#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n6m h HIS 293 N 0.00 0.46 -0.37 1.12 3.86 -2.05 -3.05 115.15 115.12 1n6m h HIS 293 Ca 0.00 -0.15 -0.07 0.00 -1.16 0.00 0.00 60.37 58.99 1n6m h HIS 293 Cb 0.00 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.36 1n6m h HIS 293 CO 0.00 0.79 -0.06 0.00 0.86 0.00 0.00 177.93 179.52 1n6m h ALA 294 N 1.18 1.21 0.46 2.45 0.00 -2.05 0.11 119.26 122.61 1n6m h ALA 294 Ca 0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1n6m h ALA 294 Cb 0.96 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1n6m h ALA 294 CO 0.08 0.51 -0.22 0.00 0.00 0.00 0.00 179.25 179.63 1n6m h ALA 295 N 1.37 -0.61 -0.22 0.00 0.00 -1.97 -1.16 119.26 116.66 1n6m h ALA 295 Ca 0.11 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1n6m h ALA 295 Cb 0.45 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1n6m h ALA 295 CO 0.02 -0.80 0.02 -0.07 0.00 0.00 0.00 179.25 178.42 1n6m h LEU 296 N -0.71 -0.05 -1.02 0.00 3.38 -1.49 0.13 115.31 115.56 1n6m h LEU 296 Ca -0.06 0.04 0.15 0.00 0.09 0.00 0.00 57.88 58.10 1n6m h LEU 296 Cb 0.52 0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.25 1n6m h LEU 296 CO 0.10 0.00 0.62 0.28 0.09 0.00 0.00 178.44 179.54 1n6m h SER 297 N 0.09 0.86 0.22 -0.43 0.02 -0.89 -0.29 113.55 113.13 1n6m h SER 297 Ca 0.10 0.07 -0.18 0.00 -0.84 0.00 0.00 61.79 60.94 1n6m h SER 297 Cb 0.12 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 1n6m h SER 297 CO -0.16 0.40 -0.69 0.74 -1.14 0.00 0.00 176.83 175.98 1n6m h THR 298 N 0.89 1.37 0.00 -2.27 2.02 -0.39 -2.69 112.91 111.84 1n6m h THR 298 Ca 0.53 -2.07 -0.09 0.00 0.77 0.00 0.00 66.41 65.56 1n6m h THR 298 Cb 0.67 2.04 -0.01 0.00 -1.74 0.00 0.00 68.15 69.11 1n6m h THR 298 CO -0.31 0.62 -0.41 -0.08 0.37 0.00 0.00 175.52 175.72 1n6m h GLU 299 N 0.30 0.00 0.24 6.66 4.81 0.11 -2.46 114.58 124.24 1n6m h GLU 299 Ca -0.02 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1n6m h GLU 299 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1n6m h GLU 299 CO 0.12 0.41 -0.12 0.28 -0.73 0.00 0.00 179.01 178.97 1n6m h VAL 300 N 0.00 0.58 -0.98 0.32 2.07 -1.00 -1.32 116.25 115.92 1n6m h VAL 300 Ca -0.00 -0.93 0.16 0.00 0.82 0.00 0.00 66.70 66.74 1n6m h VAL 300 Cb 0.88 0.95 -0.09 0.00 -1.52 0.00 0.00 31.29 31.52 1n6m h VAL 300 CO 0.05 0.14 0.61 0.58 0.02 0.00 0.00 177.57 178.98 1n6m h VAL 301 N -0.94 0.80 -0.16 2.57 2.07 -1.47 0.15 116.25 119.28 1n6m h VAL 301 Ca -0.03 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.16 1n6m h VAL 301 Cb 0.49 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1n6m h VAL 301 CO 0.05 0.15 -0.11 0.45 0.02 0.00 0.00 177.57 178.13 1n6m h HIS 302 N 0.80 0.42 -0.78 1.57 -0.00 -1.49 -2.59 115.15 113.08 1n6m h HIS 302 Ca 0.52 -0.12 0.13 0.00 -0.00 0.00 0.00 60.37 60.90 1n6m h HIS 302 Cb 0.76 -0.09 -0.09 0.00 -0.00 0.00 0.00 27.41 27.99 1n6m h HIS 302 CO -0.00 0.71 0.38 -0.07 -0.00 0.00 0.00 177.93 178.94 1n6m h LEU 303 N 0.01 0.45 -1.38 2.43 4.07 0.21 0.29 115.31 121.39 1n6m h LEU 303 Ca 0.03 0.08 -0.04 0.00 0.08 0.00 0.00 57.88 58.03 1n6m h LEU 303 Cb 0.62 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.37 1n6m h LEU 303 CO 0.03 0.21 -0.20 0.03 -1.08 0.00 0.00 178.44 177.43 1n6m h ARG 304 N 0.58 0.00 -0.07 1.13 3.08 -0.73 -1.62 114.38 116.76 1n6m h ARG 304 Ca 0.41 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.33 1n6m h ARG 304 Cb 0.54 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.60 1n6m h ARG 304 CO -0.34 0.20 -0.47 1.96 -1.07 0.00 0.00 179.97 180.25 1n6m h GLN 305 N 0.00 0.43 -0.10 0.04 4.20 -0.07 -1.48 115.11 118.13 1n6m h GLN 305 Ca -0.00 -0.38 -0.12 0.00 0.06 0.00 0.00 58.65 58.21 1n6m h GLN 305 Cb 0.62 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 1n6m h GLN 305 CO 0.03 1.02 -0.47 -0.09 -0.67 0.00 0.00 178.83 178.64 1n6m h ARG 306 N -0.03 0.26 -0.21 1.46 9.65 -1.10 -2.00 114.38 122.42 1n6m h ARG 306 Ca -0.04 -0.14 -0.14 0.00 -1.10 0.00 0.00 59.98 58.56 1n6m h ARG 306 Cb 1.13 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.71 1n6m h ARG 306 CO 0.10 0.68 -0.46 1.15 2.80 0.00 0.00 179.97 184.24 1n6m h THR 307 N 0.21 1.31 0.01 0.20 2.02 -1.29 -0.81 112.91 114.56 1n6m h THR 307 Ca 0.01 -1.66 -0.19 0.00 0.77 0.00 0.00 66.41 65.34 1n6m h THR 307 Cb 0.92 1.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.96 1n6m h THR 307 CO 0.07 0.52 -0.89 -0.08 0.37 0.00 0.00 175.52 175.51 1n6m h GLU 308 N 0.42 0.09 -0.07 6.66 4.57 -1.08 -1.47 114.58 123.70 1n6m h GLU 308 Ca 0.03 -0.11 -0.22 0.00 -1.18 0.00 0.00 59.36 57.88 1n6m h GLU 308 Cb 0.96 0.03 0.01 0.00 -0.16 0.00 0.00 28.75 29.59 1n6m h GLU 308 CO 0.09 0.92 -0.85 1.49 -1.18 0.00 0.00 179.01 179.47 1n6m h GLU 309 N 0.04 0.57 -0.18 1.92 4.81 -1.27 -2.51 114.58 117.96 1n6m h GLU 309 Ca -0.03 -0.52 -0.20 0.00 -0.13 0.00 0.00 59.36 58.47 1n6m h GLU 309 Cb 1.55 0.13 0.00 0.00 0.63 0.00 0.00 28.75 31.06 1n6m h GLU 309 CO 0.13 1.15 -0.69 -0.07 -0.73 0.00 0.00 179.01 178.79 1n6m h LEU 310 N 0.36 0.84 -0.90 1.64 4.07 -1.14 -0.66 115.31 119.53 1n6m h LEU 310 Ca -0.07 -0.52 -0.05 0.00 0.08 0.00 0.00 57.88 57.32 1n6m h LEU 310 Cb 1.47 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 42.94 1n6m h LEU 310 CO 0.16 1.30 0.20 0.25 -1.08 0.00 0.00 178.44 179.27 1n6m h LEU 311 N 0.52 0.94 0.22 1.67 6.46 -1.30 0.22 115.31 124.04 1n6m h LEU 311 Ca -0.03 -0.17 -0.01 0.00 -0.12 0.00 0.00 57.88 57.56 1n6m h LEU 311 Cb 1.30 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 40.98 1n6m h LEU 311 CO 0.14 0.88 -0.11 0.03 -0.62 0.00 0.00 178.44 178.76 1n6m h ARG 312 N 0.97 -0.29 -0.85 1.25 3.08 -1.30 -2.08 114.38 115.16 1n6m h ARG 312 Ca 0.21 0.02 0.25 0.00 0.07 0.00 0.00 59.98 60.53 1n6m h ARG 312 Cb 0.28 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 1n6m h ARG 312 CO -0.01 -0.19 0.65 0.00 -1.07 0.00 0.00 179.97 179.35 1n6m h ASN 314 N 0.00 0.00 1.00 0.00 -1.24 -0.46 -3.06 115.58 111.82 1n6m h ASN 314 Ca 0.41 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.42 1n6m h ASN 314 Cb 1.71 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.76 1n6m h ASN 314 CO -0.00 0.36 -0.57 -0.08 -1.29 0.00 0.00 177.43 175.84 1n6m h GLU 315 N 0.00 0.00 0.10 6.67 4.81 0.20 -3.07 114.58 123.29 1n6m h GLU 315 Ca -0.00 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.94 1n6m h GLU 315 Cb 0.92 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 1n6m h GLU 315 CO 0.05 0.00 -1.38 1.96 -0.73 0.00 0.00 179.01 178.90 1n6m h GLN 316 N 0.00 0.22 -0.40 1.92 1.08 -1.41 -2.63 115.11 113.89 1n6m h GLN 316 Ca 0.00 -0.38 -0.13 0.00 -1.45 0.00 0.00 58.65 56.69 1n6m h GLN 316 Cb 0.78 0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 28.35 1n6m h GLN 316 CO 0.00 1.11 -0.27 1.96 -0.95 0.00 0.00 178.83 180.68 1n6m h GLN 317 N 0.06 0.88 -0.94 1.46 4.20 -1.63 -0.07 115.11 119.08 1n6m h GLN 317 Ca -0.18 -0.42 0.04 0.00 0.06 0.00 0.00 58.65 58.15 1n6m h GLN 317 Cb 1.98 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 29.69 1n6m h GLN 317 CO 0.17 1.07 0.61 0.00 -0.67 0.00 0.00 178.83 180.01 1n6m h ALA 318 N 0.80 1.42 -0.18 3.87 0.00 -1.57 0.31 119.26 123.90 1n6m h ALA 318 Ca 0.08 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1n6m h ALA 318 Cb 0.84 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1n6m h ALA 318 CO 0.07 0.47 -0.14 0.00 0.00 0.00 0.00 179.25 179.65 1n6m h ALA 319 N 1.46 0.26 -0.36 0.00 0.00 -1.05 -2.08 119.26 117.49 1n6m h ALA 319 Ca 0.38 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1n6m h ALA 319 Cb 0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1n6m h ALA 319 CO -0.12 0.14 -0.12 0.93 0.00 0.00 0.00 179.25 180.08 1n6m h GLU 320 N 0.08 0.71 -0.66 0.00 5.08 -0.62 -2.51 114.58 116.67 1n6m h GLU 320 Ca 0.03 -0.29 0.11 0.00 -1.00 0.00 0.00 59.36 58.22 1n6m h GLU 320 Cb 0.66 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.84 1n6m h GLU 320 CO 0.04 0.88 0.44 1.25 -1.00 0.00 0.00 179.01 180.62 1n6m h LEU 321 N 0.50 0.40 0.55 1.33 7.12 -0.40 -1.33 115.31 123.47 1n6m h LEU 321 Ca 0.09 0.01 -0.03 0.00 0.13 0.00 0.00 57.88 58.08 1n6m h LEU 321 Cb 0.64 -0.07 0.01 0.00 -0.53 0.00 0.00 40.66 40.71 1n6m h LEU 321 CO 0.04 0.23 -0.26 -0.08 -0.13 0.00 0.00 178.44 178.24 1n6m h GLU 322 N 0.44 -0.71 -0.10 1.25 4.81 -0.93 -1.17 114.58 118.17 1n6m h GLU 322 Ca 0.31 0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.61 1n6m h GLU 322 Cb 0.62 0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.14 1n6m h GLU 322 CO -0.09 -0.41 -0.06 1.79 -0.73 0.00 0.00 179.01 179.51 1n6m h THR 323 N -1.08 0.82 -0.96 0.32 1.35 -1.30 -0.74 112.91 111.31 1n6m h THR 323 Ca -0.07 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 65.93 1n6m h THR 323 Cb 0.62 0.82 -0.08 0.00 -1.73 0.00 0.00 68.15 67.78 1n6m h THR 323 CO 0.12 0.00 0.61 0.00 -0.25 0.00 0.00 175.52 176.00 1n6m h LYS 325 N 0.83 -1.13 -0.57 0.00 1.63 -0.32 -1.54 116.57 115.47 1n6m h LYS 325 Ca 0.49 0.08 0.11 0.00 -0.85 0.00 0.00 60.65 60.48 1n6m h LYS 325 Cb 0.67 0.26 -0.09 0.00 -0.60 0.00 0.00 32.23 32.47 1n6m h LYS 325 CO -0.26 -0.75 0.05 0.93 -3.45 0.00 0.00 179.45 175.97 1n6m h GLU 326 N -1.22 0.17 0.00 1.90 4.39 0.20 -0.62 114.58 119.40 1n6m h GLU 326 Ca -0.12 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1n6m h GLU 326 Cb 0.91 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 1n6m h GLU 326 CO 0.20 0.11 0.00 1.96 -1.16 0.00 0.00 179.01 180.12 1n6m h GLN 327 N 0.17 0.00 0.18 2.33 4.20 -0.54 -0.73 115.11 120.73 1n6m h GLN 327 Ca 0.29 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.75 1n6m h GLN 327 Cb 0.45 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.25 1n6m h GLN 327 CO -0.44 0.00 -1.12 1.25 -0.67 0.00 0.00 178.83 177.85 1n6m h LEU 328 N 0.00 0.60 -0.52 1.46 5.85 -0.09 -1.53 115.31 121.08 1n6m h LEU 328 Ca 0.00 -0.93 -0.03 0.00 0.84 0.00 0.00 57.88 57.76 1n6m h LEU 328 Cb 0.46 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1n6m h LEU 328 CO 0.00 1.53 0.22 0.15 -0.34 0.00 0.00 178.44 180.01 1n6m h PHE 329 N -0.18 0.77 -0.48 1.25 3.57 -1.03 0.80 116.94 121.65 1n6m h PHE 329 Ca -0.20 -0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.16 1n6m h PHE 329 Cb 1.85 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 40.34 1n6m h PHE 329 CO 0.17 0.62 -0.07 0.37 -2.23 0.00 0.00 178.31 177.17 1n6m h GLN 330 N 0.69 0.84 -0.24 1.11 5.75 -1.22 -2.09 115.11 119.95 1n6m h GLN 330 Ca 0.17 -0.27 -0.06 0.00 -0.15 0.00 0.00 58.65 58.35 1n6m h GLN 330 Cb 0.17 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.63 1n6m h GLN 330 CO -0.02 0.89 -0.06 1.03 -2.65 0.00 0.00 178.83 178.02 1n6m h SER 331 N 0.77 0.47 -0.50 -0.69 0.87 -0.67 -2.45 113.55 111.35 1n6m h SER 331 Ca 0.13 -0.37 -0.00 0.00 -1.23 0.00 0.00 61.79 60.32 1n6m h SER 331 Cb 0.56 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 1n6m h SER 331 CO 0.03 0.74 0.30 -1.13 -0.53 0.00 0.00 176.83 176.24 1n6m h ASN 332 N 0.21 0.61 -0.64 6.23 -1.24 -0.80 -0.21 115.58 119.74 1n6m h ASN 332 Ca 0.06 -0.06 0.14 0.00 0.71 0.00 0.00 56.30 57.14 1n6m h ASN 332 Cb 0.53 -0.15 -0.11 0.00 0.73 0.00 0.00 38.32 39.32 1n6m h ASN 332 CO 0.03 0.49 0.02 -0.03 -1.29 0.00 0.00 177.43 176.64 1n6m h MET 333 N 0.67 0.13 -0.15 6.67 4.05 -1.25 1.04 114.93 126.09 1n6m h MET 333 Ca 0.18 -0.01 -0.15 0.00 -0.28 0.00 0.00 59.70 59.44 1n6m h MET 333 Cb 0.00 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.77 1n6m h MET 333 CO -0.03 0.08 -0.56 0.93 0.23 0.00 0.00 176.91 177.56 1n6m h GLU 334 N 0.13 0.45 -0.48 0.39 5.08 -1.09 -2.14 114.58 116.92 1n6m h GLU 334 Ca 0.34 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1n6m h GLU 334 Cb 0.56 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1n6m h GLU 334 CO -0.54 0.89 0.20 -0.09 -1.00 0.00 0.00 179.01 178.47 1n6m h ARG 335 N 0.34 0.71 -0.43 2.33 1.12 0.12 0.25 114.38 118.83 1n6m h ARG 335 Ca 0.00 -0.12 0.06 0.00 -1.11 0.00 0.00 59.98 58.81 1n6m h ARG 335 Cb 1.08 -0.12 -0.05 0.00 -0.01 0.00 0.00 29.97 30.87 1n6m h ARG 335 CO 0.10 0.63 0.11 -0.22 -3.11 0.00 0.00 179.97 177.48 1n6m h LYS 336 N 0.63 0.25 -0.57 0.20 3.64 0.12 0.15 116.57 120.99 1n6m h LYS 336 Ca 0.16 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.41 1n6m h LYS 336 Cb 0.18 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1n6m h LYS 336 CO -0.01 0.16 -0.08 1.49 -2.27 0.00 0.00 179.45 178.73 1n6m h GLU 337 N 0.25 1.05 -0.31 1.90 4.81 -0.69 -0.81 114.58 120.80 1n6m h GLU 337 Ca 0.20 -0.38 -0.04 0.00 -0.13 0.00 0.00 59.36 59.02 1n6m h