#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p6i s PHE 300 N 0.00 2.29 -0.10 -0.14 0.40 -1.26 -4.73 117.98 114.43 1p6i s PHE 300 Ca 0.00 -0.42 0.01 0.00 -0.60 0.00 0.00 56.93 55.92 1p6i s PHE 300 Cb 0.00 -1.42 0.02 0.00 0.51 0.00 0.00 43.02 42.13 1p6i s PHE 300 CO 0.00 0.05 -0.11 -0.51 0.70 0.00 0.00 175.22 175.35 1p6i s LEU 301 N -0.94 1.44 -0.01 -0.37 1.43 -0.99 -4.94 118.68 114.30 1p6i s LEU 301 Ca 0.11 -0.33 -0.15 0.00 -1.03 0.00 0.00 54.13 52.73 1p6i s LEU 301 Cb -0.10 -0.89 -0.06 0.00 0.03 0.00 0.00 46.19 45.17 1p6i s LEU 301 CO 0.01 -0.05 0.42 -0.54 0.23 0.00 0.00 176.35 176.42 1p6i s LYS 302 N 1.25 3.97 -0.02 1.70 -0.14 -1.26 0.44 119.74 125.69 1p6i s LYS 302 Ca -0.03 0.43 0.06 0.00 -1.36 0.00 0.00 55.97 55.06 1p6i s LYS 302 Cb -0.14 -3.24 -0.01 0.00 -1.68 0.00 0.00 37.83 32.76 1p6i s LYS 302 CO -0.04 0.64 -0.19 0.14 -0.76 0.00 0.00 175.35 175.15 1p6i s VAL 303 N -0.92 1.47 0.06 3.17 -7.23 0.06 -4.96 120.40 112.04 1p6i s VAL 303 Ca 0.24 -0.79 0.08 0.00 -1.81 0.00 0.00 61.98 59.70 1p6i s VAL 303 Cb -0.17 -1.22 -0.03 0.00 0.56 0.00 0.00 36.38 35.52 1p6i s VAL 303 CO 0.13 0.42 -0.22 -0.75 -0.31 0.00 0.00 175.10 174.37 1p6i s LYS 304 N -0.40 1.40 -0.39 4.82 2.20 -1.26 -0.08 119.74 126.02 1p6i s LYS 304 Ca 0.06 -1.04 -0.13 0.00 -0.36 0.00 0.00 55.97 54.50 1p6i s LYS 304 Cb -0.07 -1.58 0.02 0.00 -1.51 0.00 0.00 37.83 34.69 1p6i s LYS 304 CO -0.01 0.40 0.25 1.21 -0.36 0.00 0.00 175.35 176.84 1p6i s ASN 305 N -1.40 5.93 0.00 1.43 3.84 -0.27 -1.57 114.94 122.91 1p6i s ASN 305 Ca 0.08 -0.94 0.12 0.00 0.21 0.00 0.00 52.86 52.33 1p6i s ASN 305 Cb -0.09 -2.09 0.72 0.00 -0.55 0.00 0.00 41.25 39.24 1p6i s ASN 305 CO 0.03 -0.42 1.16 0.79 -2.79 0.00 0.00 177.10 175.87 1p6i n TRP 306 N 5.08 0.00 -0.05 0.43 7.02 -0.30 0.39 117.44 130.01 1p6i n TRP 306 Ca -0.11 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.34 1p6i n TRP 306 Cb 0.47 0.00 -0.12 0.00 -2.42 0.00 0.00 31.31 29.24 1p6i n TRP 306 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1p6i n GLU 307 N -0.86 1.21 -0.00 -0.99 2.13 -1.26 -4.64 120.64 116.23 1p6i n GLU 307 Ca 0.09 -0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.86 1p6i n GLU 307 Cb 0.04 -1.38 -0.00 0.00 0.27 0.00 0.00 31.44 30.37 1p6i n GLU 307 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1p6i n THR 308 N -2.40 0.00 -0.75 6.31 -2.24 -1.04 -4.99 114.28 109.18 1p6i n THR 308 Ca -0.17 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 1p6i n THR 308 Cb 0.81 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 70.03 1p6i n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1p6i n ASP 309 N -1.01 0.00 -4.68 3.42 8.00 0.16 -4.95 116.55 117.49 1p6i n ASP 309 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 1p6i n ASP 309 Cb 0.00 -1.01 -0.03 0.00 -0.02 0.00 0.00 41.12 40.06 1p6i n ASP 309 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1p6i s VAL 310 N -2.72 3.03 -0.12 2.53 1.01 -1.24 -4.73 120.40 118.16 1p6i s VAL 310 Ca 0.00 0.38 -0.00 0.00 0.00 0.00 0.00 61.98 62.36 1p6i s VAL 310 Cb 0.00 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 1p6i s VAL 310 CO 0.00 -0.01 -0.10 -0.69 0.00 0.00 0.00 175.10 174.30 1p6i s VAL 311 N 3.09 3.36 0.17 2.92 1.01 -1.26 -1.11 120.40 128.58 1p6i s VAL 311 Ca 0.77 -0.57 0.10 0.00 0.00 0.00 0.00 61.98 62.28 1p6i s VAL 311 Cb -0.40 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 1p6i s VAL 311 CO 0.34 0.54 -0.15 -0.76 0.00 0.00 0.00 175.10 175.06 1p6i s LEU 312 N 0.05 2.76 -0.13 3.92 1.43 0.88 -4.94 118.68 122.65 1p6i s LEU 312 Ca -0.03 -0.65 -0.00 0.00 -1.03 0.00 0.00 54.13 52.41 1p6i s LEU 312 Cb -0.14 -1.50 -0.02 0.00 0.03 0.00 0.00 46.19 44.57 1p6i s LEU 312 CO 0.04 0.13 -0.12 -0.89 0.23 0.00 0.00 176.35 175.73 1p6i s THR 313 N -1.56 3.16 -0.18 5.49 2.01 -1.26 -0.77 115.64 122.53 1p6i s THR 313 Ca 0.22 -0.63 -0.03 0.00 0.31 0.00 0.00 61.69 61.56 1p6i s THR 313 Cb -0.09 -2.33 -0.02 0.00 0.01 0.00 0.00 72.50 70.08 1p6i s THR 313 CO 0.12 0.53 -0.06 -0.62 -0.69 0.00 0.00 174.62 173.90 1p6i s ASP 314 N 0.28 4.41 -0.00 3.53 -1.08 0.17 -4.64 116.67 119.33 1p6i s ASP 314 Ca -0.09 -0.29 0.02 0.00 -0.52 0.00 0.00 52.55 51.67 1p6i s ASP 314 Cb -0.15 -1.73 -0.04 0.00 -1.46 0.00 0.00 42.92 39.54 1p6i s ASP 314 CO 0.05 0.08 0.05 0.35 0.52 0.00 0.00 175.17 176.22 1p6i n THR 315 N 4.11 0.01 -0.27 1.71 -2.24 -0.10 -2.34 114.28 115.16 1p6i n THR 315 Ca -0.18 -0.06 0.12 0.00 -2.27 0.00 0.00 64.05 61.67 1p6i n THR 315 Cb 0.52 0.34 0.38 0.00 -2.10 0.00 0.00 70.33 69.47 1p6i n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1p6i h LEU 316 N 0.00 0.65 -1.96 3.22 6.46 -1.45 -1.04 115.31 121.20 1p6i h LEU 316 Ca -0.00 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 1p6i h LEU 316 Cb 0.19 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.03 1p6i h LEU 316 CO 0.00 0.33 0.21 1.12 -0.62 0.00 0.00 178.44 179.47 1p6i h HIS 317 N 0.69 0.00 0.00 1.25 2.07 -1.83 -0.29 115.15 117.04 1p6i h HIS 317 Ca 0.45 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.92 1p6i h HIS 317 Cb 0.73 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.71 1p6i h HIS 317 CO -0.00 0.00 -0.25 -0.07 -3.07 0.00 0.00 177.93 174.54 1p6i h LEU 318 N 0.00 0.00 -1.60 6.12 3.38 -1.53 -1.73 115.31 119.95 1p6i h LEU 318 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1p6i h LEU 318 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1p6i h LEU 318 CO 0.00 0.25 0.00 0.29 0.09 0.00 0.00 178.44 179.07 1p6i n LYS 319 N -4.13 2.13 -2.75 1.13 5.02 -0.12 -4.85 118.16 114.59 1p6i n LYS 319 Ca -0.02 -1.42 -0.42 0.00 -2.02 0.00 0.00 58.31 54.43 1p6i n LYS 319 Cb 0.31 -1.43 -0.03 0.00 -0.02 0.00 0.00 35.03 33.86 1p6i n LYS 319 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1p6i s SER 320 N -0.86 7.11 -0.19 4.39 0.15 -0.65 -4.89 113.70 118.76 1p6i s SER 320 Ca 0.26 1.37 -0.09 0.00 0.70 0.00 0.00 55.95 58.19 1p6i s SER 320 Cb 0.15 -2.52 -0.09 0.00 -1.71 0.00 0.00 66.02 61.86 1p6i s SER 320 CO 0.15 -0.48 -0.24 1.07 1.20 0.00 0.00 173.24 174.94 1p6i n THR 321 N 4.79 1.05 -1.26 6.45 5.66 -1.24 -5.02 114.28 124.71 1p6i n THR 321 Ca 0.08 -0.28 -0.34 0.00 -3.05 0.00 0.00 64.05 60.46 1p6i n THR 321 Cb 0.48 -1.72 0.11 0.00 -1.55 0.00 0.00 70.33 67.66 1p6i n THR 321 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1p6i s LEU 322 N -6.97 3.24 0.78 1.09 1.43 -1.26 -5.01 118.68 111.98 1p6i s LEU 322 Ca -0.27 2.43 -0.12 0.00 -1.03 0.00 0.00 54.13 55.14 1p6i s LEU 322 Cb 0.10 -4.60 0.06 0.00 0.03 0.00 0.00 46.19 41.78 1p6i s LEU 322 CO 0.34 -2.52 1.12 -1.61 0.23 0.00 0.00 176.35 173.92 1p6i s GLU 323 N -3.97 2.26 -0.02 1.70 2.02 -1.26 -4.60 118.70 114.83 1p6i s GLU 323 Ca 0.75 0.38 0.07 0.00 0.02 0.00 0.00 54.97 56.20 1p6i s GLU 323 Cb -0.31 -1.96 -0.11 0.00 0.10 0.00 0.00 34.13 31.85 1p6i s GLU 323 CO 0.48 -1.44 0.14 0.25 0.02 0.00 0.00 175.26 174.70 1p6i n THR 324 N -3.27 0.09 0.00 3.63 -2.24 -1.26 -4.79 114.28 106.44 1p6i n THR 324 Ca 0.07 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1p6i n THR 324 Cb 0.58 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 1p6i n THR 324 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1p6i n GLY 325 N 2.17 2.72 3.88 3.38 0.00 -1.26 -4.91 105.19 111.17 1p6i n GLY 325 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 1p6i n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p6i s THR 327 N -2.61 0.63 -1.53 0.00 -4.23 -0.07 -4.99 115.64 102.84 1p6i s THR 327 Ca 0.51 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 59.14 1p6i s THR 327 Cb -0.10 -2.58 0.24 0.00 1.34 0.00 0.00 72.50 71.40 1p6i s THR 327 CO 0.38 0.00 1.28 -0.62 -0.54 0.00 0.00 174.62 175.12 1p6i n GLU 328 N -0.63 0.21 0.00 3.99 4.71 -1.26 -2.41 120.64 125.25 1p6i n GLU 328 Ca -0.01 0.14 0.03 0.00 -0.01 0.00 0.00 57.16 57.30 1p6i n GLU 328 Cb 0.66 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.56 1p6i n GLU 328 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1p6i n HIS 329 N -1.24 0.00 -3.67 -0.32 8.25 -1.26 -5.03 115.22 111.95 1p6i n HIS 329 Ca 0.06 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.40 1p6i n HIS 329 Cb 0.09 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.11 1p6i n HIS 329 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1p6i s ILE 330 N -1.45 -0.00 -0.22 1.59 2.07 -1.01 -5.14 121.20 117.03 1p6i s ILE 330 Ca 0.02 0.01 -0.08 0.00 -1.41 0.00 0.00 60.65 59.19 1p6i s ILE 330 Cb 0.04 -0.81 -0.04 0.00 0.13 0.00 0.00 42.46 41.79 1p6i s ILE 330 CO 0.21 0.00 0.09 0.00 -1.91 0.00 0.00 174.94 173.33 1p6i n MET 332 N 4.27 2.05 0.33 0.00 0.00 -1.26 -4.74 117.12 117.77 1p6i n MET 332 Ca -0.16 -3.13 0.19 0.00 0.00 0.00 0.00 57.70 54.61 1p6i n MET 332 Cb 0.52 -1.93 1.04 0.00 0.00 0.00 0.00 33.22 32.85 1p6i n MET 332 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1p6i h GLY 333 N 1.09 0.00 -1.65 3.03 0.00 -1.92 -1.46 103.07 102.15 1p6i h GLY 333 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1p6i h GLY 333 CO 0.59 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.99 1p6i n SER 334 N -2.96 3.29 -4.66 0.19 3.41 -1.26 -4.80 113.62 106.83 1p6i n SER 334 Ca -0.03 -2.11 -0.42 0.00 -0.26 0.00 0.00 58.87 56.06 1p6i n SER 334 Cb 0.19 -0.32 -0.04 0.00 -0.26 0.00 0.00 64.21 63.78 1p6i n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1p6i s ILE 335 N -1.20 4.83 0.15 -1.33 -1.09 -0.55 -4.96 121.20 117.04 1p6i s ILE 335 Ca 0.31 1.72 -0.21 0.00 -2.23 0.00 0.00 60.65 60.25 1p6i s ILE 335 Cb 0.17 -4.18 0.03 0.00 -1.58 0.00 0.00 42.46 36.90 1p6i s ILE 335 CO 0.19 -0.04 1.66 -0.03 -1.23 0.00 0.00 174.94 175.49 1p6i h MET 336 N 7.41 -0.14 -2.25 2.79 4.05 -1.92 -3.38 114.93 121.50 1p6i h MET 336 Ca -0.26 0.01 -0.48 0.00 -0.28 0.00 0.00 59.70 58.68 1p6i h MET 336 Cb 1.11 0.03 -0.35 0.00 -0.80 0.00 0.00 31.60 31.59 1p6i h MET 336 CO 0.87 -0.09 -0.79 -0.48 0.23 0.00 0.00 176.91 176.64 1p6i s LEU 337 N -10.50 0.55 -0.10 3.39 2.34 -1.26 -5.17 118.68 107.92 1p6i s LEU 337 Ca -0.14 -2.07 0.01 0.00 0.06 0.00 0.00 54.13 51.99 1p6i s LEU 337 Cb 0.12 0.05 0.17 0.00 -0.56 0.00 0.00 46.19 45.97 1p6i s LEU 337 CO 0.69 -0.26 1.17 -0.81 -1.06 0.00 0.00 176.35 176.08 1p6i n PRO 338 N 3.90 1.38 -0.61 1.48 -0.04 -1.26 -5.22 135.00 134.63 1p6i n PRO 338 Ca 0.15 -0.73 -0.24 0.00 -0.04 0.00 0.00 63.50 62.63 1p6i n PRO 338 Cb 0.42 -1.33 -0.04 0.00 -0.04 0.00 0.00 33.50 32.51 1p6i n PRO 338 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1p6i n VAL 348 N 0.11 0.00 -2.79 0.52 3.14 -1.26 -5.03 118.33 113.02 1p6i n VAL 348 Ca 0.14 0.00 -0.26 0.00 -2.96 0.00 0.00 64.34 61.25 1p6i n VAL 348 Cb 0.75 -0.18 0.00 0.00 -1.06 0.00 0.00 33.84 33.35 1p6i n VAL 348 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1p6i s ARG 349 N 1.30 3.39 0.12 1.45 0.52 -1.26 -5.10 118.95 119.37 1p6i s ARG 349 Ca 0.40 -0.01 0.02 0.00 -0.52 0.00 0.00 55.73 55.61 1p6i s ARG 349 Cb -0.55 -2.44 -0.04 0.00 0.52 0.00 0.00 34.95 32.45 1p6i s ARG 349 CO 0.29 -0.21 0.25 0.99 0.02 0.00 0.00 175.30 176.64 1p6i s THR 350 N -2.67 5.30 0.48 0.02 2.01 -1.26 -4.98 115.64 114.54 1p6i s THR 350 Ca 0.47 -0.60 0.25 0.00 0.31 0.00 0.00 61.69 62.12 1p6i s THR 350 Cb -0.10 -3.67 0.44 0.00 0.01 0.00 0.00 72.50 69.17 1p6i s THR 350 CO 0.42 -0.01 1.87 0.11 -0.69 0.00 0.00 174.62 176.33 1p6i h LYS 351 N 2.50 0.18 0.62 4.92 1.57 -1.94 -2.13 116.57 122.29 1p6i h LYS 351 Ca -0.47 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.27 1p6i h LYS 351 Cb 1.18 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.45 1p6i h LYS 351 CO 0.71 0.12 -0.38 0.22 -0.57 0.00 0.00 179.45 179.55 1p6i h ASP 352 N 0.18 -0.96 -0.13 0.86 3.58 -1.96 -2.93 116.42 115.05 1p6i h ASP 352 Ca 0.45 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.95 1p6i h ASP 352 Cb 1.48 0.28 0.00 0.00 1.72 0.00 0.00 39.33 42.81 1p6i h ASP 352 CO -0.09 -0.58 0.00 0.00 -2.88 0.00 0.00 179.24 175.68 1p6i n GLN 353 N -4.79 1.52 -0.12 0.28 0.00 -0.92 -4.08 117.38 109.28 1p6i n GLN 353 Ca -0.11 -0.56 -0.25 0.00 0.00 0.00 0.00 57.00 56.07 1p6i n GLN 353 Cb 0.39 -1.35 -0.11 0.00 0.00 0.00 0.00 30.24 29.17 1p6i n GLN 353 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1p6i n LEU 354 N 0.01 2.26 -0.30 2.61 7.94 -0.85 -4.13 117.00 124.54 1p6i n LEU 354 Ca 0.05 0.22 -0.04 0.00 -1.11 0.00 0.00 56.01 55.13 1p6i n LEU 354 Cb 0.26 -0.89 0.10 0.00 0.53 0.00 0.00 43.42 43.41 1p6i n LEU 354 CO 0.05 0.64 1.13 0.15 -1.11 0.00 0.00 177.39 178.25 1p6i h PHE 355 N -0.66 1.20 -0.72 1.96 3.57 -1.70 0.15 116.94 120.75 1p6i h PHE 355 Ca -0.60 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 60.84 1p6i h PHE 355 Cb 1.68 -0.37 -0.03 0.00 2.79 0.00 0.00 35.95 40.01 1p6i h PHE 355 CO -0.02 0.86 0.40 -1.00 -2.23 0.00 0.00 178.31 176.32 1p6i h PRO 356 N 1.19 0.99 -0.33 6.41 0.13 -1.80 0.86 132.00 139.46 1p6i h PRO 356 Ca 0.29 -0.10 -0.14 0.00 -0.87 0.00 0.00 66.00 65.18 1p6i h PRO 356 Cb 0.10 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 31.02 1p6i h PRO 356 CO -0.04 0.72 -0.36 -0.07 -0.23 0.00 0.00 178.00 178.03 1p6i h LEU 357 N 1.00 0.80 -0.25 1.56 3.38 -1.57 -0.83 115.31 119.40 1p6i h LEU 357 Ca 0.25 -0.35 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 1p6i h LEU 357 Cb 0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1p6i h LEU 357 CO -0.04 1.08 -0.10 0.00 0.09 0.00 0.00 178.44 179.46 1p6i h ALA 358 N 0.96 0.35 -0.29 1.53 0.00 0.30 -2.57 119.26 119.54 1p6i h ALA 358 Ca 0.06 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1p6i h ALA 358 Cb 0.90 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1p6i h ALA 358 CO 0.08 0.20 0.19 -0.22 0.00 0.00 0.00 179.25 179.50 1p6i h LYS 359 N 0.24 0.39 -0.40 0.00 3.64 0.83 0.68 116.57 121.96 1p6i h LYS 359 Ca 0.06 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.48 1p6i h LYS 359 Cb 0.60 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.28 1p6i h LYS 359 CO 0.03 0.26 0.07 0.93 -2.27 0.00 0.00 179.45 178.47 1p6i h GLU 360 N 0.40 0.19 0.28 1.90 5.08 -1.12 0.17 114.58 121.47 1p6i h GLU 360 Ca 0.11 