#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dk4 n LYS 302 N 0.00 -2.64 0.02 0.03 4.76 -1.26 -4.84 118.16 114.23 1dk4 n LYS 302 Ca 0.00 -0.65 -0.11 0.00 -2.87 0.00 0.00 58.31 54.68 1dk4 n LYS 302 Cb 0.00 -0.73 -0.09 0.00 -1.84 0.00 0.00 35.03 32.37 1dk4 n LYS 302 CO 0.00 0.00 0.00 -1.49 -1.37 0.00 0.00 177.40 174.54 1dk4 h TRP 303 N -2.39 -0.12 -0.51 2.13 4.06 -2.02 -3.13 115.95 113.96 1dk4 h TRP 303 Ca -0.16 -0.00 0.15 0.00 2.06 0.00 0.00 58.89 60.93 1dk4 h TRP 303 Cb 0.53 0.04 -0.02 0.00 -1.00 0.00 0.00 29.16 28.71 1dk4 h TRP 303 CO 0.00 0.41 0.53 0.38 -3.56 0.00 0.00 178.44 176.19 1dk4 h ASP 304 N -0.81 0.00 0.62 -3.49 -0.00 -1.98 0.82 116.42 111.59 1dk4 h ASP 304 Ca -0.01 0.00 -0.13 0.00 -0.00 0.00 0.00 57.03 56.88 1dk4 h ASP 304 Cb 0.58 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 39.89 1dk4 h ASP 304 CO 0.02 0.00 -0.63 -0.33 -0.00 0.00 0.00 179.24 178.30 1dk4 h GLU 305 N 0.00 0.01 0.05 4.15 5.08 -1.89 -2.02 114.58 119.96 1dk4 h GLU 305 Ca 0.24 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1dk4 h GLU 305 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1dk4 h GLU 305 CO -0.00 0.64 -0.02 0.82 -1.00 0.00 0.00 179.01 179.44 1dk4 h ILE 306 N 0.01 1.30 0.00 3.13 5.03 0.64 -2.54 117.51 125.08 1dk4 h ILE 306 Ca -0.01 -1.48 0.00 0.00 -0.12 0.00 0.00 64.86 63.25 1dk4 h ILE 306 Cb 1.12 2.24 0.00 0.00 -3.03 0.00 0.00 36.82 37.15 1dk4 h ILE 306 CO 0.08 0.36 0.00 0.61 -0.68 0.00 0.00 178.15 178.52 1dk4 n GLY 307 N 0.78 -2.92 0.49 5.37 0.00 -0.33 -0.45 105.19 108.14 1dk4 n GLY 307 Ca -0.08 0.38 0.31 0.00 0.00 0.00 0.00 46.02 46.63 1dk4 n GLY 307 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dk4 h LYS 308 N 0.00 0.11 0.01 1.61 1.57 -1.52 -1.36 116.57 116.99 1dk4 h LYS 308 Ca 0.00 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1dk4 h LYS 308 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1dk4 h LYS 308 CO 0.00 0.07 -0.00 -0.97 -0.57 0.00 0.00 179.45 177.98 1dk4 h ASN 309 N 0.11 -0.01 -0.89 0.86 -0.00 -0.65 -3.13 115.58 111.86 1dk4 h ASN 309 Ca 0.57 -0.69 0.25 0.00 -0.00 0.00 0.00 56.30 56.43 1dk4 h ASN 309 Cb 2.03 0.00 -0.04 0.00 -0.00 0.00 0.00 38.32 40.31 1dk4 h ASN 309 CO -0.10 0.70 0.63 0.40 -0.00 0.00 0.00 177.43 179.06 1dk4 h ILE 310 N -0.73 0.57 0.05 2.57 2.04 0.37 -1.76 117.51 120.63 1dk4 h ILE 310 Ca -0.00 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 1dk4 h ILE 310 Cb 0.70 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1dk4 h ILE 310 CO 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 178.15 178.14 1dk4 h ALA 311 N 1.57 -0.07 -0.14 1.87 0.00 -1.49 -2.59 119.26 118.41 1dk4 h ALA 311 Ca 0.43 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1dk4 h ALA 311 Cb 1.62 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1dk4 h ALA 311 CO -0.04 -0.25 0.12 0.87 0.00 0.00 0.00 179.25 179.95 1dk4 h LYS 312 N -0.65 0.00 0.66 0.00 1.57 -1.27 0.38 116.57 117.26 1dk4 h LYS 312 Ca -0.01 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1dk4 h LYS 312 Cb 0.56 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.88 1dk4 h LYS 312 CO 0.01 0.00 -0.32 0.93 -0.57 0.00 0.00 179.45 179.51 1dk4 h GLU 313 N 0.00 -0.85 -0.78 3.15 5.08 -1.45 -2.93 114.58 116.80 1dk4 h GLU 313 Ca 0.07 0.06 0.18 0.00 -1.00 0.00 0.00 59.36 58.66 1dk4 h GLU 313 Cb 0.31 0.19 -0.14 0.00 0.50 0.00 0.00 28.75 29.62 1dk4 h GLU 313 CO -0.00 -0.57 -0.01 0.82 -1.00 0.00 0.00 179.01 178.25 1dk4 h ILE 314 N -1.03 0.30 -0.08 3.13 2.04 -0.81 -2.07 117.51 118.98 1dk4 h ILE 314 Ca -0.09 -0.03 0.02 0.00 1.00 0.00 0.00 64.86 65.76 1dk4 h ILE 314 Cb 0.68 0.21 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 1dk4 h ILE 314 CO 0.15 0.02 -0.47 -0.08 0.00 0.00 0.00 178.15 177.77 1dk4 h GLU 315 N 0.09 -0.51 0.00 2.37 4.81 -0.31 -0.33 114.58 120.70 1dk4 h GLU 315 Ca 0.43 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.69 1dk4 h GLU 315 Cb 0.75 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.25 1dk4 h GLU 315 CO -0.70 -0.34 0.00 1.57 -0.73 0.00 0.00 179.01 178.81 1dk4 h LYS 316 N -0.53 0.00 0.00 1.92 2.10 -1.18 -1.91 116.57 116.97 1dk4 h LYS 316 Ca 0.02 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 58.32 1dk4 h LYS 316 Cb 0.60 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.86 1dk4 h LYS 316 CO -0.36 0.00 -2.23 0.39 -2.00 0.00 0.00 179.45 175.26 1dk4 n GLU 317 N -2.58 0.68 -0.00 0.07 -0.58 -0.38 -4.66 120.64 113.19 1dk4 n GLU 317 Ca -0.02 0.07 0.02 0.00 -0.42 0.00 0.00 57.16 56.81 1dk4 n GLU 317 Cb 0.05 -1.59 -0.02 0.00 -0.57 0.00 0.00 31.44 29.31 1dk4 n GLU 317 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 1dk4 n ILE 318 N -2.84 0.00 -0.02 -3.67 -6.64 -0.28 -4.59 119.36 101.32 1dk4 n ILE 318 Ca -0.30 -0.41 -0.09 0.00 -1.77 0.00 0.00 62.75 60.18 1dk4 n ILE 318 Cb 1.13 0.99 -0.03 0.00 -1.44 0.00 0.00 39.64 40.29 1dk4 n ILE 318 CO 0.00 0.00 0.00 -0.07 -1.77 0.00 0.00 176.55 174.71 1dk4 h LEU 319 N 0.00 -0.37 -7.55 7.28 3.38 -1.55 -2.93 115.31 113.57 1dk4 h LEU 319 Ca 0.00 0.08 -0.61 0.00 0.09 0.00 0.00 57.88 57.44 1dk4 h LEU 319 Cb 0.08 0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 1dk4 h LEU 319 CO 0.00 -0.15 2.12 -0.81 0.09 0.00 0.00 178.44 179.69 1dk4 n PRO 320 N -5.27 2.74 0.00 1.13 -0.04 -1.26 -0.61 135.00 131.69 1dk4 n PRO 320 Ca -0.02 -2.95 0.00 0.00 -0.04 0.00 0.00 63.50 60.49 1dk4 n PRO 320 Cb 0.18 -3.49 0.00 0.00 -0.04 0.00 0.00 33.50 30.16 1dk4 n PRO 320 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1dk4 n TYR 321 N 9.24 0.00 -1.56 0.54 4.01 -1.11 -5.01 117.16 123.28 1dk4 n TYR 321 Ca 0.49 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.77 1dk4 n TYR 321 Cb 0.45 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.43 1dk4 n TYR 321 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1dk4 n PHE 322 N -0.01 1.88 0.00 -0.72 -0.00 0.22 -0.39 117.46 118.43 1dk4 n PHE 322 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1dk4 n PHE 322 Cb 0.00 -2.67 0.00 0.00 -0.00 0.00 0.00 39.48 36.81 1dk4 n PHE 322 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1dk4 n GLY 323 N 5.93 2.97 2.97 7.13 0.00 -0.49 -4.78 105.19 118.92 1dk4 n GLY 323 Ca 0.33 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.99 1dk4 n GLY 323 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dk4 n ARG 324 N -2.00 1.56 -0.09 1.61 1.74 0.47 -4.64 116.66 115.31 1dk4 n ARG 324 Ca 0.00 -1.65 0.26 0.00 -0.77 0.00 0.00 57.85 55.69 1dk4 n ARG 324 Cb 0.00 -2.73 0.70 0.00 -1.02 0.00 0.00 32.46 29.40 1dk4 n ARG 324 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1dk4 h LYS 325 N 7.52 0.00 0.00 5.56 1.57 -1.80 -0.99 116.57 128.43 1dk4 h LYS 325 Ca 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 1dk4 h LYS 325 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1dk4 h LYS 325 CO 1.78 0.00 -0.30 -0.40 -0.57 0.00 0.00 179.45 179.96 1dk4 n ASP 326 N -3.83 0.39 -1.17 0.86 5.68 -1.26 -4.07 116.55 113.16 1dk4 n ASP 326 Ca 0.16 0.15 0.11 0.00 -0.50 0.00 0.00 54.79 54.71 1dk4 n ASP 326 Cb 0.96 -0.12 0.23 0.00 -1.14 0.00 0.00 41.12 41.05 1dk4 n ASP 326 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1dk4 n LYS 327 N -1.67 2.53 -4.14 0.11 5.02 -0.38 -4.97 118.16 114.66 1dk4 n LYS 327 Ca 0.06 -2.35 -0.18 0.00 -2.02 0.00 0.00 58.31 53.83 1dk4 n LYS 327 Cb 0.36 -1.51 -0.15 0.00 -0.02 0.00 0.00 35.03 33.71 1dk4 n LYS 327 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1dk4 s SER 328 N -1.34 0.71 0.01 4.39 0.15 -1.26 -4.98 113.70 111.38 1dk4 s SER 328 Ca 0.40 -0.10 0.08 0.00 0.70 0.00 0.00 55.95 57.03 1dk4 s SER 328 Cb 0.23 -0.22 -0.03 0.00 -1.71 0.00 0.00 66.02 64.29 1dk4 s SER 328 CO 0.31 0.00 -0.23 -0.72 1.20 0.00 0.00 173.24 173.80 1dk4 s TYR 329 N 0.39 2.42 0.57 3.44 -0.85 -1.26 -4.91 117.35 117.15 1dk4 s TYR 329 Ca -0.05 -0.36 -0.18 0.00 -0.52 0.00 0.00 57.07 55.97 1dk4 s TYR 329 Cb -0.08 -1.47 -0.09 0.00 0.38 0.00 0.00 41.96 40.70 1dk4 s TYR 329 CO -0.00 0.11 0.41 0.28 -1.52 0.00 0.00 175.55 174.83 1dk4 n VAL 330 N 1.99 1.87 0.00 -3.49 0.31 -1.26 -2.09 118.33 115.66 1dk4 n VAL 330 Ca -0.16 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.67 1dk4 n VAL 330 Cb 0.52 -0.57 0.00 0.00 -0.91 0.00 0.00 33.84 32.87 1dk4 n VAL 330 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1dk4 n VAL 331 N -1.71 0.00 -3.47 2.52 0.24 -0.65 -4.82 118.33 110.44 1dk4 n VAL 331 Ca 0.11 -0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 1dk4 n VAL 331 Cb 0.48 0.35 0.00 0.00 -1.47 0.00 0.00 33.84 33.20 1dk4 n VAL 331 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1dk4 n GLY 332 N 0.88 0.76 2.93 7.63 0.00 -1.24 -5.03 105.19 111.12 1dk4 n GLY 332 Ca 0.00 