GLU 337 Cb 0.23 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1n6m h GLU 337 CO -0.25 1.08 0.02 -0.07 -0.73 0.00 0.00 179.01 179.06 1n6m h LEU 338 N 0.94 0.42 -0.07 1.64 4.07 -0.13 -1.62 115.31 120.56 1n6m h LEU 338 Ca 0.15 -0.07 -0.02 0.00 0.08 0.00 0.00 57.88 58.02 1n6m h LEU 338 Cb 0.65 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 42.28 1n6m h LEU 338 CO 0.05 0.48 -0.04 -0.74 -1.08 0.00 0.00 178.44 177.10 1n6m h HIS 339 N 0.45 0.17 -0.80 1.13 2.76 -0.53 -3.02 115.15 115.30 1n6m h HIS 339 Ca 0.10 -0.04 0.10 0.00 -2.20 0.00 0.00 60.37 58.33 1n6m h HIS 339 Cb 0.27 -0.04 -0.06 0.00 1.55 0.00 0.00 27.41 29.13 1n6m h HIS 339 CO 0.01 0.54 0.52 -0.97 -1.30 0.00 0.00 177.93 176.73 1n6m h ASN 340 N -0.24 0.66 -0.57 3.26 -1.24 -0.70 -1.31 115.58 115.44 1n6m h ASN 340 Ca 0.01 0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.03 1n6m h ASN 340 Cb 0.50 -0.12 -0.03 0.00 0.73 0.00 0.00 38.32 39.40 1n6m h ASN 340 CO 0.01 0.39 0.31 0.74 -1.29 0.00 0.00 177.43 177.59 1n6m h THR 341 N 0.73 1.19 -0.59 -3.57 2.02 -1.24 -0.53 112.91 110.92 1n6m h THR 341 Ca 0.37 -0.50 -0.04 0.00 0.77 0.00 0.00 66.41 67.02 1n6m h THR 341 Cb 0.48 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 1n6m h THR 341 CO -0.15 0.21 0.21 0.58 0.37 0.00 0.00 175.52 176.74 1n6m h VAL 342 N 0.77 1.22 -0.45 3.16 2.07 -1.14 0.37 116.25 122.25 1n6m h VAL 342 Ca 0.20 -0.71 -0.09 0.00 0.82 0.00 0.00 66.70 66.92 1n6m h VAL 342 Cb 0.06 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1n6m h VAL 342 CO -0.03 0.28 -0.07 0.24 0.02 0.00 0.00 177.57 178.00 1n6m h MET 343 N 0.85 0.84 -0.61 1.57 2.07 -0.99 -2.53 114.93 116.14 1n6m h MET 343 Ca 0.20 -0.31 0.02 0.00 -2.07 0.00 0.00 59.70 57.54 1n6m h MET 343 Cb 0.21 -0.06 -0.03 0.00 -1.87 0.00 0.00 31.60 29.84 1n6m h MET 343 CO -0.01 0.93 0.39 -0.44 1.07 0.00 0.00 176.91 178.85 1n6m h ASP 344 N 0.68 0.66 0.55 1.22 3.45 -0.29 -0.36 116.42 122.34 1n6m h ASP 344 Ca 0.12 -0.01 -0.03 0.00 0.43 0.00 0.00 57.03 57.54 1n6m h ASP 344 Cb 0.60 -0.15 -0.00 0.00 -0.56 0.00 0.00 39.33 39.21 1n6m h ASP 344 CO 0.04 0.47 -0.16 -0.07 -1.57 0.00 0.00 179.24 177.95 1n6m h LEU 345 N 0.79 0.00 0.00 1.55 4.07 -0.79 -2.42 115.31 118.51 1n6m h LEU 345 Ca 0.23 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.19 1n6m h LEU 345 Cb -0.04 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.70 1n6m h LEU 345 CO -0.07 0.16 -1.37 0.54 -1.08 0.00 0.00 178.44 176.62 1n6m n ARG 346 N -3.55 0.60 0.00 1.13 1.74 -0.97 -5.05 116.66 110.56 1n6m n ARG 346 Ca -0.01 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1n6m n ARG 346 Cb 0.31 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 1n6m n ARG 346 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n6m n GLY 347 N 1.23 3.96 0.11 -0.13 0.00 -0.17 -4.91 105.19 105.28 1n6m n GLY 347 Ca -0.01 -1.20 0.13 0.00 0.00 0.00 0.00 46.02 44.94 1n6m n GLY 347 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1n6m n ASN 348 N 0.00 0.80 -3.64 1.61 3.02 -1.26 -4.47 115.26 111.32 1n6m n ASN 348 Ca 0.00 0.59 -0.27 0.00 -0.03 0.00 0.00 54.58 54.87 1n6m n ASN 348 Cb 0.00 -0.80 -0.17 0.00 -0.61 0.00 0.00 39.78 38.20 1n6m n ASN 348 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1n6m s ILE 349 N -3.14 0.10 -0.03 2.41 -1.16 -1.26 -0.07 121.20 118.04 1n6m s ILE 349 Ca 0.10 -0.37 0.06 0.00 -0.51 0.00 0.00 60.65 59.93 1n6m s ILE 349 Cb 0.12 -0.77 -0.02 0.00 0.61 0.00 0.00 42.46 42.40 1n6m s ILE 349 CO 0.57 -0.33 -0.21 -0.13 -2.81 0.00 0.00 174.94 172.02 1n6m s ARG 350 N 2.05 2.29 -0.10 3.50 0.52 -0.79 -4.99 118.95 121.42 1n6m s ARG 350 Ca 0.02 -0.84 0.01 0.00 -0.52 0.00 0.00 55.73 54.40 1n6m s ARG 350 Cb -0.16 -2.18 -0.02 0.00 0.52 0.00 0.00 34.95 33.10 1n6m s ARG 350 CO -0.13 0.57 -0.10 0.08 0.02 0.00 0.00 175.30 175.75 1n6m s VAL 351 N -0.63 3.38 0.35 3.52 1.01 -1.26 -2.29 120.40 124.49 1n6m s VAL 351 Ca 0.10 -0.57 0.09 0.00 0.00 0.00 0.00 61.98 61.59 1n6m s VAL 351 Cb -0.10 -2.40 -0.07 0.00 0.00 0.00 0.00 36.38 33.81 1n6m s VAL 351 CO -0.00 0.56 -0.07 -0.36 0.00 0.00 0.00 175.10 175.23 1n6m s PHE 352 N -0.27 2.37 -0.03 5.22 0.08 0.80 -1.88 117.98 124.28 1n6m s PHE 352 Ca 0.03 -0.56 0.02 0.00 0.12 0.00 0.00 56.93 56.54 1n6m s PHE 352 Cb -0.13 -1.42 0.01 0.00 -0.57 0.00 0.00 43.02 40.91 1n6m s PHE 352 CO 0.03 0.52 -0.08 0.00 -0.10 0.00 0.00 175.22 175.58 1n6m s ARG 354 N 0.31 0.36 -0.24 0.00 3.52 0.86 -0.80 118.95 122.96 1n6m s ARG 354 Ca -0.05 -0.88 -0.27 0.00 -0.13 0.00 0.00 55.73 54.40 1n6m s ARG 354 Cb -0.10 -1.26 0.00 0.00 -1.56 0.00 0.00 34.95 32.04 1n6m s ARG 354 CO 0.01 -1.10 0.93 0.96 -0.81 0.00 0.00 175.30 175.30 1n6m s ILE 355 N 1.66 4.75 0.48 4.11 -4.36 -1.12 -1.05 121.20 125.67 1n6m s ILE 355 Ca 0.13 1.77 -0.16 0.00 -0.26 0.00 0.00 60.65 62.13 1n6m s ILE 355 Cb -0.19 -4.22 -0.08 0.00 1.25 0.00 0.00 42.46 39.22 1n6m s ILE 355 CO -0.21 -0.15 0.94 0.00 0.24 0.00 0.00 174.94 175.76 1n6m s ARG 356 N 3.05 3.94 0.76 0.37 1.70 -0.43 -2.61 118.95 125.72 1n6m s ARG 356 Ca 0.39 0.87 -0.12 0.00 -0.47 0.00 0.00 55.73 56.40 1n6m s ARG 356 Cb -0.15 -2.19 0.05 0.00 -0.57 0.00 0.00 34.95 32.09 1n6m s ARG 356 CO 0.07 -0.20 1.13 -1.25 -1.08 0.00 0.00 175.30 173.97 1n6m s PRO 357 N -3.94 2.17 0.47 3.89 0.04 -1.26 -4.41 135.00 131.97 1n6m s PRO 357 Ca 0.58 1.40 -0.21 0.00 0.04 0.00 0.00 61.00 62.80 1n6m s PRO 357 Cb -0.10 -1.87 -0.08 0.00 0.04 0.00 0.00 34.50 32.49 1n6m s PRO 357 CO 0.30 -1.74 1.05 -1.25 0.04 0.00 0.00 177.00 175.40 1n6m s PRO 358 N -4.46 3.84 0.20 0.56 0.04 -1.26 -4.99 135.00 128.93 1n6m s PRO 358 Ca 0.66 1.42 -0.30 0.00 0.04 0.00 0.00 61.00 62.82 1n6m s PRO 358 Cb -0.21 -2.18 -0.08 0.00 0.04 0.00 0.00 34.50 32.07 1n6m s PRO 358 CO 0.50 -0.40 1.10 -0.48 0.04 0.00 0.00 177.00 177.76 1n6m s LEU 359 N -3.33 4.50 0.10 -3.56 -0.00 -1.26 -4.91 118.68 110.22 1n6m s LEU 359 Ca 0.66 2.13 0.04 0.00 -0.00 0.00 0.00 54.13 56.96 1n6m s LEU 359 Cb -0.18 -3.61 0.22 0.00 -0.00 0.00 0.00 46.19 42.62 1n6m s LEU 359 CO 0.22 -0.21 0.95 -0.62 -0.00 0.00 0.00 176.35 176.69 1n6m n GLU 360 N 2.14 0.03 -0.04 1.48 4.71 -1.26 -2.40 120.64 125.30 1n6m n GLU 360 Ca 0.02 0.38 -0.02 0.00 -0.01 0.00 0.00 57.16 57.53 1n6m n GLU 360 Cb 0.46 -1.82 -0.15 0.00 -1.01 0.00 0.00 31.44 28.92 1n6m n GLU 360 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1n6m n SER 361 N -1.53 0.21 -3.66 1.62 3.41 -1.26 -4.85 113.62 107.55 1n6m n SER 361 Ca -0.00 0.09 -0.28 0.00 -0.26 0.00 0.00 58.87 58.41 1n6m n SER 361 Cb 0.24 1.09 -0.16 0.00 -0.26 0.00 0.00 64.21 65.12 1n6m n SER 361 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1n6m s GLU 362 N -2.89 0.47 0.00 4.33 8.01 -1.01 -4.99 118.70 122.62 1n6m s GLU 362 Ca -0.08 -0.59 0.00 0.00 0.01 0.00 0.00 54.97 54.31 1n6m s GLU 362 Cb 0.09 -1.78 0.00 0.00 -4.31 0.00 0.00 34.13 28.13 1n6m s GLU 362 CO 0.85 -0.85 0.00 -0.85 0.01 0.00 0.00 175.26 174.42 1n6m n GLU 363 N 5.08 2.11 0.00 1.61 0.28 -1.26 -4.47 120.64 123.98 1n6m n GLU 363 Ca -0.06 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 56.97 1n6m n GLU 363 Cb 0.44 -0.83 0.19 0.00 1.43 0.00 0.00 31.44 32.68 1n6m n GLU 363 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1n6m n ASN 364 N -0.99 0.00 -3.97 -1.84 4.05 -1.26 -4.07 115.26 107.17 1n6m n ASN 364 Ca 0.00 -1.14 -0.43 0.00 0.45 0.00 0.00 54.58 53.46 1n6m n ASN 364 Cb 0.01 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.02 1n6m n ASN 364 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1n6m n ARG 365 N -0.65 3.51 0.00 1.20 1.74 -1.26 -4.93 116.66 116.27 1n6m n ARG 365 Ca 0.05 -3.51 0.00 0.00 -0.77 0.00 0.00 57.85 53.62 1n6m n ARG 365 Cb 0.02 -2.98 0.00 0.00 -1.02 0.00 0.00 32.46 28.48 1n6m n ARG 365 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1n6m n MET 366 N 4.43 0.00 -1.16 5.56 2.81 -1.26 -3.81 117.12 123.69 1n6m n MET 366 Ca 0.40 0.00 -0.34 0.00 -1.81 0.00 0.00 57.70 55.95 1n6m n MET 366 Cb 0.38 0.00 0.11 0.00 -0.71 0.00 0.00 33.22 33.00 1n6m n MET 366 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1n6m s THR 369 N -1.47 5.19 -0.05 0.00 2.01 0.21 -4.92 115.64 116.61 1n6m s THR 369 Ca 0.29 -1.19 -0.17 0.00 0.31 0.00 0.00 61.69 60.93 1n6m s THR 369 Cb -0.05 -4.16 -0.05 0.00 0.01 0.00 0.00 72.50 68.25 1n6m s THR 369 CO 0.24 -0.65 0.46 0.26 -0.69 0.00 0.00 174.62 174.24 1n6m s TRP 370 N 1.62 3.63 -0.03 4.92 0.52 -1.26 -1.89 118.94 126.46 1n6m s TRP 370 Ca 0.04 0.97 0.00 0.00 0.02 0.00 0.00 56.10 57.13 1n6m s TRP 370 Cb -0.26 -2.44 0.02 0.00 -1.15 0.00 0.00 33.47 29.64 1n6m s TRP 370 CO 0.06 0.40 -0.00 -0.08 0.02 0.00 0.00 176.95 177.34 1n6m s THR 371 N -0.23 0.17 -0.55 2.01 -1.32 -0.98 -5.03 115.64 109.72 1n6m s THR 371 Ca 0.25 0.07 -0.16 0.00 -1.21 0.00 0.00 61.69 60.64 1n6m s THR 371 Cb -0.16 -0.26 0.13 0.00 -1.51 0.00 0.00 72.50 70.70 1n6m s THR 371 CO 0.12 0.14 0.52 -0.31 -2.21 0.00 0.00 174.62 172.88 1n6m s TYR 372 N 0.93 3.24 -1.02 9.09 2.02 -1.26 -1.98 117.35 128.37 1n6m s TYR 372 Ca -0.09 -1.28 0.12 0.00 -0.37 0.00 0.00 57.07 55.45 1n6m s TYR 372 Cb -0.13 -3.81 0.52 0.00 -0.40 0.00 0.00 41.96 38.14 1n6m s TYR 372 CO -0.02 -1.04 1.38 0.72 -1.57 0.00 0.00 175.55 175.03 1n6m n HIS 373 N 5.30 0.00 0.00 2.71 8.25 -0.96 -4.87 115.22 125.65 1n6m n HIS 373 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 1n6m n HIS 373 Cb 0.40 -0.49 0.00 0.00 1.12 0.00 0.00 29.99 31.02 1n6m n HIS 373 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1n6m n ASP 374 N -1.49 0.00 -0.99 0.41 3.85 -1.22 -4.89 116.55 112.23 1n6m n ASP 374 Ca 0.03 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.11 1n6m n ASP 374 Cb 0.14 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.91 1n6m n ASP 374 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 1n6m n GLU 375 N -0.74 0.40 0.00 0.11 0.28 -1.26 -2.55 120.64 116.87 1n6m n GLU 375 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1n6m n GLU 375 Cb 0.00 -1.30 0.00 0.00 1.43 0.00 0.00 31.44 31.57 1n6m n GLU 375 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1n6m n SER 376 N 0.79 0.00 -4.71 -1.84 2.88 -1.26 -3.50 113.62 105.98 1n6m n SER 376 Ca 0.00 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.19 1n6m n SER 376 Cb 0.20 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.57 1n6m n SER 376 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1n6m s THR 377 N -1.00 4.76 0.03 2.46 2.01 -1.06 -0.70 115.64 122.15 1n6m s THR 377 Ca 0.00 -0.06 0.01 0.00 0.31 0.00 0.00 61.69 61.95 1n6m s THR 377 Cb 0.00 -3.07 -0.02 0.00 0.01 0.00 0.00 72.50 69.42 1n6m s THR 377 CO 0.00 0.56 -0.06 0.54 -0.69 0.00 0.00 174.62 174.97 1n6m s VAL 378 N -0.50 0.37 0.02 3.82 0.11 -0.18 -2.26 120.40 121.77 1n6m s VAL 378 Ca 0.10 -0.94 0.03 0.00 -2.93 0.00 0.00 61.98 58.24 1n6m s VAL 378 Cb -0.12 -0.46 -0.01 0.00 -1.53 0.00 0.00 36.38 34.26 1n6m s VAL 378 CO 0.02 -0.38 -0.08 -0.70 -3.33 0.00 0.00 175.10 170.63 1n6m s GLU 379 N -1.41 0.60 -0.05 1.54 2.12 -0.84 0.27 118.70 120.93 1n6m s GLU 379 Ca -0.11 -0.47 0.03 0.00 0.36 0.00 0.00 54.97 54.78 1n6m s GLU 379 Cb -0.09 -0.53 0.01 0.00 0.26 0.00 0.00 34.13 33.78 1n6m s GLU 379 CO -0.00 0.13 -0.14 -0.48 -0.54 0.00 0.00 175.26 174.23 1n6m s LEU 380 N -0.71 1.78 0.06 2.70 0.05 -0.42 -2.33 118.68 119.80 1n6m s LEU 380 Ca -0.01 -0.31 0.08 0.00 0.05 0.00 0.00 54.13 53.94 1n6m s LEU 380 Cb -0.05 -0.86 -0.03 0.00 -2.05 0.00 0.00 46.19 43.20 1n6m s LEU 380 CO 0.00 0.08 -0.22 -1.10 -0.55 0.00 0.00 176.35 174.56 1n6m s GLN 381 N 0.37 1.41 0.30 1.48 -0.21 -0.79 -4.48 119.66 117.73 1n6m s GLN 381 Ca -0.09 -1.06 -0.06 0.00 0.02 0.00 0.00 55.36 54.17 1n6m s GLN 381 Cb -0.13 -1.61 -0.06 0.00 1.00 0.00 0.00 33.01 32.22 1n6m s GLN 381 CO 0.03 0.40 0.58 -1.54 -2.12 0.00 0.00 175.29 172.64 1n6m s SER 382 N -1.42 6.48 -0.01 5.90 1.04 -1.26 0.67 113.70 125.09 1n6m s SER 382 Ca 0.09 0.80 0.05 0.00 0.48 0.00 0.00 55.95 57.36 1n6m s SER 382 Cb -0.09 -2.18 0.15 0.00 0.10 0.00 0.00 66.02 64.00 1n6m s SER 382 CO 0.03 -0.21 1.05 2.30 0.98 0.00 0.00 173.24 177.39 1n6m n ILE 383 N -0.89 0.30 -2.69 -1.02 -6.64 -1.26 -4.78 119.36 102.38 1n6m n ILE 383 Ca -0.01 -0.24 -0.43 0.00 -1.77 0.00 0.00 62.75 60.31 1n6m n ILE 383 Cb 0.54 -0.01 -0.03 0.00 -1.44 0.00 0.00 39.64 38.70 1n6m n ILE 383 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 1n6m s ASP 384 N -0.83 6.74 -0.89 7.28 -1.08 -1.26 -4.91 116.67 121.72 1n6m s ASP 384 Ca 0.11 0.67 -0.26 0.00 -0.52 0.00 0.00 52.55 52.55 1n6m s ASP 384 Cb 0.06 -2.51 -0.21 0.00 -1.46 0.00 0.00 42.92 38.80 