 0.99 0.00 6.26 2.04 -1.02 -0.38 117.51 125.48 1qkt h ILE 475 Ca 0.19 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 1qkt h ILE 475 Cb 0.28 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1qkt h ILE 475 CO -0.35 0.09 -0.16 0.45 0.00 0.00 0.00 178.15 178.18 1qkt h HIS 476 N 0.47 0.00 0.07 1.37 3.86 -0.67 -0.74 115.15 119.51 1qkt h HIS 476 Ca 0.19 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 59.12 1qkt h HIS 476 Cb 0.07 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.56 1qkt h HIS 476 CO -0.09 0.16 -1.14 0.00 0.86 0.00 0.00 177.93 177.71 1qkt h ARG 477 N 0.00 0.57 -0.24 2.45 3.08 -0.02 -2.40 114.38 117.82 1qkt h ARG 477 Ca -0.00 -0.71 -0.06 0.00 0.07 0.00 0.00 59.98 59.28 1qkt h ARG 477 Cb 0.50 0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 1qkt h ARG 477 CO 0.02 1.30 -0.08 0.28 -1.07 0.00 0.00 179.97 180.42 1qkt h VAL 478 N 0.28 1.29 -0.93 2.04 2.07 -0.74 -2.57 116.25 117.69 1qkt h VAL 478 Ca -0.15 -1.12 0.10 0.00 0.82 0.00 0.00 66.70 66.35 1qkt h VAL 478 Cb 1.81 1.52 -0.08 0.00 -1.52 0.00 0.00 31.29 33.02 1qkt h VAL 478 CO 0.21 0.35 0.57 -0.07 0.02 0.00 0.00 177.57 178.65 1qkt h LEU 479 N 0.21 0.85 -1.05 2.57 3.38 -1.19 -0.10 115.31 119.99 1qkt h LEU 479 Ca 0.06 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1qkt h LEU 479 Cb 0.56 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 1qkt h LEU 479 CO 0.03 0.49 0.42 0.44 0.09 0.00 0.00 178.44 179.91 1qkt h ASP 480 N 0.96 0.97 -0.63 -0.43 3.32 -1.21 -0.75 116.42 118.65 1qkt h ASP 480 Ca 0.44 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 57.34 1qkt h ASP 480 Cb 0.36 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 1qkt h ASP 480 CO -0.24 0.79 0.16 0.11 -1.72 0.00 0.00 179.24 178.34 1qkt h LYS 481 N 1.09 1.03 -0.02 3.56 1.79 -0.67 -0.77 116.57 122.58 1qkt h LYS 481 Ca 0.27 -0.24 -0.09 0.00 -2.18 0.00 0.00 60.65 58.42 1qkt h LYS 481 Cb 0.04 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.53 1qkt h LYS 481 CO -0.04 0.91 -0.42 0.82 -1.08 0.00 0.00 179.45 179.64 1qkt h ILE 482 N 0.98 1.30 -0.18 1.86 2.04 -0.59 -1.16 117.51 121.78 1qkt h ILE 482 Ca 0.21 -1.46 -0.04 0.00 1.00 0.00 0.00 64.86 64.57 1qkt h ILE 482 Cb 0.35 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 1qkt h ILE 482 CO 0.00 0.42 -0.03 0.74 0.00 0.00 0.00 178.15 179.28 1qkt h THR 483 N 0.04 1.28 -0.86 -0.27 2.02 -0.43 -1.74 112.91 112.95 1qkt h THR 483 Ca 0.00 -0.96 0.06 0.00 0.77 0.00 0.00 66.41 66.28 1qkt h THR 483 Cb 0.76 1.54 -0.05 0.00 -1.74 0.00 0.00 68.15 68.66 1qkt h THR 483 CO 0.06 0.29 0.56 0.44 0.37 0.00 0.00 175.52 177.23 1qkt h ASP 484 N 0.06 0.85 0.17 4.18 3.32 -0.77 -1.83 116.42 122.41 1qkt h ASP 484 Ca 0.05 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1qkt