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1p6i h GLU 360 Cb -0.05 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1p6i h GLU 360 CO -0.02 0.12 -0.13 0.35 -1.00 0.00 0.00 179.01 178.33 1p6i h PHE 361 N 0.19 -0.34 -0.73 4.33 3.57 -1.11 -1.60 116.94 121.25 1p6i h PHE 361 Ca 0.19 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.72 1p6i h PHE 361 Cb 0.24 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.05 1p6i h PHE 361 CO -0.21 -0.10 0.48 -0.07 -2.23 0.00 0.00 178.31 176.18 1p6i h LEU 362 N -0.53 0.75 -0.46 0.59 3.38 -0.61 0.53 115.31 118.95 1p6i h LEU 362 Ca -0.04 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1p6i h LEU 362 Cb 0.40 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1p6i h LEU 362 CO 0.06 0.51 0.18 0.44 0.09 0.00 0.00 178.44 179.73 1p6i h ASP 363 N 0.87 0.64 -0.54 -0.43 3.32 -0.53 0.17 116.42 119.92 1p6i h ASP 363 Ca 0.29 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 1p6i h ASP 363 Cb 0.08 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1p6i h ASP 363 CO -0.09 0.64 0.20 1.56 -1.72 0.00 0.00 179.24 179.83 1p6i h GLN 364 N 0.60 0.81 0.32 3.56 4.20 -0.10 0.16 115.11 124.66 1p6i h GLN 364 Ca 0.15 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1p6i h GLN 364 Cb 0.20 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1p6i h GLN 364 CO -0.01 0.72 -0.15 -0.92 -0.67 0.00 0.00 178.83 177.80 1p6i h TYR 365 N 0.73 -0.39 -0.01 2.96 3.20 0.35 -0.77 116.97 123.04 1p6i h TYR 365 Ca 0.18 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 1p6i h TYR 365 Cb 0.22 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 1p6i h TYR 365 CO 0.01 -0.15 -0.17 1.88 -1.64 0.00 0.00 178.16 178.10 1p6i h TYR 366 N -0.58 0.02 -0.37 -3.82 -1.99 -0.60 -1.37 116.97 108.26 1p6i h TYR 366 Ca -0.04 -0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.54 1p6i h TYR 366 Cb 0.42 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.14 1p6i h TYR 366 CO -0.02 0.19 -0.34 1.03 -0.00 0.00 0.00 178.16 179.02 1p6i h SER 367 N 0.02 0.88 -0.22 3.88 0.87 -0.78 0.28 113.55 118.46 1p6i h SER 367 Ca 0.00 -0.37 -0.04 0.00 -1.23 0.00 0.00 61.79 60.15 1p6i h SER 367 Cb 0.31 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 1p6i h SER 367 CO 0.02 1.13 0.03 0.77 -0.53 0.00 0.00 176.83 178.25 1p6i h SER 368 N 0.70 0.44 -0.47 6.23 4.64 -0.03 -1.59 113.55 123.48 1p6i h SER 368 Ca 0.07 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1p6i h SER 368 Cb 0.90 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1p6i h SER 368 CO 0.08 0.49 0.00 2.30 -0.87 0.00 0.00 176.83 178.83 1p6i n ILE 369 N -4.32 0.87 -3.60 0.95 -5.35 -0.94 -4.93 119.36 102.04 1p6i n ILE 369 Ca 0.01 -0.70 -0.21 0.00 -0.27 0.00 0.00 62.75 61.59 1p6i n ILE 369 Cb 0.21 0.20 0.06 0.00 -1.74 0.00 0.00 39.64 38.37 1p6i n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1p6i n LYS 370 N 0.83 -5.96 -0.80 6.28 5.02 -0.60 -4.90 118.16 118.02 1p6i n LYS 370 Ca 0.17 0.73 0.03 0.00 -2.02 0.00 0.00 58.31 57.21 1p6i n LYS 370 Cb 0.50 -5.55 0.04 0.00 -0.02 0.00 0.00 35.03 29.99 1p6i n LYS 370 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1p6i n ARG 371 N -4.33 0.26 -1.99 1.97 5.12 0.94 -5.03 116.66 113.59 1p6i n ARG 371 Ca -0.23 -1.68 -0.42 0.00 -1.93 0.00 0.00 57.85 53.59 1p6i n ARG 371 Cb 0.65 -0.52 -0.03 0.00 -1.16 0.00 0.00 32.46 31.40 1p6i n ARG 371 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1p6i s PHE 372 N -0.55 3.09 0.00 -1.55 5.36 -1.02 -1.91 117.98 121.40 1p6i s PHE 372 Ca 0.18 0.78 0.00 0.00 -0.96 0.00 0.00 56.93 56.92 1p6i s PHE 372 Cb 0.19 -3.86 0.00 0.00 -0.34 0.00 0.00 43.02 39.01 1p6i s PHE 372 CO -0.06 -3.06 0.00 0.41 -1.46 0.00 0.00 175.22 171.05 1p6i n GLY 373 N 3.36 1.88 3.55 13.12 0.00 -1.26 -5.01 105.19 120.83 1p6i n GLY 373 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1p6i n GLY 373 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1p6i s SER 374 N -3.37 1.35 0.22 1.61 1.04 -0.80 -4.75 113.70 109.00 1p6i s SER 374 Ca 0.00 1.27 0.01 0.00 0.48 0.00 0.00 55.95 57.71 1p6i s SER 374 Cb 0.00 -1.97 0.20 0.00 0.10 0.00 0.00 66.02 64.35 1p6i s SER 374 CO 0.00 -3.94 1.54 0.50 0.98 0.00 0.00 173.24 172.32 1p6i h LYS 375 N -2.44 0.37 -0.38 4.02 3.64 -1.96 -0.09 116.57 119.73 1p6i h LYS 375 Ca -0.58 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 58.55 1p6i h LYS 375 Cb 1.34 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.17 1p6i h LYS 375 CO 0.52 0.84 0.19 0.00 -2.27 0.00 0.00 179.45 178.73 1p6i h ALA 376 N 1.10 0.49 0.01 5.00 0.00 -1.91 0.32 119.26 124.27 1p6i h ALA 376 Ca -0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1p6i h ALA 376 Cb 1.10 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1p6i h ALA 376 CO 0.10 0.04 -0.00 1.25 0.00 0.00 0.00 179.25 180.64 1p6i h HIS 377 N 0.47 -0.01 -0.61 0.00 -0.00 -1.72 -0.52 115.15 112.76 1p6i h HIS 377 Ca 0.13 -0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.44 1p6i h HIS 377 Cb 0.11 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.49 1p6i h HIS 377 CO -0.02 0.05 0.16 0.52 -0.00 0.00 0.00 177.93 178.64 1p6i h MET 378 N -0.06 0.97 -0.31 5.26 2.07 -0.80 -1.60 114.93 120.46 1p6i h MET 378 Ca -0.00 -0.23 -0.02 0.00 -2.07 0.00 0.00 59.70 57.38 1p6i h MET 378 Cb 0.06 -0.13 -0.01 0.00 -1.87 0.00 0.00 31.60 29.64 1p6i h MET 378 CO 0.00 0.88 0.13 -0.44 1.07 0.00 0.00 176.91 178.56 1p6i h ASP 379 N 0.89 0.42 -0.64 1.22 3.32 -0.25 -1.59 116.42 119.79 1p6i h ASP 379 Ca 0.19 -0.15 0.06 0.00 0.02 0.00 0.00 57.03 57.15 1p6i h ASP 379 Cb 0.34 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.73 1p6i h ASP 379 CO 0.00 0.46 0.35 -0.09 -1.72 0.00 0.00 179.24 178.23 1p6i h ARG 380 N 0.36 0.62 -0.43 3.56 9.65 -0.92 0.66 114.38 127.88 1p6i h ARG 380 Ca 0.11 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 1p6i h ARG 380 Cb 0.16 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.58 1p6i h ARG 380 CO -0.01 0.41 0.24 -0.07 2.80 0.00 0.00 179.97 183.34 1p6i h LEU 381 N 0.64 0.53 -0.44 3.80 3.38 -1.01 0.66 115.31 122.87 1p6i h LEU 381 Ca 0.29 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 1p6i h LEU 381 Cb 0.20 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1p6i h LEU 381 CO -0.19 0.45 0.08 -0.08 0.09 0.00 0.00 178.44 178.79 1p6i h GLU 382 N 0.56 0.72 -0.27 1.13 4.81 -0.52 0.11 114.58 121.11 1p6i h GLU 382 Ca 0.15 -0.19 0.05 0.00 -0.13 0.00 0.00 59.36 59.24 1p6i h GLU 382 Cb 0.03 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 1p6i h GLU 382 CO -0.03 0.74 -0.01 1.49 -0.73 0.00 0.00 179.01 180.47 1p6i h GLU 383 N 0.58 0.07 -0.35 1.92 4.81 0.67 0.12 114.58 122.40 1p6i h GLU 383 Ca 0.13 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 1p6i h GLU 383 Cb 0.36 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1p6i h GLU 383 CO 0.01 0.04 0.09 0.28 -0.73 0.00 0.00 179.01 178.70 1p6i h VAL 384 N 0.07 1.22 0.01 0.32 2.07 -0.70 -0.39 116.25 118.85 1p6i h VAL 384 Ca 0.13 -0.74 0.03 0.00 0.82 0.00 0.00 66.70 66.94 1p6i h VAL 384 Cb 0.18 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 1p6i h VAL 384 CO -0.23 0.25 -0.21 -1.13 0.02 0.00 0.00 177.57 176.27 1p6i h ASN 385 N 0.41 -0.63 -0.64 0.57 -1.24 -0.33 0.26 115.58 113.98 1p6i h ASN 385 Ca 0.11 0.09 0.02 0.00 0.71 0.00 0.00 56.30 57.23 1p6i h ASN 385 Cb 0.29 0.26 -0.04 0.00 0.73 0.00 0.00 38.32 39.57 1p6i h ASN 385 CO 0.00 -0.28 0.41 0.11 -1.29 0.00 0.00 177.43 176.37 1p6i h LYS 386 N -0.35 0.78 -0.57 6.67 1.57 -0.66 -1.21 116.57 122.81 1p6i h LYS 386 Ca 0.06 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1p6i h LYS 386 Cb 0.42 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 1p6i h LYS 386 CO -0.19 0.52 0.35 1.49 -0.57 0.00 0.00 179.45 181.05 1p6i h GLU 387 N 0.81 0.78 -0.03 3.15 4.81 -0.47 0.40 114.58 124.02 1p6i h GLU 387 Ca 0.25 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1p6i h GLU 387 Cb -0.02 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.19 1p6i h GLU 387 CO -0.08 0.55 0.01 0.82 -0.73 0.00 0.00 179.01 179.58 1p6i h ILE 388 N 0.77 1.07 -0.37 2.32 2.04 -0.10 1.04 117.51 124.30 1p6i h ILE 388 Ca 0.21 -0.21 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 1p6i h ILE 388 Cb -0.03 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1p6i h ILE 388 CO -0.04 0.06 -0.02 -0.08 0.00 0.00 0.00 178.15 178.07 1p6i h GLU 389 N -0.04 0.58 0.05 2.37 4.81 -1.00 1.96 114.58 123.32 1p6i h GLU 389 Ca 0.01 -0.14 -0.27 0.00 -0.13 0.00 0.00 59.36 58.83 1p6i h GLU 389 Cb 0.08 -0.08 0.02 0.00 0.63 0.00 0.00 28.75 29.40 1p6i h GLU 389 CO -0.00 0.62 -1.11 1.03 -0.73 0.00 0.00 179.01 178.82 1p6i h SER 390 N 0.55 0.79 0.00 1.04 0.87 0.20 -3.39 113.55 113.61 1p6i h SER 390 Ca 0.11 -0.68 0.00 0.00 -1.23 0.00 0.00 61.79 59.99 1p6i h SER 390 Cb 0.39 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1p6i h SER 390 CO 0.02 1.49 0.00 0.35 -0.53 0.00 0.00 176.83 178.15 1p6i n THR 391 N -3.78 0.02 0.00 2.23 -2.24 0.36 -5.00 114.28 105.86 1p6i n THR 391 Ca -0.11 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1p6i n THR 391 Cb 0.92 1.22 0.00 0.00 -2.10 0.00 0.00 70.33 70.37 1p6i n THR 391 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1p6i n SER 392 N -0.01 0.00 -0.39 3.42 7.64 0.66 -4.91 113.62 120.04 1p6i n SER 392 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1p6i n SER 392 Cb 0.06 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 1p6i n SER 392 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1p6i n THR 393 N -1.99 0.00 -3.49 0.44 5.66 -1.25 -4.63 114.28 109.03 1p6i n THR 393 Ca 0.00 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.88 1p6i n THR 393 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 1p6i n THR 393 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1p6i s TYR 394 N -1.89 -0.47 -0.12 1.09 -0.85 -1.26 -2.51 117.35 111.33 1p6i s TYR 394 Ca 0.00 0.48 -0.06 0.00 -0.52 0.00 0.00 57.07 56.98 1p6i s TYR 394 Cb 0.00 0.51 -0.04 0.00 0.38 0.00 0.00 41.96 42.81 1p6i s TYR 394 CO 0.00 -0.63 0.08 -0.65 -1.52 0.00 0.00 175.55 172.83 1p6i s GLN 395 N -2.68 3.42 0.30 -3.49 -1.52 -1.26 -5.05 119.66 109.39 1p6i s GLN 395 Ca -0.00 -0.26 -0.21 0.00 -1.95 0.00 0.00 55.36 52.94 1p6i s GLN 395 Cb -0.01 -3.08 -0.09 0.00 -0.22 0.00 0.00 33.01 29.61 1p6i s GLN 395 CO -0.05 0.64 0.83 -0.51 -0.25 0.00 0.00 175.29 175.95 1p6i s LEU 396 N -0.67 4.24 0.73 2.90 1.43 -1.26 -5.05 118.68 121.00 1p6i s LEU 396 Ca 0.12 1.57 -0.11 0.00 -1.03 0.00 0.00 54.13 54.69 1p6i s LEU 396 Cb -0.12 -3.94 0.03 0.00 0.03 0.00 0.00 46.19 42.19 1p6i s LEU 396 CO 0.02 -0.09 1.07 -0.54 0.23 0.00 0.00 176.35 177.04 1p6i s LYS 397 N -2.33 2.62 0.22 1.70 -0.14 -1.26 -4.84 119.74 115.71 1p6i s LYS 397 Ca 0.50 0.97 -0.09 0.00 -1.36 0.00 0.00 55.97 55.99 1p6i s LYS 397 Cb -0.15 -1.95 0.24 0.00 -1.68 0.00 0.00 37.83 34.28 1p6i s LYS 397 CO 0.20 -1.33 1.84 -0.44 -0.76 0.00 0.00 175.35 174.86 1p6i h ASP 398 N -0.89 0.69 -0.77 2.83 5.19 -1.99 -1.50 116.42 119.99 1p6i h ASP 398 Ca -0.44 0.01 0.01 0.00 -0.62 0.00 0.00 57.03 55.99 1p6i h ASP 398 Cb 1.22 -0.13 -0.04 0.00 0.18 0.00 0.00 39.33 40.56 1p6i h ASP 398 CO 0.56 0.46 0.51 0.71 -3.12 0.00 0.00 179.24 178.36 1p6i h THR 399 N 0.83 1.19 -0.15 0.35 1.35 -2.00 -1.23 112.91 113.25 1p6i h THR 399 Ca 0.31 -0.35 -0.09 0.00 -0.55 0.00 0.00 66.41 65.72 1p6i h THR 399 Cb 0.11 0.06 -0.01 0.00 -1.73 0.00 0.00 68.15 66.58 1p6i h THR 399 CO -0.15 0.19 -0.32 -0.33 -0.25 0.00 0.00 175.52 174.66 1p6i h GLU 400 N 1.03 0.30 -0.01 4.72 5.08 -1.77 -1.01 114.58 122.92 1p6i h GLU 400 Ca 0.29 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1p6i h GLU 400 Cb -0.11 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 1p6i h GLU 400 CO -0.07 0.59 -0.00 1.25 -1.00 0.00 0.00 179.01 179.79 1p6i h LEU 401 N 0.26 0.01 -0.30 1.33 5.85 -0.67 0.16 115.31 121.95 1p6i h LEU 401 Ca 0.03 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1p6i h LEU 401 Cb 0.70 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1p6i h LEU 401 CO 0.05 0.34 0.20 0.40 -0.34 0.00 0.00 178.44 179.09 1p6i h ILE 402 N -0.32 1.08 -0.58 4.05 2.04 -1.12 0.51 117.51 123.18 1p6i h ILE 402 Ca 0.00 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 1p6i h ILE 402 Cb 0.33 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1p6i h ILE 402 CO 0.00 0.08 0.34 0.22 0.00 0.00 0.00 178.15 178.79 1p6i h TYR 403 N 0.41 0.78 -0.46 1.37 3.20 -1.15 -1.86 116.97 119.26 1p6i h TYR 403 Ca 0.11 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 1p6i h TYR 403 Cb -0.04 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 37.96 1p6i h TYR 403 CO -0.05 0.54 0.15 0.78 -1.64 0.00 0.00 178.16 177.94 1p6i h GLY 404 N 0.78 0.76 0.94 1.82 0.00 -0.28 -1.93 103.07 105.15 1p6i h GLY 404 Ca 0.21 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 1p6i h GLY 404 CO -0.04 0.41 0.08 0.00 0.00 0.00 0.00 176.54 176.99 1p6i h ALA 405 N 1.00 0.17 -0.94 3.60 0.00 -0.74 -1.34 119.26 121.02 1p6i h ALA 405 Ca 0.15 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1p6i h ALA 405 Cb 0.25 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1p6i h ALA 405 CO -0.01 -0.29 0.62 0.87 0.00 0.00 0.00 179.25 180.44 1p6i h LYS 406 N 0.13 1.19 0.00 0.00 1.57 -1.30 -2.53 116.57 115.63 1p6i h LYS 406 Ca 0.05 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 1p6i h LYS 406 Cb 0.07 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 1p6i h LYS 406 CO -0.01 0.79 -0.57 0.45 -0.57 0.00 0.00 179.45 179.55 1p6i h HIS 407 N 1.23 0.00 -0.57 -1.35 3.86 -1.02 -0.50 115.15 116.80 1p6i h HIS 407 Ca 0.36 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.51 1p6i h HIS 407 Cb -0.07 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.37 1p6i h HIS 407 CO -0.00 0.57 0.13 0.00 0.86 0.00 0.00 177.93 179.49 1p6i h ALA 408 N 1.43 1.16 -0.13 2.45 0.00 -0.84 0.23 119.26 123.58 1p6i h ALA 408 Ca -0.01 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1p6i h ALA 408 Cb 1.15 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1p6i h ALA 408 CO 0.07 0.57 -0.14 2.35 0.00 0.00 0.00 