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 1dk4 n GLY 332 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dk4 s THR 333 N -2.13 1.26 0.54 2.61 2.01 -1.26 -1.56 115.64 117.10 1dk4 s THR 333 Ca 0.00 -0.69 -0.18 0.00 0.31 0.00 0.00 61.69 61.13 1dk4 s THR 333 Cb 0.00 -1.38 -0.06 0.00 0.01 0.00 0.00 72.50 71.07 1dk4 s THR 333 CO 0.00 0.18 1.04 -0.55 -0.69 0.00 0.00 174.62 174.61 1dk4 s SER 334 N 1.57 6.11 0.31 3.53 0.15 -0.37 -4.89 113.70 120.12 1dk4 s SER 334 Ca 0.01 1.86 0.17 0.00 0.70 0.00 0.00 55.95 58.69 1dk4 s SER 334 Cb -0.15 -2.55 1.12 0.00 -1.71 0.00 0.00 66.02 62.74 1dk4 s SER 334 CO -0.08 -0.94 1.34 -2.65 1.20 0.00 0.00 173.24 172.10 1dk4 n PRO 335 N -1.48 -0.05 0.00 5.44 -0.02 -1.26 0.66 135.00 138.29 1dk4 n PRO 335 Ca 0.09 1.17 0.09 0.00 -2.02 0.00 0.00 63.50 62.83 1dk4 n PRO 335 Cb 0.53 -2.10 0.55 0.00 -0.02 0.00 0.00 33.50 32.46 1dk4 n PRO 335 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1dk4 n SER 336 N -4.93 0.00 0.00 2.55 3.41 -1.26 -4.69 113.62 108.70 1dk4 n SER 336 Ca 0.32 -1.19 0.00 0.00 -0.26 0.00 0.00 58.87 57.74 1dk4 n SER 336 Cb 1.07 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.02 1dk4 n SER 336 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dk4 n GLY 337 N 0.64 3.24 3.43 5.00 0.00 0.21 -5.01 105.19 112.70 1dk4 n GLY 337 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1dk4 n GLY 337 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dk4 n ASP 338 N 0.07 -1.69 -4.75 1.61 10.43 -1.24 -4.68 116.55 116.30 1dk4 n ASP 338 Ca 0.00 0.01 -0.36 0.00 2.57 0.00 0.00 54.79 57.02 1dk4 n ASP 338 Cb 0.00 -1.19 -0.08 0.00 1.84 0.00 0.00 41.12 41.69 1dk4 n ASP 338 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1dk4 s GLU 339 N -4.02 3.71 -0.48 -1.24 2.02 -1.26 -1.24 118.70 116.19 1dk4 s GLU 339 Ca 0.63 -0.25 -0.20 0.00 0.02 0.00 0.00 54.97 55.17 1dk4 s GLU 339 Cb -0.20 -3.20 0.04 0.00 0.10 0.00 0.00 34.13 30.88 1dk4 s GLU 339 CO 0.65 0.51 0.62 0.99 0.02 0.00 0.00 175.26 178.05 1dk4 s THR 340 N -0.29 4.86 0.86 3.63 2.01 -0.60 -4.85 115.64 121.26 1dk4 s THR 340 Ca 0.10 -0.29 -0.12 0.00 0.31 0.00 0.00 61.69 61.69 1dk4 s THR 340 Cb -0.12 -4.26 0.11 0.00 0.01 0.00 0.00 72.50 68.24 1dk4 s THR 340 CO 0.01 -0.72 1.10 -1.61 -0.69 0.00 0.00 174.62 172.70 1dk4 s GLU 341 N 2.68 1.59 0.29 4.92 0.41 -1.26 -1.63 118.70 125.69 1dk4 s GLU 341 Ca 0.17 0.70 0.05 0.00 -0.41 0.00 0.00 54.97 55.48 1dk4 s GLU 341 Cb -0.17 -1.86 0.43 0.00 -1.78 0.00 0.00 34.13 30.75 1dk4 s GLU 341 CO 0.14 -1.98 1.70 0.97 -0.49 0.00 0.00 175.26 175.60 1dk4 h ILE 342 N -1.36 1.29 -0.43 -1.63 2.10 -1.74 -0.04 117.51 115.71 1dk4 h ILE 342 Ca -0.49 -1.44 -0.02 0.00 1.08 0.00 0.00 64.86 63.99 1dk4 h ILE 342 Cb 1.28 1.58 -0.02 0.00 -1.09 0.00 0.00 36.82 38.57 1dk4 h ILE 342 CO 0.57 0.44 0.18 2.19 -1.08 0.00 0.00 178.15 180.45 1dk4 h PHE 343 N 0.28 0.60 0.20 2.19 -5.15 -1.92 0.16 116.94 113.29 1dk4 h PHE 343 Ca 0.03 -0.02 -0.01 0.00 -0.20 0.00 0.00 57.97 57.77 1dk4 h PHE 343 Cb 0.78 -0.19 -0.00 0.00 0.22 0.00 0.00 35.95 36.76 1dk4 h PHE 343 CO 0.02 0.46 -0.14 -0.44 -2.00 0.00 0.00 178.31 176.21 1dk4 h ASP 344 N 0.61 -0.37 0.27 -0.68 3.32 -1.71 -2.78 116.42 115.08 1dk4 h ASP 344 Ca 0.15 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1dk4 h ASP 344 Cb 0.11 0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 1dk4 h ASP 344 CO -0.02 -0.21 -0.34 0.50 -1.72 0.00 0.00 179.24 177.46 1dk4 h LYS 345 N -0.32 -0.64 -0.87 3.56 3.64 -0.51 -0.39 116.57 121.04 1dk4 h LYS 345 Ca -0.03 0.04 0.23 0.00 -1.27 0.00 0.00 60.65 59.63 1dk4 h LYS 345 Cb 0.26 0.15 -0.14 0.00 -0.41 0.00 0.00 32.23 32.09 1dk4 h LYS 345 CO 0.01 -0.43 0.23 0.82 -2.27 0.00 0.00 179.45 177.81 1dk4 h ILE 346 N -0.66 0.33 -0.00 2.00 2.04 -0.82 0.42 117.51 120.81 1dk4 h ILE 346 Ca -0.01 -0.07 -0.19 0.00 1.00 0.00 0.00 64.86 65.59 1dk4 h ILE 346 Cb 0.63 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1dk4 h ILE 346 CO -0.10 0.04 -0.85 0.77 0.00 0.00 0.00 178.15 178.00 1dk4 h SER 347 N 0.21 0.26 0.05 1.72 4.64 -1.09 -2.95 113.55 116.39 1dk4 h SER 347 Ca 0.54 -0.20 0.01 0.00 -0.47 0.00 0.00 61.79 61.67 1dk4 h SER 347 Cb 1.08 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.07 1dk4 h SER 347 CO -0.65 0.99 -0.09 -0.08 -0.87 0.00 0.00 176.83 176.13 1dk4 h GLU 348 N 0.11 -0.18 -0.73 4.77 4.81 0.14 -1.88 114.58 121.63 1dk4 h GLU 348 Ca -0.04 0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.35 1dk4 h GLU 348 Cb 1.47 0.04 -0.14 0.00 0.63 0.00 0.00 28.75 30.75 1dk4 h GLU 348 CO 0.13 -0.12 -0.19 -0.44 -0.73 0.00 0.00 179.01 177.66 1dk4 h ASP 349 N -0.19 -0.70 -0.50 1.04 3.32 -1.01 0.25 116.42 118.63 1dk4 h ASP 349 Ca 0.02 0.22 0.12 0.00 0.02 0.00 0.00 57.03 57.41 1dk4 h ASP 349 Cb 0.20 0.46 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 1dk4 h ASP 349 CO -0.06 -0.24 0.35 0.40 -1.72 0.00 0.00 179.24 177.97 1dk4 h ILE 350 N -0.01 0.81 0.24 0.35 2.04 -1.17 0.24 117.51 120.01 1dk4 h ILE 350 Ca 0.35 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 66.15 1dk4 h ILE 350 Cb 0.54 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1dk4 h ILE 350 CO -0.75 0.02 -0.11 0.00 0.00 0.00 0.00 178.15 177.31 1dk4 h ALA 351 N 1.75 -0.32 0.00 1.87 0.00 -0.70 -3.09 119.26 118.77 1dk4 h ALA 351 Ca 0.24 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1dk4 h ALA 351 Cb 0.77 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1dk4 h ALA 351 CO -0.03 -0.47 0.00 -0.07 0.00 0.00 0.00 179.25 178.68 1dk4 h LEU 352 N -0.75 0.00 -1.41 0.00 4.07 0.03 -1.57 115.31 115.68 1dk4 h LEU 352 Ca -0.03 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.88 1dk4 h LEU 352 Cb 0.50 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.23 1dk4 h LEU 352 CO 0.05 0.00 -0.20 0.50 -1.08 0.00 0.00 178.44 177.71 1dk4 h LYS 353 N 0.00 0.00 0.00 1.13 3.64 -0.59 -2.17 116.57 118.58 1dk4 h LYS 353 Ca 0.00 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.18 1dk4 h LYS 353 Cb 0.03 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 1dk4 h LYS 353 CO 0.00 0.20 -1.37 0.66 -2.27 0.00 0.00 179.45 176.67 1dk4 n TYR 354 N -3.51 0.55 0.29 1.91 4.02 -0.61 -4.46 117.16 115.35 1dk4 n TYR 354 Ca -0.01 0.24 0.10 0.00 -0.01 0.00 0.00 57.90 58.23 1dk4 n TYR 354 Cb 0.36 -0.89 0.48 0.00 -0.02 0.00 0.00 39.34 39.27 1dk4 n TYR 354 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1dk4 n LEU 355 N -4.43 0.53 0.09 7.72 4.77 -1.07 -2.76 117.00 121.85 1dk4 n LEU 355 Ca -0.29 0.68 -0.13 0.00 -0.03 0.00 0.00 56.01 56.24 1dk4 n LEU 355 Cb 0.61 -0.66 -0.09 0.00 -2.33 0.00 0.00 43.42 40.95 1dk4 n LEU 355 CO 0.13 -0.68 0.08 0.50 -1.33 0.00 0.00 177.39 176.10 1dk4 h LYS 356 N 0.00 0.28 -0.93 3.23 3.64 -1.61 -2.96 116.57 118.22 1dk4 h LYS 356 Ca 0.00 -0.38 0.14 0.00 -1.27 0.00 0.00 60.65 59.14 1dk4 h LYS 356 Cb 0.20 0.13 -0.08 0.00 -0.41 0.00 0.00 32.23 32.07 1dk4 h LYS 356 CO 0.00 1.12 0.60 1.03 -2.27 0.00 0.00 179.45 179.93 1dk4 h SER 357 N 0.12 0.74 -3.65 4.20 0.87 -1.76 -3.41 113.55 110.66 1dk4 h SER 357 Ca -0.09 0.05 -0.51 0.00 -1.23 0.00 0.00 61.79 60.01 1dk4 h SER 357 Cb 1.76 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 63.60 1dk4 h SER 357 CO 0.18 0.37 0.14 -0.76 -0.53 0.00 0.00 176.83 176.22 1dk4 s LEU 358 N -9.96 4.28 -1.15 2.23 1.43 -1.12 -5.01 118.68 109.38 1dk4 s LEU 358 Ca -0.11 1.45 -0.10 0.00 -1.03 0.00 0.00 54.13 54.34 1dk4 s LEU 358 Cb 0.22 -3.76 0.25 0.00 0.03 0.00 0.00 46.19 42.93 1dk4 s LEU 358 CO 0.80 -0.04 1.27 0.59 0.23 0.00 0.00 176.35 179.20 1dk4 n ASN 359 N 0.45 5.50 -2.72 2.29 4.13 -1.26 -4.94 115.26 118.72 1dk4 n ASN 359 Ca -0.00 -3.06 -0.15 0.00 1.68 0.00 0.00 54.58 53.05 1dk4 n ASN 359 Cb 0.51 -1.43 -0.05 0.00 -1.54 0.00 0.00 39.78 37.27 1dk4 n ASN 359 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1dk4 n VAL 360 N 3.13 0.00 -3.04 2.41 0.24 -1.26 -4.69 118.33 115.11 1dk4 n VAL 360 Ca 0.28 -1.68 -0.36 0.00 -2.04 0.00 0.00 64.34 60.55 1dk4 n VAL 360 Cb 0.39 0.77 -0.06 0.00 -1.47 0.00 0.00 33.84 33.47 1dk4 n VAL 360 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1dk4 s ASN 361 N -2.65 7.06 -0.10 -1.34 0.01 0.97 -4.12 114.94 114.77 1dk4 s ASN 361 Ca 0.24 1.48 0.01 0.00 -0.71 0.00 0.00 52.86 53.87 1dk4 s ASN 361 Cb 0.01 -2.44 0.02 0.00 0.41 0.00 0.00 41.25 39.25 1dk4 s ASN 361 CO 0.17 -0.04 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.99 1dk4 s ILE 362 N -1.64 1.15 -0.44 0.60 1.01 -0.09 -0.44 121.20 121.34 1dk4 s ILE 362 Ca 0.47 -0.41 0.03 0.00 0.00 0.00 0.00 60.65 60.74 1dk4 s ILE 362 Cb -0.16 -1.11 0.12 0.00 0.01 0.00 0.00 42.46 41.33 1dk4 s ILE 362 CO 0.20 0.38 0.20 -0.69 0.00 0.00 0.00 174.94 175.04 1dk4 s VAL 363 N 1.33 1.97 0.04 2.92 