#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m8r s GLU 295 N 0.00 4.21 -0.29 3.23 2.12 -0.40 -4.70 118.70 122.87 3m8r s GLU 295 Ca 0.00 2.38 -0.27 0.00 0.36 0.00 0.00 54.97 57.44 3m8r s GLU 295 Cb 0.00 -3.13 0.01 0.00 0.26 0.00 0.00 34.13 31.27 3m8r s GLU 295 CO 0.00 -0.58 0.95 -1.21 -0.54 0.00 0.00 175.26 173.88 3m8r s GLU 296 N 0.77 4.08 0.17 4.30 0.41 -1.26 -1.18 118.70 125.99 3m8r s GLU 296 Ca 0.68 0.96 0.09 0.00 -0.41 0.00 0.00 54.97 56.29 3m8r s GLU 296 Cb -0.44 -3.71 -0.04 0.00 -1.78 0.00 0.00 34.13 28.16 3m8r s GLU 296 CO 0.34 -0.74 -0.10 0.00 -0.49 0.00 0.00 175.26 174.27 3m8r s ALA 297 N 3.27 2.94 0.50 5.21 0.00 -0.91 -4.92 121.76 127.85 3m8r s ALA 297 Ca 0.40 -1.45 -0.21 0.00 0.00 0.00 0.00 51.96 50.69 3m8r s ALA 297 Cb -0.14 -0.75 -0.06 0.00 0.00 0.00 0.00 23.12 22.17 3m8r s ALA 297 CO 0.12 0.48 1.17 -2.14 0.00 0.00 0.00 175.76 175.39 3m8r s PRO 298 N -2.76 3.54 0.45 0.00 0.02 -1.26 -4.08 135.00 130.91 3m8r s PRO 298 Ca 0.24 1.75 -0.23 0.00 0.02 0.00 0.00 61.00 62.78 3m8r s PRO 298 Cb -0.09 -2.24 -0.07 0.00 0.02 0.00 0.00 34.50 32.12 3m8r s PRO 298 CO 0.15 -0.73 1.18 -0.46 -0.33 0.00 0.00 177.00 176.81 3m8r s TRP 299 N -1.61 2.88 0.64 6.54 -0.11 -1.26 -4.53 118.94 121.49 3m8r s TRP 299 Ca 0.68 1.53 -0.01 0.00 1.22 0.00 0.00 56.10 59.52 3m8r s TRP 299 Cb -0.28 -3.41 0.08 0.00 -1.50 0.00 0.00 33.47 28.36 3m8r s TRP 299 CO 0.33 -1.55 0.90 -1.25 -4.62 0.00 0.00 176.95 170.75 3m8r s PRO 300 N -2.63 2.13 0.65 5.86 0.04 -1.26 -5.09 135.00 134.70 3m8r s PRO 300 Ca 0.63 -0.86 -0.07 0.00 0.04 0.00 0.00 61.00 60.73 3m8r s PRO 300 Cb -0.30 -2.38 0.03 0.00 0.04 0.00 0.00 34.50 31.89 3m8r s PRO 300 CO 0.36 -1.09 0.98 -1.25 0.04 0.00 0.00 177.00 176.04 3m8r s PRO 301 N -4.98 2.64 0.81 0.56 0.04 -1.26 -5.03 135.00 127.78 3m8r s PRO 301 Ca 0.61 -0.01 -0.12 0.00 0.04 0.00 0.00 61.00 61.53 3m8r s PRO 301 Cb -0.08 -2.19 0.08 0.00 0.04 0.00 0.00 34.50 32.35 3m8r s PRO 301 CO 0.42 -0.96 1.13 -1.25 0.04 0.00 0.00 177.00 176.37 3m8r s PRO 302 N -5.16 1.95 0.33 0.56 0.04 -1.26 -4.97 135.00 126.50 3m8r s PRO 302 Ca 0.57 0.39 -0.28 0.00 0.04 0.00 0.00 61.00 61.71 3m8r s PRO 302 Cb -0.11 -1.92 -0.12 0.00 0.04 0.00 0.00 34.50 32.39 3m8r s PRO 302 CO 0.46 -1.66 1.36 -1.91 0.04 0.00 0.00 177.00 175.29 3m8r n GLU 303 N -3.41 2.26 -0.57 4.56 2.13 -1.26 -2.70 120.64 121.65 3m8r n GLU 303 Ca 0.07 0.79 0.00 0.00 0.66 0.00 0.00 57.16 58.69 3m8r n GLU 303 Cb 0.58 -2.43 0.00 0.00 0.27 0.00 0.00 31.44 29.87 3m8r n GLU 303 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3m8r n GLY 304 N 0.94 0.76 3.78 8.31 0.00 -1.26 -5.04 105.19 112.68 3m8r n GLY 304 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 3m8r n GLY 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m8r s ALA 305 N -2.69 2.69 -0.04 4.61 0.00 -1.10 -5.01 121.76 120.22 3m8r s ALA 305 Ca 0.00 0.72 -0.23 0.00 0.00 0.00 0.00 51.96 52.45 3m8r s ALA 305 Cb 0.00 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 3m8r s ALA 305 CO 0.00 -0.79 0.68 -0.06 0.00 0.00 0.00 175.76 175.60 3m8r s PHE 306 N -1.94 3.62 0.24 0.00 0.08 -0.40 -4.57 117.98 115.00 3m8r s PHE 306 Ca 0.70 1.26 -0.07 0.00 0.12 0.00 0.00 56.93 58.95 3m8r s PHE 306 Cb -0.22 -2.76 -0.06 0.00 -0.57 0.00 0.00 43.02 39.41 3m8r s PHE 306 CO 0.29 0.17 0.52 0.14 -0.10 0.00 0.00 175.22 176.23 3m8r s VAL 307 N 0.48 5.02 0.04 -0.44 -7.23 0.60 -0.39 120.40 118.47 3m8r s VAL 307 Ca 0.36 0.21 0.04 0.00 -1.81 0.00 0.00 61.98 60.78 3m8r s VAL 307 Cb -0.18 -3.67 -0.02 0.00 0.56 0.00 0.00 36.38 33.07 3m8r s VAL 307 CO 0.18 -0.15 -0.12 -0.83 -0.31 0.00 0.00 175.10 173.87 3m8r s GLY 308 N -2.71 0.70 -0.06 2.32 0.00 -0.20 -4.32 107.32 103.05 3m8r s GLY 308 Ca 0.45 -0.80 -0.30 0.00 0.00 0.00 0.00 44.72 44.07 3m8r s GLY 308 CO 0.25 -0.80 0.66 -0.11 0.00 0.00 0.00 173.10 173.11 3m8r s PHE 309 N -0.99 -0.64 -0.10 1.90 -0.71 -1.26 -0.76 117.98 115.42 3m8r s PHE 309 Ca -0.02 1.13 0.03 0.00 -1.04 0.00 0.00 56.93 57.03 3m8r s PHE 309 Cb -0.08 0.39 0.01 0.00 -1.21 0.00 0.00 43.02 42.12 3m8r s PHE 309 CO 0.01 -0.59 -0.19 0.08 -1.34 0.00 0.00 175.22 173.20 3m8r s VAL 310 N -1.11 1.70 0.06 -2.49 1.01 -0.76 -4.85 120.40 113.95 3m8r s VAL 310 Ca -0.11 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.12 3m8r s VAL 310 Cb -0.00 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 3m8r s VAL 310 CO 0.09 0.48 0.03 -0.76 0.00 0.00 0.00 175.10 174.95 3m8r s LEU 311 N 0.71 3.63 0.54 3.92 1.43 -1.26 -0.66 118.68 127.00 3m8r s LEU 311 Ca -0.12 -0.05 0.33 0.00 -1.03 0.00 0.00 54.13 53.26 3m8r s LEU 311 Cb -0.16 -2.25 1.42 0.00 0.03 0.00 0.00 46.19 45.23 3m8r s LEU 311 CO 0.02 0.21 2.01 0.77 0.23 0.00 0.00 176.35 179.59 3m8r h SER 312 N 3.67 0.00 -5.06 2.29 4.64 -1.56 -3.45 113.55 114.08 3m8r h SER 312 Ca -0.48 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.83 3m8r h SER 312 Cb 1.17 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.16 3m8r h SER 312 CO 0.61 0.05 0.08 0.00 -0.87 0.00 0.00 176.83 176.71 3m8r s ARG 313 N -3.78 1.37 0.36 4.77 1.70 -1.26 -4.95 118.95 117.16 3m8r s ARG 313 Ca -0.00 -0.77 0.15 0.00 -0.47 0.00 0.00 55.73 54.64 3m8r s ARG 313 Cb 0.10 0.54 0.69 0.00 -0.57 0.00 0.00 34.95 35.71 3m8r s ARG 313 CO 0.55 -0.59 1.77 1.57 -1.08 0.00 0.00 175.30 177.52 3m8r h LYS 314 N 2.15 0.00 -6.34 3.89 2.10 -1.99 -3.42 116.57 112.95 3m8r h LYS 314 Ca -0.29 0.00 -0.58 0.00 -2.00 0.00 0.00 60.65 57.78 3m8r h LYS 314 Cb 1.27 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 32.52 3m8r h LYS 314 CO 0.37 0.41 0.76 -1.21 -2.00 0.00 0.00 179.45 177.78 3m8r s GLU 315 N -3.89 3.82 0.43 0.07 8.01 -1.26 -4.93 118.70 120.96 3m8r s GLU 315 Ca -0.02 0.64 0.09 0.00 0.01 0.00 0.00 54.97 55.70 3m8r s GLU 315 Cb 0.13 -3.83 0.93 0.00 -4.31 0.00 0.00 34.13 27.04 3m8r s GLU 315 CO 0.71 -1.11 2.04 -1.00 0.01 0.00 0.00 175.26 175.92 3m8r h PRO 316 N 8.69 0.36 0.00 0.39 0.13 -1.87 -0.52 132.00 139.18 3m8r h PRO 316 Ca -0.23 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3m8r h PRO 316 Cb 1.07 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.12 3m8r h PRO 316 CO 1.05 0.29 0.00 0.52 -0.23 0.00 0.00 178.00 179.62 3m8r h MET 317 N 0.36 0.00 -0.00 0.86 2.86 -1.91 -3.14 114.93 113.95 3m8r h MET 317 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3m8r h MET 317 Cb 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 3m8r h MET 317 CO -0.01 0.00 -0.22 0.91 1.06 0.00 0.00 176.91 178.65 3m8r n TRP 318 N -2.86 0.00 -2.92 -0.22 7.02 -0.51 -5.05 117.44 112.90 3m8r n TRP 318 Ca 0.01 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.14 3m8r n TRP 318 Cb 0.26 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.09 3m8r n TRP 318 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3m8r s ALA 319 N -1.33 3.21 -0.05 6.99 0.00 -0.32 -4.92 121.76 125.34 3m8r s ALA 319 Ca 0.05 0.33 -0.22 0.00 0.00 0.00 0.00 51.96 52.12 3m8r s ALA 319 Cb 0.06 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.11 3m8r s ALA 319 CO 0.23 0.22 0.64 0.34 0.00 0.00 0.00 175.76 177.18 3m8r s ASP 320 N -1.93 6.94 -0.66 0.00 2.15 -1.26 -4.90 116.67 117.02 3m8r s ASP 320 Ca 0.53 1.13 -0.27 0.00 0.43 0.00 0.00 52.55 54.37 3m8r s ASP 320 Cb -0.14 -2.38 0.03 0.00 -0.30 0.00 0.00 42.92 40.14 3m8r s ASP 320 CO 0.19 -0.03 1.22 -0.22 -0.17 0.00 0.00 175.17 176.16 3m8r s LEU 321 N 0.45 3.35 0.09 -1.34 2.96 -1.26 -1.35 118.68 121.58 3m8r s LEU 321 Ca 0.34 -0.20 -0.09 0.00 -0.22 0.00 0.00 54.13 53.96 3m8r s LEU 321 Cb -0.18 -2.85 -0.21 0.00 0.50 0.00 0.00 46.19 43.46 3m8r s LEU 321 CO 0.17 -1.64 1.20 -0.07 -1.32 0.00 0.00 176.35 174.68 3m8r h LEU 322 N 12.41 0.66 -7.19 -0.68 3.38 -1.23 -3.44 115.31 119.22 3m8r h LEU 322 Ca -0.27 -0.59 -0.05 0.00 0.09 0.00 0.00 57.88 57.06 3m8r h LEU 322 Cb 1.05 -0.21 -0.15 0.00 0.09 0.00 0.00 40.66 41.45 3m8r h LEU 322 CO 1.23 1.41 0.06 0.00 0.09 0.00 0.00 178.44 181.22 3m8r s ALA 323 N -3.06 -1.33 -0.08 1.53 0.00 -1.19 -4.82 121.76 112.81 3m8r s ALA 323 Ca -0.07 0.51 -0.08 0.00 0.00 0.00 0.00 51.96 52.33 3m8r s ALA 323 Cb 0.07 0.50 0.02 0.00 0.00 0.00 0.00 23.12 23.71 3m8r s ALA 323 CO 0.90 -0.56 0.22 -1.17 0.00 0.00 0.00 175.76 175.14 3m8r s LEU 324 N -2.19 1.18 0.26 0.00 2.96 -1.26 -1.83 118.68 117.79 3m8r s LEU 324 Ca -0.03 0.42 -0.12 0.00 -0.22 0.00 0.00 54.13 54.17 3m8r s LEU 324 Cb -0.00 0.75 -0.00 0.00 0.50 0.00 0.00 46.19 47.43 3m8r s LEU 324 CO -0.05 -0.09 0.49 0.00 -1.32 0.00 0.00 176.35 175.39 3m8r s ALA 325 N 0.06 -0.20 0.09 5.97 0.00 0.06 -1.50 121.76 126.25 3m8r s ALA 325 Ca -0.01 -0.91 -0.12 0.00 0.00 0.00 0.00 51.96 50.93 3m8r s ALA 325 Cb -0.02 1.06 0.01 0.00 0.00 0.00 0.00 23.12 24.18 3m8r s ALA 325 CO 0.00 -0.86 0.27 0.00 0.00 0.00 0.00 175.76 175.18 3m8r s ALA 326 N -3.90 -0.50 -0.06 0.00 0.00 -0.11 -1.04 121.76 116.15 3m8r s ALA 326 Ca 0.23 -0.36 -0.05 0.00 0.00 0.00 0.00 51.96 51.78 3m8r s ALA 326 Cb -0.01 0.53 0.02 0.00 0.00 0.00 0.00 23.12 23.66 3m8r s ALA 326 CO 0.10 -0.54 0.15 0.00 0.00 0.00 0.00 175.76 175.47 3m8r s ALA 327 N -3.67 -0.35 -0.27 0.00 0.00 0.47 -0.47 121.76 117.46 3m8r s ALA 327 Ca 0.03 0.50 -0.28 0.00 0.00 0.00 0.00 51.96 52.21 3m8r s ALA 327 Cb 0.03 -0.31 0.17 0.00 0.00 0.00 0.00 23.12 23.02 3m8r s ALA 327 CO -0.10 -0.09 1.30 0.50 0.00 0.00 0.00 175.76 177.36 3m8r s ARG 328 N 0.36 0.19 -1.68 0.00 3.52 -0.87 -1.28 118.95 119.19 3m8r s ARG 328 Ca -0.02 0.11 -0.01 0.00 -0.13 0.00 0.00 55.73 55.67 3m8r s ARG 328 Cb -0.04 0.09 0.00 0.00 -1.56 0.00 0.00 34.95 33.45 3m8r s ARG 328 CO -0.01 -0.05 0.15 0.41 -0.81 0.00 0.00 175.30 174.99 3m8r n GLY 329 N 1.06 -0.51 1.85 8.12 0.00 -1.26 -1.47 105.19 112.98 3m8r n GLY 329 Ca -0.06 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3m8r n GLY 329 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m8r n GLY 330 N -1.13 0.43 3.36 -0.02 0.00 -1.26 -5.03 105.19 101.55 3m8r n GLY 330 Ca -0.21 -0.95 -0.20 0.00 0.00 0.00 0.00 46.02 44.67 3m8r n GLY 330 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m8r s ARG 331 N -1.73 1.36 -0.07 1.61 0.52 -0.54 -1.28 118.95 118.82 3m8r s ARG 331 Ca 0.00 -1.57 -0.01 0.00 -0.52 0.00 0.00 55.73 53.62 3m8r s ARG 331 Cb 0.00 -1.24 0.03 0.00 0.52 0.00 0.00 34.95 34.26 3m8r s ARG 331 CO 0.00 0.22 0.01 0.54 0.02 0.00 0.00 175.30 176.09 3m8r s VAL 332 N -2.73 0.30 -0.26 3.52 0.11 -0.33 -2.05 120.40 118.96 3m8r s VAL 332 Ca 0.22 0.17 -0.08 0.00 -2.93 0.00 0.00 61.98 59.36 3m8r s VAL 332 Cb -0.02 -0.47 -0.03 0.00 -1.53 0.00 0.00 36.38 34.33 3m8r s VAL 332 CO 0.08 0.25 0.09 -1.00 -3.33 0.00 0.00 175.10 171.18 3m8r s HIS 333 N 2.00 3.11 -0.21 1.54 0.09 0.37 -2.14 115.29 120.05 3m8r s HIS 333 Ca 0.05 -0.40 -0.08 0.00 -0.00 0.00 0.00 55.06 54.62 3m8r s HIS 333 Cb -0.12 -2.26 -0.04 0.00 -0.00 0.00 0.00 32.58 30.16 3m8r s HIS 333 CO -0.05 -0.36 0.08 1.03 -0.00 0.00 0.00 174.74 175.45 3m8r s ARG 334 N 1.62 3.93 -0.10 1.40 0.52 -1.26 -0.93 118.95 124.14 3m8r s ARG 334 Ca 0.06 -0.35 -0.30 0.00 -0.52 0.00 0.00 55.73 54.62 3m8r s ARG 334 Cb -0.15 -3.30 -0.03 0.00 0.52 0.00 0.00 34.95 31.99 3m8r s ARG 334 CO 0.04 0.15 1.25 0.00 0.02 0.00 0.00 175.30 176.75 3m8r s ALA 335 N 0.74 3.57 0.22 2.13 0.00 -0.56 -4.39 121.76 123.48 3m8r s ALA 335 Ca 0.04 0.57 -0.07 0.00 0.00 0.00 0.00 51.96 52.50 3m8r s ALA 335 Cb -0.13 -3.57 0.31 0.00 0.00 0.00 0.00 23.12 19.73 3m8r s ALA 335 CO 0.02 -0.95 1.79 -1.35 0.00 0.00 0.00 175.76 175.26 3m8r h PRO 336 N 7.82 0.61 -3.38 0.00 0.11 -1.97 -3.39 132.00 131.80 3m8r h PRO 336 Ca -0.31 -0.04 -0.49 0.00 0.11 0.00 0.00 66.00 65.27 3m8r h PRO 336 Cb 1.14 -0.14 -0.40 0.00 0.11 0.00 0.00 31.00 31.71 3m8r h PRO 336 CO 0.92 0.40 -0.76 -2.00 -0.21 0.00 0.00 178.00 176.35 3m8r s GLU 337 N -6.07 0.44 0.18 1.05 -6.30 -1.26 -5.07 118.70 101.67 3m8r s GLU 337 Ca -0.13 -0.27 -0.14 0.00 -2.50 0.00 0.00 54.97 51.93 3m8r s GLU 337 Cb 0.18 -1.95 0.17 0.00 0.00 0.00 0.00 34.13 32.53 3m8r s GLU 337 CO 0.76 -0.63 1.70 -1.35 0.02 0.00 0.00 175.26 175.76 3m8r h PRO 338 N 8.31 0.15 0.04 4.30 0.11 -1.87 -2.25 132.00 140.79 3m8r h PRO 338 Ca -0.16 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.94 3m8r h PRO 338 Cb 1.13 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3m8r h PRO 338 CO 0.31 0.10 -0.02 1.88 -0.21 0.00 0.00 178.00 180.06 3m8r h TYR 339 N 0.15 -0.06 -0.54 0.65 0.05 -1.97 -2.14 116.97 113.11 3m8r h TYR 339 Ca 0.24 -0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.97 3m8r h TYR 339 Cb 0.34 0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.07 3m8r h TYR 339 CO -0.27 -0.00 0.15 -0.22 -1.05 0.00 0.00 178.16 176.76 3m8r h LYS 340 N -0.09 0.82 0.00 4.88 3.64 -1.98 -2.45 116.57 121.39 3m8r h LYS 340 Ca -0.01 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.20 3m8r h LYS 340 Cb 0.08 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3m8r h LYS 340 CO 0.01 0.73 -0.10 0.00 -2.27 0.00 0.00 179.45 177.82 3m8r h ALA 341 N 1.37 1.31 -0.46 5.00 0.00 -0.90 -1.95 119.26 123.63 3m8r h ALA 341 Ca 0.18 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.12 3m8r h ALA 341 Cb 0.27 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3m8r h ALA 341 CO -0.00 0.12 0.32 -0.07 0.00 0.00 0.00 179.25 179.62 3m8r h LEU 342 N 0.00 0.08 -1.78 0.00 3.38 -0.89 -1.95 115.31 114.15 3m8r h LEU 342 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3m8r h LEU 342 Cb 0.28 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3m8r h LEU 342 CO 0.01 0.05 -0.08 0.03 0.09 0.00 0.00 178.44 178.54 3m8r h ARG 343 N 0.09 0.00 -0.00 1.13 -0.00 -1.51 -2.88 114.38 111.22 3m8r h ARG 343 Ca 0.22 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.70 3m8r h ARG 343 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.71 3m8r h ARG 343 CO -0.02 0.08 -0.19 -0.25 0.00 0.00 0.00 179.97 179.59 3m8r n ASP 344 N -3.32 0.45 -4.86 7.04 8.00 -0.73 -4.85 116.55 118.28 3m8r n ASP 344 Ca -0.01 -0.35 -0.36 0.00 0.71 0.00 0.00 54.79 54.79 3m8r n ASP 344 Cb 0.27 -0.06 -0.06 0.00 -0.02 0.00 0.00 41.12 41.25 3m8r n ASP 344 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3m8r s LEU 345 N -2.68 4.39 -0.01 0.64 1.43 -1.09 -4.98 118.68 116.39 3m8r s LEU 345 Ca 0.22 0.79 0.21 0.00 -1.03 0.00 0.00 54.13 54.32 3m8r s LEU 345 Cb 0.19 -2.76 -0.26 0.00 0.03 0.00 0.00 46.19 43.39 3m8r s LEU 345 CO 0.54 0.24 0.77 0.29 0.23 0.00 0.00 176.35 178.42 3m8r n LYS 346 N 1.27 0.21 -3.64 1.70 4.76 -1.26 -4.92 118.16 116.28 3m8r n LYS 346 Ca -0.11 -0.06 -0.07 0.00 -2.87 0.00 0.00 58.31 55.20 3m8r n LYS 346 Cb 0.53 -1.50 -0.07 0.00 -1.84 0.00 0.00 35.03 32.14 3m8r n LYS 346 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 3m8r s GLU 347 N -3.15 0.50 -0.62 1.97 2.12 -1.26 -4.39 118.70 113.87 3m8r s GLU 347 Ca 0.03 0.68 -0.22 0.00 0.36 0.00 0.00 54.97 55.82 3m8r s GLU 347 Cb 0.15 0.20 0.06 0.00 0.26 0.00 0.00 34.13 34.81 3m8r s GLU 347 CO 0.88 -0.07 0.92 0.00 -0.54 0.00 0.00 175.26 176.45 3m8r s ALA 348 N 0.64 3.16 -0.28 6.30 0.00 -0.34 -4.92 121.76 126.33 3m8r s ALA 348 Ca -0.01 -1.73 -0.00 0.00 0.00 0.00 0.00 51.96 50.22 3m8r s ALA 348 Cb -0.05 -3.78 0.05 0.00 0.00 0.00 0.00 23.12 19.34 3m8r s ALA 348 CO -0.09 -2.62 -0.05 0.50 0.00 0.00 0.00 175.76 173.50 3m8r s ARG 349 N 3.87 2.47 0.00 0.00 3.52 -1.26 -0.46 118.95 127.09 3m8r s ARG 349 Ca 0.23 -1.22 0.00 0.00 -0.13 0.00 0.00 55.73 54.61 3m8r s ARG 349 Cb -0.16 -3.04 0.00 0.00 -1.56 0.00 0.00 34.95 30.18 3m8r s ARG 349 CO 0.12 -0.55 0.00 0.41 -0.81 0.00 0.00 175.30 174.47 3m8r n GLY 350 N 4.58 -0.44 3.73 8.12 0.00 0.09 -0.29 105.19 120.97 3m8r n GLY 350 Ca -0.14 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 3m8r n GLY 350 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3m8r n LEU 351 N 0.00 4.11 -3.12 0.99 4.77 -1.26 -1.99 117.00 120.51 3m8r n LEU 351 Ca 0.00 1.12 -0.23 0.00 -0.03 0.00 0.00 56.01 56.88 3m8r n LEU 351 Cb 0.00 -1.57 0.03 0.00 -2.33 0.00 0.00 43.42 39.55 3m8r n LEU 351 CO 0.00 0.08 -0.00 0.18 -1.33 0.00 0.00 177.39 176.32 3m8r n LEU 352 N 2.61 -2.42 -0.30 2.23 4.77 -1.26 -4.88 117.00 117.75 3m8r n LEU 352 Ca 0.11 -0.32 0.11 0.00 -0.03 0.00 0.00 56.01 55.88 3m8r n LEU 352 Cb 0.35 -2.77 0.27 0.00 -2.33 0.00 0.00 43.42 38.94 3m8r n LEU 352 CO 0.64 0.22 1.05 0.00 -1.33 0.00 0.00 177.39 177.97 3m8r h ALA 353 N 1.00 1.34 -0.72 -1.18 0.00 -1.69 -1.61 119.26 116.40 3m8r h ALA 353 Ca -0.51 0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.57 3m8r h ALA 353 Cb 1.35 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.20 3m8r h ALA 353 CO 0.56 -0.27 0.45 -0.22 0.00 0.00 0.00 179.25 179.77 3m8r h LYS 354 N 0.45 0.85 -0.38 0.00 3.64 -1.88 -1.32 116.57 117.94 3m8r h LYS 354 Ca 0.52 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.88 3m8r h LYS 354 Cb 0.90 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.50 3m8r h LYS 354 CO -0.48 0.56 0.18 -0.44 -2.27 0.00 0.00 179.45 177.01 3m8r h ASP 355 N 0.88 0.25 -0.86 4.20 3.32 -1.68 0.81 116.42 123.34 3m8r h ASP 355 Ca 0.29 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.34 3m8r h ASP 355 Cb 0.02 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 3m8r h ASP 355 CO -0.11 0.19 0.47 0.25 -1.72 0.00 0.00 179.24 178.32 3m8r h LEU 356 N 0.37 1.08 -0.85 1.55 5.85 -1.38 -2.19 115.31 119.73 3m8r h LEU 356 Ca 0.16 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 3m8r h LEU 356 Cb 0.08 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 3m8r h LEU 356 CO -0.12 0.87 0.16 -1.28 -0.34 0.00 0.00 178.44 177.73 3m8r h SER 357 N 1.21 0.95 -0.64 1.25 0.87 -0.20 -0.55 113.55 116.44 3m8r h SER 357 Ca 0.30 -0.19 -0.06 0.00 -1.23 0.00 0.00 61.79 60.62 3m8r h SER 357 Cb 0.03 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.71 3m8r h SER 357 CO -0.05 0.92 0.19 0.58 -0.53 0.00 0.00 176.83 177.94 3m8r h VAL 358 N 0.97 1.25 -0.30 2.23 2.07 -0.55 -0.34 116.25 121.59 3m8r h VAL 358 Ca 0.21 -0.88 -0.10 0.00 0.82 0.00 0.00 66.70 66.75 3m8r h VAL 358 Cb 0.33 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3m8r h VAL 358 CO -0.00 0.34 -0.21 0.25 0.02 0.00 0.00 177.57 177.96 3m8r h LEU 359 N 0.94 0.56 -0.28 2.57 6.46 -0.93 -1.31 115.31 123.32 3m8r h LEU 359 Ca 0.21 -0.18 -0.04 0.00 -0.12 0.00 0.00 57.88 57.74 3m8r h LEU 359 Cb 0.32 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.08 3m8r h LEU 359 CO -0.00 0.78 0.00 0.00 -0.62 0.00 0.00 178.44 178.60 3m8r h ALA 360 N 1.27 0.38 -0.51 1.25 0.00 -0.66 -2.50 119.26 118.49 3m8r h ALA 360 Ca 0.08 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3m8r h ALA 360 Cb 0.65 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3m8r h ALA 360 CO 0.05 0.12 0.33 -0.07 0.00 0.00 0.00 179.25 179.67 3m8r h LEU 361 N 0.28 0.59 -1.30 0.00 3.38 -0.84 -0.07 115.31 117.34 3m8r h LEU 361 Ca 0.08 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3m8r h LEU 361 Cb 0.42 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3m8r h LEU 361 CO 0.01 0.43 0.26 -0.09 0.09 0.00 0.00 178.44 179.15 3m8r h ARG 362 N 0.69 0.74 -0.24 1.13 2.43 -0.96 -1.85 114.38 116.34 3m8r h ARG 362 Ca 0.19 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3m8r h ARG 362 Cb -0.07 