1n6m s ASP 384 CO 0.07 -0.99 2.54 0.00 0.52 0.00 0.00 175.17 177.30 1n6m n ALA 385 N 7.15 0.53 -1.69 3.66 0.00 -1.26 -5.18 120.51 123.71 1n6m n ALA 385 Ca 0.10 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1n6m n ALA 385 Cb 0.48 -2.54 0.00 0.00 0.00 0.00 0.00 19.45 17.39 1n6m n ALA 385 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1n6m n GLN 386 N 8.12 -2.05 0.00 0.00 -0.06 -1.26 -5.25 117.38 116.89 1n6m n GLN 386 Ca 0.59 1.46 0.00 0.00 -2.00 0.00 0.00 57.00 57.05 1n6m n GLN 386 Cb 0.17 -1.91 0.00 0.00 -4.06 0.00 0.00 30.24 24.44 1n6m n GLN 386 CO 0.00 0.00 0.00 -1.33 -0.20 0.00 0.00 177.06 175.53 1n6m n MET 391 N 1.05 -1.15 0.00 3.69 2.81 -1.26 -5.11 117.12 117.16 1n6m n MET 391 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1n6m n MET 391 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 1n6m n MET 391 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1n6m n GLY 392 N 0.00 -2.57 2.71 3.03 0.00 -1.26 -4.99 105.19 102.11 1n6m n GLY 392 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1n6m n GLY 392 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1n6m n GLN 393 N -0.34 0.36 -3.11 1.61 6.02 -1.26 -5.13 117.38 115.53 1n6m n GLN 393 Ca 0.00 -2.77 -0.12 0.00 -0.01 0.00 0.00 57.00 54.09 1n6m n GLN 393 Cb 0.00 2.30 -0.04 0.00 1.02 0.00 0.00 30.24 33.52 1n6m n GLN 393 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1n6m s GLN 394 N -3.11 0.91 -0.07 -1.09 -1.52 -1.26 -5.09 119.66 108.43 1n6m s GLN 394 Ca 0.33 -1.22 0.02 0.00 -1.95 0.00 0.00 55.36 52.54 1n6m s GLN 394 Cb 0.01 -0.55 0.01 0.00 -0.22 0.00 0.00 33.01 32.27 1n6m s GLN 394 CO 0.23 -1.30 -0.13 -1.50 -0.25 0.00 0.00 175.29 172.34 1n6m s ILE 395 N 0.87 1.24 0.01 1.08 2.07 -1.26 -1.31 121.20 123.90 1n6m s ILE 395 Ca 0.27 -0.54 0.03 0.00 -1.41 0.00 0.00 60.65 59.00 1n6m s ILE 395 Cb -0.03 -1.12 -0.01 0.00 0.13 0.00 0.00 42.46 41.43 1n6m s ILE 395 CO -0.09 0.38 -0.11 -0.36 -1.91 0.00 0.00 174.94 172.85 1n6m s PHE 396 N 0.66 0.96 -0.11 3.50 0.40 0.14 -4.96 117.98 118.57 1n6m s PHE 396 Ca -0.14 -0.24 -0.06 0.00 -0.60 0.00 0.00 56.93 55.88 1n6m s PHE 396 Cb -0.16 -0.60 -0.04 0.00 0.51 0.00 0.00 43.02 42.73 1n6m s PHE 396 CO 0.04 -0.01 0.11 -1.12 0.70 0.00 0.00 175.22 174.94 1n6m s SER 397 N -0.57 6.14 0.24 1.36 0.01 -1.26 -1.01 113.70 118.60 1n6m s SER 397 Ca 0.02 0.39 0.02 0.00 1.31 0.00 0.00 55.95 57.70 1n6m s SER 397 Cb -0.05 -1.94 -0.01 0.00 0.21 0.00 0.00 66.02 64.22 1n6m s SER 397 CO 0.00 0.40 0.07 0.49 0.41 0.00 0.00 173.24 174.61 1n6m n PHE 398 N 2.06 0.14 0.61 2.43 3.01 0.12 -4.76 117.46 121.08 1n6m n PHE 398 Ca -0.20 -1.48 0.12 0.00 1.01 0.00 0.00 57.45 56.90 1n6m n PHE 398 Cb 0.55 -0.02 0.17 0.00 -0.01 0.00 0.00 39.48 40.16 1n6m n PHE 398 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1n6m n ASP 399 N -1.69 0.67 -3.63 4.37 8.00 -0.79 -4.79 116.55 118.69 1n6m n ASP 399 Ca -0.04 0.07 -0.05 0.00 0.71 0.00 0.00 54.79 55.47 1n6m n ASP 399 Cb 0.35 0.21 -0.06 0.00 -0.02 0.00 0.00 41.12 41.60 1n6m n ASP 399 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1n6m s GLN 400 N -3.15 0.22 -0.09 -1.24 2.00 -1.26 -4.94 119.66 111.20 1n6m s GLN 400 Ca 0.07 0.16 0.03 0.00 -2.00 0.00 0.00 55.36 53.62 1n6m s GLN 400 Cb 0.14 0.10 0.00 0.00 0.80 0.00 0.00 33.01 34.06 1n6m s GLN 400 CO 0.72 -0.05 -0.21 0.08 -0.50 0.00 0.00 175.29 175.34 1n6m s VAL 401 N -0.38 1.81 -0.15 1.34 1.01 -1.23 -2.90 120.40 119.91 1n6m s VAL 401 Ca 0.06 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 61.14 1n6m s VAL 401 Cb -0.03 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 1n6m s VAL 401 CO -0.09 0.51 -0.08 -0.36 0.00 0.00 0.00 175.10 175.07 1n6m s PHE 402 N 0.45 2.92 0.63 5.22 0.08 0.02 -4.90 117.98 122.41 1n6m s PHE 402 Ca -0.17 -0.50 0.05 0.00 0.12 0.00 0.00 56.93 56.43 1n6m s PHE 402 Cb -0.17 -1.91 0.10 0.00 -0.57 0.00 0.00 43.02 40.47 1n6m s PHE 402 CO 0.07 -0.15 0.88 -3.38 -0.10 0.00 0.00 175.22 172.54 1n6m s HIS 403 N 0.42 1.49 -1.25 0.36 -3.43 -1.26 -2.79 115.29 108.83 1n6m s HIS 403 Ca -0.07 -0.54 0.00 0.00 -0.80 0.00 0.00 55.06 53.66 1n6m s HIS 403 Cb -0.15 -2.55 0.00 0.00 -1.43 0.00 0.00 32.58 28.45 1n6m s HIS 403 CO 0.04 -1.39 0.59 -2.30 -2.00 0.00 0.00 174.74 169.68 1n6m n PRO 404 N -2.49 0.00 0.00 -0.38 -0.02 -1.07 -1.19 135.00 129.84 1n6m n PRO 404 Ca 0.15 0.16 0.03 0.00 -2.02 0.00 0.00 63.50 61.82 1n6m n PRO 404 Cb 0.61 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.55 1n6m n PRO 404 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1n6m n LEU 405 N -1.09 1.07 -4.69 2.45 7.99 -1.26 -4.13 117.00 117.33 1n6m n LEU 405 Ca 0.00 -0.80 -0.42 0.00 -0.01 0.00 0.00 56.01 54.78 1n6m n LEU 405 Cb 0.04 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.33 1n6m n LEU 405 CO 0.00 0.22 1.25 -0.44 -1.51 0.00 0.00 177.39 176.91 1n6m s SER 406 N -0.99 6.69 0.61 -1.43 0.01 -0.33 -4.97 113.70 113.29 1n6m s SER 406 Ca 0.06 2.36 -0.12 0.00 1.31 0.00 0.00 55.95 59.56 1n6m s SER 406 Cb 0.05 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.68 1n6m s SER 406 CO 0.15 -0.82 1.03 -0.94 0.41 0.00 0.00 173.24 173.07 1n6m s SER 407 N 2.15 6.20 0.24 2.44 1.04 -1.26 -4.90 113.70 119.61 1n6m s SER 407 Ca 0.70 1.46 -0.05 0.00 0.48 0.00 0.00 55.95 58.54 1n6m s SER 407 Cb -0.37 -2.48 0.42 0.00 0.10 0.00 0.00 66.02 63.69 1n6m s SER 407 CO 0.30 -0.89 1.73 1.56 0.98 0.00 0.00 173.24 176.93 1n6m h GLN 408 N -0.17 0.42 -0.78 4.02 1.08 -1.93 0.57 115.11 118.31 1n6m h GLN 408 Ca -0.44 -0.03 0.17 0.00 -1.45 0.00 0.00 58.65 56.91 1n6m h GLN 408 Cb 1.19 -0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 28.48 1n6m h GLN 408 CO 0.61 0.28 0.53 1.03 -0.95 0.00 0.00 178.83 180.33 1n6m h SER 409 N 0.43 0.32 0.04 1.46 0.87 -1.92 -0.44 113.55 114.30 1n6m h SER 409 Ca 0.39 0.02 -0.15 0.00 -1.23 0.00 0.00 61.79 60.83 1n6m h SER 409 Cb 0.57 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 1n6m h SER 409 CO -0.39 0.15 -0.50 0.44 -0.53 0.00 0.00 176.83 176.00 1n6m h ASP 410 N 0.33 0.57 0.12 6.23 3.45 -0.22 -2.82 116.42 124.09 1n6m h ASP 410 Ca 0.39 -0.29 -0.26 0.00 0.43 0.00 0.00 57.03 57.30 1n6m h ASP 410 Cb 1.03 -0.16 0.02 0.00 -0.56 0.00 0.00 39.33 39.66 1n6m h ASP 410 CO -0.11 0.98 -1.03 0.40 -1.57 0.00 0.00 179.24 177.90 1n6m h ILE 411 N 0.41 1.32 -0.82 0.35 5.03 -0.79 -3.11 117.51 119.90 1n6m h ILE 411 Ca 0.02 -2.33 0.08 0.00 -0.12 0.00 0.00 64.86 62.50 1n6m h ILE 411 Cb 1.03 2.42 -0.05 0.00 -3.03 0.00 0.00 36.82 37.18 1n6m h ILE 411 CO 0.09 0.71 0.53 0.15 -0.68 0.00 0.00 178.15 178.96 1n6m h PHE 412 N 0.33 0.87 0.00 1.37 3.57 -1.23 0.12 116.94 121.97 1n6m h PHE 412 Ca -0.12 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.40 1n6m h PHE 412 Cb 1.68 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 40.14 1n6m h PHE 412 CO 0.09 0.43 0.14 0.39 -2.23 0.00 0.00 178.31 177.14 1n6m n GLU 413 N -4.50 0.10 0.09 1.11 1.02 -1.07 0.13 120.64 117.51 1n6m n GLU 413 Ca 0.13 0.57 0.12 0.00 -0.02 0.00 0.00 57.16 57.96 1n6m n GLU 413 Cb 0.26 -1.96 0.04 0.00 -0.02 0.00 0.00 31.44 29.76 1n6m n GLU 413 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1n6m n MET 414 N -2.04 0.51 -0.09 3.49 2.81 0.42 -4.40 117.12 117.82 1n6m n MET 414 Ca -0.01 0.10 -0.11 0.00 -1.81 0.00 0.00 57.70 55.87 1n6m n MET 414 Cb 0.17 -1.77 -0.11 0.00 -0.71 0.00 0.00 33.22 30.79 1n6m n MET 414 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1n6m n VAL 415 N -2.48 1.12 -0.30 2.03 0.31 0.34 -4.67 118.33 114.67 1n6m n VAL 415 Ca 0.01 -0.57 0.09 0.00 -0.01 0.00 0.00 64.34 63.86 1n6m n VAL 415 Cb 0.51 -0.88 0.21 0.00 -0.91 0.00 0.00 33.84 32.78 1n6m n VAL 415 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1n6m h SER 416 N 0.00 -0.47 -0.58 4.52 4.64 -0.85 0.21 113.55 121.03 1n6m h SER 416 Ca -0.44 0.24 0.15 0.00 -0.47 0.00 0.00 61.79 61.28 1n6m h SER 416 Cb 1.85 0.43 -0.03 0.00 -0.31 0.00 0.00 62.40 64.34 1n6m h SER 416 CO -0.02 -0.26 0.41 -0.65 -0.87 0.00 0.00 176.83 175.44 1n6m h PRO 417 N 0.06 0.08 0.00 4.77 0.11 -1.84 0.04 132.00 135.22 1n6m h PRO 417 Ca 0.50 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.49 1n6m h PRO 417 Cb 0.93 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.00 1n6m h PRO 417 CO -0.81 0.05 -0.51 -0.07 -0.21 0.00 0.00 178.00 176.46 1n6m h LEU 418 N 0.08 0.00 -1.71 2.35 3.38 -0.87 -2.79 115.31 115.75 1n6m h LEU 418 Ca 0.28 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 1n6m h LEU 418 Cb 0.99 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1n6m h LEU 418 CO -0.03 0.51 -0.03 0.40 0.09 0.00 0.00 178.44 179.38 1n6m h ILE 419 N 0.00 1.09 -0.23 1.22 1.08 -0.90 -1.17 117.51 118.59 1n6m h ILE 419 Ca -0.01 -0.36 -0.15 0.00 -0.39 0.00 0.00 64.86 63.95 1n6m h ILE 419 Cb 1.15 1.06 0.00 0.00 -3.07 0.00 0.00 36.82 35.96 1n6m h ILE 419 CO 0.07 0.11 -0.45 -0.61 -0.69 0.00 0.00 178.15 176.58 1n6m h GLN 420 N 0.13 0.72 -0.95 2.37 5.75 -1.52 -2.70 115.11 118.92 1n6m h GLN 420 Ca 0.03 -0.46 0.02 0.00 -0.15 0.00 0.00 58.65 58.09 1n6m h GLN 420 Cb 0.16 0.06 -0.05 0.00 1.07 0.00 0.00 27.48 28.71 1n6m h GLN 420 CO 0.01 1.08 0.63 0.77 -2.65 0.00 0.00 178.83 178.67 1n6m h SER 421 N 0.44 1.08 -0.12 -0.69 0.02 -1.25 -0.22 113.55 112.82 1n6m h SER 421 Ca 0.01 -0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.85 1n6m h SER 421 Cb 1.06 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.32 1n6m h SER 421 CO 0.10 0.77 -0.18 0.00 -1.14 0.00 0.00 176.83 176.38 1n6m h ALA 422 N 1.41 1.16 0.00 3.77 0.00 -1.19 0.28 119.26 124.69 1n6m h ALA 422 Ca 0.36 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1n6m h ALA 422 Cb -0.11 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1n6m h ALA 422 CO -0.09 0.53 -0.15 -0.07 0.00 0.00 0.00 179.25 179.47 1n6m h LEU 423 N 0.46 0.00 -2.21 0.00 3.38 -1.01 -2.59 115.31 113.34 1n6m h LEU 423 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1n6m h LEU 423 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1n6m h LEU 423 CO 0.04 0.15 0.00 0.47 0.09 0.00 0.00 178.44 179.19 1n6m n ASP 424 N -3.23 3.31 0.00 -0.43 8.00 -0.17 -4.91 116.55 119.13 1n6m n ASP 424 Ca 0.01 -2.25 0.00 0.00 0.71 0.00 0.00 54.79 53.27 1n6m n ASP 424 Cb 0.46 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 1n6m n ASP 424 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n6m n GLY 425 N 0.97 0.73 3.82 0.44 0.00 -0.98 -4.92 105.19 105.24 1n6m n GLY 425 Ca 0.18 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 1n6m n GLY 425 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n6m s TYR 426 N -2.00 3.15 -0.12 1.61 2.02 0.01 -4.35 117.35 117.68 1n6m s TYR 426 Ca 0.00 -0.05 -0.07 0.00 -0.37 0.00 0.00 57.07 56.59 1n6m s TYR 426 Cb 0.00 -1.47 -0.04 0.00 -0.40 0.00 0.00 41.96 40.05 1n6m s TYR 426 CO 0.00 0.52 0.12 -0.80 -1.57 0.00 0.00 175.55 173.82 1n6m s ASN 427 N -3.40 6.23 0.07 2.29 0.01 -1.26 -1.83 114.94 117.04 1n6m s ASN 427 Ca 0.32 0.42 0.07 0.00 -0.71 0.00 0.00 52.86 52.95 1n6m s ASN 427 Cb -0.09 -2.00 -0.03 0.00 0.41 0.00 0.00 41.25 39.54 1n6m s ASN 427 CO 0.24 0.39 -0.19 -0.63 -1.51 0.00 0.00 177.10 175.40 1n6m s ILE 428 N -0.93 1.55 -0.06 0.60 1.09 0.11 -1.86 121.20 121.70 1n6m s ILE 428 Ca 0.14 -1.31 0.02 0.00 -1.10 0.00 0.00 60.65 58.40 1n6m s ILE 428 Cb -0.12 -1.39 0.02 0.00 -1.06 0.00 0.00 42.46 39.91 1n6m s ILE 428 CO 0.03 0.04 -0.09 0.00 -0.10 0.00 0.00 174.94 174.82 1n6m s ILE 430 N 0.86 1.38 0.21 0.00 1.01 0.48 -0.59 121.20 124.54 1n6m s ILE 430 Ca -0.11 -0.96 0.06 0.00 0.00 0.00 0.00 60.65 59.63 1n6m s ILE 430 Cb -0.15 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.70 1n6m s ILE 430 CO 0.01 0.02 0.19 -0.36 0.00 0.00 0.00 174.94 174.81 1n6m s PHE 431 N 1.49 3.18 -0.33 3.97 0.08 -0.58 -0.26 117.98 125.53 1n6m s PHE 431 Ca -0.03 -0.05 -0.00 0.00 0.12 0.00 0.00 56.93 56.97 1n6m s PHE 431 Cb -0.17 -1.48 0.11 0.00 -0.57 0.00 0.00 43.02 40.91 1n6m s PHE 431 CO -0.07 0.51 0.13 0.00 -0.10 0.00 0.00 175.22 175.69 1n6m s ALA 432 N -1.94 1.60 -0.06 5.36 0.00 -0.97 -1.19 121.76 124.56 1n6m s ALA 432 Ca 0.32 -1.84 -0.04 0.00 0.00 0.00 0.00 51.96 50.41 1n6m s ALA 432 Cb -0.09 -1.67 -0.04 0.00 0.00 0.00 0.00 23.12 21.33 1n6m s ALA 432 CO 0.25 -1.76 0.12 -0.47 0.00 0.00 0.00 175.76 173.90 1n6m s TYR 433 N 1.37 3.47 0.00 0.00 6.14 -0.47 -3.14 117.35 124.72 1n6m s TYR 433 Ca 0.12 0.38 0.00 0.00 0.64 0.00 0.00 57.07 58.20 1n6m s TYR 433 Cb -0.19 -1.85 0.00 0.00 0.42 0.00 0.00 41.96 40.34 1n6m s TYR 433 CO -0.19 0.64 0.00 0.41 0.64 0.00 0.00 175.55 177.05 1n6m n GLY 434 N 