#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k2t s PHE 300 N 0.00 3.53 -0.05 -0.14 0.40 -1.26 -4.86 117.98 115.60 1k2t s PHE 300 Ca 0.00 1.51 0.06 0.00 -0.60 0.00 0.00 56.93 57.91 1k2t s PHE 300 Cb 0.00 -3.33 -0.01 0.00 0.51 0.00 0.00 43.02 40.19 1k2t s PHE 300 CO 0.00 -0.83 -0.25 -0.51 0.70 0.00 0.00 175.22 174.33 1k2t s LEU 301 N -0.06 2.06 -0.02 -0.37 1.43 -0.66 -4.96 118.68 116.10 1k2t s LEU 301 Ca 0.52 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1k2t s LEU 301 Cb -0.30 -1.34 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 1k2t s LEU 301 CO 0.34 0.25 0.03 -0.54 0.23 0.00 0.00 176.35 176.65 1k2t s LYS 302 N -0.20 2.90 -0.13 1.70 1.02 -1.26 0.13 119.74 123.90 1k2t s LYS 302 Ca -0.02 -0.54 0.00 0.00 0.02 0.00 0.00 55.97 55.44 1k2t s LYS 302 Cb -0.13 -2.75 0.02 0.00 -0.52 0.00 0.00 37.83 34.45 1k2t s LYS 302 CO 0.03 0.64 -0.12 0.08 -0.92 0.00 0.00 175.35 175.06 1k2t s VAL 303 N -1.09 1.39 -0.09 3.17 1.01 -0.15 -4.96 120.40 119.68 1k2t s VAL 303 Ca 0.20 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 1k2t s VAL 303 Cb -0.12 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 1k2t s VAL 303 CO 0.10 0.43 -0.04 -0.75 0.00 0.00 0.00 175.10 174.84 1k2t s LYS 304 N 1.43 2.96 -0.30 2.72 2.20 -1.26 -0.96 119.74 126.53 1k2t s LYS 304 Ca 0.02 -0.49 -0.14 0.00 -0.36 0.00 0.00 55.97 55.00 1k2t s LYS 304 Cb -0.13 -2.71 -0.03 0.00 -1.51 0.00 0.00 37.83 33.45 1k2t s LYS 304 CO -0.08 0.62 0.32 1.21 -0.36 0.00 0.00 175.35 177.06 1k2t s ASN 305 N -0.67 6.16 0.00 1.43 3.84 -0.39 -2.29 114.94 123.02 1k2t s ASN 305 Ca 0.10 0.00 0.24 0.00 0.21 0.00 0.00 52.86 53.41 1k2t s ASN 305 Cb -0.12 -2.18 1.19 0.00 -0.55 0.00 0.00 41.25 39.60 1k2t s ASN 305 CO 0.02 -0.21 1.79 0.79 -2.79 0.00 0.00 177.10 176.70 1k2t n TRP 306 N 5.27 0.00 -0.05 0.43 7.02 -0.08 0.72 117.44 130.76 1k2t n TRP 306 Ca -0.10 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.28 1k2t n TRP 306 Cb 0.51 -0.30 -0.15 0.00 -2.42 0.00 0.00 31.31 28.95 1k2t n TRP 306 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1k2t n GLU 307 N -1.30 0.66 0.00 -0.99 2.13 -1.26 -4.47 120.64 115.40 1k2t n GLU 307 Ca 0.11 0.20 0.00 0.00 0.66 0.00 0.00 57.16 58.13 1k2t n GLU 307 Cb 0.20 -1.70 0.00 0.00 0.27 0.00 0.00 31.44 30.20 1k2t n GLU 307 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1k2t n THR 308 N -2.99 0.00 -0.35 6.31 -2.24 -1.19 -5.00 114.28 108.82 1k2t n THR 308 Ca -0.23 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 1k2t n THR 308 Cb 1.08 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 70.32 1k2t n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1k2t n ASP 309 N -0.60 0.00 -4.67 3.42 8.00 0.22 -4.95 116.55 117.97 1k2t n ASP 309 Ca 0.00 0.00 -0.46 0.00 0.71 0.00 0.00 54.79 55.04 1k2t n ASP 309 Cb 0.00 -1.04 -0.04 0.00 -0.02 0.00 0.00 41.12 40.02 1k2t n ASP 309 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1k2t n VAL 310 N -2.00 0.15 -4.35 2.53 0.31 -1.24 -4.60 118.33 109.13 1k2t n VAL 310 Ca 0.00 -0.04 -0.33 0.00 -0.01 0.00 0.00 64.34 63.96 1k2t n VAL 310 Cb 0.00 -1.55 -0.15 0.00 -0.91 0.00 0.00 33.84 31.23 1k2t n VAL 310 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1k2t s VAL 311 N 0.77 2.60 0.17 2.52 1.01 -1.26 -1.26 120.40 124.94 1k2t s VAL 311 Ca 0.77 -0.78 0.06 0.00 0.00 0.00 0.00 61.98 62.03 1k2t s VAL 311 Cb -0.67 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 1k2t s VAL 311 CO 0.39 0.51 0.09 -0.76 0.00 0.00 0.00 175.10 175.33 1k2t s LEU 312 N 1.02 3.62 -0.13 3.92 1.43 -0.14 -4.94 118.68 123.47 1k2t s LEU 312 Ca -0.01 -0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 52.85 1k2t s LEU 312 Cb -0.15 -2.25 -0.02 0.00 0.03 0.00 0.00 46.19 43.80 1k2t s LEU 312 CO -0.04 0.08 -0.09 -0.89 0.23 0.00 0.00 176.35 175.64 1k2t s THR 313 N -1.74 3.42 -0.18 5.49 2.01 -1.26 -0.98 115.64 122.40 1k2t s THR 313 Ca 0.30 -0.54 -0.04 0.00 0.31 0.00 0.00 61.69 61.72 1k2t s THR 313 Cb -0.10 -2.45 -0.03 0.00 0.01 0.00 0.00 72.50 69.93 1k2t s THR 313 CO 0.22 0.52 -0.02 -0.62 -0.69 0.00 0.00 174.62 174.03 1k2t s ASP 314 N 0.21 4.83 0.00 3.53 -1.08 0.35 -4.62 116.67 119.90 1k2t s ASP 314 Ca -0.06 -0.16 0.00 0.00 -0.52 0.00 0.00 52.55 51.82 1k2t s ASP 314 Cb -0.15 -1.81 0.00 0.00 -1.46 0.00 0.00 42.92 39.51 1k2t s ASP 314 CO 0.04 0.12 0.00 0.35 0.52 0.00 0.00 175.17 176.20 1k2t n THR 315 N 3.86 0.00 0.01 1.71 -2.24 -0.34 -1.65 114.28 115.64 1k2t n THR 315 Ca -0.17 0.00 0.21 0.00 -2.27 0.00 0.00 64.05 61.81 1k2t n THR 315 Cb 0.52 0.16 0.71 0.00 -2.10 0.00 0.00 70.33 69.62 1k2t n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1k2t h LEU 316 N 0.00 0.00 -2.26 3.22 6.46 -1.71 -0.43 115.31 120.60 1k2t h LEU 316 Ca 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 1k2t h LEU 316 Cb 0.11 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.04 1k2t h LEU 316 CO 0.00 0.00 -0.05 1.12 -0.62 0.00 0.00 178.44 178.89 1k2t h HIS 317 N 0.00 0.00 -0.10 1.25 2.07 -1.85 -1.86 115.15 114.66 1k2t h HIS 317 Ca 0.25 0.00 0.03 0.00 -2.85 0.00 0.00 60.37 57.80 1k2t h HIS 317 Cb 1.03 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.01 1k2t h HIS 317 CO 0.00 0.05 0.13 -0.07 -3.07 0.00 0.00 177.93 174.97 1k2t h LEU 318 N 0.00 0.00 -2.68 6.12 3.38 -1.42 0.16 115.31 120.86 1k2t h LEU 318 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1k2t h LEU 318 Cb 0.15 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 1k2t h LEU 318 CO 0.01 0.00 0.13 0.29 0.09 0.00 0.00 178.44 178.96 1k2t n LYS 319 N -3.69 2.67 -2.59 1.13 5.02 -0.70 -4.94 118.16 115.06 1k2t n LYS 319 Ca -0.00 -1.74 -0.36 0.00 -2.02 0.00 0.00 58.31 54.18 1k2t n LYS 319 Cb 0.23 -1.84 -0.04 0.00 -0.02 0.00 0.00 35.03 33.36 1k2t n LYS 319 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1k2t s SER 320 N -0.38 6.84 -0.01 4.39 0.15 0.04 -4.89 113.70 119.84 1k2t s SER 320 Ca 0.31 1.99 -0.02 0.00 0.70 0.00 0.00 55.95 58.94 1k2t s SER 320 Cb 0.25 -2.58 -0.01 0.00 -1.71 0.00 0.00 66.02 61.97 1k2t s SER 320 CO 0.08 -0.43 -0.03 0.35 1.20 0.00 0.00 173.24 174.41 1k2t n THR 321 N -0.02 0.26 -0.92 6.45 -2.24 -1.13 -5.06 114.28 111.62 1k2t n THR 321 Ca 0.05 0.25 -0.30 0.00 -2.27 0.00 0.00 64.05 61.77 1k2t n THR 321 Cb 0.50 -1.37 0.25 0.00 -2.10 0.00 0.00 70.33 67.61 1k2t n THR 321 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1k2t s LEU 322 N -5.47 0.29 -0.08 3.22 1.43 -1.26 -5.04 118.68 111.76 1k2t s LEU 322 Ca -0.03 0.67 -0.02 0.00 -1.03 0.00 0.00 54.13 53.72 1k2t s LEU 322 Cb 0.00 -2.32 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 1k2t s LEU 322 CO 0.04 -4.43 0.02 -1.61 0.23 0.00 0.00 176.35 170.61 1k2t s GLU 323 N -5.34 3.03 0.40 1.70 2.02 -1.26 -4.72 118.70 114.53 1k2t s GLU 323 Ca 0.71 -0.39 0.20 0.00 0.02 0.00 0.00 54.97 55.51 1k2t s GLU 323 Cb -0.10 -2.84 0.81 0.00 0.10 0.00 0.00 34.13 32.10 1k2t s GLU 323 CO 0.56 0.70 1.79 1.79 0.02 0.00 0.00 175.26 180.13 1k2t h THR 324 N 4.03 0.81 0.00 3.63 1.35 -1.96 -3.47 112.91 117.30 1k2t h THR 324 Ca -0.51 -1.33 0.00 0.00 -0.55 0.00 0.00 66.41 64.02 1k2t h THR 324 Cb 1.19 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 69.44 1k2t h THR 324 CO 0.55 0.31 0.00 0.61 -0.25 0.00 0.00 175.52 176.75 1k2t n GLY 325 N 0.07 2.33 3.95 5.82 0.00 -1.26 -4.88 105.19 111.23 1k2t n GLY 325 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 1k2t n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k2t n THR 327 N -2.62 0.00 0.35 0.00 -2.24 -0.22 -5.00 114.28 104.55 1k2t n THR 327 Ca 0.08 -1.70 0.14 0.00 -2.27 0.00 0.00 64.05 60.30 1k2t n THR 327 Cb 0.60 0.93 0.49 0.00 -2.10 0.00 0.00 70.33 70.25 1k2t n THR 327 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1k2t h GLU 328 N 0.00 0.00 0.01 -0.78 3.07 -2.05 -3.26 114.58 111.57 1k2t h GLU 328 Ca -0.20 0.00 -0.37 0.00 -0.50 0.00 0.00 59.36 58.29 1k2t h GLU 328 Cb 0.96 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.81 1k2t h GLU 328 CO 0.28 0.00 -2.29 0.72 -1.40 0.00 0.00 179.01 176.32 1k2t n HIS 329 N -2.74 0.27 -4.09 4.33 8.25 -1.26 -4.98 115.22 114.99 1k2t n HIS 329 Ca 0.02 0.08 -0.15 0.00 -0.26 0.00 0.00 57.72 57.41 1k2t n HIS 329 Cb 0.35 -1.04 -0.14 0.00 1.12 0.00 0.00 29.99 30.27 1k2t n HIS 329 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1k2t s ILE 330 N -2.52 0.32 -0.15 1.59 2.07 -1.23 -5.13 121.20 116.14 1k2t s ILE 330 Ca -0.20 -0.16 -0.06 0.00 -1.41 0.00 0.00 60.65 58.81 1k2t s ILE 330 Cb 0.07 -0.28 -0.04 0.00 0.13 0.00 0.00 42.46 42.34 1k2t s ILE 330 CO 0.74 0.10 0.08 0.00 -1.91 0.00 0.00 174.94 173.94 1k2t n MET 332 N 2.85 1.49 -0.03 0.00 0.00 -1.26 -4.82 117.12 115.34 1k2t n MET 332 Ca -0.18 -2.93 0.23 0.00 0.00 0.00 0.00 57.70 54.83 1k2t n MET 332 Cb 0.53 -1.57 0.57 0.00 0.00 0.00 0.00 33.22 32.75 1k2t n MET 332 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1k2t h GLY 333 N 0.53 0.00 -2.12 3.03 0.00 -1.93 0.76 103.07 103.32 1k2t h GLY 333 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1k2t h GLY 333 CO 0.02 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.42 1k2t n SER 334 N -3.38 3.43 -4.67 0.19 3.41 -1.26 -4.86 113.62 106.47 1k2t n SER 334 Ca 0.14 -1.96 -0.42 0.00 -0.26 0.00 0.00 58.87 56.37 1k2t n SER 334 Cb 1.06 -0.32 -0.03 0.00 -0.26 0.00 0.00 64.21 64.66 1k2t n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1k2t s ILE 335 N -1.14 4.79 0.29 -1.33 -1.09 0.26 -4.93 121.20 118.04 1k2t s ILE 335 Ca 0.37 1.88 0.04 0.00 -2.23 0.00 0.00 60.65 60.71 1k2t s ILE 335 Cb 0.20 -4.24 0.29 0.00 -1.58 0.00 0.00 42.46 37.13 1k2t s ILE 335 CO 0.27 -0.04 1.78 -0.03 -1.23 0.00 0.00 174.94 175.69 1k2t h MET 336 N 7.29 0.73 -1.38 2.79 4.05 -1.91 -3.38 114.93 123.13 1k2t h MET 336 Ca -0.27 -0.04 -0.16 0.00 -0.28 0.00 0.00 59.70 58.94 1k2t h MET 336 Cb 1.12 -0.17 -0.24 0.00 -0.80 0.00 0.00 31.60 31.51 1k2t h MET 336 CO 0.88 0.49 -0.53 -0.48 0.23 0.00 0.00 176.91 177.50 1k2t s LEU 337 N -10.31 -1.00 0.02 3.39 0.05 -1.26 -5.18 118.68 104.39 1k2t s LEU 337 Ca -0.11 -0.88 -0.09 0.00 0.05 0.00 0.00 54.13 53.09 1k2t s LEU 337 Cb 0.24 1.44 -0.05 0.00 -2.05 0.00 0.00 46.19 45.77 1k2t s LEU 337 CO 0.80 -0.23 1.14 -0.65 -0.55 0.00 0.00 176.35 176.85 1k2t h PRO 338 N 7.26 -0.28 0.00 1.48 0.11 -1.90 -3.54 132.00 135.13 1k2t h PRO 338 Ca 0.03 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1k2t h PRO 338 Cb 1.14 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1k2t h PRO 338 CO 0.16 -0.19 0.00 2.41 -0.21 0.00 0.00 178.00 180.17 1k2t n THR 350 N -2.98 0.00 -0.19 -1.15 -1.04 -1.26 -5.02 114.28 102.64 1k2t n THR 350 Ca -0.04 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.93 1k2t n THR 350 Cb 0.12 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.66 1k2t n THR 350 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1k2t h LYS 351 N 0.00 -0.12 0.00 -2.82 1.57 -1.93 3.68 116.57 116.96 1k2t h LYS 351 Ca 0.00 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1k2t h LYS 351 Cb 0.00 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1k2t h LYS 351 CO 0.00 -0.08 -0.21 -0.44 -0.57 0.00 0.00 179.45 178.14 1k2t h ASP 352 N -0.13 0.00 0.34 0.86 3.32 -2.00 -1.38 116.42 117.43 1k2t h ASP 352 Ca 0.25 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.97 1k2t h ASP 352 Cb 0.52 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.09 1k2t h ASP 352 CO -0.64 0.21 -1.54 1.56 -1.72 0.00 0.00 179.24 177.11 1k2t h GLN 353 N 0.00 0.40 -0.25 3.56 4.20 -0.43 -3.37 115.11 119.21 1k2t h GLN 353 Ca -0.00 -0.68 -0.20 0.00 0.06 0.00 0.00 58.65 57.83 1k2t h GLN 353 Cb 0.42 0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.46 1k2t h GLN 353 CO 0.03 1.30 -0.62 1.25 -0.67 0.00 0.00 178.83 180.13 1k2t h LEU 354 N 0.11 0.96 -0.37 1.46 5.85 0.71 -3.27 115.31 120.76 1k2t h LEU 354 Ca -0.26 -0.55 -0.11 0.00 0.84 0.00 0.00 57.88 57.80 1k2t h LEU 354 Cb 2.09 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.84 1k2t h LEU 354 CO 0.21 1.35 -0.21 0.15 -0.34 0.00 0.00 178.44 179.60 1k2t h PHE 355 N 0.63 0.92 -0.28 1.25 3.57 -1.46 -0.56 116.94 121.01 1k2t h PHE 355 Ca -0.01 -0.24 0.01 0.00 3.53 0.00 0.00 57.97 61.27 1k2t h PHE 355 Cb 1.23 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.74 1k2t h PHE 355 CO 0.08 0.99 0.15 -1.00 -2.23 0.00 0.00 178.31 176.30 1k2t h PRO 356 N 0.58 0.31 -0.73 6.41 0.13 -1.73 0.12 132.00 137.09 1k2t h PRO 356 Ca 0.08 -0.02 0.04 0.00 -0.87 0.00 0.00 66.00 65.22 1k2t h PRO 356 Cb 0.77 -0.07 -0.05 0.00 0.13 0.00 0.00 31.00 31.78 1k2t h PRO 356 CO 0.06 0.21 0.46 -0.07 -0.23 0.00 0.00 178.00 178.42 1k2t h LEU 357 N 0.32 0.74 -0.04 1.56 3.38 -1.60 -0.47 115.31 119.20 1k2t h LEU 357 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1k2t h LEU 357 Cb 0.01 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1k2t h LEU 357 CO -0.06 0.51 0.02 0.00 0.09 0.00 0.00 178.44 179.00 1k2t h ALA 358 N 1.32 0.05 -0.34 1.53 0.00 -0.49 -1.87 119.26 119.45 1k2t h ALA 358 Ca 0.30 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.26 1k2t h ALA 358 Cb 0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1k2t h ALA 358 CO -0.12 -0.46 0.09 -0.22 0.00 0.00 0.00 179.25 178.54 1k2t h LYS 359 N 0.05 0.21 -0.18 0.00 3.64 -0.27 -0.35 116.57 119.66 1k2t h LYS 359 Ca 0.02 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.44 1k2t h LYS 359 Cb 0.00 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.72 1k2t h LYS 359 CO -0.01 0.14 -0.18 1.49 -2.27 0.00 0.00 179.45 178.62 1k2t h GLU 360 N 0.22 -0.20 0.17 1.90 4.81 -0.89 0.03 114.58 120.63 1k2t h GLU 360 Ca 0.16 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1k2t h GLU 360 Cb 0.16 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1k2t h GLU 360 CO -0.19 -0.13 -0.18 0.35 -0.73 0.00 0.00 179.01 178.13 1k2t h PHE 361 N -0.20 -0.47 -0.89 0.92 3.57 -0.87 -1.48 116.94 117.51 1k2t h PHE 361 Ca 0.12 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.72 1k2t h PHE 361 Cb 