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.33 3m8r h ARG 362 CO -0.04 0.58 0.00 0.39 -1.51 0.00 0.00 179.97 179.39 3m8r n GLU 363 N -4.38 1.64 -1.35 0.20 -0.58 -0.20 -4.90 120.64 111.07 3m8r n GLU 363 Ca 0.05 -0.98 -0.02 0.00 -0.42 0.00 0.00 57.16 55.79 3m8r n GLU 363 Cb 0.12 -1.27 -0.00 0.00 -0.57 0.00 0.00 31.44 29.71 3m8r n GLU 363 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3m8r n GLY 364 N 0.99 0.44 3.56 0.62 0.00 -0.69 -5.05 105.19 105.06 3m8r n GLY 364 Ca 0.12 -0.96 -0.34 0.00 0.00 0.00 0.00 46.02 44.84 3m8r n GLY 364 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m8r s LEU 365 N -0.37 3.20 -1.03 0.99 1.43 -0.27 -4.99 118.68 117.64 3m8r s LEU 365 Ca 0.00 -0.05 -0.16 0.00 -1.03 0.00 0.00 54.13 52.88 3m8r s LEU 365 Cb 0.00 -1.72 0.15 0.00 0.03 0.00 0.00 46.19 44.65 3m8r s LEU 365 CO 0.00 0.30 1.22 -0.83 0.23 0.00 0.00 176.35 177.27 3m8r s GLY 366 N -0.44 2.18 -0.54 -3.19 0.00 -1.26 -2.96 107.32 101.10 3m8r s GLY 366 Ca 0.07 -3.04 0.04 0.00 0.00 0.00 0.00 44.72 41.79 3m8r s GLY 366 CO 0.02 1.96 0.28 -2.27 0.00 0.00 0.00 173.10 173.10 3m8r s LEU 367 N 2.04 4.37 0.42 0.66 2.96 -1.26 -4.91 118.68 122.97 3m8r s LEU 367 Ca 0.35 -3.08 -0.24 0.00 -0.22 0.00 0.00 54.13 50.94 3m8r s LEU 367 Cb -0.04 -1.65 -0.08 0.00 0.50 0.00 0.00 46.19 44.92 3m8r s LEU 367 CO -0.06 -0.22 1.16 -2.16 -1.32 0.00 0.00 176.35 173.75 3m8r s PRO 368 N -0.38 3.94 0.33 0.98 0.05 -1.26 -4.49 135.00 134.16 3m8r s PRO 368 Ca 0.18 1.79 -0.27 0.00 0.05 0.00 0.00 61.00 62.75 3m8r s PRO 368 Cb -0.24 -2.55 -0.09 0.00 0.05 0.00 0.00 34.50 31.66 3m8r s PRO 368 CO -0.01 -0.40 1.05 -1.25 0.05 0.00 0.00 177.00 176.43 3m8r s PRO 369 N -2.48 4.47 0.00 0.56 0.04 -1.26 -1.20 135.00 135.13 3m8r s PRO 369 Ca 0.60 1.62 0.00 0.00 0.04 0.00 0.00 61.00 63.26 3m8r s PRO 369 Cb -0.29 -2.91 0.00 0.00 0.04 0.00 0.00 34.50 31.34 3m8r s PRO 369 CO 0.36 0.11 0.00 0.41 0.04 0.00 0.00 177.00 177.92 3m8r n GLY 370 N 0.84 3.86 3.61 0.56 0.00 0.39 -4.65 105.19 109.79 3m8r n GLY 370 Ca 0.01 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.50 3m8r n GLY 370 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3m8r n ASP 371 N 0.00 1.40 -3.56 1.61 8.00 -1.26 -4.78 116.55 117.96 3m8r n ASP 371 Ca 0.00 1.11 -0.16 0.00 0.71 0.00 0.00 54.79 56.45 3m8r n ASP 371 Cb 0.00 -1.34 -0.13 0.00 -0.02 0.00 0.00 41.12 39.63 3m8r n ASP 371 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3m8r s ASP 372 N -0.61 0.87 0.62 -2.24 -1.08 -1.26 -0.74 116.67 112.23 3m8r s ASP 372 Ca 0.60 0.15 0.31 0.00 -0.52 0.00 0.00 52.55 53.10 3m8r s ASP 372 Cb -0.62 0.54 1.75 0.00 -1.46 0.00 0.00 42.92 43.13 3m8r s ASP 372 CO 0.59 -0.29 2.09 -0.65 0.52 0.00 0.00 175.17 177.43 3m8r h PRO 373 N 8.30 0.00 -0.85 4.34 0.11 -1.90 -0.29 132.00 141.71 3m8r h PRO 373 Ca -0.16 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.92 3m8r h PRO 373 Cb 1.14 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 3m8r h PRO 373 CO 0.22 0.00 0.41 0.52 -0.21 0.00 0.00 178.00 178.93 3m8r h MET 374 N 0.00 1.23 -0.38 1.05 2.86 -1.96 -1.04 114.93 116.70 3m8r h MET 374 Ca 0.07 -0.19 -0.11 0.00 -2.06 0.00 0.00 59.70 57.41 3m8r h MET 374 Cb 0.51 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 3m8r h MET 374 CO -0.00 0.95 -0.20 -0.07 1.06 0.00 0.00 176.91 178.64 3m8r h LEU 375 N 1.22 0.74 -0.31 1.22 3.38 -1.44 -0.73 115.31 119.38 3m8r h LEU 375 Ca 0.29 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3m8r h LEU 375 Cb 0.13 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3m8r h LEU 375 CO -0.04 0.93 0.03 -0.07 0.09 0.00 0.00 178.44 179.38 3m8r h LEU 376 N 0.64 0.52 -0.81 1.67 3.38 -1.40 -2.33 115.31 116.97 3m8r h LEU 376 Ca 0.09 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.68 3m8r h LEU 376 Cb 0.69 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3m8r h LEU 376 CO 0.05 0.67 -0.14 0.00 0.09 0.00 0.00 178.44 179.11 3m8r h ALA 377 N 0.86 0.99 -0.35 1.53 0.00 -1.07 -2.26 119.26 118.96 3m8r h ALA 377 Ca 0.09 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 3m8r h ALA 377 Cb 0.39 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3m8r h ALA 377 CO 0.01 0.60 -0.25 -0.92 0.00 0.00 0.00 179.25 178.69 3m8r h TYR 378 N 0.66 0.80 -0.43 0.00 3.20 -1.04 -1.12 116.97 119.04 3m8r h TYR 378 Ca 0.11 -0.19 -0.12 0.00 3.14 0.00 0.00 58.73 61.67 3m8r h TYR 378 Cb 0.62 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 3m8r h TYR 378 CO 0.03 0.89 -0.20 -0.07 -1.64 0.00 0.00 178.16 177.17 3m8r h LEU 379 N 0.61 0.92 -1.30 2.82 3.38 -1.27 -2.03 115.31 118.44 3m8r h LEU 379 Ca 0.08 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 3m8r h LEU 379 Cb 0.75 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3m8r h LEU 379 CO 0.06 1.11 0.21 -0.07 0.09 0.00 0.00 178.44 179.84 3m8r h LEU 380 N 0.72 0.62 -6.01 1.67 3.38 -1.08 -3.42 115.31 111.20 3m8r h LEU 380 Ca 0.10 -0.06 0.18 0.00 0.09 0.00 0.00 57.88 58.18 3m8r h LEU 380 Cb 0.76 -0.16 -0.21 0.00 0.09 0.00 0.00 40.66 41.14 3m8r h LEU 380 CO 0.06 0.55 -0.03 -0.62 0.09 0.00 0.00 178.44 178.50 3m8r s ASP 381 N -6.61 -0.83 0.00 -0.43 -1.08 -0.45 -4.98 116.67 102.28 3m8r s ASP 381 Ca -0.09 0.54 0.17 0.00 -0.52 0.00 0.00 52.55 52.65 3m8r s ASP 381 Cb 0.16 1.71 1.00 0.00 -1.46 0.00 0.00 42.92 44.33 3m8r s ASP 381 CO 0.77 -0.16 1.41 -0.81 0.52 0.00 0.00 175.17 176.90 3m8r n PRO 382 N 5.45 0.58 0.00 4.34 -0.04 -0.78 -0.97 135.00 143.58 3m8r n PRO 382 Ca -0.05 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.54 3m8r n PRO 382 Cb 0.53 -1.45 0.56 0.00 -0.04 0.00 0.00 33.50 33.10 3m8r n PRO 382 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3m8r n SER 383 N -0.95 0.00 -4.55 3.54 3.41 -1.26 -4.44 113.62 109.36 3m8r n SER 383 Ca 0.13 0.40 -0.41 0.00 -0.26 0.00 0.00 58.87 58.73 3m8r n SER 383 Cb 0.06 -0.46 -0.03 0.00 -0.26 0.00 0.00 64.21 63.51 3m8r n SER 383 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3m8r s ASN 384 N -2.93 6.47 -0.00 4.04 0.01 -0.14 -4.73 114.94 117.66 3m8r s ASN 384 Ca 0.14 -1.39 0.04 0.00 -0.71 0.00 0.00 52.86 50.94 3m8r s ASN 384 Cb 0.17 -2.56 -0.05 0.00 0.41 0.00 0.00 41.25 39.22 3m8r s ASN 384 CO 0.45 -1.51 0.11 0.35 -1.51 0.00 0.00 177.10 174.99 3m8r n THR 385 N 6.76 0.00 -4.33 1.60 -2.24 -1.26 -4.23 114.28 110.57 3m8r n THR 385 Ca 0.30 -0.21 -0.22 0.00 -2.27 0.00 0.00 64.05 61.64 3m8r n THR 385 Cb 0.51 0.63 -0.13 0.00 -2.10 0.00 0.00 70.33 69.24 3m8r n THR 385 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3m8r s THR 386 N -1.93 1.45 0.36 4.28 -4.23 -1.26 -4.82 115.64 109.49 3m8r s THR 386 Ca -0.00 -1.33 0.25 0.00 -1.18 0.00 0.00 61.69 59.43 3m8r s THR 386 Cb 0.03 -1.32 0.27 0.00 1.34 0.00 0.00 72.50 72.81 3m8r s THR 386 CO 0.16 -0.04 2.01 1.55 -0.54 0.00 0.00 174.62 177.75 3m8r h PRO 387 N 4.42 0.00 0.10 3.99 0.13 -1.98 -1.47 132.00 137.18 3m8r h PRO 387 Ca -0.43 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3m8r h PRO 387 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3m8r h PRO 387 CO 0.41 0.16 -0.05 0.93 -0.23 0.00 0.00 178.00 179.22 3m8r h GLU 388 N 0.00 -0.13 -0.09 0.86 3.07 -1.95 -1.69 114.58 114.65 3m8r h GLU 388 Ca -0.00 0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 58.80 3m8r h GLU 388 Cb 0.43 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 3m8r h GLU 388 CO 0.02 -0.07 -0.23 0.78 -1.40 0.00 0.00 179.01 178.12 3m8r h GLY 389 N -0.16 0.34 0.76 -3.84 0.00 -1.91 -2.74 103.07 95.53 3m8r h GLY 389 Ca -0.01 -0.42 0.05 0.00 0.00 0.00 0.00 47.33 46.94 3m8r h GLY 389 CO 0.02 0.38 0.46 -2.08 0.00 0.00 0.00 176.54 175.32 3m8r h VAL 390 N -0.16 1.04 0.06 4.60 2.07 -1.32 -0.25 116.25 122.30 3m8r h VAL 390 Ca -0.00 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 3m8r h VAL 390 Cb 0.83 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 3m8r h VAL 390 CO 0.05 0.16 -0.03 0.00 0.02 0.00 0.00 177.57 177.77 3m8r h ALA 391 N 1.36 -0.09 -0.90 1.67 0.00 -1.34 -0.73 119.26 119.23 3m8r h ALA 391 Ca 0.32 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.28 3m8r h ALA 391 Cb 0.12 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 3m8r h ALA 391 CO -0.15 -0.53 0.58 -0.09 0.00 0.00 0.00 179.25 179.06 3m8r h ARG 392 N -0.12 0.94 0.07 0.00 9.65 -1.08 0.22 114.38 124.07 3m8r h ARG 392 Ca -0.01 -0.06 -0.25 0.00 -1.10 0.00 0.00 59.98 58.57 3m8r h ARG 392 Cb 0.10 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.45 3m8r h ARG 392 CO 0.01 0.62 -1.16 -0.09 2.80 0.00 0.00 179.97 182.16 3m8r h ARG 393 N 0.97 0.15 0.00 0.20 2.43 -0.66 -3.38 114.38 114.10 3m8r h ARG 393 Ca 0.40 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3m8r h ARG 393 Cb 0.27 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3m8r h ARG 393 CO -0.16 1.12 -0.00 0.66 -1.51 0.00 0.00 179.97 180.08 3m8r n TYR 394 N -3.45 0.00 0.00 2.20 4.01 -0.32 -4.98 117.16 114.62 3m8r n TYR 394 Ca -0.05 -0.77 0.00 0.00 -0.16 0.00 0.00 57.90 56.91 3m8r n TYR 394 Cb 0.99 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 39.92 3m8r n TYR 394 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3m8r n GLY 395 N -1.02 0.98 0.00 2.72 0.00 -0.76 -4.70 105.19 102.42 3m8r n GLY 395 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3m8r n GLY 395 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m8r n GLY 396 N 0.00 1.18 2.90 -0.02 0.00 -0.01 -4.88 105.19 104.37 3m8r n GLY 396 Ca 0.00 -0.63 -0.14 0.00 0.00 0.00 0.00 46.02 45.24 3m8r n GLY 396 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3m8r s GLU 397 N 0.90 0.08 -0.58 1.61 2.12 -1.26 -3.33 118.70 118.23 3m8r s GLU 397 Ca 0.00 0.41 -0.26 0.00 0.36 0.00 0.00 54.97 55.47 3m8r s GLU 397 Cb 0.00 -0.20 0.04 0.00 0.26 0.00 0.00 34.13 34.22 3m8r s GLU 397 CO 0.00 -0.20 1.09 -0.46 -0.54 0.00 0.00 175.26 175.16 3m8r s TRP 398 N 1.42 2.66 0.00 5.30 -0.11 -1.26 -4.93 118.94 122.01 3m8r s TRP 398 Ca -0.07 0.20 0.00 0.00 1.22 0.00 0.00 56.10 57.45 3m8r s TRP 398 Cb -0.12 -4.34 0.00 0.00 -1.50 0.00 0.00 33.47 27.51 3m8r s TRP 398 CO -0.06 -1.52 0.00 0.25 -4.62 0.00 0.00 176.95 171.00 3m8r n THR 399 N 6.45 0.00 -1.91 5.86 -2.24 -1.26 -4.95 114.28 116.23 3m8r n THR 399 Ca 0.05 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.82 3m8r n THR 399 Cb 0.48 -0.70 0.13 0.00 -2.10 0.00 0.00 70.33 68.14 3m8r n THR 399 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3m8r n GLU 400 N 0.00 1.75 -4.60 -0.78 -0.58 -1.26 -4.96 120.64 110.21 3m8r n GLU 400 Ca 0.00 -3.28 -0.25 0.00 -0.42 0.00 0.00 57.16 53.21 3m8r n GLU 400 Cb 0.00 -1.48 -0.17 0.00 -0.57 0.00 0.00 31.44 29.22 3m8r n GLU 400 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3m8r s GLU 401 N -2.81 1.74 0.09 3.49 -6.30 -1.26 -4.99 118.70 108.67 3m8r s GLU 401 Ca 0.39 -0.43 -0.23 0.00 -2.50 0.00 0.00 54.97 52.21 3m8r s GLU 401 Cb 0.38 -1.43 -0.14 0.00 0.00 0.00 0.00 34.13 32.94 3m8r s GLU 401 CO -0.06 0.03 1.73 0.00 0.02 0.00 0.00 175.26 176.97 3m8r h ALA 402 N 6.97 -0.04 -0.85 6.30 0.00 -1.88 -1.43 119.26 128.32 3m8r h ALA 402 Ca -0.30 -0.00 0.13 0.00 0.00 0.00 0.00 54.91 54.73 3m8r h ALA 402 Cb 1.19 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.94 3m8r h ALA 402 CO 0.47 -0.53 0.46 0.78 0.00 0.00 0.00 179.25 180.44 3m8r h GLY 403 N -0.06 1.36 1.79 0.00 0.00 -1.89 0.36 103.07 104.64 3m8r h GLY 403 Ca 0.01 -0.29 -0.16 0.00 0.00 0.00 0.00 47.33 46.89 3m8r h GLY 403 CO -0.02 0.04 -0.68 0.83 0.00 0.00 0.00 176.54 176.71 3m8r h GLU 404 N 0.71 0.20 0.00 4.80 5.08 -1.90 -1.87 114.58 121.60 3m8r h GLU 404 Ca 0.44 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.56 3m8r h GLU 404 Cb 0.54 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 3m8r h GLU 404 CO -0.31 0.81 -0.40 0.00 -1.00 0.00 0.00 179.01 178.11 3m8r h ARG 405 N 0.14 0.00 -0.06 2.33 3.08 -0.25 -0.89 114.38 118.73 3m8r h ARG 405 Ca -0.02 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 3m8r h ARG 405 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 3m8r h ARG 405 CO 0.10 0.40 -0.14 0.00 -1.07 0.00 0.00 179.97 179.26 3m8r h ALA 406 N 1.60 0.10 -0.79 0.04 0.00 -0.54 -1.40 119.26 118.27 3m8r h ALA 406 Ca -0.00 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 3m8r h ALA 406 Cb 0.72 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 3m8r h ALA 406 CO 0.05 0.00 0.30 0.00 0.00 0.00 0.00 179.25 179.61 3m8r h ALA 407 N 0.46 1.04 -0.72 0.00 0.00 -1.30 -2.10 119.26 116.64 3m8r h ALA 407 Ca -0.00 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 3m8r h ALA 407 Cb 0.75 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3m8r h ALA 407 CO 0.03 0.67 0.20 1.25 0.00 0.00 0.00 179.25 181.40 3m8r h LEU 408 N 1.16 1.07 -0.92 0.00 5.85 -1.18 -1.99 115.31 119.29 3m8r h LEU 408 Ca 0.26 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.77 3m8r h LEU 408 Cb 0.23 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 3m8r h LEU 408 CO -0.02 1.01 0.61 0.28 -0.34 0.00 0.00 178.44 179.98 3m8r h SER 409 N 1.07 1.06 -0.29 1.25 0.02 -0.82 -0.64 113.55 115.21 3m8r h SER 409 Ca 0.23 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.11 3m8r h SER 409 Cb 0.34 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 3m8r h SER 409 CO -0.00 0.77 -0.00 -0.08 -1.14 0.00 0.00 176.83 176.37 3m8r h GLU 410 N 1.25 0.51 -0.21 3.45 4.81 -0.94 -1.99 114.58 121.46 3m8r h GLU 410 Ca 0.34 -0.16 -0.15 0.00 -0.13 0.00 0.00 59.36 59.26 3m8r h GLU 410 Cb -0.14 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.19 3m8r h GLU 410 CO -0.07 0.66 -0.46 0.00 -0.73 0.00 0.00 179.01 178.41 3m8r h ARG 411 N 0.30 0.68 -0.78 1.92 3.08 -1.18 -2.53 114.38 115.86 3m8r h ARG 411 Ca 0.08 -0.45 -0.03 0.00 0.07 0.00 0.00 59.98 59.65 3m8r h ARG 411 Cb 0.43 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.51 3m8r h ARG 411 CO 0.01 1.07 0.38 -0.07 -1.07 0.00 0.00 179.97 180.30 3m8r h LEU 412 N 0.38 1.01 -0.28 3.04 3.38 -1.15 -1.84 115.31 119.85 3m8r h LEU 412 Ca 0.00 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 3m8r h LEU 412 Cb 1.07 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 3m8r h LEU 412 CO 0.10 0.86 0.16 0.15 0.09 0.00 0.00 178.44 179.80 3m8r h PHE 413 N 1.10 0.38 -0.20 1.13 3.57 -1.29 -0.05 116.94 121.58 3m8r h PHE 413 Ca 0.27 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.81 3m8r h PHE 413 Cb 0.11 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 38.67 3m8r h PHE 413 CO 0.01 0.31 -0.16 0.00 -2.23 0.00 0.00 178.31 176.24 3m8r h ALA 414 N 1.04 -0.02 -0.23 2.41 0.00 -1.18 0.05 119.26 121.34 3m8r h ALA 414 Ca 0.10 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3m8r h ALA 414 Cb 0.05 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3m8r h ALA 414 CO -0.02 -0.58 -0.06 -0.97 0.00 0.00 0.00 179.25 177.62 3m8r h ASN 415 N -0.16 0.44 0.31 0.00 -1.24 -1.09 -2.44 115.58 111.41 3m8r h ASN 415 Ca 0.12 -0.37 -0.09 0.00 0.71 0.00 0.00 56.30 56.67 3m8r h ASN 415 Cb 0.34 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.25 3m8r h ASN 415 CO -0.29 0.71 -0.38 -0.07 -1.29 0.00 0.00 177.43 176.11 3m8r h LEU 416 N 0.17 0.10 -1.08 0.34 3.38 -0.92 -1.61 115.31 115.69 3m8r h LEU 416 Ca 0.06 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 3m8r h LEU 416 Cb 0.51 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3m8r h LEU 416 CO 0.02 0.47 -0.20 -0.25 0.09 0.00 0.00 178.44 178.57 3m8r h TRP 417 N 0.08 0.45 -0.58 1.13 2.91 -0.86 -2.50 115.95 116.59 3m8r h TRP 417 Ca 0.01 -0.08 -0.07 0.00 1.13 0.00 0.00 58.89 59.88 3m8r h TRP 417 Cb 0.71 -0.12 -0.02 0.00 -0.51 0.00 0.00 29.16 29.22 3m8r h TRP 417 CO 0.00 0.59 0.09 0.78 -1.03 0.00 0.00 178.44 178.87 3m8r h GLY 418 N 0.96 1.04 2.00 2.65 0.00 -0.81 -2.95 103.07 105.96 3m8r h GLY 418 Ca 0.06 -0.70 -0.05 0.00 0.00 0.00 0.00 47.33 46.64 3m8r h GLY 418 CO 0.04 0.65 -0.25 3.21 0.00 0.00 0.00 176.54 180.19 3m8r h ARG 419 N 0.86 0.00 -0.02 4.80 2.47 -1.03 -2.87 114.38 118.58 3m8r h ARG 419 Ca 0.18 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.90 3m8r h ARG 419 Cb 0.43 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.75 3m8r h ARG 419 CO 0.01 0.25 0.00 1.28 0.56 0.00 0.00 179.97 182.07 3m8r n LEU 420 N -3.94 1.90 -4.69 3.04 4.77 -0.97 -4.77 117.00 112.34 3m8r n LEU 420 Ca -0.02 -0.64 -0.42 0.00 -0.03 0.00 0.00 56.01 54.90 3m8r n LEU 420 Cb 0.33 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 3m8r n LEU 420 CO 0.35 0.32 1.08 -0.70 -1.33 0.00 0.00 177.39 177.11 3m8r s GLU 421 N -1.99 4.30 0.00 3.23 2.12 -1.09 -1.99 118.70 123.28 3m8r s GLU 421 Ca 0.35 1.87 0.00 0.00 0.36 0.00 0.00 54.97 57.55 3m8r s GLU 421 Cb 0.21 -3.59 0.00 0.00 0.26 0.00 0.00 34.13 31.01 3m8r s GLU 421 CO 0.32 -0.55 0.00 0.41 -0.54 0.00 0.00 175.26 174.90 3m8r n GLY 422 N 3.58 3.18 3.26 -1.50 0.00 -1.26 -4.96 105.19 107.49 3m8r n GLY 422 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 3m8r n GLY 422 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3m8r n GLU 423 N -0.86 3.10 -0.03 1.61 -0.58 -0.84 -4.79 120.64 118.25 3m8r n GLU 423 Ca 0.00 -3.08 -0.05 0.00 -0.42 0.00 0.00 57.16 53.62 3m8r n GLU 423 Cb 0.00 -3.39 0.17 0.00 -0.57 0.00 0.00 31.44 27.65 3m8r n GLU 423 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 3m8r h GLU 424 N 6.96 0.61 -0.04 3.49 4.39 -1.93 -0.57 114.58 127.49 3m8r h GLU 424 Ca 0.48 -0.22 -0.17 0.00 0.34 0.00 0.00 59.36 59.79 3m8r h GLU 424 Cb 0.78 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.38 3m8r h GLU 424 CO 1.60 0.77 -0.74 0.00 -1.16 0.00 0.00 179.01 179.49 3m8r h ARG 425 N 0.55 0.26 -0.09 2.33 3.08 -1.90 -0.74 114.38 117.87 3m8r h ARG 425 Ca 0.09 -0.22 -0.19 0.00 0.07 0.00 0.00 59.98 59.72 3m8r h ARG 425 Cb 0.64 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.73 3m8r h ARG 425 CO 0.04 0.88 -0.73 -0.07 -1.07 0.00 0.00 179.97 179.03 3m8r h LEU 426 N 0.17 0.56 -1.19 3.04 3.38 -1.80 -2.21 115.31 117.27 3m8r h LEU 426 Ca -0.03 -0.37 -0.08 0.00 0.09 0.00 0.00 57.88 57.50 3m8r h LEU 426 Cb 1.31 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 3m8r h LEU 426 CO 0.12 1.11 -0.26 -0.07 0.09 0.00 0.00 178.44 179.43 3m8r h LEU 427 N 0.32 0.23 -0.23 1.67 3.38 -0.96 -1.58 115.31 118.15 3m8r h LEU 427 Ca -0.03 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 3m8r h LEU 427 Cb 1.32 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 3m8r h LEU 427 CO 0.13 0.50 -0.10 -0.25 0.09 0.00 0.00 178.44 178.81 3m8r h TRP 428 N 0.21 0.54 -0.73 1.13 7.01 -0.98 -1.65 115.95 121.48 3m8r h TRP 428 Ca 0.03 -0.13 0.00 0.00 2.11 0.00 0.00 58.89 60.91 3m8r h TRP 428 Cb 0.58 -0.12 -0.04 0.00 -2.10 0.00 0.00 29.16 27.47 3m8r h TRP 428 CO 0.01 0.74 0.46 -0.07 -2.79 0.00 0.00 178.44 176.79 3m8r h LEU 429 N 0.18 0.85 -0.20 0.65 3.38 -1.15 0.11 115.31 119.12 3m8r h LEU 429 Ca 0.05 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3m8r h LEU 429 Cb 0.59 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3m8r h LEU 429 CO 0.03 0.63 -0.10 0.22 0.09 0.00 0.00 178.44 179.32 3m8r h TYR 430 N 0.99 0.48 0.12 1.13 3.20 -1.12 0.46 116.97 122.22 3m8r h TYR 430 Ca 0.26 -0.12 -0.27 0.00 3.14 0.00 0.00 58.73 61.75 3m8r h TYR 430 Cb -0.09 -0.11 0.01 0.00 1.54 0.00 0.00 36.73 38.08 