1.56 2.85 3.75 8.97 0.00 -1.26 -1.16 105.19 119.91 1n6m n GLY 434 Ca -0.16 -1.36 -0.31 0.00 0.00 0.00 0.00 46.02 44.19 1n6m n GLY 434 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1n6m s GLN 435 N -2.09 2.12 0.36 1.61 -2.07 -1.26 -2.51 119.66 115.81 1n6m s GLN 435 Ca 0.00 1.26 -0.28 0.00 -1.82 0.00 0.00 55.36 54.51 1n6m s GLN 435 Cb 0.00 -1.88 -0.11 0.00 -1.09 0.00 0.00 33.01 29.93 1n6m s GLN 435 CO 0.00 -1.76 1.46 2.41 -1.32 0.00 0.00 175.29 176.08 1n6m n THR 436 N -3.51 1.85 -0.23 3.63 -1.04 -1.26 -2.05 114.28 111.68 1n6m n THR 436 Ca 0.10 -0.46 0.00 0.00 -2.04 0.00 0.00 64.05 61.64 1n6m n THR 436 Cb 0.53 -1.88 0.00 0.00 -1.82 0.00 0.00 70.33 67.16 1n6m n THR 436 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1n6m n GLY 437 N 0.77 1.95 0.13 3.41 0.00 -1.26 -4.89 105.19 105.31 1n6m n GLY 437 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 1n6m n GLY 437 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1n6m h SER 438 N 0.00 0.00 0.00 1.61 4.64 -1.74 -3.46 113.55 114.59 1n6m h SER 438 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n6m h SER 438 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1n6m h SER 438 CO 0.00 0.63 0.00 0.61 -0.87 0.00 0.00 176.83 177.20 1n6m n GLY 439 N 0.67 0.36 0.01 -0.77 0.00 -1.26 -3.64 105.19 100.56 1n6m n GLY 439 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.01 1n6m n GLY 439 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n6m h LYS 440 N 0.00 -0.00 -0.84 1.61 1.57 -1.88 -1.38 116.57 115.64 1n6m h LYS 440 Ca 0.00 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 1n6m h LYS 440 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 1n6m h LYS 440 CO 0.00 -0.00 0.51 1.15 -0.57 0.00 0.00 179.45 180.54 1n6m h THR 441 N -0.00 1.02 0.00 -0.16 2.02 -1.94 -0.65 112.91 113.19 1n6m h THR 441 Ca 0.00 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 66.84 1n6m h THR 441 Cb 0.02 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.43 1n6m h THR 441 CO -0.03 0.17 -0.12 0.22 0.37 0.00 0.00 175.52 176.13 1n6m h TYR 442 N 0.93 0.00 0.02 3.16 5.03 -1.79 -1.88 116.97 122.44 1n6m h TYR 442 Ca 0.37 0.00 -0.05 0.00 2.58 0.00 0.00 58.73 61.63 1n6m h TYR 442 Cb 0.20 0.00 0.01 0.00 1.55 0.00 0.00 36.73 38.49 1n6m h TYR 442 CO -0.04 0.12 -0.22 1.15 -1.32 0.00 0.00 178.16 177.85 1n6m h THR 443 N 0.00 1.61 0.29 1.81 2.02 0.00 -2.71 112.91 115.94 1n6m h THR 443 Ca -0.00 -2.10 -0.01 0.00 0.77 0.00 0.00 66.41 65.07 1n6m h THR 443 Cb 0.27 2.98 0.00 0.00 -1.74 0.00 0.00 68.15 69.67 1n6m h THR 443 CO 0.02 0.56 -0.14 0.24 0.37 0.00 0.00 175.52 176.57 1n6m h MET 444 N -0.64 -0.37 0.01 6.66 2.86 -1.34 -1.13 114.93 120.98 1n6m h MET 444 Ca -0.03 0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1n6m h MET 444 Cb 1.05 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.79 1n6m h MET 444 CO 0.04 -0.25 -0.01 -0.44 1.06 0.00 0.00 176.91 177.32 1n6m h ASP 445 N -0.76 -0.01 0.00 1.22 3.32 -1.57 0.21 116.42 118.83 1n6m h ASP 445 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1n6m h ASP 445 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1n6m h ASP 445 CO 0.06 0.43 0.00 0.61 -1.72 0.00 0.00 179.24 178.63 1n6m n GLY 446 N 1.76 -0.01 3.00 2.75 0.00 -0.98 -0.04 105.19 111.67 1n6m n GLY 446 Ca -0.00 -1.74 -0.12 0.00 0.00 0.00 0.00 46.02 44.16 1n6m n GLY 446 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n6m s VAL 447 N 0.00 0.01 0.45 1.61 0.11 -0.59 -4.75 120.40 117.24 1n6m s VAL 447 Ca 0.00 -0.06 0.33 0.00 -2.93 0.00 0.00 61.98 59.32 1n6m s VAL 447 Cb 0.00 -0.19 0.52 0.00 -1.53 0.00 0.00 36.38 35.18 1n6m s VAL 447 CO 0.00 -0.03 1.59 1.55 -3.33 0.00 0.00 175.10 174.88 1n6m h PRO 448 N 5.83 0.02 -0.57 1.54 0.13 -2.00 0.92 132.00 137.88 1n6m h PRO 448 Ca -0.25 -0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.81 1n6m h PRO 448 Cb 1.20 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1n6m h PRO 448 CO 0.43 0.02 0.07 0.93 -0.23 0.00 0.00 178.00 179.22 1n6m h GLU 449 N 0.02 0.92 -2.00 0.86 5.08 -2.02 -3.40 114.58 114.04 1n6m h GLU 449 Ca 0.87 -0.23 -0.24 0.00 -1.00 0.00 0.00 59.36 58.76 1n6m h GLU 449 Cb 2.85 -0.12 -0.31 0.00 0.50 0.00 0.00 28.75 31.67 1n6m h GLU 449 CO -0.42 0.87 -0.56 0.45 -1.00 0.00 0.00 179.01 178.34 1n6m s SER 450 N -6.58 0.87 0.61 1.42 0.15 0.32 -5.17 113.70 105.32 1n6m s SER 450 Ca -0.10 -0.30 -0.15 0.00 0.70 0.00 0.00 55.95 56.09 1n6m s SER 450 Cb 0.15 0.83 -0.03 0.00 -1.71 0.00 0.00 66.02 65.26 1n6m s SER 450 CO 0.82 -0.35 1.06 0.68 1.20 0.00 0.00 173.24 176.66 1n6m s VAL 451 N 2.46 3.80 0.00 4.45 -7.23 -1.09 -1.54 120.40 121.26 1n6m s VAL 451 Ca 0.10 0.81 0.00 0.00 -1.81 0.00 0.00 61.98 61.08 1n6m s VAL 451 Cb -0.14 -3.36 0.00 0.00 0.56 0.00 0.00 36.38 33.44 1n6m s VAL 451 CO -0.25 -0.54 0.00 0.61 -0.31 0.00 0.00 175.10 174.61 1n6m n GLY 452 N -1.09 1.53 0.32 2.32 0.00 0.94 -4.77 105.19 104.44 1n6m n GLY 452 Ca 0.09 -1.99 -0.14 0.00 0.00 0.00 0.00 46.02 43.97 1n6m n GLY 452 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1n6m h VAL 453 N -0.02 0.38 0.38 1.61 2.07 0.38 -2.59 116.25 118.46 1n6m h VAL 453 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1n6m h VAL 453 Cb 0.00 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 1n6m h VAL 453 CO 0.00 0.00 -0.38 0.40 0.02 0.00 0.00 177.57 177.61 1n6m h ILE 454 N -0.61 0.22 -0.90 4.57 2.04 -0.97 0.27 117.51 122.14 1n6m h ILE 454 Ca -0.01 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.96 1n6m h ILE 454 Cb 0.56 0.22 -0.07 0.00 -0.74 0.00 0.00 36.82 36.80 1n6m h ILE 454 CO -0.07 0.00 0.58 -0.65 0.00 0.00 0.00 178.15 178.01 1n6m h PRO 455 N -0.78 0.83 -0.08 2.37 0.11 -1.73 -0.81 132.00 131.91 1n6m h PRO 455 Ca -0.03 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.94 1n6m h PRO 455 Cb 0.70 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 1n6m h PRO 455 CO -0.07 0.55 -0.39 0.00 -0.21 0.00 0.00 178.00 177.88 1n6m h ARG 456 N 0.85 0.17 -0.51 1.05 3.08 -1.14 -2.70 114.38 115.18 1n6m h ARG 456 Ca 0.43 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 60.30 1n6m h ARG 456 Cb 0.48 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 1n6m h ARG 456 CO -0.19 0.54 -0.07 1.15 -1.07 0.00 0.00 179.97 180.33 1n6m h THR 457 N 0.14 1.27 -0.75 2.04 2.02 0.52 -1.83 112.91 116.32 1n6m h THR 457 Ca 0.01 -1.20 -0.06 0.00 0.77 0.00 0.00 66.41 65.94 1n6m h THR 457 Cb 0.76 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 68.14 1n6m h THR 457 CO 0.06 0.42 0.25 0.58 0.37 0.00 0.00 175.52 177.20 1n6m h VAL 458 N 0.82 1.26 -0.51 3.16 2.07 -1.23 0.61 116.25 122.43 1n6m h VAL 458 Ca 0.14 -0.88 -0.08 0.00 0.82 0.00 0.00 66.70 66.69 1n6m h VAL 458 Cb 0.62 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1n6m h VAL 458 CO 0.04 0.35 -0.01 0.44 0.02 0.00 0.00 177.57 178.41 1n6m h ASP 459 N 1.10 0.83 -0.06 0.57 3.32 -1.29 -2.19 116.42 118.70 1n6m h ASP 459 Ca 0.24 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1n6m h ASP 459 Cb 0.28 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 1n6m h ASP 459 CO -0.01 0.90 -0.02 0.25 -1.72 0.00 0.00 179.24 178.64 1n6m h LEU 460 N 0.79 0.12 -0.09 1.55 5.85 -0.55 -2.50 115.31 120.49 1n6m h LEU 460 Ca 0.15 -0.38 0.02 0.00 0.84 0.00 0.00 57.88 58.50 1n6m h LEU 460 Cb 0.50 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 1n6m h LEU 460 CO 0.02 0.48 -0.27 -0.07 -0.34 0.00 0.00 178.44 178.27 1n6m h LEU 461 N -0.23 -0.86 -1.50 2.25 -0.00 0.36 0.18 115.31 115.51 1n6m h LEU 461 Ca 0.02 0.10 0.11 0.00 -0.00 0.00 0.00 57.88 58.11 1n6m h LEU 461 Cb 0.43 0.34 -0.05 0.00 -0.00 0.00 0.00 40.66 41.38 1n6m h LEU 461 CO 0.01 -0.23 0.48 -0.26 -0.00 0.00 0.00 178.44 178.44 1n6m h PHE 462 N -0.27 0.59 -0.38 1.13 0.04 -1.47 0.36 116.94 116.94 1n6m h PHE 462 Ca 0.02 0.02 -0.14 0.00 2.80 0.00 0.00 57.97 60.67 1n6m h PHE 462 Cb 0.33 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 1n6m h PHE 462 CO -0.54 0.26 -0.30 -0.44 -0.60 0.00 0.00 178.31 176.69 1n6m h ASP 463 N 0.53 0.92 0.29 2.17 3.45 -0.94 -0.21 116.42 122.62 1n6m h ASP 463 Ca 0.34 -0.45 -0.01 0.00 0.43 0.00 0.00 57.03 57.34 1n6m h ASP 463 Cb 0.61 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 39.12 1n6m h ASP 463 CO -0.12 1.17 -0.14 0.28 -1.57 0.00 0.00 179.24 178.86 1n6m h SER 464 N 0.67 -0.33 -0.71 6.45 0.02 -0.08 -2.41 113.55 117.17 1n6m h SER 464 Ca 0.07 -0.20 0.15 0.00 -0.84 0.00 0.00 61.79 60.97 1n6m h SER 464 Cb 0.88 0.08 -0.11 0.00 0.14 0.00 0.00 62.40 63.39 1n6m h SER 464 CO 0.08 0.08 0.13 0.40 -1.14 0.00 0.00 176.83 176.38 1n6m h ILE 465 N -0.79 0.50 -0.20 3.27 2.04 -0.35 0.15 117.51 122.13 1n6m h ILE 465 Ca -0.04 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 65.78 1n6m h ILE 465 Cb 0.51 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 1n6m h ILE 465 CO 0.06 0.04 -0.05 -0.09 0.00 0.00 0.00 178.15 178.11 1n6m h ARG 466 N 0.23 -0.00 -0.53 2.37 2.43 -0.98 -2.66 114.38 115.23 1n6m h ARG 466 Ca 0.40 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.55 1n6m h ARG 466 Cb 0.67 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 1n6m h ARG 466 CO -0.52 -0.00 0.27 0.78 -1.51 0.00 0.00 179.97 178.99 1n6m h GLY 467 N -0.00 0.81 -0.27 2.80 0.00 -0.51 -2.77 103.07 103.13 1n6m h GLY 467 Ca 0.10 -0.39 0.33 0.00 0.00 0.00 0.00 47.33 47.36 1n6m h GLY 467 CO -0.21 0.37 0.81 -0.97 0.00 0.00 0.00 176.54 176.54 1n6m h TYR 468 N 0.72 0.06 -0.99 5.60 0.05 -0.44 0.29 116.97 122.26 1n6m h TYR 468 Ca 0.19 0.00 0.13 0.00 0.05 0.00 0.00 58.73 59.10 1n6m h TYR 468 Cb 0.09 -0.02 -0.08 0.00 1.01 0.00 0.00 36.73 37.73 1n6m h TYR 468 CO -0.01 0.00 0.62 0.00 -1.05 0.00 0.00 178.16 177.73 1n6m h ARG 469 N 0.03 0.91 0.00 4.88 3.08 -1.33 0.15 114.38 122.11 1n6m h ARG 469 Ca 0.55 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.54 1n6m h ARG 469 Cb 2.12 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 31.97 1n6m h ARG 469 CO -0.03 0.60 0.00 0.09 -1.07 0.00 0.00 179.97 179.56 1n6m n ASN 470 N -4.62 0.00 -0.14 7.04 3.02 0.10 -0.37 115.26 120.29 1n6m n ASN 470 Ca 0.19 0.15 0.05 0.00 -0.03 0.00 0.00 54.58 54.94 1n6m n ASN 470 Cb 0.39 -0.21 -0.03 0.00 -0.61 0.00 0.00 39.78 39.32 1n6m n ASN 470 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1n6m n LEU 471 N -1.21 0.92 0.00 3.41 4.32 0.51 -4.99 117.00 119.96 1n6m n LEU 471 Ca 0.02 -0.65 0.00 0.00 -0.02 0.00 0.00 56.01 55.36 1n6m n LEU 471 Cb 0.02 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.82 1n6m n LEU 471 CO 0.03 0.20 0.00 0.61 -1.22 0.00 0.00 177.39 177.00 1n6m n GLY 472 N 1.07 0.86 3.77 -0.72 0.00 0.50 -4.99 105.19 105.68 1n6m n GLY 472 Ca 0.03 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 1n6m n GLY 472 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1n6m s TRP 473 N -2.00 3.48 -0.28 1.61 0.52 -1.16 -4.01 118.94 117.11 1n6m s TRP 473 Ca 0.00 0.44 -0.02 0.00 0.02 0.00 0.00 56.10 56.54 1n6m s TRP 473 Cb 0.00 -2.13 0.04 0.00 -1.15 0.00 0.00 33.47 30.23 1n6m s TRP 473 CO 0.00 0.41 -0.03 -2.00 0.02 0.00 0.00 176.95 175.36 1n6m s GLU 474 N -0.03 2.65 0.15 4.98 2.56 0.13 -3.62 118.70 125.51 1n6m s GLU 474 Ca 0.11 -1.11 -0.03 0.00 0.00 0.00 0.00 54.97 53.94 1n6m s GLU 474 Cb -0.12 -3.10 -0.05 0.00 2.00 0.00 0.00 34.13 32.87 1n6m s GLU 474 CO 0.01 -0.51 0.35 0.71 -0.56 0.00 0.00 175.26 175.26 1n6m s TYR 475 N 1.30 3.48 -0.02 5.30 2.02 -1.26 -1.01 117.35 127.16 1n6m s TYR 475 Ca -0.02 0.44 0.01 0.00 -0.37 0.00 0.00 57.07 57.13 1n6m s TYR 475 Cb -0.18 -1.92 0.01 0.00 -0.40 0.00 0.00 41.96 39.47 1n6m s TYR 475 CO -0.02 0.44 -0.03 -2.00 -1.57 0.00 0.00 175.55 172.37 1n6m s GLU 476 N -2.83 0.41 -0.18 -0.62 2.12 -0.42 -4.98 118.70 112.20 1n6m s GLU 476 Ca 0.39 -0.07 -0.04 0.00 0.36 0.00 0.00 54.97 55.61 1n6m s GLU 476 Cb -0.12 -0.46 -0.02 0.00 0.26 0.00 0.00 34.13 33.79 1n6m s GLU 476 CO 0.27 -0.01 -0.02 0.42 -0.54 0.00 0.00 175.26 175.37 1n6m s ILE 477 N 0.41 3.86 -0.33 -3.70 1.01 -1.26 -0.97 121.20 120.22 1n6m s ILE 477 Ca -0.04 -0.36 -0.11 0.00 0.00 0.00 0.00 60.65 60.14 1n6m s ILE 477 Cb -0.08 -2.72 -0.01 0.00 0.01 0.00 0.00 42.46 39.67 1n6m s ILE 477 CO -0.01 0.46 0.19 -0.54 0.00 0.00 0.00 174.94 175.05 1n6m s LYS 478 N 0.72 3.38 0.02 2.79 3.01 -0.60 -1.00 119.74 128.07 1n6m s LYS 478 Ca -0.01 -0.70 -0.01 0.00 -1.01 0.00 0.00 55.97 54.23 1n6m s LYS 478 Cb -0.14 -3.68 -0.04 0.00 -1.01 0.00 0.00 37.83 32.96 1n6m s LYS 478 CO 0.02 -0.44 0.19 0.00 0.51 0.00 0.00 175.35 175.62 1n6m s ALA 479 N 1.66 3.95 -0.28 5.17 0.00 0.14 -1.93 121.76 130.47 1n6m s ALA 