0.38 0.18 -0.08 0.00 2.79 0.00 0.00 35.95 39.22 1k2t h PHE 361 CO -0.32 -0.27 0.53 -0.07 -2.23 0.00 0.00 178.31 175.95 1k2t h LEU 362 N -0.38 0.77 -0.67 0.59 3.38 -0.75 0.34 115.31 118.60 1k2t h LEU 362 Ca 0.00 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1k2t h LEU 362 Cb 0.37 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1k2t h LEU 362 CO -0.05 0.43 0.40 0.44 0.09 0.00 0.00 178.44 179.75 1k2t h ASP 363 N 0.87 0.81 0.46 -0.43 3.32 -0.66 0.50 116.42 121.29 1k2t h ASP 363 Ca 0.44 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.40 1k2t h ASP 363 Cb 0.41 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1k2t h ASP 363 CO -0.25 0.63 -0.23 1.56 -1.72 0.00 0.00 179.24 179.23 1k2t h GLN 364 N 0.91 -0.60 -0.21 3.56 4.20 0.13 -0.61 115.11 122.49 1k2t h GLN 364 Ca 0.24 0.04 0.05 0.00 0.06 0.00 0.00 58.65 59.04 1k2t h GLN 364 Cb -0.02 0.14 -0.05 0.00 0.30 0.00 0.00 27.48 27.84 1k2t h GLN 364 CO -0.04 -0.40 -0.13 -0.92 -0.67 0.00 0.00 178.83 176.66 1k2t h TYR 365 N -0.63 -0.33 -0.10 2.96 3.20 -0.04 -1.28 116.97 120.75 1k2t h TYR 365 Ca -0.06 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.75 1k2t h TYR 365 Cb 0.48 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 1k2t h TYR 365 CO -0.05 -0.20 -0.32 1.88 -1.64 0.00 0.00 178.16 177.84 1k2t h TYR 366 N -0.12 0.22 -0.07 -3.82 -1.99 -0.84 -2.39 116.97 107.96 1k2t h TYR 366 Ca 0.12 -0.05 -0.12 0.00 2.00 0.00 0.00 58.73 60.68 1k2t h TYR 366 Cb 0.30 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 38.97 1k2t h TYR 366 CO -0.29 0.50 -0.50 1.03 -0.00 0.00 0.00 178.16 178.90 1k2t h SER 367 N 0.18 0.21 0.45 3.88 0.87 -0.72 0.55 113.55 118.96 1k2t h SER 367 Ca 0.02 -0.10 -0.10 0.00 -1.23 0.00 0.00 61.79 60.38 1k2t h SER 367 Cb 0.65 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 1k2t h SER 367 CO 0.05 0.68 -0.47 0.77 -0.53 0.00 0.00 176.83 177.32 1k2t h SER 368 N 0.15 0.03 -0.55 6.23 4.64 -0.75 -2.71 113.55 120.60 1k2t h SER 368 Ca 0.01 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1k2t h SER 368 Cb 0.94 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1k2t h SER 368 CO 0.08 0.50 0.00 2.30 -0.87 0.00 0.00 176.83 178.84 1k2t n ILE 369 N -3.98 2.15 -3.77 0.95 -5.35 -1.01 -4.94 119.36 103.41 1k2t n ILE 369 Ca -0.02 -1.18 -0.24 0.00 -0.27 0.00 0.00 62.75 61.05 1k2t n ILE 369 Cb 0.50 -0.15 0.03 0.00 -1.74 0.00 0.00 39.64 38.27 1k2t n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1k2t n LYS 370 N 0.74 -5.08 -1.76 6.28 5.02 -1.02 -4.88 118.16 117.45 1k2t n LYS 370 Ca 0.24 0.61 0.02 0.00 -2.02 0.00 0.00 58.31 57.16 1k2t n LYS 370 Cb 0.99 -5.26 0.02 0.00 -0.02 0.00 0.00 35.03 30.77 1k2t n LYS 370 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1k2t n ARG 371 N -4.41 0.38 -1.81 1.97 5.12 0.16 -5.04 116.66 113.03 1k2t n ARG 371 Ca -0.19 -2.23 -0.42 0.00 -1.93 0.00 0.00 57.85 53.08 1k2t n ARG 371 Cb 0.63 -0.29 -0.03 0.00 -1.16 0.00 0.00 32.46 31.62 1k2t n ARG 371 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1k2t s PHE 372 N -0.78 1.54 0.00 -1.55 5.36 -1.09 -2.07 117.98 119.40 1k2t s PHE 372 Ca 0.30 0.05 0.00 0.00 -0.96 0.00 0.00 56.93 56.32 1k2t s PHE 372 Cb 0.35 -4.07 0.00 0.00 -0.34 0.00 0.00 43.02 38.96 1k2t s PHE 372 CO -0.13 -4.46 0.00 0.41 -1.46 0.00 0.00 175.22 169.58 1k2t n GLY 373 N 4.73 3.03 3.16 13.12 0.00 -1.26 -5.01 105.19 122.96 1k2t n GLY 373 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 1k2t n GLY 373 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k2t n SER 374 N 0.00 -3.17 -0.32 1.61 3.41 -0.88 -4.34 113.62 109.93 1k2t n SER 374 Ca 0.00 0.04 -0.03 0.00 -0.26 0.00 0.00 58.87 58.62 1k2t n SER 374 Cb 0.00 -0.81 0.12 0.00 -0.26 0.00 0.00 64.21 63.27 1k2t n SER 374 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1k2t h LYS 375 N -1.45 1.23 -0.07 4.33 3.64 -1.96 0.11 116.57 122.39 1k2t h LYS 375 Ca -0.46 -0.12 0.04 0.00 -1.27 0.00 0.00 60.65 58.85 1k2t h LYS 375 Cb 1.35 -0.25 -0.05 0.00 -0.41 0.00 0.00 32.23 32.87 1k2t h LYS 375 CO 0.29 0.86 -0.21 0.00 -2.27 0.00 0.00 179.45 178.12 1k2t h ALA 376 N 1.34 -0.22 0.29 5.00 0.00 -1.91 1.54 119.26 125.30 1k2t h ALA 376 Ca 0.32 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1k2t h ALA 376 Cb -0.04 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1k2t h ALA 376 CO -0.06 -0.69 -0.35 1.25 0.00 0.00 0.00 179.25 179.41 1k2t h HIS 377 N -0.30 -0.94 -0.57 0.00 -0.00 -1.56 -0.26 115.15 111.52 1k2t h HIS 377 Ca 0.08 0.01 0.07 0.00 -0.00 0.00 0.00 60.37 60.53 1k2t h HIS 377 Cb 0.42 0.37 -0.06 0.00 -0.00 0.00 0.00 27.41 28.14 1k2t h HIS 377 CO -0.29 -0.48 0.25 0.52 -0.00 0.00 0.00 177.93 177.93 1k2t h MET 378 N -0.68 0.46 0.63 5.26 2.07 -0.24 -0.83 114.93 121.60 1k2t h MET 378 Ca -0.01 -0.03 -0.02 0.00 -2.07 0.00 0.00 59.70 57.57 1k2t h MET 378 Cb 0.64 -0.10 -0.01 0.00 -1.87 0.00 0.00 31.60 30.25 1k2t h MET 378 CO -0.10 0.31 -0.42 -0.44 1.07 0.00 0.00 176.91 177.33 1k2t h ASP 379 N 0.48 -1.06 -0.69 1.22 3.32 0.25 -1.80 116.42 118.13 1k2t h ASP 379 Ca 0.27 0.07 0.14 0.00 0.02 0.00 0.00 57.03 57.52 1k2t h ASP 379 Cb 0.25 0.32 -0.10 0.00 0.22 0.00 0.00 39.33 40.03 1k2t h ASP 379 CO -0.23 -0.63 0.20 -0.09 -1.72 0.00 0.00 179.24 176.77 1k2t h ARG 380 N -1.00 0.32 -0.19 3.56 9.65 -0.80 0.17 114.38 126.08 1k2t h ARG 380 Ca -0.08 -0.02 0.04 0.00 -1.10 0.00 0.00 59.98 58.82 1k2t h ARG 380 Cb 0.82 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 29.29 1k2t h ARG 380 CO 0.06 0.21 -0.04 1.25 2.80 0.00 0.00 179.97 184.25 1k2t h LEU 381 N 0.33 -0.16 -0.45 3.80 5.85 -0.94 0.25 115.31 124.00 1k2t h LEU 381 Ca 0.38 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 59.14 1k2t h LEU 381 Cb 0.59 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 1k2t h LEU 381 CO -0.43 -0.05 0.24 -0.08 -0.34 0.00 0.00 178.44 177.78 1k2t h GLU 382 N 0.01 0.62 -0.38 1.25 4.57 -0.36 -1.27 114.58 119.03 1k2t h GLU 382 Ca 0.09 -0.07 0.07 0.00 -1.18 0.00 0.00 59.36 58.27 1k2t h GLU 382 Cb 0.13 -0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 28.54 1k2t h GLU 382 CO -0.19 0.49 0.01 1.49 -1.18 0.00 0.00 179.01 179.63 1k2t h GLU 383 N 0.58 0.11 -0.29 1.92 4.81 -0.09 0.12 114.58 121.75 1k2t h GLU 383 Ca 0.16 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 1k2t h GLU 383 Cb 0.05 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1k2t h GLU 383 CO -0.03 0.07 0.06 0.28 -0.73 0.00 0.00 179.01 178.66 1k2t h VAL 384 N 0.11 1.22 0.07 0.32 2.07 -0.78 -0.82 116.25 118.44 1k2t h VAL 384 Ca 0.19 -0.76 0.02 0.00 0.82 0.00 0.00 66.70 66.97 1k2t h VAL 384 Cb 0.26 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 1k2t h VAL 384 CO -0.31 0.25 -0.46 -1.13 0.02 0.00 0.00 177.57 175.94 1k2t h ASN 385 N 0.30 -1.37 -0.85 0.57 -1.24 -0.67 0.39 115.58 112.71 1k2t h ASN 385 Ca 0.09 0.15 0.08 0.00 0.71 0.00 0.00 56.30 57.34 1k2t h ASN 385 Cb 0.31 0.52 -0.07 0.00 0.73 0.00 0.00 38.32 39.81 1k2t h ASN 385 CO 0.00 -0.50 0.51 0.11 -1.29 0.00 0.00 177.43 176.26 1k2t h LYS 386 N -0.66 0.85 -0.50 6.67 1.79 -0.93 -0.87 116.57 122.92 1k2t h LYS 386 Ca 0.02 -0.05 0.01 0.00 -2.18 0.00 0.00 60.65 58.45 1k2t h LYS 386 Cb 0.70 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 31.13 1k2t h LYS 386 CO -0.29 0.56 0.33 1.49 -1.08 0.00 0.00 179.45 180.47 1k2t h GLU 387 N 0.88 0.65 -0.63 3.15 4.81 0.14 -1.30 114.58 122.28 1k2t h GLU 387 Ca 0.40 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.52 1k2t h GLU 387 Cb 0.29 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 1k2t h GLU 387 CO -0.22 0.43 0.13 0.82 -0.73 0.00 0.00 179.01 179.44 1k2t h ILE 388 N 0.67 1.25 -0.22 2.32 2.04 0.51 0.70 117.51 124.78 1k2t h ILE 388 Ca 0.18 -0.95 -0.07 0.00 1.00 0.00 0.00 64.86 65.02 1k2t h ILE 388 Cb -0.08 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1k2t h ILE 388 CO -0.04 0.36 -0.16 -0.33 0.00 0.00 0.00 178.15 177.98 1k2t h GLU 389 N 0.96 0.37 0.00 2.37 5.08 -0.77 0.38 114.58 122.97 1k2t h GLU 389 Ca 0.20 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1k2t h GLU 389 Cb 0.38 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1k2t h GLU 389 CO 0.01 0.53 -0.31 1.03 -1.00 0.00 0.00 179.01 179.27 1k2t h SER 390 N 0.35 0.00 -0.08 1.42 0.87 -0.79 -3.39 113.55 111.92 1k2t h SER 390 Ca 0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1k2t h SER 390 Cb 0.49 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 1k2t h SER 390 CO 0.03 0.56 0.00 0.35 -0.53 0.00 0.00 176.83 177.24 1k2t n THR 391 N -4.22 0.10 -1.91 2.23 -2.24 0.24 -4.90 114.28 103.58 1k2t n THR 391 Ca -0.04 -0.22 -0.16 0.00 -2.27 0.00 0.00 64.05 61.35 1k2t n THR 391 Cb 0.16 0.19 -0.04 0.00 -2.10 0.00 0.00 70.33 68.54 1k2t n THR 391 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1k2t n SER 392 N -0.06 -4.48 -1.24 3.42 3.41 0.13 -4.80 113.62 110.01 1k2t n SER 392 Ca 0.17 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 1k2t n SER 392 Cb 0.26 -3.92 0.00 0.00 -0.26 0.00 0.00 64.21 60.29 1k2t n SER 392 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1k2t n THR 393 N -2.80 0.00 -3.83 6.66 5.66 -1.22 -4.78 114.28 113.97 1k2t n THR 393 Ca -0.17 -0.01 -0.07 0.00 -3.05 0.00 0.00 64.05 60.75 1k2t n THR 393 Cb 0.58 0.04 -0.00 0.00 -1.55 0.00 0.00 70.33 69.40 1k2t n THR 393 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1k2t s TYR 394 N -2.52 -0.05 -0.04 1.09 -0.85 -1.26 -2.82 117.35 110.90 1k2t s TYR 394 Ca 0.03 -0.48 0.06 0.00 -0.52 0.00 0.00 57.07 56.16 1k2t s TYR 394 Cb -0.00 0.76 -0.02 0.00 0.38 0.00 0.00 41.96 43.08 1k2t s TYR 394 CO -0.00 -1.33 -0.23 -0.65 -1.52 0.00 0.00 175.55 171.82 1k2t s GLN 395 N -3.17 2.30 0.43 -3.49 -1.52 -1.26 -5.06 119.66 107.89 1k2t s GLN 395 Ca 0.13 -0.86 -0.20 0.00 -1.95 0.00 0.00 55.36 52.48 1k2t s GLN 395 Cb -0.05 -2.16 -0.11 0.00 -0.22 0.00 0.00 33.01 30.48 1k2t s GLN 395 CO 0.08 0.54 0.94 -0.51 -0.25 0.00 0.00 175.29 176.10 1k2t s LEU 396 N -0.55 3.93 0.36 2.90 1.02 -1.26 -5.05 118.68 120.03 1k2t s LEU 396 Ca 0.08 1.66 -0.14 0.00 0.02 0.00 0.00 54.13 55.75 1k2t s LEU 396 Cb -0.11 -4.52 -0.08 0.00 0.02 0.00 0.00 46.19 41.50 1k2t s LEU 396 CO 0.00 -0.37 0.77 -0.54 0.02 0.00 0.00 176.35 176.23 1k2t s LYS 397 N -3.23 3.94 0.23 1.70 1.02 -1.26 -4.84 119.74 117.30 1k2t s LYS 397 Ca 0.61 0.64 -0.17 0.00 0.02 0.00 0.00 55.97 57.07 1k2t s LYS 397 Cb -0.09 -2.39 0.24 0.00 -0.52 0.00 0.00 37.83 35.07 1k2t s LYS 397 CO 0.14 0.07 1.54 -0.25 -0.92 0.00 0.00 175.35 175.93 1k2t n ASP 398 N -0.71 -0.64 -0.30 2.83 9.92 -1.26 -0.50 116.55 125.89 1k2t n ASP 398 Ca 0.03 1.73 0.06 0.00 -0.53 0.00 0.00 54.79 56.08 1k2t n ASP 398 Cb 0.53 -0.40 0.22 0.00 -0.64 0.00 0.00 41.12 40.83 1k2t n ASP 398 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 1k2t h THR 399 N 0.00 0.80 -0.02 -3.53 1.35 -2.00 -0.71 112.91 108.80 1k2t h THR 399 Ca 0.35 -0.24 -0.14 0.00 -0.55 0.00 0.00 66.41 65.83 1k2t h THR 399 Cb 0.59 0.02 -0.02 0.00 -1.73 0.00 0.00 68.15 67.02 1k2t h THR 399 CO -0.98 0.13 -0.62 -0.33 -0.25 0.00 0.00 175.52 173.47 1k2t h GLU 400 N 0.71 0.07 0.24 4.72 5.08 -1.16 -1.59 114.58 122.66 1k2t h GLU 400 Ca 0.45 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.75 1k2t h GLU 400 Cb 0.57 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1k2t h GLU 400 CO -0.32 0.67 -0.12 1.25 -1.00 0.00 0.00 179.01 179.49 1k2t h LEU 401 N 0.05 -0.28 -0.33 1.33 5.85 0.07 0.03 115.31 122.03 1k2t h LEU 401 Ca -0.01 -0.22 0.07 0.00 0.84 0.00 0.00 57.88 58.57 1k2t h LEU 401 Cb 1.11 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 42.15 1k2t h LEU 401 CO 0.09 0.09 -0.10 0.40 -0.34 0.00 0.00 178.44 178.58 1k2t h ILE 402 N -0.69 0.63 -0.45 4.05 2.04 -1.16 0.18 117.51 122.11 1k2t h ILE 402 Ca -0.03 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.84 1k2t h ILE 402 Cb 0.48 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1k2t h ILE 402 CO 0.06 0.00 0.29 0.22 0.00 0.00 0.00 178.15 178.72 1k2t h TYR 403 N -0.03 0.55 -0.44 1.37 3.20 -1.27 -2.03 116.97 118.31 1k2t h TYR 403 Ca 0.16 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 1k2t h TYR 403 Cb 0.27 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 1k2t h TYR 403 CO -0.32 0.34 0.24 0.78 -1.64 0.00 0.00 178.16 177.56 1k2t h GLY 404 N 0.59 0.66 0.84 1.82 0.00 -0.34 -1.68 103.07 104.96 1k2t h GLY 404 Ca 0.17 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1k2t h GLY 404 CO -0.05 0.29 -0.14 0.00 0.00 0.00 0.00 176.54 176.64 1k2t h ALA 405 N 1.09 -0.29 -0.99 3.60 0.00 -0.75 -0.42 119.26 121.50 1k2t h ALA 405 Ca 0.16 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.09 1k2t h ALA 405 Cb 0.05 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 1k2t h ALA 405 CO -0.02 -0.68 0.64 0.87 0.00 0.00 0.00 179.25 180.05 1k2t h LYS 406 N -0.32 1.11 0.00 0.00 1.57 -1.29 -2.05 116.57 115.57 1k2t h LYS 406 Ca -0.00 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1k2t h LYS 406 Cb 0.30 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1k2t h LYS 406 CO -0.03 0.73 -0.13 0.45 -0.57 0.00 0.00 179.45 179.90 1k2t h HIS 407 N 1.14 0.00 -0.45 -1.35 3.86 -0.96 0.36 115.15 117.75 1k2t h HIS 407 Ca 0.43 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.50 1k2t h HIS 407 Cb 0.19 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 1k2t h HIS 407 CO -0.00 0.13 -0.27 0.00 0.86 0.00 0.00 177.93 178.65 1k2t h ALA 408 N 1.87 0.65 -0.02 2.45 0.00 -0.36 -0.60 119.26 123.24 1k2t h ALA 408 Ca -0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1k2t h ALA 408 Cb 0.94 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1k2t h ALA 408 CO 0.02 0.68 -0.01 2.35 0.00 0.00 0.00 179.25 182.29 1k2t h TRP 409 N 0.84 0.05 -0.85 0.00 7.01 -1.25 -2.03 115.95 119.72 1k2t h TRP 409 Ca 0.09 -0.01 0.18 0.00 2.11 0.00 0.00 58.89 61.26 1k2t h TRP 409 Cb 0.86 -0.01 -0.06 0.00 -2.10 0.00 0.00 29.16 27.85 1k2t h TRP 409 CO 0.06 0.43 0.56 -0.09 -2.79 0.00 0.00 178.44 176.61 