3m8r h TYR 430 CO 0.00 0.71 -1.22 0.00 -1.64 0.00 0.00 178.16 176.01 3m8r h ARG 431 N 0.11 0.29 0.00 1.82 3.08 -1.04 -0.92 114.38 117.72 3m8r h ARG 431 Ca 0.04 -0.47 0.00 0.00 0.07 0.00 0.00 59.98 59.62 3m8r h ARG 431 Cb 0.58 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.80 3m8r h ARG 431 CO 0.03 1.21 -1.53 0.39 -1.07 0.00 0.00 179.97 179.00 3m8r n GLU 432 N -3.56 0.37 0.00 0.04 -0.58 0.35 -4.47 120.64 112.79 3m8r n GLU 432 Ca -0.08 -0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.55 3m8r n GLU 432 Cb 1.01 -1.51 0.00 0.00 -0.57 0.00 0.00 31.44 30.37 3m8r n GLU 432 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3m8r n VAL 433 N -1.90 0.00 0.09 2.62 0.31 -0.49 -4.84 118.33 114.11 3m8r n VAL 433 Ca -0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 3m8r n VAL 433 Cb 0.46 -0.54 -0.05 0.00 -0.91 0.00 0.00 33.84 32.79 3m8r n VAL 433 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3m8r h GLU 434 N 0.00 -0.30 -0.05 5.55 4.39 -1.04 0.77 114.58 123.90 3m8r h GLU 434 Ca 0.00 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 3m8r h GLU 434 Cb 0.00 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 3m8r h GLU 434 CO 0.00 -0.20 0.02 -0.09 -1.16 0.00 0.00 179.01 177.58 3m8r h ARG 435 N -0.31 0.07 -0.53 2.33 2.43 -1.39 -1.58 114.38 115.39 3m8r h ARG 435 Ca 0.03 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 3m8r h ARG 435 Cb 0.34 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 3m8r h ARG 435 CO -0.11 0.18 0.14 -1.35 -1.51 0.00 0.00 179.97 177.32 3m8r h PRO 436 N -0.05 0.81 -0.70 0.20 0.11 -1.76 -2.92 132.00 127.68 3m8r h PRO 436 Ca 0.02 -0.15 -0.01 0.00 0.11 0.00 0.00 66.00 65.96 3m8r h PRO 436 Cb 0.13 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 3m8r h PRO 436 CO -0.00 0.72 0.38 1.25 -0.21 0.00 0.00 178.00 180.14 3m8r h LEU 437 N 0.78 0.87 -1.43 2.35 5.85 -0.42 -2.25 115.31 121.06 3m8r h LEU 437 Ca 0.18 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.89 3m8r h LEU 437 Cb 0.27 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 3m8r h LEU 437 CO -0.00 0.71 0.45 0.77 -0.34 0.00 0.00 178.44 180.02 3m8r h SER 438 N 0.98 0.61 -0.35 1.25 4.64 -1.10 0.12 113.55 119.70 3m8r h SER 438 Ca 0.25 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.49 3m8r h SER 438 Cb 0.03 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 3m8r h SER 438 CO -0.04 0.40 -0.11 0.00 -0.87 0.00 0.00 176.83 176.21 3m8r h ALA 439 N 1.63 0.49 -0.49 5.18 0.00 -1.49 -1.73 119.26 122.86 3m8r h ALA 439 Ca 0.29 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3m8r h ALA 439 Cb 0.26 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3m8r h ALA 439 CO -0.09 0.36 0.31 0.28 0.00 0.00 0.00 179.25 180.11 3m8r h VAL 440 N 0.49 1.10 -0.73 0.00 2.07 -1.01 -2.69 116.25 115.48 3m8r h VAL 440 Ca 0.09 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.33 3m8r h VAL 440 Cb 0.62 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 3m8r h VAL 440 CO 0.04 0.12 0.22 -0.07 0.02 0.00 0.00 177.57 177.90 3m8r h LEU 441 N 0.64 1.05 -0.91 2.57 3.38 -0.73 -2.00 115.31 119.31 3m8r h LEU 441 Ca 0.18 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.99 3m8r h LEU 441 Cb -0.05 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.37 3m8r h LEU 441 CO -0.05 0.98 0.59 0.00 0.09 0.00 0.00 178.44 180.04 3m8r h ALA 442 N 1.16 1.20 -0.24 1.53 0.00 -1.02 -0.18 119.26 121.72 3m8r h ALA 442 Ca 0.23 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 3m8r h ALA 442 Cb 0.31 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3m8r h ALA 442 CO -0.01 0.43 -0.07 0.45 0.00 0.00 0.00 179.25 180.06 3m8r h HIS 443 N 1.13 0.53 -0.23 0.00 3.86 -1.16 -2.16 115.15 117.13 3m8r h HIS 443 Ca 0.36 -0.12 0.04 0.00 -1.16 0.00 0.00 60.37 59.49 3m8r h HIS 443 Cb 0.02 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 28.33 3m8r h HIS 443 CO -0.02 0.71 0.01 0.52 0.86 0.00 0.00 177.93 180.01 3m8r h MET 444 N 0.20 0.08 -0.98 2.45 2.07 -0.85 -0.56 114.93 117.34 3m8r h MET 444 Ca 0.06 -0.00 0.01 0.00 -2.07 0.00 0.00 59.70 57.70 3m8r h MET 444 Cb 0.55 -0.02 -0.05 0.00 -1.87 0.00 0.00 31.60 30.21 3m8r h MET 444 CO 0.03 0.05 0.65 0.93 1.07 0.00 0.00 176.91 179.64 3m8r h GLU 445 N 0.08 1.29 0.00 1.72 5.08 -1.03 -2.13 114.58 119.59 3m8r h GLU 445 Ca 0.11 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 3m8r h GLU 445 Cb 0.13 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 3m8r h GLU 445 CO -0.17 0.85 -0.26 0.00 -1.00 0.00 0.00 179.01 178.43 3m8r h ALA 446 N 1.36 0.93 0.01 3.43 0.00 -0.84 -3.30 119.26 120.85 3m8r h ALA 446 Ca 0.36 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3m8r h ALA 446 Cb -0.14 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3m8r h ALA 446 CO -0.08 0.32 -0.12 1.15 0.00 0.00 0.00 179.25 180.52 3m8r h THR 447 N 0.00 1.70 -0.65 0.00 2.02 -0.47 -3.48 112.91 112.02 3m8r h THR 447 Ca -0.00 -2.20 0.05 0.00 0.77 0.00 0.00 66.41 65.03 3m8r h THR 447 Cb 0.93 3.17 -0.01 0.00 -1.74 0.00 0.00 68.15 70.50 3m8r h THR 447 CO 0.03 0.58 -0.07 0.61 0.37 0.00 0.00 175.52 177.04 3m8r n GLY 448 N 1.40 -2.02 2.97 2.16 0.00 -0.95 -4.89 105.19 103.86 3m8r n GLY 448 Ca -0.10 -1.39 -0.15 0.00 0.00 0.00 0.00 46.02 44.38 3m8r n GLY 448 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m8r s VAL 449 N -0.70 0.38 0.29 1.61 0.11 -0.15 -4.88 120.40 117.05 3m8r s VAL 449 Ca 0.00 -0.40 -0.28 0.00 -2.93 0.00 0.00 61.98 58.37 3m8r s VAL 449 Cb 0.00 -0.36 -0.09 0.00 -1.53 0.00 0.00 36.38 34.40 3m8r s VAL 449 CO 0.00 -0.02 0.98 -0.60 -3.33 0.00 0.00 175.10 172.12 3m8r s ARG 450 N -0.45 4.68 -0.02 1.54 3.52 -1.25 -0.95 118.95 126.02 3m8r s ARG 450 Ca -0.01 1.49 0.03 0.00 -0.13 0.00 0.00 55.73 57.11 3m8r s ARG 450 Cb -0.04 -3.05 -0.01 0.00 -1.56 0.00 0.00 34.95 30.29 3m8r s ARG 450 CO -0.00 0.34 -0.11 -1.17 -0.81 0.00 0.00 175.30 173.55 3m8r s LEU 451 N -1.62 1.96 -1.10 -0.88 2.96 -1.26 -1.95 118.68 116.79 3m8r s LEU 451 Ca 0.46 -0.21 -0.18 0.00 -0.22 0.00 0.00 54.13 53.97 3m8r s LEU 451 Cb -0.24 -0.61 0.11 0.00 0.50 0.00 0.00 46.19 45.94 3m8r s LEU 451 CO 0.31 0.13 1.41 -0.62 -1.32 0.00 0.00 176.35 176.25 3m8r s ASP 452 N -0.14 6.76 0.09 3.68 -1.08 0.30 -4.85 116.67 121.44 3m8r s ASP 452 Ca 0.02 -2.25 -0.22 0.00 -0.52 0.00 0.00 52.55 49.58 3m8r s ASP 452 Cb -0.06 -2.48 -0.12 0.00 -1.46 0.00 0.00 42.92 38.81 3m8r s ASP 452 CO -0.00 -1.10 1.70 0.58 0.52 0.00 0.00 175.17 176.87 3m8r h VAL 453 N 5.68 1.07 -0.86 1.11 2.07 -1.97 -2.53 116.25 120.81 3m8r h VAL 453 Ca 0.27 -0.20 0.07 0.00 0.82 0.00 0.00 66.70 67.66 3m8r h VAL 453 Cb 0.95 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 31.69 3m8r h VAL 453 CO 1.29 0.07 0.56 0.00 0.02 0.00 0.00 177.57 179.51 3m8r h ALA 454 N 0.97 1.57 -0.59 1.67 0.00 -2.00 -0.44 119.26 120.45 3m8r h ALA 454 Ca 0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3m8r h ALA 454 Cb 0.06 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3m8r h ALA 454 CO -0.01 0.29 0.24 -0.92 0.00 0.00 0.00 179.25 178.85 3m8r h TYR 455 N 0.95 0.90 -0.14 0.00 3.20 -1.90 -2.15 116.97 117.83 3m8r h TYR 455 Ca 0.38 -0.07 -0.16 0.00 3.14 0.00 0.00 58.73 62.02 3m8r h TYR 455 Cb 0.25 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 3m8r h TYR 455 CO -0.00 0.72 -0.60 -0.07 -1.64 0.00 0.00 178.16 176.57 3m8r h LEU 456 N 0.82 0.52 -0.50 2.82 3.38 -0.87 -2.13 115.31 119.35 3m8r h LEU 456 Ca 0.20 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3m8r h LEU 456 Cb 0.20 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3m8r h LEU 456 CO -0.02 0.99 0.26 0.03 0.09 0.00 0.00 178.44 179.80 3m8r h ARG 457 N 0.34 0.70 -0.62 1.13 2.47 -0.89 -1.21 114.38 116.30 3m8r h ARG 457 Ca -0.00 -0.09 -0.08 0.00 -1.26 0.00 0.00 59.98 58.54 3m8r h ARG 457 Cb 1.13 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 29.30 3m8r h ARG 457 CO 0.11 0.56 0.06 0.00 0.56 0.00 0.00 179.97 181.26 3m8r h ALA 458 N 1.10 0.83 -0.70 0.04 0.00 -1.37 -2.84 119.26 116.32 3m8r h ALA 458 Ca 0.17 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3m8r h ALA 458 Cb 0.08 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3m8r h ALA 458 CO -0.03 0.63 0.37 1.25 0.00 0.00 0.00 179.25 181.47 3m8r h LEU 459 N 0.97 0.87 -0.24 0.00 5.85 -1.02 -2.66 115.31 119.07 3m8r h LEU 459 Ca 0.18 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.85 3m8r h LEU 459 Cb 0.49 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3m8r h LEU 459 CO 0.02 0.71 0.09 -1.28 -0.34 0.00 0.00 178.44 177.64 3m8r h SER 460 N 0.97 0.10 -0.04 1.25 0.87 -0.98 -0.95 113.55 114.77 3m8r h SER 460 Ca 0.25 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.79 3m8r h SER 460 Cb 0.05 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 3m8r h SER 460 CO -0.04 0.09 -0.06 -0.07 -0.53 0.00 0.00 176.83 176.23 3m8r h LEU 461 N 0.20 0.22 -0.03 2.23 3.38 -1.40 -0.44 115.31 119.47 3m8r h LEU 461 Ca 0.10 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 3m8r h LEU 461 Cb 0.06 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 40.77 3m8r h LEU 461 CO -0.10 0.32 -0.48 -0.08 0.09 0.00 0.00 178.44 178.19 3m8r h GLU 462 N 0.23 0.38 -0.24 1.13 4.81 -1.29 -3.14 114.58 116.47 3m8r h GLU 462 Ca 0.05 -0.37 -0.06 0.00 -0.13 0.00 0.00 59.36 58.86 3m8r h GLU 462 Cb 0.26 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 3m8r h GLU 462 CO 0.01 1.03 -0.12 0.28 -0.73 0.00 0.00 179.01 179.48 3m8r h VAL 463 N -0.13 1.21 -0.32 0.32 2.07 -0.80 -2.50 116.25 116.09 3m8r h VAL 463 Ca -0.05 -0.91 0.01 0.00 0.82 0.00 0.00 66.70 66.57 3m8r h VAL 463 Cb 1.17 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 3m8r h VAL 463 CO 0.10 0.29 0.20 0.00 0.02 0.00 0.00 177.57 178.18 3m8r h ALA 464 N 1.52 0.40 -0.79 1.67 0.00 -1.15 -0.16 119.26 120.76 3m8r h ALA 464 Ca 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3m8r h ALA 464 Cb 0.43 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3m8r h ALA 464 CO 0.02 -0.16 0.42 0.93 0.00 0.00 0.00 179.25 180.47 3m8r h GLU 465 N 0.40 1.10 -0.31 0.00 5.08 -1.41 -1.50 114.58 117.95 3m8r h GLU 465 Ca 0.12 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 3m8r h GLU 465 Cb -0.02 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 3m8r h GLU 465 CO -0.05 0.83 -0.26 1.49 -1.00 0.00 0.00 179.01 180.02 3m8r h GLU 466 N 1.09 0.62 -0.67 2.33 4.57 -1.19 -2.65 114.58 118.69 3m8r h GLU 466 Ca 0.28 -0.26 -0.04 0.00 -1.18 0.00 0.00 59.36 58.16 3m8r h GLU 466 Cb 0.05 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 3m8r h GLU 466 CO -0.04 0.83 0.27 0.82 -1.18 0.00 0.00 179.01 179.71 3m8r h ILE 467 N 0.54 1.24 -0.84 2.32 2.04 -0.61 -2.20 117.51 120.00 3m8r h ILE 467 Ca 0.07 -0.74 -0.00 0.00 1.00 0.00 0.00 64.86 65.19 3m8r h ILE 467 Cb 0.74 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 3m8r h ILE 467 CO 0.06 0.30 0.51 0.00 0.00 0.00 0.00 178.15 179.02 3m8r h ALA 468 N 1.12 1.32 -0.68 1.87 0.00 -1.06 -0.63 119.26 121.20 3m8r h ALA 468 Ca 0.22 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 3m8r h ALA 468 Cb 0.20 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3m8r h ALA 468 CO -0.02 0.59 0.14 0.00 0.00 0.00 0.00 179.25 179.96 3m8r h ARG 469 N 1.16 1.11 -0.27 0.00 3.08 -1.13 -1.51 114.38 116.81 3m8r h ARG 469 Ca 0.30 -0.28 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 3m8r h ARG 469 Cb -0.06 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 3m8r h ARG 469 CO -0.06 0.99 -0.14 -0.07 -1.07 0.00 0.00 179.97 179.63 3m8r h LEU 470 N 1.04 0.60 -0.42 3.04 3.38 -0.70 -2.49 115.31 119.77 3m8r h LEU 470 Ca 0.21 -0.41 -0.18 0.00 0.09 0.00 0.00 57.88 57.59 3m8r h LEU 470 Cb 0.41 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3m8r h LEU 470 CO 0.01 0.88 -0.64 1.05 0.09 0.00 0.00 178.44 179.83 3m8r h GLU 471 N 0.32 0.56 -0.85 1.13 4.11 -1.12 -1.36 114.58 117.36 3m8r h GLU 471 Ca 0.06 -0.40 0.06 0.00 0.07 0.00 0.00 59.36 59.15 3m8r h GLU 471 Cb 0.66 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.91 3m8r h GLU 471 CO 0.04 1.02 0.53 0.00 0.07 0.00 0.00 179.01 180.67 3m8r h ALA 472 N 0.88 1.16 -0.16 1.06 0.00 -1.27 -0.06 119.26 120.88 3m8r h ALA 472 Ca -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3m8r h ALA 472 Cb 1.20 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3m8r h ALA 472 CO 0.12 0.29 -0.02 0.93 0.00 0.00 0.00 179.25 180.57 3m8r h GLU 473 N 0.98 0.29 -0.45 0.00 4.39 -1.19 -2.49 114.58 116.11 3m8r h GLU 473 Ca 0.37 -0.10 0.05 0.00 0.34 0.00 0.00 59.36 60.01 3m8r h GLU 473 Cb 0.14 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.72 3m8r h GLU 473 CO -0.16 0.55 0.18 0.28 -1.16 0.00 0.00 179.01 178.69 3m8r h VAL 474 N 0.01 0.89 -0.68 3.13 2.07 -0.72 -1.77 116.25 119.17 3m8r h VAL 474 Ca 0.04 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 3m8r h VAL 474 Cb 0.43 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 3m8r h VAL 474 CO 0.01 0.07 0.30 -0.26 0.02 0.00 0.00 177.57 177.71 3m8r h PHE 475 N 0.36 1.01 -0.34 1.57 0.04 -1.02 -0.47 116.94 118.10 3m8r h PHE 475 Ca 0.21 -0.06 -0.02 0.00 2.80 0.00 0.00 57.97 60.90 3m8r h PHE 475 Cb 0.18 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.00 3m8r h PHE 475 CO -0.14 0.77 0.13 -0.09 -0.60 0.00 0.00 178.31 178.39 3m8r h ARG 476 N 0.96 0.47 0.03 1.51 2.43 -0.96 -0.65 114.38 118.17 3m8r h ARG 476 Ca 0.23 -0.05 -0.22 0.00 -0.81 0.00 0.00 59.98 59.12 3m8r h ARG 476 Cb 0.16 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 3m8r h ARG 476 CO -0.02 0.39 -1.04 -0.07 -1.51 0.00 0.00 179.97 177.72 3m8r h LEU 477 N 0.47 0.09 -0.83 3.80 3.38 -0.60 -2.96 115.31 118.66 3m8r h LEU 477 Ca 0.12 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3m8r h LEU 477 Cb 0.10 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3m8r h LEU 477 CO -0.01 1.07 0.00 0.00 0.09 0.00 0.00 178.44 179.58 3m8r h ALA 478 N 0.92 1.00 0.00 1.53 0.00 -0.68 -3.47 119.26 118.56 3m8r h ALA 478 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3m8r h ALA 478 Cb 1.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.59 3m8r h ALA 478 CO 0.14 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.80 3m8r n GLY 479 N 0.49 0.78 3.56 0.00 0.00 -0.33 -4.99 105.19 104.69 3m8r n GLY 479 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 3m8r n GLY 479 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3m8r s HIS 480 N -2.92 -0.24 0.40 1.61 -3.43 -0.74 -4.99 115.29 104.98 3m8r s HIS 480 Ca 0.00 0.20 -0.20 0.00 -0.80 0.00 0.00 55.06 54.25 3m8r s HIS 480 Cb 0.00 0.52 -0.11 0.00 -1.43 0.00 0.00 32.58 31.56 3m8r s HIS 480 CO 0.00 -0.35 0.91 -1.25 -2.00 0.00 0.00 174.74 172.05 3m8r s PRO 481 N -2.50 4.20 0.34 -0.38 0.04 -1.26 -4.60 135.00 130.84 3m8r s PRO 481 Ca 0.06 1.04 -0.14 0.00 0.04 0.00 0.00 61.00 62.00 3m8r s PRO 481 Cb -0.01 -2.26 0.03 0.00 0.04 0.00 0.00 34.50 32.30 3m8r s PRO 481 CO -0.06 0.02 0.69 -0.59 0.04 0.00 0.00 177.00 177.10 3m8r s PHE 482 N -2.11 0.23 -0.66 0.56 -0.71 -1.26 -5.09 117.98 108.93 3m8r s PHE 482 Ca 0.60 -0.75 -0.27 0.00 -1.04 0.00 0.00 56.93 55.47 3m8r s PHE 482 Cb -0.10 0.59 0.01 0.00 -1.21 0.00 0.00 43.02 42.32 3m8r s PHE 482 CO 0.14 -1.36 1.45 1.21 -1.34 0.00 0.00 175.22 175.32 3m8r s ASN 483 N -3.06 5.95 0.57 1.98 3.84 -1.26 -4.84 114.94 118.13 3m8r s ASN 483 Ca 0.18 -0.07 0.34 0.00 0.21 0.00 0.00 52.86 53.52 3m8r s ASN 483 Cb -0.04 -2.55 1.66 0.00 -0.55 0.00 0.00 41.25 39.77 3m8r s ASN 483 CO 0.12 -1.92 2.11 0.25 -2.79 0.00 0.00 177.10 174.86 3m8r h LEU 484 N 13.81 0.00 -0.45 3.21 5.85 -1.99 -1.78 115.31 133.96 3m8r h LEU 484 Ca -0.27 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.45 3m8r h LEU 484 Cb 1.09 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.12 3m8r h LEU 484 CO 1.24 0.05 0.00 0.78 -0.34 0.00 0.00 178.44 180.17 3m8r h ASN 485 N 0.00 0.00 -3.59 1.25 2.35 -2.03 -3.43 115.58 110.13 3m8r h ASN 485 Ca -0.00 0.00 -0.64 0.00 -0.55 0.00 0.00 56.30 55.11 3m8r h ASN 485 Cb 0.34 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 38.57 3m8r h ASN 485 CO 0.01 0.00 0.19 -0.55 -1.65 0.00 0.00 177.43 175.43 3m8r s SER 486 N -5.17 6.39 0.55 5.81 0.15 -0.67 -4.91 113.70 115.84 3m8r s SER 486 Ca 0.06 -0.10 0.35 0.00 0.70 0.00 0.00 55.95 56.96 3m8r s SER 486 Cb 0.09 -2.34 1.52 0.00 -1.71 0.00 0.00 66.02 63.58 3m8r s SER 486 CO 0.56 -0.74 2.03 0.08 1.20 0.00 0.00 173.24 176.37 3m8r h ARG 487 N 8.74 0.00 -0.06 5.44 -0.00 -1.85 -1.23 114.38 125.41 3m8r h ARG 487 Ca -0.26 0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 59.69 3m8r h ARG 487 Cb 1.10 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.07 3m8r h ARG 487 CO 0.89 0.00 -0.10 -0.44 -0.00 0.00 0.00 179.97 180.32 3m8r h ASP 488 N 0.00 0.20 -0.37 0.08 5.19 -1.94 -1.44 116.42 118.14 3m8r h ASP 488 Ca 0.00 -0.54 -0.10 0.00 -0.62 0.00 0.00 57.03 55.77 3m8r h ASP 488 Cb 0.41 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.85 3m8r h ASP 488 CO 0.00 0.69 -0.14 1.56 -3.12 0.00 0.00 179.24 178.23 3m8r h GLN 489 N -0.30 0.83 -0.70 3.56 4.20 -1.78 -2.79 115.11 118.14 3m8r h GLN 489 Ca 0.01 -0.30 -0.04 0.00 0.06 0.00 0.00 58.65 58.37 3m8r h GLN 489 Cb 0.65 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.35 3m8r h GLN 489 CO 0.02 0.93 0.28 1.25 -0.67 0.00 0.00 178.83 180.64 3m8r h LEU 490 N 0.75 0.97 -0.44 1.46 5.85 -1.27 -2.36 115.31 120.27 3m8r h LEU 490 Ca 0.12 -0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.74 3m8r h LEU 490 Cb 0.65 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 41.36 3m8r h LEU 490 CO 0.05 0.87 0.03 -0.08 -0.34 0.00 0.00 178.44 178.97 3m8r h GLU 491 N 1.00 0.14 -0.49 1.25 4.81 -1.00 -0.32 114.58 119.97 3m8r h GLU 491 Ca 0.23 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.42 3m8r h GLU 491 Cb 0.21 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 3m8r h GLU 491 CO -0.02 0.10 0.16 -0.09 -0.73 0.00 0.00 179.01 178.43 3m8r h ARG 492 N 0.15 0.76 -0.75 1.92 2.43 -1.28 -1.52 114.38 116.09 3m8r h ARG 492 Ca 0.22 -0.16 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 3m8r h ARG 492 Cb 0.31 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 3m8r h ARG 492 CO -0.34 0.71 0.29 0.28 -1.51 0.00 0.00 179.97 179.40 3m8r h VAL 493 N 0.67 1.26 0.01 0.20 2.07 -0.88 -1.03 116.25 118.53 3m8r h VAL 493 Ca 0.16 -0.81 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 3m8r h VAL 493 Cb 0.26 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 3m8r h VAL 493 CO -0.01 0.33 -0.13 -0.07 0.02 0.00 0.00 177.57 177.71 3m8r h LEU 494 N 1.09 0.10 0.00 2.57 3.38 -0.86 -1.35 115.31 120.24 3m8r h LEU 494 Ca 0.25 -0.83 -0.02 0.00 0.09 0.00 0.00 57.88 57.37 3m8r h LEU 494 Cb 0.23 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3m8r h LEU 494 CO -0.02 0.92 -1.98 0.49 0.09 0.00 0.00 178.44 177.94 3m8r n PHE 495 N -4.59 0.04 -0.10 1.13 3.72 -0.59 -0.80 117.46 116.27 3m8r n PHE 495 Ca -0.10 0.01 -0.15 0.00 -0.05 0.00 0.00 57.45 57.17 3m8r n PHE 495 Cb 0.47 -0.55 -0.05 0.00 -0.94 0.00 0.00 39.48 38.40 3m8r n PHE 495 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3m8r n ASP 496 N -2.31 1.92 0.00 4.37 8.00 -0.46 -3.96 116.55 124.12 3m8r