h ASP 484 Cb 0.45 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1qkt h ASP 484 CO 0.01 0.55 -0.08 0.74 -1.72 0.00 0.00 179.24 178.74 1qkt h THR 485 N 0.97 0.91 -0.59 0.35 2.02 -0.94 -0.67 112.91 114.96 1qkt h THR 485 Ca 0.36 -0.38 0.10 0.00 0.77 0.00 0.00 66.41 67.27 1qkt h THR 485 Cb 0.19 1.14 -0.08 0.00 -1.74 0.00 0.00 68.15 67.66 1qkt h THR 485 CO -0.13 0.09 0.16 -0.07 0.37 0.00 0.00 175.52 175.94 1qkt h LEU 486 N -0.42 0.07 -0.55 2.58 3.38 -0.87 0.29 115.31 119.80 1qkt h LEU 486 Ca -0.02 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1qkt h LEU 486 Cb 0.33 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1qkt h LEU 486 CO 0.04 0.05 0.33 0.40 0.09 0.00 0.00 178.44 179.35 1qkt h ILE 487 N 0.30 1.16 -0.12 1.22 1.08 -1.22 -2.02 117.51 117.91 1qkt h ILE 487 Ca 0.30 -0.35 0.04 0.00 -0.39 0.00 0.00 64.86 64.46 1qkt h ILE 487 Cb 0.43 0.41 -0.04 0.00 -3.07 0.00 0.00 36.82 34.55 1qkt h ILE 487 CO -0.36 0.16 -0.12 -0.74 -0.69 0.00 0.00 178.15 176.40 1qkt h HIS 488 N 0.73 -0.31 -0.15 1.37 2.76 0.55 -0.06 115.15 120.05 1qkt h HIS 488 Ca 0.20 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.43 1qkt h HIS 488 Cb -0.02 0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.09 1qkt h HIS 488 CO -0.03 -0.19 0.14 -0.07 -1.30 0.00 0.00 177.93 176.49 1qkt h LEU 489 N -0.15 0.00 0.17 0.26 3.38 -0.09 -2.23 115.31 116.65 1qkt h LEU 489 Ca 0.08 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.70 1qkt h LEU 489 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1qkt h LEU 489 CO -0.21 0.00 -1.79 0.24 0.09 0.00 0.00 178.44 176.77 1qkt h MET 490 N 0.00 0.36 -0.46 1.13 2.86 -0.54 -3.15 114.93 115.12 1qkt h MET 490 Ca 0.07 -0.61 -0.00 0.00 -2.06 0.00 0.00 59.70 57.10 1qkt h MET 490 Cb 0.36 0.23 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 1qkt h MET 490 CO -0.00 1.28 0.28 0.00 1.06 0.00 0.00 176.91 179.53 1qkt h ALA 491 N 0.14 0.59 -0.24 6.32 0.00 -0.70 -2.48 119.26 122.89 1qkt h ALA 491 Ca -0.36 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.55 1qkt h ALA 491 Cb 2.08 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 19.63 1qkt h ALA 491 CO 0.16 0.07 -0.12 0.87 0.00 0.00 0.00 179.25 180.23 1qkt h LYS 492 N 0.62 -0.08 0.00 0.00 1.79 -1.55 -1.61 116.57 115.73 1qkt h LYS 492 Ca 0.17 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 1qkt h LYS 492 Cb -0.01 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1qkt h LYS 492 CO -0.03 -0.05 0.14 0.00 -1.08 0.00 0.00 179.45 178.42 1qkt h ALA 493 N 1.12 1.11 0.00 3.86 0.00 -1.42 -3.45 119.26 120.48 1qkt h ALA 493 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1qkt h ALA 493 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1qkt h ALA 493 CO -0.30 -0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.26 1qkt n GLY 494 N -1.25 0.64 3.77 0.00 0.00 -0.61 -5.08 105.19 102.66 1qkt n GLY 494 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 1qkt n GLY 494 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qkt s LEU 495 N 0.00 4.23 1.08 0.99 1.43 -0.97 -5.02 118.68 120.42 1qkt s LEU 495 Ca 0.00 2.33 -0.17 0.00 -1.03 0.00 0.00 54.13 55.26 1qkt s LEU 495 Cb 0.00 -3.98 0.23 0.00 0.03 0.00 0.00 46.19 42.47 1qkt s LEU 495 CO 0.00 -0.60 1.17 0.42 0.23 0.00 0.00 176.35 177.57 1qkt s THR 496 N -1.40 1.80 0.29 5.49 -4.23 -1.26 -4.50 115.64 111.83 1qkt s THR 496 Ca 0.56 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 61.09 1qkt s THR 496 Cb -0.30 -2.67 0.10 0.00 1.34 0.00 0.00 72.50 70.97 1qkt s THR 496 CO 0.38 0.00 1.77 -0.07 -0.54 0.00 0.00 174.62 176.16 1qkt h LEU 497 N -2.11 0.54 -0.13 4.79 3.38 -1.99 -0.17 115.31 119.62 1qkt h LEU 497 Ca -0.46 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.31 1qkt h LEU 497 Cb 1.29 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1qkt h LEU 497 CO 0.41 0.70 -0.09 -0.61 0.09 0.00 0.00 178.44 178.95 1qkt h GLN 498 N 0.51 0.30 0.00 1.13 4.15 -2.00 -2.53 115.11 116.67 1qkt h GLN 498 Ca 0.09 -0.14 -0.02 0.00 0.77 0.00 0.00 58.65 59.34 1qkt h GLN 498 Cb 0.53 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.22 1qkt h GLN 498 CO 0.03 0.66 -0.12 1.96 -1.93 0.00 0.00 178.83 179.44 1qkt h GLN 499 N -0.06 0.00 0.45 1.69 4.20 -1.86 -1.49 115.11 118.04 1qkt h GLN 499 Ca 0.03 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 1qkt h GLN 499 Cb 0.59 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.37 1qkt h GLN 499 CO 0.03 0.12 -0.22 1.96 -0.67 0.00 0.00 178.83 180.04 1qkt h GLN 500 N 0.00 -0.59 0.00 1.46 4.20 -0.77 0.15 115.11 119.56 1qkt h GLN 500 Ca -0.00 0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 1qkt h GLN 500 Cb 0.27 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 1qkt h GLN 500 CO 0.02 -0.30 -0.12 1.12 -0.67 0.00 0.00 178.83 178.88 1qkt h HIS 501 N -1.05 0.00 -0.06 2.96 2.07 -1.36 -0.86 115.15 116.86 1qkt h HIS 501 Ca -0.06 0.00 -0.21 0.00 -2.85 0.00 0.00 60.37 57.25 1qkt h HIS 501 Cb 0.56 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.55 1qkt h HIS 501 CO 0.02 0.12 -0.79 1.96 -3.07 0.00 0.00 177.93 176.17 1qkt h GLN 502 N 0.00 0.63 -0.25 5.12 4.20 -1.21 -2.45 115.11 121.15 1qkt h GLN 502 Ca -0.00 -0.60 -0.14 0.00 0.06 0.00 0.00 58.65 57.96 1qkt h GLN 502 Cb 0.31 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 1qkt h GLN 502 CO 0.02 1.21 -0.43 -0.09 -0.67 0.00 0.00 178.83 178.87 1qkt h ARG 503 N 0.27 0.62 -0.25 1.46 2.43 -0.12 -2.13 114.38 116.67 1qkt h ARG 503 Ca -0.08 -0.33 0.02 0.00 -0.81 0.00 