1.01 0.12 -1.33 120.40 126.46 1dk4 s VAL 363 Ca -0.02 -2.72 0.07 0.00 0.00 0.00 0.00 61.98 59.31 1dk4 s VAL 363 Cb -0.14 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 1dk4 s VAL 363 CO -0.05 -0.79 -0.19 -0.94 0.00 0.00 0.00 175.10 173.14 1dk4 s SER 364 N 0.30 2.24 0.15 3.32 1.04 -0.78 -1.34 113.70 118.62 1dk4 s SER 364 Ca 0.16 -0.51 -0.30 0.00 0.48 0.00 0.00 55.95 55.77 1dk4 s SER 364 Cb -0.24 -0.17 -0.06 0.00 0.10 0.00 0.00 66.02 65.65 1dk4 s SER 364 CO -0.03 0.12 1.55 -0.08 0.98 0.00 0.00 173.24 175.77 1dk4 h GLU 365 N 4.85 -0.23 0.11 4.02 4.81 -1.84 1.06 114.58 127.37 1dk4 h GLU 365 Ca -0.41 0.02 -0.27 0.00 -0.13 0.00 0.00 59.36 58.56 1dk4 h GLU 365 Cb 1.17 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.60 1dk4 h GLU 365 CO 0.44 -0.15 -1.25 0.93 -0.73 0.00 0.00 179.01 178.25 1dk4 h GLU 366 N -0.24 0.24 0.09 1.92 4.39 -1.97 -3.34 114.58 115.68 1dk4 h GLU 366 Ca 0.13 -0.41 -0.25 0.00 0.34 0.00 0.00 59.36 59.17 1dk4 h GLU 366 Cb 0.54 0.15 0.02 0.00 -0.10 0.00 0.00 28.75 29.36 1dk4 h GLU 366 CO -0.73 1.19 -1.03 1.25 -1.16 0.00 0.00 179.01 178.53 1dk4 h LEU 367 N 0.07 0.74 0.00 1.33 6.46 -1.92 -3.40 115.31 118.58 1dk4 h LEU 367 Ca -0.13 -0.83 0.00 0.00 -0.12 0.00 0.00 57.88 56.80 1dk4 h LEU 367 Cb 1.96 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 41.65 1dk4 h LEU 367 CO 0.19 1.49 0.00 0.61 -0.62 0.00 0.00 178.44 180.12 1dk4 n GLY 368 N 1.35 0.90 2.90 3.75 0.00 0.36 -4.82 105.19 109.63 1dk4 n GLY 368 Ca -0.13 -1.51 -0.31 0.00 0.00 0.00 0.00 46.02 44.07 1dk4 n GLY 368 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1dk4 n VAL 369 N 0.00 2.36 -1.89 1.61 0.31 -1.26 -1.87 118.33 117.59 1dk4 n VAL 369 Ca 0.00 -5.05 -0.43 0.00 -0.01 0.00 0.00 64.34 58.85 1dk4 n VAL 369 Cb 0.00 -2.23 -0.03 0.00 -0.91 0.00 0.00 33.84 30.67 1dk4 n VAL 369 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1dk4 s ILE 370 N -1.66 3.37 -0.10 2.52 1.01 -0.44 -4.94 121.20 120.97 1dk4 s ILE 370 Ca 0.28 0.43 0.03 0.00 0.00 0.00 0.00 60.65 61.40 1dk4 s ILE 370 Cb -0.02 -3.35 -0.01 0.00 0.01 0.00 0.00 42.46 39.09 1dk4 s ILE 370 CO -0.12 -0.11 -0.20 -0.62 0.00 0.00 0.00 174.94 173.89 1dk4 s ASP 371 N 4.77 3.49 -0.14 3.58 -1.08 -1.26 -0.91 116.67 125.12 1dk4 s ASP 371 Ca 0.81 -0.44 0.15 0.00 -0.52 0.00 0.00 52.55 52.55 1dk4 s ASP 371 Cb -0.33 -1.32 0.35 0.00 -1.46 0.00 0.00 42.92 40.16 1dk4 s ASP 371 CO 0.33 0.20 1.17 0.59 0.52 0.00 0.00 175.17 177.98 1dk4 n ASN 372 N 3.30 1.61 0.00 -0.34 5.03 -1.26 -4.99 115.26 118.62 1dk4 n ASN 372 Ca -0.18 -3.20 0.00 0.00 0.87 0.00 0.00 54.58 52.06 1dk4 n ASN 372 Cb 0.53 -0.44 0.00 0.00 -1.02 0.00 0.00 39.78 38.85 1dk4 n ASN 372 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1dk4 n SER 373 N -0.84 0.00 -4.55 6.41 7.64 -1.26 -4.82 113.62 116.20 1dk4 n SER 373 Ca 0.14 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.74 1dk4 n SER 373 Cb 0.75 -1.59 0.23 0.00 -1.01 0.00 0.00 64.21 62.59 1dk4 n SER 373 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1dk4 s SER 374 N -2.32 1.54 -0.14 6.43 0.15 -1.26 -4.91 113.70 113.18 1dk4 s SER 374 Ca 0.00 1.56 0.16 0.00 0.70 0.00 0.00 55.95 58.37 1dk4 s SER 374 Cb 0.00 -2.28 0.70 0.00 -1.71 0.00 0.00 66.02 62.74 1dk4 s SER 374 CO 0.00 -3.86 1.60 -0.62 1.20 0.00 0.00 173.24 171.56 1dk4 n GLU 375 N -4.69 3.86 -3.96 5.44 1.02 -1.26 -4.72 120.64 116.33 1dk4 n GLU 375 Ca 0.05 -2.75 -0.31 0.00 -0.02 0.00 0.00 57.16 54.12 1dk4 n GLU 375 Cb 0.54 -1.96 -0.14 0.00 -0.02 0.00 0.00 31.44 29.86 1dk4 n GLU 375 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1dk4 s TRP 376 N -2.05 3.44 0.09 -0.32 0.52 -1.26 -1.18 118.94 118.19 1dk4 s TRP 376 Ca 0.49 -3.06 -0.16 0.00 0.02 0.00 0.00 56.10 53.39 1dk4 s TRP 376 Cb 0.33 -2.90 -0.07 0.00 -1.15 0.00 0.00 33.47 29.68 1dk4 s TRP 376 CO 0.21 -0.84 0.52 0.99 0.02 0.00 0.00 176.95 177.85 1dk4 s THR 377 N 0.25 4.86 -0.20 2.01 2.01 -1.10 -0.02 115.64 123.45 1dk4 s THR 377 Ca 0.14 0.95 0.01 0.00 0.31 0.00 0.00 61.69 63.11 1dk4 s THR 377 Cb -0.23 -3.79 0.03 0.00 0.01 0.00 0.00 72.50 68.53 1dk4 s THR 377 CO -0.04 0.42 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.45 1dk4 s VAL 378 N -1.26 2.06 -0.15 3.82 1.01 0.41 -3.06 120.40 123.23 1dk4 s VAL 378 Ca 0.32 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1dk4 s VAL 378 Cb -0.17 -1.94 -0.00 0.00 0.00 0.00 0.00 36.38 34.27 1dk4 s VAL 378 CO 0.18 0.40 -0.15 -0.69 0.00 0.00 0.00 175.10 174.84 1dk4 s VAL 379 N 1.26 2.67 -0.01 2.92 1.01 0.70 0.13 120.40 129.08 1dk4 s VAL 379 Ca 0.02 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.23 1dk4 s VAL 379 Cb -0.15 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.12 1dk4 s VAL 379 CO -0.11 0.52 -0.02 0.27 0.00 0.00 0.00 175.10 175.76 1dk4 s ILE 380 N 0.76 0.18 -0.43 2.22 -4.36 -0.45 -0.43 121.20 118.70 1dk4 s ILE 380 Ca -0.06 -0.07 -0.12 0.00 -0.26 0.00 0.00 60.65 60.14 1dk4 s ILE 380 Cb -0.15 -0.18 0.06 0.00 1.25 0.00 0.00 42.46 43.43 1dk4 s ILE 380 CO 0.01 0.07 0.30 -0.62 0.24 0.00 0.00 174.94 174.93 1dk4 s ASP 381 N 0.14 5.87 0.23 4.36 3.68 -0.65 -3.32 116.67 126.98 1dk4 s ASP 381 Ca -0.01 -1.28 -0.06 0.00 2.13 0.00 0.00 52.55 53.33 1dk4 s ASP 381 Cb -0.03 -2.08 0.33 0.00 -1.45 0.00 0.00 42.92 39.69 1dk4 s ASP 381 CO -0.00 -0.53 1.81 -0.65 0.13 0.00 0.00 175.17 175.93 1dk4 h PRO 382 N 8.55 0.75 -3.14 4.34 0.11 -1.90 -2.43 132.00 138.29 1dk4 h PRO 382 Ca -0.26 -0.04 -0.33 0.00 0.11 0.00 0.00 66.00 65.48 1dk4 h PRO 382 Cb 1.10 -0.17 -0.37 0.00 0.11 0.00 0.00 31.00 31.67 1dk4 h PRO 382 CO 0.78 0.49 -0.68 0.42 -0.21 0.00 0.00 178.00 178.80 1dk4 s ILE 383 N -6.06 -0.20 -0.61 4.15 1.09 -1.26 -4.62 121.20 113.69 1dk4 s ILE 383 Ca -0.13 0.33 -0.23 0.00 -1.10 0.00 0.00 60.65 59.53 1dk4 s ILE 383 Cb 0.18 -0.28 0.06 0.00 -1.06 0.00 0.00 42.46 41.36 1dk4 s ILE 383 CO 0.77 0.12 0.95 -0.62 -0.10 0.00 0.00 174.94 176.06 1dk4 s ASP 384 N 2.24 6.24 0.00 3.58 2.15 0.99 -3.99 116.67 127.89 1dk4 s ASP 384 Ca 0.04 -0.70 0.00 0.00 0.43 0.00 0.00 52.55 52.32 1dk4 s ASP 384 Cb -0.12 -2.42 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 1dk4 s ASP 384 CO -0.05 -1.33 0.00 0.61 -0.17 0.00 0.00 175.17 174.22 1dk4 n GLY 385 N 5.23 0.70 0.35 2.66 0.00 -1.26 -3.08 105.19 109.79 1dk4 n GLY 385 Ca -0.01 -0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.08 1dk4 n GLY 385 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1dk4 n SER 386 N 0.00 -0.24 0.00 1.61 7.64 -1.26 -1.89 113.62 119.49 1dk4 n SER 386 Ca 0.00 1.70 0.00 0.00 1.01 0.00 0.00 58.87 61.58 1dk4 n SER 386 Cb 0.00 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.64 1dk4 n SER 386 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1dk4 n PHE 387 N -5.55 0.00 -0.29 1.43 -0.00 -1.26 -0.83 117.46 110.96 1dk4 n PHE 387 Ca 0.20 0.00 0.07 0.00 -0.00 0.00 0.00 57.45 57.72 1dk4 n PHE 387 Cb 0.63 -0.05 0.15 0.00 -0.00 0.00 0.00 39.48 40.21 1dk4 n PHE 387 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 1dk4 n ASN 388 N -0.90 -0.23 0.18 -2.13 4.13 -1.14 -0.60 115.26 114.56 1dk4 n ASN 388 Ca 0.00 1.39 -0.12 0.00 1.68 0.00 0.00 54.58 57.52 1dk4 n ASN 388 Cb 0.00 -0.45 -0.07 0.00 -1.54 0.00 0.00 39.78 37.72 1dk4 n ASN 388 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 1dk4 h PHE 389 N 0.00 -1.00 0.00 3.10 3.57 -1.06 0.74 116.94 122.30 1dk4 h PHE 389 Ca 0.42 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.93 1dk4 h PHE 389 Cb 0.73 0.40 0.00 0.00 2.79 0.00 0.00 35.95 39.86 1dk4 h PHE 389 CO -0.55 -0.46 0.00 0.97 -2.23 0.00 0.00 178.31 176.04 1dk4 h ILE 390 N -0.67 0.00 -0.59 1.41 6.09 0.70 -1.20 117.51 123.25 1dk4 h ILE 390 Ca -0.04 -0.42 0.00 0.00 -1.37 0.00 0.00 64.86 63.03 1dk4 h ILE 390 Cb 0.59 1.31 0.00 0.00 0.47 0.00 0.00 36.82 39.19 1dk4 h ILE 390 CO -0.07 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.60 1dk4 n ASN 391 N -2.66 5.63 -1.40 2.19 4.13 0.23 -3.39 115.26 119.99 1dk4 n ASN 391 Ca 0.02 -2.87 -0.12 0.00 1.68 0.00 0.00 54.58 53.29 1dk4 n ASN 391 Cb 0.30 -0.67 -0.00 0.00 -1.54 0.00 0.00 39.78 37.86 1dk4 n ASN 391 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1dk4 n GLY 392 N 0.70 -0.11 3.58 7.41 0.00 -0.49 -4.84 105.19 111.44 1dk4 n GLY 392 Ca 0.28 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 1dk4 n GLY 392 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dk4 s ILE 393 N -2.62 5.07 -0.30 -0.61 1.01 0.25 -4.96 121.20 119.04 1dk4 s ILE 393 Ca 0.02 0.50 -0.06 0.00 0.00 0.00 0.00 60.65 61.11 1dk4 s ILE 393 Cb -0.01 -3.86 -0.19 0.00 0.01 0.00 0.00 42.46 38.41 1dk4 s ILE 393 CO 0.02 -0.05 2.96 -0.81 0.00 0.00 0.00 174.94 177.06 1dk4 n PRO 394 N 5.58 1.95 -3.40 2.79 -0.04 -1.26 -3.96 135.00 136.66 1dk4 