n ASP 496 Ca -0.06 0.38 -0.09 0.00 0.71 0.00 0.00 54.79 55.73 3m8r n ASP 496 Cb 0.61 -0.79 -0.07 0.00 -0.02 0.00 0.00 41.12 40.85 3m8r n ASP 496 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3m8r h GLU 497 N -1.00 -0.12 -0.00 -1.24 5.08 -1.40 -3.28 114.58 112.61 3m8r h GLU 497 Ca -0.21 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3m8r h GLU 497 Cb 1.12 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3m8r h GLU 497 CO -0.13 0.32 -0.09 1.28 -1.00 0.00 0.00 179.01 179.39 3m8r n LEU 498 N -4.82 0.27 -3.73 1.33 4.77 -0.51 -4.94 117.00 109.37 3m8r n LEU 498 Ca -0.06 0.15 -0.22 0.00 -0.03 0.00 0.00 56.01 55.85 3m8r n LEU 498 Cb 0.25 -0.26 0.02 0.00 -2.33 0.00 0.00 43.42 41.10 3m8r n LEU 498 CO 0.21 0.05 -0.10 0.61 -1.33 0.00 0.00 177.39 176.83 3m8r n GLY 499 N 1.33 -0.32 3.90 -0.72 0.00 -1.10 -4.94 105.19 103.33 3m8r n GLY 499 Ca 0.13 0.15 -0.28 0.00 0.00 0.00 0.00 46.02 46.01 3m8r n GLY 499 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m8r s LEU 500 N -6.69 3.67 -0.01 0.99 1.43 0.02 -4.97 118.68 113.11 3m8r s LEU 500 Ca 0.03 1.00 -0.30 0.00 -1.03 0.00 0.00 54.13 53.83 3m8r s LEU 500 Cb -0.01 -3.94 -0.04 0.00 0.03 0.00 0.00 46.19 42.23 3m8r s LEU 500 CO 0.83 -0.54 1.24 -2.16 0.23 0.00 0.00 176.35 175.95 3m8r s PRO 501 N -4.50 4.36 -0.16 1.29 0.04 -1.26 -4.49 135.00 130.27 3m8r s PRO 501 Ca 0.49 1.76 -0.29 0.00 0.04 0.00 0.00 61.00 62.99 3m8r s PRO 501 Cb -0.10 -3.51 -0.01 0.00 0.04 0.00 0.00 34.50 30.93 3m8r s PRO 501 CO 0.41 -0.42 1.09 0.00 0.04 0.00 0.00 177.00 178.12 3m8r s ALA 502 N 1.95 3.59 -0.13 8.56 0.00 -1.26 -4.94 121.76 129.53 3m8r s ALA 502 Ca 0.58 0.33 0.03 0.00 0.00 0.00 0.00 51.96 52.90 3m8r s ALA 502 Cb -0.27 -3.53 -0.24 0.00 0.00 0.00 0.00 23.12 19.08 3m8r s ALA 502 CO 0.25 -0.92 0.32 -0.89 0.00 0.00 0.00 175.76 174.52 3m8r n ILE 503 N 5.05 1.65 -4.08 0.00 5.41 -1.26 -5.02 119.36 121.10 3m8r n ILE 503 Ca 0.11 -0.71 -0.10 0.00 1.00 0.00 0.00 62.75 63.06 3m8r n ILE 503 Cb 0.47 -1.35 -0.07 0.00 -0.71 0.00 0.00 39.64 37.98 3m8r n ILE 503 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3m8r s GLY 504 N -5.59 0.90 0.20 7.39 0.00 -1.26 -5.07 107.32 103.89 3m8r s GLY 504 Ca -0.18 -1.20 0.11 0.00 0.00 0.00 0.00 44.72 43.45 3m8r s GLY 504 CO 0.77 -0.92 -0.19 0.54 0.00 0.00 0.00 173.10 173.29 3m8r s LYS 505 N -4.04 1.69 0.56 2.90 -0.14 -1.26 -0.81 119.74 118.64 3m8r s LYS 505 Ca 0.29 -1.48 -0.11 0.00 -1.36 0.00 0.00 55.97 53.30 3m8r s LYS 505 Cb 0.02 -1.92 -0.05 0.00 -1.68 0.00 0.00 37.83 34.20 3m8r s LYS 505 CO 0.11 0.40 0.96 0.95 -0.76 0.00 0.00 175.35 177.00 3m8r s THR 506 N -1.78 4.72 -0.03 2.17 -4.23 0.36 -4.76 115.64 112.09 3m8r s THR 506 Ca 0.23 0.79 -0.23 0.00 -1.18 0.00 0.00 61.69 61.30 3m8r s THR 506 Cb -0.08 -3.83 -0.17 0.00 1.34 0.00 0.00 72.50 69.76 3m8r s THR 506 CO 0.12 -0.97 1.04 -0.08 -0.54 0.00 0.00 174.62 174.18 3m8r h GLU 507 N 0.10 -0.22 0.06 3.99 4.57 -1.98 -2.78 114.58 118.32 3m8r h GLU 507 Ca -0.45 0.01 -0.27 0.00 -1.18 0.00 0.00 59.36 57.47 3m8r h GLU 507 Cb 1.19 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.81 3m8r h GLU 507 CO 0.62 0.20 -1.41 0.87 -1.18 0.00 0.00 179.01 178.11 3m8r h LYS 508 N -0.77 0.12 0.00 1.92 1.79 -2.00 -3.39 116.57 114.25 3m8r h LYS 508 Ca -0.02 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 58.24 3m8r h LYS 508 Cb 0.52 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 3m8r h LYS 508 CO 0.04 0.95 0.00 0.25 -1.08 0.00 0.00 179.45 179.61 3m8r n THR 509 N -3.34 0.37 -2.33 -0.16 -2.24 -1.26 -5.02 114.28 100.30 3m8r n THR 509 Ca -0.12 -0.58 -0.21 0.00 -2.27 0.00 0.00 64.05 60.87 3m8r n THR 509 Cb 1.01 0.93 -0.02 0.00 -2.10 0.00 0.00 70.33 70.15 3m8r n THR 509 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3m8r n GLY 510 N -0.18 -0.29 3.85 3.38 0.00 -1.05 -4.97 105.19 105.93 3m8r n GLY 510 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3m8r n GLY 510 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m8r s LYS 511 N -4.94 3.63 -0.14 1.61 1.02 -1.26 -4.67 119.74 114.99 3m8r s LYS 511 Ca 0.00 0.85 -0.29 0.00 0.02 0.00 0.00 55.97 56.55 3m8r s LYS 511 Cb 0.00 -2.09 -0.03 0.00 -0.52 0.00 0.00 37.83 35.19 3m8r s LYS 511 CO 0.00 -0.54 1.54 1.03 -0.92 0.00 0.00 175.35 176.46 3m8r s ARG 512 N -4.79 4.05 0.40 1.68 0.52 -1.26 -0.49 118.95 119.06 3m8r s ARG 512 Ca 0.57 1.86 -0.25 0.00 -0.52 0.00 0.00 55.73 57.38 3m8r s ARG 512 Cb -0.11 -3.95 -0.08 0.00 0.52 0.00 0.00 34.95 31.32 3m8r s ARG 512 CO 0.47 -0.98 1.20 0.45 0.02 0.00 0.00 175.30 176.45 3m8r s SER 513 N 3.34 6.47 -0.18 0.23 0.15 0.01 -4.88 113.70 118.84 3m8r s SER 513 Ca 0.68 2.41 0.14 0.00 0.70 0.00 0.00 55.95 59.89 3m8r s SER 513 Cb -0.27 -2.62 0.37 0.00 -1.71 0.00 0.00 66.02 61.79 3m8r s SER 513 CO 0.26 -0.72 1.21 0.35 1.20 0.00 0.00 173.24 175.54 3m8r n THR 514 N 0.09 2.09 -0.96 6.45 -2.24 -1.26 -4.74 114.28 113.71 3m8r n THR 514 Ca 0.04 -2.78 -0.30 0.00 -2.27 0.00 0.00 64.05 58.74 3m8r n THR 514 Cb 0.46 -0.24 0.15 0.00 -2.10 0.00 0.00 70.33 68.60 3m8r n THR 514 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3m8r s SER 515 N -3.02 3.14 0.34 3.42 1.04 -1.26 -4.61 113.70 112.74 3m8r s SER 515 Ca 0.36 1.78 0.01 0.00 0.48 0.00 0.00 55.95 58.58 3m8r s SER 515 Cb 0.33 -2.39 0.59 0.00 0.10 0.00 0.00 66.02 64.65 3m8r s SER 515 CO -0.02 -2.89 1.99 0.00 0.98 0.00 0.00 173.24 173.30 3m8r h ALA 516 N -1.72 1.52 -0.57 5.32 0.00 -1.98 0.60 119.26 122.43 3m8r h ALA 516 Ca -0.48 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 3m8r h ALA 516 Cb 1.27 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 3m8r h ALA 516 CO 0.49 0.44 0.28 0.00 0.00 0.00 0.00 179.25 180.46 3m8r h ALA 517 N 1.57 1.42 0.01 0.00 0.00 -1.99 0.37 119.26 120.65 3m8r h ALA 517 Ca 0.26 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3m8r h ALA 517 Cb -0.08 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.49 3m8r h ALA 517 CO -0.06 0.46 -0.34 0.28 0.00 0.00 0.00 179.25 179.59 3m8r h VAL 518 N 0.80 1.55 -0.09 0.00 2.07 -1.43 -3.13 116.25 116.01 3m8r h VAL 518 Ca 0.20 -2.06 -0.00 0.00 0.82 0.00 0.00 66.70 65.66 3m8r h VAL 518 Cb 0.08 2.84 -0.00 0.00 -1.52 0.00 0.00 31.29 32.68 3m8r h VAL 518 CO -0.03 0.57 0.05 -0.07 0.02 0.00 0.00 177.57 178.11 3m8r h LEU 519 N -0.47 0.10 -0.70 2.57 3.38 -0.85 -1.56 115.31 117.78 3m8r h LEU 519 Ca -0.05 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3m8r h LEU 519 Cb 1.11 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 3m8r h LEU 519 CO 0.07 0.08 0.29 -0.08 0.09 0.00 0.00 178.44 178.89 3m8r h GLU 520 N 0.12 1.05 0.00 1.13 4.57 -0.94 -1.54 114.58 118.97 3m8r h GLU 520 Ca 0.03 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 3m8r h GLU 520 Cb -0.00 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.42 3m8r h GLU 520 CO -0.01 0.86 0.00 0.00 -1.18 0.00 0.00 179.01 178.69 3m8r h ALA 521 N 1.13 1.00 -0.46 2.92 0.00 -1.25 -2.87 119.26 119.74 3m8r h ALA 521 Ca 0.24 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 3m8r h ALA 521 Cb 0.20 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3m8r h ALA 521 CO -0.02 0.00 0.04 1.28 0.00 0.00 0.00 179.25 180.55 3m8r n LEU 522 N -2.60 4.93 -0.27 0.00 4.77 -0.64 -4.70 117.00 118.49 3m8r n LEU 522 Ca 0.03 -3.08 -0.06 0.00 -0.03 0.00 0.00 56.01 52.87 3m8r n LEU 522 Cb 0.34 -0.63 0.07 0.00 -2.33 0.00 0.00 43.42 40.86 3m8r n LEU 522 CO 0.26 0.72 1.00 0.03 -1.33 0.00 0.00 177.39 178.07 3m8r h ARG 523 N 2.64 1.16 -0.72 3.23 3.08 -1.16 -2.78 114.38 119.83 3m8r h ARG 523 Ca 0.06 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.87 3m8r h ARG 523 Cb 1.80 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.68 3m8r h ARG 523 CO 0.42 0.98 0.00 0.39 -1.07 0.00 0.00 179.97 180.68 3m8r n GLU 524 N -4.25 3.03 0.00 0.04 -0.58 -1.26 -4.17 120.64 113.44 3m8r n GLU 524 Ca 0.06 -2.73 0.11 0.00 -0.42 0.00 0.00 57.16 54.18 3m8r n GLU 524 Cb 0.22 -1.67 0.10 0.00 -0.57 0.00 0.00 31.44 29.52 3m8r n GLU 524 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3m8r n ALA 525 N 1.51 4.01 -3.65 0.62 0.00 -1.05 -4.93 120.51 117.03 3m8r n ALA 525 Ca 0.25 -0.47 -0.02 0.00 0.00 0.00 0.00 53.44 53.20 3m8r n ALA 525 Cb 0.71 -0.97 -0.07 0.00 0.00 0.00 0.00 19.45 19.12 3m8r n ALA 525 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3m8r s HIS 526 N -2.95 -0.10 0.45 0.00 5.65 -1.25 -5.03 115.29 112.06 3m8r s HIS 526 Ca 0.11 0.22 0.25 0.00 0.25 0.00 0.00 55.06 55.89 3m8r s HIS 526 Cb 0.17 0.38 1.41 0.00 -1.18 0.00 0.00 32.58 33.35 3m8r s HIS 526 CO 0.75 -0.05 2.08 -1.35 -0.65 0.00 0.00 174.74 175.53 3m8r h PRO 527 N 3.71 0.00 0.00 2.88 0.11 -1.92 -2.56 132.00 134.23 3m8r h PRO 527 Ca -0.27 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 3m8r h PRO 527 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3m8r h PRO 527 CO 0.19 0.12 -0.03 0.97 -0.21 0.00 0.00 178.00 179.04 3m8r h ILE 528 N 0.00 0.91 -0.40 4.15 2.10 -1.96 -2.87 117.51 119.45 3m8r h ILE 528 Ca -0.00 -0.10 -0.04 0.00 1.08 0.00 0.00 64.86 65.80 3m8r h ILE 528 Cb 0.28 1.06 -0.02 0.00 -1.09 0.00 0.00 36.82 37.05 3m8r h ILE 528 CO 0.02 0.03 0.10 0.58 -1.08 0.00 0.00 178.15 177.79 3m8r h VAL 529 N 0.00 1.23 -0.92 2.19 2.07 -1.77 -1.83 116.25 117.22 3m8r h VAL 529 Ca -0.00 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 3m8r h VAL 529 Cb 0.05 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 3m8r h VAL 529 CO 0.00 0.27 0.55 -0.08 0.02 0.00 0.00 177.57 178.34 3m8r h GLU 530 N 0.50 1.25 -0.80 1.57 4.57 -1.68 -2.05 114.58 117.95 3m8r h GLU 530 Ca 0.12 -0.11 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 3m8r h GLU 530 Cb 0.31 -0.26 -0.04 0.00 -0.16 0.00 0.00 28.75 28.60 3m8r h GLU 530 CO 0.00 0.88 0.36 0.87 -1.18 0.00 0.00 179.01 179.94 3m8r h LYS 531 N 1.27 1.16 -0.40 1.92 1.79 -1.50 -2.51 116.57 118.31 3m8r h LYS 531 Ca 0.33 -0.18 -0.12 0.00 -2.18 0.00 0.00 60.65 58.50 3m8r h LYS 531 Cb -0.05 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.38 3m8r h LYS 531 CO -0.06 0.91 -0.23 0.82 -1.08 0.00 0.00 179.45 179.81 3m8r h ILE 532 N 1.15 1.27 -0.26 1.86 2.04 -0.78 0.25 117.51 123.04 3m8r h ILE 532 Ca 0.27 -1.35 -0.11 0.00 1.00 0.00 0.00 64.86 64.67 3m8r h ILE 532 Cb 0.15 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 3m8r h ILE 532 CO -0.03 0.45 -0.29 -0.07 0.00 0.00 0.00 178.15 178.21 3m8r h LEU 533 N 0.70 0.53 -0.17 1.44 3.38 -1.20 0.27 115.31 120.26 3m8r h LEU 533 Ca 0.09 -0.20 -0.20 0.00 0.09 0.00 0.00 57.88 57.67 3m8r h LEU 533 Cb 0.75 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.36 3m8r h LEU 533 CO 0.06 0.80 -0.65 1.56 0.09 0.00 0.00 178.44 180.30 3m8r h GLN 534 N 0.45 0.75 -0.49 1.13 4.20 -1.26 -2.52 115.11 117.37 3m8r h GLN 534 Ca 0.06 -0.57 0.04 0.00 0.06 0.00 0.00 58.65 58.23 3m8r h GLN 534 Cb 0.74 0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.59 3m8r h GLN 534 CO 0.06 1.19 0.26 -0.92 -0.67 0.00 0.00 178.83 178.75 3m8r h TYR 535 N 0.47 0.49 -0.66 2.96 5.03 -0.73 -1.99 116.97 122.54 3m8r h TYR 535 Ca -0.03 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.29 3m8r h TYR 535 Cb 1.28 -0.15 -0.03 0.00 1.55 0.00 0.00 36.73 39.38 3m8r h TYR 535 CO 0.09 0.26 0.40 0.00 -1.32 0.00 0.00 178.16 177.59 3m8r h ARG 536 N 0.52 0.88 -0.03 1.82 2.47 -0.91 -0.86 114.38 118.27 3m8r h ARG 536 Ca 0.21 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 58.85 3m8r h ARG 536 Cb 0.09 -0.19 -0.00 0.00 -1.65 0.00 0.00 29.97 28.22 3m8r h ARG 536 CO -0.13 0.62 0.01 1.49 0.56 0.00 0.00 179.97 182.52 3m8r h GLU 537 N 0.89 0.05 -0.27 0.04 4.81 -1.04 -0.55 114.58 118.50 3m8r h GLU 537 Ca 0.24 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 3m8r h GLU 537 Cb -0.04 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3m8r h GLU 537 CO -0.05 0.22 0.12 -0.07 -0.73 0.00 0.00 179.01 178.50 3m8r h LEU 538 N -0.13 0.36 -0.63 1.64 4.07 -1.22 -2.13 115.31 117.28 3m8r h LEU 538 Ca 0.01 -0.15 -0.13 0.00 0.08 0.00 0.00 57.88 57.69 3m8r h LEU 538 Cb 0.19 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.83 3m8r h LEU 538 CO -0.00 0.42 -0.37 0.71 -1.08 0.00 0.00 178.44 178.12 3m8r h THR 539 N 0.29 1.29 -0.21 0.22 1.35 -1.13 -0.42 112.91 114.30 3m8r h THR 539 Ca 0.09 -1.52 0.02 0.00 -0.55 0.00 0.00 66.41 64.45 3m8r h THR 539 Cb 0.16 1.46 -0.02 0.00 -1.73 0.00 0.00 68.15 68.01 3m8r h THR 539 CO -0.01 0.49 0.07 0.50 -0.25 0.00 0.00 175.52 176.32 3m8r h LYS 540 N 0.56 0.17 -0.29 4.72 1.63 -1.02 -0.93 116.57 121.40 3m8r h LYS 540 Ca 0.05 -0.01 -0.17 0.00 -0.85 0.00 0.00 60.65 59.67 3m8r h LYS 540 Cb 0.89 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.48 3m8r h LYS 540 CO 0.08 0.11 -0.50 -0.07 -3.45 0.00 0.00 179.45 175.62 3m8r h LEU 541 N 0.17 0.94 -0.31 5.20 3.38 -1.14 -2.15 115.31 121.40 3m8r h LEU 541 Ca 0.09 -0.53 -0.06 0.00 0.09 0.00 0.00 57.88 57.48 3m8r h LEU 541 Cb 0.06 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3m8r h LEU 541 CO -0.09 1.29 -0.02 0.50 0.09 0.00 0.00 178.44 180.20 3m8r h LYS 542 N 0.62 0.57 0.00 1.13 3.64 -1.03 -1.39 116.57 120.10 3m8r h LYS 542 Ca 0.02 -0.19 -0.07 0.00 -1.27 0.00 0.00 60.65 59.14 3m8r h LYS 542 Cb 1.11 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 3m8r h LYS 542 CO 0.11 0.72 -0.34 0.66 -2.27 0.00 0.00 179.45 178.34 3m8r h SER 543 N 0.36 0.00 0.09 4.20 4.64 -1.18 -1.63 113.55 120.03 3m8r h SER 543 Ca 0.09 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.05 3m8r h SER 543 Cb 0.48 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.50 3m8r h SER 543 CO 0.02 0.34 -2.27 0.41 -0.87 0.00 0.00 176.83 174.45 3m8r n THR 544 N -3.24 1.47 0.06 2.95 -1.04 -0.81 -4.57 114.28 109.09 3m8r n THR 544 Ca 0.02 -0.79 0.00 0.00 -2.04 0.00 0.00 64.05 61.24 3m8r n THR 544 Cb 0.62 -0.80 0.00 0.00 -1.82 0.00 0.00 70.33 68.33 3m8r n THR 544 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3m8r n TYR 545 N -2.93 -0.53 -0.20 -1.42 4.01 -0.58 -4.68 117.16 110.84 3m8r n TYR 545 Ca -0.33 0.09 -0.03 0.00 -0.16 0.00 0.00 57.90 57.48 3m8r n TYR 545 Cb 1.11 0.15 0.08 0.00 -0.31 0.00 0.00 39.34 40.36 3m8r n TYR 545 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 3m8r h ILE 546 N 0.00 0.94 0.01 -0.72 2.04 -1.40 -2.59 117.51 115.80 3m8r h ILE 546 Ca 0.00 -0.19 -0.13 0.00 1.00 0.00 0.00 64.86 65.54 3m8r h ILE 546 Cb 0.16 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 3m8r h ILE 546 CO 0.00 0.10 -0.68 0.44 0.00 0.00 0.00 178.15 178.01 3m8r h ASP 547 N 0.56 0.05 -0.50 1.72 3.32 -1.56 -3.40 116.42 116.61 3m8r h ASP 547 Ca 0.27 -0.78 -0.08 0.00 0.02 0.00 0.00 57.03 56.46 3m8r h ASP 547 Cb 0.19 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 3m8r h ASP 547 CO -0.19 1.27 -0.00 -0.65 -1.72 0.00 0.00 179.24 177.95 3m8r h PRO 548 N -0.92 0.88 -0.60 3.56 0.11 -1.79 -3.34 132.00 129.91 3m8r h PRO 548 Ca -0.18 -0.28 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3m8r h PRO 548 Cb 1.21 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 3m8r h PRO 548 CO -0.08 0.92 0.32 -0.07 -0.21 0.00 0.00 178.00 178.88 3m8r h LEU 549 N 0.75 0.75 -2.15 2.35 3.38 -1.66 -1.85 115.31 116.87 3m8r h LEU 549 Ca 0.14 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3m8r h LEU 549 Cb 0.52 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3m8r h LEU 549 CO 0.03 0.63 -0.03 -0.65 0.09 0.00 0.00 178.44 178.51 3m8r h PRO 550 N 0.81 0.00 0.00 1.13 0.11 -1.76 -1.46 132.00 130.83 3m8r h PRO 550 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 3m8r h PRO 550 Cb 0.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.16 3m8r h PRO 550 CO -0.03 0.03 0.00 -0.25 -0.21 0.00 0.00 178.00 177.53 3m8r n ASP 551 N -4.17 0.00 -1.11 -2.05 8.00 -0.70 -3.63 116.55 112.89 3m8r n ASP 551 Ca -0.03 -0.31 0.08 0.00 0.71 0.00 0.00 54.79 55.24 3m8r n ASP 551 Cb 0.11 -0.21 0.27 0.00 -0.02 0.00 0.00 41.12 41.27 3m8r n ASP 551 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3m8r n LEU 552 N -1.21 3.89 -4.71 0.64 4.77 -0.55 -4.96 117.00 114.87 3m8r n LEU 552 Ca 0.15 -2.34 -0.42 0.00 -0.03 0.00 0.00 56.01 53.37 3m8r n LEU 552 Cb 0.18 -0.44 -0.03 0.00 -2.33 0.00 0.00 43.42 40.80 3m8r n LEU 552 CO 0.19 0.78 0.99 -0.63 -1.33 0.00 0.00 177.39 177.40 3m8r s ILE 553 N -1.63 3.69 0.21 -0.08 -1.09 -1.24 -4.53 121.20 116.54 3m8r s ILE 553 Ca 0.40 1.20 -0.30 0.00 -2.23 0.00 0.00 60.65 59.72 3m8r s ILE 553 Cb 0.25 -3.77 -0.08 0.00 -1.58 0.00 0.00 42.46 37.28 3m8r s ILE 553 CO 0.20 0.08 1.06 -2.28 -1.23 0.00 0.00 174.94 172.77 3m8r s HIS 554 N 1.28 3.67 0.21 3.97 2.46 -0.47 -4.90 115.29 121.51 3m8r s HIS 554 Ca 0.62 1.69 -0.07 0.00 0.47 0.00 0.00 55.06 57.77 3m8r s HIS 554 Cb -0.33 -3.21 0.16 0.00 -0.13 0.00 0.00 32.58 29.08 3m8r s HIS 554 CO 0.29 -0.35 1.76 -1.00 -2.47 0.00 0.00 174.74 172.97 3m8r h PRO 555 N 4.67 1.15 -0.09 2.88 0.13 -1.93 0.53 132.00 139.35 3m8r h PRO 555 Ca -0.45 -0.24 -0.16 0.00 -0.87 0.00 0.00 66.00 64.28 3m8r h PRO 555 Cb 1.21 -0.17 0.01 0.00 0.13 0.00 0.00 31.00 32.18 3m8r h PRO 555 CO 0.70 0.97 -0.56 0.00 -0.23 0.00 0.00 178.00 178.88 3m8r h ARG 556 N 1.10 0.53 0.00 0.86 3.08 -1.97 -3.36 114.38 114.62 3m8r h ARG 556 Ca 0.24 -0.46 -0.17 0.00 0.07 0.00 0.00 59.98 59.66 3m8r h ARG 556 Cb 0.29 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 3m8r h ARG 556 CO -0.01 1.09 -1.60 0.25 -1.07 0.00 0.00 179.97 178.62 3m8r n THR 557 N -4.19 1.07 -1.27 2.04 -2.24 -1.22 -4.96 114.28 103.51 3m8r n THR 557 Ca -0.08 -0.69 -0.09 0.00 -2.27 0.00 0.00 64.05 60.91 3m8r n THR 557 Cb 0.63 -0.61 -0.04 0.00 -2.10 0.00 0.00 70.33 68.21 3m8r n THR 557 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3m8r n GLY 558 N 1.42 1.07 3.42 3.38 0.00 0.18 -5.00 105.19 109.66 3m8r n GLY 558 Ca -0.12 -0.42 -0.21 0.00 0.00 0.00 0.00 46.02 45.27 3m8r n GLY 558 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m8r s ARG 559 N -2.62 1.63 -0.19 1.61 0.52 -1.25 -4.77 118.95 113.88 3m8r s ARG 559 Ca 0.00 -1.92 -0.10 0.00 -0.52 0.00 0.00 55.73 53.19 3m8r s ARG 559 Cb 0.00 -0.62 -0.05 0.00 0.52 0.00 0.00 34.95 34.80 3m8r s ARG 559 CO 0.00 -0.28 0.14 -1.17 0.02 0.00 0.00 175.30 174.01 3m8r s LEU 560 N -3.46 4.22 -0.16 2.53 2.96 -0.13 -1.37 118.68 123.28 3m8r s LEU 560 Ca 0.35 0.26 0.01 0.00 -0.22 0.00 0.00 54.13 54.53 3m8r s LEU 560 Cb 0.07 -2.11 0.02 0.00 0.50 0.00 0.00 46.19 44.67 3m8r s LEU 560 CO 0.15 0.18 -0.17 -1.00 -1.32 0.00 0.00 176.35 174.20 3m8r s HIS 561 N 0.30 2.42 0.51 5.38 3.76 -1.26 -0.98 115.29 125.42 3m8r s HIS 561 Ca 0.09 -1.38 0.07 0.00 -0.15 0.00 0.00 55.06 53.69 3m8r s HIS 561 Cb -0.11 -1.72 0.04 0.00 1.11 0.00 0.00 32.58 31.90 3m8r s HIS 561 CO -0.01 -0.72 0.69 -0.08 -0.85 0.00 0.00 174.74 173.78 3m8r s THR 562 N 1.37 2.64 -0.09 1.30 -1.32 -1.26 -4.22 115.64 114.05 3m8r s THR 562 Ca 0.04 -0.93 0.03 0.00 -1.21 0.00 0.00 61.69 59.63 3m8r s THR 562 Cb -0.13 -2.71 -0.01 0.00 -1.51 0.00 0.00 72.50 68.14 3m8r s THR 562 CO -0.11 0.00 -0.18 -0.13 -2.21 0.00 0.00 174.62 171.99 3m8r s ARG 563 N -4.56 2.90 -0.48 7.08 0.52 -0.62 -4.66 118.95 119.13 3m8r s ARG 563 Ca 0.58 -0.78 -0.14 0.00 -0.52 0.00 0.00 55.73 54.87 3m8r s ARG 563 Cb -0.08 -2.39 0.10 0.00 0.52 0.00 0.00 