179.25 182.10 1p6i h TRP 409 N 0.84 0.38 -0.59 0.00 7.01 -1.20 -2.09 115.95 120.31 1p6i h TRP 409 Ca 0.18 -0.12 0.10 0.00 2.11 0.00 0.00 58.89 61.16 1p6i h TRP 409 Cb 0.32 -0.08 -0.04 0.00 -2.10 0.00 0.00 29.16 27.26 1p6i h TRP 409 CO 0.02 0.73 0.40 -0.09 -2.79 0.00 0.00 178.44 176.71 1p6i h ARG 410 N -0.08 0.38 -0.00 2.65 2.43 -0.58 -1.67 114.38 117.51 1p6i h ARG 410 Ca 0.02 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1p6i h ARG 410 Cb 0.68 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1p6i h ARG 410 CO 0.03 0.25 -0.29 0.09 -1.51 0.00 0.00 179.97 178.54 1p6i n ASN 411 N -4.47 0.75 -4.55 -3.80 3.02 0.78 -4.83 115.26 102.15 1p6i n ASN 411 Ca 0.10 -0.60 -0.36 0.00 -0.03 0.00 0.00 54.58 53.68 1p6i n ASN 411 Cb 0.38 0.11 -0.03 0.00 -0.61 0.00 0.00 39.78 39.62 1p6i n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1p6i s ALA 412 N -2.66 2.07 -0.12 5.41 0.00 -0.63 -4.71 121.76 121.13 1p6i s ALA 412 Ca 0.21 -0.84 0.26 0.00 0.00 0.00 0.00 51.96 51.59 1p6i s ALA 412 Cb 0.19 -4.36 1.33 0.00 0.00 0.00 0.00 23.12 20.28 1p6i s ALA 412 CO 0.56 -4.09 1.80 0.66 0.00 0.00 0.00 175.76 174.70 1p6i h SER 413 N 14.18 0.00 -0.00 0.00 4.64 -1.88 -2.12 113.55 128.36 1p6i h SER 413 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1p6i h SER 413 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1p6i h SER 413 CO 1.22 0.00 -0.06 0.54 -0.87 0.00 0.00 176.83 177.66 1p6i n ARG 414 N -2.43 1.88 -3.40 4.77 1.74 -1.26 -0.19 116.66 117.77 1p6i n ARG 414 Ca -0.01 -1.39 -0.40 0.00 -0.77 0.00 0.00 57.85 55.28 1p6i n ARG 414 Cb 0.10 -1.47 -0.09 0.00 -1.02 0.00 0.00 32.46 29.98 1p6i n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1p6i n VAL 416 N 5.19 0.05 -0.04 0.00 3.14 -1.26 -3.72 118.33 121.68 1p6i n VAL 416 Ca -0.09 -0.03 0.07 0.00 -2.96 0.00 0.00 64.34 61.33 1p6i n VAL 416 Cb 0.50 -0.25 0.27 0.00 -1.06 0.00 0.00 33.84 33.29 1p6i n VAL 416 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1p6i n GLY 417 N 1.48 2.04 0.01 7.55 0.00 -1.26 -4.43 105.19 110.59 1p6i n GLY 417 Ca 0.06 -0.63 0.02 0.00 0.00 0.00 0.00 46.02 45.47 1p6i n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p6i n ARG 418 N 0.77 0.01 0.32 1.61 1.74 -1.24 -2.05 116.66 117.82 1p6i n ARG 418 Ca 0.19 0.48 0.19 0.00 -0.77 0.00 0.00 57.85 57.94 1p6i n ARG 418 Cb 0.69 -1.54 1.06 0.00 -1.02 0.00 0.00 32.46 31.65 1p6i n ARG 418 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1p6i h ILE 419 N 0.00 0.26 -0.01 0.55 2.10 -1.90 -0.80 117.51 117.71 1p6i h ILE 419 Ca 0.00 -0.04 0.00 0.00 1.08 0.00 0.00 64.86 65.90 1p6i h ILE 419 Cb 0.03 1.03 0.00 0.00 -1.09 0.00 0.00 36.82 36.79 1p6i h ILE 419 CO 0.00 0.01 -0.02 0.00 -1.08 0.00 0.00 178.15 177.05 1p6i n GLN 420 N -3.44 1.52 -0.30 2.19 1.13 -0.87 -4.63 117.38 112.98 1p6i n GLN 420 Ca -0.03 -0.83 0.14 0.00 -1.94 0.00 0.00 57.00 54.34 1p6i n GLN 420 Cb 0.09 -1.48 0.31 0.00 0.11 0.00 0.00 30.24 29.27 1p6i n GLN 420 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 1p6i h TRP 421 N 2.02 0.52 0.00 1.08 5.08 -1.34 -0.39 115.95 122.91 1p6i h TRP 421 Ca 0.00 0.04 0.00 0.00 1.08 0.00 0.00 58.89 60.01 1p6i h TRP 421 Cb 0.46 -0.09 0.00 0.00 -3.00 0.00 0.00 29.16 26.53 1p6i h TRP 421 CO 0.00 -0.14 0.00 0.66 -1.28 0.00 0.00 178.44 177.68 1p6i h SER 422 N 0.29 0.00 -3.68 0.11 4.64 -1.84 -3.33 113.55 109.75 1p6i h SER 422 Ca 0.57 0.00 -0.77 0.00 -0.47 0.00 0.00 61.79 61.12 1p6i h SER 422 Cb 1.13 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.93 1p6i h SER 422 CO -0.60 0.00 0.15 -0.54 -0.87 0.00 0.00 176.83 174.98 1p6i s LYS 423 N -3.69 3.67 -0.05 4.77 3.01 -0.16 -4.98 119.74 122.32 1p6i s LYS 423 Ca 0.00 -2.92 0.01 0.00 -1.01 0.00 0.00 55.97 52.05 1p6i s LYS 423 Cb 0.10 -4.32 0.02 0.00 -1.01 0.00 0.00 37.83 32.62 1p6i s LYS 423 CO 0.48 -1.25 -0.04 -1.17 0.51 0.00 0.00 175.35 173.88 1p6i s LEU 424 N -0.71 1.24 -0.29 3.17 2.96 -1.25 -4.62 118.68 119.19 1p6i s LEU 424 Ca 0.25 -0.12 -0.19 0.00 -0.22 0.00 0.00 54.13 53.84 1p6i s LEU 424 Cb -0.11 -0.43 -0.02 0.00 0.50 0.00 0.00 46.19 46.14 1p6i s LEU 424 CO -0.09 -0.07 0.59 -1.58 -1.32 0.00 0.00 176.35 173.88 1p6i s GLN 425 N 1.04 3.96 -0.25 1.98 2.00 -0.47 -4.96 119.66 122.95 1p6i s GLN 425 Ca -0.09 0.32 -0.10 0.00 -2.00 0.00 0.00 55.36 53.48 1p6i s GLN 425 Cb -0.14 -3.70 -0.05 0.00 0.80 0.00 0.00 33.01 29.92 1p6i s GLN 425 CO -0.01 -0.49 0.15 0.08 -0.50 0.00 0.00 175.29 174.52 1p6i s VAL 426 N 2.50 5.10 -0.28 1.34 1.01 -1.26 -0.87 120.40 127.95 1p6i s VAL 426 Ca 0.24 0.09 -0.09 0.00 0.00 0.00 0.00 61.98 62.22 1p6i s VAL 426 Cb -0.15 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 1p6i s VAL 426 CO 0.11 0.32 0.12 -0.36 0.00 0.00 0.00 175.10 175.29 1p6i s PHE 427 N 1.37 3.14 -0.61 5.22 0.08 0.11 -4.97 117.98 122.32 1p6i s PHE 427 Ca 0.07 -0.35 -0.25 0.00 0.12 0.00 0.00 56.93 56.52 1p6i s PHE 427 Cb -0.15 -2.31 0.04 0.00 -0.57 0.00 0.00 43.02 40.04 1p6i s PHE 427 CO 0.07 -0.34 1.06 0.34 -0.10 0.00 0.00 175.22 176.24 1p6i s ASP 428 N 1.65 6.30 -0.31 1.36 -1.08 -1.26 -0.91 116.67 122.41 1p6i s ASP 428 Ca 0.06 -0.40 0.09 0.00 -0.52 0.00 0.00 52.55 51.78 1p6i s ASP 428 Cb -0.16 -2.48 0.55 0.00 -1.46 0.00 0.00 42.92 39.38 1p6i s ASP 428 CO 0.06 -1.43 1.56 0.00 0.52 0.00 0.00 175.17 175.89 1p6i n ALA 429 N 8.05 4.42 0.69 3.66 0.00 0.35 -4.66 120.51 133.02 1p6i n ALA 429 Ca 0.02 -2.96 0.09 0.00 0.00 0.00 0.00 53.44 50.59 1p6i n ALA 429 Cb 0.48 -0.90 0.40 0.00 0.00 0.00 0.00 19.45 19.43 1p6i n ALA 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1p6i n ARG 430 N -1.01 0.10 0.00 0.00 1.74 -1.04 -1.97 116.66 114.48 1p6i n ARG 430 Ca 0.37 0.17 0.13 0.00 -0.77 0.00 0.00 57.85 57.76 1p6i n ARG 430 Cb 1.16 -1.50 0.41 0.00 -1.02 0.00 0.00 32.46 31.50 1p6i n ARG 430 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1p6i n ASP 431 N -1.42 1.82 -4.76 0.55 5.75 -1.26 -4.49 116.55 112.74 1p6i n ASP 431 Ca 0.06 -1.57 -0.41 0.00 -0.01 0.00 0.00 54.79 52.86 1p6i n ASP 431 Cb 0.18 0.02 -0.03 0.00 -1.03 0.00 0.00 41.12 40.26 1p6i n ASP 431 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1p6i n THR 433 N 1.16 0.00 -4.27 0.00 -2.24 -1.26 -4.75 114.28 102.92 1p6i n THR 433 Ca 0.01 -0.09 -0.15 0.00 -2.27 0.00 0.00 64.05 61.55 1p6i n THR 433 Cb 0.42 0.51 -0.10 0.00 -2.10 0.00 0.00 70.33 69.06 1p6i n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1p6i s THR 434 N -1.10 0.71 0.23 4.28 -4.23 -1.26 -4.51 115.64 109.75 1p6i s THR 434 Ca 0.00 -1.99 -0.08 0.00 -1.18 0.00 0.00 61.69 58.43 1p6i s THR 434 Cb 0.00 -2.27 0.20 0.00 1.34 0.00 0.00 72.50 71.77 1p6i s THR 434 CO 0.00 -0.35 1.89 0.00 -0.54 0.00 0.00 174.62 175.62 1p6i h ALA 435 N 2.59 1.10 -0.88 3.99 0.00 -1.89 0.32 119.26 124.49 1p6i h ALA 435 Ca -0.37 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1p6i h ALA 435 Cb 1.22 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1p6i h ALA 435 CO 0.62 0.52 0.50 0.45 0.00 0.00 0.00 179.25 181.35 1p6i h HIS 436 N 1.18 1.19 -0.66 0.00 3.86 -1.96 0.22 115.15 118.98 1p6i h HIS 436 Ca 0.31 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.49 1p6i h HIS 436 Cb -0.10 -0.39 -0.03 0.00 1.06 0.00 0.00 27.41 27.95 1p6i h HIS 436 CO -0.01 0.81 0.34 0.78 0.86 0.00 0.00 177.93 180.72 1p6i h GLY 437 N 1.24 1.01 0.98 2.45 0.00 -1.64 -1.23 103.07 105.88 1p6i h GLY 437 Ca 0.31 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 1p6i h GLY 437 CO -0.05 0.46 0.24 -0.33 0.00 0.00 0.00 176.54 176.86 1p6i h MET 438 N 0.91 0.75 -0.25 4.80 0.00 0.28 -1.68 114.93 119.74 1p6i h MET 438 Ca 0.23 -0.11 0.04 0.00 0.00 0.00 0.00 59.70 59.86 1p6i h MET 438 Cb 0.08 -0.13 -0.04 0.00 0.00 0.00 0.00 31.60 31.50 1p6i h MET 438 CO -0.03 0.63 -0.02 0.35 0.00 0.00 0.00 176.91 177.83 1p6i h PHE 439 N 0.69 -0.06 -0.29 -0.22 3.04 -0.16 0.11 116.94 120.05 1p6i h PHE 439 Ca 0.18 0.02 0.04 0.00 3.98 0.00 0.00 57.97 62.18 1p6i h PHE 439 Cb 0.13 0.06 -0.04 0.00 2.56 0.00 0.00 35.95 38.67 1p6i h PHE 439 CO -0.00 -0.07 0.08 -0.97 -2.02 0.00 0.00 178.31 175.33 1p6i h ASN 440 N 0.05 0.06 -0.77 0.41 -1.24 -0.96 0.77 115.58 113.89 1p6i h ASN 440 Ca 0.12 0.04 0.03 0.00 0.71 0.00 0.00 56.30 57.20 1p6i h ASN 440 Cb 0.16 0.04 -0.05 0.00 0.73 0.00 0.00 38.32 39.21 1p6i h ASN 440 CO -0.22 0.07 0.48 1.88 -1.29 0.00 0.00 177.43 178.35 1p6i h TYR 441 N 0.20 0.91 -0.39 0.67 -1.99 -0.67 -1.60 116.97 114.09 1p6i h TYR 441 Ca 0.13 0.02 -0.13 0.00 2.00 0.00 0.00 58.73 60.76 1p6i h TYR 441 Cb 0.12 -0.30 -0.01 0.00 2.00 0.00 0.00 36.73 38.54 1p6i h TYR 441 CO -0.15 0.51 -0.26 0.82 -0.00 0.00 0.00 178.16 179.08 1p6i h ILE 442 N 0.94 1.27 -0.56 -2.88 2.04 -0.15 -1.29 117.51 116.88 1p6i h ILE 442 Ca 0.31 -1.40 -0.02 0.00 1.00 0.00 0.00 64.86 64.75 1p6i h ILE 442 Cb 0.03 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 1p6i h ILE 442 CO -0.12 0.47 0.27 0.00 0.00 0.00 0.00 178.15 178.77 1p6i h ASN 444 N 0.75 0.23 0.07 0.00 2.35 -1.07 -0.84 115.58 117.07 1p6i h ASN 444 Ca 0.19 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1p6i h ASN 444 Cb 0.12 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1p6i h ASN 444 CO -0.02 0.37 -0.04 -0.74 -1.65 0.00 0.00 177.43 175.35 1p6i h HIS 445 N 0.23 -0.09 -0.80 1.19 2.76 -0.55 -1.52 115.15 116.38 1p6i h HIS 445 Ca 0.05 -0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.24 1p6i h HIS 445 Cb 0.35 0.03 -0.05 0.00 1.55 0.00 0.00 27.41 29.30 1p6i h HIS 445 CO 0.01 0.33 0.51 0.28 -1.30 0.00 0.00 177.93 177.76 1p6i h VAL 446 N -0.55 1.13 -0.30 5.26 2.07 -0.68 0.21 116.25 123.39 1p6i h VAL 446 Ca -0.01 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 67.11 1p6i h VAL 446 Cb 0.47 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1p6i h VAL 446 CO 0.02 0.18 -0.02 0.50 0.02 0.00 0.00 177.57 178.27 1p6i h LYS 447 N 1.00 0.54 0.17 1.57 3.64 -1.17 -0.44 116.57 121.88 1p6i h LYS 447 Ca 0.31 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1p6i h LYS 447 Cb -0.01 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1p6i h LYS 447 CO -0.11 0.70 -0.08 -0.92 -2.27 0.00 0.00 179.45 176.77 1p6i h TYR 448 N 0.33 -0.21 -0.78 1.91 3.20 -0.92 -1.83 116.97 118.67 1p6i h TYR 448 Ca 0.08 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 1p6i h TYR 448 Cb 0.47 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.77 1p6i h TYR 448 CO 0.04 -0.04 0.31 0.00 -1.64 0.00 0.00 178.16 176.83 1p6i h ALA 449 N 0.48 1.07 -0.29 1.82 0.00 -0.58 -3.03 119.26 118.73 1p6i h ALA 449 Ca -0.02 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1p6i h ALA 449 Cb 0.26 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1p6i h ALA 449 CO 0.04 0.66 -0.04 1.15 0.00 0.00 0.00 179.25 181.06 1p6i h THR 450 N 1.14 1.27 -6.78 0.00 2.02 -1.04 0.94 112.91 110.45 1p6i h THR 450 Ca 0.26 -1.02 -0.56 0.00 0.77 0.00 0.00 66.41 65.86 1p6i h THR 450 Cb 0.22 1.36 -0.16 0.00 -1.74 0.00 0.00 68.15 67.83 1p6i h THR 450 CO -0.02 0.33 -0.91 -3.20 0.37 0.00 0.00 175.52 172.09 1p6i n ASN 451 N -4.54 -0.56 -2.51 4.18 4.05 -0.69 -0.59 115.26 114.59 1p6i n ASN 451 Ca -0.03 -1.11 -0.15 0.00 0.45 0.00 0.00 54.58 53.74 1p6i n ASN 451 Cb 0.29 -2.43 -0.00 0.00 1.23 0.00 0.00 39.78 38.86 1p6i n ASN 451 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1p6i n LYS 452 N -4.43 -2.31 0.00 1.20 5.02 -1.26 -2.02 118.16 114.36 1p6i n LYS 452 Ca -0.22 0.66 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 1p6i n LYS 452 Cb 0.64 -5.29 0.00 0.00 -0.02 0.00 0.00 35.03 30.36 1p6i n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1p6i n GLY 453 N -0.88 2.43 3.18 0.72 0.00 0.24 -4.93 105.19 105.94 1p6i n GLY 453 Ca -0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.43 1p6i n GLY 453 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1p6i n ASN 454 N 0.00 5.53 -4.64 1.61 4.05 -0.85 -0.66 115.26 120.29 1p6i n ASN 454 Ca 0.00 -3.12 -0.44 0.00 0.45 0.00 0.00 54.58 51.47 1p6i n ASN 454 Cb 0.00 -1.44 -0.01 0.00 1.23 0.00 0.00 39.78 39.56 1p6i n ASN 454 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1p6i n LEU 455 N 3.54 2.56 -4.06 1.20 4.32 -1.23 -4.50 117.00 118.83 1p6i n LEU 455 Ca 0.32 1.19 -0.26 0.00 -0.02 0.00 0.00 56.01 57.24 1p6i n LEU 455 Cb 0.38 -1.37 -0.17 0.00 -1.62 0.00 0.00 43.42 40.64 1p6i n LEU 455 CO 0.66 -0.99 -0.49 -0.13 -1.22 0.00 0.00 177.39 175.22 1p6i s ARG 456 N -1.65 1.98 0.30 3.23 0.52 0.32 -5.01 118.95 118.64 1p6i s ARG 456 Ca 0.58 -0.50 -0.29 0.00 -0.52 0.00 0.00 55.73 54.99 1p6i s ARG 456 Cb -0.65 -1.60 -0.11 0.00 0.52 0.00 0.00 34.95 33.11 1p6i s ARG 456 CO 0.61 0.04 1.47 -1.12 0.02 0.00 0.00 175.30 176.32 1p6i s SER 457 N 0.65 6.54 0.13 0.23 0.01 -1.26 -4.41 113.70 115.59 1p6i s SER 457 Ca -0.14 2.81 -0.18 0.00 1.31 0.00 0.00 55.95 59.75 1p6i s SER 457 Cb -0.16 -2.64 0.04 0.00 0.21 0.00 0.00 66.02 63.48 1p6i s SER 457 CO 0.04 -0.76 0.45 0.00 0.41 0.00 0.00 173.24 173.38 1p6i s ALA 458 N -0.38 -1.11 -0.07 1.44 0.00 0.13 -1.37 121.76 120.39 1p6i s ALA 458 Ca 0.58 0.11 -0.06 0.00 0.00 0.00 0.00 51.96 52.59 1p6i s ALA 458 Cb -0.44 0.73 0.02 0.00 0.00 0.00 0.00 23.12 23.43 1p6i s ALA 458 CO 0.50 -0.67 0.19 -1.50 0.00 0.00 0.00 175.76 174.28 1p6i s ILE 459 N -3.73 -0.01 -0.16 0.00 2.07 -0.05 0.10 121.20 119.43 1p6i s ILE 459 Ca 0.02 0.03 -0.00 0.00 -1.41 0.00 0.00 60.65 59.29 1p6i s ILE 459 Cb 0.01 -0.27 -0.00 0.00 0.13 0.00 0.00 42.46 42.33 1p6i s ILE 459 CO -0.12 0.01 -0.15 -0.89 -1.91 0.00 0.00 174.94 171.89 1p6i s THR 460 N 0.30 2.68 -0.30 4.00 2.01 -0.07 0.05 115.64 124.33 1p6i s THR 460 Ca -0.02 -0.76 -0.04 0.00 0.31 0.00 0.00 61.69 61.18 1p6i s THR 460 Cb -0.03 -2.14 0.03 0.00 0.01 0.00 0.00 72.50 70.37 1p6i s THR 460 CO -0.01 0.51 0.03 -0.63 -0.69 0.00 0.00 174.62 173.83 1p6i s ILE 461 N 0.90 3.41 0.74 1.82 1.01 -0.09 -2.96 121.20 126.03 1p6i s ILE 461 Ca -0.04 -1.06 -0.07 0.00 0.00 0.00 0.00 60.65 59.48 1p6i s ILE 461 Cb -0.15 -2.84 0.08 0.00 0.01 0.00 0.00 42.46 39.56 1p6i s ILE 461 CO -0.01 -0.00 1.05 -0.36 0.00 0.00 0.00 174.94 175.62 1p6i s PHE 462 N 1.37 2.63 0.28 3.97 0.08 -0.65 -0.49 117.98 125.16 1p6i s PHE 462 Ca -0.01 0.36 -0.29 