n PRO 394 Ca -0.06 -1.06 -0.27 0.00 -0.04 0.00 0.00 63.50 62.07 1dk4 n PRO 394 Cb 0.50 -2.08 -0.10 0.00 -0.04 0.00 0.00 33.50 31.78 1dk4 n PRO 394 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1dk4 s PHE 395 N 1.66 1.05 0.35 0.54 2.19 -1.26 -4.92 117.98 117.58 1dk4 s PHE 395 Ca 0.55 -2.25 0.08 0.00 0.33 0.00 0.00 56.93 55.64 1dk4 s PHE 395 Cb 0.24 -0.92 -0.03 0.00 -1.31 0.00 0.00 43.02 41.00 1dk4 s PHE 395 CO -0.01 -0.83 0.28 -0.59 1.83 0.00 0.00 175.22 175.90 1dk4 s PHE 396 N 0.17 1.80 -0.24 10.12 -0.12 -1.26 -4.67 117.98 123.78 1dk4 s PHE 396 Ca 0.31 -1.66 -0.32 0.00 -0.05 0.00 0.00 56.93 55.21 1dk4 s PHE 396 Cb 0.01 -0.76 0.16 0.00 -0.63 0.00 0.00 43.02 41.80 1dk4 s PHE 396 CO -0.18 -0.85 1.26 0.00 -0.05 0.00 0.00 175.22 175.41 1dk4 s ALA 397 N -3.38 -2.09 -0.02 1.99 0.00 -1.18 -4.39 121.76 112.70 1dk4 s ALA 397 Ca 0.39 1.77 -0.18 0.00 0.00 0.00 0.00 51.96 53.94 1dk4 s ALA 397 Cb 0.02 -0.89 -0.05 0.00 0.00 0.00 0.00 23.12 22.20 1dk4 s ALA 397 CO 0.28 -0.38 0.50 0.12 0.00 0.00 0.00 175.76 176.27 1dk4 s PHE 398 N -1.53 3.67 -0.19 0.00 5.36 0.49 -0.01 117.98 125.77 1dk4 s PHE 398 Ca 0.08 1.06 0.01 0.00 -0.96 0.00 0.00 56.93 57.12 1dk4 s PHE 398 Cb -0.01 -2.47 0.03 0.00 -0.34 0.00 0.00 43.02 40.23 1dk4 s PHE 398 CO -0.05 0.43 -0.16 0.00 -1.46 0.00 0.00 175.22 173.99 1dk4 s PHE 400 N 1.31 2.95 0.03 0.00 5.36 0.51 -1.64 117.98 126.51 1dk4 s PHE 400 Ca 0.01 -2.41 0.06 0.00 -0.96 0.00 0.00 56.93 53.64 1dk4 s PHE 400 Cb -0.15 -2.31 -0.03 0.00 -0.34 0.00 0.00 43.02 40.19 1dk4 s PHE 400 CO -0.10 -0.90 -0.17 0.20 -1.46 0.00 0.00 175.22 172.79 1dk4 s GLY 401 N 1.19 1.58 -0.03 13.12 0.00 0.43 0.19 107.32 123.79 1dk4 s GLY 401 Ca 0.07 -1.16 -0.01 0.00 0.00 0.00 0.00 44.72 43.62 1dk4 s GLY 401 CO -0.12 -1.04 0.06 0.54 0.00 0.00 0.00 173.10 172.54 1dk4 s VAL 402 N -0.91 -0.07 -0.03 1.40 0.11 0.24 -0.22 120.40 120.93 1dk4 s VAL 402 Ca 0.14 0.24 0.06 0.00 -2.93 0.00 0.00 61.98 59.49 1dk4 s VAL 402 Cb -0.11 -0.12 -0.01 0.00 -1.53 0.00 0.00 36.38 34.61 1dk4 s VAL 402 CO 0.05 0.10 -0.20 -0.36 -3.33 0.00 0.00 175.10 171.36 1dk4 s PHE 403 N 1.22 1.85 -0.20 1.54 0.40 -1.17 -0.47 117.98 121.15 1dk4 s PHE 403 Ca -0.07 -0.41 -0.07 0.00 -0.60 0.00 0.00 56.93 55.78 1dk4 s PHE 403 Cb -0.13 -1.21 -0.03 0.00 0.51 0.00 0.00 43.02 42.16 1dk4 s PHE 403 CO -0.04 -0.08 0.05 0.21 0.70 0.00 0.00 175.22 176.07 1dk4 s LYS 404 N -0.34 3.82 -1.30 0.44 2.20 0.18 -2.69 119.74 122.04 1dk4 s LYS 404 Ca 0.04 -0.42 -0.04 0.00 -0.36 0.00 0.00 55.97 55.20 1dk4 s LYS 404 Cb -0.09 -3.22 -0.00 0.00 -1.51 0.00 0.00 37.83 33.01 1dk4 s LYS 404 CO 0.00 0.10 0.62 0.09 -0.36 0.00 0.00 175.35 175.80 1dk4 n ASN 405 N 4.06 -1.71 -2.89 1.43 3.02 -0.32 -1.48 115.26 117.37 1dk4 n ASN 405 Ca -0.16 -0.91 -0.21 0.00 -0.03 0.00 0.00 54.58 53.26 1dk4 n ASN 405 Cb 0.52 -3.63 0.02 0.00 -0.61 0.00 0.00 39.78 36.07 1dk4 n ASN 405 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1dk4 n ASN 406 N -2.97 -5.49 -3.80 6.41 5.15 -1.26 -4.97 115.26 108.32 1dk4 n ASN 406 Ca -0.26 -0.20 -0.13 0.00 -0.60 0.00 0.00 54.58 53.39 1dk4 n ASN 406 Cb 0.67 -4.49 -0.14 0.00 -0.53 0.00 0.00 39.78 35.29 1dk4 n ASN 406 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1dk4 s GLU 407 N -5.55 0.10 0.20 1.20 0.41 -0.55 -5.08 118.70 109.44 1dk4 s GLU 407 Ca 0.23 0.22 -0.31 0.00 -0.41 0.00 0.00 54.97 54.70 1dk4 s GLU 407 Cb -0.11 -0.03 -0.16 0.00 -1.78 0.00 0.00 34.13 32.05 1dk4 s GLU 407 CO 0.28 -0.07 0.96 -0.35 -0.49 0.00 0.00 175.26 175.59 1dk4 n PRO 408 N 3.46 0.88 0.00 0.39 -0.04 -1.26 0.49 135.00 138.92 1dk4 n PRO 408 Ca -0.18 0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1dk4 n PRO 408 Cb 0.56 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 1dk4 n PRO 408 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1dk4 n TYR 409 N 0.75 0.00 -4.43 0.54 9.36 0.38 -4.67 117.16 119.10 1dk4 n TYR 409 Ca 0.14 0.00 -0.22 0.00 3.32 0.00 0.00 57.90 61.14 1dk4 n TYR 409 Cb 0.26 0.20 -0.16 0.00 -0.63 0.00 0.00 39.34 39.01 1dk4 n TYR 409 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 1dk4 s TYR 410 N -0.78 1.11 -0.06 2.98 6.14 -0.43 -0.63 117.35 125.69 1dk4 s TYR 410 Ca 0.00 -0.35 0.04 0.00 0.64 0.00 0.00 57.07 57.41 1dk4 s TYR 410 Cb 0.00 -0.84 -0.00 0.00 0.42 0.00 0.00 41.96 41.54 1dk4 s TYR 410 CO 0.00 -0.19 -0.19 0.20 0.64 0.00 0.00 175.55 176.01 1dk4 s GLY 411 N 0.53 1.03 0.03 8.97 0.00 -0.62 0.80 107.32 118.07 1dk4 s GLY 411 Ca -0.10 -0.77 0.05 0.00 0.00 0.00 0.00 44.72 43.91 1dk4 s GLY 411 CO 0.02 -0.36 -0.15 -2.27 0.00 0.00 0.00 173.10 170.34 1dk4 s LEU 412 N 0.10 2.13 -0.23 0.66 2.96 0.50 -1.72 118.68 123.08 1dk4 s LEU 412 Ca -0.07 -0.40 -0.04 0.00 -0.22 0.00 0.00 54.13 53.40 1dk4 s LEU 412 Cb -0.13 -0.66 0.08 0.00 0.50 0.00 0.00 46.19 45.97 1dk4 s LEU 412 CO 0.03 0.08 0.10 -0.89 -1.32 0.00 0.00 176.35 174.36 1dk4 s THR 413 N -0.70 0.08 -0.19 3.68 2.01 0.31 -0.36 115.64 120.48 1dk4 s THR 413 Ca 0.03 -0.56 -0.15 0.00 0.31 0.00 0.00 61.69 61.32 1dk4 s THR 413 Cb -0.07 -0.89 -0.04 0.00 0.01 0.00 0.00 72.50 71.51 1dk4 s THR 413 CO 0.01 -0.49 0.37 -0.47 -0.69 0.00 0.00 174.62 173.35 1dk4 s TYR 414 N 2.04 3.40 -0.39 4.92 6.04 0.10 -0.90 117.35 132.57 1dk4 s TYR 414 Ca 0.05 0.62 -0.06 0.00 0.04 0.00 0.00 57.07 57.72 1dk4 s TYR 414 Cb -0.16 -2.47 0.08 0.00 -1.04 0.00 0.00 41.96 38.37 1dk4 s TYR 414 CO -0.22 0.07 0.19 -2.00 -1.54 0.00 0.00 175.55 172.05 1dk4 s GLU 415 N 1.03 2.39 0.14 4.97 2.12 -1.05 0.18 118.70 128.48 1dk4 s GLU 415 Ca 0.19 -1.52 -0.15 0.00 0.36 0.00 0.00 54.97 53.84 1dk4 s GLU 415 Cb -0.14 -3.59 0.00 0.00 0.26 0.00 0.00 34.13 30.66 1dk4 s GLU 415 CO 0.07 -0.91 1.68 0.74 -0.54 0.00 0.00 175.26 176.30 1dk4 h PHE 416 N 8.21 0.65 0.07 5.30 -1.00 -1.85 -0.95 116.94 127.36 1dk4 h PHE 416 Ca -0.19 -0.05 0.02 0.00 2.81 0.00 0.00 57.97 60.56 1dk4 h PHE 416 Cb 1.07 -0.19 -0.04 0.00 3.61 0.00 0.00 35.95 40.40 1dk4 h PHE 416 CO 0.59 0.57 -0.25 -0.07 -1.61 0.00 0.00 178.31 177.54 1dk4 h LEU 417 N 0.53 -0.73 -0.10 1.54 -0.00 -1.91 -1.19 115.31 113.45 1dk4 h LEU 417 Ca 0.14 0.09 0.00 0.00 -0.00 0.00 0.00 57.88 58.11 1dk4 h LEU 417 Cb 0.21 0.29 0.00 0.00 -0.00 0.00 0.00 40.66 41.16 1dk4 h LEU 417 CO -0.01 -0.33 0.00 0.41 -0.00 0.00 0.00 178.44 178.51 1dk4 n THR 418 N -5.37 0.48 -1.01 0.22 -1.04 -1.22 -4.90 114.28 101.44 1dk4 n THR 418 Ca -0.06 0.02 -0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1dk4 n THR 418 Cb 0.28 -0.73 -0.00 0.00 -1.82 0.00 0.00 70.33 68.07 1dk4 n THR 418 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1dk4 n LYS 419 N -1.78 -1.49 -2.52 -2.82 4.76 -0.37 -4.96 118.16 108.97 1dk4 n LYS 419 Ca 0.05 0.39 -0.40 0.00 -2.87 0.00 0.00 58.31 55.48 1dk4 n LYS 419 Cb 0.31 -4.52 -0.05 0.00 -1.84 0.00 0.00 35.03 28.93 1dk4 n LYS 419 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1dk4 s SER 420 N -2.02 7.33 -0.41 4.39 0.01 -1.16 -4.96 113.70 116.87 1dk4 s SER 420 Ca 0.00 2.22 -0.08 0.00 1.31 0.00 0.00 55.95 59.40 1dk4 s SER 420 Cb 0.00 -2.62 0.08 0.00 0.21 0.00 0.00 66.02 63.69 1dk4 s SER 420 CO 0.00 -0.10 0.24 -0.36 0.41 0.00 0.00 173.24 173.43 1dk4 s PHE 421 N -1.12 3.37 -0.35 2.43 2.99 -1.26 -2.52 117.98 121.52 1dk4 s PHE 421 Ca 0.44 -1.71 -0.14 0.00 0.00 0.00 0.00 56.93 55.52 1dk4 s PHE 421 Cb -0.31 -2.96 -0.01 0.00 0.00 0.00 0.00 43.02 39.74 1dk4 s PHE 421 CO 0.39 -0.87 0.31 0.71 -0.00 0.00 0.00 175.22 175.77 1dk4 s TYR 422 N 1.37 3.22 0.08 0.36 1.51 -0.08 -2.93 117.35 120.88 1dk4 s TYR 422 Ca 0.03 -0.15 0.00 0.00 -1.01 0.00 0.00 57.07 55.95 1dk4 s TYR 422 Cb -0.23 -2.60 -0.04 0.00 -0.11 0.00 0.00 41.96 38.98 1dk4 s TYR 422 CO 0.01 -0.42 -0.04 -1.83 -1.11 0.00 0.00 175.55 172.15 1dk4 s GLU 423 N 1.88 0.75 -0.28 -0.62 -1.05 -1.18 0.11 118.70 118.32 1dk4 s GLU 423 Ca 0.09 -1.30 -0.23 0.00 -0.15 0.00 0.00 54.97 53.38 1dk4 s GLU 423 Cb -0.17 0.01 0.09 0.00 -0.44 0.00 0.00 34.13 33.61 1dk4 s GLU 423 CO 0.11 -0.08 0.79 0.00 0.95 0.00 0.00 175.26 177.03 1dk4 s ALA 424 N -3.79 -1.86 0.18 -0.84 0.00 -0.70 -2.34 121.76 112.42 1dk4 s ALA 424 Ca 0.11 2.08 0.04 0.00 0.00 0.00 0.00 51.96 54.19 1dk4 s ALA 424 Cb 0.07 -1.30 -0.04 0.00 0.00 0.00 0.00 23.12 21.85 1dk4 s ALA 424 CO -0.06 -0.33 0.24 0.71 0.00 0.00 0.00 175.76 176.32 1dk4 s TYR 425 N 0.62 3.32 -0.02 0.00 2.02 -1.24 -1.58 117.35 120.48 1dk4 s TYR 425 Ca -0.02 0.02 -0.30 0.00 -0.37 0.00 0.00 57.07 56.40 1dk4 s TYR 425 Cb -0.05 -1.57 -0.05 0.00 -0.40 0.00 0.00 41.96 39.89 1dk4 s TYR 425 CO -0.05 0.50 1.44 0.21 -1.57 0.00 0.00 175.55 176.08 1dk4 s LYS 426 N -3.40 4.26 0.00 -0.62 2.20 0.20 -2.78 119.74 119.60 1dk4 s LYS 426 Ca 0.33 1.99 0.00 0.00 -0.36 0.00 0.00 55.97 57.93 1dk4 s LYS 426 Cb -0.10 -3.65 0.00 0.00 -1.51 0.00 0.00 37.83 32.57 1dk4 s LYS 426 CO 0.26 -0.64 0.00 0.41 -0.36 0.00 0.00 175.35 175.03 1dk4 n GLY 427 N 3.73 3.01 0.02 5.54 0.00 -1.26 -4.83 105.19 111.40 1dk4 n GLY 427 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1dk4 n GLY 427 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1dk4 n LYS 428 N -2.00 0.09 0.00 1.61 0.00 -1.12 -5.05 118.16 111.70 1dk4 n LYS 428 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 58.31 58.35 1dk4 n LYS 428 Cb 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 35.03 33.46 1dk4 n LYS 428 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1dk4 n GLY 429 N 1.45 2.55 3.25 3.14 0.00 -1.24 -4.91 105.19 109.41 1dk4 n GLY 429 Ca 0.05 -1.93 -0.33 0.00 0.00 0.00 0.00 46.02 43.81 1dk4 n GLY 429 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dk4 s ALA 430 N -2.95 2.38 0.36 4.61 0.00 -1.11 -3.59 121.76 121.46 1dk4 s ALA 430 Ca 0.00 -1.01 0.04 0.00 0.00 0.00 0.00 51.96 50.98 1dk4 s ALA 430 Cb 0.00 -1.07 -0.06 0.00 0.00 0.00 0.00 23.12 22.00 1dk4 s ALA 430 CO 0.00 0.09 0.06 0.71 0.00 0.00 0.00 175.76 176.62 1dk4 s TYR 431 N 0.63 1.98 -0.32 0.00 2.02 -0.99 -1.15 117.35 119.52 1dk4 s TYR 431 Ca -0.10 -0.99 0.02 0.00 -0.37 0.00 0.00 57.07 55.64 1dk4 s TYR 431 Cb -0.16 -1.33 0.10 0.00 -0.40 0.00 0.00 41.96 40.17 1dk4 s TYR 431 CO 0.03 0.01 0.05 -1.17 -1.57 0.00 0.00 175.55 172.90 1dk4 s LEU 432 N -3.55 3.79 -1.35 -1.29 2.96 -0.14 -3.08 118.68 116.02 1dk4 s LEU 432 Ca 0.33 -1.91 -0.00 0.00 -0.22 0.00 0.00 54.13 52.32 1dk4 s LEU 432 Cb 0.07 -1.36 -0.00 0.00 0.50 0.00 0.00 46.19 45.41 1dk4 s LEU 432 CO 0.15 -0.38 0.57 0.59 -1.32 0.00 0.00 176.35 175.96 1dk4 n ASN 433 N 4.47 -0.84 0.00 3.68 3.02 -1.15 -2.98 115.26 121.47 1dk4 n ASN 433 Ca 0.00 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 1dk4 n ASN 433 Cb 0.42 -3.59 0.00 0.00 -0.61 0.00 0.00 39.78 36.00 1dk4 n ASN 433 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dk4 n GLY 434 N -1.76 1.99 3.61 7.41 0.00 -1.26 -5.00 105.19 110.18 1dk4 n GLY 434 Ca -0.30 -0.52 -0.56 0.00 0.00 0.00 0.00 46.02 44.64 1dk4 n GLY 434 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1dk4 n ARG 435 N 0.00 1.05 -1.54 1.61 0.00 -1.16 -4.70 116.66 111.92 1dk4 n ARG 435 Ca 0.00 0.36 -0.48 0.00 -0.00 0.00 0.00 57.85 57.74 1dk4 n ARG 435 Cb 0.00 -2.14 -0.05 0.00 0.00 0.00 0.00 32.46 30.27 1dk4 n ARG 435 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1dk4 n LYS 436 N 6.24 1.57 -3.82 -0.14 4.81 -1.26 -0.97 118.16 124.59 1dk4 n LYS 436 Ca 0.32 0.46 -0.35 0.00 -0.87 0.00 0.00 58.31 57.87 1dk4 n LYS 436 Cb 0.14 -2.77 -0.05 0.00 0.02 0.00 0.00 35.03 32.37 1dk4 n LYS 436 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 1dk4 s ILE 437 N 7.14 5.37 0.02 3.15 -5.25 -0.30 -4.88 121.20 126.45 1dk4 s ILE 437 Ca 1.04 0.11 -0.03 0.00 -0.99 0.00 0.00 60.65 60.78 1dk4 s ILE 437 Cb -0.65 -3.53 -0.02 0.00 2.95 0.00 0.00 42.46 41.22 1dk4 s ILE 437 CO 0.45 0.41 0.03 -0.75 -1.79 0.00 0.00 174.94 173.29 1dk4 s LYS 438 N -1.64 0.43 0.50 0.37 2.20 -1.26 -4.48 119.74 115.86 1dk4 s LYS 438 Ca 0.25 -0.65 -0.06 0.00 -0.36 0.00 0.00 55.97 55.15 1dk4 s LYS 438 Cb -0.13 0.16 0.10 0.00 -1.51 0.00 0.00 37.83 36.46 1dk4 s LYS 438 CO 0.14 -0.09 0.23 1.33 -0.36 0.00 0.00 175.35 176.60 1dk4 n VAL 439 N 1.26 0.00 0.00 4.02 0.24 -0.78 -3.96 118.33 119.11 1dk4 n VAL 439 Ca -0.22 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 1dk4 n VAL 439 Cb 0.56 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.67 1dk4 n VAL 439 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1dk4 n LYS 440 N -1.44 0.00 0.00 7.34 4.81 -1.26 -4.70 118.16 122.91 1dk4 n LYS 440 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 1dk4 n LYS 440 Cb 0.16 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.21 1dk4 n LYS 440 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1dk4 n ASP 441 N 0.00 0.00 -4.62 3.14 3.85 -1.26 -5.10 116.55 112.55 1dk4 n ASP 441 Ca 0.00 0.00 -0.46 0.00 -0.71 0.00 0.00 54.79 53.62 1dk4 n ASP 441 Cb 0.00 0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 39.74 1dk4 n ASP 441 CO 0.00 0.00 0.00 0.33 -1.01 0.00 0.00 177.20 176.52 1dk4 n PHE 442 N 0.00 1.67 -4.03 2.11 -0.00 -1.26 -5.00 117.46 110.95 1dk4 n PHE 442 Ca 0.00 0.58 -0.26 0.00 -0.00 0.00 0.00 57.45 57.77 1dk4 n PHE 442 Cb 0.00 -2.35 -0.17 0.00 -0.00 0.00 0.00 39.48 36.96 1dk4 n PHE 442 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 1dk4 s ASN 443 N -0.01 2.05 0.49 -2.13 3.84 -1.26 -5.05 114.94 112.88 1dk4 s ASN 443 Ca 0.68 -0.29 0.26 0.00 0.21 0.00 0.00 52.86 53.71 1dk4 s ASN 443 Cb -0.73 -0.81 1.27 0.00 -0.55 0.00 0.00 41.25 40.42 1dk4 s ASN 443 CO 0.53 -0.09 1.99 1.55 -2.79 0.00 0.00 177.10 178.29 1dk4 h PRO 444 N 7.94 0.00 0.00 0.43 0.13 -1.99 -3.33 132.00 135.18 1dk4 h PRO 444 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1dk4 h PRO 444 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1dk4 h PRO 444 CO 0.42 0.16 -0.09 0.09 -0.23 0.00 0.00 178.00 178.35 1dk4 n ASN 445 N -3.59 0.28 -2.00 1.44 5.03 -1.26 -4.62 115.26 110.53 1dk4 n ASN 445 Ca -0.01 0.25 -0.00 0.00 0.87 0.00 0.00 54.58 55.68 1dk4 n ASN 445 Cb 0.30 -0.55 -0.00 0.00 -1.02 0.00 0.00 39.78 38.51 1dk4 n ASN 445 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1dk4 n ASN 446 N -2.65 0.34 -4.69 6.41 5.15 -1.25 -3.69 115.26 114.88 1dk4 n ASN 446 Ca -0.01 -1.12 -0.42 0.00 -0.60 0.00 0.00 54.58 52.42 1dk4 n ASN 446 Cb 0.05 -0.07 -0.03 0.00 -0.53 0.00 0.00 39.78 39.20 1dk4 n ASN 446 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1dk4 s ILE 447 N 1.94 3.92 -0.62 -1.44 1.09 -1.25 -4.83 121.20 120.01 1dk4 s ILE 447 Ca 0.00 1.30 0.06 0.00 -1.10 0.00 0.00 60.65 60.91 1dk4 s ILE 447 Cb 0.00 -3.84 0.21 0.00 -1.06 0.00 0.00 42.46 37.78 1dk4 s ILE 447 CO 0.00 0.02 0.59 0.52 -0.10 0.00 0.00 174.94 175.97 1dk4 n VAL 448 N 4.52 1.47 -2.79 2.92 0.31 -1.26 0.36 118.33 123.86 1dk4 n VAL 448 Ca 0.12 -4.81 -0.23 0.00 -0.01 0.00 0.00 64.34 59.41 1dk4 n VAL 448 Cb 0.45 -2.08 0.02 0.00 -0.91 0.00 0.00 33.84 31.32 1dk4 n VAL 448 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1dk4 s ILE 449 N -1.74 3.60 0.16 2.52 -4.36 -0.88 -2.23 121.20 118.27 1dk4 s ILE 449 Ca 0.33 -0.44 0.10 0.00 -0.26 0.00 0.00 60.65 60.38 1dk4 s ILE 449 Cb 0.07 -3.36 -0.04 0.00 1.25 0.00 0.00 42.46 40.38 1dk4 s ILE 449 CO -0.10 -0.27 -0.22 -0.55 0.24 0.00 0.00 174.94 174.03 1dk4 s SER 450 N -4.29 3.06 -0.02 4.36 0.15 -1.18 -2.41 113.70 113.38 1dk4 s SER 450 Ca 0.52 -0.82 -0.28 0.00 0.70 0.00 0.00 55.95 56.07 1dk4 s SER 450 Cb -0.10 -0.20 0.09 0.00 -1.71 0.00 0.00 66.02 64.10 1dk4 s SER 450 CO 0.39 0.08 0.78 -0.72 1.20 0.00 0.00 173.24 174.97 1dk4 s TYR 451 N -1.58 -0.49 -0.46 3.44 -0.85 -1.25 -3.20 117.35 112.96 1dk4 s TYR 451 Ca 0.16 0.62 0.03 0.00 -0.52 0.00 0.00 57.07 57.36 1dk4 s TYR 451 Cb -0.08 0.48 0.16 0.00 0.38 0.00 0.00 41.96 42.90 1dk4 s TYR 451 CO 0.07 -0.59 0.33 0.71 -1.52 0.00 0.00 175.55 174.56 1dk4 s TYR 452 N -2.22 1.57 0.60 -3.49 1.51 0.61 -4.93 117.35 111.00 1dk4 s TYR 452 Ca -0.02 -2.40 0.06 0.00 -1.01 0.00 0.00 57.07 53.69 1dk4 s TYR 452 Cb -0.01 -1.35 0.09 0.00 -0.11 0.00 0.00 41.96 40.58 1dk4 s TYR 452 CO -0.02 -0.77 0.82 -1.25 -1.11 0.00 0.00 175.55 173.22 1dk4 s PRO 453 N 0.00 2.19 0.26 -1.71 0.04 -1.26 -1.94 135.00 132.59 1dk4 s PRO 453 Ca 0.27 -1.40 0.05 0.00 0.04 0.00 0.00 61.00 59.96 1dk4 s PRO 453 Cb -0.06 -2.56 -0.03 0.00 0.04 0.00 0.00 34.50 31.90 1dk4 s PRO 453 CO -0.13 -0.96 0.39 -1.12 0.04 0.00 0.00 177.00 175.22 1dk4 s SER 454 N -4.64 6.27 0.16 6.66 0.01 -1.26 -4.62 113.70 116.28 1dk4 s SER 454 Ca 0.62 0.07 -0.29 0.00 1.31 0.00 0.00 55.95 57.67 1dk4 s SER 454 Cb -0.06 -1.80 -0.03 0.00 0.21 0.00 0.00 66.02 64.34 1dk4 s SER 454 CO 0.40 -0.14 1.55 0.50 0.41 0.00 0.00 173.24 175.96 1dk4 h LYS 455 N 1.09 -0.20 -1.04 12.44 3.64 -2.00 0.26 116.57 130.77 1dk4 h LYS 455 Ca -0.51 0.01 0.27 0.00 -1.27 0.00 0.00 60.65 59.16 1dk4 h LYS 455 Cb 1.23 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 33.02 1dk4 h LYS 455 CO 0.60 -0.13 0.69 -0.22 -2.27 0.00 0.00 179.45 178.12 1dk4 h LYS 456 N -0.20 0.28 -5.87 1.90 3.64 -1.96 -3.40 116.57 110.96 1dk4 h LYS 456 Ca 0.15 -0.02 -0.58 0.00 -1.27 0.00 0.00 60.65 58.93 1dk4 h LYS 456 Cb 0.53 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1dk4 h LYS 456 CO -0.75 0.18 1.52 -0.89 -2.27 0.00 0.00 179.45 177.24 1dk4 n ILE 457 N -4.50 0.19 -1.68 2.00 2.08 0.91 -4.87 119.36 113.49 1dk4 n ILE 457 Ca 0.24 -0.46 -0.45 0.00 0.56 0.00 0.00 62.75 62.63 1dk4 n ILE 457 Cb 0.93 -2.29 -0.04 0.00 -0.75 0.00 0.00 39.64 37.50 1dk4 n ILE 457 