34.95 33.09 3m8r s ARG 563 CO 0.36 0.35 0.40 -0.06 0.02 0.00 0.00 175.30 176.37 3m8r s PHE 564 N -0.03 3.28 -0.13 -0.53 0.08 -1.26 -1.84 117.98 117.56 3m8r s PHE 564 Ca -0.05 -1.26 -0.29 0.00 0.12 0.00 0.00 56.93 55.45 3m8r s PHE 564 Cb -0.14 -3.36 -0.01 0.00 -0.57 0.00 0.00 43.02 38.93 3m8r s PHE 564 CO 0.04 -0.90 1.05 -0.80 -0.10 0.00 0.00 175.22 174.52 3m8r s ASN 565 N 2.82 7.18 0.02 1.36 0.01 -0.35 -4.92 114.94 121.06 3m8r s ASN 565 Ca 0.04 1.55 0.22 0.00 -0.71 0.00 0.00 52.86 53.96 3m8r s ASN 565 Cb -0.26 -2.55 -0.15 0.00 0.41 0.00 0.00 41.25 38.70 3m8r s ASN 565 CO 0.04 -0.53 0.81 1.67 -1.51 0.00 0.00 177.10 177.58 3m8r n GLN 566 N 5.37 0.39 -3.01 -0.60 7.27 -1.26 -2.46 117.38 123.08 3m8r n GLN 566 Ca 0.10 -0.06 -0.23 0.00 0.07 0.00 0.00 57.00 56.88 3m8r n GLN 566 Cb 0.48 -1.57 -0.03 0.00 2.41 0.00 0.00 30.24 31.53 3m8r n GLN 566 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 3m8r n THR 567 N -2.03 1.78 0.00 1.69 -2.24 -1.26 -4.86 114.28 107.36 3m8r n THR 567 Ca 0.00 -5.11 0.00 0.00 -2.27 0.00 0.00 64.05 56.67 3m8r n THR 567 Cb 0.47 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.79 3m8r n THR 567 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3m8r n ALA 568 N -0.06 1.72 -2.50 6.98 0.00 -1.26 -4.30 120.51 121.09 3m8r n ALA 568 Ca 0.28 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.49 3m8r n ALA 568 Cb 0.52 0.05 -0.10 0.00 0.00 0.00 0.00 19.45 19.92 3m8r n ALA 568 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3m8r s THR 569 N -1.72 2.65 -1.02 0.00 -4.23 -1.26 -5.02 115.64 105.04 3m8r s THR 569 Ca 0.00 -2.31 0.28 0.00 -1.18 0.00 0.00 61.69 58.48 3m8r s THR 569 Cb 0.00 -2.39 0.20 0.00 1.34 0.00 0.00 72.50 71.64 3m8r s THR 569 CO 0.00 -0.39 1.82 0.00 -0.54 0.00 0.00 174.62 175.51 3m8r n ALA 570 N -0.64 2.61 0.12 3.99 0.00 -1.26 -3.93 120.51 121.39 3m8r n ALA 570 Ca -0.05 -0.16 0.04 0.00 0.00 0.00 0.00 53.44 53.27 3m8r n ALA 570 Cb 0.60 -1.39 -0.06 0.00 0.00 0.00 0.00 19.45 18.59 3m8r n ALA 570 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3m8r n THR 571 N -1.49 0.00 0.00 0.00 -2.24 -1.26 -4.70 114.28 104.59 3m8r n THR 571 Ca 0.07 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3m8r n THR 571 Cb 0.34 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 3m8r n THR 571 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3m8r n GLY 572 N 1.76 0.82 3.73 3.38 0.00 -1.25 -4.09 105.19 109.53 3m8r n GLY 572 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 3m8r n GLY 572 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m8r s ARG 573 N -0.44 2.24 0.82 1.61 0.52 -1.26 -4.77 118.95 117.67 3m8r s ARG 573 Ca 0.00 1.69 -0.12 0.00 -0.52 0.00 0.00 55.73 56.78 3m8r s ARG 573 Cb 0.00 -1.85 0.08 0.00 0.52 0.00 0.00 34.95 33.70 3m8r s ARG 573 CO 0.00 -1.74 1.11 -0.51 0.02 0.00 0.00 175.30 174.18 3m8r s LEU 574 N -5.12 2.46 0.33 2.53 1.43 -1.26 -4.26 118.68 114.78 3m8r s LEU 574 Ca 0.73 1.16 0.03 0.00 -1.03 0.00 0.00 54.13 55.01 3m8r s LEU 574 Cb -0.27 -3.70 -0.05 0.00 0.03 0.00 0.00 46.19 42.20 3m8r s LEU 574 CO 0.45 -2.06 0.09 -0.94 0.23 0.00 0.00 176.35 174.11 3m8r s SER 575 N -4.03 2.14 -0.01 2.29 1.04 -1.03 -4.93 113.70 109.17 3m8r s SER 575 Ca 0.61 -1.46 0.02 0.00 0.48 0.00 0.00 55.95 55.60 3m8r s SER 575 Cb -0.14 0.14 -0.00 0.00 0.10 0.00 0.00 66.02 66.12 3m8r s SER 575 CO 0.53 -0.73 -0.06 -0.55 0.98 0.00 0.00 173.24 173.41 3m8r s SER 576 N -3.47 0.74 0.08 7.02 0.15 -1.26 -1.21 113.70 115.76 3m8r s SER 576 Ca 0.34 -0.11 -0.16 0.00 0.70 0.00 0.00 55.95 56.72 3m8r s SER 576 Cb 0.07 -0.11 0.03 0.00 -1.71 0.00 0.00 66.02 64.30 3m8r s SER 576 CO 0.15 0.07 0.38 -0.94 1.20 0.00 0.00 173.24 174.09 3m8r s SER 577 N -0.05 -0.21 -0.74 5.45 1.04 -0.77 -4.17 113.70 114.25 3m8r s SER 577 Ca 0.01 -0.22 -0.00 0.00 0.48 0.00 0.00 55.95 56.22 3m8r s SER 577 Cb -0.03 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.52 3m8r s SER 577 CO -0.00 -0.75 0.62 0.47 0.98 0.00 0.00 173.24 174.56 3m8r n ASP 578 N 0.15 -2.21 -4.95 7.02 8.00 -1.26 -1.59 116.55 121.70 3m8r n ASP 578 Ca -0.17 -0.38 -0.23 0.00 0.71 0.00 0.00 54.79 54.72 3m8r n ASP 578 Cb 0.62 -3.33 -0.00 0.00 -0.02 0.00 0.00 41.12 38.38 3m8r n ASP 578 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3m8r s PRO 579 N -4.90 3.32 -0.21 -0.24 0.04 -1.26 -4.55 135.00 127.20 3m8r s PRO 579 Ca 0.03 -0.41 -0.29 0.00 0.04 0.00 0.00 61.00 60.37 3m8r s PRO 579 Cb -0.01 -2.62 -0.03 0.00 0.04 0.00 0.00 34.50 31.87 3m8r s PRO 579 CO 0.45 -0.01 1.65 1.21 0.04 0.00 0.00 177.00 180.33 3m8r s ASN 580 N -4.11 6.36 0.00 6.66 3.84 -1.26 -4.48 114.94 121.95 3m8r s ASN 580 Ca 0.43 1.67 0.17 0.00 0.21 0.00 0.00 52.86 55.35 3m8r s ASN 580 Cb -0.10 -2.53 0.46 0.00 -0.55 0.00 0.00 41.25 38.53 3m8r s ASN 580 CO 0.37 -1.27 1.38 0.18 -2.79 0.00 0.00 177.10 174.97 3m8r n LEU 581 N 8.49 3.39 -0.74 3.21 4.77 -1.26 -4.24 117.00 130.63 3m8r n LEU 581 Ca 0.19 -1.90 0.12 0.00 -0.03 0.00 0.00 56.01 54.40 3m8r n LEU 581 Cb 0.45 -0.34 0.33 0.00 -2.33 0.00 0.00 43.42 41.53 3m8r n LEU 581 CO 0.65 0.83 0.76 0.00 -1.33 0.00 0.00 177.39 178.29 3m8r n GLN 582 N 1.12 2.00 -1.40 3.23 6.02 -1.26 -4.22 117.38 122.87 3m8r n GLN 582 Ca 0.18 -1.47 0.02 0.00 -0.01 0.00 0.00 57.00 55.72 3m8r n GLN 582 Cb 0.53 -1.46 0.08 0.00 1.02 0.00 0.00 30.24 30.41 3m8r n GLN 582 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 3m8r n ASN 583 N 0.74 1.58 -4.75 1.08 2.04 -1.26 -5.02 115.26 109.67 3m8r n ASN 583 Ca 0.17 -2.75 -0.41 0.00 -0.44 0.00 0.00 54.58 51.15 3m8r n ASN 583 Cb 0.45 -0.40 -0.02 0.00 -2.53 0.00 0.00 39.78 37.29 3m8r n ASN 583 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 3m8r s ILE 584 N -1.82 2.43 0.84 1.53 -1.09 -1.26 -4.95 121.20 116.88 3m8r s ILE 584 Ca 0.36 0.38 -0.14 0.00 -2.23 0.00 0.00 60.65 59.02 3m8r s ILE 584 Cb 0.38 -3.24 0.04 0.00 -1.58 0.00 0.00 42.46 38.06 3m8r s ILE 584 CO -0.11 0.07 0.79 -2.65 -1.23 0.00 0.00 174.94 171.80 3m8r n PRO 585 N 1.92 0.01 0.00 2.79 -0.02 -1.26 -4.94 135.00 133.51 3m8r n PRO 585 Ca 0.06 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 3m8r n PRO 585 Cb 0.39 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3m8r n PRO 585 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3m8r n VAL 586 N -3.24 0.00 -0.05 -1.45 3.14 -1.26 -4.35 118.33 111.12 3m8r n VAL 586 Ca 0.10 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.40 3m8r n VAL 586 Cb 0.51 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 33.22 3m8r n VAL 586 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 3m8r h ARG 587 N 0.00 -0.02 -7.02 1.45 2.43 -1.92 -3.41 114.38 105.90 3m8r h ARG 587 Ca 0.00 0.00 -0.45 0.00 -0.81 0.00 0.00 59.98 58.72 3m8r h ARG 587 Cb 0.00 0.00 0.06 0.00 -0.42 0.00 0.00 29.97 29.62 3m8r h ARG 587 CO 0.00 0.56 0.07 0.95 -1.51 0.00 0.00 179.97 180.04 3m8r s THR 588 N -2.06 2.47 0.21 0.20 -4.23 -1.26 -4.90 115.64 106.06 3m8r s THR 588 Ca -0.11 -0.53 -0.10 0.00 -1.18 0.00 0.00 61.69 59.77 3m8r s THR 588 Cb -0.02 -2.94 0.15 0.00 1.34 0.00 0.00 72.50 71.04 3m8r s THR 588 CO 0.41 0.00 1.85 -0.65 -0.54 0.00 0.00 174.62 175.69 3m8r h PRO 589 N -0.23 1.02 -0.42 3.99 0.11 -2.00 -0.86 132.00 133.62 3m8r h PRO 589 Ca -0.42 -0.09 -0.13 0.00 0.11 0.00 0.00 66.00 65.47 3m8r h PRO 589 Cb 1.30 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3m8r h PRO 589 CO 0.53 0.72 -0.25 1.25 -0.21 0.00 0.00 178.00 180.04 3m8r h LEU 590 N 1.03 0.91 -1.02 2.35 5.85 -1.99 -2.11 115.31 120.33 3m8r h LEU 590 Ca 0.27 -0.35 0.02 0.00 0.84 0.00 0.00 57.88 58.66 3m8r h LEU 590 Cb -0.03 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.69 3m8r h LEU 590 CO -0.05 1.11 0.66 1.23 -0.34 0.00 0.00 178.44 181.05 3m8r h GLY 591 N 0.91 1.43 1.46 3.75 0.00 -1.84 -1.77 103.07 107.01 3m8r h GLY 591 Ca 0.09 -0.52 -0.14 0.00 0.00 0.00 0.00 47.33 46.77 3m8r h GLY 591 CO 0.07 0.49 -0.42 1.46 0.00 0.00 0.00 176.54 178.15 3m8r h GLN 592 N 1.34 0.59 -0.78 4.80 4.20 -0.95 -1.56 115.11 122.76 3m8r h GLN 592 Ca 0.38 -0.31 0.08 0.00 0.06 0.00 0.00 58.65 58.86 3m8r h GLN 592 Cb -0.12 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 27.60 3m8r h GLN 592 CO -0.09 0.90 0.44 0.00 -0.67 0.00 0.00 178.83 179.41 3m8r h ARG 593 N 0.48 0.73 -0.40 1.46 3.08 -0.86 -2.14 114.38 116.74 3m8r h ARG 593 Ca 0.04 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 59.89 3m8r h ARG 593 Cb 0.93 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 3m8r h ARG 593 CO 0.08 0.48 -0.35 0.82 -1.07 0.00 0.00 179.97 179.94 3m8r h ILE 594 N 0.75 1.27 0.00 2.04 2.04 -0.80 -2.91 117.51 119.91 3m8r h ILE 594 Ca 0.37 -1.52 -0.03 0.00 1.00 0.00 0.00 64.86 64.68 3m8r h ILE 594 Cb 0.31 1.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.71 3m8r h ILE 594 CO -0.23 0.51 -0.15 -0.09 0.00 0.00 0.00 178.15 178.19 3m8r h ARG 595 N 0.77 0.00 0.00 2.37 2.43 -0.90 -1.65 114.38 117.39 3m8r h ARG 595 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3m8r h ARG 595 Cb 0.93 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 3m8r h ARG 595 CO 0.09 0.15 0.00 0.00 -1.51 0.00 0.00 179.97 178.70 3m8r h ARG 596 N 0.00 0.00 0.00 0.20 3.08 -1.18 -2.37 114.38 114.11 3m8r h ARG 596 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3m8r h ARG 596 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3m8r h ARG 596 CO 0.02 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.92 3m8r h ALA 597 N 2.07 1.00 -1.84 0.04 0.00 -1.38 -3.40 119.26 115.73 3m8r h ALA 597 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.30 3m8r h ALA 597 Cb 0.23 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.89 3m8r h ALA 597 CO 0.00 0.00 0.53 -0.06 0.00 0.00 0.00 179.25 179.72 3m8r s PHE 598 N -3.62 2.83 0.34 0.00 0.40 -0.89 -0.54 117.98 116.49 3m8r s PHE 598 Ca 0.01 0.00 0.06 0.00 -0.60 0.00 0.00 56.93 56.40 3m8r s PHE 598 Cb 0.09 -4.02 -0.07 0.00 0.51 0.00 0.00 43.02 39.54 3m8r s PHE 598 CO 0.51 -1.30 0.01 0.96 0.70 0.00 0.00 175.22 176.10 3m8r s ILE 599 N 3.83 1.57 0.42 0.64 -4.36 -0.82 -0.82 121.20 121.66 3m8r s ILE 599 Ca 0.30 -2.04 -0.09 0.00 -0.26 0.00 0.00 60.65 58.56 3m8r s ILE 599 Cb -0.13 -2.77 -0.06 0.00 1.25 0.00 0.00 42.46 40.76 3m8r s ILE 599 CO 0.20 -0.08 0.77 0.00 0.24 0.00 0.00 174.94 176.07 3m8r s ALA 600 N -3.03 3.37 0.50 2.27 0.00 -0.46 -3.92 121.76 120.48 3m8r s ALA 600 Ca 0.34 -0.29 -0.22 0.00 0.00 0.00 0.00 51.96 51.79 3m8r s ALA 600 Cb 0.08 -2.66 -0.06 0.00 0.00 0.00 0.00 23.12 20.47 3m8r s ALA 600 CO 0.15 -0.09 1.23 -2.00 0.00 0.00 0.00 175.76 175.05 3m8r s GLU 601 N -4.08 3.50 0.01 0.00 2.12 -1.26 -4.89 118.70 114.11 3m8r s GLU 601 Ca 0.50 1.93 -0.38 0.00 0.36 0.00 0.00 54.97 57.37 3m8r s GLU 601 Cb -0.10 -2.32 -0.18 0.00 0.26 0.00 0.00 34.13 31.79 3m8r s GLU 601 CO 0.35 -0.80 1.31 0.39 -0.54 0.00 0.00 175.26 175.97 3m8r n GLU 602 N -0.74 0.79 -0.89 4.30 4.71 -1.26 -0.53 120.64 127.02 3m8r n GLU 602 Ca 0.09 0.29 0.00 0.00 -0.01 0.00 0.00 57.16 57.52 3m8r n GLU 602 Cb 0.47 -1.89 0.00 0.00 -1.01 0.00 0.00 31.44 29.01 3m8r n GLU 602 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3m8r n GLY 603 N 2.43 0.72 3.51 0.62 0.00 -1.26 -5.03 105.19 106.18 3m8r n GLY 603 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 3m8r n GLY 603 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3m8r s TRP 604 N -2.75 2.02 0.05 1.61 0.52 0.31 -1.97 118.94 118.73 3m8r s TRP 604 Ca 0.00 -0.96 0.02 0.00 0.02 0.00 0.00 56.10 55.18 3m8r s TRP 604 Cb 0.00 -1.36 -0.03 0.00 -1.15 0.00 0.00 33.47 30.93 3m8r s TRP 604 CO 0.00 0.05 -0.08 -0.51 0.02 0.00 0.00 176.95 176.43 3m8r s LEU 605 N -3.56 2.29 0.22 2.99 1.43 -0.05 -4.61 118.68 117.39 3m8r s LEU 605 Ca 0.32 -0.62 -0.24 0.00 -1.03 0.00 0.00 54.13 52.57 3m8r s LEU 605 Cb 0.08 -0.18 -0.08 0.00 0.03 0.00 0.00 46.19 46.03 3m8r s LEU 605 CO 0.15 -0.23 0.80 -0.76 0.23 0.00 0.00 176.35 176.54 3m8r s LEU 606 N -1.79 4.47 -0.15 1.79 1.43 -0.17 -1.15 118.68 123.10 3m8r s LEU 606 Ca -0.06 1.62 0.01 0.00 -1.03 0.00 0.00 54.13 54.66 3m8r s LEU 606 Cb -0.08 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.62 3m8r s LEU 606 CO -0.00 0.10 -0.17 -0.69 0.23 0.00 0.00 176.35 175.82 3m8r s VAL 607 N -1.36 1.75 -0.19 -1.59 1.01 -0.15 -1.75 120.40 118.13 3m8r s VAL 607 Ca 0.41 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 3m8r s VAL 607 Cb -0.20 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 3m8r s VAL 607 CO 0.24 0.49 -0.09 0.00 0.00 0.00 0.00 175.10 175.74 3m8r s ALA 608 N 1.23 2.70 -0.08 5.51 0.00 -0.38 -0.36 121.76 130.38 3m8r s ALA 608 Ca 0.01 -1.08 0.04 0.00 0.00 0.00 0.00 51.96 50.94 3m8r s ALA 608 Cb -0.14 -1.49 -0.00 0.00 0.00 0.00 0.00 23.12 21.50 3m8r s ALA 608 CO -0.08 -0.19 -0.22 -0.51 0.00 0.00 0.00 175.76 174.76 3m8r s LEU 609 N 1.07 2.01 -0.04 0.00 1.02 -0.14 -1.36 118.68 121.23 3m8r s LEU 609 Ca 0.00 -0.49 -0.01 0.00 0.02 0.00 0.00 54.13 53.65 3m8r s LEU 609 Cb -0.15 -1.28 0.03 0.00 0.02 0.00 0.00 46.19 44.81 3m8r s LEU 609 CO -0.02 0.17 0.02 -0.62 0.02 0.00 0.00 176.35 175.93 3m8r s ASP 610 N 0.21 0.98 0.32 2.29 -1.08 -0.23 -0.42 116.67 118.73 3m8r s ASP 610 Ca -0.13 0.00 -0.29 0.00 -0.52 0.00 0.00 52.55 51.61 3m8r s ASP 610 Cb -0.16 -0.24 -0.11 0.00 -1.46 0.00 0.00 42.92 40.95 3m8r s ASP 610 CO 0.06 -0.18 1.49 -0.31 0.52 0.00 0.00 175.17 176.75 3m8r s TYR 611 N 1.71 2.79 -0.00 -5.34 2.02 -0.46 -1.36 117.35 116.71 3m8r s TYR 611 Ca -0.00 1.05 -0.30 0.00 -0.37 0.00 0.00 57.07 57.45 3m8r s TYR 611 Cb -0.13 -3.95 -0.03 0.00 -0.40 0.00 0.00 41.96 37.45 3m8r s TYR 611 CO -0.03 -2.96 1.03 0.45 -1.57 0.00 0.00 175.55 172.46 3m8r s SER 612 N 0.11 7.30 -1.44 2.29 0.15 -0.21 -4.29 113.70 117.62 3m8r s SER 612 Ca 0.57 1.71 -0.06 0.00 0.70 0.00 0.00 55.95 58.87 3m8r s SER 612 Cb -0.45 -2.57 0.06 0.00 -1.71 0.00 0.00 66.02 61.35 3m8r s SER 612 CO 0.53 -0.32 0.15 0.00 1.20 0.00 0.00 173.24 174.79 3m8r n GLN 613 N 4.05 -0.89 -0.09 5.44 6.02 -1.26 -4.72 117.38 125.92 3m8r n GLN 613 Ca 0.07 0.09 -0.14 0.00 -0.01 0.00 0.00 57.00 57.01 3m8r n GLN 613 Cb 0.50 -3.41 -0.04 0.00 1.02 0.00 0.00 30.24 28.31 3m8r n GLN 613 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.06 177.02 3m8r h ILE 614 N -1.25 1.30 0.00 5.09 2.10 -1.96 -2.31 117.51 120.49 3m8r h ILE 614 Ca -0.56 -1.54 -0.05 0.00 1.08 0.00 0.00 64.86 63.78 3m8r h ILE 614 Cb 1.22 1.61 -0.01 0.00 -1.09 0.00 0.00 36.82 38.55 3m8r h ILE 614 CO 0.67 0.50 -0.26 -0.33 -1.08 0.00 0.00 178.15 177.65 3m8r h GLU 615 N 0.50 0.00 -0.48 2.19 5.08 -1.92 -1.01 114.58 118.94 3m8r h GLU 615 Ca 0.04 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.27 3m8r h GLU 615 Cb 0.95 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 3m8r h GLU 615 CO 0.09 0.26 -0.19 -0.07 -1.00 0.00 0.00 179.01 178.09 3m8r h LEU 616 N 0.00 1.00 -0.63 1.33 3.38 -1.81 -0.42 115.31 118.16 3m8r h LEU 616 Ca -0.00 -0.39 -0.10 0.00 0.09 0.00 0.00 57.88 57.48 3m8r h LEU 616 Cb 0.56 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3m8r h LEU 616 CO 0.03 1.16 -0.03 0.03 0.09 0.00 0.00 178.44 179.72 3m8r h ARG 617 N 0.83 1.04 -0.73 1.13 3.08 -0.88 -1.83 114.38 117.02 3m8r h ARG 617 Ca 0.11 -0.34 -0.03 0.00 0.07 0.00 0.00 59.98 59.79 3m8r h ARG 617 Cb 0.76 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.69 3m8r h ARG 617 CO 0.06 1.04 0.33 0.28 -1.07 0.00 0.00 179.97 180.61 3m8r h VAL 618 N 0.94 1.24 -0.84 2.04 2.07 -1.08 -2.20 116.25 118.43 3m8r h VAL 618 Ca 0.16 -0.72 0.04 0.00 0.82 0.00 0.00 66.70 67.01 3m8r h VAL 618 Cb 0.59 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 3m8r h VAL 618 CO 0.04 0.30 0.53 0.25 0.02 0.00 0.00 177.57 178.70 3m8r h LEU 619 N 1.04 0.86 -0.74 2.57 5.85 -0.80 -1.27 115.31 122.82 3m8r h LEU 619 Ca 0.25 0.00 0.04 0.00 0.84 0.00 0.00 57.88 59.02 3m8r h LEU 619 Cb 0.16 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 3m8r h LEU 619 CO -0.03 0.58 0.45 0.00 -0.34 0.00 0.00 178.44 179.10 3m8r h ALA 620 N 1.37 0.98 -0.17 1.25 0.00 -0.73 0.22 119.26 122.18 3m8r h ALA 620 Ca 0.35 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 55.09 3m8r h ALA 620 Cb 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3m8r h ALA 620 CO -0.14 0.20 -0.51 1.25 0.00 0.00 0.00 179.25 180.06 3m8r h HIS 621 N 0.86 0.83 -0.33 0.00 -0.00 -1.06 0.44 115.15 115.89 3m8r h HIS 621 Ca 0.31 -0.33 -0.14 0.00 -0.00 0.00 0.00 60.37 60.20 3m8r h HIS 621 Cb 0.09 -0.14 -0.00 0.00 -0.00 0.00 0.00 27.41 27.35 3m8r h HIS 621 CO -0.05 1.12 -0.36 -0.07 -0.00 0.00 0.00 177.93 178.58 3m8r h LEU 622 N 0.31 0.89 0.19 0.26 3.38 -1.03 -3.32 115.31 115.99 3m8r h LEU 622 Ca -0.02 -0.48 -0.32 0.00 0.09 0.00 0.00 57.88 57.16 3m8r h LEU 622 Cb 1.13 -0.25 0.02 0.00 0.09 0.00 0.00 40.66 41.65 3m8r h LEU 622 CO 0.11 1.18 -1.51 0.77 0.09 0.00 0.00 178.44 179.09 3m8r h SER 623 N 0.61 0.63 0.00 -0.43 4.64 -1.02 -3.49 113.55 114.49 3m8r h SER 623 Ca 0.05 -0.92 0.00 0.00 -0.47 0.00 0.00 61.79 60.45 3m8r h SER 623 Cb 0.94 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3m8r h SER 623 CO 0.09 1.69 0.00 0.61 -0.87 0.00 0.00 176.83 178.35 3m8r n GLY 624 N 1.78 0.48 3.71 -0.77 0.00 0.15 -4.88 105.19 105.66 3m8r n GLY 624 Ca -0.21 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 3m8r n GLY 624 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3m8r s ASP 625 N -2.79 6.54 0.06 1.61 2.15 -1.25 -4.91 116.67 118.08 3m8r s ASP 625 Ca 0.00 2.64 -0.18 0.00 0.43 0.00 0.00 52.55 55.44 3m8r s ASP 625 Cb 0.00 -2.58 -0.13 0.00 -0.30 0.00 0.00 42.92 39.91 3m8r s ASP 625 CO 0.00 -0.89 1.36 -0.33 -0.17 0.00 0.00 175.17 175.14 3m8r h GLU 626 N 7.45 0.50 -0.81 4.34 3.07 -1.95 -2.43 114.58 124.75 3m8r h GLU 626 Ca -0.43 -0.28 0.00 0.00 -0.50 0.00 0.00 59.36 58.15 3m8r h GLU 626 Cb 1.20 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 29.09 3m8r h GLU 626 CO 0.93 0.87 0.51 -0.91 -1.40 0.00 0.00 179.01 179.01 3m8r h ASN 627 N 0.17 0.95 -0.38 1.42 4.21 -1.91 -0.71 115.58 119.33 3m8r h ASN 627 Ca 0.03 -0.05 -0.15 0.00 1.21 0.00 0.00 56.30 57.34 3m8r h ASN 627 Cb 0.80 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.75 3m8r h ASN 627 CO 0.06 0.71 -0.36 0.25 -1.29 0.00 0.00 177.43 176.81 3m8r h LEU 628 N 1.10 0.97 -0.70 1.61 5.85 -1.86 -1.67 115.31 120.62 3m8r h LEU 628 Ca 0.29 -0.46 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 3m8r h LEU 628 Cb -0.08 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.64 3m8r h LEU 628 CO -0.06 1.23 0.42 0.40 -0.34 0.00 0.00 178.44 180.09 3m8r h ILE 629 N 0.72 1.20 -0.61 4.05 2.04 -1.24 -2.60 117.51 121.08 3m8r h ILE 629 Ca 0.06 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 3m8r h ILE 629 Cb 0.95 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 3m8r h ILE 629 CO 0.09 0.20 0.30 -0.09 0.00 0.00 0.00 178.15 178.65 3m8r h ARG 630 N 0.95 0.86 -0.63 2.37 2.43 -0.72 -1.82 114.38 117.81 3m8r h ARG 630 Ca 0.25 -0.10 0.08 0.00 -0.81 0.00 0.00 59.98 59.39 3m8r h ARG 630 Cb -0.04 -0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 29.29 3m8r h ARG 630 CO -0.05 0.66 0.31 0.28 -1.51 0.00 0.00 179.97 179.66 3m8r h VAL 631 N 0.86 0.88 -0.00 0.20 2.07 -0.92 -1.04 116.25 118.30 3m8r h