1k2t h ARG 410 N -0.33 0.40 -0.01 2.65 2.43 -0.79 -0.62 114.38 118.10 1k2t h ARG 410 Ca 0.01 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1k2t h ARG 410 Cb 0.41 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1k2t h ARG 410 CO 0.00 0.26 -0.30 0.09 -1.51 0.00 0.00 179.97 178.51 1k2t n ASN 411 N -4.49 0.87 -4.55 -3.80 3.02 -0.24 -4.82 115.26 101.24 1k2t n ASN 411 Ca 0.17 -0.72 -0.32 0.00 -0.03 0.00 0.00 54.58 53.68 1k2t n ASN 411 Cb 0.64 0.15 -0.04 0.00 -0.61 0.00 0.00 39.78 39.91 1k2t n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1k2t s ALA 412 N -2.61 1.79 -0.02 5.41 0.00 -0.24 -4.74 121.76 121.35 1k2t s ALA 412 Ca 0.22 -0.89 0.27 0.00 0.00 0.00 0.00 51.96 51.55 1k2t s ALA 412 Cb 0.19 -4.42 1.44 0.00 0.00 0.00 0.00 23.12 20.33 1k2t s ALA 412 CO 0.56 -4.48 1.82 0.66 0.00 0.00 0.00 175.76 174.33 1k2t h SER 413 N 14.00 0.00 0.15 0.00 4.64 -1.88 -2.03 113.55 128.44 1k2t h SER 413 Ca -0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1k2t h SER 413 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1k2t h SER 413 CO 1.19 0.00 -0.56 0.54 -0.87 0.00 0.00 176.83 177.13 1k2t n ARG 414 N -2.45 0.57 -3.16 4.77 1.74 -1.26 0.06 116.66 116.93 1k2t n ARG 414 Ca -0.02 -0.42 -0.40 0.00 -0.77 0.00 0.00 57.85 56.25 1k2t n ARG 414 Cb 0.06 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 29.95 1k2t n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1k2t h VAL 416 N 5.06 0.00 -0.66 0.00 3.04 -1.91 -3.35 116.25 118.43 1k2t h VAL 416 Ca -0.34 -0.58 -0.10 0.00 -1.01 0.00 0.00 66.70 64.67 1k2t h VAL 416 Cb 1.16 1.24 -0.06 0.00 -2.01 0.00 0.00 31.29 31.62 1k2t h VAL 416 CO 0.76 0.00 0.12 0.61 -1.01 0.00 0.00 177.57 178.06 1k2t n GLY 417 N 1.30 3.29 0.00 3.17 0.00 -1.26 -4.34 105.19 107.35 1k2t n GLY 417 Ca 0.03 -0.96 0.01 0.00 0.00 0.00 0.00 46.02 45.10 1k2t n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k2t n ARG 418 N 0.28 0.04 0.28 1.61 1.74 -1.26 -2.35 116.66 117.00 1k2t n ARG 418 Ca 0.34 0.11 0.15 0.00 -0.77 0.00 0.00 57.85 57.69 1k2t n ARG 418 Cb 1.29 -1.50 0.77 0.00 -1.02 0.00 0.00 32.46 32.01 1k2t n ARG 418 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1k2t h ILE 419 N 0.00 0.32 -0.21 0.55 2.10 -1.89 -0.70 117.51 117.68 1k2t h ILE 419 Ca 0.00 -0.50 0.00 0.00 1.08 0.00 0.00 64.86 65.44 1k2t h ILE 419 Cb 0.01 1.37 0.00 0.00 -1.09 0.00 0.00 36.82 37.11 1k2t h ILE 419 CO 0.00 0.08 0.00 0.00 -1.08 0.00 0.00 178.15 177.15 1k2t n GLN 420 N -3.37 1.94 -0.32 2.19 1.13 -0.99 -4.66 117.38 113.29 1k2t n GLN 420 Ca -0.01 -1.41 0.18 0.00 -1.94 0.00 0.00 57.00 53.82 1k2t n GLN 420 Cb 0.25 -1.43 0.37 0.00 0.11 0.00 0.00 30.24 29.54 1k2t n GLN 420 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 1k2t h TRP 421 N 2.84 0.47 0.00 1.08 5.08 -1.33 0.25 115.95 124.35 1k2t h TRP 421 Ca 0.00 0.05 -0.03 0.00 1.08 0.00 0.00 58.89 59.99 1k2t h TRP 421 Cb 0.62 -0.05 -0.00 0.00 -3.00 0.00 0.00 29.16 26.72 1k2t h TRP 421 CO 0.13 -0.28 -0.15 0.66 -1.28 0.00 0.00 178.44 177.53 1k2t h SER 422 N 0.17 0.00 -1.96 0.11 4.64 -1.84 -3.36 113.55 111.31 1k2t h SER 422 Ca 0.64 0.00 -0.76 0.00 -0.47 0.00 0.00 61.79 61.20 1k2t h SER 422 Cb 1.41 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.31 1k2t h SER 422 CO -0.71 0.15 1.56 0.29 -0.87 0.00 0.00 176.83 177.26 1k2t n LYS 423 N -3.20 3.71 -4.57 4.77 5.02 0.08 -4.92 118.16 119.05 1k2t n LYS 423 Ca 0.02 -3.84 -0.25 0.00 -2.02 0.00 0.00 58.31 52.23 1k2t n LYS 423 Cb 0.49 -2.86 -0.17 0.00 -0.02 0.00 0.00 35.03 32.48 1k2t n LYS 423 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1k2t s LEU 424 N -0.28 1.63 -0.27 -0.35 2.96 -1.26 -4.58 118.68 116.54 1k2t s LEU 424 Ca 0.38 -0.30 -0.20 0.00 -0.22 0.00 0.00 54.13 53.80 1k2t s LEU 424 Cb 0.05 -0.82 -0.02 0.00 0.50 0.00 0.00 46.19 45.90 1k2t s LEU 424 CO 0.02 0.03 0.62 -1.58 -1.32 0.00 0.00 176.35 174.12 1k2t s GLN 425 N 0.68 4.03 -0.23 1.98 2.00 -0.96 -4.97 119.66 122.18 1k2t s GLN 425 Ca -0.14 0.44 -0.09 0.00 -2.00 0.00 0.00 55.36 53.57 1k2t s GLN 425 Cb -0.16 -3.68 -0.04 0.00 0.80 0.00 0.00 33.01 29.93 1k2t s GLN 425 CO 0.04 -0.47 0.12 0.08 -0.50 0.00 0.00 175.29 174.56 1k2t s VAL 426 N 2.53 5.01 -0.31 1.34 1.01 -1.26 -1.40 120.40 127.32 1k2t s VAL 426 Ca 0.25 0.06 -0.07 0.00 0.00 0.00 0.00 61.98 62.23 1k2t s VAL 426 Cb -0.15 -3.33 0.02 0.00 0.00 0.00 0.00 36.38 32.91 1k2t s VAL 426 CO 0.10 0.36 0.09 -0.36 0.00 0.00 0.00 175.10 175.28 1k2t s PHE 427 N 1.12 3.17 -0.52 5.22 0.08 0.31 -4.98 117.98 122.39 1k2t s PHE 427 Ca 0.06 -1.08 -0.28 0.00 0.12 0.00 0.00 56.93 55.75 1k2t s PHE 427 Cb -0.14 -2.26 0.02 0.00 -0.57 0.00 0.00 43.02 40.07 1k2t s PHE 427 CO 0.04 -0.61 1.32 0.34 -0.10 0.00 0.00 175.22 176.21 1k2t s ASP 428 N 1.48 6.32 -0.20 1.36 -1.08 -1.26 -1.41 116.67 121.88 1k2t s ASP 428 Ca 0.02 0.40 0.16 0.00 -0.52 0.00 0.00 52.55 52.61 1k2t s ASP 428 Cb -0.18 -2.55 0.54 0.00 -1.46 0.00 0.00 42.92 39.28 1k2t s ASP 428 CO 0.03 -1.53 1.45 0.00 0.52 0.00 0.00 175.17 175.64 1k2t n ALA 429 N 8.89 3.18 0.23 3.66 0.00 0.17 -4.68 120.51 131.95 1k2t n ALA 429 Ca 0.12 -2.38 0.04 0.00 0.00 0.00 0.00 53.44 51.23 1k2t n ALA 429 Cb 0.49 -0.74 0.19 0.00 0.00 0.00 0.00 19.45 19.38 1k2t n ALA 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1k2t n ARG 430 N -0.53 0.02 -0.00 0.00 1.74 -0.89 -1.77 116.66 115.22 1k2t n ARG 430 Ca 0.23 0.40 0.13 0.00 -0.77 0.00 0.00 57.85 57.84 1k2t n ARG 430 Cb 0.93 -1.55 0.26 0.00 -1.02 0.00 0.00 32.46 31.08 1k2t n ARG 430 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1k2t n ASP 431 N -1.59 2.45 -4.73 0.55 5.75 -1.26 -4.44 116.55 113.28 1k2t n ASP 431 Ca 0.01 -1.81 -0.34 0.00 -0.01 0.00 0.00 54.79 52.64 1k2t n ASP 431 Cb 0.08 -0.00 0.09 0.00 -1.03 0.00 0.00 41.12 40.26 1k2t n ASP 431 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1k2t n THR 433 N -2.78 0.00 -4.29 0.00 -2.24 -1.26 -4.81 114.28 98.90 1k2t n THR 433 Ca 0.12 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.75 1k2t n THR 433 Cb 0.51 0.29 -0.10 0.00 -2.10 0.00 0.00 70.33 68.92 1k2t n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1k2t s THR 434 N 0.00 0.85 0.36 4.28 -4.23 -1.26 -4.71 115.64 110.94 1k2t s THR 434 Ca 0.00 -2.01 0.08 0.00 -1.18 0.00 0.00 61.69 58.58 1k2t s THR 434 Cb 0.00 -2.24 0.13 0.00 1.34 0.00 0.00 72.50 71.73 1k2t s THR 434 CO 0.00 -0.39 1.86 0.00 -0.54 0.00 0.00 174.62 175.55 1k2t h ALA 435 N 2.58 1.40 -0.49 3.99 0.00 -1.91 0.56 119.26 125.38 1k2t h ALA 435 Ca -0.37 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.15 1k2t h ALA 435 Cb 1.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1k2t h ALA 435 CO 0.63 0.42 -0.20 0.45 0.00 0.00 0.00 179.25 180.55 1k2t h HIS 436 N 0.24 1.13 -0.33 0.00 3.86 -1.95 -0.27 115.15 117.82 1k2t h HIS 436 Ca 0.04 -0.27 -0.00 0.00 -1.16 0.00 0.00 60.37 58.99 1k2t h HIS 436 Cb 0.48 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.67 1k2t h HIS 436 CO 0.01 1.09 0.20 0.78 0.86 0.00 0.00 177.93 180.86 1k2t h GLY 437 N 0.89 0.49 0.79 2.45 0.00 -1.70 -1.01 103.07 104.98 1k2t h GLY 437 Ca 0.12 -0.21 0.05 0.00 0.00 0.00 0.00 47.33 47.29 1k2t h GLY 437 CO 0.06 0.20 0.53 -0.33 0.00 0.00 0.00 176.54 177.00 1k2t h MET 438 N 0.43 0.96 -0.72 4.80 0.00 -0.65 -0.53 114.93 119.22 1k2t h MET 438 Ca 0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 59.70 59.75 1k2t h MET 438 Cb 0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 31.60 31.37 1k2t h MET 438 CO -0.02 0.64 0.42 0.35 0.00 0.00 0.00 176.91 178.29 1k2t h PHE 439 N 0.99 0.96 0.05 -0.22 3.04 -0.41 0.15 116.94 121.49 1k2t h PHE 439 Ca 0.35 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.29 1k2t h PHE 439 Cb 0.09 -0.31 0.00 0.00 2.56 0.00 0.00 35.95 38.29 1k2t h PHE 439 CO -0.03 0.65 -0.03 -0.97 -2.02 0.00 0.00 178.31 175.92 1k2t h ASN 440 N 0.98 -0.06 -0.65 0.41 -1.24 -0.33 0.75 115.58 115.44 1k2t h ASN 440 Ca 0.26 -0.08 0.03 0.00 0.71 0.00 0.00 56.30 57.22 1k2t h ASN 440 Cb -0.01 0.02 -0.04 0.00 0.73 0.00 0.00 38.32 39.01 1k2t h ASN 440 CO -0.05 0.04 0.40 1.88 -1.29 0.00 0.00 177.43 178.42 1k2t h TYR 441 N -0.16 0.76 -0.12 0.67 -1.99 -0.84 -2.27 116.97 113.02 1k2t h TYR 441 Ca -0.01 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.74 1k2t h TYR 441 Cb 0.14 -0.25 -0.01 0.00 2.00 0.00 0.00 36.73 38.61 1k2t h TYR 441 CO -0.05 0.43 0.06 0.82 -0.00 0.00 0.00 178.16 179.42 1k2t h ILE 442 N 0.79 1.11 -0.48 -2.88 2.04 -0.44 -1.56 117.51 116.09 1k2t h ILE 442 Ca 0.26 -0.32 0.06 0.00 1.00 0.00 0.00 64.86 65.86 1k2t h ILE 442 Cb 0.02 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.16 1k2t h ILE 442 CO -0.11 0.10 0.18 0.00 0.00 0.00 0.00 178.15 178.32 1k2t h ASN 444 N 0.36 0.83 0.08 0.00 2.35 -1.28 -0.78 115.58 117.14 1k2t h ASN 444 Ca 0.22 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1k2t h ASN 444 Cb 0.22 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1k2t h ASN 444 CO -0.22 0.73 -0.04 -0.74 -1.65 0.00 0.00 177.43 175.51 1k2t h HIS 445 N 0.90 -0.10 -0.70 1.19 2.76 -0.27 0.22 115.15 119.16 1k2t h HIS 445 Ca 0.22 -0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.42 1k2t h HIS 445 Cb 0.14 0.03 -0.05 0.00 1.55 0.00 0.00 27.41 29.09 1k2t h HIS 445 CO 0.01 0.05 0.43 0.28 -1.30 0.00 0.00 177.93 177.41 1k2t h VAL 446 N -0.23 1.08 -0.43 5.26 2.07 -0.67 0.96 116.25 124.29 1k2t h VAL 446 Ca -0.01 -0.29 -0.12 0.00 0.82 0.00 0.00 66.70 67.10 1k2t h VAL 446 Cb 0.19 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1k2t h VAL 446 CO 0.02 0.15 -0.19 0.50 0.02 0.00 0.00 177.57 178.07 1k2t h LYS 447 N 0.84 0.89 -0.40 1.57 3.64 -0.99 0.39 116.57 122.51 1k2t h LYS 447 Ca 0.29 -0.38 -0.07 0.00 -1.27 0.00 0.00 60.65 59.21 1k2t h LYS 447 Cb 0.04 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1k2t h LYS 447 CO -0.12 1.03 -0.04 -0.92 -2.27 0.00 0.00 179.45 177.13 1k2t h TYR 448 N 0.71 0.81 -0.20 1.91 3.20 -0.67 -1.95 116.97 120.78 1k2t h TYR 448 Ca 0.10 -0.16 -0.17 0.00 3.14 0.00 0.00 58.73 61.64 1k2t h TYR 448 Cb 0.76 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.83 1k2t h TYR 448 CO 0.06 0.83 -0.54 0.00 -1.64 0.00 0.00 178.16 176.87 1k2t h ALA 449 N 0.87 0.34 -0.08 1.82 0.00 -0.77 -3.26 119.26 118.18 1k2t h ALA 449 Ca 0.11 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1k2t h ALA 449 Cb 0.54 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1k2t h ALA 449 CO 0.03 0.55 0.01 1.15 0.00 0.00 0.00 179.25 180.99 1k2t h THR 450 N 0.44 1.21 -6.57 0.00 2.02 -0.95 -0.18 112.91 108.88 1k2t h THR 450 Ca -0.01 -0.66 -0.52 0.00 0.77 0.00 0.00 66.41 65.99 1k2t h THR 450 Cb 1.16 1.51 -0.13 0.00 -1.74 0.00 0.00 68.15 68.94 1k2t h THR 450 CO 0.12 0.18 -0.82 -3.20 0.37 0.00 0.00 175.52 172.18 1k2t n ASN 451 N -4.88 -3.42 -3.57 4.18 4.05 -0.73 -1.77 115.26 109.11 1k2t n ASN 451 Ca -0.06 -0.93 -0.22 0.00 0.45 0.00 0.00 54.58 53.81 1k2t n ASN 451 Cb 0.16 -3.18 0.08 0.00 1.23 0.00 0.00 39.78 38.07 1k2t n ASN 451 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1k2t n LYS 452 N -4.48 -7.14 0.00 1.20 5.02 -1.26 -2.63 118.16 108.87 1k2t n LYS 452 Ca 0.02 0.80 0.00 0.00 -2.02 0.00 0.00 58.31 57.11 1k2t n LYS 452 Cb 0.53 -5.81 0.00 0.00 -0.02 0.00 0.00 35.03 29.73 1k2t n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1k2t n GLY 453 N -1.66 2.85 3.19 0.72 0.00 -0.73 -4.93 105.19 104.64 1k2t n GLY 453 Ca -0.11 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 1k2t n GLY 453 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1k2t n ASN 454 N 0.31 5.08 -4.60 1.61 4.05 -1.08 -0.50 115.26 120.12 1k2t n ASN 454 Ca 0.00 -3.02 -0.38 0.00 0.45 0.00 0.00 54.58 51.63 1k2t n ASN 454 Cb 0.00 -1.55 0.05 0.00 1.23 0.00 0.00 39.78 39.51 1k2t n ASN 454 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1k2t n LEU 455 N 5.13 3.38 -3.78 1.20 4.77 -1.19 -4.48 117.00 122.03 1k2t n LEU 455 Ca 0.40 0.82 -0.17 0.00 -0.03 0.00 0.00 56.01 57.03 1k2t n LEU 455 Cb 0.40 -1.37 -0.16 0.00 -2.33 0.00 0.00 43.42 39.95 1k2t n LEU 455 CO 0.73 -1.90 -0.36 -0.13 -1.33 0.00 0.00 177.39 174.40 1k2t s ARG 456 N -2.64 0.17 0.44 3.23 0.52 -0.08 -5.02 118.95 115.58 1k2t s ARG 456 Ca 0.74 0.15 -0.26 0.00 -0.52 0.00 0.00 55.73 55.84 1k2t s ARG 456 Cb -0.43 -0.45 -0.09 0.00 0.52 0.00 0.00 34.95 34.51 1k2t s ARG 456 CO 0.49 -0.18 1.44 -1.12 0.02 0.00 0.00 175.30 175.94 1k2t s SER 457 N 1.24 5.93 0.18 0.23 0.01 -1.26 -4.44 113.70 115.59 1k2t s SER 457 Ca -0.07 2.94 -0.24 0.00 1.31 0.00 0.00 55.95 59.89 1k2t s SER 457 Cb -0.13 -2.66 0.06 0.00 0.21 0.00 0.00 66.02 63.50 1k2t s SER 457 CO -0.02 -1.14 0.77 0.00 0.41 0.00 0.00 173.24 173.25 1k2t s ALA 458 N -1.19 -1.51 -0.14 1.44 0.00 0.00 -2.27 121.76 118.10 1k2t s ALA 458 Ca 0.60 0.19 -0.12 0.00 0.00 0.00 0.00 51.96 52.63 1k2t s ALA 458 Cb -0.44 0.75 0.04 0.00 0.00 0.00 0.00 23.12 23.46 1k2t s ALA 458 CO 0.57 -0.92 0.36 -1.50 0.00 0.00 0.00 175.76 174.27 1k2t s ILE 459 N -3.61 -0.00 -0.15 0.00 2.07 -0.49 0.30 121.20 119.32 1k2t s ILE 459 Ca 0.08 0.01 0.01 0.00 -1.41 0.00 0.00 60.65 59.34 1k2t s ILE 459 Cb -0.03 -0.51 0.00 0.00 0.13 0.00 0.00 42.46 42.06 1k2t s ILE 459 CO -0.02 0.00 -0.18 -0.89 -1.91 0.00 0.00 174.94 171.95 1k2t s THR 460 N 0.29 2.42 -0.32 4.00 2.01 -0.04 -0.53 115.64 123.48 1k2t s THR 460 Ca -0.01 -0.85 -0.06 0.00 0.31 0.00 0.00 61.69 61.08 1k2t s THR 460 Cb -0.03 -2.00 0.03 0.00 0.01 0.00 0.00 72.50 70.51 1k2t s THR 460 CO -0.01 0.53 0.09 -0.63 -0.69 0.00 0.00 174.62 173.91 1k2t s ILE 461 N 0.85 3.74 0.83 1.82 1.01 -0.50 -2.96 121.20 125.99 1k2t s ILE 461 Ca -0.05 -1.05 -0.09 0.00 0.00 0.00 0.00 60.65 59.45 1k2t s ILE 461 Cb -0.15 -3.07 0.14 0.00 0.01 0.00 0.00 42.46 39.39 1k2t s ILE 461 CO -0.01 -0.10 1.15 -0.36 0.00 0.00 0.00 174.94 175.61 1k2t s PHE 462 N 1.41 1.98 0.21 3.97 0.08 -0.59 -0.66 117.98 124.37 1k2t s PHE 462 Ca -0.01 0.21 -0.32 0.00 0.12 0.00 0.00 56.93 56.93 1k2t s PHE 462 Cb -0.19 -3.56 -0.15 0.00 -0.57 0.00 0.00 43.02 38.56 1k2t