0.00 0.12 0.00 0.00 56.93 57.11 1p6i s PHE 462 Cb -0.18 -3.29 -0.14 0.00 -0.57 0.00 0.00 43.02 38.84 1p6i s PHE 462 CO -0.00 -1.59 1.10 -2.30 -0.10 0.00 0.00 175.22 172.32 1p6i n PRO 463 N -3.02 1.48 -1.14 0.24 -0.02 -1.25 -4.68 135.00 126.60 1p6i n PRO 463 Ca 0.10 0.52 -0.30 0.00 -2.02 0.00 0.00 63.50 61.80 1p6i n PRO 463 Cb 0.60 -1.96 0.15 0.00 -0.02 0.00 0.00 33.50 32.28 1p6i n PRO 463 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1p6i s GLN 464 N -1.36 1.01 0.36 -0.52 -2.07 -1.26 -4.52 119.66 111.30 1p6i s GLN 464 Ca 0.61 0.81 -0.27 0.00 -1.82 0.00 0.00 55.36 54.68 1p6i s GLN 464 Cb -0.70 -1.78 -0.09 0.00 -1.09 0.00 0.00 33.01 29.35 1p6i s GLN 464 CO 0.58 -2.41 1.22 0.50 -1.32 0.00 0.00 175.29 173.86 1p6i s ARG 465 N -4.90 4.23 0.00 9.60 3.52 0.12 -4.88 118.95 126.64 1p6i s ARG 465 Ca 0.64 1.99 0.00 0.00 -0.13 0.00 0.00 55.73 58.23 1p6i s ARG 465 Cb -0.19 -2.90 0.00 0.00 -1.56 0.00 0.00 34.95 30.31 1p6i s ARG 465 CO 0.57 -0.21 0.00 0.25 -0.81 0.00 0.00 175.30 175.10 1p6i n THR 466 N 0.49 0.00 0.28 4.11 -2.24 -1.26 -4.74 114.28 110.92 1p6i n THR 466 Ca 0.02 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.89 1p6i n THR 466 Cb 0.44 -0.66 0.15 0.00 -2.10 0.00 0.00 70.33 68.16 1p6i n THR 466 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1p6i n ASP 467 N -1.11 2.94 0.00 3.42 5.75 -1.26 -4.85 116.55 121.45 1p6i n ASP 467 Ca 0.00 -1.86 0.00 0.00 -0.01 0.00 0.00 54.79 52.92 1p6i n ASP 467 Cb 0.00 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 39.92 1p6i n ASP 467 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1p6i n GLY 468 N 1.06 1.52 0.53 6.12 0.00 -1.26 -4.78 105.19 108.38 1p6i n GLY 468 Ca 0.14 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.22 1p6i n GLY 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1p6i n LYS 469 N -2.00 0.96 -0.95 1.61 5.02 -1.26 -4.54 118.16 116.99 1p6i n LYS 469 Ca 0.00 -1.34 0.05 0.00 -2.02 0.00 0.00 58.31 55.00 1p6i n LYS 469 Cb 0.00 -1.25 0.11 0.00 -0.02 0.00 0.00 35.03 33.87 1p6i n LYS 469 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1p6i n HIS 470 N 0.71 0.00 -1.71 2.13 8.25 -1.26 -4.43 115.22 118.91 1p6i n HIS 470 Ca 0.08 -0.96 -0.38 0.00 -0.26 0.00 0.00 57.72 56.20 1p6i n HIS 470 Cb 0.33 -0.19 0.05 0.00 1.12 0.00 0.00 29.99 31.30 1p6i n HIS 470 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1p6i n ASP 471 N -0.38 2.08 -4.72 0.41 8.00 -1.26 -2.30 116.55 118.38 1p6i n ASP 471 Ca 0.12 0.91 -0.35 0.00 0.71 0.00 0.00 54.79 56.18 1p6i n ASP 471 Cb 0.89 -1.52 -0.08 0.00 -0.02 0.00 0.00 41.12 40.38 1p6i n ASP 471 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1p6i s PHE 472 N -1.35 3.35 -0.04 1.24 0.40 -1.26 0.24 117.98 120.56 1p6i s PHE 472 Ca 0.74 0.25 -0.07 0.00 -0.60 0.00 0.00 56.93 57.26 1p6i s PHE 472 Cb -0.42 -2.01 0.01 0.00 0.51 0.00 0.00 43.02 41.11 1p6i s PHE 472 CO 0.47 0.38 0.16 1.03 0.70 0.00 0.00 175.22 177.96 1p6i s ARG 473 N -0.20 0.33 -0.32 0.44 1.81 0.00 -3.00 118.95 118.01 1p6i s ARG 473 Ca 0.09 -0.02 -0.09 0.00 -1.72 0.00 0.00 55.73 53.98 1p6i s ARG 473 Cb -0.12 0.15 0.00 0.00 -0.45 0.00 0.00 34.95 34.53 1p6i s ARG 473 CO 0.01 -0.07 0.15 0.08 -0.68 0.00 0.00 175.30 174.80 1p6i s VAL 474 N -0.54 4.47 0.04 3.52 1.01 -1.26 -0.83 120.40 126.81 1p6i s VAL 474 Ca -0.06 -0.58 0.32 0.00 0.00 0.00 0.00 61.98 61.65 1p6i s VAL 474 Cb -0.04 -3.34 0.37 0.00 0.00 0.00 0.00 36.38 33.37 1p6i s VAL 474 CO 0.01 -0.00 1.92 -0.50 0.00 0.00 0.00 175.10 176.53 1p6i h TRP 475 N 8.35 0.00 -4.00 5.22 4.06 -1.52 -3.42 115.95 124.63 1p6i h TRP 475 Ca -0.30 0.00 -0.51 0.00 2.06 0.00 0.00 58.89 60.14 1p6i h TRP 475 Cb 1.13 0.00 0.06 0.00 -1.00 0.00 0.00 29.16 29.35 1p6i h TRP 475 CO 0.62 0.02 0.48 -0.80 -3.56 0.00 0.00 178.44 175.20 1p6i s ASN 476 N -5.80 6.17 0.18 -3.49 -0.87 -1.26 -4.92 114.94 104.94 1p6i s ASN 476 Ca 0.02 2.29 0.10 0.00 -1.57 0.00 0.00 52.86 53.70 1p6i s ASN 476 Cb 0.09 -2.60 -0.08 0.00 -0.02 0.00 0.00 41.25 38.63 1p6i s ASN 476 CO 0.57 -0.92 1.35 0.77 -2.57 0.00 0.00 177.10 176.30 1p6i h SER 477 N 2.02 0.00 -4.18 -1.22 4.64 -1.89 -3.33 113.55 109.60 1p6i h SER 477 Ca -0.49 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.62 1p6i h SER 477 Cb 1.25 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.08 1p6i h SER 477 CO 0.60 0.82 -0.69 -1.10 -0.87 0.00 0.00 176.83 175.59 1p6i s GLN 478 N -2.84 0.13 0.33 4.77 -0.21 -1.26 -0.64 119.66 119.94 1p6i s GLN 478 Ca 0.02 -0.19 0.05 0.00 0.02 0.00 0.00 55.36 55.25 1p6i s GLN 478 Cb 0.09 0.05 0.68 0.00 1.00 0.00 0.00 33.01 34.83 1p6i s GLN 478 CO 0.79 -0.02 1.90 -0.07 -2.12 0.00 0.00 175.29 175.77 1p6i h LEU 479 N 5.59 0.77 -7.99 2.90 3.38 -1.05 -3.39 115.31 115.52 1p6i h LEU 479 Ca -0.27 0.02 -0.61 0.00 0.09 0.00 0.00 57.88 57.11 1p6i h LEU 479 Cb 1.21 -0.14 -0.35 0.00 0.09 0.00 0.00 40.66 41.47 1p6i h LEU 479 CO 0.47 0.45 -0.84 -0.63 0.09 0.00 0.00 178.44 177.98 1p6i s ILE 480 N -5.79 1.65 0.09 1.22 1.01 -1.26 -4.86 121.20 113.26 1p6i s ILE 480 Ca -0.11 -0.71 -0.21 0.00 0.00 0.00 0.00 60.65 59.63 1p6i s ILE 480 Cb 0.21 -1.52 0.05 0.00 0.01 0.00 0.00 42.46 41.21 1p6i s ILE 480 CO 0.79 0.47 0.50 -0.13 0.00 0.00 0.00 174.94 176.57 1p6i s ARG 481 N 1.18 1.08 0.10 2.79 0.52 -1.26 -4.78 118.95 118.58 1p6i s ARG 481 Ca -0.01 -0.40 -0.16 0.00 -0.52 0.00 0.00 55.73 54.63 1p6i s ARG 481 Cb -0.14 0.49 -0.07 0.00 0.52 0.00 0.00 34.95 35.75 1p6i s ARG 481 CO -0.06 -0.42 0.54 0.71 0.02 0.00 0.00 175.30 176.09 1p6i s TYR 482 N -3.03 3.70 0.64 -0.53 1.51 -1.26 -0.95 117.35 117.43 1p6i s TYR 482 Ca -0.02 1.13 -0.17 0.00 -1.01 0.00 0.00 57.07 57.00 1p6i s TYR 482 Cb -0.00 -2.40 -0.01 0.00 -0.11 0.00 0.00 41.96 39.44 1p6i s TYR 482 CO -0.06 0.52 1.17 0.00 -1.11 0.00 0.00 175.55 176.06 1p6i s ALA 483 N -1.29 2.42 0.00 3.71 0.00 0.17 -4.37 121.76 122.41 1p6i s ALA 483 Ca 0.33 0.82 0.07 0.00 0.00 0.00 0.00 51.96 53.18 1p6i s ALA 483 Cb -0.17 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.52 1p6i s ALA 483 CO 0.18 -1.35 -0.23 0.20 0.00 0.00 0.00 175.76 174.56 1p6i s GLY 484 N -2.01 1.16 -0.06 0.00 0.00 -1.23 -1.83 107.32 103.35 1p6i s GLY 484 Ca 0.73 -1.04 -0.00 0.00 0.00 0.00 0.00 44.72 44.40 1p6i s GLY 484 CO 0.38 -0.90 -0.02 -0.19 0.00 0.00 0.00 173.10 172.37 1p6i s TYR 485 N -0.63 0.71 -0.15 1.90 1.51 0.11 -4.16 117.35 116.64 1p6i s TYR 485 Ca 0.09 -0.20 -0.26 0.00 -1.01 0.00 0.00 57.07 55.69 1p6i s TYR 485 Cb -0.09 -0.75 -0.02 0.00 -0.11 0.00 0.00 41.96 40.99 1p6i s TYR 485 CO 0.00 -0.28 0.85 0.21 -1.11 0.00 0.00 175.55 175.22 1p6i s LYS 486 N 1.55 4.33 0.28 -0.62 2.47 -1.26 -0.63 119.74 125.86 1p6i s LYS 486 Ca -0.01 1.07 -0.10 0.00 -1.56 0.00 0.00 55.97 55.36 1p6i s LYS 486 Cb -0.13 -3.56 -0.07 0.00 -1.46 0.00 0.00 37.83 32.61 1p6i s LYS 486 CO -0.03 -0.30 0.62 -0.65 0.16 0.00 0.00 175.35 175.15 1p6i s GLN 487 N 2.03 3.81 0.63 4.03 -1.52 0.60 -4.97 119.66 124.27 1p6i s GLN 487 Ca 0.40 0.34 0.35 0.00 -1.95 0.00 0.00 55.36 54.50 1p6i s GLN 487 Cb -0.17 -2.56 1.98 0.00 -0.22 0.00 0.00 33.01 32.04 1p6i s GLN 487 CO 0.14 0.21 2.22 -1.00 -0.25 0.00 0.00 175.29 176.61 1p6i h PRO 488 N 2.15 0.00 -0.01 2.91 0.13 -1.96 0.28 132.00 135.50 1p6i h PRO 488 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1p6i h PRO 488 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1p6i h PRO 488 CO 0.67 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.04 1p6i n ASP 489 N -3.43 0.14 0.00 1.44 3.85 -1.26 -4.88 116.55 112.41 1p6i n ASP 489 Ca -0.02 -1.30 0.00 0.00 -0.71 0.00 0.00 54.79 52.77 1p6i n ASP 489 Cb 0.18 -0.01 0.00 0.00 -1.35 0.00 0.00 41.12 39.95 1p6i n ASP 489 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1p6i n GLY 490 N 0.89 2.00 3.84 6.12 0.00 0.99 -5.05 105.19 113.98 1p6i n GLY 490 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1p6i n GLY 490 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1p6i s SER 491 N -2.17 4.45 -0.06 1.61 1.04 -1.26 -4.74 113.70 112.57 1p6i s SER 491 Ca 0.00 1.04 0.04 0.00 0.48 0.00 0.00 55.95 57.51 1p6i s SER 491 Cb 0.00 -1.69 -0.00 0.00 0.10 0.00 0.00 66.02 64.43 1p6i s SER 491 CO 0.00 -1.97 -0.18 -0.89 0.98 0.00 0.00 173.24 171.18 1p6i s THR 492 N -3.34 1.57 -0.15 2.02 2.01 -1.26 -0.29 115.64 116.20 1p6i s THR 492 Ca 0.61 -0.77 -0.06 0.00 0.31 0.00 0.00 61.69 61.78 1p6i s THR 492 Cb -0.13 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 70.98 1p6i s THR 492 CO 0.52 0.45 0.06 -0.22 -0.69 0.00 0.00 174.62 174.74 1p6i s LEU 493 N 0.19 3.88 0.00 4.42 2.96 0.20 -4.94 118.68 125.39 1p6i s LEU 493 Ca -0.09 0.17 0.00 0.00 -0.22 0.00 0.00 54.13 54.00 1p6i s LEU 493 Cb -0.14 -1.95 0.00 0.00 0.50 0.00 0.00 46.19 44.60 1p6i s LEU 493 CO 0.04 0.27 0.00 0.61 -1.32 0.00 0.00 176.35 175.95 1p6i n GLY 494 N 2.92 -0.35 3.53 7.98 0.00 -1.26 0.05 105.19 118.06 1p6i n GLY 494 Ca -0.18 -1.30 -0.43 0.00 0.00 0.00 0.00 46.02 44.11 1p6i n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1p6i s ASP 495 N -4.00 6.36 0.54 1.61 -1.08 -0.76 -4.80 116.67 114.54 1p6i s ASP 495 Ca 0.00 -0.22 0.26 0.00 -0.52 0.00 0.00 52.55 52.08 1p6i s ASP 495 Cb 0.00 -2.34 1.43 0.00 -1.46 0.00 0.00 42.92 40.54 1p6i s ASP 495 CO 0.00 -0.81 1.99 -0.65 0.52 0.00 0.00 175.17 176.22 1p6i h PRO 496 N 8.87 0.00 0.00 4.34 0.11 -1.81 -1.59 132.00 141.92 1p6i h PRO 496 Ca -0.25 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.84 1p6i h PRO 496 Cb 1.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1p6i h PRO 496 CO 0.91 0.00 -0.09 0.00 -0.21 0.00 0.00 178.00 178.61 1p6i h ALA 497 N 1.71 1.18 -0.46 -0.75 0.00 -1.92 -3.10 119.26 115.91 1p6i h ALA 497 Ca 0.25 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1p6i h ALA 497 Cb 1.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1p6i h ALA 497 CO -0.00 0.12 0.00 0.09 0.00 0.00 0.00 179.25 179.46 1p6i n ASN 498 N -3.46 3.61 -0.02 0.00 3.02 -0.60 -4.66 115.26 113.15 1p6i n ASN 498 Ca -0.01 -2.24 -0.09 0.00 -0.03 0.00 0.00 54.58 52.22 1p6i n ASN 498 Cb 0.24 -0.39 -0.02 0.00 -0.61 0.00 0.00 39.78 39.00 1p6i n ASN 498 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1p6i h VAL 499 N 2.80 0.58 -0.42 2.41 2.07 -1.63 0.19 116.25 122.25 1p6i h VAL 499 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1p6i h VAL 499 Cb 1.02 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1p6i h VAL 499 CO 0.08 0.00 0.26 -0.61 0.02 0.00 0.00 177.57 177.32 1p6i h GLN 500 N -0.16 0.57 -0.55 1.57 4.15 -1.85 -0.91 115.11 117.93 1p6i h GLN 500 Ca 0.11 -0.05 -0.08 0.00 0.77 0.00 0.00 58.65 59.40 1p6i h GLN 500 Cb 0.33 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 1p6i h GLN 500 CO -0.28 0.41 0.01 0.35 -1.93 0.00 0.00 178.83 177.39 1p6i h PHE 501 N 0.56 0.99 -0.87 3.99 3.57 -1.81 -2.45 116.94 120.92 1p6i h PHE 501 Ca 0.15 -0.15 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1p6i h PHE 501 Cb -0.02 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 38.41 1p6i h PHE 501 CO -0.04 0.89 0.53 1.15 -2.23 0.00 0.00 178.31 178.61 1p6i h THR 502 N 0.86 1.24 -0.62 4.41 2.02 -0.20 -1.33 112.91 119.28 1p6i h THR 502 Ca 0.16 -0.51 -0.08 0.00 0.77 0.00 0.00 66.41 66.75 1p6i h THR 502 Cb 0.49 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 1p6i h THR 502 CO 0.02 0.25 0.08 -0.33 0.37 0.00 0.00 175.52 175.91 1p6i h GLU 503 N 1.20 1.03 -0.68 6.66 5.08 -0.81 -1.16 114.58 125.88 1p6i h GLU 503 Ca 0.31 -0.27 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1p6i h GLU 503 Cb -0.06 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 1p6i h GLU 503 CO -0.06 0.96 0.25 0.82 -1.00 0.00 0.00 179.01 179.97 1p6i h ILE 504 N 0.96 1.25 -0.35 3.13 2.04 -0.93 -0.33 117.51 123.27 1p6i h ILE 504 Ca 0.19 -0.81 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 1p6i h ILE 504 Cb 0.44 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1p6i h ILE 504 CO 0.01 0.32 0.16 0.00 0.00 0.00 0.00 178.15 178.64 1p6i h ILE 506 N 0.43 1.04 -0.80 0.00 2.04 -1.05 -0.26 117.51 118.92 1p6i h ILE 506 Ca 0.12 -0.12 0.11 0.00 1.00 0.00 0.00 64.86 65.97 1p6i h ILE 506 Cb 0.15 1.