VAL 631 Ca 0.21 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.55 3m8r h VAL 631 Cb 0.08 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 3m8r h VAL 631 CO -0.03 0.10 -0.17 0.49 0.02 0.00 0.00 177.57 177.98 3m8r n PHE 632 N -4.88 0.00 0.88 1.57 3.72 -0.75 -1.32 117.46 116.68 3m8r n PHE 632 Ca 0.08 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.59 3m8r n PHE 632 Cb 0.22 -0.41 -0.10 0.00 -0.94 0.00 0.00 39.48 38.25 3m8r n PHE 632 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3m8r n GLN 633 N -1.49 0.08 0.00 -1.08 6.02 -0.83 -3.89 117.38 116.19 3m8r n GLN 633 Ca 0.07 -0.02 0.10 0.00 -0.01 0.00 0.00 57.00 57.14 3m8r n GLN 633 Cb 0.34 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 30.02 3m8r n GLN 633 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3m8r n GLU 634 N -1.59 0.00 -1.66 -1.09 1.02 -0.45 -4.98 120.64 111.88 3m8r n GLU 634 Ca 0.03 -0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.16 3m8r n GLU 634 Cb 0.36 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.28 3m8r n GLU 634 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3m8r n GLY 635 N 1.50 0.37 3.80 0.62 0.00 -1.01 -5.04 105.19 105.43 3m8r n GLY 635 Ca 0.04 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.79 3m8r n GLY 635 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m8r s ARG 636 N -3.33 3.49 -0.32 1.61 0.52 -0.43 -5.03 118.95 115.45 3m8r s ARG 636 Ca 0.00 1.30 0.03 0.00 -0.52 0.00 0.00 55.73 56.54 3m8r s ARG 636 Cb 0.00 -2.05 0.09 0.00 0.52 0.00 0.00 34.95 33.51 3m8r s ARG 636 CO 0.00 -0.68 0.02 0.34 0.02 0.00 0.00 175.30 174.99 3m8r s ASP 637 N -2.41 4.73 0.34 0.23 -1.08 -1.26 -4.73 116.67 112.49 3m8r s ASP 637 Ca 0.66 -1.90 0.06 0.00 -0.52 0.00 0.00 52.55 50.84 3m8r s ASP 637 Cb -0.17 -1.63 0.62 0.00 -1.46 0.00 0.00 42.92 40.29 3m8r s ASP 637 CO 0.30 -0.34 1.86 0.40 0.52 0.00 0.00 175.17 177.91 3m8r h ILE 638 N 6.63 1.20 -0.48 4.11 1.08 -1.96 -1.51 117.51 126.58 3m8r h ILE 638 Ca -0.10 -0.88 -0.08 0.00 -0.39 0.00 0.00 64.86 63.42 3m8r h ILE 638 Cb 1.03 1.11 -0.02 0.00 -3.07 0.00 0.00 36.82 35.87 3m8r h ILE 638 CO 0.52 0.29 -0.01 0.45 -0.69 0.00 0.00 178.15 178.70 3m8r h HIS 639 N 0.40 0.86 -0.02 1.37 3.86 -1.94 -1.89 115.15 117.79 3m8r h HIS 639 Ca 0.08 -0.12 -0.18 0.00 -1.16 0.00 0.00 60.37 58.98 3m8r h HIS 639 Cb 0.41 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 3m8r h HIS 639 CO 0.01 0.80 -0.79 1.15 0.86 0.00 0.00 177.93 179.96 3m8r h THR 640 N 0.75 1.45 -0.32 2.45 2.02 -1.76 -2.44 112.91 115.06 3m8r h THR 640 Ca 0.14 -2.40 -0.14 0.00 0.77 0.00 0.00 66.41 64.78 3m8r h THR 640 Cb 0.47 2.30 -0.01 0.00 -1.74 0.00 0.00 68.15 69.18 3m8r h THR 640 CO 0.02 0.70 -0.37 -0.33 0.37 0.00 0.00 175.52 175.92 3m8r h GLU 641 N 0.14 0.75 -0.15 6.66 5.08 -1.06 -1.78 114.58 124.22 3m8r h GLU 641 Ca -0.03 -0.37 -0.15 0.00 -1.00 0.00 0.00 59.36 57.80 3m8r h GLU 641 Cb 1.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 3m8r h GLU 641 CO 0.12 0.99 -0.56 1.15 -1.00 0.00 0.00 179.01 179.72 3m8r h THR 642 N 0.62 1.34 0.33 1.13 2.02 -1.36 -2.91 112.91 114.07 3m8r h THR 642 Ca 0.06 -1.83 -0.02 0.00 0.77 0.00 0.00 66.41 65.39 3m8r h THR 642 Cb 0.91 1.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 3m8r h THR 642 CO 0.08 0.56 -0.16 0.00 0.37 0.00 0.00 175.52 176.37 3m8r h ALA 643 N 1.05 -0.44 -0.17 6.16 0.00 -1.19 -0.17 119.26 124.50 3m8r h ALA 643 Ca 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3m8r h ALA 643 Cb 1.08 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3m8r h ALA 643 CO 0.10 -0.69 0.12 0.66 0.00 0.00 0.00 179.25 179.43 3m8r h SER 644 N -0.55 0.15 0.01 0.00 4.64 -1.38 -1.59 113.55 114.84 3m8r h SER 644 Ca -0.05 -0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.02 3m8r h SER 644 Cb 0.41 -0.04 0.02 0.00 -0.31 0.00 0.00 62.40 62.48 3m8r h SER 644 CO 0.07 0.11 -0.98 -0.25 -0.87 0.00 0.00 176.83 174.92 3m8r h TRP 645 N 0.18 1.00 0.31 4.77 7.01 -1.30 -0.66 115.95 127.27 3m8r h TRP 645 Ca 0.07 -0.52 -0.02 0.00 2.11 0.00 0.00 58.89 60.53 3m8r h TRP 645 Cb 0.05 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 26.99 3m8r h TRP 645 CO -0.00 1.35 -0.15 0.52 -2.79 0.00 0.00 178.44 177.37 3m8r h MET 646 N 0.41 -0.41 -0.02 2.65 2.86 -0.12 -3.05 114.93 117.26 3m8r h MET 646 Ca -0.11 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 3m8r h MET 646 Cb 1.62 0.09 0.00 0.00 0.06 0.00 0.00 31.60 33.37 3m8r h MET 646 CO 0.19 -0.13 0.00 1.19 1.06 0.00 0.00 176.91 179.22 3m8r n PHE 647 N -5.17 0.01 -3.12 -0.22 3.01 -0.69 -4.92 117.46 106.35 3m8r n PHE 647 Ca -0.10 -0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.13 3m8r n PHE 647 Cb 0.25 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.75 3m8r n PHE 647 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3m8r n GLY 648 N 1.13 -0.52 3.63 1.37 0.00 -0.56 -4.99 105.19 105.25 3m8r n GLY 648 Ca 0.20 0.14 -0.24 0.00 0.00 0.00 0.00 46.02 46.12 3m8r n GLY 648 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3m8r s VAL 649 N -3.18 2.96 0.94 1.61 -7.23 -0.36 -5.01 120.40 110.12 3m8r s VAL 649 Ca 0.35 -1.97 -0.10 0.00 -1.81 0.00 0.00 61.98 58.44 3m8r s VAL 649 Cb -0.16 -2.77 0.16 0.00 0.56 0.00 0.00 36.38 34.17 3m8r s VAL 649 CO 0.43 -0.29 1.13 -2.84 -0.31 0.00 0.00 175.10 173.22 3m8r s PRO 650 N -3.69 0.84 0.25 4.82 0.02 -1.26 -4.49 135.00 131.48 3m8r s PRO 650 Ca 0.33 1.47 0.01 0.00 0.02 0.00 0.00 61.00 62.83 3m8r s PRO 650 Cb -0.03 -1.71 0.29 0.00 0.02 0.00 0.00 34.50 33.07 3m8r s PRO 650 CO 0.19 -2.73 1.63 0.00 -0.33 0.00 0.00 177.00 175.76 3m8r h ARG 651 N -1.94 0.47 0.00 5.54 -0.00 -1.92 -1.39 114.38 115.14 3m8r h ARG 651 Ca -0.45 -0.23 0.00 0.00 -0.50 0.00 0.00 59.98 58.80 3m8r h ARG 651 Cb 1.27 -0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.24 3m8r h ARG 651 CO 0.43 0.79 0.00 -0.85 0.00 0.00 0.00 179.97 180.34 3m8r n GLU 652 N -4.03 0.00 0.00 0.04 0.00 -1.26 -2.18 120.64 113.21 3m8r n GLU 652 Ca -0.01 0.28 0.10 0.00 0.00 0.00 0.00 57.16 57.52 3m8r n GLU 652 Cb 0.50 -1.51 -0.08 0.00 0.00 0.00 0.00 31.44 30.35 3m8r n GLU 652 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3m8r n ALA 653 N -1.50 4.43 -2.05 -1.84 0.00 -0.55 -4.88 120.51 114.12 3m8r n ALA 653 Ca 0.03 -0.56 -0.41 0.00 0.00 0.00 0.00 53.44 52.50 3m8r n ALA 653 Cb 0.16 -0.81 -0.03 0.00 0.00 0.00 0.00 19.45 18.77 3m8r n ALA 653 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3m8r s VAL 654 N -3.05 3.48 0.77 0.00 1.01 -0.93 -4.94 120.40 116.74 3m8r s VAL 654 Ca 0.07 0.43 -0.09 0.00 0.00 0.00 0.00 61.98 62.39 3m8r s VAL 654 Cb 0.16 -3.81 0.09 0.00 0.00 0.00 0.00 36.38 32.82 3m8r s VAL 654 CO 0.85 -0.63 1.10 1.51 0.00 0.00 0.00 175.10 177.93 3m8r s ASP 655 N 6.62 4.44 0.15 3.32 1.47 -1.26 -4.85 116.67 126.56 3m8r s ASP 655 Ca 0.73 0.44 -0.18 0.00 1.18 0.00 0.00 52.55 54.72 3m8r s ASP 655 Cb -0.18 -0.94 0.06 0.00 -0.34 0.00 0.00 42.92 41.52 3m8r s ASP 655 CO 0.29 -1.87 1.68 -0.65 0.68 0.00 0.00 175.17 175.30 3m8r h PRO 656 N -0.86 0.02 -0.04 2.11 0.11 -2.00 -1.82 132.00 129.52 3m8r h PRO 656 Ca -0.44 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.68 3m8r h PRO 656 Cb 1.30 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 3m8r h PRO 656 CO 0.57 0.01 0.03 1.25 -0.21 0.00 0.00 178.00 179.65 3m8r h LEU 657 N 0.02 0.00 0.04 2.35 6.46 -1.94 -1.48 115.31 120.75 3m8r h LEU 657 Ca 0.16 0.00 -0.19 0.00 -0.12 0.00 0.00 57.88 57.74 3m8r h LEU 657 Cb 0.24 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 40.19 3m8r h LEU 657 CO -0.33 0.00 -0.75 0.24 -0.62 0.00 0.00 178.44 176.98 3m8r h MET 658 N 0.00 0.44 -0.60 1.25 2.86 -1.73 -3.17 114.93 113.98 3m8r h MET 658 Ca 0.02 -0.52 -0.09 0.00 -2.06 0.00 0.00 59.70 57.05 3m8r h MET 658 Cb 0.08 0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 3m8r h MET 658 CO -0.00 1.18 0.03 -0.09 1.06 0.00 0.00 176.91 179.09 3m8r h ARG 659 N -0.07 1.03 -0.56 1.72 2.43 -0.52 -1.35 114.38 117.06 3m8r h ARG 659 Ca -0.10 -0.30 -0.07 0.00 -0.81 0.00 0.00 59.98 58.69 3m8r h ARG 659 Cb 1.47 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.89 3m8r h ARG 659 CO 0.14 0.99 0.05 -0.09 -1.51 0.00 0.00 179.97 179.56 3m8r h ARG 660 N 0.95 0.92 -0.91 0.20 2.43 -1.50 -1.56 114.38 114.91 3m8r h ARG 660 Ca 0.18 -0.24 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3m8r h ARG 660 Cb 0.51 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.90 3m8r h ARG 660 CO 0.02 0.88 0.60 0.00 -1.51 0.00 0.00 179.97 179.97 3m8r h ALA 661 N 1.19 1.15 0.00 2.80 0.00 -1.41 -2.24 119.26 120.76 3m8r h ALA 661 Ca 0.17 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3m8r h ALA 661 Cb 0.43 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3m8r h ALA 661 CO 0.02 0.55 -0.18 0.00 0.00 0.00 0.00 179.25 179.64 3m8r h ALA 662 N 1.33 1.11 -0.23 0.00 0.00 -0.49 -3.01 119.26 117.98 3m8r h ALA 662 Ca 0.33 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 3m8r h ALA 662 Cb -0.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3m8r h ALA 662 CO -0.07 0.23 -0.45 0.87 0.00 0.00 0.00 179.25 179.83 3m8r h LYS 663 N 0.00 0.71 0.00 0.00 1.57 -0.68 -1.60 116.57 116.56 3m8r h LYS 663 Ca -0.00 -0.46 -0.04 0.00 -1.87 0.00 0.00 60.65 58.28 3m8r h LYS 663 Cb 0.58 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 3m8r h LYS 663 CO 0.02 1.08 -0.19 1.79 -0.57 0.00 0.00 179.45 181.58 3m8r h THR 664 N 0.43 0.94 -0.06 -0.16 1.35 -1.44 -1.91 112.91 112.06 3m8r h THR 664 Ca 0.01 -0.69 -0.17 0.00 -0.55 0.00 0.00 66.41 65.01 3m8r h THR 664 Cb 1.05 1.39 0.01 0.00 -1.73 0.00 0.00 68.15 68.88 3m8r h THR 664 CO 0.10 0.18 -0.62 0.40 -0.25 0.00 0.00 175.52 175.33 3m8r h ILE 665 N 0.00 1.37 -0.03 6.82 1.08 -1.48 -1.42 117.51 123.84 3m8r h ILE 665 Ca -0.00 -1.97 -0.00 0.00 -0.39 0.00 0.00 64.86 62.49 3m8r h ILE 665 Cb 0.38 2.34 -0.00 0.00 -3.07 0.00 0.00 36.82 36.46 3m8r h ILE 665 CO 0.02 0.59 0.01 0.78 -0.69 0.00 0.00 178.15 178.86 3m8r h ASN 666 N 0.11 0.05 0.86 1.72 2.35 -0.84 -1.71 115.58 118.12 3m8r h ASN 666 Ca -0.06 -0.23 -0.15 0.00 -0.55 0.00 0.00 56.30 55.31 3m8r h ASN 666 Cb 1.29 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.62 3m8r h ASN 666 CO 0.13 0.27 -0.71 -0.26 -1.65 0.00 0.00 177.43 175.20 3m8r h PHE 667 N -0.17 0.00 0.45 1.19 0.04 -1.49 -2.38 116.94 114.57 3m8r h PHE 667 Ca 0.01 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 3m8r h PHE 667 Cb 0.24 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 3m8r h PHE 667 CO 0.00 0.71 -0.32 0.78 -0.60 0.00 0.00 178.31 178.88 3m8r h GLY 668 N 2.43 -0.82 1.00 -1.45 0.00 -1.15 -2.11 103.07 100.98 3m8r h GLY 668 Ca -0.01 0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.66 3m8r h GLY 668 CO 0.09 -0.30 0.32 -2.08 0.00 0.00 0.00 176.54 174.57 3m8r h VAL 669 N -0.76 1.22 -0.33 4.60 2.07 -1.34 -0.85 116.25 120.87 3m8r h VAL 669 Ca -0.05 -0.62 0.04 0.00 0.82 0.00 0.00 66.70 66.89 3m8r h VAL 669 Cb 0.64 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 3m8r h VAL 669 CO 0.02 0.26 0.08 0.25 0.02 0.00 0.00 177.57 178.19 3m8r h LEU 670 N 0.92 0.04 -2.25 2.57 5.85 -1.30 -2.51 115.31 118.63 3m8r h LEU 670 Ca 0.23 0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.00 3m8r h LEU 670 Cb 0.11 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.20 3m8r h LEU 670 CO -0.03 0.06 0.00 -1.22 -0.34 0.00 0.00 178.44 176.91 3m8r n TYR 671 N -5.07 1.05 0.00 1.25 4.01 -0.80 -4.86 117.16 112.74 3m8r n TYR 671 Ca 0.01 -0.38 0.00 0.00 -0.16 0.00 0.00 57.90 57.36 3m8r n TYR 671 Cb 0.14 -0.26 0.00 0.00 -0.31 0.00 0.00 39.34 38.91 3m8r n TYR 671 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3m8r n GLY 672 N 0.54 1.74 3.74 2.72 0.00 -0.94 -4.92 105.19 108.05 3m8r n GLY 672 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 3m8r n GLY 672 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3m8r s MET 673 N -0.32 2.66 0.33 1.61 0.00 -0.34 -5.00 119.30 118.25 3m8r s MET 673 Ca 0.00 2.05 -0.07 0.00 0.00 0.00 0.00 55.69 57.67 3m8r s MET 673 Cb 0.00 -1.89 -0.06 0.00 0.00 0.00 0.00 34.83 32.89 3m8r s MET 673 CO 0.00 -1.51 0.63 -1.54 0.00 0.00 0.00 175.02 172.60 3m8r s SER 674 N -1.39 6.46 0.20 1.11 1.04 -1.26 -4.85 113.70 115.02 3m8r s SER 674 Ca 0.81 0.85 -0.10 0.00 0.48 0.00 0.00 55.95 57.98 3m8r s SER 674 Cb -0.37 -2.20 0.19 0.00 0.10 0.00 0.00 66.02 63.74 3m8r s SER 674 CO 0.39 -0.27 1.83 0.00 0.98 0.00 0.00 173.24 176.17 3m8r h ALA 675 N 1.50 0.87 0.02 5.32 0.00 -1.94 -2.22 119.26 122.81 3m8r h ALA 675 Ca -0.48 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 3m8r h ALA 675 Cb 1.19 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3m8r h ALA 675 CO 0.65 0.13 -0.01 1.25 0.00 0.00 0.00 179.25 181.27 3m8r h HIS 676 N 0.76 -0.02 -0.69 0.00 -0.00 -1.94 -0.93 115.15 112.33 3m8r h HIS 676 Ca 0.27 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.64 3m8r h HIS 676 Cb 0.07 0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 27.45 3m8r h HIS 676 CO -0.06 0.03 0.43 -0.09 -0.00 0.00 0.00 177.93 178.25 3m8r h ARG 677 N -0.07 0.92 -0.21 5.26 2.43 -1.93 -2.33 114.38 118.45 3m8r h ARG 677 Ca -0.00 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.02 3m8r h ARG 677 Cb 0.06 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.41 3m8r h ARG 677 CO 0.00 0.63 -0.18 1.25 -1.51 0.00 0.00 179.97 180.16 3m8r h LEU 678 N 0.95 0.52 -1.98 3.80 5.85 -1.05 -2.32 115.31 121.08 3m8r h LEU 678 Ca 0.25 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 3m8r h LEU 678 Cb -0.07 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 40.82 3m8r h LEU 678 CO -0.05 0.88 -0.05 0.77 -0.34 0.00 0.00 178.44 179.65 3m8r h SER 679 N 0.17 0.00 -0.08 1.25 4.64 -0.95 -1.92 113.55 116.66 3m8r h SER 679 Ca 0.04 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.26 3m8r h SER 679 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 3m8r h SER 679 CO 0.05 0.05 -0.33 -0.61 -0.87 0.00 0.00 176.83 175.12 3m8r h GLN 680 N 0.00 0.36 0.00 4.77 5.75 -1.18 -1.57 115.11 123.24 3m8r h GLN 680 Ca -0.00 -0.28 0.00 0.00 -0.15 0.00 0.00 58.65 58.22 3m8r h GLN 680 Cb 0.09 0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.69 3m8r h GLN 680 CO 0.01 0.92 0.00 0.39 -2.65 0.00 0.00 178.83 177.49 3m8r n GLU 681 N -4.41 0.12 0.00 1.69 1.02 -0.89 -2.64 120.64 115.53 3m8r n GLU 681 Ca -0.08 0.20 0.07 0.00 -0.02 0.00 0.00 57.16 57.32 3m8r n GLU 681 Cb 0.50 -1.67 0.05 0.00 -0.02 0.00 0.00 31.44 30.30 3m8r n GLU 681 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3m8r n LEU 682 N -1.90 2.06 -3.08 -4.62 4.77 -0.76 -4.98 117.00 108.51 3m8r n LEU 682 Ca 0.05 -0.98 -0.21 0.00 -0.03 0.00 0.00 56.01 54.84 3m8r n LEU 682 Cb 0.32 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.42 3m8r n LEU 682 CO 0.24 0.38 -0.06 0.00 -1.33 0.00 0.00 177.39 176.63 3m8r n ALA 683 N 0.67 -0.98 -2.53 -1.18 0.00 -0.75 -4.97 120.51 110.78 3m8r n ALA 683 Ca 0.08 0.14 -0.24 0.00 0.00 0.00 0.00 53.44 53.42 3m8r n ALA 683 Cb 0.33 -2.82 -0.09 0.00 0.00 0.00 0.00 19.45 16.87 3m8r n ALA 683 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3m8r s ILE 684 N -2.94 2.83 0.54 0.00 -4.36 -0.67 -5.05 121.20 111.56 3m8r s ILE 684 Ca 0.29 -2.17 -0.21 0.00 -0.26 0.00 0.00 60.65 58.30 3m8r s ILE 684 Cb -0.15 -2.48 -0.06 0.00 1.25 0.00 0.00 42.46 41.03 3m8r s ILE 684 CO 0.36 -0.35 1.13 -2.65 0.24 0.00 0.00 174.94 173.66 3m8r n PRO 685 N -0.59 1.30 -0.34 0.37 -0.02 -1.26 -4.49 135.00 129.96 3m8r n PRO 685 Ca -0.06 0.48 0.15 0.00 -2.02 0.00 0.00 63.50 62.05 3m8r n PRO 685 Cb 0.59 -2.30 0.36 0.00 -0.02 0.00 0.00 33.50 32.13 3m8r n PRO 685 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3m8r h TYR 686 N 1.06 0.99 -0.50 6.00 5.03 -1.91 0.61 116.97 128.25 3m8r h TYR 686 Ca -0.49 0.03 -0.05 0.00 2.58 0.00 0.00 58.73 60.80 3m8r h TYR 686 Cb 1.34 -0.30 -0.02 0.00 1.55 0.00 0.00 36.73 39.30 3m8r h TYR 686 CO 0.42 0.20 0.09 0.93 -1.32 0.00 0.00 178.16 178.48 3m8r h GLU 687 N 0.69 0.78 -0.39 1.82 3.07 -1.95 -0.97 114.58 117.63 3m8r h GLU 687 Ca 0.58 -0.17 -0.14 0.00 -0.50 0.00 0.00 59.36 59.13 3m8r h GLU 687 Cb 1.01 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.79 3m8r h GLU 687 CO -0.37 0.73 -0.33 0.93 -1.40 0.00 0.00 179.01 178.57 3m8r h GLU 688 N 0.75 0.88 -0.46 2.33 5.08 -1.24 -1.93 114.58 119.99 3m8r h GLU 688 Ca 0.16 -0.43 -0.09 0.00 -1.00 0.00 0.00 59.36 58.00 3m8r h GLU 688 Cb 0.32 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3m8r h GLU 688 CO 0.00 1.07 -0.07 0.00 -1.00 0.00 0.00 179.01 179.02 3m8r h ALA 689 N 0.88 0.63 -0.70 3.43 0.00 -1.13 -1.91 119.26 120.46 3m8r h ALA 689 Ca 0.07 -0.32 0.08 0.00 0.00 0.00 0.00 54.91 54.75 3m8r h ALA 689 Cb 0.90 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 3m8r h ALA 689 CO 0.08 0.49 0.36 0.37 0.00 0.00 0.00 179.25 180.55 3m8r h GLN 690 N 0.70 0.62 -0.43 0.00 4.15 -1.09 -2.46 115.11 116.59 3m8r h GLN 690 Ca 0.12 -0.04 -0.12 0.00 0.77 0.00 0.00 58.65 59.38 3m8r h GLN 690 Cb 0.60 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.14 3m8r h GLN 690 CO 0.04 0.41 -0.21 0.00 -1.93 0.00 0.00 178.83 177.14 3m8r h ALA 691 N 1.40 0.61 -0.74 3.38 0.00 -1.12 -2.77 119.26 120.02 3m8r h ALA 691 Ca 0.33 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3m8r h ALA 691 Cb 0.30 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3m8r h ALA 691 CO -0.24 0.58 0.46 0.35 0.00 0.00 0.00 179.25 180.41 3m8r h PHE 692 N 0.74 0.96 0.00 0.00 3.57 -0.98 -1.87 116.94 119.37 3m8r h PHE 692 Ca 0.10 0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.42 3m8r h PHE 692 Cb 0.78 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 3m8r h PHE 692 CO 0.06 0.63 -0.86 0.82 -2.23 0.00 0.00 178.31 176.72 3m8r h ILE 693 N 1.02 1.58 -0.09 1.41 2.04 -1.31 -1.47 117.51 120.69 3m8r h ILE 693 Ca 0.27 -2.85 -0.22 0.00 1.00 0.00 0.00 64.86 63.06 3m8r h ILE 693 Cb -0.07 2.56 0.01 0.00 -0.74 0.00 0.00 36.82 38.58 3m8r h ILE 693 CO -0.05 0.82 -0.82 1.05 0.00 0.00 0.00 178.15 179.15 3m8r h GLU 694 N 0.02 0.71 -0.86 2.37 4.11 -1.24 -3.14 114.58 116.55 3m8r h GLU 694 Ca -0.02 -0.64 -0.01 0.00 0.07 0.00 0.00 59.36 58.76 3m8r h GLU 694 Cb 1.51 0.16 -0.04 0.00 0.50 0.00 0.00 28.75 30.88 3m8r h GLU 694 CO 0.12 1.25 0.50 0.00 0.07 0.00 0.00 179.01 180.94 3m8r h ARG 695 N 0.39 1.19 -0.47 1.06 3.08 -1.33 -1.99 114.38 116.31 3m8r h ARG 695 Ca -0.08 -0.12 0.08 0.00 0.07 0.00 0.00 59.98 59.93 3m8r h ARG 695 Cb 1.46 -0.24 -0.07 0.00 0.08 0.00 0.00 29.97 31.20 3m8r h ARG 695 CO 0.17 0.85 0.06 -0.92 -1.07 0.00 0.00 179.97 179.06 3m8r h TYR 696 N 1.19 0.09 0.04 3.04 5.03 -1.24 -1.74 116.97 123.38 3m8r h TYR 696 Ca 0.31 0.03 -0.29 0.00 2.58 0.00 0.00 58.73 61.36 3m8r h TYR 696 Cb -0.01 0.03 -0.03 0.00 1.55 0.00 0.00 36.73 38.27 3m8r h TYR 696 CO 0.00 -0.03 -1.58 0.74 -1.32 0.00 0.00 178.16 175.97 3m8r h PHE 697 N 0.19 0.14 0.00 -3.82 0.04 -1.49 -3.27 116.94 108.72 3m8r h PHE 697 Ca 0.23 -0.10 -0.05 0.00 2.80 0.00 0.00 57.97 60.85 3m8r h PHE 697 Cb 0.32 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.46 3m8r h PHE 697 CO -0.24 1.16 -0.24 -0.56 -0.60 0.00 0.00 178.31 177.82 3m8r h GLN 698 N 0.02 0.00 -0.40 