s PHE 462 CO 0.02 -2.05 1.22 -2.30 -0.10 0.00 0.00 175.22 172.01 1k2t n PRO 463 N -3.29 1.45 -1.49 0.24 -0.02 -1.26 -4.62 135.00 126.01 1k2t n PRO 463 Ca 0.13 0.51 -0.33 0.00 -2.02 0.00 0.00 63.50 61.80 1k2t n PRO 463 Cb 0.60 -2.04 0.08 0.00 -0.02 0.00 0.00 33.50 32.11 1k2t n PRO 463 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1k2t s GLN 464 N -0.54 2.39 0.41 -0.52 -2.07 -1.26 -4.61 119.66 113.44 1k2t s GLN 464 Ca 0.70 1.44 -0.27 0.00 -1.82 0.00 0.00 55.36 55.42 1k2t s GLN 464 Cb -0.77 -1.89 -0.09 0.00 -1.09 0.00 0.00 33.01 29.16 1k2t s GLN 464 CO 0.52 -1.58 1.40 0.50 -1.32 0.00 0.00 175.29 174.81 1k2t s ARG 465 N -4.26 3.93 0.00 9.60 3.52 0.12 -4.97 118.95 126.90 1k2t s ARG 465 Ca 0.67 2.37 0.00 0.00 -0.13 0.00 0.00 55.73 58.65 1k2t s ARG 465 Cb -0.22 -2.80 0.00 0.00 -1.56 0.00 0.00 34.95 30.37 1k2t s ARG 465 CO 0.47 -0.60 0.00 0.25 -0.81 0.00 0.00 175.30 174.61 1k2t n THR 466 N 0.16 0.00 0.06 4.11 -2.24 -1.26 -4.78 114.28 110.33 1k2t n THR 466 Ca 0.03 0.06 0.04 0.00 -2.27 0.00 0.00 64.05 61.91 1k2t n THR 466 Cb 0.42 -0.90 0.07 0.00 -2.10 0.00 0.00 70.33 67.81 1k2t n THR 466 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1k2t n ASP 467 N -1.94 2.17 0.00 3.42 5.75 -1.26 -4.97 116.55 119.72 1k2t n ASP 467 Ca 0.00 -1.70 0.00 0.00 -0.01 0.00 0.00 54.79 53.08 1k2t n ASP 467 Cb 0.00 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 1k2t n ASP 467 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1k2t n GLY 468 N 0.25 2.66 0.02 6.12 0.00 -1.26 -4.73 105.19 108.25 1k2t n GLY 468 Ca 0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.19 1k2t n GLY 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k2t n LYS 469 N -1.92 0.13 -2.55 1.61 5.02 -1.26 -4.15 118.16 115.04 1k2t n LYS 469 Ca 0.00 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.02 1k2t n LYS 469 Cb 0.00 -1.55 -0.01 0.00 -0.02 0.00 0.00 35.03 33.46 1k2t n LYS 469 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1k2t n HIS 470 N -1.72 3.52 -3.16 2.13 8.25 -1.26 -3.95 115.22 119.03 1k2t n HIS 470 Ca 0.04 -3.26 -0.39 0.00 -0.26 0.00 0.00 57.72 53.85 1k2t n HIS 470 Cb 0.38 -0.14 -0.05 0.00 1.12 0.00 0.00 29.99 31.29 1k2t n HIS 470 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1k2t s ASP 471 N -3.53 7.01 0.02 0.41 1.11 -1.26 -3.93 116.67 116.50 1k2t s ASP 471 Ca 0.48 1.20 -0.22 0.00 0.18 0.00 0.00 52.55 54.20 1k2t s ASP 471 Cb 0.38 -2.38 -0.06 0.00 1.07 0.00 0.00 42.92 41.93 1k2t s ASP 471 CO -0.18 0.06 0.64 -0.36 1.18 0.00 0.00 175.17 176.51 1k2t s PHE 472 N -0.05 3.71 -0.06 4.23 0.40 -1.26 -1.93 117.98 123.02 1k2t s PHE 472 Ca 0.33 1.28 -0.13 0.00 -0.60 0.00 0.00 56.93 57.80 1k2t s PHE 472 Cb -0.18 -2.65 0.03 0.00 0.51 0.00 0.00 43.02 40.72 1k2t s PHE 472 CO 0.18 0.35 0.31 1.03 0.70 0.00 0.00 175.22 177.80 1k2t s ARG 473 N -0.24 0.56 -0.35 0.44 1.81 0.00 -3.35 118.95 117.81 1k2t s ARG 473 Ca 0.33 0.06 -0.05 0.00 -1.72 0.00 0.00 55.73 54.34 1k2t s ARG 473 Cb -0.19 0.25 0.06 0.00 -0.45 0.00 0.00 34.95 34.62 1k2t s ARG 473 CO 0.19 -0.13 0.12 0.08 -0.68 0.00 0.00 175.30 174.88 1k2t s VAL 474 N -0.75 3.56 0.47 3.52 1.01 -1.26 -0.11 120.40 126.85 1k2t s VAL 474 Ca -0.08 -1.40 0.39 0.00 0.00 0.00 0.00 61.98 60.89 1k2t s VAL 474 Cb -0.04 -3.12 0.41 0.00 0.00 0.00 0.00 36.38 33.63 1k2t s VAL 474 CO 0.03 -0.30 2.22 -0.50 0.00 0.00 0.00 175.10 176.55 1k2t h TRP 475 N 8.16 0.00 -4.17 5.22 4.06 -1.50 -3.41 115.95 124.31 1k2t h TRP 475 Ca -0.21 0.00 -0.50 0.00 2.06 0.00 0.00 58.89 60.24 1k2t h TRP 475 Cb 1.07 0.00 0.08 0.00 -1.00 0.00 0.00 29.16 29.31 1k2t h TRP 475 CO 0.59 0.01 0.39 -0.80 -3.56 0.00 0.00 178.44 175.08 1k2t s ASN 476 N -5.47 5.51 0.05 -3.49 -0.87 -1.26 -4.93 114.94 104.47 1k2t s ASN 476 Ca -0.03 1.98 -0.01 0.00 -1.57 0.00 0.00 52.86 53.23 1k2t s ASN 476 Cb 0.12 -2.55 -0.27 0.00 -0.02 0.00 0.00 41.25 38.53 1k2t s ASN 476 CO 0.48 -1.36 1.03 0.77 -2.57 0.00 0.00 177.10 175.45 1k2t h SER 477 N 0.50 0.33 -4.78 -1.22 4.64 -1.90 -3.34 113.55 107.78 1k2t h SER 477 Ca -0.48 -0.40 -0.22 0.00 -0.47 0.00 0.00 61.79 60.23 1k2t h SER 477 Cb 1.24 -0.11 -0.22 0.00 -0.31 0.00 0.00 62.40 63.01 1k2t h SER 477 CO 0.56 1.32 -0.72 -1.10 -0.87 0.00 0.00 176.83 176.02 1k2t s GLN 478 N -2.65 0.39 0.38 4.77 -0.21 -1.26 -1.00 119.66 120.08 1k2t s GLN 478 Ca -0.05 -0.62 0.06 0.00 0.02 0.00 0.00 55.36 54.77 1k2t s GLN 478 Cb 0.07 -0.08 0.78 0.00 1.00 0.00 0.00 33.01 34.78 1k2t s GLN 478 CO 0.86 0.00 1.99 -0.07 -2.12 0.00 0.00 175.29 175.95 1k2t h LEU 479 N 4.73 0.60 -7.77 2.90 3.38 -1.53 -3.39 115.31 114.23 1k2t h LEU 479 Ca -0.33 -0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.04 1k2t h LEU 479 Cb 1.21 -0.14 -0.37 0.00 0.09 0.00 0.00 40.66 41.45 1k2t h LEU 479 CO 0.42 0.41 -0.81 -0.63 0.09 0.00 0.00 178.44 177.91 1k2t s ILE 480 N -5.61 1.51 0.05 1.22 1.01 -1.26 -4.89 121.20 113.22 1k2t s ILE 480 Ca -0.09 -0.84 -0.16 0.00 0.00 0.00 0.00 60.65 59.56 1k2t s ILE 480 Cb 0.19 -1.56 0.03 0.00 0.01 0.00 0.00 42.46 41.12 1k2t s ILE 480 CO 0.76 0.23 0.37 -0.13 0.00 0.00 0.00 174.94 176.17 1k2t s ARG 481 N 1.47 0.89 0.35 2.79 0.52 -1.26 -4.87 118.95 118.84 1k2t s ARG 481 Ca 0.01 -0.44 -0.11 0.00 -0.52 0.00 0.00 55.73 54.66 1k2t s ARG 481 Cb -0.15 0.39 -0.07 0.00 0.52 0.00 0.00 34.95 35.64 1k2t s ARG 481 CO -0.09 -0.30 0.71 0.71 0.02 0.00 0.00 175.30 176.36 1k2t s TYR 482 N -2.59 3.43 0.64 -0.53 4.12 -1.26 -1.20 117.35 119.96 1k2t s TYR 482 Ca -0.05 1.05 -0.14 0.00 0.02 0.00 0.00 57.07 57.96 1k2t s TYR 482 Cb -0.01 -2.42 -0.02 0.00 -1.52 0.00 0.00 41.96 38.00 1k2t s TYR 482 CO -0.03 0.03 1.06 0.00 0.02 0.00 0.00 175.55 176.63 1k2t s ALA 483 N -2.15 2.71 -0.05 3.71 0.00 0.13 -4.58 121.76 121.52 1k2t s ALA 483 Ca 0.51 0.26 -0.01 0.00 0.00 0.00 0.00 51.96 52.72 1k2t s ALA 483 Cb -0.10 -3.21 0.03 0.00 0.00 0.00 0.00 23.12 19.84 1k2t s ALA 483 CO 0.25 -1.00 0.01 0.20 0.00 0.00 0.00 175.76 175.23 1k2t s GLY 484 N -3.22 0.32 -0.01 0.00 0.00 -1.24 -1.17 107.32 102.00 1k2t s GLY 484 Ca 0.61 0.06 0.05 0.00 0.00 0.00 0.00 44.72 45.45 1k2t s GLY 484 CO 0.45 0.97 -0.18 -0.19 0.00 0.00 0.00 173.10 174.15 1k2t s TYR 485 N 1.62 1.59 -0.40 1.90 1.51 0.11 -3.95 117.35 119.73 1k2t s TYR 485 Ca -0.01 -0.30 -0.25 0.00 -1.01 0.00 0.00 57.07 55.50 1k2t s TYR 485 Cb -0.13 -1.02 0.02 0.00 -0.11 0.00 0.00 41.96 40.72 1k2t s TYR 485 CO -0.03 -0.03 0.88 0.15 -1.11 0.00 0.00 175.55 175.41 1k2t s LYS 486 N -0.42 3.69 0.81 -0.62 1.02 -1.26 0.81 119.74 123.77 1k2t s LYS 486 Ca 0.07 0.33 -0.10 0.00 0.02 0.00 0.00 55.97 56.29 1k2t s LYS 486 Cb -0.07 -3.85 0.12 0.00 -0.52 0.00 0.00 37.83 33.51 1k2t s LYS 486 CO -0.01 -1.02 1.15 -0.65 -0.92 0.00 0.00 175.35 173.90 1k2t s GLN 487 N 3.46 1.58 0.14 1.68 -0.21 -0.95 -4.95 119.66 120.42 1k2t s GLN 487 Ca 0.36 -0.33 -0.23 0.00 0.02 0.00 0.00 55.36 55.18 1k2t s GLN 487 Cb -0.12 -2.04 0.01 0.00 1.00 0.00 0.00 33.01 31.87 1k2t s GLN 487 CO 0.21 -1.72 1.64 -1.35 -2.12 0.00 0.00 175.29 171.94 1k2t h PRO 488 N -1.03 -0.24 -0.05 2.91 0.11 -1.96 -1.14 132.00 130.59 1k2t h PRO 488 Ca -0.44 0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.71 1k2t h PRO 488 Cb 1.29 0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.45 1k2t h PRO 488 CO 0.52 -0.16 0.76 0.22 -0.21 0.00 0.00 178.00 179.13 1k2t h ASP 489 N -0.25 0.00 0.00 -2.05 1.82 -2.03 -3.42 116.42 110.49 1k2t h ASP 489 Ca 0.12 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.76 1k2t h ASP 489 Cb 0.44 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.45 1k2t h ASP 489 CO -0.35 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 177.89 1k2t n GLY 490 N -1.41 0.49 0.00 -0.78 0.00 -0.43 -5.05 105.19 98.01 1k2t n GLY 490 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1k2t n GLY 490 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k2t n SER 491 N 0.00 -0.17 -3.90 1.61 3.41 -1.26 -4.81 113.62 108.50 1k2t n SER 491 Ca 0.00 -0.59 -0.20 0.00 -0.26 0.00 0.00 58.87 57.81 1k2t n SER 491 Cb 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 1k2t n SER 491 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1k2t s THR 492 N -0.68 0.58 -0.24 6.66 2.01 -1.26 -2.23 115.64 120.47 1k2t s THR 492 Ca 0.00 -0.14 -0.10 0.00 0.31 0.00 0.00 61.69 61.76 1k2t s THR 492 Cb 0.00 -0.60 -0.05 0.00 0.01 0.00 0.00 72.50 71.86 1k2t s THR 492 CO 0.00 0.24 0.14 -0.22 -0.69 0.00 0.00 174.62 174.09 1k2t s LEU 493 N 0.95 3.96 0.00 4.42 1.98 0.24 -4.92 118.68 125.30 1k2t s LEU 493 Ca -0.11 0.03 0.00 0.00 -2.89 0.00 0.00 54.13 51.17 1k2t s LEU 493 Cb -0.14 -2.07 0.00 0.00 0.66 0.00 0.00 46.19 44.64 1k2t s LEU 493 CO 0.00 0.03 0.00 0.61 -1.89 0.00 0.00 176.35 175.11 1k2t n GLY 494 N 4.49 0.59 3.51 7.98 0.00 -1.26 0.06 105.19 120.55 1k2t n GLY 494 Ca -0.15 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 1k2t n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1k2t s ASP 495 N -4.00 6.23 0.51 1.61 -1.08 -0.31 -4.74 116.67 114.88 1k2t s ASP 495 Ca 0.00 -0.45 0.18 0.00 -0.52 0.00 0.00 52.55 51.76 1k2t s ASP 495 Cb 0.00 -2.24 1.26 0.00 -1.46 0.00 0.00 42.92 40.47 1k2t s ASP 495 CO 0.00 -0.56 2.08 -0.65 0.52 0.00 0.00 175.17 176.56 1k2t h PRO 496 N 8.67 0.08 0.00 4.34 0.11 -1.81 -2.34 132.00 141.05 1k2t h PRO 496 Ca -0.27 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1k2t h PRO 496 Cb 1.12 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1k2t h PRO 496 CO 0.79 0.05 0.00 0.00 -0.21 0.00 0.00 178.00 178.63 1k2t h ALA 497 N 1.87 1.00 -0.02 -0.75 0.00 -1.93 -2.74 119.26 116.69 1k2t h ALA 497 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1k2t h ALA 497 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1k2t h ALA 497 CO -0.01 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.33 1k2t n ASN 498 N -2.55 1.46 -0.35 0.00 3.02 -0.88 -4.77 115.26 111.19 1k2t n ASN 498 Ca -0.01 -1.27 0.08 0.00 -0.03 0.00 0.00 54.58 53.35 1k2t n ASN 498 Cb 0.12 -0.01 0.17 0.00 -0.61 0.00 0.00 39.78 39.45 1k2t n ASN 498 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1k2t n VAL 499 N 0.19 -0.41 0.37 2.41 0.31 -1.03 -0.15 118.33 120.03 1k2t n VAL 499 Ca 0.03 2.21 -0.15 0.00 -0.01 0.00 0.00 64.34 66.42 1k2t n VAL 499 Cb 0.13 -3.09 -0.07 0.00 -0.91 0.00 0.00 33.84 29.90 1k2t n VAL 499 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1k2t h GLN 500 N 0.00 -0.91 -0.66 5.55 4.15 -1.83 -2.33 115.11 119.08 1k2t h GLN 500 Ca 0.49 0.06 0.14 0.00 0.77 0.00 0.00 58.65 60.11 1k2t h GLN 500 Cb 0.82 0.21 -0.12 0.00 0.21 0.00 0.00 27.48 28.60 1k2t h GLN 500 CO -0.98 -0.61 -0.06 0.35 -1.93 0.00 0.00 178.83 175.60 1k2t h PHE 501 N -0.97 -0.15 -0.98 3.99 3.57 -1.59 0.71 116.94 121.51 1k2t h PHE 501 Ca -0.10 0.05 0.24 0.00 3.53 0.00 0.00 57.97 61.70 1k2t h PHE 501 Cb 0.73 0.17 -0.08 0.00 2.79 0.00 0.00 35.95 39.56 1k2t h PHE 501 CO 0.06 -0.22 0.65 1.15 -2.23 0.00 0.00 178.31 177.72 1k2t h THR 502 N 0.07 0.58 0.26 4.41 2.02 -0.44 -0.70 112.91 119.11 1k2t h THR 502 Ca 0.34 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.38 1k2t h THR 502 Cb 0.55 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1k2t h THR 502 CO -0.61 0.06 -0.13 -0.33 0.37 0.00 0.00 175.52 174.89 1k2t h GLU 503 N 0.35 -0.34 -1.01 6.66 5.08 0.96 -2.79 114.58 123.50 1k2t h GLU 503 Ca 0.53 0.02 0.25 0.00 -1.00 0.00 0.00 59.36 59.17 1k2t h GLU 503 Cb 1.42 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 30.67 1k2t h GLU 503 CO -0.21 0.02 0.66 0.82 -1.00 0.00 0.00 179.01 179.31 1k2t h ILE 504 N -0.86 0.56 -0.40 3.13 2.04 -0.27 0.76 117.51 122.47 1k2t h ILE 504 Ca -0.04 -0.12 -0.07 0.00 1.00 0.00 0.00 64.86 65.64 1k2t h ILE 504 Cb 0.51 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1k2t h ILE 504 CO 0.06 0.06 -0.01 0.00 0.00 0.00 0.00 178.15 178.26 1k2t h ILE 506 N 0.54 1.27 0.00 0.00 2.04 -0.09 0.38 117.51 121.66 1k2t h ILE 506 Ca 0.11 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 64.76 1k2t h ILE 506 Cb 0.49 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1k2t h ILE 506 CO 0.02 0.42 0.00 1.67 0.00 0.00 0.00 178.15 180.26 1k2t n GLN 507 N -4.26 0.32 -0.03 2.37 7.27 0.22 -1.49 117.38 121.78 1k2t n GLN 507 Ca -0.00 0.01 -0.02 0.00 0.07 0.00 0.00 57.00 57.06 1k2t n GLN 507 Cb 0.38 -1.50 -0.06 0.00 2.41 0.00 0.00 30.24 31.47 1k2t n GLN 507 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1k2t n GLN 508 N -1.02 2.42 0.00 3.69 -0.06 -0.64 -5.01 117.38 116.75 1k2t n GLN 508 Ca 0.08 -0.01 0.00 0.00 -2.00 0.00 0.00 57.00 55.06 1k2t n GLN 508 Cb 0.04 -1.18 0.00 0.00 -4.06 0.00 0.00 30.24 25.04 1k2t n GLN 508 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1k2t n GLY 509 N 2.48 0.60 3.69 1.69 0.00 -0.50 -5.05 105.19 108.10 1k2t n GLY 509 Ca -0.10 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.48 1k2t n GLY 509 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1k2t n TRP 510 N 0.00 2.41 -3.08 1.61 -0.00 0.00 -4.90 117.44 113.48 1k2t n TRP 510 Ca 0.00 0.30 -0.45 0.00 -0.00 0.00 0.00 57.50 57.35 1k2t n TRP 510 Cb 0.00 -2.54 -0.02 0.00 -0.00 0.00 0.00 31.31 28.75 1k2t n TRP 510 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1k2t s LYS 511 N 0.13 3.57 0.13 5.87 1.02 -1.26 -4.30 119.74 124.91 1k2t s LYS 511 Ca 0.71 -1.98 -0.31 0.00 0.02 0.00 0.00 55.97 54.41 1k2t s LYS 511 Cb -0.61 -4.71 -0.10 0.00 -0.52 0.00 0.00 37.83 31.89 1k2t s LYS 511 CO 0.44 -1.59 1.73 0.00 -0.92 0.00 0.00 175.35 175.01 1k2t s ALA 512 N 1.80 3.78 -1.18 5.17 0.00 -1.26 -4.91 121.76 125.16 1k2t s ALA 512 Ca 0.26 1.40 0.26 0.00 0.00 0.00 0.00 51.96 53.89 1k2t s ALA 512 Cb -0.08 -3.72 1.19 0.00 0.00 0.00 0.00 23.12 20.52 1k2t s ALA 512 CO -0.08 -1.08 1.85 -2.30 0.00 0.00 0.00 175.76 174.14 1k2t n PRO 513 N 5.15 0.16 -3.59 0.00 -0.02 -1.26 -4.95 135.00 130.48 1k2t n PRO 513 Ca 0.16 0.05 -0.25 0.00 -2.02 0.00 0.00 63.50 61.45 1k2t n PRO 513 Cb 0.38 -1.50 0.04 0.00 -0.02 0.00 0.00 33.50 32.41 1k2t n PRO 513 