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.18 1p6i h ILE 506 CO -0.01 0.04 0.52 -0.61 0.00 0.00 0.00 178.15 178.09 1p6i h GLN 507 N 0.06 0.66 0.00 2.37 4.15 -0.82 0.21 115.11 121.74 1p6i h GLN 507 Ca 0.02 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1p6i h GLN 507 Cb 0.03 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.57 1p6i h GLN 507 CO -0.00 0.44 0.00 1.04 -1.93 0.00 0.00 178.83 178.37 1p6i n GLN 508 N -4.51 0.72 0.00 1.69 1.13 -0.15 -4.86 117.38 111.40 1p6i n GLN 508 Ca 0.14 0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.21 1p6i n GLN 508 Cb 0.37 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.22 1p6i n GLN 508 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p6i n GLY 509 N 0.74 1.04 3.72 1.08 0.00 0.74 -4.89 105.19 107.62 1p6i n GLY 509 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1p6i n GLY 509 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1p6i s TRP 510 N -2.00 3.10 -0.63 1.61 -0.00 -0.18 -4.95 118.94 115.90 1p6i s TRP 510 Ca 0.00 0.75 -0.20 0.00 -0.00 0.00 0.00 56.10 56.65 1p6i s TRP 510 Cb 0.00 -3.86 0.10 0.00 -0.00 0.00 0.00 33.47 29.71 1p6i s TRP 510 CO 0.00 -3.09 0.80 0.15 -0.00 0.00 0.00 176.95 174.81 1p6i s LYS 511 N 0.98 3.10 0.06 5.86 1.02 -1.26 -4.35 119.74 125.15 1p6i s LYS 511 Ca 0.68 -1.23 -0.30 0.00 0.02 0.00 0.00 55.97 55.13 1p6i s LYS 511 Cb -0.42 -4.29 -0.05 0.00 -0.52 0.00 0.00 37.83 32.55 1p6i s LYS 511 CO 0.32 -1.63 1.15 0.00 -0.92 0.00 0.00 175.35 174.28 1p6i s ALA 512 N 3.02 3.35 -1.87 5.17 0.00 -1.26 -4.91 121.76 125.26 1p6i s ALA 512 Ca 0.15 0.80 0.28 0.00 0.00 0.00 0.00 51.96 53.19 1p6i s ALA 512 Cb -0.21 -3.42 1.61 0.00 0.00 0.00 0.00 23.12 21.11 1p6i s ALA 512 CO 0.06 -0.38 2.00 -0.35 0.00 0.00 0.00 175.76 177.10 1p6i n PRO 513 N 3.75 0.77 -4.06 0.00 -0.04 -1.26 -4.92 135.00 129.25 1p6i n PRO 513 Ca 0.08 0.01 -0.40 0.00 -0.04 0.00 0.00 63.50 63.15 1p6i n PRO 513 Cb 0.47 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.43 1p6i n PRO 513 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1p6i n ARG 514 N -1.07 -0.79 -2.77 0.54 1.74 -1.26 -4.98 116.66 108.09 1p6i n ARG 514 Ca 0.19 0.16 -0.13 0.00 -0.77 0.00 0.00 57.85 57.30 1p6i n ARG 514 Cb 0.12 -3.15 -0.01 0.00 -1.02 0.00 0.00 32.46 28.41 1p6i n ARG 514 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1p6i n GLY 515 N -2.12 3.14 0.12 -0.13 0.00 -1.26 -5.04 105.19 99.89 1p6i n GLY 515 Ca -0.17 -2.24 0.01 0.00 0.00 0.00 0.00 46.02 43.61 1p6i n GLY 515 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1p6i h ARG 516 N 0.00 0.00 -2.04 1.61 2.43 -1.92 -3.38 114.38 111.09 1p6i h ARG 516 Ca -0.17 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.48 1p6i h ARG 516 Cb 0.61 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 29.76 1p6i h ARG 516 CO 0.28 0.48 -1.09 1.19 -1.51 0.00 0.00 179.97 179.31 1p6i n PHE 517 N -3.13 0.56 -3.30 2.20 3.01 -1.26 -4.07 117.46 111.47 1p6i n PHE 517 Ca -0.02 -3.78 -0.39 0.00 1.01 0.00 0.00 57.45 54.27 1p6i n PHE 517 Cb 0.79 -0.41 -0.07 0.00 -0.01 0.00 0.00 39.48 39.78 1p6i n PHE 517 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1p6i s ASP 518 N -2.18 6.55 0.01 4.37 1.01 -1.26 -4.94 116.67 120.23 1p6i s ASP 518 Ca 0.39 0.66 -0.30 0.00 0.71 0.00 0.00 52.55 54.01 1p6i s ASP 518 Cb 0.28 -2.27 -0.06 0.00 1.01 0.00 0.00 42.92 41.88 1p6i s ASP 518 CO -0.09 -0.12 1.47 -0.69 0.21 0.00 0.00 175.17 175.95 1p6i s VAL 519 N 1.37 3.55 0.66 -1.27 1.01 -1.26 -0.65 120.40 123.81 1p6i s VAL 519 Ca 0.23 0.93 -0.15 0.00 0.00 0.00 0.00 61.98 62.99 1p6i s VAL 519 Cb -0.15 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1p6i s VAL 519 CO 0.09 -0.01 1.13 -0.76 0.00 0.00 0.00 175.10 175.55 1p6i s LEU 520 N 2.58 3.42 0.50 3.92 1.43 -0.12 -4.87 118.68 125.54 1p6i s LEU 520 Ca 0.67 2.08 -0.07 0.00 -1.03 0.00 0.00 54.13 55.78 1p6i s LEU 520 Cb -0.33 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.29 1p6i s LEU 520 CO 0.28 -1.69 0.84 -2.16 0.23 0.00 0.00 176.35 173.84 1p6i s PRO 521 N -3.97 3.58 0.14 1.29 0.04 -1.26 -4.75 135.00 130.06 1p6i s PRO 521 Ca 0.69 0.35 -0.27 0.00 0.04 0.00 0.00 61.00 61.81 1p6i s PRO 521 Cb -0.22 -2.31 -0.07 0.00 0.04 0.00 0.00 34.50 31.93 1p6i s PRO 521 CO 0.41 -0.27 0.85 -0.51 0.04 0.00 0.00 177.00 177.52 1p6i s LEU 522 N -4.74 4.55 -0.33 -3.56 1.43 0.13 -4.88 118.68 111.28 1p6i s LEU 522 Ca 0.49 1.70 -0.01 0.00 -1.03 0.00 0.00 54.13 55.29 1p6i s LEU 522 Cb -0.10 -3.41 0.08 0.00 0.03 0.00 0.00 46.19 42.78 1p6i s LEU 522 CO 0.45 0.10 0.05 -0.22 0.23 0.00 0.00 176.35 176.96 1p6i s LEU 523 N -0.66 4.35 -0.11 1.79 0.20 -1.26 -1.15 118.68 121.84 1p6i s LEU 523 Ca 0.40 -1.63 0.00 0.00 0.69 0.00 0.00 54.13 53.59 1p6i s LEU 523 Cb -0.23 -1.71 -0.02 0.00 -0.43 0.00 0.00 46.19 43.80 1p6i s LEU 523 CO 0.28 -0.35 -0.11 -0.76 -0.29 0.00 0.00 176.35 175.12 1p6i s LEU 524 N 1.15 2.88 -0.22 -0.68 1.43 0.34 -1.36 118.68 122.22 1p6i s LEU 524 Ca 0.01 -0.22 -0.02 0.00 -1.03 0.00 0.00 54.13 52.87 1p6i s LEU 524 Cb -0.20 -1.64 0.01 0.00 0.03 0.00 0.00 46.19 44.38 1p6i s LEU 524 CO -0.03 0.23 -0.09 -1.58 0.23 0.00 0.00 176.35 175.11 1p6i s GLN 525 N -0.05 3.16 -0.06 1.70 0.74 -0.01 0.30 119.66 125.44 1p6i s GLN 525 Ca -0.02 -0.76 0.04 0.00 0.05 0.00 0.00 55.36 54.68 1p6i s GLN 525 Cb -0.14 -2.90 -0.02 0.00 1.10 0.00 0.00 33.01 31.06 1p6i s GLN 525 CO 0.03 -0.25 -0.18 0.00 -0.55 0.00 0.00 175.29 174.35 1p6i s ALA 526 N 1.40 2.50 -1.31 1.58 0.00 -1.26 -0.82 121.76 123.85 1p6i s ALA 526 Ca 0.04 -0.99 -0.06 0.00 0.00 0.00 0.00 51.96 50.95 1p6i s ALA 526 Cb -0.14 -0.91 0.04 0.00 0.00 0.00 0.00 23.12 22.11 1p6i s ALA 526 CO -0.06 0.47 0.42 -1.71 0.00 0.00 0.00 175.76 174.88 1p6i n ASN 527 N 2.68 -4.32 0.00 0.00 4.05 -1.22 -1.31 115.26 115.14 1p6i n ASN 527 Ca -0.17 -0.25 0.00 0.00 0.45 0.00 0.00 54.58 54.61 1p6i n ASN 527 Cb 0.52 -3.56 0.00 0.00 1.23 0.00 0.00 39.78 37.97 1p6i n ASN 527 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1p6i n GLY 528 N -1.18 0.50 3.90 8.20 0.00 0.14 -4.49 105.19 112.26 1p6i n GLY 528 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 1p6i n GLY 528 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1p6i s ASN 529 N -2.31 4.60 0.47 1.61 0.01 -0.43 -4.85 114.94 114.03 1p6i s ASN 529 Ca 0.00 0.76 -0.24 0.00 -0.71 0.00 0.00 52.86 52.67 1p6i s ASN 529 Cb 0.00 -1.29 -0.07 0.00 0.41 0.00 0.00 41.25 40.29 1p6i s ASN 529 CO 0.00 -1.84 1.39 -1.81 -1.51 0.00 0.00 177.10 173.34 1p6i s ASP 530 N -4.56 5.78 0.80 -1.22 1.01 -1.26 -4.35 116.67 112.87 1p6i s ASP 530 Ca 0.62 2.85 -0.11 0.00 0.71 0.00 0.00 52.55 56.61 1p6i s ASP 530 Cb -0.11 -2.65 0.08 0.00 1.01 0.00 0.00 42.92 41.25 1p6i s ASP 530 CO 0.49 -1.23 1.12 -2.16 0.21 0.00 0.00 175.17 173.60 1p6i s PRO 531 N -2.54 1.88 0.03 8.23 0.04 -1.26 -4.69 135.00 136.69 1p6i s PRO 531 Ca 0.63 1.37 0.04 0.00 0.04 0.00 0.00 61.00 63.09 1p6i s PRO 531 Cb -0.42 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.26 1p6i s PRO 531 CO 0.53 -1.95 -0.13 -1.21 0.04 0.00 0.00 177.00 174.28 1p6i s GLU 532 N -4.65 0.89 0.14 4.56 2.02 0.15 -4.86 118.70 116.95 1p6i s GLU 532 Ca 0.65 -0.70 -0.19 0.00 0.02 0.00 0.00 54.97 54.75 1p6i s GLU 532 Cb -0.20 -0.88 -0.07 0.00 0.10 0.00 0.00 34.13 33.08 1p6i s GLU 532 CO 0.54 0.22 0.64 -0.51 0.02 0.00 0.00 175.26 176.17 1p6i s LEU 533 N -1.02 4.46 -0.11 1.80 1.43 -1.26 -0.51 118.68 123.47 1p6i s LEU 533 Ca 0.01 1.33 -0.09 0.00 -1.03 0.00 0.00 54.13 54.34 1p6i s LEU 533 Cb -0.07 -3.20 0.03 0.00 0.03 0.00 0.00 46.19 42.98 1p6i s LEU 533 CO 0.01 0.17 0.28 -0.36 0.23 0.00 0.00 176.35 176.69 1p6i s PHE 534 N -1.28 -0.32 -0.22 0.29 0.40 -0.30 -4.98 117.98 111.57 1p6i s PHE 534 Ca 0.35 0.78 -0.12 0.00 -0.60 0.00 0.00 56.93 57.34 1p6i s PHE 534 Cb -0.19 0.11 -0.05 0.00 0.51 0.00 0.00 43.02 43.40 1p6i s PHE 534 CO 0.21 -0.17 0.24 -1.14 0.70 0.00 0.00 175.22 175.06 1p6i s GLN 535 N 0.33 4.13 0.10 0.44 0.74 -1.26 0.19 119.66 124.33 1p6i s GLN 535 Ca -0.01 -0.09 -0.31 0.00 0.05 0.00 0.00 55.36 54.99 1p6i s GLN 535 Cb -0.03 -3.51 -0.07 0.00 1.10 0.00 0.00 33.01 30.49 1p6i s GLN 535 CO -0.01 0.08 1.35 0.42 -0.55 0.00 0.00 175.29 176.57 1p6i s ILE 536 N 0.99 3.49 -0.22 -2.34 1.01 -1.26 -4.89 121.20 117.97 1p6i s ILE 536 Ca 0.12 1.06 -0.37 0.00 0.00 0.00 0.00 60.65 61.46 1p6i s ILE 536 Cb -0.13 -3.68 -0.13 0.00 0.01 0.00 0.00 42.46 38.52 1p6i s ILE 536 CO 0.05 0.08 1.87 -2.65 0.00 0.00 0.00 174.94 174.28 1p6i n PRO 537 N 3.99 1.53 -0.33 2.79 -0.02 -1.26 -4.81 135.00 136.90 1p6i n PRO 537 Ca 0.11 0.55 0.20 0.00 -2.02 0.00 0.00 63.50 62.34 1p6i n PRO 537 Cb 0.43 -2.37 0.42 0.00 -0.02 0.00 0.00 33.50 31.96 1p6i n PRO 537 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1p6i h PRO 538 N 8.79 0.36 0.00 0.52 0.11 -1.94 0.49 132.00 140.32 1p6i h PRO 538 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1p6i h PRO 538 Cb 1.30 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1p6i h PRO 538 CO 0.97 0.23 0.00 1.05 -0.21 0.00 0.00 178.00 180.04 1p6i h GLU 539 N 0.37 0.00 0.00 1.05 9.09 -2.03 -0.62 114.58 122.43 1p6i h GLU 539 Ca 0.68 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.09 1p6i h GLU 539 Cb 1.46 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.56 1p6i h GLU 539 CO -0.58 0.00 -1.08 1.28 0.05 0.00 0.00 179.01 178.68 1p6i n LEU 540 N -2.34 0.62 -4.38 3.06 4.32 0.17 -4.79 117.00 113.66 1p6i n LEU 540 Ca -0.01 -0.11 -0.45 0.00 -0.02 0.00 0.00 56.01 55.43 1p6i n LEU 540 Cb 0.07 -0.08 -0.04 0.00 -1.62 0.00 0.00 43.42 41.75 1p6i n LEU 540 CO 0.12 0.08 0.47 -0.69 -1.22 0.00 0.00 177.39 176.16 1p6i s VAL 541 N -3.18 4.79 0.10 4.08 1.01 -0.24 -4.75 120.40 122.21 1p6i s VAL 541 Ca 0.04 -1.01 -0.30 0.00 0.00 0.00 0.00 61.98 60.71 1p6i s VAL 541 Cb 0.15 -4.52 -0.06 0.00 0.00 0.00 0.00 36.38 31.95 1p6i s VAL 541 CO 0.82 -1.18 1.02 -0.22 0.00 0.00 0.00 175.10 175.55 1p6i s LEU 542 N 2.75 4.46 0.08 3.92 2.96 -1.26 -5.00 118.68 126.59 1p6i s LEU 542 Ca 0.14 1.87 0.03 0.00 -0.22 0.00 0.00 54.13 55.95 1p6i s LEU 542 Cb -0.22 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 42.85 1p6i s LEU 542 CO 0.05 -0.18 -0.09 -1.61 -1.32 0.00 0.00 176.35 173.20 1p6i s GLU 543 N 0.18 0.75 -0.15 1.98 2.02 -1.26 -1.79 118.70 120.43 1p6i s GLU 543 Ca 0.50 -1.05 0.00 0.00 0.02 0.00 0.00 54.97 54.44 1p6i s GLU 543 Cb -0.25 -0.45 0.02 0.00 0.10 0.00 0.00 34.13 33.55 1p6i s GLU 543 CO 0.31 0.07 -0.14 0.08 0.02 0.00 0.00 175.26 175.60 1p6i s VAL 544 N -2.17 1.56 0.07 2.63 1.01 0.42 -4.91 120.40 118.99 1p6i s VAL 544 Ca 0.01 -0.65 -0.31 0.00 0.00 0.00 0.00 61.98 61.03 1p6i s VAL 544 Cb -0.05 -1.48 -0.06 0.00 0.00 0.00 0.00 36.38 34.79 1p6i s VAL 544 CO -0.00 0.43 1.26 -2.84 0.00 0.00 0.00 175.10 173.95 1p6i s PRO 545 N 1.49 4.39 -0.19 2.72 0.02 -1.26 -1.87 135.00 140.29 1p6i s PRO 545 Ca 0.04 1.86 -0.19 0.00 0.02 0.00 0.00 61.00 62.73 1p6i s PRO 545 Cb -0.13 -3.35 -0.03 0.00 0.02 0.00 0.00 34.50 31.01 1p6i s PRO 545 CO -0.10 -0.34 0.56 0.42 -0.33 0.00 0.00 177.00 177.21 1p6i s ILE 546 N 1.22 5.07 0.17 2.83 -1.09 0.58 -4.83 121.20 125.16 1p6i s ILE 546 Ca 0.60 1.05 0.01 0.00 -2.23 0.00 0.00 60.65 60.09 1p6i s ILE 546 Cb -0.31 -3.89 -0.05 0.00 -1.58 0.00 0.00 42.46 36.64 1p6i s ILE 546 CO 0.29 0.16 0.02 0.00 -1.23 0.00 0.00 174.94 174.18 1p6i s ARG 547 N 1.70 1.10 -0.04 2.79 3.03 -1.26 -4.09 118.95 122.18 1p6i s ARG 547 Ca 0.26 -1.54 0.01 0.00 2.03 0.00 0.00 55.73 56.50 1p6i s ARG 547 Cb -0.16 -0.15 -0.03 0.00 -1.03 0.00 0.00 34.95 33.58 1p6i s ARG 547 CO 0.10 -0.18 -0.05 -1.58 -1.13 0.00 0.00 175.30 172.46 1p6i s HIS 548 N -3.75 2.96 0.48 5.89 2.46 -1.26 -4.31 115.29 117.76 1p6i s HIS 548 Ca 0.25 0.03 0.21 0.00 0.47 0.00 0.00 55.06 56.02 1p6i s HIS 548 Cb 0.07 -1.68 1.32 0.00 -0.13 0.00 0.00 32.58 32.16 1p6i s HIS 548 CO 0.04 0.37 2.09 -1.00 -2.47 0.00 0.00 174.74 173.77 1p6i h PRO 549 N 4.91 0.00 0.00 2.88 0.13 -1.92 -3.31 132.00 134.68 1p6i h PRO 549 Ca -0.49 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.58 1p6i h PRO 549 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1p6i h PRO 549 CO 0.53 0.11 -1.26 1.63 -0.23 0.00 0.00 178.00 178.78 1p6i n LYS 550 N -4.07 2.78 -3.21 0.86 5.02 -1.26 -4.92 118.16 113.37 1p6i n LYS 550 Ca -0.02 -0.01 -0.46 0.00 -2.02 0.00 0.00 58.31 55.80 1p6i n LYS 550 Cb 0.19 -1.10 -0.04 0.00 -0.02 0.00 0.00 35.03 34.06 1p6i n LYS 550 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1p6i s PHE 551 N -2.13 3.24 -0.04 2.13 2.99 -1.25 -4.90 117.98 118.02 1p6i s PHE 551 Ca -0.02 -1.31 0.29 0.00 0.00 0.00 0.00 56.93 55.89 1p6i s PHE 551 Cb 0.01 -3.93 1.43 0.00 0.00 0.00 0.00 43.02 40.54 1p6i s PHE 551 CO 0.16 -1.16 1.88 0.22 -0.00 0.00 0.00 175.22 176.32 1p6i h ASP 552 N 8.78 0.00 1.48 1.36 1.82 -1.91 -1.80 116.42 126.15 1p6i h ASP 552 Ca -0.18 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.46 1p6i h ASP 552 Cb 1.08 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.09 1p6i h ASP 552 CO 1.01 0.00 -0.30 4.11 -1.61 0.00 0.00 179.24 182.46 1p6i h TRP 553 N 0.00 0.00 -0.51 0.28 5.08 -1.93 -3.35 115.95 115.51 1p6i h TRP 553 Ca 0.00 0.00 0.07 0.00 1.08 0.00 0.00 58.89 60.04 1p6i h TRP 553 Cb 0.17 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 26.27 1p6i h TRP 553 CO 0.00 0.00 0.18 0.35 -1.28 0.00 0.00 178.44 177.69 1p6i h PHE 554 N 0.00 0.32 -0.70 0.12 3.57 -1.69 -0.29 116.94 118.27 1p6i h PHE 554 Ca 0.00 0.03 0.17 0.00 3.53 0.00 0.00 57.97 61.70 1p6i h PHE 554 Cb 0.89 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.52 1p6i h PHE 554 CO 0.00 0.10 0.48 1.57 -2.23 0.00 0.00 178.31 178.24 1p6i h LYS 555 N 0.36 0.20 0.00 1.11 2.10 -1.71 0.23 116.57 118.87 1p6i h LYS 555 Ca 0.25 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.89 1p6i h LYS 555 Cb 0.27 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.55 1p6i h LYS 555 CO -0.25 0.13 0.00 -0.25 -2.00 0.00 0.00 179.45 177.08 1p6i n ASP 556 N -4.42 0.00 0.00 7.07 8.00 -0.12 -1.98 116.55 125.10 1p6i n ASP 556 Ca 0.14 -0.02 0.10 0.00 0.71 0.00 0.00 54.79 55.72 1p6i n ASP 556 Cb 0.63 -0.25 0.51 0.00 -0.02 0.00 0.00 41.12 41.99 1p6i n ASP 556 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1p6i n LEU 557 N -1.25 0.00 -2.22 0.64 4.77 0.82 -4.88 117.00 114.89 1p6i n LEU 557 Ca 0.08 0.33 -0.20 0.00 -0.03 0.00 0.00 56.01 56.20 1p6i n LEU 557 Cb 0.12 -0.33 -0.01 0.00 -2.33 0.00 0.00 43.42 40.87 1p6i n LEU 557 CO 0.12 -0.10 -0.25 0.61 -1.33 0.00 0.00 177.39 176.44 1p6i n GLY 558 N 0.53 -0.35 3.88 -0.72 0.00 -0.84 -4.99 105.19 102.71 1p6i n GLY 558 Ca 0.09 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1p6i n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p6i s LEU 559 N -5.62 4.28 0.20 0.99 1.43 -1.26 -5.02 118.68 113.68 1p6i s LEU 559 Ca 0.00 0.76 -0.23 0.00 -1.03 0.00 0.00 54.13 53.63 1p6i s LEU 559 Cb 0.00 -3.26 0.05 0.00 0.03 0.00 0.00 46.19 43.01 1p6i s LEU 559 CO 0.00 0.07 0.73 -1.59 0.23 0.00 0.00 176.35 175.79 1p6i s LYS 560 N -2.37 1.46 0.12 1.70 -2.85 -1.26 -0.31 119.74 116.22 1p6i s LYS 560 Ca 0.39 -0.71 -0.15 0.00 -1.00 0.00 0.00 55.97 54.50 1p6i s LYS 560 Cb -0.13 0.56 0.03 0.00 -2.06 0.00 0.00 37.83 36.23 1p6i s LYS 560 CO 0.21 -0.66 0.36 -0.46 0.10 0.00 0.00 175.35 174.91 1p6i s TRP 561 N -3.71 -0.14 0.42 1.78 -0.11 -0.78 -4.91 118.94 111.49 1p6i s TRP 561 Ca 0.07 -0.19 -0.18 0.00 1.22 0.00 0.00 56.10 57.02 1p6i s TRP 561 Cb -0.03 0.20 -0.10 0.00 -1.50 0.00 0.00 33.47 32.04 1p6i s TRP 561 CO -0.02 -0.67 0.90 1.52 -4.62 0.00 0.00 176.95 174.07 1p6i s TYR 562 N -3.79 3.36 -0.57 5.86 -0.85 -1.26 -0.44 117.35 119.66 1p6i s TYR 562 Ca 0.03 1.47 0.24 0.00 -0.52 0.00 0.00 57.07 58.29 1p6i s TYR 562 Cb 0.02 -2.75 0.37 0.00 0.38 0.00 0.00 41.96 39.99 1p6i s TYR 562 CO -0.12 -0.11 1.39 0.78 -1.52 0.00 0.00 175.55 175.97 1p6i h GLY 563 N 1.76 0.00 -7.32 5.49 0.00 -1.70 -3.45 103.07 97.85 1p6i h GLY 563 Ca -0.48 0.00 -0.73 0.00 0.00 0.00 0.00 47.33 46.12 1p6i h GLY 563 CO 0.62 0.00 -0.38 -2.27 0.00 0.00 0.00 176.54 174.51 1p6i s LEU 564 N -4.68 5.56 -0.21 3.11 2.96 -1.26 -4.49 118.68 119.67 1p6i s LEU 564 