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1dk4 n ASP 458 N 12.07 3.42 -0.13 4.38 4.64 -1.25 -4.88 116.55 134.80 1dk4 n ASP 458 Ca 0.36 1.05 -0.20 0.00 -1.38 0.00 0.00 54.79 54.62 1dk4 n ASP 458 Cb 0.39 -1.46 -0.11 0.00 -1.04 0.00 0.00 41.12 38.90 1dk4 n ASP 458 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 1dk4 n LEU 459 N 4.32 2.79 0.00 -2.67 4.77 -1.26 -3.56 117.00 121.39 1dk4 n LEU 459 Ca 0.18 -0.05 0.02 0.00 -0.03 0.00 0.00 56.01 56.12 1dk4 n LEU 459 Cb 0.31 -0.87 0.35 0.00 -2.33 0.00 0.00 43.42 40.88 1dk4 n LEU 459 CO 0.65 0.86 1.03 -0.08 -1.33 0.00 0.00 177.39 178.52 1dk4 h GLU 460 N -0.17 0.52 0.14 3.23 4.22 -1.98 -1.58 114.58 118.95 1dk4 h GLU 460 Ca -0.59 -0.08 0.00 0.00 0.08 0.00 0.00 59.36 58.78 1dk4 h GLU 460 Cb 1.83 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.97 1dk4 h GLU 460 CO -0.15 0.47 -0.13 -0.22 -2.18 0.00 0.00 179.01 176.80 1dk4 h LYS 461 N 0.51 -0.28 0.42 1.92 3.64 -1.97 -2.14 116.57 118.67 1dk4 h LYS 461 Ca 0.12 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1dk4 h LYS 461 Cb 0.17 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1dk4 h LYS 461 CO -0.01 -0.19 -0.21 1.25 -2.27 0.00 0.00 179.45 178.02 1dk4 h LEU 462 N -0.29 -0.50 -0.53 5.20 5.85 -1.51 -2.53 115.31 120.99 1dk4 h LEU 462 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1dk4 h LEU 462 Cb 0.28 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1dk4 h LEU 462 CO -0.03 -0.35 0.00 0.54 -0.34 0.00 0.00 178.44 178.26 1dk4 n ARG 463 N -5.34 0.07 0.16 1.25 1.74 -0.63 -1.00 116.66 112.90 1dk4 n ARG 463 Ca -0.11 0.49 0.13 0.00 -0.77 0.00 0.00 57.85 57.59 1dk4 n ARG 463 Cb 0.25 -1.69 0.40 0.00 -1.02 0.00 0.00 32.46 30.40 1dk4 n ARG 463 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 1dk4 h ASN 464 N 0.00 0.00 0.00 0.55 4.21 -0.93 -3.37 115.58 116.05 1dk4 h ASN 464 Ca 0.00 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.39 1dk4 h ASN 464 Cb 0.09 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.27 1dk4 h ASN 464 CO 0.00 0.00 -1.46 0.29 -1.29 0.00 0.00 177.43 174.97 1dk4 n LYS 465 N -2.54 0.20 -2.23 0.81 5.02 -0.17 -4.97 118.16 114.28 1dk4 n LYS 465 Ca 0.04 0.05 -0.43 0.00 -2.02 0.00 0.00 58.31 55.95 1dk4 n LYS 465 Cb 0.40 -1.12 -0.02 0.00 -0.02 0.00 0.00 35.03 34.26 1dk4 n LYS 465 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1dk4 s VAL 466 N -2.16 3.94 -0.70 -0.18 1.01 -1.03 -4.65 120.40 116.64 1dk4 s VAL 466 Ca -0.11 1.12 0.26 0.00 0.00 0.00 0.00 61.98 63.24 1dk4 s VAL 466 Cb 0.03 -3.79 0.27 0.00 0.00 0.00 0.00 36.38 32.90 1dk4 s VAL 466 CO 0.18 -0.17 1.77 1.17 0.00 0.00 0.00 175.10 178.05 1dk4 n LYS 467 N 7.03 0.23 -3.66 2.72 3.00 0.11 -4.70 118.16 122.89 1dk4 n LYS 467 Ca 0.16 0.25 -0.12 0.00 -0.00 0.00 0.00 58.31 58.60 1dk4 n LYS 467 Cb 0.44 -1.80 -0.12 0.00 0.00 0.00 0.00 35.03 33.55 1dk4 n LYS 467 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1dk4 s ARG 468 N -3.14 0.19 -0.08 1.64 0.52 0.16 -4.91 118.95 113.34 1dk4 s ARG 468 Ca 0.09 0.82 -0.05 0.00 -0.52 0.00 0.00 55.73 56.08 1dk4 s ARG 468 Cb 0.12 0.06 -0.04 0.00 0.52 0.00 0.00 34.95 35.61 1dk4 s ARG 468 CO 0.55 -0.28 0.13 0.08 0.02 0.00 0.00 175.30 175.80 1dk4 s VAL 469 N 2.46 5.28 0.03 3.52 1.01 -1.26 -2.07 120.40 129.37 1dk4 s VAL 469 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 61.98 61.93 1dk4 s VAL 469 Cb -0.12 -3.35 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 1dk4 s VAL 469 CO -0.10 0.52 0.09 -0.13 0.00 0.00 0.00 175.10 175.49 1dk4 s ARG 470 N -1.31 0.56 -0.42 2.72 1.81 -1.01 -5.02 118.95 116.27 1dk4 s ARG 470 Ca 0.19 -0.70 0.07 0.00 -1.72 0.00 0.00 55.73 53.56 1dk4 s ARG 470 Cb -0.12 0.22 0.18 0.00 -0.45 0.00 0.00 34.95 34.78 1dk4 s ARG 470 CO 0.08 -0.14 0.58 0.42 -0.68 0.00 0.00 175.30 175.57 1dk4 s ILE 471 N -2.39 -0.79 -1.82 1.52 1.01 -1.26 -3.68 121.20 113.79 1dk4 s ILE 471 Ca -0.07 -0.51 0.29 0.00 0.00 0.00 0.00 60.65 60.36 1dk4 s ILE 471 Cb -0.02 -0.20 0.51 0.00 0.01 0.00 0.00 42.46 42.75 1dk4 s ILE 471 CO -0.04 -0.19 1.86 0.49 0.00 0.00 0.00 174.94 177.07 1dk4 n PHE 472 N 4.05 0.00 -1.00 3.97 3.01 -1.26 -4.92 117.46 121.31 1dk4 n PHE 472 Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.59 1dk4 n PHE 472 Cb 0.54 -0.13 0.00 0.00 -0.01 0.00 0.00 39.48 39.88 1dk4 n PHE 472 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1dk4 n GLY 473 N 1.23 0.42 2.68 1.37 0.00 -1.26 -4.87 105.19 104.77 1dk4 n GLY 473 Ca 0.16 -1.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.07 1dk4 n GLY 473 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dk4 n ALA 474 N 0.70 -0.94 -0.33 4.61 0.00 -1.26 -4.71 120.51 118.58 1dk4 n ALA 474 Ca 0.00 -1.47 0.24 0.00 0.00 0.00 0.00 53.44 52.21 1dk4 n ALA 474 Cb 0.03 -1.34 0.46 0.00 0.00 0.00 0.00 19.45 18.61 1dk4 n ALA 474 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1dk4 h PHE 475 N 4.97 0.56 0.03 0.00 3.04 -1.93 0.15 116.94 123.75 1dk4 h PHE 475 Ca 0.07 0.05 -0.00 0.00 3.98 0.00 0.00 57.97 62.07 1dk4 h PHE 475 Cb 1.06 -0.08 -0.00 0.00 2.56 0.00 0.00 35.95 39.49 1dk4 h PHE 475 CO 0.12 -0.40 -0.05 0.78 -2.02 0.00 0.00 178.31 176.74 1dk4 h GLY 476 N 0.07 -0.98 1.55 2.40 0.00 -1.94 -0.79 103.07 103.38 1dk4 h GLY 476 Ca 0.74 0.43 0.04 0.00 0.00 0.00 0.00 47.33 48.54 1dk4 h GLY 476 CO -0.78 -0.36 0.19 -2.00 0.00 0.00 0.00 176.54 173.59 1dk4 h LEU 477 N -0.09 0.00 -0.25 3.11 5.85 -1.50 -2.09 115.31 120.34 1dk4 h LEU 477 Ca -0.00 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.53 1dk4 h LEU 477 Cb 0.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1dk4 h LEU 477 CO -0.02 0.00 -0.57 -0.33 -0.34 0.00 0.00 178.44 177.18 1dk4 h GLU 478 N 0.00 0.83 -0.61 1.25 5.08 -0.11 -3.06 114.58 117.96 1dk4 h GLU 478 Ca 0.07 -0.56 0.12 0.00 -1.00 0.00 0.00 59.36 57.99 1dk4 h GLU 478 Cb 0.44 0.08 -0.10 0.00 0.50 0.00 0.00 28.75 29.67 1dk4 h GLU 478 CO -0.00 1.18 0.06 0.52 -1.00 0.00 0.00 179.01 179.77 1dk4 h MET 479 N 0.60 0.17 -0.25 2.33 2.86 -0.43 0.81 114.93 121.02 1dk4 h MET 479 Ca 0.00 -0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.70 1dk4 h MET 479 Cb 1.18 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.79 1dk4 h MET 479 CO 0.12 0.11 0.19 0.00 1.06 0.00 0.00 176.91 178.40 1dk4 h TYR 481 N 0.00 0.00 0.01 0.00 -1.99 0.73 0.92 116.97 116.65 1dk4 h TYR 481 Ca 0.12 0.00 -0.20 0.00 2.00 0.00 0.00 58.73 60.65 1dk4 h TYR 481 Cb 0.51 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.22 1dk4 h TYR 481 CO 0.00 0.08 -0.91 0.28 -0.00 0.00 0.00 178.16 177.61 1dk4 h VAL 482 N 0.00 1.57 0.00 -2.88 2.07 0.66 0.13 116.25 117.79 1dk4 h VAL 482 Ca -0.00 -2.86 0.00 0.00 0.82 0.00 0.00 66.70 64.66 1dk4 h VAL 482 Cb 0.36 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 1dk4 h VAL 482 CO 0.01 0.82 0.00 0.00 0.02 0.00 0.00 177.57 178.42 1dk4 n ALA 483 N -2.42 -0.14 0.30 1.67 0.00 0.28 -3.10 120.51 117.11 1dk4 n ALA 483 Ca -0.02 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.55 1dk4 n ALA 483 Cb 0.84 0.03 0.67 0.00 0.00 0.00 0.00 19.45 21.00 1dk4 n ALA 483 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1dk4 h LYS 484 N 0.00 0.00 0.00 0.00 2.10 -0.66 -3.08 116.57 114.93 1dk4 h LYS 484 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1dk4 h LYS 484 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1dk4 h LYS 484 CO 0.00 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 177.86 1dk4 n GLY 485 N -1.30 1.29 0.08 0.07 0.00 -1.11 -4.48 105.19 99.74 1dk4 n GLY 485 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 1dk4 n GLY 485 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1dk4 h THR 486 N 0.00 1.08 -3.02 2.61 2.02 -1.02 -3.42 112.91 111.15 1dk4 h THR 486 Ca 0.00 -1.99 -0.61 0.00 0.77 0.00 0.00 66.41 64.58 1dk4 h THR 486 Cb 0.00 2.22 -0.05 0.00 -1.74 0.00 0.00 68.15 68.58 1dk4 h THR 486 CO 0.00 0.37 -0.22 -0.76 0.37 0.00 0.00 175.52 175.27 1dk4 s LEU 487 N -8.13 4.44 0.00 2.58 1.43 -0.94 -4.85 118.68 113.22 1dk4 s LEU 487 Ca -0.20 0.91 0.28 0.00 -1.03 0.00 0.00 54.13 54.09 1dk4 s LEU 487 Cb 0.01 -2.65 1.15 0.00 0.03 0.00 0.00 46.19 44.72 1dk4 s LEU 487 CO 0.53 0.29 1.85 0.47 0.23 0.00 0.00 176.35 179.72 1dk4 n ASP 488 N 1.62 0.14 0.00 2.29 9.92 -0.95 -4.51 116.55 125.07 1dk4 n ASP 488 Ca -0.13 0.16 0.00 0.00 -0.53 0.00 0.00 54.79 54.29 1dk4 n ASP 488 Cb 0.52 -0.29 0.00 0.00 -0.64 0.00 0.00 41.12 40.72 1dk4 n ASP 488 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1dk4 n ALA 489 N -1.41 0.00 0.00 2.24 0.00 -1.26 -2.00 120.51 118.08 1dk4 n ALA 489 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1dk4 n ALA 489 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 1dk4 n ALA 489 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1dk4 