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1k2t n ARG 514 N -1.41 -2.55 -4.59 -0.52 5.12 -1.26 -5.01 116.66 106.44 1k2t n ARG 514 Ca 0.09 0.60 -0.27 0.00 -1.93 0.00 0.00 57.85 56.33 1k2t n ARG 514 Cb 0.26 -4.83 -0.11 0.00 -1.16 0.00 0.00 32.46 26.63 1k2t n ARG 514 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1k2t s GLY 515 N -3.73 2.40 0.26 -0.13 0.00 -1.26 -5.05 107.32 99.81 1k2t s GLY 515 Ca 0.33 -2.24 0.03 0.00 0.00 0.00 0.00 44.72 42.84 1k2t s GLY 515 CO 0.82 -2.08 1.64 -0.09 0.00 0.00 0.00 173.10 173.40 1k2t h ARG 516 N 1.86 0.39 -2.10 2.90 2.43 -1.93 -3.36 114.38 114.57 1k2t h ARG 516 Ca -0.43 -0.20 -0.54 0.00 -0.81 0.00 0.00 59.98 58.00 1k2t h ARG 516 Cb 1.24 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 30.39 1k2t h ARG 516 CO 0.77 0.74 -0.96 1.19 -1.51 0.00 0.00 179.97 180.21 1k2t n PHE 517 N -4.02 1.58 -3.18 2.20 3.01 -1.26 -4.33 117.46 111.46 1k2t n PHE 517 Ca -0.02 -3.87 -0.39 0.00 1.01 0.00 0.00 57.45 54.19 1k2t n PHE 517 Cb 0.50 -0.44 -0.06 0.00 -0.01 0.00 0.00 39.48 39.47 1k2t n PHE 517 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1k2t s ASP 518 N -2.54 6.73 -0.16 4.37 1.01 -1.26 -4.92 116.67 119.90 1k2t s ASP 518 Ca 0.42 0.87 -0.29 0.00 0.71 0.00 0.00 52.55 54.26 1k2t s ASP 518 Cb 0.28 -2.33 -0.02 0.00 1.01 0.00 0.00 42.92 41.86 1k2t s ASP 518 CO -0.09 -0.14 1.32 -0.69 0.21 0.00 0.00 175.17 175.77 1k2t s VAL 519 N 1.26 4.17 0.96 -1.27 1.01 -1.26 0.17 120.40 125.44 1k2t s VAL 519 Ca 0.29 1.41 -0.12 0.00 0.00 0.00 0.00 61.98 63.57 1k2t s VAL 519 Cb -0.16 -3.93 0.17 0.00 0.00 0.00 0.00 36.38 32.46 1k2t s VAL 519 CO 0.12 -0.14 1.09 -0.76 0.00 0.00 0.00 175.10 175.40 1k2t s LEU 520 N 3.63 2.02 0.32 3.92 1.43 -0.34 -4.89 118.68 124.76 1k2t s LEU 520 Ca 0.57 1.58 0.03 0.00 -1.03 0.00 0.00 54.13 55.28 1k2t s LEU 520 Cb -0.23 -3.88 -0.03 0.00 0.03 0.00 0.00 46.19 42.08 1k2t s LEU 520 CO 0.17 -3.06 0.49 -2.16 0.23 0.00 0.00 176.35 172.02 1k2t s PRO 521 N -4.80 3.38 0.17 1.29 0.04 -1.26 -4.80 135.00 129.03 1k2t s PRO 521 Ca 0.65 -0.57 -0.25 0.00 0.04 0.00 0.00 61.00 60.87 1k2t s PRO 521 Cb -0.20 -2.75 -0.08 0.00 0.04 0.00 0.00 34.50 31.51 1k2t s PRO 521 CO 0.59 0.19 0.78 -0.51 0.04 0.00 0.00 177.00 178.08 1k2t s LEU 522 N -4.21 4.57 -0.51 -3.56 1.43 -0.03 -4.84 118.68 111.53 1k2t s LEU 522 Ca 0.39 1.63 0.03 0.00 -1.03 0.00 0.00 54.13 55.15 1k2t s LEU 522 Cb -0.09 -3.34 0.13 0.00 0.03 0.00 0.00 46.19 42.92 1k2t s LEU 522 CO 0.33 0.19 0.26 -0.76 0.23 0.00 0.00 176.35 176.60 1k2t s LEU 523 N -1.24 4.56 -0.12 1.79 1.43 -1.25 -1.54 118.68 122.30 1k2t s LEU 523 Ca 0.37 -2.84 -0.13 0.00 -1.03 0.00 0.00 54.13 50.51 1k2t s LEU 523 Cb -0.22 -1.68 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 1k2t s LEU 523 CO 0.26 -0.28 0.28 -0.76 0.23 0.00 0.00 176.35 176.07 1k2t s LEU 524 N -0.04 4.32 -0.15 1.79 1.43 -0.55 -1.27 118.68 124.21 1k2t s LEU 524 Ca 0.16 0.59 0.02 0.00 -1.03 0.00 0.00 54.13 53.86 1k2t s LEU 524 Cb -0.24 -2.35 0.01 0.00 0.03 0.00 0.00 46.19 43.64 1k2t s LEU 524 CO -0.02 0.21 -0.19 -1.58 0.23 0.00 0.00 176.35 175.00 1k2t s GLN 525 N -0.17 3.09 -0.05 1.70 0.74 0.85 -1.70 119.66 124.12 1k2t s GLN 525 Ca 0.17 -0.81 0.04 0.00 0.05 0.00 0.00 55.36 54.81 1k2t s GLN 525 Cb -0.13 -2.52 -0.00 0.00 1.10 0.00 0.00 33.01 31.45 1k2t s GLN 525 CO 0.06 -0.03 -0.19 0.00 -0.55 0.00 0.00 175.29 174.59 1k2t s ALA 526 N 0.87 1.65 -1.49 1.58 0.00 -1.26 -0.82 121.76 122.29 1k2t s ALA 526 Ca -0.05 -0.75 -0.11 0.00 0.00 0.00 0.00 51.96 51.05 1k2t s ALA 526 Cb -0.15 -0.56 0.07 0.00 0.00 0.00 0.00 23.12 22.48 1k2t s ALA 526 CO -0.02 0.29 0.91 0.09 0.00 0.00 0.00 175.76 177.03 1k2t n ASN 527 N 3.17 -3.94 0.00 0.00 3.02 -1.26 -1.05 115.26 115.21 1k2t n ASN 527 Ca -0.18 -0.80 0.00 0.00 -0.03 0.00 0.00 54.58 53.57 1k2t n ASN 527 Cb 0.53 -3.86 0.00 0.00 -0.61 0.00 0.00 39.78 35.84 1k2t n ASN 527 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k2t n GLY 528 N -1.68 0.94 3.65 7.41 0.00 -0.81 -4.49 105.19 110.20 1k2t n GLY 528 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 1k2t n GLY 528 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k2t s ASN 529 N -2.69 2.60 0.46 1.61 0.01 -0.22 -4.88 114.94 111.84 1k2t s ASN 529 Ca 0.00 1.52 -0.23 0.00 -0.71 0.00 0.00 52.86 53.44 1k2t s ASN 529 Cb 0.00 -2.19 -0.07 0.00 0.41 0.00 0.00 41.25 39.39 1k2t s ASN 529 CO 0.00 -3.19 1.17 -1.81 -1.51 0.00 0.00 177.10 171.76 1k2t s ASP 530 N -3.11 6.18 0.45 -1.22 1.11 -1.26 -4.24 116.67 114.58 1k2t s ASP 530 Ca 0.65 2.32 -0.24 0.00 0.18 0.00 0.00 52.55 55.46 1k2t s ASP 530 Cb -0.20 -2.60 -0.07 0.00 1.07 0.00 0.00 42.92 41.11 1k2t s ASP 530 CO 0.59 -0.91 1.21 -2.16 1.18 0.00 0.00 175.17 175.08 1k2t s PRO 531 N -2.67 3.76 0.15 8.23 0.04 -1.26 -4.73 135.00 138.52 1k2t s PRO 531 Ca 0.63 1.90 0.11 0.00 0.04 0.00 0.00 61.00 63.67 1k2t s PRO 531 Cb -0.29 -2.49 -0.04 0.00 0.04 0.00 0.00 34.50 31.72 1k2t s PRO 531 CO 0.35 -0.58 -0.23 -1.21 0.04 0.00 0.00 177.00 175.37 1k2t s GLU 532 N -2.59 1.58 0.27 4.56 2.02 -0.69 -4.88 118.70 118.98 1k2t s GLU 532 Ca 0.62 -1.37 -0.03 0.00 0.02 0.00 0.00 54.97 54.21 1k2t s GLU 532 Cb -0.32 -1.95 -0.05 0.00 0.10 0.00 0.00 34.13 31.92 1k2t s GLU 532 CO 0.39 0.44 0.51 -0.51 0.02 0.00 0.00 175.26 176.10 1k2t s LEU 533 N -2.37 4.10 -0.09 1.80 1.43 -1.25 -1.48 118.68 120.82 1k2t s LEU 533 Ca 0.18 0.59 -0.21 0.00 -1.03 0.00 0.00 54.13 53.66 1k2t s LEU 533 Cb -0.09 -3.40 0.05 0.00 0.03 0.00 0.00 46.19 42.78 1k2t s LEU 533 CO 0.09 -0.17 0.49 -0.36 0.23 0.00 0.00 176.35 176.63 1k2t s PHE 534 N -2.06 -0.45 -0.27 0.29 0.40 -0.59 -4.93 117.98 110.36 1k2t s PHE 534 Ca 0.42 0.90 -0.08 0.00 -0.60 0.00 0.00 56.93 57.57 1k2t s PHE 534 Cb -0.11 0.22 -0.02 0.00 0.51 0.00 0.00 43.02 43.63 1k2t s PHE 534 CO 0.31 -0.42 0.10 -1.14 0.70 0.00 0.00 175.22 174.77 1k2t s GLN 535 N -0.74 3.54 0.16 0.44 0.74 -1.26 -0.85 119.66 121.69 1k2t s GLN 535 Ca -0.08 -0.56 -0.31 0.00 0.05 0.00 0.00 55.36 54.45 1k2t s GLN 535 Cb -0.03 -3.42 -0.11 0.00 1.10 0.00 0.00 33.01 30.55 1k2t s GLN 535 CO 0.05 -0.27 1.71 0.42 -0.55 0.00 0.00 175.29 176.64 1k2t s ILE 536 N 1.62 2.41 -0.35 -2.34 1.01 -1.26 -4.81 121.20 117.47 1k2t s ILE 536 Ca 0.06 0.17 -0.40 0.00 0.00 0.00 0.00 60.65 60.48 1k2t s ILE 536 Cb -0.16 -3.11 -0.15 0.00 0.01 0.00 0.00 42.46 39.05 1k2t s ILE 536 CO 0.05 0.01 1.91 -2.65 0.00 0.00 0.00 174.94 174.25 1k2t n PRO 537 N 4.62 0.86 -0.41 2.79 -0.02 -1.26 -4.73 135.00 136.86 1k2t n PRO 537 Ca 0.16 0.29 0.35 0.00 -2.02 0.00 0.00 63.50 62.28 1k2t n PRO 537 Cb 0.37 -2.05 0.68 0.00 -0.02 0.00 0.00 33.50 32.48 1k2t n PRO 537 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1k2t h PRO 538 N 8.60 0.11 0.00 0.52 0.11 -1.95 1.79 132.00 141.18 1k2t h PRO 538 Ca -0.36 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 1k2t h PRO 538 Cb 1.34 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.42 1k2t h PRO 538 CO 1.00 0.07 -0.07 1.05 -0.21 0.00 0.00 178.00 179.85 1k2t h GLU 539 N 0.12 0.00 -0.00 1.05 9.09 -2.01 -2.58 114.58 120.24 1k2t h GLU 539 Ca 0.69 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.10 1k2t h GLU 539 Cb 2.38 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.48 1k2t h GLU 539 CO -0.17 0.07 -0.34 1.28 0.05 0.00 0.00 179.01 179.89 1k2t n LEU 540 N -3.28 0.40 -4.29 3.06 4.32 0.61 -4.68 117.00 113.14 1k2t n LEU 540 Ca -0.01 0.11 -0.45 0.00 -0.02 0.00 0.00 56.01 55.64 1k2t n LEU 540 Cb 0.26 -0.30 -0.04 0.00 -1.62 0.00 0.00 43.42 41.72 1k2t n LEU 540 CO 0.27 0.10 0.28 -0.69 -1.22 0.00 0.00 177.39 176.13 1k2t s VAL 541 N -2.94 5.21 -0.08 4.08 1.01 -0.97 -4.75 120.40 121.96 1k2t s VAL 541 Ca 0.14 -2.22 -0.30 0.00 0.00 0.00 0.00 61.98 59.59 1k2t s VAL 541 Cb 0.18 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 1k2t s VAL 541 CO 0.63 -0.95 1.32 -0.22 0.00 0.00 0.00 175.10 175.88 1k2t s LEU 542 N 0.59 4.26 0.11 3.92 2.96 -1.26 -5.01 118.68 124.26 1k2t s LEU 542 Ca 0.13 1.89 0.09 0.00 -0.22 0.00 0.00 54.13 56.02 1k2t s LEU 542 Cb -0.17 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 1k2t s LEU 542 CO -0.05 -0.71 -0.21 -1.61 -1.32 0.00 0.00 176.35 172.45 1k2t s GLU 543 N 2.88 1.18 -0.14 1.98 2.02 -1.26 -1.49 118.70 123.87 1k2t s GLU 543 Ca 0.59 -1.22 0.02 0.00 0.02 0.00 0.00 54.97 54.38 1k2t s GLU 543 Cb -0.26 -1.45 0.01 0.00 0.10 0.00 0.00 34.13 32.53 1k2t s GLU 543 CO 0.21 0.33 -0.20 0.08 0.02 0.00 0.00 175.26 175.70 1k2t s VAL 544 N -1.27 1.96 0.21 2.63 1.01 0.14 -4.92 120.40 120.16 1k2t s VAL 544 Ca 0.09 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 60.86 1k2t s VAL 544 Cb -0.09 -1.75 -0.08 0.00 0.00 0.00 0.00 36.38 34.46 1k2t s VAL 544 CO 0.05 0.53 1.06 -2.16 0.00 0.00 0.00 175.10 174.57 1k2t s PRO 545 N 0.92 4.67 -0.32 2.72 0.04 -1.26 -1.56 135.00 140.22 1k2t s PRO 545 Ca -0.05 1.67 -0.15 0.00 0.04 0.00 0.00 61.00 62.51 1k2t s PRO 545 Cb -0.15 -3.26 -0.02 0.00 0.04 0.00 0.00 34.50 31.11 1k2t s PRO 545 CO -0.04 0.21 0.38 0.42 0.04 0.00 0.00 177.00 178.02 1k2t s ILE 546 N -0.66 5.15 0.10 0.56 -1.09 -0.06 -4.79 121.20 120.42 1k2t s ILE 546 Ca 0.46 0.28 0.06 0.00 -2.23 0.00 0.00 60.65 59.22 1k2t s ILE 546 Cb -0.29 -3.79 -0.03 0.00 -1.58 0.00 0.00 42.46 36.77 1k2t s ILE 546 CO 0.36 -0.01 -0.15 0.00 -1.23 0.00 0.00 174.94 173.91 1k2t s ARG 547 N 2.08 0.96 0.05 2.79 3.03 -1.26 -4.33 118.95 122.28 1k2t s ARG 547 Ca 0.14 -1.13 -0.09 0.00 2.03 0.00 0.00 55.73 56.68 1k2t s ARG 547 Cb -0.16 -0.92 -0.05 0.00 -1.03 0.00 0.00 34.95 32.78 1k2t s ARG 547 CO 0.11 0.19 0.36 -1.58 -1.13 0.00 0.00 175.30 173.25 1k2t s HIS 548 N -1.74 3.59 -2.00 5.89 2.46 -1.26 -4.27 115.29 117.96 1k2t s HIS 548 Ca 0.05 0.72 0.19 0.00 0.47 0.00 0.00 55.06 56.49 1k2t s HIS 548 Cb -0.07 -2.11 1.14 0.00 -0.13 0.00 0.00 32.58 31.41 1k2t s HIS 548 CO 0.03 0.55 1.55 -2.30 -2.47 0.00 0.00 174.74 172.10 1k2t n PRO 549 N 0.99 0.68 0.00 2.88 -0.02 -1.26 -3.74 135.00 134.53 1k2t n PRO 549 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 1k2t n PRO 549 Cb 0.52 -1.44 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 1k2t n PRO 549 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1k2t n LYS 550 N -0.94 0.71 -3.79 -0.52 5.02 -1.26 -5.03 118.16 112.35 1k2t n LYS 550 Ca 0.14 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.08 1k2t n LYS 550 Cb 0.07 -0.06 -0.11 0.00 -0.02 0.00 0.00 35.03 34.90 1k2t n LYS 550 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1k2t s PHE 551 N 0.00 3.52 -0.75 2.13 2.99 -1.25 -4.92 117.98 119.70 1k2t s PHE 551 Ca 0.00 -2.62 0.16 0.00 0.00 0.00 0.00 56.93 54.48 1k2t s PHE 551 Cb 0.00 -3.17 0.72 0.00 0.00 0.00 0.00 43.02 40.57 1k2t s PHE 551 CO 0.00 -0.91 1.51 -0.25 -0.00 0.00 0.00 175.22 175.57 1k2t n ASP 552 N 4.11 0.28 0.16 1.36 8.00 -1.26 -1.35 116.55 127.85 1k2t n ASP 552 Ca 0.02 0.58 0.12 0.00 0.71 0.00 0.00 54.79 56.22 1k2t n ASP 552 Cb 0.40 -0.64 0.16 0.00 -0.02 0.00 0.00 41.12 41.02 1k2t n ASP 552 CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 1k2t h TRP 553 N 0.00 0.00 -0.90 1.24 5.08 -1.95 -3.32 115.95 116.10 1k2t h TRP 553 Ca 0.00 0.00 0.10 0.00 1.08 0.00 0.00 58.89 60.07 1k2t h TRP 553 Cb 0.24 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 26.33 1k2t h TRP 553 CO 0.00 0.00 0.58 0.35 -1.28 0.00 0.00 178.44 178.09 1k2t h PHE 554 N 0.00 0.96 -0.11 0.12 3.57 -1.60 0.97 116.94 120.85 1k2t h PHE 554 Ca 0.00 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.56 1k2t h PHE 554 Cb 0.94 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.36 1k2t h PHE 554 CO 0.00 0.43 0.19 0.87 -2.23 0.00 0.00 178.31 177.57 1k2t h LYS 555 N 0.88 0.00 0.00 1.11 1.57 -1.75 -0.48 116.57 117.90 1k2t h LYS 555 Ca 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 1k2t h LYS 555 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1k2t h LYS 555 CO -0.18 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.45 1k2t n ASP 556 N -3.47 0.00 0.09 0.86 8.00 0.33 -2.74 116.55 119.62 1k2t n ASP 556 Ca -0.00 0.29 0.12 0.00 0.71 0.00 0.00 54.79 55.90 1k2t n ASP 556 Cb 0.28 -0.42 0.45 0.00 -0.02 0.00 0.00 41.12 41.41 1k2t n ASP 556 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1k2t n LEU 557 N -1.42 0.54 -3.39 0.64 4.32 -0.19 -4.91 117.00 112.60 1k2t n LEU 557 Ca 0.09 0.60 -0.19 0.00 -0.02 0.00 0.00 56.01 56.48 1k2t n LEU 557 Cb 0.27 -0.49 0.08 0.00 -1.62 0.00 0.00 43.42 41.66 1k2t n LEU 557 CO 0.23 -0.36 0.17 0.61 -1.22 0.00 0.00 177.39 176.81 1k2t n GLY 558 N 0.47 -0.40 3.74 -0.72 0.00 -1.11 -5.02 105.19 102.16 1k2t n GLY 558 Ca 0.04 0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1k2t n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k2t s LEU 559 N -6.57 3.65 0.18 0.99 1.43 -1.26 -5.02 118.68 112.07 1k2t s LEU 559 Ca 0.26 -0.11 -0.23 0.00 -1.03 0.00 0.00 54.13 53.02 1k2t s LEU 559 Cb -0.11 -2.34 0.06 0.00 0.03 0.00 0.00 46.19 43.83 1k2t s LEU 559 CO 0.70 0.16 0.69 -1.59 0.23 0.00 0.00 176.35 176.54 1k2t s LYS 560 N -2.48 1.39 0.12 1.70 -2.85 -1.26 -0.88 119.74 115.48 1k2t s LYS 560 Ca 0.28 -0.63 -0.15 0.00 -1.00 0.00 0.00 55.97 54.47 1k2t s LYS 560 Cb -0.12 0.56 0.03 0.00 -2.06 0.00 0.00 37.83 36.24 1k2t s LYS 560 CO 0.21 -0.62 0.37 -0.46 0.10 0.00 0.00 175.35 174.95 1k2t s TRP 561 N -3.70 -0.15 0.41 1.78 -0.11 -0.60 -4.94 118.94 111.62 1k2t s TRP 561 Ca 0.05 -0.17 -0.15 0.00 1.22 0.00 0.00 56.10 57.06 1k2t s TRP 561 Cb -0.03 0.21 -0.08 0.00 -1.50 0.00 0.00 33.47 32.07 1k2t s TRP 561 CO -0.05 -0.67 0.84 1.52 -4.62 0.00 0.00 176.95 173.96 1k2t s TYR 562 N -3.74 3.41 -0.64 5.86 -0.85 -1.26 0.25 117.35 120.37 1k2t s TYR 562 Ca 0.03 1.29 0.24 0.00 -0.52 0.00 0.00 57.07 58.11 1k2t s TYR 562 Cb 0.02 -2.62 0.32 0.00 0.38 0.00 0.00 41.96 40.07 1k2t s TYR 562 CO -0.11 -0.10 1.30 0.41 -1.52 0.00 0.00 175.55 175.52 1k2t n GLY 563 N -0.96 -1.40 3.30 5.49 0.00 -0.56 -4.82 105.19 106.25 1k2t n GLY 563 Ca 0.04 -0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 1k2t n GLY 