Ca 0.06 -1.61 -0.28 0.00 -0.22 0.00 0.00 54.13 52.08 1p6i s LEU 564 Cb 0.12 -2.07 0.00 0.00 0.50 0.00 0.00 46.19 44.74 1p6i s LEU 564 CO 0.70 -0.65 1.00 -2.16 -1.32 0.00 0.00 176.35 173.92 1p6i s PRO 565 N 1.49 4.27 -0.41 0.98 0.04 -1.26 -4.65 135.00 135.46 1p6i s PRO 565 Ca 0.04 1.29 0.03 0.00 0.04 0.00 0.00 61.00 62.39 1p6i s PRO 565 Cb -0.25 -3.63 0.16 0.00 0.04 0.00 0.00 34.50 30.82 1p6i s PRO 565 CO 0.03 -0.56 0.30 0.00 0.04 0.00 0.00 177.00 176.80 1p6i s ALA 566 N 2.95 1.43 0.19 8.56 0.00 -1.26 -3.48 121.76 130.16 1p6i s ALA 566 Ca 0.43 -2.35 -0.33 0.00 0.00 0.00 0.00 51.96 49.71 1p6i s ALA 566 Cb -0.16 -1.65 -0.13 0.00 0.00 0.00 0.00 23.12 21.18 1p6i s ALA 566 CO 0.08 -2.03 1.59 0.28 0.00 0.00 0.00 175.76 175.68 1p6i n VAL 567 N 3.23 0.21 -0.71 0.00 0.31 -0.81 -0.43 118.33 120.13 1p6i n VAL 567 Ca 0.22 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.50 1p6i n VAL 567 Cb 0.43 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 31.69 1p6i n VAL 567 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1p6i n SER 568 N 3.27 0.57 -0.62 4.52 3.41 0.19 -1.23 113.62 123.74 1p6i n SER 568 Ca 0.15 -1.28 0.06 0.00 -0.26 0.00 0.00 58.87 57.54 1p6i n SER 568 Cb 0.31 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.38 1p6i n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1p6i n ASN 569 N -0.14 2.64 -4.95 4.04 6.94 -1.21 -4.32 115.26 118.26 1p6i n ASN 569 Ca 0.00 -1.82 -0.23 0.00 -0.02 0.00 0.00 54.58 52.51 1p6i n ASN 569 Cb 0.42 -0.16 0.00 0.00 -2.36 0.00 0.00 39.78 37.68 1p6i n ASN 569 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1p6i s MET 570 N -1.00 3.22 -0.17 -3.83 -1.94 -1.26 -4.33 119.30 109.99 1p6i s MET 570 Ca 0.21 -0.47 -0.05 0.00 -1.71 0.00 0.00 55.69 53.67 1p6i s MET 570 Cb 0.12 -2.61 -0.03 0.00 2.01 0.00 0.00 34.83 34.32 1p6i s MET 570 CO 0.16 -0.10 -0.01 -1.17 -0.01 0.00 0.00 175.02 173.90 1p6i s LEU 571 N -4.44 3.39 -0.36 -0.03 0.20 0.52 -4.31 118.68 113.64 1p6i s LEU 571 Ca 0.45 -0.09 -0.16 0.00 0.69 0.00 0.00 54.13 55.02 1p6i s LEU 571 Cb -0.10 -1.83 -0.00 0.00 -0.43 0.00 0.00 46.19 43.83 1p6i s LEU 571 CO 0.37 0.15 0.42 -0.22 -0.29 0.00 0.00 176.35 176.78 1p6i s LEU 572 N 0.47 4.51 -0.24 -0.68 2.96 -0.21 -0.43 118.68 125.06 1p6i s LEU 572 Ca -0.02 -0.28 -0.09 0.00 -0.22 0.00 0.00 54.13 53.53 1p6i s LEU 572 Cb -0.14 -2.42 -0.04 0.00 0.50 0.00 0.00 46.19 44.09 1p6i s LEU 572 CO 0.02 -0.43 0.12 -0.70 -1.32 0.00 0.00 176.35 174.04 1p6i s GLU 573 N 2.15 3.91 -0.10 1.98 2.12 0.10 -0.82 118.70 128.03 1p6i s GLU 573 Ca 0.14 -0.36 -0.01 0.00 0.36 0.00 0.00 54.97 55.10 1p6i s GLU 573 Cb -0.16 -3.42 0.03 0.00 0.26 0.00 0.00 34.13 30.84 1p6i s GLU 573 CO 0.13 -0.00 -0.01 0.42 -0.54 0.00 0.00 175.26 175.25 1p6i s ILE 574 N 1.18 0.57 -1.44 -3.70 1.01 -0.48 -1.90 121.20 116.44 1p6i s ILE 574 Ca 0.06 -0.09 -0.10 0.00 0.00 0.00 0.00 60.65 60.51 1p6i s ILE 574 Cb -0.14 -0.75 0.06 0.00 0.01 0.00 0.00 42.46 41.65 1p6i s ILE 574 CO 0.05 0.22 0.71 0.61 0.00 0.00 0.00 174.94 176.52 1p6i n GLY 575 N 5.08 -0.50 2.56 6.18 0.00 -1.26 -0.27 105.19 116.98 1p6i n GLY 575 Ca -0.09 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1p6i n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p6i n GLY 576 N -1.45 2.56 3.80 -0.02 0.00 -1.26 -3.49 105.19 105.34 1p6i n GLY 576 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1p6i n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p6i s LEU 577 N 0.00 4.27 -0.25 0.99 1.43 0.63 -4.99 118.68 120.77 1p6i s LEU 577 Ca 0.00 1.62 -0.02 0.00 -1.03 0.00 0.00 54.13 54.71 1p6i s LEU 577 Cb 0.00 -3.93 0.02 0.00 0.03 0.00 0.00 46.19 42.31 1p6i s LEU 577 CO 0.00 -0.08 -0.06 -1.61 0.23 0.00 0.00 176.35 174.83 1p6i s GLU 578 N -2.23 2.88 -0.65 1.70 2.02 -1.26 -1.38 118.70 119.77 1p6i s GLU 578 Ca 0.49 -0.95 -0.11 0.00 0.02 0.00 0.00 54.97 54.42 1p6i s GLU 578 Cb -0.16 -2.99 0.17 0.00 0.10 0.00 0.00 34.13 31.25 1p6i s GLU 578 CO 0.21 -0.39 0.56 -0.06 0.02 0.00 0.00 175.26 175.60 1p6i s PHE 579 N 1.34 3.52 -0.44 1.61 0.40 -0.00 0.15 117.98 124.56 1p6i s PHE 579 Ca 0.01 -1.94 0.25 0.00 -0.60 0.00 0.00 56.93 54.65 1p6i s PHE 579 Cb -0.16 -3.64 1.00 0.00 0.51 0.00 0.00 43.02 40.73 1p6i s PHE 579 CO -0.04 -0.97 1.75 0.66 0.70 0.00 0.00 175.22 177.32 1p6i h SER 580 N 8.05 0.00 -3.47 1.36 4.64 -1.82 -0.53 113.55 121.78 1p6i h SER 580 Ca -0.08 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.63 1p6i h SER 580 Cb 1.05 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.74 1p6i h SER 580 CO 0.83 0.00 -0.75 0.00 -0.87 0.00 0.00 176.83 176.04 1p6i s ALA 581 N -3.33 2.08 -0.40 5.18 0.00 -1.16 -4.60 121.76 119.52 1p6i s ALA 581 Ca 0.05 -1.82 0.10 0.00 0.00 0.00 0.00 51.96 50.28 1p6i s ALA 581 Cb 0.10 -1.66 0.34 0.00 0.00 0.00 0.00 23.12 21.89 1p6i s ALA 581 CO 0.44 -1.52 0.87 0.00 0.00 0.00 0.00 175.76 175.56 1p6i n PRO 583 N 0.31 2.07 -4.06 0.00 -0.04 -1.15 -4.67 135.00 127.45 1p6i n PRO 583 Ca 0.18 0.73 -0.11 0.00 -0.04 0.00 0.00 63.50 64.27 1p6i n PRO 583 Cb 0.67 -2.38 -0.11 0.00 -0.04 0.00 0.00 33.50 31.65 1p6i n PRO 583 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1p6i s PHE 584 N -0.28 0.59 0.03 0.54 -0.12 -0.36 -0.89 117.98 117.49 1p6i s PHE 584 Ca 0.65 -0.66 -0.13 0.00 -0.05 0.00 0.00 56.93 56.75 1p6i s PHE 584 Cb -0.63 -0.37 0.02 0.00 -0.63 0.00 0.00 43.02 41.41 1p6i s PHE 584 CO 0.52 -0.16 0.28 -1.54 -0.05 0.00 0.00 175.22 174.27 1p6i s SER 585 N -1.99 -0.11 0.00 1.98 1.04 0.12 -1.93 113.70 112.81 1p6i s SER 585 Ca -0.05 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.23 1p6i s SER 585 Cb -0.05 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1p6i s SER 585 CO -0.02 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.26 1p6i n GLY 586 N 0.82 2.29 3.46 7.32 0.00 -1.23 -0.70 105.19 117.16 1p6i n GLY 586 Ca -0.20 -0.30 -0.11 0.00 0.00 0.00 0.00 46.02 45.42 1p6i n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1p6i s TRP 587 N 1.52 -0.47 0.42 1.61 -2.14 -1.26 -4.55 118.94 114.07 1p6i s TRP 587 Ca 0.00 0.28 -0.23 0.00 2.66 0.00 0.00 56.10 58.81 1p6i s TRP 587 Cb 0.00 0.56 -0.09 0.00 -3.10 0.00 0.00 33.47 30.83 1p6i s TRP 587 CO 0.00 -0.76 1.02 0.71 -2.66 0.00 0.00 176.95 175.25 1p6i s TYR 588 N -3.56 3.26 -0.16 1.66 1.51 -1.26 -4.93 117.35 113.87 1p6i s TYR 588 Ca 0.02 1.64 -0.09 0.00 -1.01 0.00 0.00 57.07 57.63 1p6i s TYR 588 Cb -0.01 -3.04 -0.05 0.00 -0.11 0.00 0.00 41.96 38.75 1p6i s TYR 588 CO -0.11 -0.49 0.15 1.41 -1.11 0.00 0.00 175.55 175.40 1p6i s MET 589 N -2.74 3.91 0.28 -0.62 -2.45 -1.26 -1.44 119.30 114.99 1p6i s MET 589 Ca 0.60 -0.16 -0.03 0.00 -1.25 0.00 0.00 55.69 54.86 1p6i s MET 589 Cb -0.18 -3.33 0.59 0.00 1.25 0.00 0.00 34.83 33.16 1p6i s MET 589 CO 0.23 0.48 1.61 0.78 1.05 0.00 0.00 175.02 179.16 1p6i h GLY 590 N 6.01 1.05 2.00 2.11 0.00 -0.48 -1.28 103.07 112.48 1p6i h GLY 590 Ca -0.46 0.13 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1p6i h GLY 590 CO 0.69 -0.39 -0.03 -0.91 0.00 0.00 0.00 176.54 175.90 1p6i h THR 591 N 0.07 0.61 -0.76 4.70 1.35 -1.94 -1.15 112.91 115.79 1p6i h THR 591 Ca 0.51 -0.11 0.09 0.00 -0.55 0.00 0.00 66.41 66.34 1p6i h THR 591 Cb 0.97 1.07 -0.07 0.00 -1.73 0.00 0.00 68.15 68.39 1p6i h THR 591 CO -0.79 0.03 0.42 -0.33 -0.25 0.00 0.00 175.52 174.59 1p6i h GLU 592 N 0.00 0.70 0.00 4.72 5.08 -1.63 -0.04 114.58 123.40 1p6i h GLU 592 Ca -0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1p6i h GLU 592 Cb 0.07 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 1p6i h GLU 592 CO 0.00 0.46 -0.37 0.82 -1.00 0.00 0.00 179.01 178.93 1p6i h ILE 593 N 0.72 0.11 -0.49 3.13 2.04 -1.57 -0.77 117.51 120.67 1p6i h ILE 593 Ca 0.36 -1.11 0.01 0.00 1.00 0.00 0.00 64.86 65.12 1p6i h ILE 593 Cb 0.33 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 1p6i h ILE 593 CO -0.24 0.04 0.33 1.23 0.00 0.00 0.00 178.15 179.51 1p6i h GLY 594 N -1.00 0.68 0.00 5.37 0.00 -1.29 0.16 103.07 106.99 1p6i h GLY 594 Ca -0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 1p6i h GLY 594 CO -0.01 0.24 -0.94 -0.62 0.00 0.00 0.00 176.54 175.20 1p6i n VAL 595 N -4.47 1.48 0.06 4.60 0.31 -0.10 -4.01 118.33 116.21 1p6i n VAL 595 Ca 0.05 0.14 -0.05 0.00 -0.01 0.00 0.00 64.34 64.46 1p6i n VAL 595 Cb 0.07 -2.34 -0.03 0.00 -0.91 0.00 0.00 33.84 30.64 1p6i n VAL 595 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1p6i h ARG 596 N -1.00 -0.25 -0.90 5.55 2.47 -1.35 -0.36 114.38 118.54 1p6i h ARG 596 Ca -0.04 0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.69 1p6i h ARG 596 Cb 0.91 0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 29.24 1p6i h ARG 596 CO -0.02 -0.11 0.52 -0.44 0.56 0.00 0.00 179.97 180.47 1p6i h ASP 597 N -1.06 1.10 0.23 7.04 3.32 -0.98 -2.19 116.42 123.88 1p6i h ASP 597 Ca -0.03 -0.08 -0.35 0.00 0.02 0.00 0.00 57.03 56.59 1p6i h ASP 597 Cb 0.25 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1p6i h ASP 597 CO 0.04 0.86 -1.86 1.88 -1.72 0.00 0.00 179.24 178.45 1p6i h TYR 598 N 1.25 0.46 -0.00 4.55 0.99 -0.84 -1.31 116.97 122.07 1p6i h TYR 598 Ca 0.32 -0.34 0.00 0.00 2.00 0.00 0.00 58.73 60.71 1p6i h TYR 598 Cb -0.02 -0.02 0.00 0.00 1.00 0.00 0.00 36.73 37.70 1p6i h TYR 598 CO 0.01 1.61 -0.67 0.00 -0.00 0.00 0.00 178.16 179.11 1p6i n ASP 600 N -1.10 3.74 0.25 0.00 9.92 -0.83 -4.61 116.55 123.92 1p6i n ASP 600 Ca 0.04 1.22 0.10 0.00 -0.53 0.00 0.00 54.79 55.62 1p6i n ASP 600 Cb 0.28 -1.62 0.63 0.00 -0.64 0.00 0.00 41.12 39.77 1p6i n ASP 600 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 1p6i h ASN 601 N 2.90 0.00 -0.56 -2.24 2.35 -1.92 -2.16 115.58 113.96 1p6i h ASN 601 Ca -0.51 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.24 1p6i h ASN 601 Cb 1.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.62 1p6i h ASN 601 CO 0.64 0.16 0.00 -1.20 -1.65 0.00 0.00 177.43 175.37 1p6i n SER 602 N -3.87 3.16 0.00 5.81 7.64 -1.26 -4.68 113.62 120.42 1p6i n SER 602 Ca -0.02 -2.06 0.00 0.00 1.01 0.00 0.00 58.87 57.80 1p6i n SER 602 Cb 0.25 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 1p6i n SER 602 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1p6i n ARG 603 N 1.10 0.88 0.26 1.43 5.12 -0.84 -4.21 116.66 120.40 1p6i n ARG 603 Ca 0.19 0.00 0.15 0.00 -1.93 0.00 0.00 57.85 56.27 1p6i n ARG 603 Cb 0.52 0.00 0.63 0.00 -1.16 0.00 0.00 32.46 32.45 1p6i n ARG 603 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1p6i h TYR 604 N 0.00 0.00 -6.87 -1.55 -1.99 -1.39 -3.42 116.97 101.75 1p6i h TYR 604 Ca 0.00 0.00 -0.55 0.00 2.00 0.00 0.00 58.73 60.18 1p6i h TYR 604 Cb 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.72 1p6i h TYR 604 CO 0.00 0.06 -1.06 -1.71 -0.00 0.00 0.00 178.16 175.45 1p6i n ASN 605 N -3.18 -4.38 -0.87 3.88 5.15 0.14 -4.88 115.26 111.12 1p6i n ASN 605 Ca 0.00 -1.14 0.12 0.00 -0.60 0.00 0.00 54.58 52.96 1p6i n ASN 605 Cb 0.33 -1.57 0.23 0.00 -0.53 0.00 0.00 39.78 38.25 1p6i n ASN 605 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1p6i n ILE 606 N -3.87 0.12 -0.24 -1.44 -5.35 -0.12 -4.61 119.36 103.85 1p6i n ILE 606 Ca -0.22 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 61.78 1p6i n ILE 606 Cb 0.62 1.09 0.07 0.00 -1.74 0.00 0.00 39.64 39.69 1p6i n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 1p6i h LEU 607 N 3.97 -0.66 0.41 7.28 3.38 -1.87 -2.08 115.31 125.73 1p6i h LEU 607 Ca 0.00 0.21 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 1p6i h LEU 607 Cb 0.85 0.43 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 1p6i h LEU 607 CO 0.00 -0.23 -0.25 -0.33 0.09 0.00 0.00 178.44 177.72 1p6i h GLU 608 N -0.01 -0.60 -1.04 1.13 5.08 -1.99 0.36 114.58 117.52 1p6i h GLU 608 Ca 0.33 0.04 0.29 0.00 -1.00 0.00 0.00 59.36 59.02 1p6i h GLU 608 Cb 0.51 0.14 -0.13 0.00 0.50 0.00 0.00 28.75 29.77 1p6i h GLU 608 CO -0.71 -0.40 0.63 1.49 -1.00 0.00 0.00 179.01 179.02 1p6i h GLU 609 N -0.62 0.40 -0.13 2.33 4.81 -1.86 0.67 114.58 120.18 1p6i h GLU 609 Ca -0.06 -0.02 -0.21 0.00 -0.13 0.00 0.00 59.36 58.94 1p6i h GLU 609 Cb 0.49 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1p6i h GLU 609 CO 0.06 0.26 -0.75 0.28 -0.73 0.00 0.00 179.01 178.13 1p6i h VAL 610 N 0.41 1.32 -0.49 0.32 2.07 -1.26 -2.51 116.25 116.11 1p6i h VAL 610 Ca 0.68 -2.03 -0.07 0.00 0.82 0.00 0.00 66.70 66.10 1p6i h VAL 610 Cb 1.57 2.02 -0.02 0.00 -1.52 0.00 0.00 31.29 33.34 1p6i h VAL 610 CO -0.48 0.63 0.04 0.00 0.02 0.00 0.00 177.57 177.78 1p6i h ALA 611 N 0.72 0.65 0.25 1.67 0.00 0.23 -2.27 119.26 120.50 1p6i h ALA 611 Ca -0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1p6i h ALA 611 Cb 1.36 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1p6i h ALA 611 CO 0.15 0.43 -0.15 0.87 0.00 0.00 0.00 179.25 180.54 1p6i h LYS 612 N 0.70 -0.37 -0.60 0.00 1.57 -0.06 -1.27 116.57 116.55 1p6i h LYS 612 Ca 0.14 0.02 0.13 0.00 -1.87 0.00 0.00 60.65 59.08 1p6i h LYS 612 Cb 0.46 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 1p6i h LYS 612 CO 0.02 -0.24 0.41 0.87 -0.57 0.00 0.00 179.45 179.93 1p6i h LYS 613 N -0.38 0.23 -0.00 3.15 1.79 -1.38 0.76 116.57 120.74 1p6i h LYS 613 Ca -0.02 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1p6i h LYS 613 Cb 0.31 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 1p6i h LYS 613 CO 0.03 0.15 -0.12 -1.33 -1.08 0.00 0.00 179.45 177.10 1p6i n MET 614 N -4.44 0.38 -3.65 3.15 2.81 -0.86 -4.94 117.12 109.56 1p6i n MET 614 Ca 0.11 -0.11 -0.30 0.00 -1.81 0.00 0.00 57.70 55.59 1p6i n MET 614 Cb 0.50 -1.50 0.04 0.00 -0.71 0.00 0.00 33.22 31.56 1p6i n MET 614 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1p6i n ASP 615 N -1.22 -5.25 -4.96 7.83 2.03 0.27 -4.98 116.55 110.27 1p6i n ASP 615 Ca 0.11 -0.99 -0.22 0.00 0.52 0.00 0.00 54.79 54.21 1p6i n ASP 615 Cb 0.29 -3.54 0.00 0.00 -0.72 0.00 0.00 41.12 37.16 1p6i n ASP 615 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1p6i s LEU 616 N -6.40 3.76 -0.86 -2.67 1.43 -1.02 -5.01 118.68 107.92 1p6i s LEU 616 Ca 0.46 0.25 -0.25 0.00 -1.03 0.00 0.00 54.13 53.55 1p6i s LEU 616 Cb -0.15 -3.13 0.04 0.00 0.03 0.00 0.00 46.19 42.98 