1.51 3.07 -1.28 -1.79 115.11 116.25 3m8r h GLN 698 Ca -0.24 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.49 3m8r h GLN 698 Cb 1.97 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 29.51 3m8r h GLN 698 CO 0.11 0.24 0.20 0.77 0.09 0.00 0.00 178.83 180.24 3m8r h SER 699 N 0.00 0.48 -2.62 0.06 0.02 -1.37 -3.31 113.55 106.81 3m8r h SER 699 Ca -0.00 -0.03 -0.60 0.00 -0.84 0.00 0.00 61.79 60.31 3m8r h SER 699 Cb 0.45 -0.12 -0.41 0.00 0.14 0.00 0.00 62.40 62.46 3m8r h SER 699 CO 0.03 0.41 -0.74 0.49 -1.14 0.00 0.00 176.83 175.88 3m8r n PHE 700 N -4.42 1.86 -0.24 3.45 3.72 -0.68 -4.78 117.46 116.37 3m8r n PHE 700 Ca 0.03 -3.95 0.05 0.00 -0.05 0.00 0.00 57.45 53.53 3m8r n PHE 700 Cb 0.11 -0.35 0.17 0.00 -0.94 0.00 0.00 39.48 38.47 3m8r n PHE 700 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3m8r h PRO 701 N 5.08 0.22 0.00 -1.08 0.11 -1.65 -2.50 132.00 132.19 3m8r h PRO 701 Ca 0.18 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3m8r h PRO 701 Cb 0.79 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.85 3m8r h PRO 701 CO 0.62 0.14 0.00 1.63 -0.21 0.00 0.00 178.00 180.19 3m8r n LYS 702 N -5.20 0.19 0.21 1.05 4.76 -1.26 -3.53 118.16 114.38 3m8r n LYS 702 Ca 0.14 0.49 -0.14 0.00 -2.87 0.00 0.00 58.31 55.92 3m8r n LYS 702 Cb 0.45 -1.92 -0.08 0.00 -1.84 0.00 0.00 35.03 31.65 3m8r n LYS 702 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3m8r h VAL 703 N 0.00 0.57 -0.80 -0.18 2.07 -1.78 -1.72 116.25 114.41 3m8r h VAL 703 Ca 0.00 -0.44 0.13 0.00 0.82 0.00 0.00 66.70 67.21 3m8r h VAL 703 Cb 0.28 0.77 -0.09 0.00 -1.52 0.00 0.00 31.29 30.74 3m8r h VAL 703 CO 0.00 0.08 0.40 0.03 0.02 0.00 0.00 177.57 178.10 3m8r h ARG 704 N -0.80 0.60 -0.42 1.57 2.47 -1.77 -0.54 114.38 115.49 3m8r h ARG 704 Ca -0.05 -0.04 0.07 0.00 -1.26 0.00 0.00 59.98 58.70 3m8r h ARG 704 Cb 0.53 -0.13 -0.06 0.00 -1.65 0.00 0.00 29.97 28.66 3m8r h ARG 704 CO 0.09 0.40 0.08 0.00 0.56 0.00 0.00 179.97 181.10 3m8r h ALA 705 N 1.52 0.46 -0.55 0.04 0.00 -1.65 -1.10 119.26 117.98 3m8r h ALA 705 Ca 0.42 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.35 3m8r h ALA 705 Cb 0.55 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3m8r h ALA 705 CO -0.33 -0.32 0.08 2.35 0.00 0.00 0.00 179.25 181.03 3m8r h TRP 706 N 0.21 0.97 -0.43 0.00 7.01 -0.27 -2.10 115.95 121.34 3m8r h TRP 706 Ca 0.21 -0.14 0.05 0.00 2.11 0.00 0.00 58.89 61.12 3m8r h TRP 706 Cb 0.26 -0.26 -0.05 0.00 -2.10 0.00 0.00 29.16 27.01 3m8r h TRP 706 CO -0.21 0.86 0.16 0.82 -2.79 0.00 0.00 178.44 177.29 3m8r h ILE 707 N 0.80 0.88 -0.69 2.65 2.04 -0.65 -0.01 117.51 122.53 3m8r h ILE 707 Ca 0.17 -0.12 -0.05 0.00 1.00 0.00 0.00 64.86 65.85 3m8r h ILE 707 Cb 0.42 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 3m8r h ILE 707 CO 0.01 0.06 0.22 -0.33 0.00 0.00 0.00 178.15 178.11 3m8r h GLU 708 N 0.34 1.06 0.00 2.37 5.08 -0.96 -2.09 114.58 120.38 3m8r h GLU 708 Ca 0.20 -0.22 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 3m8r h GLU 708 Cb 0.17 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3m8r h GLU 708 CO -0.19 0.90 -0.55 1.57 -1.00 0.00 0.00 179.01 179.74 3m8r h LYS 709 N 1.02 0.00 -0.31 2.33 5.09 -0.90 -1.70 116.57 122.10 3m8r h LYS 709 Ca 0.23 0.00 -0.13 0.00 0.09 0.00 0.00 60.65 60.84 3m8r h LYS 709 Cb 0.29 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.61 3m8r h LYS 709 CO -0.01 0.55 -0.31 1.15 -2.09 0.00 0.00 179.45 178.75 3m8r h THR 710 N 0.00 1.30 -0.48 0.07 2.02 -0.69 -2.09 112.91 113.04 3m8r h THR 710 Ca -0.01 -1.48 -0.11 0.00 0.77 0.00 0.00 66.41 65.59 3m8r h THR 710 Cb 1.29 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 69.23 3m8r h THR 710 CO 0.07 0.48 -0.12 -0.07 0.37 0.00 0.00 175.52 176.24 3m8r h LEU 711 N 0.51 0.94 -0.42 2.58 3.38 -1.28 -1.43 115.31 119.58 3m8r h LEU 711 Ca 0.05 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.68 3m8r h LEU 711 Cb 0.88 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 3m8r h LEU 711 CO 0.08 1.09 0.22 -0.08 0.09 0.00 0.00 178.44 179.83 3m8r h GLU 712 N 0.78 0.42 -0.05 1.13 4.22 -1.26 -1.51 114.58 118.32 3m8r h GLU 712 Ca 0.12 -0.03 -0.11 0.00 0.08 0.00 0.00 59.36 59.42 3m8r h GLU 712 Cb 0.68 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3m8r h GLU 712 CO 0.05 0.28 -0.49 1.49 -2.18 0.00 0.00 179.01 178.16 3m8r h GLU 713 N 0.44 0.12 -0.00 1.92 4.81 -1.22 -2.80 114.58 117.84 3m8r h GLU 713 Ca 0.18 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.22 3m8r h GLU 713 Cb 0.07 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 3m8r h GLU 713 CO -0.12 0.59 -0.58 0.78 -0.73 0.00 0.00 179.01 178.95 3m8r h GLY 714 N 1.40 0.02 1.18 1.92 0.00 -0.77 -2.35 103.07 104.47 3m8r h GLY 714 Ca 0.00 -0.02 -0.16 0.00 0.00 0.00 0.00 47.33 47.15 3m8r h GLY 714 CO 0.07 0.02 -0.40 3.21 0.00 0.00 0.00 176.54 179.44 3m8r h ARG 715 N 0.01 0.89 -0.01 4.80 3.08 -1.03 -0.51 114.38 121.62 3m8r h ARG 715 Ca -0.01 -0.48 -0.01 0.00 0.07 0.00 0.00 59.98 59.56 3m8r h ARG 715 Cb 1.03 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.10 3m8r h ARG 715 CO 0.08 1.13 -0.02 -0.09 -1.07 0.00 0.00 179.97 179.99 3m8r h ARG 716 N 0.73 0.03 0.00 0.04 2.43 -1.44 -3.35 114.38 112.82 3m8r h ARG 716 Ca 0.06 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 3m8r h ARG 716 Cb 0.99 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 3m8r h ARG 716 CO 0.10 0.61 -1.16 0.00 -1.51 0.00 0.00 179.97 178.00 3m8r h ARG 717 N -0.53 0.00 0.00 0.20 3.08 -1.51 -3.48 114.38 112.14 3m8r h ARG 717 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3m8r h ARG 717 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 3m8r h ARG 717 CO 0.00 0.15 0.00 0.41 -1.07 0.00 0.00 179.97 179.46 3m8r n GLY 718 N 1.28 0.75 3.35 0.04 0.00 -0.20 -5.04 105.19 105.37 3m8r n GLY 718 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 3m8r n GLY 718 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3m8r s TYR 719 N -2.60 -0.08 0.43 1.61 1.13 -1.20 -2.07 117.35 114.56 3m8r s TYR 719 Ca 0.00 -0.26 0.07 0.00 -1.41 0.00 0.00 57.07 55.47 3m8r s TYR 719 Cb 0.00 0.22 -0.05 0.00 -1.10 0.00 0.00 41.96 41.03 3m8r s TYR 719 CO 0.00 -0.73 0.13 0.14 -2.51 0.00 0.00 175.55 172.58 3m8r s VAL 720 N -3.84 2.11 0.00 -3.49 -7.23 -0.44 -4.10 120.40 103.41 3m8r s VAL 720 Ca 0.06 -1.79 -0.15 0.00 -1.81 0.00 0.00 61.98 58.29 3m8r s VAL 720 Cb 0.02 -2.90 0.02 0.00 0.56 0.00 0.00 36.38 34.08 3m8r s VAL 720 CO -0.09 0.00 0.31 -1.83 -0.31 0.00 0.00 175.10 173.19 3m8r s GLU 721 N -3.87 0.72 0.88 4.82 -1.05 -1.26 -1.67 118.70 117.27 3m8r s GLU 721 Ca 0.36 -0.29 -0.13 0.00 -0.15 0.00 0.00 54.97 54.77 3m8r s GLU 721 Cb 0.05 0.32 0.20 0.00 -0.44 0.00 0.00 34.13 34.26 3m8r s GLU 721 CO 0.20 -0.21 1.19 0.25 0.95 0.00 0.00 175.26 177.64 3m8r n THR 722 N 1.04 0.00 0.27 1.83 -2.24 -0.27 -4.48 114.28 110.42 3m8r n THR 722 Ca -0.21 -1.04 0.10 0.00 -2.27 0.00 0.00 64.05 60.64 3m8r n THR 722 Cb 0.57 -1.42 0.71 0.00 -2.10 0.00 0.00 70.33 68.09 3m8r n THR 722 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3m8r h LEU 723 N 0.00 0.00 -2.19 3.22 5.85 -1.91 -1.68 115.31 118.60 3m8r h LEU 723 Ca -0.39 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.33 3m8r h LEU 723 Cb 1.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.16 3m8r h LEU 723 CO 0.30 0.02 0.00 0.49 -0.34 0.00 0.00 178.44 178.91 3m8r n PHE 724 N -4.29 0.45 -0.46 1.25 3.01 -1.26 -4.94 117.46 111.21 3m8r n PHE 724 Ca -0.03 -0.23 0.00 0.00 1.01 0.00 0.00 57.45 58.21 3m8r n PHE 724 Cb 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.58 3m8r n PHE 724 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3m8r n GLY 725 N 1.47 0.76 3.73 1.37 0.00 -0.63 -4.73 105.19 107.16 3m8r n GLY 725 Ca 0.19 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3m8r n GLY 725 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3m8r s ARG 726 N -0.59 4.26 0.05 1.61 3.52 -1.26 -4.75 118.95 121.79 3m8r s ARG 726 Ca 0.00 2.29 0.04 0.00 -0.13 0.00 0.00 55.73 57.93 3m8r s ARG 726 Cb 0.00 -3.14 -0.04 0.00 -1.56 0.00 0.00 34.95 30.21 3m8r s ARG 726 CO 0.00 -0.49 -0.02 1.03 -0.81 0.00 0.00 175.30 175.01 3m8r s ARG 727 N 0.34 2.57 -0.07 5.12 0.52 -1.26 -1.11 118.95 125.05 3m8r s ARG 727 Ca 0.64 -0.77 0.01 0.00 -0.52 0.00 0.00 55.73 55.09 3m8r s ARG 727 Cb -0.42 -2.54 0.02 0.00 0.52 0.00 0.00 34.95 32.53 3m8r s ARG 727 CO 0.37 0.57 -0.09 0.50 0.02 0.00 0.00 175.30 176.67 3m8r s ARG 728 N -1.92 1.48 -0.09 3.54 3.52 -0.67 -4.38 118.95 120.42 3m8r s ARG 728 Ca 0.22 -0.31 -0.24 0.00 -0.13 0.00 0.00 55.73 55.27 3m8r s ARG 728 Cb -0.11 -1.33 -0.03 0.00 -1.56 0.00 0.00 34.95 31.91 3m8r s ARG 728 CO 0.14 -0.07 0.72 0.71 -0.81 0.00 0.00 175.30 175.99 3m8r s TYR 729 N 0.97 3.54 -0.48 5.12 1.51 -1.26 -1.33 117.35 125.42 3m8r s TYR 729 Ca -0.09 1.24 0.03 0.00 -1.01 0.00 0.00 57.07 57.24 3m8r s TYR 729 Cb -0.15 -2.85 0.15 0.00 -0.11 0.00 0.00 41.96 39.01 3m8r s TYR 729 CO 0.00 0.02 0.33 0.08 -1.11 0.00 0.00 175.55 174.86 3m8r s VAL 730 N 1.09 1.27 -0.45 0.71 1.01 -0.88 -4.98 120.40 118.17 3m8r s VAL 730 Ca 0.37 -2.90 0.26 0.00 0.00 0.00 0.00 61.98 59.71 3m8r s VAL 730 Cb -0.17 -1.87 0.30 0.00 0.00 0.00 0.00 36.38 34.63 3m8r s VAL 730 CO 0.17 -1.04 1.77 -0.65 0.00 0.00 0.00 175.10 175.34 3m8r h PRO 731 N 6.09 0.00 -0.11 2.72 0.11 -1.94 -3.23 132.00 135.64 3m8r h PRO 731 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3m8r h PRO 731 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3m8r h PRO 731 CO 0.48 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.02 3m8r n ASP 732 N -2.50 0.96 0.20 -2.05 8.00 -1.26 -3.89 116.55 116.01 3m8r n ASP 732 Ca 0.03 -1.64 0.14 0.00 0.71 0.00 0.00 54.79 54.04 3m8r n ASP 732 Cb 0.34 -0.07 0.70 0.00 -0.02 0.00 0.00 41.12 42.08 3m8r n ASP 732 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3m8r h LEU 733 N 1.25 0.00 -2.91 0.64 3.38 -1.84 -1.75 115.31 114.08 3m8r h LEU 733 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3m8r h LEU 733 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3m8r h LEU 733 CO 0.00 0.00 -0.21 -0.62 0.09 0.00 0.00 178.44 177.70 3m8r n GLU 734 N -2.48 1.20 -1.48 1.13 1.02 -1.25 -5.00 120.64 113.78 3m8r n GLU 734 Ca -0.01 -2.61 -0.36 0.00 -0.02 0.00 0.00 57.16 54.16 3m8r n GLU 734 Cb 0.10 -1.39 0.09 0.00 -0.02 0.00 0.00 31.44 30.22 3m8r n GLU 734 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3m8r n ALA 735 N -1.16 0.48 1.06 0.62 0.00 -0.66 -4.93 120.51 115.93 3m8r n ALA 735 Ca 0.15 -0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.58 3m8r n ALA 735 Cb 0.68 -2.24 0.10 0.00 0.00 0.00 0.00 19.45 17.98 3m8r n ALA 735 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3m8r n ARG 736 N -2.18 1.38 -3.32 0.00 1.74 -1.26 -4.71 116.66 108.31 3m8r n ARG 736 Ca 0.15 -1.09 -0.40 0.00 -0.77 0.00 0.00 57.85 55.73 3m8r n ARG 736 Cb 0.49 -1.48 -0.08 0.00 -1.02 0.00 0.00 32.46 30.37 3m8r n ARG 736 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3m8r s VAL 737 N -2.37 5.10 0.15 1.55 1.01 -1.26 -4.99 120.40 119.59 3m8r s VAL 737 Ca 0.22 0.43 -0.21 0.00 0.00 0.00 0.00 61.98 62.42 3m8r s VAL 737 Cb 0.19 -3.83 0.04 0.00 0.00 0.00 0.00 36.38 32.78 3m8r s VAL 737 CO 0.50 -0.03 1.64 0.50 0.00 0.00 0.00 175.10 177.72 3m8r h LYS 738 N 8.30 -0.18 -0.89 2.72 3.64 -1.99 -0.06 116.57 128.11 3m8r h LYS 738 Ca -0.30 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.08 3m8r h LYS 738 Cb 1.14 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.96 3m8r h LYS 738 CO 0.71 -0.12 0.48 0.66 -2.27 0.00 0.00 179.45 178.91 3m8r h SER 739 N -0.19 1.12 -0.49 4.20 4.64 -1.98 0.14 113.55 120.99 3m8r h SER 739 Ca 0.15 -0.11 -0.05 0.00 -0.47 0.00 0.00 61.79 61.31 3m8r h SER 739 Cb 0.41 -0.29 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 3m8r h SER 739 CO -0.38 0.90 0.13 0.58 -0.87 0.00 0.00 176.83 177.19 3m8r h VAL 740 N 1.25 1.24 -0.29 0.95 2.07 -1.82 -1.45 116.25 118.20 3m8r h VAL 740 Ca 0.31 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 3m8r h VAL 740 Cb 0.04 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3m8r h VAL 740 CO -0.05 0.30 0.10 -0.09 0.02 0.00 0.00 177.57 177.85 3m8r h ARG 741 N 0.67 0.44 -0.10 1.57 2.43 -0.14 -1.89 114.38 117.36 3m8r h ARG 741 Ca 0.16 -0.09 -0.13 0.00 -0.81 0.00 0.00 59.98 59.11 3m8r h ARG 741 Cb 0.32 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 3m8r h ARG 741 CO 0.00 0.47 -0.52 0.93 -1.51 0.00 0.00 179.97 179.34 3m8r h GLU 742 N 0.31 0.27 -0.30 0.20 5.08 -0.70 -0.38 114.58 119.06 3m8r h GLU 742 Ca 0.09 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3m8r h GLU 742 Cb 0.21 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3m8r h GLU 742 CO -0.01 0.72 0.16 0.00 -1.00 0.00 0.00 179.01 178.89 3m8r h ALA 743 N 1.25 0.39 -0.70 3.43 0.00 -1.19 -1.70 119.26 120.74 3m8r h ALA 743 Ca 0.01 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.90 3m8r h ALA 743 Cb 0.99 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 3m8r h ALA 743 CO 0.08 -0.09 0.46 0.00 0.00 0.00 0.00 179.25 179.71 3m8r h ALA 744 N 1.04 1.70 -0.41 0.00 0.00 -0.62 -1.97 119.26 119.01 3m8r h ALA 744 Ca 0.11 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3m8r h ALA 744 Cb 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3m8r h ALA 744 CO -0.02 0.20 -0.19 0.93 0.00 0.00 0.00 179.25 180.17 3m8r h GLU 745 N 0.74 0.85 -0.30 0.00 5.08 -0.55 -0.68 114.58 119.72 3m8r h GLU 745 Ca 0.30 -0.37 -0.12 0.00 -1.00 0.00 0.00 59.36 58.17 3m8r h GLU 745 Cb 0.22 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3m8r h GLU 745 CO -0.09 1.01 -0.30 0.00 -1.00 0.00 0.00 179.01 178.62 3m8r h ARG 746 N 0.66 0.63 -0.64 2.33 3.08 -0.78 -1.50 114.38 118.15 3m8r h ARG 746 Ca 0.09 -0.27 -0.06 0.00 0.07 0.00 0.00 59.98 59.81 3m8r h ARG 746 Cb 0.75 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.75 3m8r h ARG 746 CO 0.06 0.85 0.16 0.52 -1.07 0.00 0.00 179.97 180.49 3m8r h MET 747 N 0.54 1.03 0.12 0.04 2.86 -1.27 -2.77 114.93 115.48 3m8r h MET 747 Ca 0.07 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 3m8r h MET 747 Cb 0.78 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.31 3m8r h MET 747 CO 0.06 0.93 -0.06 0.00 1.06 0.00 0.00 176.91 178.90 3m8r h ALA 748 N 1.06 -0.16 0.00 6.32 0.00 -0.56 -2.71 119.26 123.20 3m8r h ALA 748 Ca 0.20 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3m8r h ALA 748 Cb 0.36 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3m8r h ALA 748 CO 0.00 -0.44 -0.06 1.97 0.00 0.00 0.00 179.25 180.73 3m8r n PHE 749 N -5.02 0.59 0.03 0.00 1.16 -0.62 -2.85 117.46 110.75 3m8r n PHE 749 Ca -0.09 0.17 -0.12 0.00 -1.87 0.00 0.00 57.45 55.54 3m8r n PHE 749 Cb 0.20 -0.77 -0.00 0.00 -1.61 0.00 0.00 39.48 37.30 3m8r n PHE 749 CO 0.00 0.00 0.00 -0.97 -1.87 0.00 0.00 176.76 173.92 3m8r h ASN 750 N 0.00 0.63 -0.76 5.98 -0.73 -1.44 -3.38 115.58 115.88 3m8r h ASN 750 Ca 0.00 -0.42 -0.03 0.00 1.87 0.00 0.00 56.30 57.72 3m8r h ASN 750 Cb 0.66 -0.19 -0.03 0.00 0.27 0.00 0.00 38.32 39.03 3m8r h ASN 750 CO 0.00 1.18 0.36 -0.03 -0.37 0.00 0.00 177.43 178.56 3m8r h MET 751 N 0.36 1.11 -0.65 6.67 4.05 -1.33 -0.63 114.93 124.51 3m8r h MET 751 Ca -0.04 -0.17 -0.02 0.00 -0.28 0.00 0.00 59.70 59.19 3m8r h MET 751 Cb 1.34 -0.20 -0.03 0.00 -0.80 0.00 0.00 31.60 31.92 3m8r h MET 751 CO 0.14 0.87 0.32 -1.35 0.23 0.00 0.00 176.91 177.11 3m8r h PRO 752 N 1.08 0.92 0.21 0.39 0.11 -1.74 0.16 132.00 133.13 3m8r h PRO 752 Ca 0.26 -0.12 -0.01 0.00 0.11 0.00 0.00 66.00 66.24 3m8r h PRO 752 Cb 0.14 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.07 3m8r h PRO 752 CO -0.03 0.70 -0.10 0.28 -0.21 0.00 0.00 178.00 178.64 3m8r h VAL 753 N 0.91 0.55 -0.84 3.15 2.07 -1.53 -1.96 116.25 118.61 3m8r h VAL 753 Ca 0.23 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.71 3m8r h VAL 753 Cb 0.09 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 3m8r h VAL 753 CO -0.03 0.15 0.45 -0.61 0.02 0.00 0.00 177.57 177.55 3m8r h GLN 754 N -0.96 1.17 -0.12 1.57 4.15 -1.18 -2.44 115.11 117.29 3m8r h GLN 754 Ca -0.03 -0.14 -0.15 0.00 0.77 0.00 0.00 58.65 59.10 3m8r h GLN 754 Cb 0.46 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 3m8r h GLN 754 CO 0.05 0.86 -0.58 0.78 -1.93 0.00 0.00 178.83 178.00 3m8r h GLY 755 N 1.19 0.42 0.91 2.39 0.00 -0.76 -2.13 103.07 105.08 3m8r h GLY 755 Ca 0.29 -0.50 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 3m8r h GLY 755 CO -0.05 0.45 -0.11 -0.84 0.00 0.00 0.00 176.54 175.99 3m8r h THR 756 N 0.29 1.29 -0.99 4.70 2.02 -1.13 -0.47 112.91 118.62 3m8r h THR 756 Ca -0.00 -1.18 0.05 0.00 0.77 0.00 0.00 66.41 66.05 3m8r h THR 756 Cb 1.11 1.41 -0.06 0.00 -1.74 0.00 0.00 68.15 68.87 3m8r h THR 756 CO 0.10 0.38 0.64 0.00 0.37 0.00 0.00 175.52 177.01 3m8r h ALA 757 N 0.78 1.34 -0.56 6.16 0.00 -1.37 -0.45 119.26 125.15 3m8r h ALA 757 Ca 0.07 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3m8r h ALA 757 Cb 0.62 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3m8r h ALA 757 CO 0.04 0.48 -0.06 0.00 0.00 0.00 0.00 179.25 179.71 3m8r h ALA 758 N 1.43 0.82 -0.38 0.00 0.00 -1.17 -2.33 119.26 117.64 3m8r h ALA 758 Ca 0.41 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3m8r h ALA 758 Cb 0.09 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3m8r h ALA 758 CO -0.15 0.67 0.22 -0.44 0.00 0.00 0.00 179.25 179.55 3m8r h ASP 759 N 0.93 0.36 -0.00 0.00 3.32 -0.22 -1.18 116.42 119.64 3m8r h ASP 759 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3m8r h ASP 759 Cb 0.62 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.09 3m8r h ASP 759 CO 0.04 0.26 -0.02 -0.07 -1.72 0.00 0.00 179.24 177.74 3m8r h LEU 760 N 0.45 -0.04 -1.04 1.55 3.38 -0.96 -1.04 115.31 117.61 3m8r h LEU 760 Ca 0.15 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3m8r h LEU 760 Cb -0.00 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3m8r h LEU 760 CO -0.07 -0.02 0.53 -0.03 0.09 0.00 0.00 178.44 178.94 3m8r h MET 761 N -0.03 1.19 -0.22 1.13 4.05 -1.25 -0.19 114.93 119.61 3m8r h MET 761 Ca 0.01 -0.11 -0.02 0.00 -0.28 0.00 0.00 59.70 59.30 3m8r h MET 761 Cb 0.04 -0.25 -0.01 0.00 -0.80 0.00 0.00 31.60 30.58 3m8r h MET 761 CO -0.02 0.83 0.04 0.87 0.23 0.00 0.00 176.91 178.87 3m8r h LYS 762 N 1.21 0.36 -0.76 0.39 1.57 -0.88 -0.93 116.57 117.53 3m8r h LYS 762 Ca 0.31 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 3m8r h LYS 762 Cb -0.05 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.18 3m8r h LYS 762 CO -0.06 0.49 0.44 1.25 -0.57 0.00 0.00 179.45 181.01 3m8r h LEU 763 N 0.17 0.91 -0.64 2.94 5.85 -0.86 -1.56 115.31 122.12 3m8r h LEU 763 Ca 0.07 -0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.62 3m8r h LEU 763 Cb 0.30 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 3m8r h LEU 763 CO 0.00 0.71 -0.16 0.00 -0.34 0.00 0.00 178.44 178.65 3m8r h ALA 764 N 1.44 0.83 -0.64 1.25 0.00 -0.68 -1.65 119.26 119.81 3m8r h ALA 764 Ca 0.27 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 3m8r h ALA 764 Cb -0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3m8r h ALA 764 CO -0.05 0.65 0.10 0.52 0.00 0.00 0.00 