563 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1k2t s LEU 564 N -4.19 4.79 -0.31 0.99 2.96 -1.26 -4.50 118.68 117.16 1k2t s LEU 564 Ca 0.06 -1.25 -0.22 0.00 -0.22 0.00 0.00 54.13 52.50 1k2t s LEU 564 Cb 0.13 -1.97 -0.00 0.00 0.50 0.00 0.00 46.19 44.86 1k2t s LEU 564 CO 0.73 -0.43 0.73 -2.16 -1.32 0.00 0.00 176.35 173.90 1k2t s PRO 565 N 1.46 3.93 -0.26 0.98 0.04 -1.26 -4.70 135.00 135.19 1k2t s PRO 565 Ca 0.01 0.47 -0.02 0.00 0.04 0.00 0.00 61.00 61.50 1k2t s PRO 565 Cb -0.21 -3.73 0.08 0.00 0.04 0.00 0.00 34.50 30.68 1k2t s PRO 565 CO 0.04 -0.65 0.07 0.00 0.04 0.00 0.00 177.00 176.49 1k2t s ALA 566 N 2.84 1.25 0.02 8.56 0.00 -1.26 -3.10 121.76 130.07 1k2t s ALA 566 Ca 0.30 -1.19 -0.30 0.00 0.00 0.00 0.00 51.96 50.76 1k2t s ALA 566 Cb -0.14 -1.41 -0.05 0.00 0.00 0.00 0.00 23.12 21.52 1k2t s ALA 566 CO 0.12 -1.44 1.23 0.08 0.00 0.00 0.00 175.76 175.76 1k2t s VAL 567 N 1.75 4.04 0.00 0.00 1.01 -0.03 -1.31 120.40 125.86 1k2t s VAL 567 Ca 0.04 1.43 0.00 0.00 0.00 0.00 0.00 61.98 63.45 1k2t s VAL 567 Cb -0.17 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.29 1k2t s VAL 567 CO -0.18 0.06 0.59 -1.54 0.00 0.00 0.00 175.10 174.03 1k2t n SER 568 N 4.56 0.77 -0.64 3.32 3.41 -0.18 -0.98 113.62 123.89 1k2t n SER 568 Ca 0.10 -1.33 0.06 0.00 -0.26 0.00 0.00 58.87 57.44 1k2t n SER 568 Cb 0.46 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.55 1k2t n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1k2t n ASN 569 N -0.17 2.80 -4.96 4.04 6.94 -1.15 -4.37 115.26 118.39 1k2t n ASN 569 Ca 0.00 -1.91 -0.20 0.00 -0.02 0.00 0.00 54.58 52.45 1k2t n ASN 569 Cb 0.32 -0.20 0.04 0.00 -2.36 0.00 0.00 39.78 37.58 1k2t n ASN 569 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1k2t s MET 570 N -1.00 2.53 -0.12 -3.83 -1.94 -1.26 -4.41 119.30 109.28 1k2t s MET 570 Ca 0.23 -1.05 0.02 0.00 -1.71 0.00 0.00 55.69 53.17 1k2t s MET 570 Cb 0.12 -2.58 -0.01 0.00 2.01 0.00 0.00 34.83 34.37 1k2t s MET 570 CO 0.16 -0.65 -0.18 -1.17 -0.01 0.00 0.00 175.02 173.17 1k2t s LEU 571 N -4.65 2.46 -0.26 -0.03 2.96 0.21 -4.44 118.68 114.93 1k2t s LEU 571 Ca 0.58 -0.42 -0.12 0.00 -0.22 0.00 0.00 54.13 53.95 1k2t s LEU 571 Cb -0.09 -1.53 -0.05 0.00 0.50 0.00 0.00 46.19 45.02 1k2t s LEU 571 CO 0.37 0.17 0.23 -0.22 -1.32 0.00 0.00 176.35 175.58 1k2t s LEU 572 N 0.33 4.06 -0.19 -0.68 2.96 -0.63 -0.25 118.68 124.27 1k2t s LEU 572 Ca -0.14 0.12 -0.03 0.00 -0.22 0.00 0.00 54.13 53.86 1k2t s LEU 572 Cb -0.17 -2.21 -0.01 0.00 0.50 0.00 0.00 46.19 44.31 1k2t s LEU 572 CO 0.07 -0.05 -0.06 -0.70 -1.32 0.00 0.00 176.35 174.30 1k2t s GLU 573 N 1.59 3.42 -0.06 1.98 2.12 -0.48 -0.29 118.70 126.99 1k2t s GLU 573 Ca 0.10 -0.62 0.01 0.00 0.36 0.00 0.00 54.97 54.81 1k2t s GLU 573 Cb -0.15 -2.93 0.02 0.00 0.26 0.00 0.00 34.13 31.33 1k2t s GLU 573 CO 0.09 -0.06 -0.06 0.42 -0.54 0.00 0.00 175.26 175.11 1k2t s ILE 574 N 1.12 0.67 -1.64 -3.70 1.01 -0.34 -2.14 121.20 116.17 1k2t s ILE 574 Ca 0.01 -0.17 -0.18 0.00 0.00 0.00 0.00 60.65 60.31 1k2t s ILE 574 Cb -0.15 -0.68 0.15 0.00 0.01 0.00 0.00 42.46 41.79 1k2t s ILE 574 CO -0.01 0.26 0.76 0.61 0.00 0.00 0.00 174.94 176.56 1k2t n GLY 575 N 4.19 -0.45 2.78 6.18 0.00 -1.26 -0.07 105.19 116.56 1k2t n GLY 575 Ca -0.22 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1k2t n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k2t n GLY 576 N -1.35 2.93 3.76 -0.02 0.00 -1.26 -3.57 105.19 105.68 1k2t n GLY 576 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1k2t n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k2t s LEU 577 N 0.00 4.52 -0.14 0.99 1.43 0.90 -5.01 118.68 121.36 1k2t s LEU 577 Ca 0.00 1.89 0.00 0.00 -1.03 0.00 0.00 54.13 54.99 1k2t s LEU 577 Cb 0.00 -3.77 -0.01 0.00 0.03 0.00 0.00 46.19 42.44 1k2t s LEU 577 CO 0.00 0.06 -0.14 -1.61 0.23 0.00 0.00 176.35 174.89 1k2t s GLU 578 N -1.56 3.29 -0.45 1.70 2.02 -1.26 -1.20 118.70 121.24 1k2t s GLU 578 Ca 0.45 -0.72 -0.00 0.00 0.02 0.00 0.00 54.97 54.71 1k2t s GLU 578 Cb -0.23 -2.63 0.12 0.00 0.10 0.00 0.00 34.13 31.50 1k2t s GLU 578 CO 0.28 0.10 0.22 -0.06 0.02 0.00 0.00 175.26 175.82 1k2t s PHE 579 N 0.62 3.54 -0.76 1.61 0.40 0.61 0.15 117.98 124.15 1k2t s PHE 579 Ca -0.08 -2.75 0.17 0.00 -0.60 0.00 0.00 56.93 53.67 1k2t s PHE 579 Cb -0.16 -3.08 0.73 0.00 0.51 0.00 0.00 43.02 41.02 1k2t s PHE 579 CO 0.03 -0.91 1.52 -1.13 0.70 0.00 0.00 175.22 175.44 1k2t n SER 580 N 4.06 0.28 -3.81 1.36 3.41 -1.26 -1.61 113.62 116.04 1k2t n SER 580 Ca 0.02 0.58 -0.30 0.00 -0.26 0.00 0.00 58.87 58.91 1k2t n SER 580 Cb 0.39 -0.63 -0.15 0.00 -0.26 0.00 0.00 64.21 63.56 1k2t n SER 580 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k2t s ALA 581 N -3.15 1.85 -0.39 7.33 0.00 -1.21 -4.64 121.76 121.55 1k2t s ALA 581 Ca 0.05 -1.79 0.11 0.00 0.00 0.00 0.00 51.96 50.33 1k2t s ALA 581 Cb 0.08 -1.66 0.36 0.00 0.00 0.00 0.00 23.12 21.90 1k2t s ALA 581 CO 0.28 -1.61 0.94 0.00 0.00 0.00 0.00 175.76 175.38 1k2t n PRO 583 N 0.17 1.30 -4.11 0.00 -0.04 -1.15 -4.59 135.00 126.58 1k2t n PRO 583 Ca 0.14 0.47 -0.15 0.00 -0.04 0.00 0.00 63.50 63.92 1k2t n PRO 583 Cb 0.71 -2.08 -0.12 0.00 -0.04 0.00 0.00 33.50 31.97 1k2t n PRO 583 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1k2t s PHE 584 N 0.29 0.75 0.04 0.54 -0.12 -0.16 -0.86 117.98 118.46 1k2t s PHE 584 Ca 0.79 -0.42 -0.06 0.00 -0.05 0.00 0.00 56.93 57.19 1k2t s PHE 584 Cb -0.88 -0.45 -0.01 0.00 -0.63 0.00 0.00 43.02 41.06 1k2t s PHE 584 CO 0.48 -0.05 0.11 -1.54 -0.05 0.00 0.00 175.22 174.17 1k2t s SER 585 N -1.34 0.15 0.00 1.98 1.04 0.15 -0.85 113.70 114.82 1k2t s SER 585 Ca -0.06 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.87 1k2t s SER 585 Cb -0.09 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.27 1k2t s SER 585 CO 0.01 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.32 1k2t n GLY 586 N 0.77 5.01 3.07 7.32 0.00 -1.18 -0.82 105.19 119.36 1k2t n GLY 586 Ca -0.19 -0.72 -0.08 0.00 0.00 0.00 0.00 46.02 45.03 1k2t n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1k2t s TRP 587 N 3.77 0.37 0.46 1.61 -2.14 -1.26 -4.40 118.94 117.36 1k2t s TRP 587 Ca 0.00 -0.79 -0.24 0.00 2.66 0.00 0.00 56.10 57.73 1k2t s TRP 587 Cb 0.00 -0.28 -0.07 0.00 -3.10 0.00 0.00 33.47 30.02 1k2t s TRP 587 CO 0.00 -0.33 1.26 0.71 -2.66 0.00 0.00 176.95 175.94 1k2t s TYR 588 N -2.95 2.70 -0.17 1.66 1.51 -1.26 -4.89 117.35 113.95 1k2t s TYR 588 Ca -0.02 1.45 -0.09 0.00 -1.01 0.00 0.00 57.07 57.41 1k2t s TYR 588 Cb 0.01 -3.59 -0.05 0.00 -0.11 0.00 0.00 41.96 38.23 1k2t s TYR 588 CO -0.06 -2.06 0.12 1.41 -1.11 0.00 0.00 175.55 173.85 1k2t s MET 589 N -2.60 3.91 0.20 -0.62 -2.45 -1.26 -1.13 119.30 115.35 1k2t s MET 589 Ca 0.63 -0.21 -0.23 0.00 -1.25 0.00 0.00 55.69 54.64 1k2t s MET 589 Cb -0.35 -3.31 0.11 0.00 1.25 0.00 0.00 34.83 32.53 1k2t s MET 589 CO 0.43 0.45 1.56 0.78 1.05 0.00 0.00 175.02 179.28 1k2t h GLY 590 N 6.13 -0.28 -0.04 2.11 0.00 0.69 -1.55 103.07 110.13 1k2t h GLY 590 Ca -0.45 0.59 0.29 0.00 0.00 0.00 0.00 47.33 47.76 1k2t h GLY 590 CO 0.70 -0.14 0.72 -0.91 0.00 0.00 0.00 176.54 176.91 1k2t h THR 591 N -0.07 0.50 -0.80 4.70 1.35 -1.94 -1.60 112.91 115.05 1k2t h THR 591 Ca 0.25 -0.02 0.12 0.00 -0.55 0.00 0.00 66.41 66.21 1k2t h THR 591 Cb 0.55 0.44 -0.08 0.00 -1.73 0.00 0.00 68.15 67.32 1k2t h THR 591 CO -0.88 0.01 0.41 -0.33 -0.25 0.00 0.00 175.52 174.49 1k2t h GLU 592 N 0.05 0.63 0.00 4.72 5.08 -1.68 0.83 114.58 124.21 1k2t h GLU 592 Ca 0.50 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.79 1k2t h GLU 592 Cb 1.88 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.98 1k2t h GLU 592 CO -0.04 0.42 -0.45 0.82 -1.00 0.00 0.00 179.01 178.76 1k2t h ILE 593 N 0.65 0.20 -1.01 3.13 2.04 -1.47 -1.87 117.51 119.17 1k2t h ILE 593 Ca 0.41 -1.21 0.12 0.00 1.00 0.00 0.00 64.86 65.18 1k2t h ILE 593 Cb 0.50 0.44 -0.08 0.00 -0.74 0.00 0.00 36.82 36.94 1k2t h ILE 593 CO -0.31 0.07 0.64 1.23 0.00 0.00 0.00 178.15 179.77 1k2t h GLY 594 N -1.00 1.64 0.00 5.37 0.00 -1.41 0.77 103.07 108.43 1k2t h GLY 594 Ca -0.04 -0.43 -0.30 0.00 0.00 0.00 0.00 47.33 46.55 1k2t h GLY 594 CO -0.03 0.18 -1.83 -0.62 0.00 0.00 0.00 176.54 174.24 1k2t n VAL 595 N -4.61 1.52 -0.05 4.60 0.31 0.25 -3.81 118.33 116.53 1k2t n VAL 595 Ca 0.19 -0.17 -0.02 0.00 -0.01 0.00 0.00 64.34 64.33 1k2t n VAL 595 Cb 0.34 -2.03 -0.01 0.00 -0.91 0.00 0.00 33.84 31.23 1k2t n VAL 595 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1k2t h ARG 596 N -1.00 0.00 -0.48 5.55 2.47 -1.44 -2.60 114.38 116.88 1k2t h ARG 596 Ca -0.46 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.23 1k2t h ARG 596 Cb 1.36 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.66 1k2t h ARG 596 CO -0.28 0.10 0.18 -0.44 0.56 0.00 0.00 179.97 180.09 1k2t h ASP 597 N -1.00 0.68 0.17 7.04 3.32 -1.10 -2.15 116.42 123.38 1k2t h ASP 597 Ca -0.00 -0.18 -0.26 0.00 0.02 0.00 0.00 57.03 56.61 1k2t h ASP 597 Cb 0.11 -0.18 0.02 0.00 0.22 0.00 0.00 39.33 39.50 1k2t h ASP 597 CO -0.00 0.67 -1.22 1.88 -1.72 0.00 0.00 179.24 178.85 1k2t h TYR 598 N 0.64 0.66 0.00 4.55 0.99 -1.05 -2.35 116.97 120.41 1k2t h TYR 598 Ca 0.16 -0.48 0.00 0.00 2.00 0.00 0.00 58.73 60.41 1k2t h TYR 598 Cb 0.22 -0.03 0.00 0.00 1.00 0.00 0.00 36.73 37.92 1k2t h TYR 598 CO 0.01 1.47 -1.61 0.00 -0.00 0.00 0.00 178.16 178.03 1k2t n ASP 600 N -1.96 2.54 -0.12 0.00 9.92 -0.81 -4.56 116.55 121.56 1k2t n ASP 600 Ca -0.01 1.14 -0.04 0.00 -0.53 0.00 0.00 54.79 55.34 1k2t n ASP 600 Cb 0.47 -1.39 0.03 0.00 -0.64 0.00 0.00 41.12 39.59 1k2t n ASP 600 CO 0.00 0.00 0.00 -1.13 0.13 0.00 0.00 177.20 176.20 1k2t h ASN 601 N 4.20 -0.07 0.05 -2.24 -1.24 -1.93 -1.09 115.58 113.26 1k2t h ASN 601 Ca -0.45 0.08 0.00 0.00 0.71 0.00 0.00 56.30 56.64 1k2t h ASN 601 Cb 1.29 0.13 0.00 0.00 0.73 0.00 0.00 38.32 40.46 1k2t h ASN 601 CO 0.76 -0.00 0.00 -1.20 -1.29 0.00 0.00 177.43 175.69 1k2t n SER 602 N -5.15 0.00 0.00 1.15 7.64 -1.26 -4.37 113.62 111.63 1k2t n SER 602 Ca 0.03 -0.60 0.00 0.00 1.01 0.00 0.00 58.87 59.31 1k2t n SER 602 Cb 0.20 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 1k2t n SER 602 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1k2t n ARG 603 N -1.04 0.00 0.14 1.43 5.12 -0.44 -4.36 116.66 117.52 1k2t n ARG 603 Ca 0.16 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 56.20 1k2t n ARG 603 Cb 0.09 0.00 0.49 0.00 -1.16 0.00 0.00 32.46 31.88 1k2t n ARG 603 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1k2t h TYR 604 N 0.00 0.00 -6.62 -1.55 -1.99 -1.56 -3.42 116.97 101.84 1k2t h TYR 604 Ca 0.00 0.00 -0.37 0.00 2.00 0.00 0.00 58.73 60.36 1k2t h TYR 604 Cb 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.72 1k2t h TYR 604 CO 0.00 0.00 -0.74 -1.71 -0.00 0.00 0.00 178.16 175.71 1k2t n ASN 605 N -2.34 -3.06 -0.76 3.88 5.15 -0.86 -4.87 115.26 112.40 1k2t n ASN 605 Ca 0.03 -0.78 0.13 0.00 -0.60 0.00 0.00 54.58 53.36 1k2t n ASN 605 Cb 0.28 -1.08 0.25 0.00 -0.53 0.00 0.00 39.78 38.69 1k2t n ASN 605 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1k2t n ILE 606 N -2.77 0.00 -0.20 -1.44 -5.35 -0.22 -4.55 119.36 104.83 1k2t n ILE 606 Ca -0.16 -0.40 0.01 0.00 -0.27 0.00 0.00 62.75 61.93 1k2t n ILE 606 Cb 0.44 1.12 0.11 0.00 -1.74 0.00 0.00 39.64 39.56 1k2t n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 1k2t h LEU 607 N 3.74 -0.00 -0.08 7.28 3.38 -1.86 -2.58 115.31 125.18 1k2t h LEU 607 Ca 0.00 0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.10 1k2t h LEU 607 Cb 0.81 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.67 1k2t h LEU 607 CO 0.00 0.01 -0.39 -0.33 0.09 0.00 0.00 178.44 177.81 1k2t h GLU 608 N 0.25 -0.42 -0.08 1.13 4.39 -1.99 -0.06 114.58 117.80 1k2t h GLU 608 Ca 0.31 0.03 0.03 0.00 0.34 0.00 0.00 59.36 60.07 1k2t h GLU 608 Cb 0.46 0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 29.15 1k2t h GLU 608 CO -0.40 -0.28 -0.48 0.93 -1.16 0.00 0.00 179.01 177.61 1k2t h GLU 609 N -0.44 -0.56 -0.93 2.33 5.08 -1.85 0.49 114.58 118.71 1k2t h GLU 609 Ca 0.02 0.04 0.17 0.00 -1.00 0.00 0.00 59.36 58.59 1k2t h GLU 609 Cb 0.50 0.13 -0.08 0.00 0.50 0.00 0.00 28.75 29.80 1k2t h GLU 609 CO -0.31 -0.37 0.59 0.28 -1.00 0.00 0.00 179.01 178.21 1k2t h VAL 610 N -0.58 0.77 -0.19 3.13 2.07 -1.32 0.36 116.25 120.49 1k2t h VAL 610 Ca 0.05 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 1k2t h VAL 610 Cb 0.67 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1k2t h VAL 610 CO -0.39 0.12 0.03 0.00 0.02 0.00 0.00 177.57 177.34 1k2t h ALA 611 N 1.61 0.25 0.32 1.67 0.00 0.20 -2.05 119.26 121.27 1k2t h ALA 611 Ca 0.49 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1k2t h ALA 611 Cb 0.86 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1k2t h ALA 611 CO -0.24 -0.08 -0.41 0.87 0.00 0.00 0.00 179.25 179.39 1k2t h LYS 612 N 0.10 -0.75 0.00 0.00 1.57 0.10 -1.42 116.57 116.17 1k2t h LYS 612 Ca 0.06 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1k2t h LYS 612 Cb 0.32 0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1k2t h LYS 612 CO 0.00 -0.50 0.00 1.63 -0.57 0.00 0.00 179.45 180.01 1k2t n LYS 613 N -5.49 0.11 0.00 3.15 5.02 -0.21 0.10 118.16 120.84 1k2t n LYS 613 Ca -0.10 0.60 0.12 0.00 -2.02 0.00 0.00 58.31 56.92 1k2t n LYS 613 Cb 0.39 -1.86 0.22 0.00 -0.02 0.00 0.00 35.03 33.77 1k2t n LYS 613 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1k2t n MET 614 N -2.09 0.16 -3.19 1.97 2.81 -0.57 -5.00 117.12 111.22 1k2t n MET 614 Ca -0.01 -0.10 -0.22 0.00 -1.81 0.00 0.00 57.70 55.56 1k2t n MET 614 Cb 0.03 -1.50 0.02 0.00 -0.71 0.00 0.00 33.22 31.06 1k2t n MET 614 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1k2t n ASP 615 N -1.33 -6.75 -3.87 7.83 2.03 0.11 -5.03 116.55 109.54 1k2t n ASP 615 Ca 0.07 0.14 -0.11 0.00 0.52 0.00 0.00 54.79 55.41 1k2t n ASP 615 Cb 0.34 -3.61 -0.09 0.00 -0.72 0.00 0.00 41.12 37.04 1k2t n ASP 615 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 