479 Ca 0.05 -0.81 -0.19 0.00 0.00 0.00 0.00 51.96 51.02 1n6m s ALA 479 Cb -0.17 -1.83 0.09 0.00 0.00 0.00 0.00 23.12 21.20 1n6m s ALA 479 CO 0.08 0.78 0.75 -0.08 0.00 0.00 0.00 175.76 177.29 1n6m s THR 480 N -1.40 0.00 0.02 0.00 -1.32 -1.02 -1.32 115.64 110.61 1n6m s THR 480 Ca 0.30 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.84 1n6m s THR 480 Cb -0.13 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.84 1n6m s THR 480 CO 0.22 0.00 -0.18 -0.36 -2.21 0.00 0.00 174.62 172.09 1n6m s PHE 481 N 1.25 1.61 0.27 9.09 0.40 -1.26 -1.37 117.98 127.97 1n6m s PHE 481 Ca -0.07 -0.34 -0.20 0.00 -0.60 0.00 0.00 56.93 55.72 1n6m s PHE 481 Cb -0.05 -0.99 0.02 0.00 0.51 0.00 0.00 43.02 42.51 1n6m s PHE 481 CO -0.14 0.04 0.69 -0.48 0.70 0.00 0.00 175.22 176.03 1n6m s LEU 482 N -0.91 -0.20 0.20 -0.37 0.05 -0.52 -2.93 118.68 114.00 1n6m s LEU 482 Ca 0.06 -0.62 0.03 0.00 0.05 0.00 0.00 54.13 53.65 1n6m s LEU 482 Cb -0.08 2.61 -0.05 0.00 -2.05 0.00 0.00 46.19 46.62 1n6m s LEU 482 CO 0.01 -1.31 -0.01 -0.70 -0.55 0.00 0.00 176.35 173.79 1n6m s GLU 483 N -3.92 1.23 -0.34 1.48 2.12 0.09 -1.74 118.70 117.62 1n6m s GLU 483 Ca 0.12 -1.60 -0.00 0.00 0.36 0.00 0.00 54.97 53.85 1n6m s GLU 483 Cb -0.05 -0.50 0.14 0.00 0.26 0.00 0.00 34.13 33.98 1n6m s GLU 483 CO 0.06 -0.09 0.24 0.42 -0.54 0.00 0.00 175.26 175.36 1n6m s ILE 484 N -3.49 -0.08 0.00 -3.70 1.01 -0.45 -1.42 121.20 113.07 1n6m s ILE 484 Ca 0.26 -1.21 0.00 0.00 0.00 0.00 0.00 60.65 59.69 1n6m s ILE 484 Cb 0.05 -0.97 0.00 0.00 0.01 0.00 0.00 42.46 41.56 1n6m s ILE 484 CO 0.06 -0.79 0.03 0.00 0.00 0.00 0.00 174.94 174.25 1n6m n TYR 485 N 4.47 0.00 -3.16 3.97 9.36 -1.14 -1.79 117.16 128.87 1n6m n TYR 485 Ca 0.07 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 60.93 1n6m n TYR 485 Cb 0.41 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.09 1n6m n TYR 485 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1n6m n ASN 486 N -0.21 5.28 -2.19 2.98 5.15 -1.26 -4.72 115.26 120.28 1n6m n ASN 486 Ca 0.00 -3.46 -0.16 0.00 -0.60 0.00 0.00 54.58 50.37 1n6m n ASN 486 Cb 0.00 -0.98 -0.02 0.00 -0.53 0.00 0.00 39.78 38.25 1n6m n ASN 486 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1n6m n GLU 487 N 0.98 -1.84 -4.36 1.20 -0.58 -1.26 -4.94 120.64 109.83 1n6m n GLU 487 Ca 0.29 0.81 -0.26 0.00 -0.42 0.00 0.00 57.16 57.58 1n6m n GLU 487 Cb 0.36 -5.36 -0.17 0.00 -0.57 0.00 0.00 31.44 25.71 1n6m n GLU 487 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1n6m s VAL 488 N -2.69 1.19 0.11 2.62 1.01 -1.26 -4.92 120.40 116.47 1n6m s VAL 488 Ca 0.00 -0.47 -0.29 0.00 0.00 0.00 0.00 61.98 61.22 1n6m s VAL 488 Cb 0.00 -1.12 -0.06 0.00 0.00 0.00 0.00 36.38 35.20 1n6m s VAL 488 CO 0.00 0.38 0.94 -0.76 0.00 0.00 0.00 175.10 175.66 1n6m s LEU 489 N 1.03 4.51 -0.08 3.92 1.02 -1.26 -2.89 118.68 124.93 1n6m s LEU 489 Ca -0.07 1.77 0.02 0.00 0.02 0.00 0.00 54.13 55.86 1n6m s LEU 489 Cb -0.15 -3.55 0.02 0.00 0.02 0.00 0.00 46.19 42.53 1n6m s LEU 489 CO -0.01 -0.04 -0.12 -0.31 0.02 0.00 0.00 176.35 175.90 1n6m s TYR 490 N -0.12 1.52 0.47 0.29 1.51 -0.51 -4.69 117.35 115.82 1n6m s TYR 490 Ca 0.45 -0.62 -0.22 0.00 -1.01 0.00 0.00 57.07 55.68 1n6m s TYR 490 Cb -0.23 -1.14 -0.08 0.00 -0.11 0.00 0.00 41.96 40.40 1n6m s TYR 490 CO 0.29 -0.34 1.10 0.34 -1.11 0.00 0.00 175.55 175.83 1n6m s ASP 491 N 0.89 6.26 0.00 2.29 -1.08 -1.26 -0.74 116.67 123.03 1n6m s ASP 491 Ca -0.10 2.12 0.04 0.00 -0.52 0.00 0.00 52.55 54.08 1n6m s ASP 491 Cb -0.15 -2.58 0.10 0.00 -1.46 0.00 0.00 42.92 38.82 1n6m s ASP 491 CO 0.01 -0.84 1.02 0.18 0.52 0.00 0.00 175.17 176.05 1n6m n LEU 492 N -0.69 2.18 -0.50 -1.34 4.77 -1.15 -4.51 117.00 115.77 1n6m n LEU 492 Ca 0.08 -1.84 0.05 0.00 -0.03 0.00 0.00 56.01 54.27 1n6m n LEU 492 Cb 0.50 -0.07 0.10 0.00 -2.33 0.00 0.00 43.42 41.62 1n6m n LEU 492 CO 0.44 0.54 0.54 0.18 -1.33 0.00 0.00 177.39 177.76 1n6m n LEU 493 N -0.07 2.47 -4.19 2.23 4.77 -1.26 -4.35 117.00 116.60 1n6m n LEU 493 Ca 0.04 -1.67 -0.15 0.00 -0.03 0.00 0.00 56.01 54.20 1n6m n LEU 493 Cb 0.28 -0.13 -0.08 0.00 -2.33 0.00 0.00 43.42 41.16 1n6m n LEU 493 CO 0.03 0.58 -0.09 -0.94 -1.33 0.00 0.00 177.39 175.64 1n6m s SER 494 N -0.94 0.77 0.00 -1.43 1.04 -1.26 -5.03 113.70 106.85 1n6m s SER 494 Ca 0.17 -1.48 0.00 0.00 0.48 0.00 0.00 55.95 55.12 1n6m s SER 494 Cb 0.10 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1n6m s SER 494 CO 0.13 -1.02 0.00 0.59 0.98 0.00 0.00 173.24 173.92 1n6m n ASN 495 N -0.91 4.20 -4.67 7.02 5.03 -1.26 -4.93 115.26 119.74 1n6m n ASN 495 Ca 0.03 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.06 1n6m n ASN 495 Cb 0.64 0.27 -0.03 0.00 -1.02 0.00 0.00 39.78 39.63 1n6m n ASN 495 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1n6m s GLU 496 N -1.92 4.14 0.20 3.52 2.12 -1.26 -4.91 118.70 120.59 1n6m s GLU 496 Ca 0.00 2.63 -0.30 0.00 0.36 0.00 0.00 54.97 57.66 1n6m s GLU 496 Cb 0.00 -3.94 -0.09 0.00 0.26 0.00 0.00 34.13 30.36 1n6m s GLU 496 CO 0.00 -0.92 1.27 -1.14 -0.54 0.00 0.00 175.26 173.93 1n6m s GLN 497 N 3.80 4.43 -0.11 4.30 -0.44 -1.26 -5.01 119.66 125.36 1n6m s GLN 497 Ca 0.86 2.00 -0.10 0.00 -2.50 0.00 0.00 55.36 55.62 1n6m s GLN 497 Cb -0.44 -3.21 0.03 0.00 -1.64 0.00 0.00 33.01 27.75 1n6m s GLN 497 CO 0.40 -0.19 0.30 -1.59 0.50 0.00 0.00 175.29 174.71 1n6m s LYS 498 N -0.24 0.34 -0.23 1.67 -2.85 -1.26 -5.13 119.74 112.04 1n6m s LYS 498 Ca 0.55 0.44 -0.22 0.00 -1.00 0.00 0.00 55.97 55.74 1n6m s LYS 498 Cb -0.35 0.15 -0.02 0.00 -2.06 0.00 0.00 37.83 35.55 1n6m s LYS 498 CO 0.38 -0.05 0.69 -0.51 0.10 0.00 0.00 175.35 175.95 1n6m s ASP 499 N 0.28 6.69 0.30 0.03 1.01 -1.26 -4.91 116.67 118.81 1n6m s ASP 499 Ca -0.01 0.85 0.07 0.00 0.71 0.00 0.00 52.55 54.17 1n6m s ASP 499 Cb -0.03 -2.37 -0.03 0.00 1.01 0.00 0.00 42.92 41.50 1n6m s ASP 499 CO -0.01 -0.37 0.25 -0.04 0.21 0.00 0.00 175.17 175.22 1n6m s MET 500 N 2.35 2.80 -0.07 8.23 -1.94 -1.26 -4.89 119.30 124.53 1n6m s MET 500 Ca 0.30 -1.20 -0.27 0.00 -1.71 0.00 0.00 55.69 52.81 1n6m s MET 500 Cb -0.16 -2.51 0.06 0.00 2.01 0.00 0.00 34.83 34.23 1n6m s MET 500 CO 0.09 0.22 0.61 -2.00 -0.01 0.00 0.00 175.02 173.92 1n6m s GLU 501 N -3.93 0.95 -0.27 2.03 -6.30 -1.25 -4.84 118.70 105.08 1n6m s GLU 501 Ca 0.38 0.25 -0.29 0.00 -2.50 0.00 0.00 54.97 52.81 1n6m s GLU 501 Cb -0.07 0.45 -0.00 0.00 0.00 0.00 0.00 34.13 34.51 1n6m s GLU 501 CO 0.26 -0.27 1.32 0.42 0.02 0.00 0.00 175.26 177.00 1n6m s ILE 502 N -1.03 4.13 0.05 -3.70 1.01 -1.26 -2.20 121.20 118.21 1n6m s ILE 502 Ca -0.10 1.29 0.03 0.00 0.00 0.00 0.00 60.65 61.87 1n6m s ILE 502 Cb -0.02 -4.10 -0.03 0.00 0.01 0.00 0.00 42.46 38.33 1n6m s ILE 502 CO 0.08 -0.41 -0.09 -0.13 0.00 0.00 0.00 174.94 174.38 1n6m s ARG 503 N 4.10 0.59 0.56 2.79 0.52 0.19 -4.94 118.95 122.77 1n6m s ARG 503 Ca 0.57 -0.80 -0.18 0.00 -0.52 0.00 0.00 55.73 54.80 1n6m s ARG 503 Cb -0.18 -0.41 -0.09 0.00 0.52 0.00 0.00 34.95 34.79 1n6m s ARG 503 CO 0.22 0.08 0.45 -1.33 0.02 0.00 0.00 175.30 174.74 1n6m n MET 504 N 1.41 0.45 -3.59 3.54 2.81 -1.26 -1.05 117.12 119.42 1n6m n MET 504 Ca -0.22 0.18 -0.33 0.00 -1.81 0.00 0.00 57.70 55.51 1n6m n MET 504 Cb 0.55 -1.62 -0.05 0.00 -0.71 0.00 0.00 33.22 31.39 1n6m n MET 504 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1n6m s ALA 505 N -1.75 3.73 0.00 3.04 0.00 -1.09 -4.64 121.76 121.05 1n6m s ALA 505 Ca 0.67 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.19 1n6m s ALA 505 Cb -0.45 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 20.44 1n6m s ALA 505 CO 0.56 0.60 0.19 1.17 0.00 0.00 0.00 175.76 178.28 1n6m n LYS 506 N 0.39 0.00 -0.69 0.00 4.81 -1.26 -1.59 118.16 119.82 1n6m n LYS 506 Ca -0.04 0.19 -0.07 0.00 -0.87 0.00 0.00 58.31 57.52 1n6m n LYS 506 Cb 0.52 -0.50 -0.01 0.00 0.02 0.00 0.00 35.03 35.06 1n6m n LYS 506 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1n6m n ASN 507 N -0.48 5.69 0.00 3.14 3.02 -1.26 -4.65 115.26 120.72 1n6m n ASN 507 Ca 0.00 -2.63 0.00 0.00 -0.03 0.00 0.00 54.58 51.92 1n6m n ASN 507 Cb 0.00 -1.14 0.00 0.00 -0.61 0.00 0.00 39.78 38.03 1n6m n ASN 507 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1n6m n ASN 508 N 1.25 0.00 0.01 6.41 2.85 -0.62 -5.00 115.26 120.15 1n6m n ASN 508 Ca 0.14 0.00 0.07 0.00 -0.11 0.00 0.00 54.58 54.67 1n6m n ASN 508 Cb 0.56 0.00 0.29 0.00 1.24 0.00 0.00 39.78 41.87 1n6m n ASN 508 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1n6m n LYS 509 N 0.00 0.01 0.05 1.20 -0.00 -1.25 -1.95 118.16 116.21 1n6m n LYS 509 Ca 0.00 0.28 0.11 0.00 -0.00 0.00 0.00 58.31 58.70 1n6m n LYS 509 Cb 0.00 -1.52 -0.00 0.00 -0.00 0.00 0.00 35.03 33.51 1n6m n LYS 509 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1n6m n ASN 510 N -1.53 0.61 -4.79 -5.58 5.03 -1.26 -4.72 115.26 103.02 1n6m n ASN 510 Ca 0.03 0.03 -0.24 0.00 0.87 0.00 0.00 54.58 55.27 1n6m n ASN 510 Cb 0.16 0.80 0.08 0.00 -1.02 0.00 0.00 39.78 39.80 1n6m n ASN 510 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1n6m s ASP 511 N -4.52 4.63 0.27 6.41 -1.08 -0.82 -4.57 116.67 116.98 1n6m s ASP 511 Ca 0.01 0.09 0.11 0.00 -0.52 0.00 0.00 52.55 52.23 1n6m s ASP 511 Cb 0.13 -0.66 -0.05 0.00 -1.46 0.00 0.00 42.92 40.88 1n6m s ASP 511 CO 0.81 -1.67 -0.09 -0.63 0.52 0.00 0.00 175.17 174.10 1n6m s ILE 512 N -3.16 3.03 -0.20 4.11 1.09 -1.26 -3.18 121.20 121.63 1n6m s ILE 512 Ca 0.63 -2.11 -0.08 0.00 -1.10 0.00 0.00 60.65 57.99 1n6m s ILE 512 Cb -0.08 -2.60 0.08 0.00 -1.06 0.00 0.00 42.46 38.80 1n6m s ILE 512 CO 0.44 -0.37 0.43 -0.47 -0.10 0.00 0.00 174.94 174.87 1n6m s TYR 513 N -2.37 -0.78 -0.36 3.97 6.14 -0.22 -4.66 117.35 119.08 1n6m s TYR 513 Ca 0.30 1.51 -0.13 0.00 0.64 0.00 0.00 57.07 59.40 1n6m s TYR 513 Cb -0.06 0.32 -0.00 0.00 0.42 0.00 0.00 41.96 42.64 1n6m s TYR 513 CO 0.18 -0.46 0.24 0.08 0.64 0.00 0.00 175.55 176.22 1n6m s VAL 514 N 2.35 5.07 0.06 3.14 1.01 -1.26 0.56 120.40 131.33 1n6m s VAL 514 Ca -0.04 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 1n6m s VAL 514 Cb -0.11 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 1n6m s VAL 514 CO -0.13 -0.10 1.02 -0.94 0.00 0.00 0.00 175.10 174.95 1n6m s SER 515 N 1.67 7.35 0.00 3.32 1.04 -0.93 -3.71 113.70 122.44 1n6m s SER 515 Ca 0.05 1.79 0.00 0.00 0.48 0.00 0.00 55.95 58.27 1n6m s SER 515 Cb -0.18 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.36 1n6m s SER 515 CO 0.09 -0.23 0.00 0.59 0.98 0.00 0.00 173.24 174.67 1n6m n ASN 516 N 3.44 -0.42 -4.88 7.02 5.03 -1.26 -3.77 115.26 120.43 1n6m n ASN 516 Ca 0.05 0.00 -0.30 0.00 0.87 0.00 0.00 54.58 55.20 1n6m n ASN 516 Cb 0.49 -0.07 -0.01 0.00 -1.02 0.00 0.00 39.78 39.18 1n6m n ASN 516 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 1n6m s ILE 517 N -3.06 4.74 -0.29 2.41 2.07 -1.24 -5.01 121.20 120.82 1n6m s ILE 517 Ca 0.00 0.72 -0.26 0.00 -1.41 0.00 0.00 60.65 59.71 1n6m s ILE 517 Cb 0.00 -3.83 0.00 0.00 0.13 0.00 0.00 42.46 38.77 1n6m s ILE 517 CO 0.00 -0.91 0.89 -0.89 -1.91 0.00 0.00 174.94 172.12 1n6m s THR 518 N -2.87 4.71 -0.56 4.00 2.01 -1.26 -4.99 115.64 116.69 1n6m s THR 518 Ca 0.53 1.47 0.00 0.00 0.31 0.00 0.00 61.69 64.00 1n6m s THR 518 Cb -0.11 -4.23 0.14 0.00 0.01 0.00 0.00 72.50 68.32 1n6m s THR 518 CO 0.45 -0.28 0.34 -0.70 -0.69 0.00 0.00 174.62 173.74 1n6m s GLU 519 N 3.14 2.25 0.05 4.92 2.12 -1.26 -4.59 118.70 125.34 1n6m s GLU 519 Ca 0.37 -2.51 -0.30 0.00 0.36 0.00 0.00 54.97 52.89 1n6m s GLU 519 Cb -0.14 -3.53 -0.05 0.00 0.26 0.00 0.00 34.13 30.67 1n6m s GLU 519 CO 0.12 -1.13 1.17 -1.21 -0.54 0.00 0.00 175.26 173.67 1n6m s GLU 520 N -0.07 4.44 -0.63 4.30 0.41 -0.43 -4.83 118.70 121.90 1n6m s GLU 520 Ca 0.16 1.72 -0.20 0.00 -0.41 0.00 0.00 54.97 56.25 1n6m s GLU 520 Cb -0.23 -3.37 0.10 0.00 -1.78 0.00 0.00 34.13 28.85 1n6m s GLU 520 CO -0.02 -0.24 0.79 0.99 -0.49 0.00 0.00 175.26 176.29 1n6m s THR 521 N 1.09 4.70 -0.25 3.63 2.01 -1.26 0.26 115.64 125.83 1n6m s THR 521 Ca 0.58 -0.88 -0.42 0.00 0.31 0.00 0.00 61.69 61.28 1n6m s THR 521 Cb -0.28 -4.55 -0.18 0.00 0.01 0.00 0.00 72.50 67.49 1n6m s THR 521 CO 0.29 -1.23 1.49 0.52 -0.69 0.00 0.00 174.62 175.00 1n6m n VAL 522 N 5.61 0.08 0.03 3.82 0.31 -0.17 -4.89 118.33 123.13 1n6m n VAL 522 Ca -0.06 -0.01 -0.22 0.00 -0.01 0.00 0.00 64.34 64.04 1n6m n VAL 522 Cb 0.43 -0.63 -0.14 0.00 -0.91 0.00 0.00 33.84 32.59 1n6m n VAL 522 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1n6m h LEU 523 N 5.10 0.46 -7.61 7.52 7.12 -1.92 -3.42 115.31 122.55 1n6m h LEU 523 Ca -0.47 -0.89 0.23 0.00 0.13 0.00 0.00 