1p6i s LEU 616 CO 0.85 -0.59 1.32 -0.62 0.23 0.00 0.00 176.35 177.55 1p6i s ASP 617 N -4.18 6.32 -0.09 2.29 3.68 -1.26 -4.82 116.67 118.61 1p6i s ASP 617 Ca 0.46 -0.95 0.11 0.00 2.13 0.00 0.00 52.55 54.31 1p6i s ASP 617 Cb -0.10 -2.55 0.49 0.00 -1.45 0.00 0.00 42.92 39.31 1p6i s ASP 617 CO 0.37 -1.65 1.33 0.23 0.13 0.00 0.00 175.17 175.57 1p6i n MET 618 N 8.97 2.94 0.13 4.34 2.81 -1.26 -4.23 117.12 130.81 1p6i n MET 618 Ca 0.16 -1.91 0.00 0.00 -1.81 0.00 0.00 57.70 54.14 1p6i n MET 618 Cb 0.50 -1.74 0.05 0.00 -0.71 0.00 0.00 33.22 31.32 1p6i n MET 618 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1p6i h ARG 619 N 2.67 0.00 -3.20 0.03 3.08 -2.04 -3.44 114.38 111.47 1p6i h ARG 619 Ca 0.00 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.80 1p6i h ARG 619 Cb 1.12 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 30.84 1p6i h ARG 619 CO 0.19 0.63 -0.60 -1.59 -1.07 0.00 0.00 179.97 177.52 1p6i s LYS 620 N -3.05 0.09 0.51 0.04 -2.85 -1.26 -5.03 119.74 108.19 1p6i s LYS 620 Ca 0.02 0.42 0.30 0.00 -1.00 0.00 0.00 55.97 55.71 1p6i s LYS 620 Cb 0.09 -0.20 1.41 0.00 -2.06 0.00 0.00 37.83 37.07 1p6i s LYS 620 CO 0.76 -0.20 1.85 1.79 0.10 0.00 0.00 175.35 179.65 1p6i h THR 621 N 6.13 0.53 0.00 3.79 1.35 -1.89 -0.82 112.91 122.00 1p6i h THR 621 Ca -0.36 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1p6i h THR 621 Cb 1.13 0.43 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 1p6i h THR 621 CO 0.36 0.02 0.00 -1.54 -0.25 0.00 0.00 175.52 174.11 1p6i n SER 622 N -4.32 0.00 0.04 5.36 3.41 -1.26 -0.10 113.62 116.75 1p6i n SER 622 Ca 0.21 0.32 0.13 0.00 -0.26 0.00 0.00 58.87 59.27 1p6i n SER 622 Cb 0.99 -0.34 0.39 0.00 -0.26 0.00 0.00 64.21 64.99 1p6i n SER 622 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1p6i n SER 623 N -1.34 0.46 -3.28 4.04 3.41 -0.31 -4.93 113.62 111.67 1p6i n SER 623 Ca 0.01 0.27 -0.23 0.00 -0.26 0.00 0.00 58.87 58.66 1p6i n SER 623 Cb 0.02 -0.26 0.06 0.00 -0.26 0.00 0.00 64.21 63.77 1p6i n SER 623 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1p6i n LEU 624 N -1.82 -3.06 -0.18 1.04 4.77 0.86 -4.90 117.00 113.71 1p6i n LEU 624 Ca 0.05 -0.41 -0.05 0.00 -0.03 0.00 0.00 56.01 55.57 1p6i n LEU 624 Cb 0.38 -2.99 0.12 0.00 -2.33 0.00 0.00 43.42 38.60 1p6i n LEU 624 CO 0.32 0.45 0.95 4.11 -1.33 0.00 0.00 177.39 181.88 1p6i h TRP 625 N -2.06 1.01 -0.49 -1.77 5.08 -1.83 -0.34 115.95 115.56 1p6i h TRP 625 Ca -0.55 -0.11 -0.00 0.00 1.08 0.00 0.00 58.89 59.31 1p6i h TRP 625 Cb 1.37 -0.29 -0.02 0.00 -3.00 0.00 0.00 29.16 27.22 1p6i h TRP 625 CO 0.51 0.84 0.30 0.87 -1.28 0.00 0.00 178.44 179.68 1p6i h LYS 626 N 0.92 0.66 -0.63 0.12 1.57 -1.90 0.52 116.57 117.83 1p6i h LYS 626 Ca 0.19 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1p6i h LYS 626 Cb 0.36 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 1p6i h LYS 626 CO 0.00 0.48 0.31 -0.44 -0.57 0.00 0.00 179.45 179.24 1p6i h ASP 627 N 0.65 0.81 -0.18 0.86 5.19 -1.84 0.83 116.42 122.75 1p6i h ASP 627 Ca 0.18 -0.12 -0.02 0.00 -0.62 0.00 0.00 57.03 56.44 1p6i h ASP 627 Cb -0.01 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.28 1p6i h ASP 627 CO -0.03 0.71 0.05 1.56 -3.12 0.00 0.00 179.24 178.40 1p6i h GLN 628 N 0.86 0.28 -0.79 3.56 4.20 -0.61 -2.43 115.11 120.19 1p6i h GLN 628 Ca 0.22 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.82 1p6i h GLN 628 Cb 0.10 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.81 1p6i h GLN 628 CO -0.03 0.41 0.34 0.00 -0.67 0.00 0.00 178.83 178.88 1p6i h ALA 629 N 0.86 1.11 -0.46 3.87 0.00 -0.78 -2.81 119.26 121.04 1p6i h ALA 629 Ca 0.06 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.84 1p6i h ALA 629 Cb 0.25 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1p6i h ALA 629 CO -0.00 0.65 0.20 1.25 0.00 0.00 0.00 179.25 181.35 1p6i h LEU 630 N 1.14 0.25 0.33 0.00 5.85 -0.63 -1.62 115.31 120.62 1p6i h LEU 630 Ca 0.27 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 59.01 1p6i h LEU 630 Cb 0.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1p6i h LEU 630 CO -0.03 0.18 -0.16 0.58 -0.34 0.00 0.00 178.44 178.68 1p6i h VAL 631 N 0.39 0.68 -0.73 1.05 2.07 -1.22 -2.20 116.25 116.30 1p6i h VAL 631 Ca 0.21 -0.05 0.11 0.00 0.82 0.00 0.00 66.70 67.79 1p6i h VAL 631 Cb 0.17 0.71 -0.08 0.00 -1.52 0.00 0.00 31.29 30.57 1p6i h VAL 631 CO -0.18 0.01 0.35 -0.33 0.02 0.00 0.00 177.57 177.44 1p6i h GLU 632 N -0.47 0.55 -0.81 1.57 4.39 -1.29 0.70 114.58 119.22 1p6i h GLU 632 Ca -0.04 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1p6i h GLU 632 Cb 0.36 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.84 1p6i h GLU 632 CO 0.07 0.36 0.51 0.82 -1.16 0.00 0.00 179.01 179.62 1p6i h ILE 633 N 0.56 1.22 0.00 3.13 2.04 -1.15 0.34 117.51 123.65 1p6i h ILE 633 Ca 0.38 -0.45 -0.10 0.00 1.00 0.00 0.00 64.86 65.70 1p6i h ILE 633 Cb 0.46 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1p6i h ILE 633 CO -0.31 0.22 -0.46 0.78 0.00 0.00 0.00 178.15 178.38 1p6i h ASN 634 N 1.10 0.00 -0.44 1.72 4.21 -0.63 -1.73 115.58 119.81 1p6i h ASN 634 Ca 0.29 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.70 1p6i h ASN 634 Cb -0.08 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.11 1p6i h ASN 634 CO -0.06 0.46 -0.12 0.40 -1.29 0.00 0.00 177.43 176.81 1p6i h ILE 635 N 0.00 1.27 -0.18 2.81 2.04 -0.03 -2.67 117.51 120.76 1p6i h ILE 635 Ca -0.00 -1.24 -0.00 0.00 1.00 0.00 0.00 64.86 64.61 1p6i h ILE 635 Cb 0.96 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 1p6i h ILE 635 CO 0.06 0.42 0.11 0.00 0.00 0.00 0.00 178.15 178.74 1p6i h ALA 636 N 0.86 0.23 0.13 1.87 0.00 -0.49 -0.39 119.26 121.47 1p6i h ALA 636 Ca 0.11 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1p6i h ALA 636 Cb 0.67 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1p6i h ALA 636 CO 0.05 -0.27 -0.15 0.28 0.00 0.00 0.00 179.25 179.16 1p6i h VAL 637 N 0.22 0.67 -0.20 0.00 2.07 -1.28 0.84 116.25 118.56 1p6i h VAL 637 Ca 0.06 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.60 1p6i h VAL 637 Cb 0.02 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1p6i h VAL 637 CO -0.01 0.00 0.10 -0.07 0.02 0.00 0.00 177.57 177.61 1p6i h LEU 638 N -0.31 0.15 -0.50 2.57 3.38 -1.41 -1.83 115.31 117.36 1p6i h LEU 638 Ca 0.01 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.05 1p6i h LEU 638 Cb 0.31 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 1p6i h LEU 638 CO -0.05 0.12 0.20 0.22 0.09 0.00 0.00 178.44 179.01 1p6i h TYR 639 N 0.21 0.35 -0.39 1.13 3.20 -0.81 -1.16 116.97 119.51 1p6i h TYR 639 Ca 0.08 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 1p6i h TYR 639 Cb 0.02 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 1p6i h TYR 639 CO -0.09 0.13 0.10 0.77 -1.64 0.00 0.00 178.16 177.43 1p6i h SER 640 N 0.39 0.58 -0.09 -2.11 0.02 -0.55 -0.67 113.55 111.12 1p6i h SER 640 Ca 0.24 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1p6i h SER 640 Cb 0.23 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.61 1p6i h SER 640 CO -0.22 0.65 0.03 -0.26 -1.14 0.00 0.00 176.83 175.89 1p6i h PHE 641 N 0.48 0.15 -0.85 3.45 -1.00 -1.10 -1.40 116.94 116.67 1p6i h PHE 641 Ca 0.12 -0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.89 1p6i h PHE 641 Cb 0.29 -0.04 -0.04 0.00 3.61 0.00 0.00 35.95 39.77 1p6i h PHE 641 CO 0.01 0.30 0.55 1.96 -1.61 0.00 0.00 178.31 179.52 1p6i h GLN 642 N -0.05 1.12 -0.42 1.51 4.20 -1.20 0.09 115.11 120.37 1p6i h GLN 642 Ca 0.03 -0.08 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 1p6i h GLN 642 Cb 0.22 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 1p6i h GLN 642 CO -0.00 0.75 -0.03 0.77 -0.67 0.00 0.00 178.83 179.65 1p6i h SER 643 N 1.15 0.68 -0.38 1.46 0.02 -0.87 -2.11 113.55 113.50 1p6i h SER 643 Ca 0.31 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1p6i h SER 643 Cb -0.11 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.25 1p6i h SER 643 CO -0.06 0.77 0.00 0.47 -1.14 0.00 0.00 176.83 176.86 1p6i n ASP 644 N -4.21 2.35 -3.72 3.07 8.00 -0.55 -4.93 116.55 116.56 1p6i n ASP 644 Ca 0.02 -1.92 -0.25 0.00 0.71 0.00 0.00 54.79 53.35 1p6i n ASP 644 Cb 0.30 -0.25 0.05 0.00 -0.02 0.00 0.00 41.12 41.21 1p6i n ASP 644 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1p6i n LYS 645 N 0.78 -6.21 -4.18 -1.24 5.02 -0.39 -4.98 118.16 106.95 1p6i n LYS 645 Ca 0.16 0.70 -0.34 0.00 -2.02 0.00 0.00 58.31 56.80 1p6i n LYS 645 Cb 0.39 -5.58 -0.14 0.00 -0.02 0.00 0.00 35.03 29.69 1p6i n LYS 645 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1p6i s VAL 646 N -3.40 3.43 0.20 -0.18 1.01 -0.12 -4.27 120.40 117.07 1p6i s VAL 646 Ca 0.41 -0.49 -0.32 0.00 0.00 0.00 0.00 61.98 61.57 1p6i s VAL 646 Cb -0.19 -2.53 -0.15 0.00 0.00 0.00 0.00 36.38 33.51 1p6i s VAL 646 CO 0.79 0.46 1.18 0.41 0.00 0.00 0.00 175.10 177.93 1p6i n THR 647 N 4.28 1.04 -3.53 3.92 -1.04 0.16 -4.25 114.28 114.87 1p6i n THR 647 Ca -0.18 -0.26 -0.12 0.00 -2.04 0.00 0.00 64.05 61.45 1p6i n THR 647 Cb 0.52 -0.96 -0.04 0.00 -1.82 0.00 0.00 70.33 68.02 1p6i n THR 647 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1p6i s ILE 648 N -0.28 0.00 -0.01 12.58 2.07 -1.26 -4.43 121.20 129.87 1p6i s ILE 648 Ca 0.71 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.96 1p6i s ILE 648 Cb -0.80 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 40.79 1p6i s ILE 648 CO 0.53 0.00 -0.06 0.54 -1.91 0.00 0.00 174.94 174.04 1p6i s VAL 649 N -1.95 0.50 0.64 4.00 0.11 -0.52 -4.98 120.40 118.19 1p6i s VAL 649 Ca -0.02 -0.25 -0.10 0.00 -2.93 0.00 0.00 61.98 58.68 1p6i s VAL 649 Cb -0.01 -0.43 -0.01 0.00 -1.53 0.00 0.00 36.38 34.40 1p6i s VAL 649 CO -0.01 0.15 1.02 1.51 -3.33 0.00 0.00 175.10 174.44 1p6i s ASP 650 N -0.01 5.87 0.55 3.54 -4.77 -1.26 0.28 116.67 120.87 1p6i s ASP 650 Ca 0.01 1.20 0.30 0.00 -3.30 0.00 0.00 52.55 50.75 1p6i s ASP 650 Cb -0.04 -2.17 1.58 0.00 -1.09 0.00 0.00 42.92 41.20 1p6i s ASP 650 CO -0.00 -1.04 2.11 1.12 0.70 0.00 0.00 175.17 178.06 1p6i h HIS 651 N -0.38 0.00 0.18 2.11 2.07 -1.97 -0.58 115.15 116.58 1p6i h HIS 651 Ca -0.45 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.06 1p6i h HIS 651 Cb 1.22 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.20 1p6i h HIS 651 CO 0.57 0.09 -0.09 0.45 -3.07 0.00 0.00 177.93 175.88 1p6i h HIS 652 N 0.00 -0.22 -0.25 6.12 3.86 -1.96 -2.07 115.15 120.63 1p6i h HIS 652 Ca -0.00 -0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.22 1p6i h HIS 652 Cb 0.29 0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.81 1p6i h HIS 652 CO 0.00 0.20 0.10 0.77 0.86 0.00 0.00 177.93 179.86 1p6i h SER 653 N -0.83 0.14 -0.81 2.45 0.02 -1.90 -1.36 113.55 111.26 1p6i h SER 653 Ca -0.02 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1p6i h SER 653 Cb 0.52 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.02 1p6i h SER 653 CO 0.04 0.11 0.44 0.00 -1.14 0.00 0.00 176.83 176.28 1p6i h ALA 654 N 1.14 1.04 -0.05 3.77 0.00 -1.19 -0.38 119.26 123.59 1p6i h ALA 654 Ca 0.11 -0.13 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 1p6i h ALA 654 Cb 0.05 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1p6i h ALA 654 CO -0.09 0.56 -0.83 1.79 0.00 0.00 0.00 179.25 180.68 1p6i h THR 655 N 1.14 1.37 -0.47 0.00 1.35 -1.22 -0.82 112.91 114.26 1p6i h THR 655 Ca 0.29 -2.25 -0.03 0.00 -0.55 0.00 0.00 66.41 63.87 1p6i h THR 655 Cb 0.05 2.23 -0.02 0.00 -1.73 0.00 0.00 68.15 68.68 1p6i h THR 655 CO -0.04 0.68 0.20 -0.08 -0.25 0.00 0.00 175.52 176.02 1p6i h GLU 656 N 0.29 0.70 -0.77 4.72 4.81 -1.08 -1.32 114.58 121.93 1p6i h GLU 656 Ca -0.06 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.02 1p6i h GLU 656 Cb 1.44 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.67 1p6i h GLU 656 CO 0.15 0.63 0.36 0.77 -0.73 0.00 0.00 179.01 180.19 1p6i h SER 657 N 0.62 1.01 -0.70 1.04 0.02 -0.97 -2.39 113.55 112.19 1p6i h SER 657 Ca 0.16 -0.14 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 1p6i h SER 657 Cb 0.18 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 1p6i h SER 657 CO -0.01 0.87 0.29 0.15 -1.14 0.00 0.00 176.83 176.99 1p6i h PHE 658 N 1.09 1.06 -0.39 3.45 3.57 -0.68 0.21 116.94 125.25 1p6i h PHE 658 Ca 0.26 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1p6i h PHE 658 Cb 0.13 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 1p6i h PHE 658 CO 0.01 0.81 0.19 0.82 -2.23 0.00 0.00 178.31 177.91 1p6i h ILE 659 N 1.03 1.16 -0.50 1.41 1.08 -0.93 0.67 117.51 121.45 1p6i h ILE 659 Ca 0.24 -0.46 -0.01 0.00 -0.39 0.00 0.00 64.86 64.24 1p6i h ILE 659 Cb 0.19 0.75 -0.02 0.00 -3.07 0.00 0.00 36.82 34.67 1p6i h ILE 659 CO -0.02 0.17 0.27 0.11 -0.69 0.00 0.00 178.15 177.99 1p6i h LYS 660 N 0.49 0.70 -0.05 2.37 1.57 -0.99 0.06 116.57 120.72 1p6i h LYS 660 Ca 0.13 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1p6i h LYS 660 Cb 0.10 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1p6i h LYS 660 CO -0.02 0.55 0.01 1.25 -0.57 0.00 0.00 179.45 180.67 1p6i h HIS 661 N 0.66 0.02 -0.25 -1.35 2.76 -0.08 -1.49 115.15 115.42 1p6i h HIS 661 Ca 0.18 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.39 1p6i h HIS 661 Cb 0.06 -0.00 -0.04 0.00 1.55 0.00 0.00 27.41 28.98 1p6i h HIS 661 CO -0.02 0.01 0.02 1.98 -1.30 0.00 0.00 177.93 178.62 1p6i h MET 662 N 0.04 0.10 -0.93 5.26 1.85 0.71 0.58 114.93 122.53 1p6i h MET 662 Ca 0.02 -0.01 -0.00 0.00 -0.61 0.00 0.00 59.70 59.10 1p6i h MET 662 Cb 0.02 -0.02 -0.05 0.00 0.43 0.00 0.00 31.60 31.98 1p6i h MET 662 CO -0.03 0.07 0.57 0.93 -0.40 0.00 0.00 176.91 178.04 1p6i h GLU 663 N 0.10 1.27 -0.67 0.39 5.08 -0.83 -0.97 114.58 118.94 1p6i h GLU 663 Ca 0.12 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1p6i h GLU 663 Cb 0.14 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 1p6i h GLU 663 CO -0.18 0.88 0.31 -0.97 -1.00 0.00 0.00 179.01 178.05 1p6i h ASN 664 N 1.29 0.90 -0.25 1.42 -0.00 -0.63 -2.66 115.58 115.64 1p6i h ASN 664 Ca 0.34 -0.15 -0.09 0.00 -0.00 0.00 0.00 56.30 56.40 1p6i h ASN 664 Cb -0.06 -0.23 -0.02 0.00 -0.00 0.00 