1k2t s LEU 616 N -2.71 1.52 -0.34 -2.67 0.05 -1.25 -5.09 118.68 108.19 1k2t s LEU 616 Ca 0.29 -0.31 -0.28 0.00 0.05 0.00 0.00 54.13 53.89 1k2t s LEU 616 Cb -0.05 0.76 -0.04 0.00 -2.05 0.00 0.00 46.19 44.81 1k2t s LEU 616 CO 0.82 -0.45 2.08 -0.62 -0.55 0.00 0.00 176.35 177.63 1k2t s ASP 617 N -1.73 5.39 -0.26 1.48 2.15 -1.26 -4.81 116.67 117.63 1k2t s ASP 617 Ca -0.10 1.40 0.13 0.00 0.43 0.00 0.00 52.55 54.41 1k2t s ASP 617 Cb -0.04 -2.52 0.78 0.00 -0.30 0.00 0.00 42.92 40.84 1k2t s ASP 617 CO -0.01 -2.09 1.74 0.23 -0.17 0.00 0.00 175.17 174.87 1k2t n MET 618 N 8.74 4.43 0.02 4.34 2.81 -1.26 -4.43 117.12 131.77 1k2t n MET 618 Ca 0.28 -3.13 -0.19 0.00 -1.81 0.00 0.00 57.70 52.85 1k2t n MET 618 Cb 0.48 -2.22 -0.13 0.00 -0.71 0.00 0.00 33.22 30.64 1k2t n MET 618 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1k2t h ARG 619 N 3.45 0.37 -5.77 0.03 3.08 -2.04 -3.45 114.38 110.04 1k2t h ARG 619 Ca 0.07 -0.48 -0.67 0.00 0.07 0.00 0.00 59.98 58.98 1k2t h ARG 619 Cb 2.04 0.15 -0.32 0.00 0.08 0.00 0.00 29.97 31.93 1k2t h ARG 619 CO 0.54 1.16 -0.88 -1.59 -1.07 0.00 0.00 179.97 178.14 1k2t s LYS 620 N -2.88 2.49 0.51 0.04 -2.85 -1.26 -5.01 119.74 110.77 1k2t s LYS 620 Ca -0.13 -0.85 0.20 0.00 -1.00 0.00 0.00 55.97 54.19 1k2t s LYS 620 Cb 0.02 -2.07 1.28 0.00 -2.06 0.00 0.00 37.83 35.01 1k2t s LYS 620 CO 0.83 0.32 2.05 1.79 0.10 0.00 0.00 175.35 180.44 1k2t h THR 621 N 5.21 0.86 0.00 3.79 1.35 -1.92 -1.62 112.91 120.58 1k2t h THR 621 Ca -0.30 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 1k2t h THR 621 Cb 1.19 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1k2t h THR 621 CO 0.47 0.01 0.00 -1.54 -0.25 0.00 0.00 175.52 174.21 1k2t n SER 622 N -4.45 0.00 0.09 5.36 3.41 -1.26 -0.41 113.62 116.36 1k2t n SER 622 Ca 0.05 0.45 0.13 0.00 -0.26 0.00 0.00 58.87 59.24 1k2t n SER 622 Cb 0.37 -0.46 0.36 0.00 -0.26 0.00 0.00 64.21 64.22 1k2t n SER 622 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1k2t n SER 623 N -1.46 0.75 -3.68 4.04 3.41 -0.61 -4.92 113.62 111.15 1k2t n SER 623 Ca 0.01 0.45 -0.25 0.00 -0.26 0.00 0.00 58.87 58.81 1k2t n SER 623 Cb 0.02 -0.54 0.07 0.00 -0.26 0.00 0.00 64.21 63.50 1k2t n SER 623 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1k2t n LEU 624 N -2.19 -3.20 0.16 1.04 4.77 0.45 -4.88 117.00 113.16 1k2t n LEU 624 Ca 0.05 -0.61 0.01 0.00 -0.03 0.00 0.00 56.01 55.43 1k2t n LEU 624 Cb 0.43 -2.91 0.27 0.00 -2.33 0.00 0.00 43.42 38.88 1k2t n LEU 624 CO 0.32 0.60 0.62 4.11 -1.33 0.00 0.00 177.39 181.71 1k2t h TRP 625 N -2.53 0.00 -0.26 -1.77 5.08 -1.84 -0.64 115.95 113.98 1k2t h TRP 625 Ca -0.57 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 59.33 1k2t h TRP 625 Cb 1.37 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.52 1k2t h TRP 625 CO 0.52 0.48 -0.08 0.87 -1.28 0.00 0.00 178.44 178.95 1k2t h LYS 626 N 0.00 0.52 -0.65 0.12 1.57 -1.90 -0.28 116.57 115.95 1k2t h LYS 626 Ca -0.00 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.53 1k2t h LYS 626 Cb 0.87 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.13 1k2t h LYS 626 CO 0.06 0.75 0.27 -0.44 -0.57 0.00 0.00 179.45 179.52 1k2t h ASP 627 N 0.27 0.87 0.31 0.86 5.19 -1.88 0.18 116.42 122.22 1k2t h ASP 627 Ca 0.06 -0.11 -0.02 0.00 -0.62 0.00 0.00 57.03 56.34 1k2t h ASP 627 Cb 0.57 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.86 1k2t h ASP 627 CO 0.03 0.77 -0.15 1.56 -3.12 0.00 0.00 179.24 178.33 1k2t h GLN 628 N 0.93 -0.41 0.86 3.56 4.20 -0.86 -2.62 115.11 120.78 1k2t h GLN 628 Ca 0.22 0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.92 1k2t h GLN 628 Cb 0.17 0.09 0.01 0.00 0.30 0.00 0.00 27.48 28.05 1k2t h GLN 628 CO -0.02 -0.21 -0.44 0.00 -0.67 0.00 0.00 178.83 177.49 1k2t h ALA 629 N 0.15 -1.20 -0.85 3.87 0.00 -0.73 -2.97 119.26 117.54 1k2t h ALA 629 Ca -0.04 -0.26 0.21 0.00 0.00 0.00 0.00 54.91 54.81 1k2t h ALA 629 Cb 0.38 0.49 -0.16 0.00 0.00 0.00 0.00 17.79 18.50 1k2t h ALA 629 CO 0.07 -1.18 -0.08 -0.11 0.00 0.00 0.00 179.25 177.95 1k2t n LEU 630 N -5.61 -0.19 0.42 0.00 7.94 0.60 -1.14 117.00 119.02 1k2t n LEU 630 Ca -0.15 1.44 -0.17 0.00 -1.11 0.00 0.00 56.01 56.02 1k2t n LEU 630 Cb 0.48 -0.49 -0.08 0.00 0.53 0.00 0.00 43.42 43.86 1k2t n LEU 630 CO 0.39 -1.43 0.53 0.58 -1.11 0.00 0.00 177.39 176.35 1k2t h VAL 631 N 0.00 0.00 -0.60 1.96 2.07 -1.31 -2.30 116.25 116.08 1k2t h VAL 631 Ca 0.47 0.00 0.12 0.00 0.82 0.00 0.00 66.70 68.11 1k2t h VAL 631 Cb 0.87 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.52 1k2t h VAL 631 CO -0.83 0.00 -0.18 -0.33 0.02 0.00 0.00 177.57 176.26 1k2t h GLU 632 N -1.09 -0.03 -0.80 1.57 4.39 -1.06 0.13 114.58 117.70 1k2t h GLU 632 Ca -0.11 0.00 0.17 0.00 0.34 0.00 0.00 59.36 59.77 1k2t h GLU 632 Cb 0.85 0.01 -0.11 0.00 -0.10 0.00 0.00 28.75 29.40 1k2t h GLU 632 CO 0.15 -0.02 0.29 0.82 -1.16 0.00 0.00 179.01 179.09 1k2t h ILE 633 N -0.03 0.56 0.00 3.13 2.04 -1.24 0.39 117.51 122.36 1k2t h ILE 633 Ca 0.28 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 66.01 1k2t h ILE 633 Cb 0.46 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1k2t h ILE 633 CO -0.63 0.07 0.00 0.78 0.00 0.00 0.00 178.15 178.37 1k2t h ASN 634 N 0.38 0.00 -0.15 1.72 4.21 -0.22 -2.12 115.58 119.40 1k2t h ASN 634 Ca 0.46 0.00 -0.21 0.00 1.21 0.00 0.00 56.30 57.75 1k2t h ASN 634 Cb 0.78 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.99 1k2t h ASN 634 CO -0.48 0.00 -0.75 0.40 -1.29 0.00 0.00 177.43 175.32 1k2t h ILE 635 N 0.00 1.29 -0.09 2.81 1.08 0.12 -3.06 117.51 119.65 1k2t h ILE 635 Ca 0.00 -1.95 -0.10 0.00 -0.39 0.00 0.00 64.86 62.42 1k2t h ILE 635 Cb 0.65 2.01 -0.01 0.00 -3.07 0.00 0.00 36.82 36.40 1k2t h ILE 635 CO 0.00 0.62 -0.40 0.00 -0.69 0.00 0.00 178.15 177.67 1k2t h ALA 636 N 0.54 1.16 0.50 1.87 0.00 -0.47 -0.50 119.26 122.36 1k2t h ALA 636 Ca -0.05 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1k2t h ALA 636 Cb 1.38 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1k2t h ALA 636 CO 0.15 0.57 -0.24 0.28 0.00 0.00 0.00 179.25 180.01 1k2t h VAL 637 N 0.16 0.11 -0.39 0.00 2.07 -1.45 -1.73 116.25 115.02 1k2t h VAL 637 Ca 0.02 -0.51 0.07 0.00 0.82 0.00 0.00 66.70 67.09 1k2t h VAL 637 Cb 0.79 0.16 -0.06 0.00 -1.52 0.00 0.00 31.29 30.66 1k2t h VAL 637 CO 0.06 0.02 0.03 -0.07 0.02 0.00 0.00 177.57 177.63 1k2t h LEU 638 N -1.14 -0.09 -0.10 2.57 3.38 -1.56 -1.68 115.31 116.68 1k2t h LEU 638 Ca -0.07 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.02 1k2t h LEU 638 Cb 0.55 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.37 1k2t h LEU 638 CO 0.11 -0.01 -0.35 0.22 0.09 0.00 0.00 178.44 178.50 1k2t h TYR 639 N 0.14 -0.98 -0.12 1.13 3.20 -1.12 0.39 116.97 119.61 1k2t h TYR 639 Ca 0.19 0.04 0.04 0.00 3.14 0.00 0.00 58.73 62.14 1k2t h TYR 639 Cb 0.25 0.44 -0.05 0.00 1.54 0.00 0.00 36.73 38.92 1k2t h TYR 639 CO -0.24 -0.43 -0.18 0.77 -1.64 0.00 0.00 178.16 176.45 1k2t h SER 640 N -0.45 -0.56 -0.34 -2.11 0.02 -0.97 0.54 113.55 109.69 1k2t h SER 640 Ca 0.08 0.10 0.04 0.00 -0.84 0.00 0.00 61.79 61.17 1k2t h SER 640 Cb 0.58 0.26 -0.04 0.00 0.14 0.00 0.00 62.40 63.33 1k2t h SER 640 CO -0.35 -0.23 0.11 -0.26 -1.14 0.00 0.00 176.83 174.96 1k2t h PHE 641 N -0.23 0.19 -0.81 3.45 -1.00 -0.87 -1.59 116.94 116.09 1k2t h PHE 641 Ca 0.09 0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.85 1k2t h PHE 641 Cb 0.37 -0.04 -0.04 0.00 3.61 0.00 0.00 35.95 39.86 1k2t h PHE 641 CO -0.29 0.08 0.36 1.96 -1.61 0.00 0.00 178.31 178.81 1k2t h GLN 642 N 0.25 1.19 -0.69 1.51 4.20 -0.59 0.11 115.11 121.09 1k2t h GLN 642 Ca 0.16 -0.19 -0.07 0.00 0.06 0.00 0.00 58.65 58.60 1k2t h GLN 642 Cb 0.14 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.69 1k2t h GLN 642 CO -0.17 0.94 0.14 0.77 -0.67 0.00 0.00 178.83 179.84 1k2t h SER 643 N 1.17 1.07 -0.10 1.46 0.02 -0.43 -1.88 113.55 114.86 1k2t h SER 643 Ca 0.28 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1k2t h SER 643 Cb 0.17 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.42 1k2t h SER 643 CO -0.03 1.04 0.00 0.47 -1.14 0.00 0.00 176.83 177.17 1k2t n ASP 644 N -4.22 1.11 -2.83 3.07 8.00 -0.64 -4.92 116.55 116.13 1k2t n ASP 644 Ca 0.05 -1.59 -0.20 0.00 0.71 0.00 0.00 54.79 53.76 1k2t n ASP 644 Cb 0.28 -0.06 0.04 0.00 -0.02 0.00 0.00 41.12 41.36 1k2t n ASP 644 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1k2t n LYS 645 N -0.06 -5.15 -3.68 -1.24 5.02 -0.71 -4.98 118.16 107.37 1k2t n LYS 645 Ca 0.16 0.78 -0.36 0.00 -2.02 0.00 0.00 58.31 56.86 1k2t n LYS 645 Cb 0.25 -5.43 -0.09 0.00 -0.02 0.00 0.00 35.03 29.73 1k2t n LYS 645 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1k2t s VAL 646 N -3.16 5.33 0.19 -0.18 1.01 0.29 -4.33 120.40 119.56 1k2t s VAL 646 Ca 0.34 0.17 -0.32 0.00 0.00 0.00 0.00 61.98 62.17 1k2t s VAL 646 Cb -0.15 -3.48 -0.15 0.00 0.00 0.00 0.00 36.38 32.60 1k2t s VAL 646 CO 0.43 0.36 1.27 0.41 0.00 0.00 0.00 175.10 177.56 1k2t n THR 647 N 4.22 0.85 -3.56 3.92 -1.04 0.34 -4.27 114.28 114.74 1k2t n THR 647 Ca -0.15 -0.21 -0.14 0.00 -2.04 0.00 0.00 64.05 61.50 1k2t n THR 647 Cb 0.52 -1.08 -0.06 0.00 -1.82 0.00 0.00 70.33 67.89 1k2t n THR 647 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1k2t s ILE 648 N -0.09 0.00 0.05 12.58 2.07 -1.26 -4.51 121.20 130.04 1k2t s ILE 648 Ca 0.72 0.00 0.06 0.00 -1.41 0.00 0.00 60.65 60.02 1k2t s ILE 648 Cb -0.78 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 40.78 1k2t s ILE 648 CO 0.51 0.00 -0.18 0.54 -1.91 0.00 0.00 174.94 173.89 1k2t s VAL 649 N -1.00 1.46 0.37 4.00 0.11 -0.28 -4.98 120.40 120.07 1k2t s VAL 649 Ca -0.06 -1.17 -0.01 0.00 -2.93 0.00 0.00 61.98 57.81 1k2t s VAL 649 Cb -0.01 -1.29 -0.03 0.00 -1.53 0.00 0.00 36.38 33.51 1k2t s VAL 649 CO 0.05 0.09 0.59 1.51 -3.33 0.00 0.00 175.10 174.01 1k2t s ASP 650 N -1.26 6.30 0.51 3.54 -4.77 -1.26 0.13 116.67 119.85 1k2t s ASP 650 Ca 0.05 0.55 0.20 0.00 -3.30 0.00 0.00 52.55 50.05 1k2t s ASP 650 Cb -0.09 -2.08 1.29 0.00 -1.09 0.00 0.00 42.92 40.95 1k2t s ASP 650 CO 0.02 -0.34 2.05 1.12 0.70 0.00 0.00 175.17 178.72 1k2t h HIS 651 N 0.71 0.07 -0.07 2.11 2.07 -1.97 -1.27 115.15 116.81 1k2t h HIS 651 Ca -0.49 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.02 1k2t h HIS 651 Cb 1.21 -0.02 -0.00 0.00 2.57 0.00 0.00 27.41 31.17 1k2t h HIS 651 CO 0.53 0.04 -0.01 0.45 -3.07 0.00 0.00 177.93 175.86 1k2t h HIS 652 N 0.07 0.15 -0.30 6.12 3.86 -1.97 -1.93 115.15 121.15 1k2t h HIS 652 Ca 0.16 -0.03 -0.17 0.00 -1.16 0.00 0.00 60.37 59.17 1k2t h HIS 652 Cb 0.55 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 28.98 1k2t h HIS 652 CO -0.00 0.45 -0.48 0.77 0.86 0.00 0.00 177.93 179.53 1k2t h SER 653 N -0.20 0.94 -0.26 2.45 0.02 -1.88 -2.13 113.55 112.48 1k2t h SER 653 Ca 0.02 -0.52 -0.01 0.00 -0.84 0.00 0.00 61.79 60.44 1k2t h SER 653 Cb 0.40 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1k2t h SER 653 CO 0.01 1.28 0.12 0.00 -1.14 0.00 0.00 176.83 177.10 1k2t h ALA 654 N 0.69 0.34 -0.43 3.77 0.00 -1.29 0.61 119.26 122.95 1k2t h ALA 654 Ca 0.02 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1k2t h ALA 654 Cb 1.08 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1k2t h ALA 654 CO 0.11 -0.10 -0.00 1.79 0.00 0.00 0.00 179.25 181.05 1k2t h THR 655 N 0.29 1.26 -0.64 0.00 1.35 -1.39 -0.30 112.91 113.48 1k2t h THR 655 Ca 0.09 -1.03 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 1k2t h THR 655 Cb 0.12 1.08 -0.03 0.00 -1.73 0.00 0.00 68.15 67.59 1k2t h THR 655 CO -0.01 0.35 0.41 -0.08 -0.25 0.00 0.00 175.52 175.95 1k2t h GLU 656 N 0.60 0.85 -0.63 4.72 4.81 -1.26 -1.74 114.58 121.94 1k2t h GLU 656 Ca 0.12 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 1k2t h GLU 656 Cb 0.49 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 1k2t h GLU 656 CO 0.02 0.58 0.28 0.77 -0.73 0.00 0.00 179.01 179.94 1k2t h SER 657 N 0.87 0.81 -0.15 1.04 0.02 -0.53 -2.15 113.55 113.45 1k2t h SER 657 Ca 0.23 -0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 61.01 1k2t h SER 657 Cb -0.08 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 1k2t h SER 657 CO -0.05 0.70 -0.16 0.15 -1.14 0.00 0.00 176.83 176.33 1k2t h PHE 658 N 0.89 0.60 -0.15 3.45 3.57 -0.34 -0.77 116.94 124.19 1k2t h PHE 658 Ca 0.22 -0.10 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 1k2t h PHE 658 Cb 0.12 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 1k2t h PHE 658 CO 0.01 0.68 0.08 0.82 -2.23 0.00 0.00 178.31 177.67 1k2t h ILE 659 N 0.50 1.10 -0.28 1.41 1.08 -0.70 0.55 117.51 121.16 1k2t h ILE 659 Ca 0.09 -0.27 0.03 0.00 -0.39 0.00 0.00 64.86 64.32 1k2t h ILE 659 Cb 0.56 1.01 -0.03 0.00 -3.07 0.00 0.00 36.82 35.29 1k2t h ILE 659 CO 0.04 0.09 0.08 0.50 -0.69 0.00 0.00 178.15 178.17 1k2t h LYS 660 N 0.14 0.19 -0.48 2.37 3.64 -1.22 0.12 116.57 121.33 1k2t h LYS 660 Ca 0.05 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1k2t h LYS 660 Cb 0.07 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 1k2t h LYS 660 CO -0.01 0.13 0.28 1.25 -2.27 0.00 0.00 179.45 178.83 1k2t h HIS 661 N 0.20 0.53 -0.95 1.91 2.76 -0.78 -0.42 115.15 118.40 1k2t h HIS 661 Ca 0.13 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.35 1k2t h HIS 661 Cb 0.11 -0.17 -0.06 0.00 1.55 0.00 0.00 27.41 28.85 1k2t h HIS 661 CO -0.15 0.30 0.62 1.98 -1.30 0.00 0.00 177.93 179.39 1k2t h MET 662 N 0.57 1.16 -0.34 5.26 4.05 0.89 0.11 114.93 126.62 1k2t h MET 662 Ca 0.19 -0.07 -0.08 0.00 -0.28 0.00 0.00 59.70 59.46 1k2t h MET 662 Cb 0.02 -0.26 -0.02 0.00 -0.80 0.00 0.00 31.60 30.54 1k2t h MET 662 CO -0.09 0.77 -0.14 0.93 0.23 0.00 0.00 176.91 178.61 1k2t h GLU 663 N 1.19 0.60 -0.16 0.39 5.08 0.14 -1.72 114.58 120.11 1k2t h GLU 663 Ca 0.38 -0.19 -0.16 0.00 -1.00 0.00 0.00 59.36 58.39 1k2t h GLU 663 Cb 0.02 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.22 1k2t h GLU 663 CO -0.13 0.72 -0.52 -0.91 -1.00 0.00 0.00 179.01 177.18 1k2t h ASN 