57.88 56.88 1n6m h LEU 523 Cb 1.36 -0.15 -0.08 0.00 -0.53 0.00 0.00 40.66 41.26 1n6m h LEU 523 CO 0.87 1.60 0.63 1.51 -0.13 0.00 0.00 178.44 182.92 1n6m s ASP 524 N -7.09 -0.09 0.59 1.25 1.47 -1.26 -4.99 116.67 106.55 1n6m s ASP 524 Ca -0.17 -0.37 0.28 0.00 1.18 0.00 0.00 52.55 53.47 1n6m s ASP 524 Cb 0.04 0.38 1.58 0.00 -0.34 0.00 0.00 42.92 44.57 1n6m s ASP 524 CO 0.80 -0.71 2.03 1.55 0.68 0.00 0.00 175.17 179.51 1n6m h PRO 525 N 2.00 0.00 -0.03 2.11 0.13 -1.99 0.66 132.00 134.88 1n6m h PRO 525 Ca -0.27 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.86 1n6m h PRO 525 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1n6m h PRO 525 CO 0.29 0.00 -0.01 -0.91 -0.23 0.00 0.00 178.00 177.14 1n6m h ASN 526 N 0.00 0.07 -0.84 1.44 2.35 -1.98 0.58 115.58 117.19 1n6m h ASN 526 Ca 0.14 -0.38 0.09 0.00 -0.55 0.00 0.00 56.30 55.60 1n6m h ASN 526 Cb 0.74 -0.02 -0.07 0.00 0.05 0.00 0.00 38.32 39.02 1n6m h ASN 526 CO -0.00 0.43 0.49 -0.74 -1.65 0.00 0.00 177.43 175.95 1n6m h HIS 527 N -0.30 0.89 -0.19 1.19 2.76 -1.31 -0.34 115.15 117.85 1n6m h HIS 527 Ca 0.01 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.15 1n6m h HIS 527 Cb 0.40 -0.27 -0.00 0.00 1.55 0.00 0.00 27.41 29.08 1n6m h HIS 527 CO 0.06 0.38 -0.12 1.25 -1.30 0.00 0.00 177.93 178.19 1n6m h LEU 528 N 0.83 0.44 -1.14 0.26 6.46 -1.03 -1.63 115.31 119.49 1n6m h LEU 528 Ca 0.40 -0.43 0.12 0.00 -0.12 0.00 0.00 57.88 57.85 1n6m h LEU 528 Cb 0.34 -0.12 -0.08 0.00 -0.73 0.00 0.00 40.66 40.08 1n6m h LEU 528 CO -0.24 0.77 0.60 0.03 -0.62 0.00 0.00 178.44 178.99 1n6m h ARG 529 N 0.10 0.85 -0.13 1.25 3.08 -0.21 0.45 114.38 119.79 1n6m h ARG 529 Ca 0.04 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1n6m h ARG 529 Cb 0.62 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1n6m h ARG 529 CO 0.03 0.56 0.04 1.25 -1.07 0.00 0.00 179.97 180.79 1n6m h HIS 530 N 0.88 0.20 -0.81 3.04 2.76 -0.85 -2.42 115.15 117.95 1n6m h HIS 530 Ca 0.46 -0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.67 1n6m h HIS 530 Cb 0.54 -0.06 -0.06 0.00 1.55 0.00 0.00 27.41 29.38 1n6m h HIS 530 CO -0.00 0.31 0.50 -0.07 -1.30 0.00 0.00 177.93 177.36 1n6m h LEU 531 N 0.03 0.78 0.17 0.26 3.38 -0.01 -0.17 115.31 119.75 1n6m h LEU 531 Ca 0.04 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1n6m h LEU 531 Cb 0.20 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1n6m h LEU 531 CO -0.00 0.50 -0.08 0.24 0.09 0.00 0.00 178.44 179.19 1n6m h MET 532 N 0.91 -0.22 -0.54 1.13 2.86 -0.96 0.59 114.93 118.71 1n6m h MET 532 Ca 0.35 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 58.06 1n6m h MET 532 Cb 0.16 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.81 1n6m h MET 532 CO -0.17 0.11 0.27 1.25 1.06 0.00 0.00 176.91 179.42 1n6m h HIS 533 N -0.56 0.48 -0.96 -0.22 -0.00 -1.34 -0.77 115.15 111.78 1n6m h HIS 533 Ca -0.02 0.02 0.05 0.00 -0.00 0.00 0.00 60.37 60.42 1n6m h HIS 533 Cb 0.42 -0.14 -0.06 0.00 -0.00 0.00 0.00 27.41 27.64 1n6m h HIS 533 CO 0.03 0.22 0.62 1.15 -0.00 0.00 0.00 177.93 179.95 1n6m h THR 534 N 0.51 1.12 0.52 6.26 2.02 -0.94 -1.86 112.91 120.54 1n6m h THR 534 Ca 0.25 -0.40 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 1n6m h THR 534 Cb 0.18 -0.15 0.01 0.00 -1.74 0.00 0.00 68.15 66.45 1n6m h THR 534 CO -0.19 0.21 -0.25 0.00 0.37 0.00 0.00 175.52 175.67 1n6m h ALA 535 N 1.42 -1.04 -1.19 6.16 0.00 0.48 -2.88 119.26 122.21 1n6m h ALA 535 Ca 0.40 -0.15 0.34 0.00 0.00 0.00 0.00 54.91 55.50 1n6m h ALA 535 Cb 0.08 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 18.05 1n6m h ALA 535 CO -0.15 -0.99 0.79 0.87 0.00 0.00 0.00 179.25 179.77 1n6m h LYS 536 N -0.80 0.21 -0.01 0.00 1.79 -1.17 -1.69 116.57 114.90 1n6m h LYS 536 Ca -0.07 -0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.40 1n6m h LYS 536 Cb 0.54 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.11 1n6m h LYS 536 CO 0.12 0.14 -0.26 1.98 -1.08 0.00 0.00 179.45 180.34 1n6m h MET 537 N 0.21 -0.31 0.00 3.15 4.05 -1.12 -2.08 114.93 118.83 1n6m h MET 537 Ca 0.67 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 60.11 1n6m h MET 537 Cb 2.06 0.07 0.00 0.00 -0.80 0.00 0.00 31.60 32.93 1n6m h MET 537 CO -0.27 -0.21 0.00 0.09 0.23 0.00 0.00 176.91 176.75 1n6m n ASN 538 N -3.94 0.10 -0.42 1.39 3.02 -0.67 -3.46 115.26 111.28 1n6m n ASN 538 Ca -0.04 0.53 0.00 0.00 -0.03 0.00 0.00 54.58 55.04 1n6m n ASN 538 Cb 0.19 -0.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.82 1n6m n ASN 538 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1n6m n ARG 539 N -1.61 0.56 -4.04 3.52 0.63 -0.78 -5.09 116.66 109.84 1n6m n ARG 539 Ca 0.03 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.64 1n6m n ARG 539 Cb 0.18 -1.23 -0.15 0.00 0.45 0.00 0.00 32.46 31.71 1n6m n ARG 539 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1n6m s ALA 540 N -1.17 2.64 0.00 5.13 0.00 -1.23 -5.07 121.76 122.07 1n6m s ALA 540 Ca 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.09 1n6m s ALA 540 Cb 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 23.12 21.44 1n6m s ALA 540 CO 0.00 -1.27 0.00 0.45 0.00 0.00 0.00 175.76 174.94 1n6m n SER 550 N 4.43 0.00 -0.96 0.00 2.88 -1.26 -5.18 113.62 113.53 1n6m n SER 550 Ca -0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 1n6m n SER 550 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 1n6m n SER 550 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1n6m n SER 551 N 0.00 0.39 -0.16 -3.46 3.41 -1.26 0.12 113.62 112.66 1n6m n SER 551 Ca 0.00 -0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.34 1n6m n SER 551 Cb 0.00 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 1n6m n SER 551 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1n6m n ARG 552 N 0.90 0.02 -4.27 4.33 3.00 -1.26 -2.18 116.66 117.20 1n6m n ARG 552 Ca 0.00 -0.67 -0.21 0.00 -0.01 0.00 0.00 57.85 56.96 1n6m n ARG 552 Cb 0.07 -0.51 -0.12 0.00 0.00 0.00 0.00 32.46 31.90 1n6m n ARG 552 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1n6m s SER 553 N -0.33 2.30 -0.31 0.55 1.04 0.32 -4.70 113.70 112.58 1n6m s SER 553 Ca 0.00 -0.76 -0.11 0.00 0.48 0.00 0.00 55.95 55.55 1n6m s SER 553 Cb 0.00 -0.11 -0.03 0.00 0.10 0.00 0.00 66.02 65.98 1n6m s SER 553 CO 0.00 -0.05 0.20 -1.00 0.98 0.00 0.00 173.24 173.38 1n6m s HIS 554 N -1.71 3.21 -0.39 5.02 3.76 -0.74 -3.62 115.29 120.83 1n6m s HIS 554 Ca 0.09 -0.10 -0.16 0.00 -0.15 0.00 0.00 55.06 54.73 1n6m s HIS 554 Cb -0.07 -2.41 0.01 0.00 1.11 0.00 0.00 32.58 31.21 1n6m s HIS 554 CO 0.04 -0.28 0.39 0.00 -0.85 0.00 0.00 174.74 174.04 1n6m s ALA 555 N 1.72 3.46 -0.07 -1.40 0.00 -1.07 -1.35 121.76 123.07 1n6m s ALA 555 Ca 0.06 -1.40 0.01 0.00 0.00 0.00 0.00 51.96 50.64 1n6m s ALA 555 Cb -0.17 -2.93 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 1n6m s ALA 555 CO 0.10 -1.35 -0.09 0.08 0.00 0.00 0.00 175.76 174.51 1n6m s VAL 556 N 2.04 3.54 -0.16 0.00 1.01 -0.71 -0.18 120.40 125.95 1n6m s VAL 556 Ca 0.11 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 1n6m s VAL 556 Cb -0.17 -2.43 0.04 0.00 0.00 0.00 0.00 36.38 33.82 1n6m s VAL 556 CO 0.12 0.59 -0.02 -0.89 0.00 0.00 0.00 175.10 174.91 1n6m s THR 557 N -0.74 0.81 -0.12 3.92 2.01 -0.06 -1.44 115.64 120.03 1n6m s THR 557 Ca 0.11 -0.47 -0.02 0.00 0.31 0.00 0.00 61.69 61.62 1n6m s THR 557 Cb -0.11 -1.08 -0.03 0.00 0.01 0.00 0.00 72.50 71.29 1n6m s THR 557 CO 0.01 0.06 -0.05 -0.75 -0.69 0.00 0.00 174.62 173.21 1n6m s LYS 558 N 1.76 3.27 -0.13 4.92 2.20 -0.47 -0.89 119.74 130.39 1n6m s LYS 558 Ca 0.01 -0.52 0.01 0.00 -0.36 0.00 0.00 55.97 55.11 1n6m s LYS 558 Cb -0.15 -2.78 0.02 0.00 -1.51 0.00 0.00 37.83 33.41 1n6m s LYS 558 CO -0.07 0.44 -0.14 -0.51 -0.36 0.00 0.00 175.35 174.71 1n6m s LEU 559 N -0.19 1.66 -0.22 5.43 1.02 -0.22 -2.45 118.68 123.71 1n6m s LEU 559 Ca 0.03 -0.46 -0.05 0.00 0.02 0.00 0.00 54.13 53.68 1n6m s LEU 559 Cb -0.13 -1.13 -0.02 0.00 0.02 0.00 0.00 46.19 44.94 1n6m s LEU 559 CO 0.02 -0.04 -0.01 -0.70 0.02 0.00 0.00 176.35 175.64 1n6m s GLU 560 N 1.36 3.47 -0.33 1.70 2.12 -0.81 -0.38 118.70 125.83 1n6m s GLU 560 Ca 0.02 -0.58 -0.17 0.00 0.36 0.00 0.00 54.97 54.59 1n6m s GLU 560 Cb -0.13 -3.08 -0.01 0.00 0.26 0.00 0.00 34.13 31.16 1n6m s GLU 560 CO -0.08 -0.16 0.49 -0.51 -0.54 0.00 0.00 175.26 174.46 1n6m s LEU 561 N 1.42 4.28 -0.45 2.70 1.43 -0.39 -1.56 118.68 126.11 1n6m s LEU 561 Ca 0.05 0.06 -0.05 0.00 -1.03 0.00 0.00 54.13 53.16 1n6m s LEU 561 Cb -0.14 -2.56 0.12 0.00 0.03 0.00 0.00 46.19 43.64 1n6m s LEU 561 CO -0.01 -0.41 0.28 -0.63 0.23 0.00 0.00 176.35 175.81 1n6m s ILE 562 N 2.32 3.64 -0.14 -0.59 1.01 -0.15 -1.69 121.20 125.60 1n6m s ILE 562 Ca 0.18 -2.06 -0.17 0.00 0.00 0.00 0.00 60.65 58.60 1n6m s ILE 562 Cb -0.16 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 1n6m s ILE 562 CO 0.12 -0.74 0.45 -0.83 0.00 0.00 0.00 174.94 173.94 1n6m s GLY 563 N 1.99 2.30 -0.15 6.18 0.00 0.41 -1.30 107.32 116.75 1n6m s GLY 563 Ca 0.08 -0.28 0.00 0.00 0.00 0.00 0.00 44.72 44.53 1n6m s GLY 563 CO -0.03 0.77 -0.14 0.50 0.00 0.00 0.00 173.10 174.20 1n6m s ARG 564 N 0.79 2.25 -0.38 2.90 0.52 -0.18 0.63 118.95 125.47 1n6m s ARG 564 Ca 0.24 -0.55 -0.09 0.00 -0.52 0.00 0.00 55.73 54.81 1n6m s ARG 564 Cb -0.15 -2.09 0.05 0.00 0.52 0.00 0.00 34.95 33.29 1n6m s ARG 564 CO 0.09 -0.25 0.20 -1.58 0.02 0.00 0.00 175.30 173.79 1n6m s HIS 565 N 1.50 3.29 0.02 -0.53 2.46 0.20 -0.69 115.29 121.53 1n6m s HIS 565 Ca 0.05 -1.32 -0.25 0.00 0.47 0.00 0.00 55.06 54.01 1n6m s HIS 565 Cb -0.13 -2.61 -0.14 0.00 -0.13 0.00 0.00 32.58 29.57 1n6m s HIS 565 CO -0.11 -0.75 1.14 0.00 -2.47 0.00 0.00 174.74 172.56 1n6m h ALA 566 N 8.37 -1.01 0.00 1.58 0.00 -1.83 -1.77 119.26 124.60 1n6m h ALA 566 Ca -0.24 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1n6m h ALA 566 Cb 1.09 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1n6m h ALA 566 CO 0.69 -0.94 0.00 1.05 0.00 0.00 0.00 179.25 180.04 1n6m h GLU 567 N -1.12 0.00 -0.01 0.00 4.11 -1.95 -1.62 114.58 113.99 1n6m h GLU 567 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.34 1n6m h GLU 567 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1n6m h GLU 567 CO 0.15 0.00 -0.31 1.63 0.07 0.00 0.00 179.01 180.55 1n6m n LYS 568 N -2.59 1.57 -3.91 1.06 4.76 -1.24 -4.99 118.16 112.81 1n6m n LYS 568 Ca -0.00 -0.99 -0.28 0.00 -2.87 0.00 0.00 58.31 54.17 1n6m n LYS 568 Cb 0.16 -1.33 -0.01 0.00 -1.84 0.00 0.00 35.03 32.01 1n6m n LYS 568 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1n6m n GLN 569 N 0.10 -2.64 -4.87 1.97 1.13 -0.61 -4.97 117.38 107.49 1n6m n GLN 569 Ca 0.08 0.39 -0.27 0.00 -1.94 0.00 0.00 57.00 55.26 1n6m n GLN 569 Cb 0.39 -4.31 -0.15 0.00 0.11 0.00 0.00 30.24 26.28 1n6m n GLN 569 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1n6m s GLU 570 N -6.51 1.58 0.04 -1.09 0.41 -0.83 -5.02 118.70 107.28 1n6m s GLU 570 Ca 0.12 -0.85 0.06 0.00 -0.41 0.00 0.00 54.97 53.90 1n6m s GLU 570 Cb -0.05 -1.61 -0.02 0.00 -1.78 0.00 0.00 34.13 30.67 1n6m s GLU 570 CO 0.89 0.43 -0.18 -1.50 -0.49 0.00 0.00 175.26 174.41 1n6m s ILE 571 N -0.63 1.42 -0.03 -1.63 2.07 -1.26 -0.63 121.20 120.50 1n6m s ILE 571 Ca 0.08 -1.10 0.01 0.00 -1.41 0.00 0.00 60.65 58.23 1n6m s ILE 571 Cb -0.08 -1.25 0.02 0.00 0.13 0.00 0.00 42.46 41.28 1n6m s ILE 571 CO 0.00 0.12 -0.02 -0.55 -1.91 0.00 0.00 174.94 172.58 1n6m s SER 572 N -1.14 0.63 -0.05 4.50 0.15 0.20 -4.98 113.70 113.01 1n6m s SER 572 Ca 0.05 -0.07 -0.02 0.00 0.70 0.00 0.00 55.95 56.60 1n6m s SER 572 Cb -0.08 -0.29 0.04 0.00 -1.71 0.00 0.00 66.02 63.97 1n6m s SER 572 CO 0.02 -0.06 0.09 0.68 1.20 0.00 0.00 173.24 175.16 1n6m s VAL 573 N 0.83 -0.14 0.29 4.45 -7.23 -1.25 0.15 120.40 117.51 1n6m s VAL 573 Ca -0.10 0.36 0.02 0.00 -1.81 0.00 0.00 61.98 60.45 1n6m s VAL 573 Cb -0.13 -0.18 -0.01 0.00 0.56 0.00 0.00 36.38 36.62 1n6m s VAL 573 CO -0.01 0.15 0.07 0.61 -0.31 0.00 0.00 175.10 175.62 1n6m n GLY 574 N 5.04 3.59 3.52 2.32 0.00 -0.68 -4.40 105.19 114.58 1n6m n GLY 574 Ca -0.09 -2.11 -0.17 0.00 0.00 0.00 0.00 46.02 43.65 1n6m n GLY 574 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n6m s SER 575 N -2.70 -0.64 -0.11 1.61 1.04 -0.76 -1.26 113.70 110.87 1n6m s SER 575 Ca 0.10 0.86 0.01 0.00 0.48 0.00 0.00 55.95 57.40 1n6m s SER 575 Cb 0.01 0.76 -0.02 0.00 0.10 0.00 0.00 66.02 66.87 1n6m s SER 575 CO 0.07 -0.50 -0.13 -0.63 0.98 0.00 0.00 173.24 173.03 1n6m s ILE 576 N -0.77 3.07 -0.25 -1.02 1.01 0.48 0.06 121.20 123.78 1n6m s ILE 576 Ca -0.08 