n VAL 490 N 0.13 0.00 -4.54 0.00 3.14 -0.87 -3.08 118.33 113.10 1dk4 n VAL 490 Ca 0.00 0.00 -0.27 0.00 -2.96 0.00 0.00 64.34 61.11 1dk4 n VAL 490 Cb 0.00 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 32.70 1dk4 n VAL 490 CO 0.00 0.00 0.00 0.72 -6.46 0.00 0.00 176.83 171.09 1dk4 s PHE 491 N 0.00 1.78 -0.38 1.45 -0.71 -1.19 -2.51 117.98 116.42 1dk4 s PHE 491 Ca 0.00 -1.30 0.07 0.00 -1.04 0.00 0.00 56.93 54.67 1dk4 s PHE 491 Cb 0.00 -1.18 0.18 0.00 -1.21 0.00 0.00 43.02 40.81 1dk4 s PHE 491 CO 0.00 -0.29 0.61 0.34 -1.34 0.00 0.00 175.22 174.54 1dk4 s ASP 492 N -3.64 -1.47 0.00 1.98 3.68 -1.18 -0.28 116.67 115.75 1dk4 s ASP 492 Ca 0.21 -0.58 0.25 0.00 2.13 0.00 0.00 52.55 54.56 1dk4 s ASP 492 Cb 0.02 1.94 0.62 0.00 -1.45 0.00 0.00 42.92 44.04 1dk4 s ASP 492 CO 0.14 -0.20 1.50 1.33 0.13 0.00 0.00 175.17 178.06 1dk4 n VAL 493 N 4.65 0.09 -3.30 1.11 0.24 -0.82 -2.95 118.33 117.36 1dk4 n VAL 493 Ca 0.10 -0.42 -0.40 0.00 -2.04 0.00 0.00 64.34 61.58 1dk4 n VAL 493 Cb 0.56 0.91 -0.02 0.00 -1.47 0.00 0.00 33.84 33.82 1dk4 n VAL 493 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 1dk4 n ARG 494 N 0.79 3.56 -1.24 7.34 1.85 -1.25 -4.67 116.66 123.04 1dk4 n ARG 494 Ca 0.17 -4.52 -0.12 0.00 -1.00 0.00 0.00 57.85 52.38 1dk4 n ARG 494 Cb 0.47 -2.47 -0.12 0.00 -1.05 0.00 0.00 32.46 29.29 1dk4 n ARG 494 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 1dk4 n PRO 495 N 1.92 0.00 0.00 2.89 -0.04 -1.26 -4.57 135.00 133.94 1dk4 n PRO 495 Ca 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1dk4 n PRO 495 Cb 0.37 -0.97 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 1dk4 n PRO 495 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1dk4 n LYS 496 N 4.90 2.16 -1.80 0.54 5.02 -1.25 -4.51 118.16 123.22 1dk4 n LYS 496 Ca 0.37 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.24 1dk4 n LYS 496 Cb 0.29 -0.92 -0.02 0.00 -0.02 0.00 0.00 35.03 34.35 1dk4 n LYS 496 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1dk4 s VAL 497 N -1.85 2.17 0.15 -0.18 0.11 -1.25 -4.69 120.40 114.85 1dk4 s VAL 497 Ca 0.00 0.13 0.01 0.00 -2.93 0.00 0.00 61.98 59.19 1dk4 s VAL 497 Cb 0.00 -3.08 0.01 0.00 -1.53 0.00 0.00 36.38 31.77 1dk4 s VAL 497 CO 0.00 0.02 0.04 0.54 -3.33 0.00 0.00 175.10 172.37 1dk4 n ARG 498 N 3.09 1.50 0.28 1.54 1.74 -1.26 -0.58 116.66 122.97 1dk4 n ARG 498 Ca 0.12 -1.03 -0.15 0.00 -0.77 0.00 0.00 57.85 56.01 1dk4 n ARG 498 Cb 0.37 0.22 -0.08 0.00 -1.02 0.00 0.00 32.46 31.94 1dk4 n ARG 498 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1dk4 h ALA 499 N 0.94 -1.13 -0.96 7.54 0.00 -1.75 -2.90 119.26 121.01 1dk4 h ALA 499 Ca -0.11 -0.18 0.27 0.00 0.00 0.00 0.00 54.91 54.89 1dk4 h ALA 499 Cb 0.37 0.60 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1dk4 h ALA 499 CO 0.18 -1.13 0.68 -0.39 0.00 0.00 0.00 179.25 178.59 1dk4 h VAL 500 N -0.89 0.53 0.13 0.00 -1.51 -1.88 0.82 116.25 113.46 1dk4 h VAL 500 Ca -0.07 -0.02 -0.28 0.00 -1.23 0.00 0.00 66.70 65.10 1dk4 h VAL 500 Cb 0.75 0.48 0.02 0.00 -2.13 0.00 0.00 31.29 30.41 1dk4 h VAL 500 CO -0.00 0.01 -1.24 0.44 -1.23 0.00 0.00 177.57 175.54 1dk4 h ASP 501 N 0.04 0.62 -0.15 4.19 3.32 -1.88 -3.33 116.42 119.22 1dk4 h ASP 501 Ca 0.46 -0.61 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1dk4 h ASP 501 Cb 1.77 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 41.12 1dk4 h ASP 501 CO -0.03 1.46 0.00 2.30 -1.72 0.00 0.00 179.24 181.25 1dk4 n ILE 502 N -3.65 0.52 0.00 0.35 -6.64 -0.46 -4.16 119.36 105.31 1dk4 n ILE 502 Ca -0.11 -0.76 0.00 0.00 -1.77 0.00 0.00 62.75 60.11 1dk4 n ILE 502 Cb 1.00 0.83 0.00 0.00 -1.44 0.00 0.00 39.64 40.04 1dk4 n ILE 502 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1dk4 n ALA 503 N 0.43 -0.23 -0.33 -1.28 0.00 0.16 -0.96 120.51 118.30 1dk4 n ALA 503 Ca 0.08 0.00 0.28 0.00 0.00 0.00 0.00 53.44 53.80 1dk4 n ALA 503 Cb 0.32 0.00 0.54 0.00 0.00 0.00 0.00 19.45 20.30 1dk4 n ALA 503 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1dk4 h SER 504 N 0.00 0.39 1.37 0.00 4.64 -1.84 1.04 113.55 119.16 1dk4 h SER 504 Ca 0.00 0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1dk4 h SER 504 Cb 0.00 0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1dk4 h SER 504 CO 0.00 -0.31 -0.58 0.28 -0.87 0.00 0.00 176.83 175.36 1dk4 h SER 505 N 0.14 0.00 -0.42 4.97 0.02 -1.83 -3.31 113.55 113.12 1dk4 h SER 505 Ca 0.80 -0.02 0.09 0.00 -0.84 0.00 0.00 61.79 61.82 1dk4 h SER 505 Cb 1.99 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 64.45 1dk4 h SER 505 CO -0.70 0.01 -0.14 0.22 -1.14 0.00 0.00 176.83 175.08 1dk4 h TYR 506 N 0.00 -0.32 -0.03 3.45 3.20 0.30 -1.17 116.97 122.40 1dk4 h TYR 506 Ca 0.00 0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.92 1dk4 h TYR 506 Cb 0.97 0.21 -0.00 0.00 1.54 0.00 0.00 36.73 39.45 1dk4 h TYR 506 CO 0.00 -0.22 0.06 0.82 -1.64 0.00 0.00 178.16 177.18 1dk4 h ILE 507 N -0.05 0.29 0.07 1.81 2.04 -1.63 -2.56 117.51 117.48 1dk4 h ILE 507 Ca 0.20 0.00 -0.35 0.00 1.00 0.00 0.00 64.86 65.71 1dk4 h ILE 507 Cb 0.35 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1dk4 h ILE 507 CO -0.45 0.00 -1.98 -0.38 0.00 0.00 0.00 178.15 175.34 1dk4 n ILE 508 N -3.49 1.66 0.06 -0.67 5.41 -0.50 -2.71 119.36 119.13 1dk4 n ILE 508 Ca -0.02 -0.49 -0.07 0.00 1.00 0.00 0.00 62.75 63.17 1dk4 n ILE 508 Cb 0.14 -1.75 0.09 0.00 -0.71 0.00 0.00 39.64 37.41 1dk4 n ILE 508 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1dk4 h LYS 510 N 0.25 -0.48 -0.80 0.00 1.79 -1.63 0.21 116.57 115.91 1dk4 h LYS 510 Ca -0.01 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1dk4 h LYS 510 Cb 1.15 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 1dk4 h LYS 510 CO 0.10 -0.32 0.00 0.39 -1.08 0.00 0.00 179.45 178.54 1dk4 n GLU 511 N -4.25 0.28 -0.09 3.15 -0.58 -1.08 -2.66 120.64 115.41 1dk4 n GLU 511 Ca -0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 1dk4 n GLU 511 Cb 0.26 -1.22 0.00 0.00 -0.57 0.00 0.00 31.44 29.91 1dk4 n GLU 511 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1dk4 n ALA 512 N 0.54 1.18 0.00 0.62 0.00 -0.87 -2.74 120.51 119.24 1dk4 n ALA 512 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1dk4 n ALA 512 Cb 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.53 1dk4 n ALA 512 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dk4 n GLY 513 N 0.00 0.26 3.85 0.00 0.00 -0.65 -1.87 105.19 106.77 1dk4 n GLY 513 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1dk4 n GLY 513 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dk4 s ALA 514 N -2.00 3.06 0.14 4.61 0.00 0.66 -4.86 121.76 123.37 1dk4 s ALA 514 Ca 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 51.96 52.06 1dk4 s ALA 514 Cb 0.00 -3.12 -0.05 0.00 0.00 0.00 0.00 23.12 19.95 1dk4 s ALA 514 CO 0.00 -0.33 0.37 -0.51 0.00 0.00 0.00 175.76 175.28 1dk4 s LEU 515 N -4.27 4.27 -0.06 0.00 1.43 -0.36 -4.43 118.68 115.25 1dk4 s LEU 515 Ca 0.58 0.55 -0.00 0.00 -1.03 0.00 0.00 54.13 54.23 1dk4 s LEU 515 Cb -0.10 -3.28 0.03 0.00 0.03 0.00 0.00 46.19 42.87 1dk4 s LEU 515 CO 0.35 0.05 -0.02 -0.63 0.23 0.00 0.00 176.35 176.34 1dk4 s ILE 516 N -1.67 0.42 -0.04 -0.59 1.01 -1.26 -1.30 121.20 117.78 1dk4 s ILE 516 Ca 0.40 0.02 -0.02 0.00 0.00 0.00 0.00 60.65 61.06 1dk4 s ILE 516 Cb -0.12 -0.52 0.03 0.00 0.01 0.00 0.00 42.46 41.86 1dk4 s ILE 516 CO 0.25 0.24 0.07 -0.89 0.00 0.00 0.00 174.94 174.61 1dk4 s THR 517 N 1.47 -0.11 1.26 2.92 2.01 -0.57 -2.06 115.64 120.56 1dk4 s THR 517 Ca -0.03 0.35 -0.20 0.00 0.31 0.00 0.00 61.69 62.12 1dk4 s THR 517 Cb -0.13 -0.15 0.31 0.00 0.01 0.00 0.00 72.50 72.54 1dk4 s THR 517 CO -0.03 0.14 1.07 1.51 -0.69 0.00 0.00 174.62 176.63 1dk4 s ASP 518 N 1.82 0.37 0.56 3.53 1.47 0.14 -1.25 116.67 123.31 1dk4 s ASP 518 Ca 0.00 0.65 0.25 0.00 1.18 0.00 0.00 52.55 54.63 1dk4 s ASP 518 Cb -0.12 -0.89 1.56 0.00 -0.34 0.00 0.00 42.92 43.12 1dk4 s ASP 518 CO -0.04 -4.46 2.13 1.05 0.68 0.00 0.00 175.17 174.53 1dk4 h GLU 519 N -2.81 0.00 -1.13 2.11 9.09 -1.90 -2.45 114.58 117.49 1dk4 h GLU 519 Ca -0.44 0.00 -0.43 0.00 0.05 0.00 0.00 59.36 58.54 1dk4 h GLU 519 Cb 1.30 0.00 -0.22 0.00 -1.65 0.00 0.00 28.75 28.18 1dk4 h GLU 519 CO 0.31 0.00 0.56 0.09 0.05 0.00 0.00 179.01 180.02 1dk4 n ASN 520 N -4.09 5.18 0.00 3.06 3.02 -1.26 -4.82 115.26 116.35 1dk4 n ASN 520 Ca 0.01 -3.29 0.00 0.00 -0.03 0.00 0.00 54.58 51.27 1dk4 n ASN 520 Cb 0.25 -0.87 0.00 0.00 -0.61 0.00 0.00 39.78 38.55 1dk4 n ASN 520 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dk4 n GLY 521 N -0.50 0.81 3.77 7.41 0.00 -0.92 -4.96 105.19 110.80 1dk4 n GLY 521 Ca 0.45 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.11 1dk4 n GLY 521 