0.00 38.32 38.01 1p6i h ASN 664 CO -0.06 0.80 -0.14 -0.33 -0.00 0.00 0.00 177.43 177.70 1p6i h GLU 665 N 0.94 0.67 -0.60 6.67 4.39 -0.11 -0.32 114.58 126.22 1p6i h GLU 665 Ca 0.23 -0.22 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 1p6i h GLU 665 Cb 0.15 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 1p6i h GLU 665 CO -0.03 0.78 0.16 1.88 -1.16 0.00 0.00 179.01 180.64 1p6i h TYR 666 N 0.61 0.96 0.04 4.33 -1.99 -0.94 0.27 116.97 120.24 1p6i h TYR 666 Ca 0.10 -0.09 -0.21 0.00 2.00 0.00 0.00 58.73 60.53 1p6i h TYR 666 Cb 0.58 -0.28 0.02 0.00 2.00 0.00 0.00 36.73 39.05 1p6i h TYR 666 CO 0.03 0.79 -0.83 0.00 -0.00 0.00 0.00 178.16 178.14 1p6i h ARG 667 N 0.89 0.50 0.00 4.88 3.08 -1.14 -0.39 114.38 122.19 1p6i h ARG 667 Ca 0.19 -0.58 -0.14 0.00 0.07 0.00 0.00 59.98 59.52 1p6i h ARG 667 Cb 0.30 0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 1p6i h ARG 667 CO -0.00 1.22 -1.26 0.00 -1.07 0.00 0.00 179.97 178.86 1p6i n ARG 669 N -2.91 5.90 -0.71 0.00 0.63 0.89 -5.01 116.66 115.45 1p6i n ARG 669 Ca -0.07 -0.04 0.00 0.00 -0.92 0.00 0.00 57.85 56.81 1p6i n ARG 669 Cb 0.80 -0.52 0.00 0.00 0.45 0.00 0.00 32.46 33.19 1p6i n ARG 669 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1p6i n GLY 670 N 0.85 0.60 0.00 5.14 0.00 -0.16 -4.55 105.19 107.08 1p6i n GLY 670 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1p6i n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p6i n GLY 671 N -2.71 0.58 3.17 -0.02 0.00 -1.07 -0.92 105.19 104.22 1p6i n GLY 671 Ca 0.00 -1.25 0.02 0.00 0.00 0.00 0.00 46.02 44.79 1p6i n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p6i n PRO 673 N 4.84 2.46 -3.78 0.00 -0.04 -1.26 -4.66 135.00 132.56 1p6i n PRO 673 Ca 0.08 0.88 -0.13 0.00 -0.04 0.00 0.00 63.50 64.30 1p6i n PRO 673 Cb 0.55 -2.66 -0.12 0.00 -0.04 0.00 0.00 33.50 31.24 1p6i n PRO 673 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1p6i s ALA 674 N 0.63 -0.63 -0.53 0.55 0.00 -0.01 -4.18 121.76 117.59 1p6i s ALA 674 Ca 0.73 0.76 -0.16 0.00 0.00 0.00 0.00 51.96 53.28 1p6i s ALA 674 Cb -0.58 -0.45 0.13 0.00 0.00 0.00 0.00 23.12 22.22 1p6i s ALA 674 CO 0.40 -0.13 0.49 0.34 0.00 0.00 0.00 175.76 176.86 1p6i s ASP 675 N 0.25 6.17 0.24 0.00 -1.08 0.74 -3.40 116.67 119.59 1p6i s ASP 675 Ca -0.01 -1.76 -0.06 0.00 -0.52 0.00 0.00 52.55 50.20 1p6i s ASP 675 Cb -0.03 -2.20 0.43 0.00 -1.46 0.00 0.00 42.92 39.66 1p6i s ASP 675 CO -0.01 -0.84 1.69 -0.25 0.52 0.00 0.00 175.17 176.28 1p6i h TRP 676 N 8.87 0.25 -0.88 -5.34 7.01 -1.91 0.66 115.95 124.61 1p6i h TRP 676 Ca -0.30 0.04 0.20 0.00 2.11 0.00 0.00 58.89 60.95 1p6i h TRP 676 Cb 1.10 -0.00 -0.06 0.00 -2.10 0.00 0.00 29.16 28.10 1p6i h TRP 676 CO 0.72 -0.08 0.59 0.28 -2.79 0.00 0.00 178.44 177.16 1p6i h VAL 677 N 0.26 0.68 0.02 2.65 2.07 -1.92 -1.95 116.25 118.06 1p6i h VAL 677 Ca 0.40 -0.13 -0.35 0.00 0.82 0.00 0.00 66.70 67.44 1p6i h VAL 677 Cb 0.67 0.28 -0.06 0.00 -1.52 0.00 0.00 31.29 30.66 1p6i h VAL 677 CO -0.50 0.07 -2.16 0.79 0.02 0.00 0.00 177.57 175.79 1p6i n TRP 678 N -4.49 0.49 -0.13 1.57 7.02 -0.33 -4.47 117.44 117.09 1p6i n TRP 678 Ca 0.19 0.14 -0.10 0.00 -1.02 0.00 0.00 57.50 56.71 1p6i n TRP 678 Cb 0.70 -1.08 -0.02 0.00 -2.42 0.00 0.00 31.31 28.50 1p6i n TRP 678 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 1p6i h ILE 679 N 0.01 1.26 -2.72 -0.99 1.08 -0.57 -3.43 117.51 112.15 1p6i h ILE 679 Ca -0.46 -0.98 -0.53 0.00 -0.39 0.00 0.00 64.86 62.49 1p6i h ILE 679 Cb 2.08 1.15 0.03 0.00 -3.07 0.00 0.00 36.82 37.00 1p6i h ILE 679 CO 0.03 0.33 0.97 -0.69 -0.69 0.00 0.00 178.15 178.09 1p6i s VAL 680 N -5.01 2.97 0.63 1.67 1.01 -0.77 -4.92 120.40 115.98 1p6i s VAL 680 Ca -0.13 0.50 -0.18 0.00 0.00 0.00 0.00 61.98 62.16 1p6i s VAL 680 Cb 0.10 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 1p6i s VAL 680 CO 0.78 0.01 1.13 -2.65 0.00 0.00 0.00 175.10 174.37 1p6i n PRO 681 N 5.23 0.99 0.00 2.72 -0.02 -1.26 -4.89 135.00 137.77 1p6i n PRO 681 Ca 0.15 0.39 0.07 0.00 -2.02 0.00 0.00 63.50 62.09 1p6i n PRO 681 Cb 0.40 -2.36 0.39 0.00 -0.02 0.00 0.00 33.50 31.91 1p6i n PRO 681 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1p6i n PRO 682 N -1.50 0.60 -3.84 0.52 -0.04 -1.26 -4.24 135.00 125.25 1p6i n PRO 682 Ca 0.15 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.50 1p6i n PRO 682 Cb 0.48 -1.34 -0.09 0.00 -0.04 0.00 0.00 33.50 32.51 1p6i n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1p6i s MET 683 N -2.00 0.67 -1.23 0.54 0.23 -1.26 -4.90 119.30 111.35 1p6i s MET 683 Ca 0.20 -0.56 -0.09 0.00 -1.03 0.00 0.00 55.69 54.21 1p6i s MET 683 Cb 0.09 0.28 0.07 0.00 -1.53 0.00 0.00 34.83 33.74 1p6i s MET 683 CO 0.15 -0.19 0.43 0.43 -2.03 0.00 0.00 175.02 173.81 1p6i n SER 684 N 0.82 -3.56 -0.21 -1.18 7.64 -1.26 -4.87 113.62 111.00 1p6i n SER 684 Ca -0.19 -0.33 -0.06 0.00 1.01 0.00 0.00 58.87 59.29 1p6i n SER 684 Cb 0.58 -2.96 -0.05 0.00 -1.01 0.00 0.00 64.21 60.77 1p6i n SER 684 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1p6i h GLY 685 N -0.85 -1.74 2.00 0.23 0.00 -1.91 -1.86 103.07 98.93 1p6i h GLY 685 Ca -0.41 0.97 0.00 0.00 0.00 0.00 0.00 47.33 47.89 1p6i h GLY 685 CO 0.51 -0.47 0.00 -1.14 0.00 0.00 0.00 176.54 175.43 1p6i n SER 686 N -4.16 0.15 -0.79 0.19 3.41 -1.26 -1.74 113.62 109.42 1p6i n SER 686 Ca 0.01 0.54 0.09 0.00 -0.26 0.00 0.00 58.87 59.25 1p6i n SER 686 Cb 0.14 -0.57 0.25 0.00 -0.26 0.00 0.00 64.21 63.76 1p6i n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1p6i n ILE 687 N -1.68 0.49 -4.49 -1.33 -5.35 -0.71 -4.77 119.36 101.53 1p6i n ILE 687 Ca 0.02 -0.55 -0.32 0.00 -0.27 0.00 0.00 62.75 61.63 1p6i n ILE 687 Cb 0.15 0.38 -0.11 0.00 -1.74 0.00 0.00 39.64 38.33 1p6i n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1p6i s THR 688 N -1.51 3.65 0.49 7.28 -4.23 -0.71 -5.03 115.64 115.58 1p6i s THR 688 Ca 0.31 -0.72 0.15 0.00 -1.18 0.00 0.00 61.69 60.25 1p6i s THR 688 Cb 0.17 -2.57 0.29 0.00 1.34 0.00 0.00 72.50 71.73 1p6i s THR 688 CO 0.23 0.43 2.09 1.55 -0.54 0.00 0.00 174.62 178.38 1p6i h PRO 689 N 4.65 0.17 -0.19 3.99 0.13 -1.86 -2.97 132.00 135.93 1p6i h PRO 689 Ca -0.48 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 1p6i h PRO 689 Cb 1.17 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1p6i h PRO 689 CO 0.53 0.12 0.06 -0.39 -0.23 0.00 0.00 178.00 178.09 1p6i h VAL 690 N 0.18 1.09 -0.94 1.56 -1.51 -1.88 -2.46 116.25 112.29 1p6i h VAL 690 Ca 0.11 -0.29 0.12 0.00 -1.23 0.00 0.00 66.70 65.40 1p6i h VAL 690 Cb 0.20 0.89 -0.07 0.00 -2.13 0.00 0.00 31.29 30.17 1p6i h VAL 690 CO -0.02 0.11 0.60 0.15 -1.23 0.00 0.00 177.57 177.18 1p6i h PHE 691 N 0.26 1.00 -0.01 5.19 3.57 -1.71 -0.97 116.94 124.27 1p6i h PHE 691 Ca 0.07 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1p6i h PHE 691 Cb 0.09 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.51 1p6i h PHE 691 CO 0.00 0.41 0.00 0.72 -2.23 0.00 0.00 178.31 177.21 1p6i n HIS 692 N -4.58 0.00 -3.45 0.41 8.25 -0.93 -4.85 115.22 110.08 1p6i n HIS 692 Ca 0.17 -0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.24 1p6i n HIS 692 Cb 0.37 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.38 1p6i n HIS 692 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1p6i s GLN 693 N -2.00 3.81 0.38 -0.41 2.00 -0.37 -1.15 119.66 121.92 1p6i s GLN 693 Ca 0.40 -0.25 -0.26 0.00 -2.00 0.00 0.00 55.36 53.25 1p6i s GLN 693 Cb 0.21 -3.72 -0.09 0.00 0.80 0.00 0.00 33.01 30.21 1p6i s GLN 693 CO 0.34 -0.36 1.16 -1.21 -0.50 0.00 0.00 175.29 174.73 1p6i s GLU 694 N 1.96 4.14 0.07 1.67 2.02 -0.61 -4.99 118.70 122.97 1p6i s GLU 694 Ca 0.11 1.83 0.02 0.00 0.02 0.00 0.00 54.97 56.96 1p6i s GLU 694 Cb -0.16 -2.74 -0.03 0.00 0.10 0.00 0.00 34.13 31.29 1p6i s GLU 694 CO 0.11 -0.24 -0.08 -1.64 0.02 0.00 0.00 175.26 173.43 1p6i s MET 695 N -2.19 0.71 -0.15 1.61 -1.94 -1.26 -4.59 119.30 111.49 1p6i s MET 695 Ca 0.55 -1.07 -0.01 0.00 -1.71 0.00 0.00 55.69 53.46 1p6i s MET 695 Cb -0.31 -0.30 -0.01 0.00 2.01 0.00 0.00 34.83 36.23 1p6i s MET 695 CO 0.39 0.03 -0.13 -0.51 -0.01 0.00 0.00 175.02 174.79 1p6i s LEU 696 N -2.34 2.66 -0.19 -0.03 1.43 -1.26 -4.92 118.68 114.03 1p6i s LEU 696 Ca 0.02 -0.38 -0.05 0.00 -1.03 0.00 0.00 54.13 52.68 1p6i s LEU 696 Cb -0.02 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 1p6i s LEU 696 CO -0.02 0.11 0.01 0.21 0.23 0.00 0.00 176.35 176.89 1p6i s ASN 697 N 0.66 4.93 0.19 2.29 3.04 -1.22 -0.83 114.94 124.01 1p6i s ASN 697 Ca -0.07 -0.16 -0.17 0.00 0.04 0.00 0.00 52.86 52.50 1p6i s ASN 697 Cb -0.15 -1.84 0.03 0.00 -1.54 0.00 0.00 41.25 37.74 1p6i s ASN 697 CO 0.02 0.08 0.52 -0.72 -3.04 0.00 0.00 177.10 173.96 1p6i s TYR 698 N 0.88 -0.11 -0.22 0.43 -0.85 -1.26 -4.96 117.35 111.26 1p6i s TYR 698 Ca 0.01 -0.23 -0.07 0.00 -0.52 0.00 0.00 57.07 56.27 1p6i s TYR 698 Cb -0.14 0.38 -0.03 0.00 0.38 0.00 0.00 41.96 42.55 1p6i s TYR 698 CO 0.02 -0.91 0.05 1.03 -1.52 0.00 0.00 175.55 174.23 1p6i s ARG 699 N -3.87 3.75 0.15 -3.49 0.52 -1.26 -4.81 118.95 109.93 1p6i s ARG 699 Ca 0.09 -0.44 0.09 0.00 -0.52 0.00 0.00 55.73 54.95 1p6i s ARG 699 Cb -0.01 -3.23 -0.04 0.00 0.52 0.00 0.00 34.95 32.19 1p6i s ARG 699 CO -0.03 0.01 -0.17 -0.51 0.02 0.00 0.00 175.30 174.62 1p6i s LEU 700 N 1.06 2.73 0.14 2.53 1.43 -1.26 -3.71 118.68 121.60 1p6i s LEU 700 Ca 0.04 -0.63 0.10 0.00 -1.03 0.00 0.00 54.13 52.61 1p6i s LEU 700 Cb -0.14 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.53 1p6i s LEU 700 CO 0.03 0.15 -0.19 0.42 0.23 0.00 0.00 176.35 176.98 1p6i s THR 701 N -1.41 2.70 0.93 5.49 -4.23 -1.26 -4.20 115.64 113.67 1p6i s THR 701 Ca 0.20 -1.67 -0.10 0.00 -1.18 0.00 0.00 61.69 58.94 1p6i s THR 701 Cb -0.10 -2.26 0.15 0.00 1.34 0.00 0.00 72.50 71.63 1p6i s THR 701 CO 0.11 0.02 1.12 -0.81 -0.54 0.00 0.00 174.62 174.53 1p6i n PRO 702 N 0.59 -0.51 -3.70 3.99 -0.04 -1.26 -5.02 135.00 129.04 1p6i n PRO 702 Ca -0.15 -0.08 -0.10 0.00 -0.04 0.00 0.00 63.50 63.13 1p6i n PRO 702 Cb 0.54 -2.36 -0.04 0.00 -0.04 0.00 0.00 33.50 31.60 1p6i n PRO 702 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1p6i s SER 703 N -2.62 -0.28 -0.22 3.54 1.04 -0.80 -3.97 113.70 110.39 1p6i s SER 703 Ca 0.67 -0.43 -0.08 0.00 0.48 0.00 0.00 55.95 56.59 1p6i s SER 703 Cb -0.23 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.42 1p6i s SER 703 CO 0.58 -1.03 0.09 -0.36 0.98 0.00 0.00 173.24 173.50 1p6i s PHE 704 N -3.86 3.19 0.21 5.02 0.40 -1.26 -0.72 117.98 120.96 1p6i s PHE 704 Ca 0.08 -0.08 0.10 0.00 -0.60 0.00 0.00 56.93 56.44 1p6i s PHE 704 Cb -0.01 -2.19 -0.05 0.00 0.51 0.00 0.00 43.02 41.28 1p6i s PHE 704 CO -0.04 -0.07 -0.20 -1.21 0.70 0.00 0.00 175.22 174.39 1p6i s GLU 705 N 1.06 1.46 0.61 0.44 0.41 0.43 -4.94 118.70 118.17 1p6i s GLU 705 Ca 0.05 -1.55 -0.12 0.00 -0.41 0.00 0.00 54.97 52.93 1p6i s GLU 705 Cb -0.14 -1.58 -0.04 0.00 -1.78 0.00 0.00 34.13 30.59 1p6i s GLU 705 CO 0.03 0.32 1.03 0.71 -0.49 0.00 0.00 175.26 176.86 1p6i s TYR 706 N -2.14 3.44 0.01 1.61 4.12 -1.26 -0.35 117.35 122.77 1p6i s TYR 706 Ca 0.22 1.37 -0.09 0.00 0.02 0.00 0.00 57.07 58.58 1p6i s TYR 706 Cb -0.06 -2.79 0.01 0.00 -1.52 0.00 0.00 41.96 37.60 1p6i s TYR 706 CO 0.10 -0.78 0.18 1.14 0.02 0.00 0.00 175.55 176.21 1p6i s GLN 707 N -4.85 0.58 0.53 -0.62 -2.07 -1.26 -4.71 119.66 107.26 1p6i s GLN 707 Ca 0.57 -0.45 -0.22 0.00 -1.82 0.00 0.00 55.36 53.45 1p6i s GLN 707 Cb -0.12 0.24 -0.06 0.00 -1.09 0.00 0.00 33.01 31.99 1p6i s GLN 707 CO 0.48 -0.15 1.27 -0.35 -1.32 0.00 0.00 175.29 175.22 1p6i n PRO 708 N 1.17 1.57 -1.72 9.60 -0.04 -1.26 -4.88 135.00 139.45 1p6i n PRO 708 Ca -0.21 0.58 -0.43 0.00 -0.04 0.00 0.00 63.50 63.40 1p6i n PRO 708 Cb 0.57 -2.46 -0.02 0.00 -0.04 0.00 0.00 33.50 31.55 1p6i n PRO 708 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1p6i n ASP 709 N -0.75 3.45 -0.27 3.54 8.00 -1.26 -4.87 116.55 124.39 1p6i n ASP 709 Ca 0.10 1.15 0.10 0.00 0.71 0.00 0.00 54.79 56.85 1p6i n ASP 709 Cb 0.44 -1.53 0.35 0.00 -0.02 0.00 0.00 41.12 40.36 1p6i n ASP 709 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1p6i h PRO 710 N 4.54 0.74 0.00 -0.24 0.13 -1.92 -1.84 132.00 133.41 1p6i h PRO 710 Ca -0.46 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1p6i h PRO 710 Cb 1.24 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1p6i h PRO 710 CO 0.78 0.49 0.00 -2.67 -0.23 0.00 0.00 178.00 176.36 1p6i n TRP 711 N -4.55 0.81 0.71 1.56 2.14 -1.26 -0.34 117.44 116.51 1p6i n TRP 711 Ca 0.17 0.37 0.12 0.00 2.07 0.00 0.00 57.50 60.22 1p6i n TRP 711 Cb 0.41 -1.09 0.13 0.00 -0.81 0.00 0.00 31.31 29.94 1p6i n TRP 711 CO 0.00 0.00 0.00 0.09 2.07 0.00 0.00 177.69 179.85 1p6i n ASN 712 N -2.29 0.62 0.00 -0.67 3.02 -0.69 -4.49 115.26 110.77 1p6i n ASN 712 Ca 0.00 -0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 1p6i n ASN 712 Cb 0.14 0.46 0.00 0.00 -0.61 0.00 0.00 39.78 39.76 1p6i n ASN 712 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1p6i n THR 713 N -1.85 0.00 -1.74 3.41 -2.24 -0.65 -5.07 114.28 106.14 1p6i n THR 713 Ca 0.03 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.40 1p6i n THR 713 Cb 0.40 -0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 68.59 1p6i n THR 713 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1p6i n HIS 714 N -1.39 2.83 -3.30 4.78 -0.00 0.54 -4.97 115.22 113.71 1p6i n HIS 714 Ca 0.00 0.27 -0.42 0.00 -0.00 0.00 0.00 57.72 57.57 1p6i n HIS 714 Cb 0.14 -2.59 -0.09 0.00 -0.00 0.00 0.00 29.99 27.46 1p6i n HIS 714 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1p6i s VAL 715 N -0.07 5.07 0.28 3.57 1.01 -1.26 -5.01 120.40 123.99 1p6i s VAL 715 Ca 0.64 -0.14 -0.29 0.00 0.00 0.00 0.00 61.98 62.18 1p6i s VAL 715 Cb -0.50 -4.01 -0.09 0.00 0.00 0.00 0.00 36.38 31.78 1p6i s VAL 715 CO 0.49 -0.35 1.14 0.26 0.00 0.00 0.00 175.10 176.64 1p6i s TRP 716 N 2.22 3.50 -2.70 5.22 0.52 -1.26 -4.87 118.94 121.56 1p6i s TRP 716 Ca 0.14 1.64 0.26 0.00 0.02 0.00 0.00 56.10 58.16 1p6i s TRP 716 Cb -0.16 -3.35 0.71 0.00 -1.15 0.00 0.00 33.47 29.52 1p6i s TRP 716 CO 0.14 -0.78 1.55 1.63 0.02 0.00 0.00 176.95 179.51