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 59.90 1n6m s ILE 576 Cb -0.02 -2.26 0.07 0.00 0.01 0.00 0.00 42.46 40.26 1n6m s ILE 576 CO 0.07 0.54 -0.02 0.20 0.00 0.00 0.00 174.94 175.73 1n6m s ASN 577 N 0.05 3.87 -0.30 3.58 0.01 -0.42 -1.06 114.94 120.67 1n6m s ASN 577 Ca -0.05 -1.28 -0.11 0.00 -0.71 0.00 0.00 52.86 50.72 1n6m s ASN 577 Cb -0.14 -1.14 -0.02 0.00 0.41 0.00 0.00 41.25 40.35 1n6m s ASN 577 CO 0.04 -0.27 0.17 -0.76 -1.51 0.00 0.00 177.10 174.78 1n6m s LEU 578 N 1.41 4.11 -0.14 0.60 1.43 -0.07 -0.39 118.68 125.64 1n6m s LEU 578 Ca -0.02 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 1n6m s LEU 578 Cb -0.19 -2.06 -0.00 0.00 0.03 0.00 0.00 46.19 43.98 1n6m s LEU 578 CO -0.08 -0.15 -0.18 -0.69 0.23 0.00 0.00 176.35 175.48 1n6m s VAL 579 N 1.68 2.48 -1.01 -1.59 1.01 0.64 -0.88 120.40 122.73 1n6m s VAL 579 Ca 0.06 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.14 1n6m s VAL 579 Cb -0.17 -2.02 0.26 0.00 0.00 0.00 0.00 36.38 34.45 1n6m s VAL 579 CO 0.08 0.53 1.00 -0.67 0.00 0.00 0.00 175.10 176.04 1n6m n ASP 580 N 3.88 5.00 -4.20 3.32 -0.08 0.75 -2.29 116.55 122.93 1n6m n ASP 580 Ca -0.19 -3.12 -0.35 0.00 -1.51 0.00 0.00 54.79 49.63 1n6m n ASP 580 Cb 0.52 -1.22 0.10 0.00 2.34 0.00 0.00 41.12 42.87 1n6m n ASP 580 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1n6m n LEU 581 N 2.37 -2.63 -4.94 -2.67 4.77 -1.19 -2.58 117.00 110.13 1n6m n LEU 581 Ca 0.23 0.08 -0.25 0.00 -0.03 0.00 0.00 56.01 56.05 1n6m n LEU 581 Cb 0.38 -0.89 0.05 0.00 -2.33 0.00 0.00 43.42 40.63 1n6m n LEU 581 CO 0.44 -3.69 0.52 0.00 -1.33 0.00 0.00 177.39 173.33 1n6m s ALA 582 N -2.18 3.41 0.15 -1.18 0.00 -1.24 -4.80 121.76 115.91 1n6m s ALA 582 Ca 0.49 -0.99 -0.34 0.00 0.00 0.00 0.00 51.96 51.11 1n6m s ALA 582 Cb -0.11 -2.44 -0.15 0.00 0.00 0.00 0.00 23.12 20.43 1n6m s ALA 582 CO 0.70 -1.01 1.51 0.41 0.00 0.00 0.00 175.76 177.37 1n6m n GLY 583 N -2.66 0.95 0.18 0.00 0.00 -0.92 -4.58 105.19 98.16 1n6m n GLY 583 Ca 0.07 0.66 0.13 0.00 0.00 0.00 0.00 46.02 46.87 1n6m n GLY 583 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n6m n SER 584 N 3.15 0.93 -4.48 1.61 3.41 -1.05 -4.93 113.62 112.25 1n6m n SER 584 Ca 0.17 -0.75 -0.35 0.00 -0.26 0.00 0.00 58.87 57.69 1n6m n SER 584 Cb 0.27 0.20 0.10 0.00 -0.26 0.00 0.00 64.21 64.52 1n6m n SER 584 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1n6m n GLU 585 N -0.87 0.07 -3.47 4.33 0.00 -1.26 -4.90 120.64 114.54 1n6m n GLU 585 Ca 0.10 0.07 -0.35 0.00 0.00 0.00 0.00 57.16 56.98 1n6m n GLU 585 Cb 0.35 -1.94 -0.06 0.00 0.00 0.00 0.00 31.44 29.79 1n6m n GLU 585 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 1n6m s SER 586 N -1.78 6.74 0.05 -1.84 0.01 -1.26 -5.04 113.70 110.58 1n6m s SER 586 Ca 0.64 0.94 -0.30 0.00 1.31 0.00 0.00 55.95 58.53 1n6m s SER 586 Cb -0.29 -2.23 -0.08 0.00 0.21 0.00 0.00 66.02 63.63 1n6m s SER 586 CO 0.60 0.15 1.71 -2.16 0.41 0.00 0.00 173.24 173.96 1n6m s PRO 587 N -1.86 4.18 0.00 12.44 0.04 -1.26 -4.99 135.00 143.55 1n6m s PRO 587 Ca 0.34 2.37 0.00 0.00 0.04 0.00 0.00 61.00 63.75 1n6m s PRO 587 Cb -0.15 -3.74 0.00 0.00 0.04 0.00 0.00 34.50 30.65 1n6m s PRO 587 CO 0.18 -0.79 0.00 1.63 0.04 0.00 0.00 177.00 178.06 1n6m n LYS 588 N 6.14 1.80 0.00 4.56 4.01 -1.26 -5.12 118.16 128.29 1n6m n LYS 588 Ca 0.17 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.97 1n6m n LYS 588 Cb 0.41 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.93 1n6m n LYS 588 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1n6m n THR 589 N 0.00 0.00 0.00 -0.18 -1.04 -1.26 -5.17 114.28 106.63 1n6m n THR 589 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1n6m n THR 589 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1n6m n THR 589 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1n6m n GLU 595 N 0.00 0.00 -0.43 -2.82 2.13 -1.26 -5.32 120.64 112.94 1n6m n GLU 595 Ca 0.00 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.81 1n6m n GLU 595 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 1n6m n GLU 595 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1n6m n THR 596 N -0.40 1.59 0.00 6.31 -2.24 -1.26 -4.61 114.28 113.67 1n6m n THR 596 Ca 0.00 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1n6m n THR 596 Cb 0.00 -1.45 0.00 0.00 -2.10 0.00 0.00 70.33 66.78 1n6m n THR 596 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1n6m n LYS 597 N 1.78 0.00 -0.32 -0.78 5.02 -1.26 -3.07 118.16 119.54 1n6m n LYS 597 Ca 0.05 0.66 0.27 0.00 -2.02 0.00 0.00 58.31 57.27 1n6m n LYS 597 Cb 0.42 -1.36 0.60 0.00 -0.02 0.00 0.00 35.03 34.66 1n6m n LYS 597 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1n6m h ASN 598 N 0.00 0.28 0.26 4.39 2.35 -1.98 -1.17 115.58 119.71 1n6m h ASN 598 Ca 0.00 0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.76 1n6m h ASN 598 Cb 0.00 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1n6m h ASN 598 CO 0.00 0.05 -0.24 0.40 -1.65 0.00 0.00 177.43 175.99 1n6m h ILE 599 N 0.25 1.14 0.00 2.81 2.04 -1.88 -0.62 117.51 121.25 1n6m h ILE 599 Ca 0.58 -0.84 -0.21 0.00 1.00 0.00 0.00 64.86 65.40 1n6m h ILE 599 Cb 1.77 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 39.27 1n6m h ILE 599 CO -0.20 0.24 -1.00 0.11 0.00 0.00 0.00 178.15 177.30 1n6m h LYS 600 N 0.00 0.00 0.27 2.37 1.79 -1.25 -3.07 116.57 116.68 1n6m h LYS 600 Ca -0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.45 1n6m h LYS 600 Cb 0.44 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 1n6m h LYS 600 CO 0.03 0.97 -0.13 -0.09 -1.08 0.00 0.00 179.45 179.15 1n6m h ARG 601 N 0.00 -0.35 -0.60 3.15 9.65 -1.18 -2.59 114.38 122.46 1n6m h ARG 601 Ca -0.02 0.02 0.06 0.00 -1.10 0.00 0.00 59.98 58.95 1n6m h ARG 601 Cb 1.76 0.08 -0.10 0.00 -1.39 0.00 0.00 29.97 30.32 1n6m h ARG 601 CO 0.13 -0.23 -0.56 0.66 2.80 0.00 0.00 179.97 182.76 1n6m h SER 602 N -0.41 -1.94 -0.91 -3.80 4.64 -1.26 0.38 113.55 110.25 1n6m h SER 602 Ca -0.04 0.27 0.13 0.00 -0.47 0.00 0.00 61.79 61.68 1n6m h SER 602 Cb 0.28 0.82 -0.09 0.00 -0.31 0.00 0.00 62.40 63.10 1n6m h SER 602 CO 0.06 -0.35 0.53 -0.07 -0.87 0.00 0.00 176.83 176.13 1n6m h LEU 603 N -0.27 0.73 -0.30 5.97 4.07 -1.64 0.29 115.31 124.16 1n6m h LEU 603 Ca 0.11 0.07 -0.17 0.00 0.08 0.00 0.00 57.88 57.96 1n6m h LEU 603 Cb 0.54 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 42.21 1n6m h LEU 603 CO -0.71 0.36 -0.48 0.28 -1.08 0.00 0.00 178.44 176.82 1n6m h SER 604 N 0.81 0.94 -0.54 -0.43 0.02 -0.79 -1.00 113.55 112.56 1n6m h SER 604 Ca 0.47 -0.52 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1n6m h SER 604 Cb 0.55 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 1n6m h SER 604 CO -0.30 1.27 0.34 -0.33 -1.14 0.00 0.00 176.83 176.67 1n6m h GLU 605 N 0.63 0.72 -0.12 3.45 4.39 0.94 0.20 114.58 124.79 1n6m h GLU 605 Ca 0.03 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1n6m h GLU 605 Cb 1.08 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.57 1n6m h GLU 605 CO 0.11 0.50 0.06 1.25 -1.16 0.00 0.00 179.01 179.77 1n6m h LEU 606 N 0.72 0.16 -0.42 1.33 7.12 -0.42 -0.84 115.31 122.96 1n6m h LEU 606 Ca 0.19 -0.12 0.00 0.00 0.13 0.00 0.00 57.88 58.08 1n6m h LEU 606 Cb -0.04 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.05 1n6m h LEU 606 CO -0.04 0.24 0.00 0.35 -0.13 0.00 0.00 178.44 178.86 1n6m n THR 607 N -4.93 0.84 0.06 1.05 -2.24 -0.39 -2.17 114.28 106.50 1n6m n THR 607 Ca -0.05 0.19 -0.23 0.00 -2.27 0.00 0.00 64.05 61.70 1n6m n THR 607 Cb 0.09 -1.05 -0.15 0.00 -2.10 0.00 0.00 70.33 67.12 1n6m n THR 607 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1n6m h ASN 608 N 0.00 0.57 -0.08 3.42 -0.26 -0.13 -2.99 115.58 116.10 1n6m h ASN 608 Ca 0.00 -0.94 -0.05 0.00 -0.56 0.00 0.00 56.30 54.76 1n6m h ASN 608 Cb 0.36 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.42 1n6m h ASN 608 CO 0.00 1.79 -0.07 0.58 -1.06 0.00 0.00 177.43 178.67 1n6m h VAL 609 N 0.06 1.18 -0.13 2.81 2.07 -0.86 0.37 116.25 121.76 1n6m h VAL 609 Ca -0.35 -0.75 -0.22 0.00 0.82 0.00 0.00 66.70 66.20 1n6m h VAL 609 Cb 2.06 1.09 0.01 0.00 -1.52 0.00 0.00 31.29 32.93 1n6m h VAL 609 CO 0.15 0.24 -0.77 0.40 0.02 0.00 0.00 177.57 177.61 1n6m h ILE 610 N 0.33 1.29 -0.06 4.57 2.04 -1.55 -0.16 117.51 123.96 1n6m h ILE 610 Ca 0.07 -1.98 -0.06 0.00 1.00 0.00 0.00 64.86 63.89 1n6m h ILE 610 Cb 0.34 2.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 1n6m h ILE 610 CO 0.02 0.62 -0.24 -0.07 0.00 0.00 0.00 178.15 178.48 1n6m h LEU 611 N 0.48 0.10 0.08 1.44 3.38 -1.21 -0.83 115.31 118.74 1n6m h LEU 611 Ca -0.06 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1n6m h LEU 611 Cb 1.41 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1n6m h LEU 611 CO 0.16 0.34 -0.04 0.00 0.09 0.00 0.00 178.44 178.99 1n6m h ALA 612 N 1.67 -0.11 -1.01 1.53 0.00 -0.16 -2.69 119.26 118.49 1n6m h ALA 612 Ca 0.02 -0.27 0.28 0.00 0.00 0.00 0.00 54.91 54.94 1n6m h ALA 612 Cb 0.47 0.04 -0.13 0.00 0.00 0.00 0.00 17.79 18.17 1n6m h ALA 612 CO 0.03 -0.25 0.60 -0.07 0.00 0.00 0.00 179.25 179.56 1n6m h LEU 613 N -0.73 0.59 -0.10 0.00 4.07 -0.69 -1.09 115.31 117.36 1n6m h LEU 613 Ca -0.01 0.16 -0.01 0.00 0.08 0.00 0.00 57.88 58.09 1n6m h LEU 613 Cb 0.57 0.08 -0.00 0.00 1.08 0.00 0.00 40.66 42.39 1n6m h LEU 613 CO 0.02 -0.00 0.01 -0.07 -1.08 0.00 0.00 178.44 177.32 1n6m h LEU 614 N 0.45 0.16 -0.59 1.67 3.38 -1.07 -2.94 115.31 116.37 1n6m h LEU 614 Ca 0.68 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1n6m h LEU 614 Cb 1.46 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.17 1n6m h LEU 614 CO -0.52 0.40 0.00 0.00 0.09 0.00 0.00 178.44 178.41 1n6m n GLN 615 N -4.85 1.29 -3.47 1.13 6.02 -0.50 -4.87 117.38 112.14 1n6m n GLN 615 Ca -0.06 -0.37 -0.25 0.00 -0.01 0.00 0.00 57.00 56.31 1n6m n GLN 615 Cb 0.18 -1.20 0.03 0.00 1.02 0.00 0.00 30.24 30.27 1n6m n GLN 615 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1n6m n LYS 616 N -0.14 -5.07 -1.73 -1.09 5.02 -0.70 -4.90 118.16 109.55 1n6m n LYS 616 Ca 0.03 0.68 -0.42 0.00 -2.02 0.00 0.00 58.31 56.59 1n6m n LYS 616 Cb 0.15 -5.54 -0.02 0.00 -0.02 0.00 0.00 35.03 29.60 1n6m n LYS 616 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1n6m n GLN 617 N -4.28 2.62 0.28 1.97 6.02 -0.91 -4.95 117.38 118.14 1n6m n GLN 617 Ca -0.02 0.93 -0.14 0.00 -0.01 0.00 0.00 57.00 57.76 1n6m n GLN 617 Cb 0.56 -2.71 -0.08 0.00 1.02 0.00 0.00 30.24 29.04 1n6m n GLN 617 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1n6m h ASP 618 N 4.91 -0.62 -3.45 1.08 3.45 -1.92 -3.41 116.42 116.46 1n6m h ASP 618 Ca -0.46 -0.05 -0.71 0.00 0.43 0.00 0.00 57.03 56.24 1n6m h ASP 618 Cb 1.23 0.16 -0.31 0.00 -0.56 0.00 0.00 39.33 39.85 1n6m h ASP 618 CO 0.80 -0.26 -0.49 -2.28 -1.57 0.00 0.00 179.24 175.44 1n6m s HIS 619 N -4.80 3.43 -0.17 4.55 2.46 -1.26 -5.07 115.29 114.42 1n6m s HIS 619 Ca -0.14 -1.89 -0.14 0.00 0.47 0.00 0.00 55.06 53.35 1n6m s HIS 619 Cb 0.02 -3.10 -0.05 0.00 -0.13 0.00 0.00 32.58 29.32 1n6m s HIS 619 CO 0.49 -0.92 0.30 0.42 -2.47 0.00 0.00 174.74 172.57 1n6m s ILE 620 N 1.32 5.29 -1.36 0.89 1.01 -1.26 -5.03 121.20 122.06 1n6m s ILE 620 Ca 0.05 0.55 -0.14 0.00 0.00 0.00 0.00 60.65 61.11 1n6m s ILE 620 Cb -0.23 -3.64 0.09 0.00 0.01 0.00 0.00 42.46 38.68 1n6m s ILE 620 CO -0.01 0.36 1.95 -0.81 0.00 0.00 0.00 174.94 176.43 1n6m n PRO 621 N 3.81 3.14 0.21 2.79 -0.04 -1.26 -4.78 135.00 138.87 1n6m n PRO 621 Ca -0.11 -3.09 0.05 0.00 -0.04 0.00 0.00 63.50 60.31 1n6m n PRO 621 Cb 0.52 -3.25 0.47 0.00 -0.04 0.00 0.00 33.50 31.20 1n6m n PRO 621 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1n6m h TYR 622 N 6.49 0.00 0.00 0.54 -1.99 -1.96 -2.90 116.97 117.16 1n6m h TYR 622 Ca 0.48 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.21 1n6m h TYR 622 Cb 0.72 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.45 1n6m h TYR 622 CO 1.37 0.24 0.00 0.54 -0.00 0.00 0.00 178.16 180.32 1n6m n ARG 623 N -4.19 0.08 0.00 4.88 1.74 -1.26 -2.39 116.66 115.52 1n6m n ARG 623 Ca -0.02 0.21 0.03 0.00 -0.77 0.00 0.00 57.85 57.30 1n6m n ARG 623 Cb 0.30 -1.50 0.15 0.00 -1.02 0.00 0.00 32.46 30.39 1n6m n ARG 623 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1n6m n ASN 624 N -1.42 0.00 -3.55 0.55 4.13 -1.10 -4.65 115.26 109.22 1n6m n ASN 624 Ca 0.05 0.04 -0.17 0.00 1.68 0.00 0.00 54.58 56.17 1n6m n ASN 624 Cb 0.15 -0.16 -0.06 0.00 -1.54 0.00 0.00 39.78 38.17 1n6m n ASN 624 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1n6m s SER 625 N -2.31 -0.67 0.12 6.41 0.15 -1.21 -4.97 113.70 