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dk4 s ASP 522 N -2.67 6.40 -0.98 1.61 1.01 -1.24 -4.78 116.67 116.01 1dk4 s ASP 522 Ca 0.00 0.46 -0.31 0.00 0.71 0.00 0.00 52.55 53.42 1dk4 s ASP 522 Cb 0.00 -2.14 -0.21 0.00 1.01 0.00 0.00 42.92 41.57 1dk4 s ASP 522 CO 0.00 0.20 2.68 1.21 0.21 0.00 0.00 175.17 179.47 1dk4 n GLU 523 N 3.11 0.04 -1.57 8.23 4.07 -1.26 0.23 120.64 133.49 1dk4 n GLU 523 Ca -0.15 -0.00 -0.54 0.00 -0.06 0.00 0.00 57.16 56.41 1dk4 n GLU 523 Cb 0.52 -1.58 -0.07 0.00 -0.06 0.00 0.00 31.44 30.26 1dk4 n GLU 523 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1dk4 n LEU 524 N 10.69 1.19 -3.64 4.31 7.94 -0.88 -4.79 117.00 131.84 1dk4 n LEU 524 Ca 0.65 1.13 -0.29 0.00 -1.11 0.00 0.00 56.01 56.38 1dk4 n LEU 524 Cb 0.05 -1.11 -0.15 0.00 0.53 0.00 0.00 43.42 42.75 1dk4 n LEU 524 CO 0.93 -1.27 -0.33 -0.54 -1.11 0.00 0.00 177.39 175.08 1dk4 s LYS 525 N 0.48 0.49 0.50 1.96 1.02 -1.26 -4.93 119.74 118.00 1dk4 s LYS 525 Ca 0.87 -0.88 0.05 0.00 0.02 0.00 0.00 55.97 56.03 1dk4 s LYS 525 Cb -1.05 -1.61 0.03 0.00 -0.52 0.00 0.00 37.83 34.68 1dk4 s LYS 525 CO 0.51 -1.02 0.69 -0.59 -0.92 0.00 0.00 175.35 174.02 1dk4 s PHE 526 N 1.76 2.70 0.49 3.18 -0.12 -1.26 -5.13 117.98 119.60 1dk4 s PHE 526 Ca 0.10 -0.24 0.09 0.00 -0.05 0.00 0.00 56.93 56.82 1dk4 s PHE 526 Cb -0.17 -2.56 0.04 0.00 -0.63 0.00 0.00 43.02 39.70 1dk4 s PHE 526 CO -0.28 -0.72 0.64 0.34 -0.05 0.00 0.00 175.22 175.15 1dk4 s ASP 527 N -4.42 5.36 -0.76 1.98 -1.08 -1.26 -5.07 116.67 111.41 1dk4 s ASP 527 Ca 0.57 -0.64 -0.05 0.00 -0.52 0.00 0.00 52.55 51.90 1dk4 s ASP 527 Cb -0.10 -0.23 0.20 0.00 -1.46 0.00 0.00 42.92 41.32 1dk4 s ASP 527 CO 0.36 -1.00 0.63 -0.76 0.52 0.00 0.00 175.17 174.93 1dk4 s LEU 528 N -4.46 5.70 0.22 -1.34 1.43 -1.26 -4.77 118.68 114.20 1dk4 s LEU 528 Ca 0.57 -3.09 -0.10 0.00 -1.03 0.00 0.00 54.13 50.48 1dk4 s LEU 528 Cb -0.08 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 1dk4 s LEU 528 CO 0.35 -0.36 0.37 0.54 0.23 0.00 0.00 176.35 177.47 1dk4 s ASN 529 N 0.82 -0.02 -0.06 2.29 6.03 -1.26 -5.00 114.94 117.74 1dk4 s ASN 529 Ca 0.21 -1.00 -0.12 0.00 -1.03 0.00 0.00 52.86 50.91 1dk4 s ASN 529 Cb -0.14 0.51 -0.08 0.00 -3.03 0.00 0.00 41.25 38.51 1dk4 s ASN 529 CO -0.07 -1.02 0.50 0.00 -2.03 0.00 0.00 177.10 174.48 1dk4 h ALA 530 N 2.39 -0.31 -3.00 3.54 0.00 -1.90 -3.34 119.26 116.64 1dk4 h ALA 530 Ca -0.29 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1dk4 h ALA 530 Cb 1.25 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1dk4 h ALA 530 CO 0.42 -0.31 0.00 2.41 0.00 0.00 0.00 179.25 181.77 1dk4 n THR 531 N -4.98 0.00 -1.99 0.00 -1.04 -1.26 -4.46 114.28 100.55 1dk4 n THR 531 Ca -0.05 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.94 1dk4 n THR 531 Cb 0.17 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.67 1dk4 n THR 531 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1dk4 n ASP 532 N -1.45 -3.79 -4.29 8.00 10.43 -1.26 -4.56 116.55 119.63 1dk4 n ASP 532 Ca 0.00 0.97 -0.44 0.00 2.57 0.00 0.00 54.79 57.89 1dk4 n ASP 532 Cb 0.00 -3.57 -0.07 0.00 1.84 0.00 0.00 41.12 39.32 1dk4 n ASP 532 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 1dk4 s ARG 533 N -0.99 2.82 0.34 -1.24 1.81 -1.26 -4.29 118.95 116.14 1dk4 s ARG 533 Ca -0.09 -1.66 0.07 0.00 -1.72 0.00 0.00 55.73 52.33 1dk4 s ARG 533 Cb 0.01 -4.14 -0.01 0.00 -0.45 0.00 0.00 34.95 30.36 1dk4 s ARG 533 CO 0.24 -1.22 0.47 -0.48 -0.68 0.00 0.00 175.30 173.63 1dk4 s LEU 534 N 1.53 3.97 0.88 2.53 2.34 0.25 -4.42 118.68 125.77 1dk4 s LEU 534 Ca 0.04 -0.19 -0.14 0.00 0.06 0.00 0.00 54.13 53.91 1dk4 s LEU 534 Cb -0.28 -2.76 0.14 0.00 -0.56 0.00 0.00 46.19 42.74 1dk4 s LEU 534 CO 0.02 -0.44 1.24 0.20 -1.06 0.00 0.00 176.35 176.32 1dk4 s ASN 535 N -4.18 3.79 0.00 1.48 0.02 -1.26 -3.89 114.94 110.90 1dk4 s ASN 535 Ca 0.45 0.48 0.00 0.00 -1.02 0.00 0.00 52.86 52.77 1dk4 s ASN 535 Cb -0.10 -0.74 0.00 0.00 0.02 0.00 0.00 41.25 40.44 1dk4 s ASN 535 CO 0.31 -2.33 0.00 0.00 0.02 0.00 0.00 177.10 175.11 1dk4 n ILE 536 N -3.53 0.00 -3.74 0.60 3.06 -1.15 -4.90 119.36 109.70 1dk4 n ILE 536 Ca 0.12 0.00 -0.28 0.00 -2.50 0.00 0.00 62.75 60.09 1dk4 n ILE 536 Cb 0.60 0.00 -0.16 0.00 0.54 0.00 0.00 39.64 40.62 1dk4 n ILE 536 CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 1dk4 s ILE 537 N -1.45 0.57 -0.33 9.51 1.01 -0.38 -3.13 121.20 127.00 1dk4 s ILE 537 Ca 0.00 -0.62 -0.12 0.00 0.00 0.00 0.00 60.65 59.92 1dk4 s ILE 537 Cb 0.00 -1.09 -0.01 0.00 0.01 0.00 0.00 42.46 41.37 1dk4 s ILE 537 CO 0.00 -0.22 0.21 -0.69 0.00 0.00 0.00 174.94 174.24 1dk4 s VAL 538 N 1.83 5.02 0.03 2.92 1.01 -1.05 -1.51 120.40 128.66 1dk4 s VAL 538 Ca -0.01 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 61.71 1dk4 s VAL 538 Cb -0.17 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 1dk4 s VAL 538 CO -0.09 0.00 -0.16 0.00 0.00 0.00 0.00 175.10 174.86 1dk4 s ALA 539 N 1.68 1.33 0.26 5.51 0.00 -0.42 -2.06 121.76 128.06 1dk4 s ALA 539 Ca 0.05 -0.85 -0.06 0.00 0.00 0.00 0.00 51.96 51.11 1dk4 s ALA 539 Cb -0.17 -0.25 0.49 0.00 0.00 0.00 0.00 23.12 23.19 1dk4 s ALA 539 CO 0.09 0.28 1.62 -0.97 0.00 0.00 0.00 175.76 176.78 1dk4 h ASN 540 N 5.08 -0.42 0.00 0.00 -1.24 -1.70 -0.96 115.58 116.34 1dk4 h ASN 540 Ca -0.39 0.22 0.00 0.00 0.71 0.00 0.00 56.30 56.84 1dk4 h ASN 540 Cb 1.17 0.39 0.00 0.00 0.73 0.00 0.00 38.32 40.61 1dk4 h ASN 540 CO 0.45 -0.22 0.00 -1.54 -1.29 0.00 0.00 177.43 174.83 1dk4 n SER 541 N -5.39 0.38 -0.10 1.15 3.41 -1.26 -4.69 113.62 107.12 1dk4 n SER 541 Ca 0.15 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.59 1dk4 n SER 541 Cb 0.52 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.39 1dk4 n SER 541 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1dk4 n LYS 542 N 0.00 0.47 -0.32 4.33 3.00 -1.26 -2.91 118.16 121.46 1dk4 n LYS 542 Ca 0.00 0.14 0.10 0.00 -0.00 0.00 0.00 58.31 58.56 1dk4 n LYS 542 Cb 0.00 -1.33 0.31 0.00 0.00 0.00 0.00 35.03 34.01 1dk4 n LYS 542 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1dk4 h GLU 543 N -0.29 0.81 0.43 1.64 3.07 -1.98 1.49 114.58 119.74 1dk4 h GLU 543 Ca -0.47 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 58.32 1dk4 h GLU 543 Cb 1.59 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 29.32 1dk4 h GLU 543 CO -0.17 0.54 -0.20 1.98 -1.40 0.00 0.00 179.01 179.75 1dk4 h MET 544 N 0.83 -0.55 -0.93 2.33 -1.53 -1.95 -2.28 114.93 110.85 1dk4 h MET 544 Ca 0.49 0.04 0.27 0.00 -3.44 0.00 0.00 59.70 57.07 1dk4 h MET 544 Cb 0.66 0.13 -0.16 0.00 -0.55 0.00 0.00 31.60 31.68 1dk4 h MET 544 CO -0.26 -0.37 0.22 1.25 0.14 0.00 0.00 176.91 177.89 1dk4 h LEU 545 N -0.74 -0.10 0.22 3.39 5.85 -1.21 1.02 115.31 123.74 1dk4 h LEU 545 Ca -0.06 0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.90 1dk4 h LEU 545 Cb 0.44 0.34 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 1dk4 h LEU 545 CO 0.10 -0.26 -0.38 0.44 -0.34 0.00 0.00 178.44 178.00 1dk4 h ASP 546 N 0.12 -1.09 -0.16 1.25 3.45 0.20 0.68 116.42 120.88 1dk4 h ASP 546 Ca 0.61 0.11 0.02 0.00 0.43 0.00 0.00 57.03 58.21 1dk4 h ASP 546 Cb 1.32 0.39 -0.04 0.00 -0.56 0.00 0.00 39.33 40.44 1dk4 h ASP 546 CO -0.76 -0.48 -0.30 0.40 -1.57 0.00 0.00 179.24 176.53 1dk4 h ILE 547 N -0.68 0.00 -0.53 0.35 2.04 0.15 -1.72 117.51 117.13 1dk4 h ILE 547 Ca 0.01 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.96 1dk4 h ILE 547 Cb 0.66 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.67 1dk4 h ILE 547 CO -0.16 0.00 0.12 0.40 0.00 0.00 0.00 178.15 178.50 1dk4 h ILE 548 N -0.26 0.71 0.00 -0.67 5.03 -0.52 -1.73 117.51 120.08 1dk4 h ILE 548 Ca 0.03 -0.09 0.00 0.00 -0.12 0.00 0.00 64.86 64.68 1dk4 h ILE 548 Cb 0.34 0.43 0.00 0.00 -3.03 0.00 0.00 36.82 34.56 1dk4 h ILE 548 CO -0.28 0.05 0.00 0.18 -0.68 0.00 0.00 178.15 177.41 1dk4 n LEU 549 N -5.10 0.03 -0.07 1.44 4.77 0.24 -2.40 117.00 115.90 1dk4 n LEU 549 Ca 0.07 0.51 -0.08 0.00 -0.03 0.00 0.00 56.01 56.48 1dk4 n LEU 549 Cb 0.26 -0.51 -0.10 0.00 -2.33 0.00 0.00 43.42 40.75 1dk4 n LEU 549 CO 0.20 -0.41 -0.96 -0.67 -1.33 0.00 0.00 177.39 174.22 1dk4 n ASP 550 N -1.53 2.05 -0.03 -1.43 2.03 -0.69 -4.56 116.55 112.39 1dk4 n ASP 550 Ca 0.01 -0.03 -0.09 0.00 0.52 0.00 0.00 54.79 55.21 1dk4 n ASP 550 Cb 0.08 0.52 -0.03 0.00 -0.72 0.00 0.00 41.12 40.96 1dk4 n ASP 550 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1dk4 h LEU 551 N 0.00 -0.07 0.00 -2.67 3.38 -1.10 -3.50 115.31 111.35 1dk4 h LEU 551 Ca -0.36 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1dk4 h LEU 551 Cb 1.74 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.56 1dk4 h LEU 551 CO -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.52