0.00 59.98 58.77 1qkt h ARG 503 Cb 1.44 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.99 1qkt h ARG 503 CO 0.16 0.93 0.11 1.25 -1.51 0.00 0.00 179.97 180.91 1qkt h LEU 504 N 0.50 0.15 -0.19 3.80 5.85 -1.20 -1.03 115.31 123.20 1qkt h LEU 504 Ca 0.04 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1qkt h LEU 504 Cb 0.96 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 1qkt h LEU 504 CO 0.09 0.12 0.12 0.00 -0.34 0.00 0.00 178.44 178.43 1qkt h ALA 505 N 1.14 0.24 -0.78 1.25 0.00 -1.28 -1.10 119.26 118.72 1qkt h ALA 505 Ca 0.10 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.09 1qkt h ALA 505 Cb 0.05 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.70 1qkt h ALA 505 CO -0.09 -0.29 0.44 1.96 0.00 0.00 0.00 179.25 181.27 1qkt h GLN 506 N 0.24 0.73 -0.10 0.00 4.20 -1.08 0.11 115.11 119.22 1qkt h GLN 506 Ca 0.07 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.68 1qkt h GLN 506 Cb -0.02 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.60 1qkt h GLN 506 CO -0.03 0.49 -0.16 -0.07 -0.67 0.00 0.00 178.83 178.39 1qkt h LEU 507 N 0.76 0.31 -1.19 1.46 3.38 -0.87 -3.11 115.31 116.05 1qkt h LEU 507 Ca 0.37 -0.54 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 1qkt h LEU 507 Cb 0.31 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1qkt h LEU 507 CO -0.23 0.80 0.05 -0.07 0.09 0.00 0.00 178.44 179.08 1qkt h LEU 508 N -0.16 0.57 -1.57 1.67 3.38 -0.98 -1.92 115.31 116.29 1qkt h LEU 508 Ca 0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1qkt h LEU 508 Cb 0.74 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1qkt h LEU 508 CO 0.04 0.60 -0.07 -0.07 0.09 0.00 0.00 178.44 179.04 1qkt h LEU 509 N 0.59 0.00 -0.85 1.67 3.38 -1.01 -1.56 115.31 117.53 1qkt h LEU 509 Ca 0.13 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 1qkt h LEU 509 Cb 0.30 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1qkt h LEU 509 CO 0.00 0.07 -0.55 0.40 0.09 0.00 0.00 178.44 178.45 1qkt h ILE 510 N 0.00 1.39 -0.25 1.22 1.08 -1.27 -2.78 117.51 116.89 1qkt h ILE 510 Ca -0.00 -1.87 0.04 0.00 -0.39 0.00 0.00 64.86 62.64 1qkt h ILE 510 Cb 0.50 1.98 -0.01 0.00 -3.07 0.00 0.00 36.82 36.22 1qkt h ILE 510 CO 0.01 0.54 0.17 -0.07 -0.69 0.00 0.00 178.15 178.11 1qkt h LEU 511 N 0.06 0.13 -0.95 1.44 3.38 -1.24 -0.22 115.31 117.91 1qkt h LEU 511 Ca -0.00 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1qkt h LEU 511 Cb 0.98 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1qkt h LEU 511 CO 0.08 0.09 -0.50 0.77 0.09 0.00 0.00 178.44 178.97 1qkt h SER 512 N 0.15 0.07 0.41 -0.43 4.64 -1.56 -1.43 113.55 115.40 1qkt h SER 512 Ca 0.11 -0.03 -0.19 0.00 -0.47 0.00 0.00 61.79 61.20 1qkt h SER 512 Cb 0.25 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1qkt