179.25 180.47 3m8r h MET 765 N 0.80 1.07 -0.46 0.00 2.86 -0.67 0.74 114.93 119.27 3m8r h MET 765 Ca 0.12 -0.29 -0.02 0.00 -2.06 0.00 0.00 59.70 57.44 3m8r h MET 765 Cb 0.70 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 3m8r h MET 765 CO 0.05 0.99 0.19 0.28 1.06 0.00 0.00 176.91 179.49 3m8r h VAL 766 N 0.99 1.20 -0.48 -2.22 2.07 -1.03 -1.31 116.25 115.47 3m8r h VAL 766 Ca 0.19 -0.60 -0.07 0.00 0.82 0.00 0.00 66.70 67.05 3m8r h VAL 766 Cb 0.45 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 3m8r h VAL 766 CO 0.01 0.22 0.02 0.11 0.02 0.00 0.00 177.57 177.96 3m8r h LYS 767 N 0.59 0.83 0.02 1.57 1.57 -1.13 -3.33 116.57 116.69 3m8r h LYS 767 Ca 0.15 -0.25 -0.24 0.00 -1.87 0.00 0.00 60.65 58.44 3m8r h LYS 767 Cb 0.17 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.40 3m8r h LYS 767 CO -0.01 0.86 -1.00 1.25 -0.57 0.00 0.00 179.45 179.98 3m8r h LEU 768 N 0.68 0.60 -0.48 2.94 5.85 -0.65 -3.35 115.31 120.91 3m8r h LEU 768 Ca 0.14 -0.50 0.09 0.00 0.84 0.00 0.00 57.88 58.45 3m8r h LEU 768 Cb 0.48 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.24 3m8r h LEU 768 CO 0.02 1.31 -0.03 0.15 -0.34 0.00 0.00 178.44 179.55 3m8r h PHE 769 N 0.25 -0.08 -0.71 1.25 3.57 -1.35 -0.75 116.94 119.12 3m8r h PHE 769 Ca -0.10 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 3m8r h PHE 769 Cb 1.65 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 40.46 3m8r h PHE 769 CO 0.07 -0.13 0.43 -1.35 -2.23 0.00 0.00 178.31 175.10 3m8r h PRO 770 N 0.09 0.95 -0.40 6.41 0.11 -1.76 -2.16 132.00 135.24 3m8r h PRO 770 Ca 0.24 -0.08 -0.09 0.00 0.11 0.00 0.00 66.00 66.19 3m8r h PRO 770 Cb 0.36 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.25 3m8r h PRO 770 CO -0.42 0.66 -0.10 0.00 -0.21 0.00 0.00 178.00 177.92 3m8r h ARG 771 N 0.97 0.70 -0.27 1.05 2.47 -1.33 -2.65 114.38 115.31 3m8r h ARG 771 Ca 0.26 -0.22 -0.07 0.00 -1.26 0.00 0.00 59.98 58.68 3m8r h ARG 771 Cb -0.05 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.19 3m8r h ARG 771 CO -0.05 0.79 -0.12 -0.07 0.56 0.00 0.00 179.97 181.08 3m8r h LEU 772 N 0.64 0.58 -0.64 3.04 3.38 -0.77 -2.87 115.31 118.67 3m8r h LEU 772 Ca 0.11 -0.40 0.12 0.00 0.09 0.00 0.00 57.88 57.80 3m8r h LEU 772 Cb 0.55 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.05 3m8r h LEU 772 CO 0.03 0.85 0.16 -0.33 0.09 0.00 0.00 178.44 179.25 3m8r h GLU 773 N 0.31 0.28 -0.83 1.13 5.08 -1.30 0.43 114.58 119.68 3m8r h GLU 773 Ca 0.06 -0.02 0.19 0.00 -1.00 0.00 0.00 59.36 58.60 3m8r h GLU 773 Cb 0.63 -0.06 -0.12 0.00 0.50 0.00 0.00 28.75 29.70 3m8r h GLU 773 CO 0.04 0.19 0.30 0.93 -1.00 0.00 0.00 179.01 179.46 3m8r h GLU 774 N 0.29 0.34 -0.27 2.33 5.08 -1.26 -2.24 114.58 118.84 3m8r h GLU 774 Ca 0.34 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 3m8r h GLU 774 Cb 0.51 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3m8r h GLU 774 CO -0.41 0.23 0.00 -1.33 -1.00 0.00 0.00 179.01 176.49 3m8r n MET 775 N -5.09 2.02 -1.53 2.33 2.81 0.04 -4.91 117.12 112.79 3m8r n MET 775 Ca 0.18 -1.54 -0.09 0.00 -1.81 0.00 0.00 57.70 54.44 3m8r n MET 775 Cb 0.56 -1.43 -0.03 0.00 -0.71 0.00 0.00 33.22 31.61 3m8r n MET 775 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3m8r n GLY 776 N 1.26 0.77 3.95 3.03 0.00 -0.75 -4.88 105.19 108.57 3m8r n GLY 776 Ca 0.17 -0.59 -0.19 0.00 0.00 0.00 0.00 46.02 45.41 3m8r n GLY 776 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m8r s ALA 777 N -2.37 4.22 0.07 4.61 0.00 -0.59 -4.47 121.76 123.22 3m8r s ALA 777 Ca 0.00 -1.63 0.07 0.00 0.00 0.00 0.00 51.96 50.40 3m8r s ALA 777 Cb 0.00 -1.45 -0.03 0.00 0.00 0.00 0.00 23.12 21.64 3m8r s ALA 777 CO 0.00 -0.13 -0.19 1.03 0.00 0.00 0.00 175.76 176.46 3m8r s ARG 778 N -4.19 1.17 -0.24 0.00 0.52 0.21 -4.07 118.95 112.35 3m8r s ARG 778 Ca 0.48 -1.00 -0.11 0.00 -0.52 0.00 0.00 55.73 54.57 3m8r s ARG 778 Cb -0.08 -1.32 -0.05 0.00 0.52 0.00 0.00 34.95 34.02 3m8r s ARG 778 CO 0.30 0.32 0.19 1.41 0.02 0.00 0.00 175.30 177.55 3m8r s MET 779 N -1.50 4.07 -0.16 3.54 -2.45 -1.26 -1.35 119.30 120.18 3m8r s MET 779 Ca 0.05 -0.22 -0.11 0.00 -1.25 0.00 0.00 55.69 54.16 3m8r s MET 779 Cb -0.09 -3.55 -0.07 0.00 1.25 0.00 0.00 34.83 32.37 3m8r s MET 779 CO 0.03 0.02 -0.26 1.28 1.05 0.00 0.00 175.02 177.14 3m8r n LEU 780 N 4.40 1.55 -4.06 4.11 4.77 -0.13 -4.39 117.00 123.25 3m8r n LEU 780 Ca -0.14 0.26 -0.10 0.00 -0.03 0.00 0.00 56.01 56.00 3m8r n LEU 780 Cb 0.52 -0.61 -0.11 0.00 -2.33 0.00 0.00 43.42 40.89 3m8r n LEU 780 CO 0.35 0.09 -0.38 -0.76 -1.33 0.00 0.00 177.39 175.37 3m8r s LEU 781 N -7.33 2.34 -0.06 2.23 1.43 -0.91 -4.78 118.68 111.60 3m8r s LEU 781 Ca -0.26 -0.71 0.05 0.00 -1.03 0.00 0.00 54.13 52.18 3m8r s LEU 781 Cb 0.08 0.03 -0.00 0.00 0.03 0.00 0.00 46.19 46.32 3m8r s LEU 781 CO 0.34 -0.37 -0.20 -1.58 0.23 0.00 0.00 176.35 174.77 3m8r s GLN 782 N -2.43 2.23 -0.54 1.70 -0.44 -1.26 -1.57 119.66 117.34 3m8r s GLN 782 Ca -0.05 -0.72 0.07 0.00 -2.50 0.00 0.00 55.36 52.16 3m8r s GLN 782 Cb -0.03 -1.85 0.27 0.00 -1.64 0.00 0.00 33.01 29.76 3m8r s GLN 782 CO -0.03 0.25 0.71 0.28 0.50 0.00 0.00 175.29 177.00 3m8r n VAL 783 N 3.24 1.39 0.00 1.34 0.31 -0.14 -4.80 118.33 119.67 3m8r n VAL 783 Ca -0.19 -4.88 0.00 0.00 -0.01 0.00 0.00 64.34 59.26 3m8r n VAL 783 Cb 0.53 -1.79 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 3m8r n VAL 783 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3m8r n HIS 784 N 0.78 0.00 -1.29 3.52 -0.00 -1.26 -2.73 115.22 114.24 3m8r n HIS 784 Ca 0.27 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 58.07 3m8r n HIS 784 Cb 0.46 0.00 0.12 0.00 -0.00 0.00 0.00 29.99 30.57 3m8r n HIS 784 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 3m8r n ASP 785 N 2.13 1.87 -4.18 0.41 5.75 -1.26 -4.81 116.55 116.47 3m8r n ASP 785 Ca 0.00 -2.93 -0.22 0.00 -0.01 0.00 0.00 54.79 51.63 3m8r n ASP 785 Cb 0.00 -0.39 -0.13 0.00 -1.03 0.00 0.00 41.12 39.56 3m8r n ASP 785 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 3m8r s GLU 786 N -2.34 1.06 -0.04 0.11 2.12 -1.11 -1.35 118.70 117.15 3m8r s GLU 786 Ca 0.27 -0.82 0.05 0.00 0.36 0.00 0.00 54.97 54.82 3m8r s GLU 786 Cb 0.24 -1.11 -0.01 0.00 0.26 0.00 0.00 34.13 33.52 3m8r s GLU 786 CO 0.02 0.28 -0.18 -0.51 -0.54 0.00 0.00 175.26 174.32 3m8r s LEU 787 N -1.18 1.95 -0.22 2.70 1.43 0.43 -0.96 118.68 122.84 3m8r s LEU 787 Ca 0.03 -0.35 -0.04 0.00 -1.03 0.00 0.00 54.13 52.74 3m8r s LEU 787 Cb -0.08 -0.97 -0.01 0.00 0.03 0.00 0.00 46.19 45.16 3m8r s LEU 787 CO 0.01 0.17 -0.05 -0.69 0.23 0.00 0.00 176.35 176.03 3m8r s VAL 788 N -0.08 3.35 0.36 -1.59 1.01 -0.61 -0.97 120.40 121.87 3m8r s VAL 788 Ca -0.01 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 61.55 3m8r s VAL 788 Cb -0.10 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 3m8r s VAL 788 CO 0.02 0.43 0.14 -0.76 0.00 0.00 0.00 175.10 174.93 3m8r s LEU 789 N 1.42 3.19 -0.07 3.92 1.43 0.51 -0.96 118.68 128.12 3m8r s LEU 789 Ca 0.05 -0.87 0.01 0.00 -1.03 0.00 0.00 54.13 52.29 3m8r s LEU 789 Cb -0.14 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.47 3m8r s LEU 789 CO -0.03 -0.36 -0.07 -0.70 0.23 0.00 0.00 176.35 175.42 3m8r s GLU 790 N -3.85 1.24 0.02 1.70 2.12 -0.46 -0.97 118.70 118.50 3m8r s GLU 790 Ca 0.38 -0.22 0.03 0.00 0.36 0.00 0.00 54.97 55.52 3m8r s GLU 790 Cb -0.01 -1.19 -0.01 0.00 0.26 0.00 0.00 34.13 33.18 3m8r s GLU 790 CO 0.22 -0.10 -0.09 0.00 -0.54 0.00 0.00 175.26 174.75 3m8r s ALA 791 N 1.09 0.70 0.39 6.30 0.00 -0.30 -0.62 121.76 129.31 3m8r s ALA 791 Ca -0.08 -0.57 -0.25 0.00 0.00 0.00 0.00 51.96 51.07 3m8r s ALA 791 Cb -0.14 -0.09 -0.12 0.00 0.00 0.00 0.00 23.12 22.77 3m8r s ALA 791 CO -0.01 0.11 0.96 -2.30 0.00 0.00 0.00 175.76 174.52 3m8r n PRO 792 N 2.21 1.27 -0.26 0.00 -0.02 -1.26 -0.87 135.00 136.07 3m8r n PRO 792 Ca -0.17 0.45 0.09 0.00 -2.02 0.00 0.00 63.50 61.85 3m8r n PRO 792 Cb 0.56 -1.93 0.34 0.00 -0.02 0.00 0.00 33.50 32.45 3m8r n PRO 792 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3m8r h LYS 793 N 1.58 0.75 0.00 -0.52 1.57 -1.69 0.03 116.57 118.29 3m8r h LYS 793 Ca -0.43 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.27 3m8r h LYS 793 Cb 1.34 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.48 3m8r h LYS 793 CO 0.57 0.50 -0.16 1.49 -0.57 0.00 0.00 179.45 181.28 3m8r h GLU 794 N 0.77 0.00 -0.01 3.15 4.57 -1.88 -3.06 114.58 118.13 3m8r h GLU 794 Ca 0.41 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.59 3m8r h GLU 794 Cb 0.53 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 3m8r h GLU 794 CO -0.18 0.16 -0.34 0.54 -1.18 0.00 0.00 179.01 178.02 3m8r n ARG 795 N -3.40 2.33 -0.22 1.92 1.74 -0.35 -4.72 116.66 113.96 3m8r n ARG 795 Ca -0.00 -0.47 0.02 0.00 -0.77 0.00 0.00 57.85 56.62 3m8r n ARG 795 Cb 0.35 -1.11 0.13 0.00 -1.02 0.00 0.00 32.46 30.81 3m8r n ARG 795 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3m8r h ALA 796 N 1.95 0.84 -0.52 7.54 0.00 -0.95 -0.28 119.26 127.84 3m8r h ALA 796 Ca 0.00 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3m8r h ALA 796 Cb 0.37 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3m8r h ALA 796 CO 0.00 -0.24 0.13 1.49 0.00 0.00 0.00 179.25 180.63 3m8r h GLU 797 N 0.36 0.83 -0.31 0.00 4.57 -1.84 -0.54 114.58 117.65 3m8r h GLU 797 Ca 0.34 -0.20 -0.10 0.00 -1.18 0.00 0.00 59.36 58.22 3m8r h GLU 797 Cb 0.48 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 3m8r h GLU 797 CO -0.37 0.79 -0.24 0.00 -1.18 0.00 0.00 179.01 178.01 3m8r h ALA 798 N 1.00 1.00 -0.48 2.92 0.00 -1.69 -2.36 119.26 119.66 3m8r h ALA 798 Ca 0.16 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 3m8r h ALA 798 Cb 0.33 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3m8r h ALA 798 CO 0.00 0.59 0.02 0.28 0.00 0.00 0.00 179.25 180.14 3m8r h VAL 799 N 0.53 1.26 0.08 0.00 2.07 -0.61 -1.69 116.25 117.89 3m8r h VAL 799 Ca 0.08 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 3m8r h VAL 799 Cb 0.70 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 3m8r h VAL 799 CO 0.05 0.36 -0.04 0.00 0.02 0.00 0.00 177.57 177.97 3m8r h ALA 800 N 0.93 -0.11 -0.53 1.67 0.00 -0.90 -0.44 119.26 119.88 3m8r h ALA 800 Ca 0.14 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.04 3m8r h ALA 800 Cb 0.49 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 3m8r h ALA 800 CO 0.02 -0.53 0.27 0.00 0.00 0.00 0.00 179.25 179.01 3m8r h ARG 801 N -0.17 0.51 -0.16 0.00 3.08 -1.38 -1.57 114.38 114.69 3m8r h ARG 801 Ca -0.01 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 3m8r h ARG 801 Cb 0.14 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 3m8r h ARG 801 CO 0.02 0.34 0.03 1.25 -1.07 0.00 0.00 179.97 180.54 3m8r h LEU 802 N 0.53 0.25 -0.91 3.04 5.85 -1.04 -2.42 115.31 120.61 3m8r h LEU 802 Ca 0.23 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 3m8r h LEU 802 Cb 0.14 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 3m8r h LEU 802 CO -0.16 0.44 0.49 0.00 -0.34 0.00 0.00 178.44 178.88 3m8r h ALA 803 N 0.82 1.16 -0.75 1.25 0.00 -0.93 -1.11 119.26 119.71 3m8r h ALA 803 Ca 0.05 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3m8r h ALA 803 Cb 0.30 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3m8r h ALA 803 CO 0.00 0.67 0.46 -0.22 0.00 0.00 0.00 179.25 180.16 3m8r h LYS 804 N 1.27 1.01 -0.25 0.00 3.64 -1.19 -1.22 116.57 119.84 3m8r h LYS 804 Ca 0.32 -0.09 -0.13 0.00 -1.27 0.00 0.00 60.65 59.49 3m8r h LYS 804 Cb 0.03 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.63 3m8r h LYS 804 CO -0.05 0.71 -0.34 0.93 -2.27 0.00 0.00 179.45 178.43 3m8r h GLU 805 N 1.02 0.66 -0.44 1.90 4.39 -0.90 -1.27 114.58 119.94 3m8r h GLU 805 Ca 0.27 -0.38 0.00 0.00 0.34 0.00 0.00 59.36 59.59 3m8r h GLU 805 Cb -0.05 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 3m8r h GLU 805 CO -0.05 1.00 0.28 0.28 -1.16 0.00 0.00 179.01 179.36 3m8r h VAL 806 N 0.38 1.12 -0.34 3.13 2.07 -1.07 -1.91 116.25 119.63 3m8r h VAL 806 Ca 0.03 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 3m8r h VAL 806 Cb 0.92 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3m8r h VAL 806 CO 0.08 0.12 0.02 0.24 0.02 0.00 0.00 177.57 178.05 3m8r h MET 807 N 0.59 0.59 -0.03 1.57 2.86 -1.17 -2.14 114.93 117.20 3m8r h MET 807 Ca 0.16 -0.18 -0.08 0.00 -2.06 0.00 0.00 59.70 57.54 3m8r h MET 807 Cb -0.05 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 3m8r h MET 807 CO -0.03 0.69 -0.35 0.93 1.06 0.00 0.00 176.91 179.21 3m8r h GLU 808 N 0.40 0.05 -0.37 1.72 5.08 -1.12 -3.01 114.58 117.33 3m8r h GLU 808 Ca 0.10 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3m8r h GLU 808 Cb 0.42 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3m8r h GLU 808 CO 0.01 0.40 0.00 0.41 -1.00 0.00 0.00 179.01 178.83 3m8r n GLY 809 N -0.48 3.65 0.32 -3.84 0.00 -0.73 -4.42 105.19 99.69 3m8r n GLY 809 Ca -0.02 -0.98 0.02 0.00 0.00 0.00 0.00 46.02 45.04 3m8r n GLY 809 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3m8r h VAL 810 N 2.55 0.99 -0.73 1.61 3.04 -1.25 -3.40 116.25 119.07 3m8r h VAL 810 Ca 0.00 -0.31 0.01 0.00 -1.01 0.00 0.00 66.70 65.39 3m8r h VAL 810 Cb 1.59 -0.00 -0.19 0.00 -2.01 0.00 0.00 31.29 30.68 3m8r h VAL 810 CO 0.30 0.17 -0.33 -0.47 -1.01 0.00 0.00 177.57 176.23 3m8r s TYR 811 N -6.04 -1.27 0.29 3.17 5.04 -1.26 -4.96 117.35 112.31 3m8r s TYR 811 Ca -0.12 0.21 -0.28 0.00 -2.44 0.00 0.00 57.07 54.44 3m8r s TYR 811 Cb 0.19 0.23 -0.14 0.00 0.35 0.00 0.00 41.96 42.59 3m8r s TYR 811 CO 0.79 -0.85 0.95 -2.30 -1.34 0.00 0.00 175.55 172.80 3m8r n PRO 812 N 4.22 1.21 -1.73 4.97 -0.02 -1.26 -5.02 135.00 137.37 3m8r n PRO 812 Ca 0.09 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3m8r n PRO 812 Cb 0.59 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 3m8r n PRO 812 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3m8r n LEU 813 N 1.25 0.00 0.01 2.45 4.77 -1.26 -5.02 117.00 119.21 3m8r n LEU 813 Ca 0.10 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.20 3m8r n LEU 813 Cb 0.32 0.00 0.51 0.00 -2.33 0.00 0.00 43.42 41.92 3m8r n LEU 813 CO 0.59 -0.05 0.88 0.00 -1.33 0.00 0.00 177.39 177.48 3m8r n ALA 814 N -3.00 2.11 -2.41 -1.18 0.00 -1.26 -4.70 120.51 110.06 3m8r n ALA 814 Ca 0.00 -0.08 -0.20 0.00 0.00 0.00 0.00 53.44 53.17 3m8r n ALA 814 Cb 0.00 -1.40 -0.11 0.00 0.00 0.00 0.00 19.45 17.95 3m8r n ALA 814 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3m8r s VAL 815 N -3.01 1.71 0.41 0.00 -7.23 -1.26 -5.04 120.40 105.98 3m8r s VAL 815 Ca 0.11 -2.03 -0.25 0.00 -1.81 0.00 0.00 61.98 58.01 3m8r s VAL 815 Cb 0.16 -1.89 -0.08 0.00 0.56 0.00 0.00 36.38 35.12 3m8r s VAL 815 CO 0.45 -0.46 1.15 -2.16 -0.31 0.00 0.00 175.10 173.77 3m8r s PRO 816 N -3.18 4.02 -0.23 4.82 0.05 -1.26 -5.02 135.00 134.20 3m8r s PRO 816 Ca 0.18 1.78 -0.14 0.00 0.05 0.00 0.00 61.00 62.87 3m8r s PRO 816 Cb -0.03 -2.61 -0.04 0.00 0.05 0.00 0.00 34.50 31.86 3m8r s PRO 816 CO 0.06 -0.33 0.33 -0.51 0.05 0.00 0.00 177.00 176.60 3m8r s LEU 817 N -2.60 4.11 0.09 -3.56 1.43 -1.26 -5.04 118.68 111.84 3m8r s LEU 817 Ca 0.58 0.33 0.04 0.00 -1.03 0.00 0.00 54.13 54.05 3m8r s LEU 817 Cb -0.29 -2.38 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 3m8r s LEU 817 CO 0.36 -0.07 0.05 -1.61 0.23 0.00 0.00 176.35 175.31 3m8r s GLU 818 N 1.49 2.74 -0.06 1.70 2.02 -1.26 -4.68 118.70 120.65 3m8r s GLU 818 Ca 0.15 -0.77 0.00 0.00 0.02 0.00 0.00 54.97 54.37 3m8r s GLU 818 Cb -0.15 -2.64 0.02 0.00 0.10 0.00 0.00 34.13 31.47 3m8r s GLU 818 CO 0.08 0.55 -0.04 0.08 0.02 0.00 0.00 175.26 175.95 3m8r s VAL 819 N -1.39 0.61 0.05 2.63 1.01 -1.26 -1.04 120.40 121.01 3m8r s VAL 819 Ca 0.28 -0.10 -0.23 0.00 0.00 0.00 0.00 61.98 61.93 3m8r s VAL 819 Cb -0.12 -0.67 -0.06 0.00 0.00 0.00 0.00 36.38 35.54 3m8r s VAL 819 CO 0.21 0.27 0.68 -1.61 0.00 0.00 0.00 175.10 174.64 3m8r s GLU 820 N 1.35 4.40 -0.01 2.72 0.41 -0.46 -4.90 118.70 122.21 3m8r s GLU 820 Ca -0.04 0.92 0.02 0.00 -0.41 0.00 0.00 54.97 55.46 3m8r s GLU 820 Cb -0.14 -3.32 -0.00 0.00 -1.78 0.00 0.00 34.13 28.89 3m8r s GLU 820 CO -0.03 0.41 -0.07 0.54 -0.49 0.00 0.00 175.26 175.62 3m8r s VAL 821 N -0.43 0.60 0.14 2.63 0.11 -1.26 -1.07 120.40 121.11 3m8r s VAL 821 Ca 0.34 -0.31 0.03 0.00 -2.93 0.00 0.00 61.98 59.11 3m8r s VAL 821 Cb -0.20 -0.52 -0.04 0.00 -1.53 0.00 0.00 36.38 34.09 3m8r s VAL 821 CO 0.21 0.18 -0.07 -0.83 -3.33 0.00 0.00 175.10 171.26 3m8r s GLY 822 N -0.06 0.99 -0.04 6.54 0.00 -0.47 -4.99 107.32 109.30 3m8r s GLY 822 Ca 0.01 -1.46 0.03 0.00 0.00 0.00 0.00 44.72 43.30 3m8r s GLY 822 CO -0.00 -1.53 -0.12 -0.42 0.00 0.00 0.00 173.10 171.02 3m8r s ILE 823 N -3.50 1.06 0.13 0.90 1.01 -1.24 -1.25 121.20 118.31 3m8r s ILE 823 Ca 0.16 -0.51 -0.26 0.00 0.00 0.00 0.00 60.65 60.05 3m8r s ILE 823 Cb 0.04 -0.93 0.07 0.00 0.01 0.00 0.00 42.46 41.65 3m8r s ILE 823 CO -0.01 0.32 1.01 -0.83 0.00 0.00 0.00 174.94 175.43 3m8r s GLY 824 N 0.18 -0.24 0.35 6.18 0.00 -0.72 -4.50 107.32 108.58 3m8r s GLY 824 Ca -0.04 0.18 0.26 0.00 0.00 0.00 0.00 44.72 45.11 3m8r s GLY 824 CO 0.01 0.12 1.74 0.83 0.00 0.00 0.00 173.10 175.80 3m8r h GLU 825 N 2.00 0.00 -4.25 2.90 4.39 -1.92 -0.44 114.58 117.27 3m8r h GLU 825 Ca -0.25 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.31 3m8r h GLU 825 Cb 1.23 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.73 3m8r h GLU 825 CO 0.26 0.00 -0.62 0.16 -1.16 0.00 0.00 179.01 177.65 3m8r s ASP 826 N -5.26 0.37 0.25 1.42 1.47 -1.26 -1.35 116.67 112.31 3m8r s ASP 826 Ca 0.07 -1.04 -0.06 0.00 1.18 0.00 0.00 52.55 52.71 3m8r s ASP 826 Cb 0.09 0.26 0.29 0.00 -0.34 0.00 0.00 42.92 43.21 3m8r s ASP 826 CO 0.59 -0.67 1.90 -0.25 0.68 0.00 0.00 175.17 177.41 3m8r h TRP 827 N 2.98 1.16 -0.06 2.11 2.91 -1.13 -0.98 115.95 122.95 3m8r h TRP 827 Ca -0.34 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 59.70 3m8r h TRP 827 Cb 1.17 -0.39 -0.00 0.00 -0.51 0.00 0.00 29.16 29.43 3m8r h TRP 827 CO 0.48 0.68 0.02 1.25 -1.03 0.00 0.00 178.44 179.84 3m8r h LEU 828 N 1.21 0.07 -1.53 0.65 5.85 -1.85 -2.98 115.31 116.74 3m8r h LEU 828 Ca 0.37 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 3m8r h LEU 828 Cb -0.03 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 3m8r h LEU 828 CO -0.11 0.20 0.20 0.28 -0.34 0.00 0.00 178.44 178.66 3m8r h SER 829 N -0.05 0.46 0.38 1.25 0.02 -1.74 -1.82 113.55 112.04 3m8r h SER 829 Ca 0.02 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3m8r h SER 829 Cb 0.14 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.57 3m8r h SER 829 CO -0.00 0.38 0.00 0.00 -1.14 0.00 0.00 176.83 176.07 3m8r n ALA 830 N -2.48 2.19 -0.01 3.77 0.00 -0.45 -2.60 120.51 120.93 3m8r n ALA 830 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3m8r n ALA 830 Cb 0.10 -1.37 -0.04 0.00 0.00 0.00 0.00 19.45 18.14 3m8r n ALA 830 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3m8r n LYS 831 N -1.25 1.61 0.00 0.00 5.02 -0.86 -2.90 118.16 119.78 3m8r n LYS 831 Ca 0.11 -0.03 0.10 0.00 -2.02 0.00 0.00 58.31 56.48 3m8r n LYS 831 Cb 0.17 -1.13 0.58 0.00 -0.02 0.00 0.00 35.03 34.63 3m8r n LYS 831 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27