111.22 1n6m s SER 625 Ca 0.07 0.86 -0.27 0.00 0.70 0.00 0.00 55.95 57.31 1n6m s SER 625 Cb 0.04 0.74 -0.07 0.00 -1.71 0.00 0.00 66.02 65.01 1n6m s SER 625 CO 0.07 -0.52 1.63 0.50 1.20 0.00 0.00 173.24 176.12 1n6m h LYS 626 N 3.48 -0.44 0.62 5.44 1.63 -1.87 -1.88 116.57 123.55 1n6m h LYS 626 Ca -0.27 0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.53 1n6m h LYS 626 Cb 1.15 0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.86 1n6m h LYS 626 CO 0.31 -0.30 -0.47 1.25 -3.45 0.00 0.00 179.45 176.80 1n6m h LEU 627 N -0.46 -1.24 -1.96 5.20 5.85 -1.97 -0.03 115.31 120.71 1n6m h LEU 627 Ca 0.04 0.08 0.15 0.00 0.84 0.00 0.00 57.88 58.99 1n6m h LEU 627 Cb 0.51 0.38 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 1n6m h LEU 627 CO -0.18 -0.67 0.49 0.71 -0.34 0.00 0.00 178.44 178.44 1n6m h THR 628 N -1.05 0.42 0.14 1.05 1.35 -1.77 0.30 112.91 113.35 1n6m h THR 628 Ca -0.08 0.00 -0.28 0.00 -0.55 0.00 0.00 66.41 65.49 1n6m h THR 628 Cb 0.87 0.62 0.01 0.00 -1.73 0.00 0.00 68.15 67.92 1n6m h THR 628 CO 0.03 0.00 -1.30 -0.74 -0.25 0.00 0.00 175.52 173.25 1n6m h HIS 629 N 0.00 0.52 -0.41 4.73 -0.00 -0.79 -2.60 115.15 116.60 1n6m h HIS 629 Ca 0.24 -0.38 -0.10 0.00 -0.00 0.00 0.00 60.37 60.13 1n6m h HIS 629 Cb 1.21 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 28.59 1n6m h HIS 629 CO 0.00 1.32 -0.12 1.25 -0.00 0.00 0.00 177.93 180.37 1n6m h LEU 630 N 0.08 0.82 -1.03 0.26 5.85 0.15 -3.19 115.31 118.24 1n6m h LEU 630 Ca -0.16 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.19 1n6m h LEU 630 Cb 1.99 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.80 1n6m h LEU 630 CO 0.20 1.01 -0.08 0.18 -0.34 0.00 0.00 178.44 179.41 1n6m n LEU 631 N -4.30 1.68 -0.30 2.25 4.77 -0.50 -4.61 117.00 116.00 1n6m n LEU 631 Ca -0.01 -0.55 0.15 0.00 -0.03 0.00 0.00 56.01 55.57 1n6m n LEU 631 Cb 0.38 -0.02 0.28 0.00 -2.33 0.00 0.00 43.42 41.73 1n6m n LEU 631 CO 0.43 0.29 0.71 0.80 -1.33 0.00 0.00 177.39 178.30 1n6m n MET 632 N 0.20 -0.07 0.00 3.23 1.56 -0.98 0.14 117.12 121.20 1n6m n MET 632 Ca 0.16 1.28 0.12 0.00 -0.27 0.00 0.00 57.70 58.99 1n6m n MET 632 Cb 0.40 -2.06 0.66 0.00 2.15 0.00 0.00 33.22 34.37 1n6m n MET 632 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 1n6m n PRO 633 N -5.21 0.53 -0.02 2.12 -0.04 -1.26 -2.28 135.00 128.84 1n6m n PRO 633 Ca 0.22 0.03 0.05 0.00 -0.04 0.00 0.00 63.50 63.77 1n6m n PRO 633 Cb 0.72 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.74 1n6m n PRO 633 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1n6m n SER 634 N -1.16 2.04 -0.38 3.54 7.64 0.38 -4.14 113.62 121.54 1n6m n SER 634 Ca 0.15 -1.53 0.04 0.00 1.01 0.00 0.00 58.87 58.53 1n6m n SER 634 Cb 0.14 -0.03 0.08 0.00 -1.01 0.00 0.00 64.21 63.39 1n6m n SER 634 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1n6m n LEU 635 N 0.60 2.31 0.00 -3.43 4.77 -0.86 -4.52 117.00 115.87 1n6m n LEU 635 Ca 0.07 -1.70 0.00 0.00 -0.03 0.00 0.00 56.01 54.35 1n6m n LEU 635 Cb 0.29 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1n6m n LEU 635 CO 0.07 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1n6m n GLY 636 N 0.25 -1.58 0.00 -0.72 0.00 -1.14 -4.94 105.19 97.05 1n6m n GLY 636 Ca 0.07 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1n6m n GLY 636 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n6m n GLY 637 N 2.00 0.08 0.44 -0.02 0.00 -1.26 -4.21 105.19 102.22 1n6m n GLY 637 Ca 0.00 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.29 1n6m n GLY 637 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1n6m h ASN 638 N 0.00 0.32 -2.26 1.61 2.35 -1.96 -3.44 115.58 112.21 1n6m h ASN 638 Ca 0.00 0.07 -0.57 0.00 -0.55 0.00 0.00 56.30 55.25 1n6m h ASN 638 Cb 0.00 0.02 0.21 0.00 0.05 0.00 0.00 38.32 38.60 1n6m h ASN 638 CO 0.00 0.04 -1.36 -1.20 -1.65 0.00 0.00 177.43 173.26 1n6m n SER 639 N -4.53 -4.38 -4.16 5.81 7.64 -1.26 -4.83 113.62 107.91 1n6m n SER 639 Ca 0.26 0.40 -0.23 0.00 1.01 0.00 0.00 58.87 60.31 1n6m n SER 639 Cb 1.01 -0.88 -0.15 0.00 -1.01 0.00 0.00 64.21 63.19 1n6m n SER 639 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1n6m s LYS 640 N -1.90 1.23 -0.05 1.43 3.01 -0.77 -4.87 119.74 117.81 1n6m s LYS 640 Ca 0.50 -0.68 -0.00 0.00 -1.01 0.00 0.00 55.97 54.77 1n6m s LYS 640 Cb -0.31 -1.23 0.02 0.00 -1.01 0.00 0.00 37.83 35.31 1n6m s LYS 640 CO 0.73 0.33 -0.02 0.99 0.51 0.00 0.00 175.35 177.89 1n6m s THR 641 N -0.56 0.43 -0.10 2.17 2.01 0.90 -1.74 115.64 118.74 1n6m s THR 641 Ca 0.05 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 62.03 1n6m s THR 641 Cb -0.07 -0.52 -0.03 0.00 0.01 0.00 0.00 72.50 71.89 1n6m s THR 641 CO 0.00 0.23 0.01 -0.76 -0.69 0.00 0.00 174.62 173.41 1n6m s LEU 642 N 1.37 3.59 -0.13 4.42 1.02 0.24 -1.89 118.68 127.30 1n6m s LEU 642 Ca -0.04 0.12 -0.02 0.00 0.02 0.00 0.00 54.13 54.21 1n6m s LEU 642 Cb -0.13 -1.83 0.04 0.00 0.02 0.00 0.00 46.19 44.29 1n6m s LEU 642 CO -0.02 0.34 0.01 -0.32 0.02 0.00 0.00 176.35 176.38 1n6m s MET 643 N -0.67 0.74 -0.35 1.70 -2.45 -0.97 -1.53 119.30 115.77 1n6m s MET 643 Ca 0.11 -0.18 -0.11 0.00 -1.25 0.00 0.00 55.69 54.25 1n6m s MET 643 Cb -0.12 -1.57 0.01 0.00 1.25 0.00 0.00 34.83 34.40 1n6m s MET 643 CO 0.02 -0.45 0.21 -0.06 1.05 0.00 0.00 175.02 175.78 1n6m s PHE 644 N 1.88 3.22 -0.46 4.11 0.08 -0.33 -0.14 117.98 126.34 1n6m s PHE 644 Ca 0.02 -0.69 -0.21 0.00 0.12 0.00 0.00 56.93 56.17 1n6m s PHE 644 Cb -0.15 -2.44 0.03 0.00 -0.57 0.00 0.00 43.02 39.90 1n6m s PHE 644 CO -0.07 -0.54 0.66 0.42 -0.10 0.00 0.00 175.22 175.59 1n6m s ILE 645 N 1.61 4.81 0.14 0.64 -1.09 0.32 -1.37 121.20 126.26 1n6m s ILE 645 Ca 0.04 -0.03 -0.21 0.00 -2.23 0.00 0.00 60.65 58.22 1n6m s ILE 645 Cb -0.18 -4.25 -0.07 0.00 -1.58 0.00 0.00 42.46 36.37 1n6m s ILE 645 CO 0.07 -0.68 0.67 0.20 -1.23 0.00 0.00 174.94 173.97 1n6m s ASN 646 N 2.22 7.15 0.02 3.58 -0.87 -0.31 -0.10 114.94 126.64 1n6m s ASN 646 Ca 0.21 1.41 -0.03 0.00 -1.57 0.00 0.00 52.86 52.88 1n6m s ASN 646 Cb -0.15 -2.41 -0.02 0.00 -0.02 0.00 0.00 41.25 38.65 1n6m s ASN 646 CO 0.17 0.19 0.03 -0.69 -2.57 0.00 0.00 177.10 174.24 1n6m s VAL 647 N -1.24 0.12 -0.16 1.60 1.01 -0.21 -4.52 120.40 117.00 1n6m s VAL 647 Ca 0.35 -0.98 -0.07 0.00 0.00 0.00 0.00 61.98 61.28 1n6m s VAL 647 Cb -0.20 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 1n6m s VAL 647 CO 0.22 -0.54 0.07 -0.44 0.00 0.00 0.00 175.10 174.41 1n6m s SER 648 N -1.71 5.77 0.41 3.32 0.01 -1.26 -1.31 113.70 118.93 1n6m s SER 648 Ca -0.11 0.18 0.22 0.00 1.31 0.00 0.00 55.95 57.54 1n6m s SER 648 Cb -0.06 -1.92 0.80 0.00 0.21 0.00 0.00 66.02 65.04 1n6m s SER 648 CO -0.02 0.25 1.78 1.55 0.41 0.00 0.00 173.24 177.20 1n6m h PRO 649 N 6.15 0.00 -6.85 12.44 0.13 -1.95 -3.45 132.00 138.47 1n6m h PRO 649 Ca -0.43 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.14 1n6m h PRO 649 Cb 1.18 0.00 0.17 0.00 0.13 0.00 0.00 31.00 32.48 1n6m h PRO 649 CO 0.66 0.27 0.08 1.19 -0.23 0.00 0.00 178.00 179.98 1n6m n PHE 650 N -3.41 0.66 0.10 1.56 3.72 -1.26 0.80 117.46 119.62 1n6m n PHE 650 Ca 0.00 0.42 -0.12 0.00 -0.05 0.00 0.00 57.45 57.70 1n6m n PHE 650 Cb 0.47 -2.11 -0.05 0.00 -0.94 0.00 0.00 39.48 36.85 1n6m n PHE 650 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1n6m h GLN 651 N 0.24 -0.35 -0.11 -1.08 5.75 -1.58 -2.43 115.11 115.55 1n6m h GLN 651 Ca -0.48 0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.07 1n6m h GLN 651 Cb 1.36 0.08 -0.00 0.00 1.07 0.00 0.00 27.48 29.99 1n6m h GLN 651 CO 0.49 -0.23 0.35 0.38 -2.65 0.00 0.00 178.83 177.17 1n6m h ASP 652 N -0.36 0.00 0.08 -0.69 2.03 -1.89 0.24 116.42 115.82 1n6m h ASP 652 Ca 0.03 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.33 1n6m h ASP 652 Cb 0.39 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.89 1n6m h ASP 652 CO -0.12 0.00 -0.20 0.00 -1.03 0.00 0.00 179.24 177.90 1n6m h PHE 654 N 2.24 -0.94 -0.54 0.00 3.04 -0.48 1.47 116.94 121.73 1n6m h PHE 654 Ca 0.00 0.07 -0.12 0.00 3.98 0.00 0.00 57.97 61.90 1n6m h PHE 654 Cb 0.62 0.49 -0.02 0.00 2.56 0.00 0.00 35.95 39.60 1n6m h PHE 654 CO 0.00 -0.38 -0.13 0.37 -2.02 0.00 0.00 178.31 176.14 1n6m h GLN 655 N -0.19 1.04 0.03 1.11 4.15 -1.80 -0.27 115.11 119.18 1n6m h GLN 655 Ca 0.21 -0.40 -0.00 0.00 0.77 0.00 0.00 58.65 59.23 1n6m h GLN 655 Cb 0.55 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.18 1n6m h GLN 655 CO -0.64 1.09 -0.02 1.49 -1.93 0.00 0.00 178.83 178.83 1n6m h GLU 656 N 0.92 -0.04 -0.98 1.69 4.57 -1.55 -2.09 114.58 117.09 1n6m h GLU 656 Ca 0.14 0.00 0.10 0.00 -1.18 0.00 0.00 59.36 58.42 1n6m h GLU 656 Cb 0.71 0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 29.23 1n6m h GLU 656 CO 0.05 0.27 0.62 0.77 -1.18 0.00 0.00 179.01 179.55 1n6m h SER 657 N -0.36 0.92 0.15 1.04 0.02 0.21 0.82 113.55 116.35 1n6m h SER 657 Ca -0.00 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 60.91 1n6m h SER 657 Cb 0.34 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1n6m h SER 657 CO 0.01 0.53 -0.24 0.58 -1.14 0.00 0.00 176.83 176.57 1n6m h VAL 658 N 1.01 1.21 0.17 2.27 2.07 -0.90 -1.46 116.25 120.63 1n6m h VAL 658 Ca 0.46 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1n6m h VAL 658 Cb 0.40 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1n6m h VAL 658 CO -0.22 0.30 -0.08 0.11 0.02 0.00 0.00 177.57 177.69 1n6m h LYS 659 N 0.15 -0.23 0.14 1.57 1.57 -0.15 -2.01 116.57 117.60 1n6m h LYS 659 Ca 0.03 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1n6m h LYS 659 Cb 0.51 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 1n6m h LYS 659 CO 0.04 0.06 -0.37 0.77 -0.57 0.00 0.00 179.45 179.38 1n6m h SER 660 N -0.51 -1.08 -0.87 0.86 0.02 -1.08 -1.53 113.55 109.36 1n6m h SER 660 Ca -0.02 0.11 0.25 0.00 -0.84 0.00 0.00 61.79 61.29 1n6m h SER 660 Cb 0.39 0.39 -0.03 0.00 0.14 0.00 0.00 62.40 63.29 1n6m h SER 660 CO 0.04 -0.40 0.73 -0.07 -1.14 0.00 0.00 176.83 175.99 1n6m h LEU 661 N -0.56 0.00 0.00 5.07 3.38 -1.31 -1.48 115.31 120.41 1n6m h LEU 661 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1n6m h LEU 661 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1n6m h LEU 661 CO -0.17 0.00 0.00 0.54 0.09 0.00 0.00 178.44 178.90 1n6m n ARG 662 N -3.93 0.02 0.13 1.13 1.74 -0.58 -0.50 116.66 114.67 1n6m n ARG 662 Ca 0.18 0.32 0.03 0.00 -0.77 0.00 0.00 57.85 57.61 1n6m n ARG 662 Cb 1.03 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.98 1n6m n ARG 662 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1n6m h PHE 663 N 0.00 0.00 0.00 -1.55 3.57 -1.41 -3.23 116.94 114.32 1n6m h PHE 663 Ca 0.00 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 1n6m h PHE 663 Cb 0.02 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 1n6m h PHE 663 CO 0.00 0.49 -0.25 0.00 -2.23 0.00 0.00 178.31 176.31 1n6m h ALA 664 N 1.51 1.47 0.08 2.41 0.00 -1.01 -1.68 119.26 122.05 1n6m h ALA 664 Ca -0.03 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 1n6m h ALA 664 Cb 1.39 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.16 1n6m h ALA 664 CO 0.06 0.31 -0.54 0.00 0.00 0.00 0.00 179.25 179.09 1n6m h ALA 665 N 1.75 -0.04 0.00 0.00 0.00 -1.69 -3.17 119.26 116.11 1n6m h ALA 665 Ca -0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1n6m h ALA 665 Cb 0.48 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1n6m h ALA 665 CO 0.03 0.25 0.00 -1.13 0.00 0.00 0.00 179.25 178.40 1n6m n SER 666 N -4.29 0.47 -0.04 0.00 3.41 -1.16 -0.18 113.62 111.83 1n6m n SER 666 Ca -0.12 0.61 -0.16 0.00 -0.26 0.00 0.00 58.87 58.94 1n6m n SER 666 Cb 0.69 -0.71 -0.13 0.00 -0.26 0.00 0.00 64.21 63.79 1n6m n SER 666 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1n6m h VAL 667 N 0.00 1.70 0.00 -3.33 2.07 -1.35 -3.33 116.25 112.02 1n6m h VAL 667 Ca 0.00 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 65.12 1n6m h VAL 667 Cb 0.35 3.33 0.00 0.00 -1.52 0.00 0.00 31.29 33.45 1n6m h VAL 667 CO 0.00 0.64 -0.89 -0.55 0.02 0.00 0.00 177.57 176.79 1n6m h ASN 668 N -0.82 0.00 0.39 0.57 -0.00 -1.51 -3.08 115.58 111.14 1n6m h ASN 668 Ca -0.05 -0.04 0.00 0.00 -0.00 0.00 0.00 56.30 56.22 1n6m h ASN 668 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.51 1n6m h ASN 668 CO 0.04 0.02 0.00 0.77 -0.00 0.00 0.00 177.43 178.26 1n6m h SER 669 N 0.00 0.00 0.21 6.14 4.64 -0.73 3.22 113.55 127.03 1n6m h SER 669 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n6m h SER 669 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1n6m h SER 669 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96