h SER 512 CO -0.02 0.56 -0.81 -0.74 -0.87 0.00 0.00 176.83 174.95 1qkt h HIS 513 N 0.06 0.44 -0.39 4.77 -0.00 -1.16 -2.41 115.15 116.45 1qkt h HIS 513 Ca -0.00 -0.22 -0.08 0.00 -0.00 0.00 0.00 60.37 60.07 1qkt h HIS 513 Cb 0.90 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 28.23 1qkt h HIS 513 CO 0.00 0.99 -0.11 0.82 -0.00 0.00 0.00 177.93 179.64 1qkt h ILE 514 N 0.19 1.25 -0.41 6.26 2.04 -1.04 -0.75 117.51 125.06 1qkt h ILE 514 Ca -0.04 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 64.69 1qkt h ILE 514 Cb 1.41 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 38.54 1qkt h ILE 514 CO 0.13 0.38 0.20 -0.09 0.00 0.00 0.00 178.15 178.77 1qkt h ARG 515 N 0.63 0.59 -0.65 2.37 9.65 -1.14 -1.90 114.38 123.92 1qkt h ARG 515 Ca 0.11 -0.08 0.04 0.00 -1.10 0.00 0.00 59.98 58.95 1qkt h ARG 515 Cb 0.55 -0.11 -0.05 0.00 -1.39 0.00 0.00 29.97 28.97 1qkt h ARG 515 CO 0.03 0.51 0.38 1.25 2.80 0.00 0.00 179.97 184.94 1qkt h HIS 516 N 0.53 0.70 -0.28 2.20 2.76 -0.96 -1.40 115.15 118.70 1qkt h HIS 516 Ca 0.14 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.27 1qkt h HIS 516 Cb 0.11 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 28.83 1qkt h HIS 516 CO -0.01 0.37 -0.12 0.52 -1.30 0.00 0.00 177.93 177.39 1qkt h MET 517 N 0.72 0.47 -0.26 5.26 2.86 -0.72 -1.68 114.93 121.57 1qkt h MET 517 Ca 0.28 -0.13 -0.04 0.00 -2.06 0.00 0.00 59.70 57.75 1qkt h MET 517 Cb 0.11 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1qkt h MET 517 CO -0.15 0.58 0.00 1.03 1.06 0.00 0.00 176.91 179.44 1qkt h SER 518 N 0.43 0.45 -0.53 1.22 0.87 -0.70 0.56 113.55 115.87 1qkt h SER 518 Ca 0.08 -0.31 0.04 0.00 -1.23 0.00 0.00 61.79 60.38 1qkt h SER 518 Cb 0.47 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.26 1qkt h SER 518 CO 0.03 0.65 0.28 0.78 -0.53 0.00 0.00 176.83 178.04 1qkt h ASN 519 N 0.24 0.42 -0.70 6.23 2.35 -0.94 0.74 115.58 123.92 1qkt h ASN 519 Ca 0.07 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 1qkt h ASN 519 Cb 0.42 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.69 1qkt h ASN 519 CO 0.01 0.29 0.32 0.11 -1.65 0.00 0.00 177.43 176.51 1qkt h LYS 520 N 0.55 1.05 -0.43 0.81 1.79 -1.10 -1.37 116.57 117.86 1qkt h LYS 520 Ca 0.23 -0.16 -0.14 0.00 -2.18 0.00 0.00 60.65 58.40 1qkt h LYS 520 Cb 0.11 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.57 1qkt h LYS 520 CO -0.14 0.83 -0.29 0.78 -1.08 0.00 0.00 179.45 179.54 1qkt h GLY 521 N 1.09 1.03 1.39 3.86 0.00 0.52 -2.48 103.07 108.48 1qkt h GLY 521 Ca 0.25 -0.97 -0.04 0.00 0.00 0.00 0.00 47.33 46.57 1qkt h GLY 521 CO -0.03 0.88 0.17 -0.33 0.00 0.00 0.00 176.54 177.23 1qkt h MET 522 N 0.80 0.77 -0.40 4.80 2.86 0.79 0.19 114.93 124.75 1qkt h MET 522 Ca 0.09 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 1qkt h MET 522 Cb 0.87 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.38 1qkt h MET 522 CO 0.08 0.66 0.11 0.93 1.06 0.00 0.00 176.91 179.76 1qkt h GLU 523 N 0.76 0.63 0.05 1.72 5.08 -1.05 0.26 114.58 122.02 1qkt h GLU 523 Ca 0.18 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1qkt h GLU 523 Cb 0.21 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1qkt h GLU 523 CO -0.01 0.64 -0.02 1.25 -1.00 0.00 0.00 179.01 179.86 1qkt h HIS 524 N 0.50 -0.06 -0.06 4.33 2.76 -1.00 -2.41 115.15 119.21 1qkt h HIS 524 Ca 0.13 -0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.33 1qkt h HIS 524 Cb 0.28 0.02 -0.04 0.00 1.55 0.00 0.00 27.41 29.22 1qkt h HIS 524 CO 0.01 0.26 -0.14 1.25 -1.30 0.00 0.00 177.93 178.01 1qkt h LEU 525 N -0.38 -0.42 0.00 0.26 6.46 -0.52 -1.17 115.31 119.53 1qkt h LEU 525 Ca -0.01 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 1qkt h LEU 525 Cb 0.35 0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.47 1qkt h LEU 525 CO 0.01 -0.19 0.00 0.00 -0.62 0.00 0.00 178.44 177.64 1qkt n TYR 526 N -5.28 0.00 0.12 1.25 4.19 0.89 -1.98 117.16 116.35 1qkt n TYR 526 Ca -0.04 0.00 0.12 0.00 3.31 0.00 0.00 57.90 61.28 1qkt n TYR 526 Cb 0.20 -0.46 0.00 0.00 0.49 0.00 0.00 39.34 39.57 1qkt n TYR 526 CO 0.00 0.00 0.00 -1.13 0.91 0.00 0.00 176.86 176.64 1qkt n SER 527 N -1.46 0.84 0.00 2.98 3.41 -0.45 -4.61 113.62 114.33 1qkt n SER 527 Ca 0.02 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 1qkt n SER 527 Cb 0.06 0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1qkt n SER 527 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1qkt n MET 528 N -2.66 0.00 -0.76 4.33 2.81 -0.84 -4.97 117.12 115.04 1qkt n MET 528 Ca 0.00 0.17 -0.33 0.00 -1.81 0.00 0.00 57.70 55.72 1qkt n MET 528 Cb 0.55 -0.57 0.14 0.00 -0.71 0.00 0.00 33.22 32.62 1qkt n MET 528 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1qkt n LYS 529 N -1.71 -0.91 -4.46 0.03 5.02 -1.20 -5.01 118.16 109.92 1qkt n LYS 529 Ca 0.00 -0.24 -0.24 0.00 -2.02 0.00 0.00 58.31 55.81 1qkt n LYS 529 Cb 0.00 -1.68 -0.10 0.00 -0.02 0.00 0.00 35.03 33.23 1qkt n LYS 529 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1qkt s SER 530 N -1.82 3.66 0.00 4.39 1.04 -1.26 -4.92 113.70 114.79 1qkt s SER 530 Ca 0.54 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.97 1qkt s SER 530 Cb -0.14 -0.34 0.00 0.00 0.10 0.00 0.00 66.02 65.64 1qkt s SER 530 CO 0.68 0.04 0.00 2.29 0.98 0.00 0.00 173.24 177.22 1qkt n LYS 531 N -0.63 0.00 -3.49 4.02 -0.00 -1.26 -3.80 118.16 113.00 1qkt n LYS 531 Ca -0.05 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 57.99 1qkt n LYS 531 Cb 0.60 -1.02 -0.10 0.00 -0.00 0.00 0.00 35.03 34.51 1qkt n LYS 531 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1qkt n ASN 532 N 0.53 1.39 -3.64 -5.58 2.85 -1.26 -5.03 115.26 104.52 1qkt n ASN 532 Ca 0.00 -2.87 -0.09 0.00 -0.11 0.00 0.00 54.58 51.51 1qkt n ASN 532 Cb 0.00 -0.65 -0.07 0.00 1.24 0.00 0.00 39.78 40.30 1qkt n ASN 532 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1qkt s VAL 533 N -1.09 0.00 -0.56 3.44 0.11 -1.25 -5.08 120.40 115.97 1qkt s VAL 533 Ca 0.32 0.00 -0.42 0.00 -2.93 0.00 0.00 61.98 58.96 1qkt s VAL 533 Cb 0.07 -1.00 -0.19 0.00 -1.53 0.00 0.00 36.38 33.73 1qkt s VAL 533 CO -0.14 0.00 2.22 1.33 -3.33 0.00 0.00 175.10 175.18 1qkt n VAL 534 N 2.77 0.01 -1.61 2.04 0.24 -1.26 -4.74 118.33 115.78 1qkt n VAL 534 Ca -0.14 -0.02 -0.48 0.00 -2.04 0.00 0.00 64.34 61.66 1qkt n VAL 534 Cb 0.56 -0.56 -0.04 0.00 -1.47 0.00 0.00 33.84 32.33 1qkt n VAL 534 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1qkt n PRO 535 N 7.67 1.45 -0.53 7.34 -0.04 -1.26 -4.77 135.00 144.86 1qkt n PRO 535 Ca 0.56 0.52 0.43 0.00 -0.04 0.00 0.00 63.50 64.97 1qkt n PRO 535 Cb -0.02 -2.11 0.71 0.00 -0.04 0.00 0.00 33.50 32.04 1qkt n PRO 535 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1qkt n LEU 536 N 2.30 0.15 -0.14 1.53 7.94 -1.26 -0.84 117.00 126.68 1qkt n LEU 536 Ca 0.15 1.25 -0.04 0.00 -1.11 0.00 0.00 56.01 56.26 1qkt n LEU 536 Cb 0.25 -0.62 0.02 0.00 0.53 0.00 0.00 43.42 43.61 1qkt n LEU 536 CO 0.62 -1.33 0.74 0.22 -1.11 0.00 0.00 177.39 176.53 1qkt h TYR 537 N 0.00 -0.38 -0.20 1.96 3.20 -1.98 -1.92 116.97 117.65 1qkt h TYR 537 Ca 0.88 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.79 1qkt h TYR 537 Cb 3.06 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 41.56 1qkt h TYR 537 CO -0.00 -0.25 0.09 -0.44 -1.64 0.00 0.00 178.16 175.92 1qkt h ASP 538 N -0.06 0.27 -0.47 -2.11 3.32 -1.32 0.35 116.42 116.39 1qkt h ASP 538 Ca 0.22 -0.14 0.07 0.00 0.02 0.00 0.00 57.03 57.19 1qkt h ASP 538 Cb 0.39 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 39.82 1qkt h ASP 538 CO -0.49 0.34 0.14 0.25 -1.72 0.00 0.00 179.24 177.76 1qkt h LEU 539 N 0.18 0.12 -0.23 1.55 5.85 -1.56 0.23 115.31 121.44 1qkt h LEU 539 Ca 0.07 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1qkt h LEU 539 Cb 0.15 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1qkt h LEU 539 CO -0.01 0.09 0.15 -0.07 -0.34 0.00 0.00 178.44 178.27 1qkt h LEU 540 N 0.30 0.25 0.02 2.25 3.38 -1.19 -1.64 115.31 118.69 1qkt h LEU 540 Ca 0.23 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.21 1qkt h LEU 540 Cb 0.26 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1qkt h LEU 540 CO -0.25 0.18 -0.11 0.25 0.09 0.00 0.00 178.44 178.60 1qkt h LEU 541 N 0.30 -0.32 -0.39 1.67 6.46 0.03 0.35 115.31 123.42 1qkt h LEU 541 Ca 0.09 0.05 0.07 0.00 -0.12 0.00 0.00 57.88 57.97 1qkt h LEU 541 Cb -0.02 0.13 -0.07 0.00 -0.73 0.00 0.00 40.66 39.97 1qkt h LEU 541 CO -0.03 -0.16 -0.01 -0.08 -0.62 0.00 0.00 178.44 177.54 1qkt h GLU 542 N -0.20 0.08 -0.12 1.25 4.57 -0.41 0.49 114.58 120.24 1qkt h GLU 542 Ca 0.03 -0.01 -0.17 0.00 -1.18 0.00 0.00 59.36 58.04 1qkt h GLU 542 Cb 0.24 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 1qkt h GLU 542 CO -0.10 0.06 -0.63 0.52 -1.18 0.00 0.00 179.01 177.68 1qkt h MET 543 N 0.09 0.42 -0.02 1.92 0.00 -1.09 -3.25 114.93 113.00 1qkt h MET 543 Ca 0.19 -0.30 -0.19 0.00 0.00 0.00 0.00 59.70 59.40 1qkt h MET 543 Cb 0.28 0.05 -0.01 0.00 0.00 0.00 0.00 31.60 31.92 1qkt h MET 543 CO -0.34 0.91 -0.83 -0.07 0.00 0.00 0.00 176.91 176.59 1qkt h LEU 544 N 0.31 0.36 -6.85 1.22 3.38 0.19 -3.37 115.31 110.55 1qkt h LEU 544 Ca -0.01 -0.27 -0.74 0.00 0.09 0.00 0.00 57.88 56.95 1qkt h LEU 544 Cb 1.17 -0.11 -0.14 0.00 0.09 0.00 0.00 40.66 41.67 1qkt h LEU 544 CO 0.11 1.04 1.97 -0.67 0.09 0.00 0.00 178.44 180.98 1qkt n ASP 545 N -3.74 4.99 -4.88 -0.43 2.03 0.17 -4.98 116.55 109.70 1qkt n ASP 545 Ca -0.04 -3.03 -0.32 0.00 0.52 0.00 0.00 54.79 51.91 1qkt n ASP 545 Cb 0.77 -1.54 -0.05 0.00 -0.72 0.00 0.00 41.12 39.58 1qkt n ASP 545 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1qkt s ALA 546 N 1.27 3.69 0.81 -1.67 0.00 -1.26 -4.91 121.76 119.69 1qkt s ALA 546 Ca 0.42 -0.41 -0.07 0.00 0.00 0.00 0.00 51.96 51.90 1qkt s ALA 546 Cb 0.06 -2.28 0.15 0.00 0.00 0.00 0.00 23.12 21.05 1qkt s ALA 546 CO -0.00 0.59 1.12 -3.38 0.00 0.00 0.00 175.76 174.08 1qkt s HIS 547 N -1.68 1.70 -0.46 0.00 -3.43 -1.26 -5.03 115.29 105.13 1qkt s HIS 547 Ca 0.42 0.01 0.05 0.00 -0.80 0.00 0.00 55.06 54.73 1qkt s HIS 547 Cb -0.12 -3.43 0.42 0.00 -1.43 0.00 0.00 32.58 28.01 1qkt s HIS 547 CO 0.22 -2.04 1.20 0.54 -2.00 0.00 0.00 174.74 172.66 1qkt n ARG 548 N -3.19 3.38 -0.07 -0.38 1.74 -1.26 -4.75 116.66 112.13 1qkt n ARG 548 Ca 0.14 -4.39 -0.20 0.00 -0.77 0.00 0.00 57.85 52.63 1qkt n ARG 548 Cb 0.60 -2.25 -0.13 0.00 -1.02 0.00 0.00 32.46 29.66 1qkt n ARG 548 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1qkt n LEU 549 N -0.51 2.71 -2.64 0.55 4.32 -1.26 -4.31 117.00 115.87 1qkt n LEU 549 Ca 0.41 0.07 -0.17 0.00 -0.02 0.00 0.00 56.01 56.29 1qkt n LEU 549 Cb 0.65 -1.00 -0.08 0.00 -1.62 0.00 0.00 43.42 41.37 1qkt n LEU 549 CO 0.35 0.85 1.96 1.41 -1.22 0.00 0.00 177.39 180.74 1qkt n HIS 550 N -3.48 0.79 0.16 -1.77 8.25 -1.26 -5.36 115.22 112.55 1qkt n HIS 550 Ca -0.40 -1.66 0.01 0.00 -0.26 0.00 0.00 57.72 55.41 1qkt n HIS 550 Cb 0.99 -1.58 0.07 0.00 1.12 0.00 0.00 29.99 30.60 1qkt n HIS 550 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98