664 N 0.55 0.73 -0.14 1.42 2.35 -0.17 -3.14 115.58 117.18 1k2t h ASN 664 Ca 0.10 -0.60 0.00 0.00 -0.55 0.00 0.00 56.30 55.24 1k2t h ASN 664 Cb 0.56 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 1k2t h ASN 664 CO 0.04 1.21 0.09 -0.33 -1.65 0.00 0.00 177.43 176.78 1k2t h GLU 665 N 0.30 0.20 -0.22 0.81 4.39 -0.61 0.24 114.58 119.68 1k2t h GLU 665 Ca -0.02 -0.01 -0.17 0.00 0.34 0.00 0.00 59.36 59.50 1k2t h GLU 665 Cb 1.15 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 1k2t h GLU 665 CO 0.11 0.14 -0.52 1.88 -1.16 0.00 0.00 179.01 179.46 1k2t h TYR 666 N 0.20 0.96 0.00 4.33 -1.99 -1.29 0.14 116.97 119.32 1k2t h TYR 666 Ca 0.05 -0.36 0.00 0.00 2.00 0.00 0.00 58.73 60.42 1k2t h TYR 666 Cb -0.01 -0.17 0.00 0.00 2.00 0.00 0.00 36.73 38.55 1k2t h TYR 666 CO 0.00 1.16 -0.37 2.89 -0.00 0.00 0.00 178.16 181.84 1k2t n ARG 667 N -4.10 0.28 -0.06 4.88 1.85 -0.97 -1.55 116.66 116.98 1k2t n ARG 667 Ca -0.06 0.14 -0.03 0.00 -1.00 0.00 0.00 57.85 56.90 1k2t n ARG 667 Cb 0.61 -1.73 -0.12 0.00 -1.05 0.00 0.00 32.46 30.17 1k2t n ARG 667 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1k2t n ARG 669 N -2.42 2.76 -0.20 0.00 0.63 0.37 -5.01 116.66 112.79 1k2t n ARG 669 Ca -0.18 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.75 1k2t n ARG 669 Cb 0.83 -1.15 0.00 0.00 0.45 0.00 0.00 32.46 32.59 1k2t n ARG 669 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1k2t n GLY 670 N 2.68 0.88 0.00 5.14 0.00 -0.54 -4.61 105.19 108.75 1k2t n GLY 670 Ca -0.10 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1k2t n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k2t n GLY 671 N -2.20 1.31 3.09 -0.02 0.00 -0.94 -1.19 105.19 105.24 1k2t n GLY 671 Ca 0.00 -1.06 0.01 0.00 0.00 0.00 0.00 46.02 44.96 1k2t n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k2t s PRO 673 N 2.77 4.20 -0.17 0.00 0.04 -1.26 -4.62 135.00 135.97 1k2t s PRO 673 Ca 0.15 2.43 -0.11 0.00 0.04 0.00 0.00 61.00 63.51 1k2t s PRO 673 Cb -0.13 -3.05 0.05 0.00 0.04 0.00 0.00 34.50 31.41 1k2t s PRO 673 CO -0.23 -0.48 0.42 0.00 0.04 0.00 0.00 177.00 176.75 1k2t s ALA 674 N -0.32 -1.06 -0.66 8.56 0.00 -0.21 -4.30 121.76 123.77 1k2t s ALA 674 Ca 0.58 1.42 -0.14 0.00 0.00 0.00 0.00 51.96 53.82 1k2t s ALA 674 Cb -0.44 -0.85 0.17 0.00 0.00 0.00 0.00 23.12 21.99 1k2t s ALA 674 CO 0.49 -0.24 0.60 0.34 0.00 0.00 0.00 175.76 176.95 1k2t s ASP 675 N 0.98 6.37 0.26 0.00 -1.08 0.11 -3.45 116.67 119.87 1k2t s ASP 675 Ca -0.06 -2.22 -0.03 0.00 -0.52 0.00 0.00 52.55 49.72 1k2t s ASP 675 Cb -0.06 -2.18 0.55 0.00 -1.46 0.00 0.00 42.92 39.76 1k2t s ASP 675 CO -0.08 -0.71 1.64 -0.25 0.52 0.00 0.00 175.17 176.29 1k2t h TRP 676 N 8.32 0.13 -0.78 -5.34 7.01 -1.93 0.13 115.95 123.50 1k2t h TRP 676 Ca -0.11 0.05 0.13 0.00 2.11 0.00 0.00 58.89 61.07 1k2t h TRP 676 Cb 1.07 0.07 -0.05 0.00 -2.10 0.00 0.00 29.16 28.14 1k2t h TRP 676 CO 0.85 -0.22 0.51 0.28 -2.79 0.00 0.00 178.44 177.08 1k2t h VAL 677 N 0.16 0.85 0.01 2.65 2.07 -1.92 -2.00 116.25 118.06 1k2t h VAL 677 Ca 0.47 -0.19 -0.32 0.00 0.82 0.00 0.00 66.70 67.48 1k2t h VAL 677 Cb 0.88 0.25 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 1k2t h VAL 677 CO -0.66 0.10 -1.93 0.79 0.02 0.00 0.00 177.57 175.89 1k2t n TRP 678 N -4.50 0.72 -0.11 1.57 7.02 -0.17 -4.44 117.44 117.53 1k2t n TRP 678 Ca 0.14 0.25 -0.13 0.00 -1.02 0.00 0.00 57.50 56.74 1k2t n TRP 678 Cb 0.46 -1.13 -0.03 0.00 -2.42 0.00 0.00 31.31 28.18 1k2t n TRP 678 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 1k2t h ILE 679 N 0.00 1.29 -2.61 -0.99 1.08 -0.65 -3.43 117.51 112.21 1k2t h ILE 679 Ca -0.37 -1.51 -0.55 0.00 -0.39 0.00 0.00 64.86 62.04 1k2t h ILE 679 Cb 2.08 1.49 -0.01 0.00 -3.07 0.00 0.00 36.82 37.31 1k2t h ILE 679 CO 0.06 0.49 1.09 -0.69 -0.69 0.00 0.00 178.15 178.42 1k2t s VAL 680 N -4.37 3.57 0.56 1.67 1.01 -0.79 -4.93 120.40 117.13 1k2t s VAL 680 Ca -0.12 0.69 -0.20 0.00 0.00 0.00 0.00 61.98 62.35 1k2t s VAL 680 Cb 0.10 -3.45 -0.06 0.00 0.00 0.00 0.00 36.38 32.97 1k2t s VAL 680 CO 0.86 -0.07 1.02 -2.65 0.00 0.00 0.00 175.10 174.26 1k2t n PRO 681 N 7.17 1.09 0.00 2.72 -0.02 -1.26 -4.86 135.00 139.84 1k2t n PRO 681 Ca 0.17 0.41 0.01 0.00 -2.02 0.00 0.00 63.50 62.08 1k2t n PRO 681 Cb 0.43 -2.19 0.09 0.00 -0.02 0.00 0.00 33.50 31.80 1k2t n PRO 681 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1k2t n PRO 682 N -0.77 0.45 -3.77 0.52 -0.04 -1.26 -4.28 135.00 125.84 1k2t n PRO 682 Ca 0.12 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.45 1k2t n PRO 682 Cb 0.45 -1.10 -0.09 0.00 -0.04 0.00 0.00 33.50 32.72 1k2t n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1k2t s MET 683 N -2.00 0.59 -1.25 0.54 0.23 -1.26 -4.92 119.30 111.24 1k2t s MET 683 Ca 0.04 -0.06 -0.04 0.00 -1.03 0.00 0.00 55.69 54.61 1k2t s MET 683 Cb 0.02 0.27 0.03 0.00 -1.53 0.00 0.00 34.83 33.61 1k2t s MET 683 CO 0.03 -0.15 0.27 0.43 -2.03 0.00 0.00 175.02 173.57 1k2t n SER 684 N 1.66 -4.27 -0.16 -1.18 7.64 -1.26 -4.89 113.62 111.16 1k2t n SER 684 Ca -0.20 -0.10 -0.04 0.00 1.01 0.00 0.00 58.87 59.55 1k2t n SER 684 Cb 0.56 -3.55 -0.04 0.00 -1.01 0.00 0.00 64.21 60.17 1k2t n SER 684 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k2t n GLY 685 N -1.06 -2.41 0.00 0.23 0.00 -1.26 -1.25 105.19 99.45 1k2t n GLY 685 Ca -0.10 0.71 0.05 0.00 0.00 0.00 0.00 46.02 46.68 1k2t n GLY 685 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k2t n SER 686 N -3.82 0.00 -0.69 1.61 3.41 -1.26 -1.85 113.62 111.02 1k2t n SER 686 Ca 0.01 0.38 0.13 0.00 -0.26 0.00 0.00 58.87 59.12 1k2t n SER 686 Cb 0.10 -0.42 0.31 0.00 -0.26 0.00 0.00 64.21 63.93 1k2t n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1k2t n ILE 687 N -1.42 0.00 -3.97 -1.33 -5.35 -0.38 -4.84 119.36 102.07 1k2t n ILE 687 Ca 0.03 -0.36 -0.31 0.00 -0.27 0.00 0.00 62.75 61.84 1k2t n ILE 687 Cb 0.10 0.98 -0.05 0.00 -1.74 0.00 0.00 39.64 38.92 1k2t n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1k2t s THR 688 N -2.03 5.10 0.26 7.28 -4.23 -0.77 -5.03 115.64 116.22 1k2t s THR 688 Ca 0.32 -0.47 -0.05 0.00 -1.18 0.00 0.00 61.69 60.31 1k2t s THR 688 Cb 0.20 -3.46 0.26 0.00 1.34 0.00 0.00 72.50 70.85 1k2t s THR 688 CO 0.33 0.17 1.92 -0.65 -0.54 0.00 0.00 174.62 175.86 1k2t h PRO 689 N 3.30 1.28 -0.07 3.99 0.11 -1.88 -2.95 132.00 135.78 1k2t h PRO 689 Ca -0.46 -0.08 0.02 0.00 0.11 0.00 0.00 66.00 65.59 1k2t h PRO 689 Cb 1.17 -0.29 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 1k2t h PRO 689 CO 0.71 0.85 0.10 -0.39 -0.21 0.00 0.00 178.00 179.06 1k2t h VAL 690 N 1.32 0.36 -0.28 3.15 -1.51 -1.89 -1.53 116.25 115.87 1k2t h VAL 690 Ca 0.38 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.83 1k2t h VAL 690 Cb -0.10 0.91 -0.02 0.00 -2.13 0.00 0.00 31.29 29.96 1k2t h VAL 690 CO -0.10 0.00 0.08 0.15 -1.23 0.00 0.00 177.57 176.48 1k2t h PHE 691 N 0.00 0.40 -0.08 5.19 3.57 -1.71 -2.44 116.94 121.87 1k2t h PHE 691 Ca 0.03 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1k2t h PHE 691 Cb 0.24 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.85 1k2t h PHE 691 CO 0.00 0.34 0.00 0.72 -2.23 0.00 0.00 178.31 177.14 1k2t n HIS 692 N -4.39 0.08 -3.46 0.41 8.25 -0.58 -4.88 115.22 110.65 1k2t n HIS 692 Ca 0.01 -0.04 -0.40 0.00 -0.26 0.00 0.00 57.72 57.03 1k2t n HIS 692 Cb 0.15 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.16 1k2t n HIS 692 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1k2t s GLN 693 N -1.92 3.73 0.46 -0.41 2.00 -0.92 -0.90 119.66 121.70 1k2t s GLN 693 Ca 0.34 -0.34 -0.23 0.00 -2.00 0.00 0.00 55.36 53.13 1k2t s GLN 693 Cb 0.20 -3.74 -0.07 0.00 0.80 0.00 0.00 33.01 30.20 1k2t s GLN 693 CO 0.31 -0.39 1.23 -1.21 -0.50 0.00 0.00 175.29 174.74 1k2t s GLU 694 N 1.92 3.69 0.09 1.67 2.02 -0.97 -4.99 118.70 122.14 1k2t s GLU 694 Ca 0.10 1.95 0.03 0.00 0.02 0.00 0.00 54.97 57.08 1k2t s GLU 694 Cb -0.16 -2.46 -0.04 0.00 0.10 0.00 0.00 34.13 31.57 1k2t s GLU 694 CO 0.11 -0.66 -0.09 -1.64 0.02 0.00 0.00 175.26 173.00 1k2t s MET 695 N -2.62 0.81 -0.14 1.61 -1.94 -1.26 -4.72 119.30 111.04 1k2t s MET 695 Ca 0.63 -1.15 0.02 0.00 -1.71 0.00 0.00 55.69 53.48 1k2t s MET 695 Cb -0.33 -0.45 0.01 0.00 2.01 0.00 0.00 34.83 36.07 1k2t s MET 695 CO 0.40 0.06 -0.21 -0.51 -0.01 0.00 0.00 175.02 174.76 1k2t s LEU 696 N -2.47 2.06 -0.12 -0.03 1.43 -1.26 -4.95 118.68 113.33 1k2t s LEU 696 Ca 0.05 -0.59 -0.04 0.00 -1.03 0.00 0.00 54.13 52.53 1k2t s LEU 696 Cb -0.02 -1.40 -0.03 0.00 0.03 0.00 0.00 46.19 44.76 1k2t s LEU 696 CO -0.01 0.06 0.01 0.21 0.23 0.00 0.00 176.35 176.85 1k2t s ASN 697 N 0.92 5.27 -0.04 2.29 3.04 -1.22 -1.04 114.94 124.15 1k2t s ASN 697 Ca -0.05 0.09 -0.29 0.00 0.04 0.00 0.00 52.86 52.64 1k2t s ASN 697 Cb -0.15 -1.66 0.11 0.00 -1.54 0.00 0.00 41.25 38.01 1k2t s ASN 697 CO -0.04 0.30 0.92 -0.72 -3.04 0.00 0.00 177.10 174.52 1k2t s TYR 698 N -0.38 -0.34 -0.10 0.43 -0.85 -1.26 -4.94 117.35 109.90 1k2t s TYR 698 Ca 0.08 0.29 -0.12 0.00 -0.52 0.00 0.00 57.07 56.79 1k2t s TYR 698 Cb -0.12 0.52 -0.05 0.00 0.38 0.00 0.00 41.96 42.69 1k2t s TYR 698 CO 0.02 -0.50 0.29 1.03 -1.52 0.00 0.00 175.55 174.88 1k2t s ARG 699 N -2.74 3.96 -0.01 -3.49 0.52 -1.26 -4.81 118.95 111.12 1k2t s ARG 699 Ca 0.04 0.14 0.01 0.00 -0.52 0.00 0.00 55.73 55.40 1k2t s ARG 699 Cb -0.01 -3.31 0.00 0.00 0.52 0.00 0.00 34.95 32.16 1k2t s ARG 699 CO -0.07 0.51 -0.05 -0.51 0.02 0.00 0.00 175.30 175.20 1k2t s LEU 700 N -0.36 1.84 0.16 2.53 1.43 -1.26 -2.83 118.68 120.19 1k2t s LEU 700 Ca 0.18 -0.10 0.05 0.00 -1.03 0.00 0.00 54.13 53.24 1k2t s LEU 700 Cb -0.14 -0.30 -0.04 0.00 0.03 0.00 0.00 46.19 45.75 1k2t s LEU 700 CO 0.07 0.04 0.14 0.42 0.23 0.00 0.00 176.35 177.25 1k2t s THR 701 N 0.11 4.52 0.67 5.49 -4.23 -1.26 -4.12 115.64 116.83 1k2t s THR 701 Ca -0.01 -1.06 -0.17 0.00 -1.18 0.00 0.00 61.69 59.27 1k2t s THR 701 Cb -0.05 -3.31 -0.01 0.00 1.34 0.00 0.00 72.50 70.47 1k2t s THR 701 CO -0.00 -0.10 1.00 -2.65 -0.54 0.00 0.00 174.62 172.33 1k2t n PRO 702 N -0.35 0.71 -3.97 3.99 -0.02 -1.26 -5.01 135.00 129.09 1k2t n PRO 702 Ca -0.08 0.29 -0.10 0.00 -2.02 0.00 0.00 63.50 61.60 1k2t n PRO 702 Cb 0.55 -2.24 -0.07 0.00 -0.02 0.00 0.00 33.50 31.72 1k2t n PRO 702 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1k2t s SER 703 N -1.47 0.04 -0.14 2.55 1.04 -0.91 -3.78 113.70 111.03 1k2t s SER 703 Ca 0.76 -0.88 -0.04 0.00 0.48 0.00 0.00 55.95 56.27 1k2t s SER 703 Cb -0.37 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.16 1k2t s SER 703 CO 0.48 -0.90 -0.00 -0.36 0.98 0.00 0.00 173.24 173.43 1k2t s PHE 704 N -3.97 3.12 0.17 5.02 0.40 -1.26 -1.38 117.98 120.07 1k2t s PHE 704 Ca 0.18 -0.04 0.05 0.00 -0.60 0.00 0.00 56.93 56.51 1k2t s PHE 704 Cb 0.03 -1.92 -0.05 0.00 0.51 0.00 0.00 43.02 41.59 1k2t s PHE 704 CO 0.01 0.18 -0.08 -1.21 0.70 0.00 0.00 175.22 174.82 1k2t s GLU 705 N -0.07 1.15 0.62 0.44 0.41 0.65 -4.94 118.70 116.97 1k2t s GLU 705 Ca 0.03 -1.52 -0.12 0.00 -0.41 0.00 0.00 54.97 52.95 1k2t s GLU 705 Cb -0.13 -0.66 -0.03 0.00 -1.78 0.00 0.00 34.13 31.53 1k2t s GLU 705 CO 0.02 0.04 1.03 0.71 -0.49 0.00 0.00 175.26 176.58 1k2t s TYR 706 N -3.32 3.39 -0.09 1.61 4.12 -1.26 -0.62 117.35 121.18 1k2t s TYR 706 Ca 0.20 1.38 -0.18 0.00 0.02 0.00 0.00 57.07 58.49 1k2t s TYR 706 Cb 0.03 -2.80 0.04 0.00 -1.52 0.00 0.00 41.96 37.71 1k2t s TYR 706 CO 0.03 -0.83 0.43 1.14 0.02 0.00 0.00 175.55 176.34 1k2t s GLN 707 N -4.85 0.66 0.25 -0.62 -2.07 -1.26 -4.72 119.66 107.04 1k2t s GLN 707 Ca 0.57 0.26 -0.29 0.00 -1.82 0.00 0.00 55.36 54.08 1k2t s GLN 707 Cb -0.12 0.31 -0.15 0.00 -1.09 0.00 0.00 33.01 31.96 1k2t s GLN 707 CO 0.49 -0.15 1.01 -2.30 -1.32 0.00 0.00 175.29 173.02 1k2t n PRO 708 N 1.96 1.20 -1.68 9.60 -0.02 -1.26 -4.86 135.00 139.93 1k2t n PRO 708 Ca -0.17 0.42 -0.43 0.00 -2.02 0.00 0.00 63.50 61.29 1k2t n PRO 708 Cb 0.57 -1.80 -0.01 0.00 -0.02 0.00 0.00 33.50 32.24 1k2t n PRO 708 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1k2t n ASP 709 N 1.50 2.72 -0.13 2.55 8.00 -1.26 -4.88 116.55 125.05 1k2t n ASP 709 Ca 0.12 1.18 -0.05 0.00 0.71 0.00 0.00 54.79 56.74 1k2t n ASP 709 Cb 0.29 -1.46 0.03 0.00 -0.02 0.00 0.00 41.12 39.97 1k2t n ASP 709 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1k2t h PRO 710 N 3.21 0.33 0.00 -0.24 0.13 -1.91 -2.05 132.00 131.48 1k2t h PRO 710 Ca -0.45 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1k2t h PRO 710 Cb 1.28 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1k2t h PRO 710 CO 0.68 0.22 -0.01 0.11 -0.23 0.00 0.00 178.00 178.77 1k2t h TRP 711 N 0.34 0.00 -0.05 1.56 0.09 -1.95 -0.23 115.95 115.71 1k2t h TRP 711 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.17 1k2t h TRP 711 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.39 1k2t h TRP 711 CO -0.14 0.01 0.00 0.09 0.09 0.00 0.00 178.44 178.50 1k2t n ASN 712 N -3.29 0.85 0.00 0.11 5.03 -0.77 -4.15 115.26 113.04 1k2t n ASN 712 Ca -0.03 -1.45 0.00 0.00 0.87 0.00 0.00 54.58 53.98 1k2t n ASN 712 Cb 0.11 -0.03 0.00 0.00 -1.02 0.00 0.00 39.78 38.84 1k2t n ASN 712 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1k2t n THR 713 N -0.27 0.00 -2.89 3.41 -2.24 -0.48 -4.99 114.28 106.81 1k2t n THR 713 Ca 0.18 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.55 1k2t n THR 713 Cb 0.22 0.97 -0.04 0.00 -2.10 0.00 0.00 70.33 69.38 1k2t n THR 713 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1k2t s HIS 714 N 0.00 3.69 -1.07 4.78 5.04 -0.22 -5.00 115.29 122.52 1k2t s HIS 714 Ca 0.00 1.52 -0.15 0.00 -1.54 0.00 0.00 55.06 54.89 1k2t s HIS 714 Cb 0.00 -2.92 0.16 0.00 0.04 0.00 0.00 32.58 29.86 1k2t s HIS 714 CO 0.00 0.15 1.25 0.14 -2.34 0.00 0.00 174.74 173.94 1k2t s VAL 715 N 0.42 5.01 -1.15 0.89 -7.23 -1.26 -5.01 120.40 112.06 1k2t s VAL 715 Ca 0.43 -2.25 0.00 0.00 -1.81 0.00 0.00 61.98 58.35 1k2t s VAL 715 Cb -0.20 -4.81 0.00 0.00 0.56 0.00 0.00 36.38 31.92 1k2t s VAL 715 CO 0.24 -1.51 0.29 0.79 -0.31 0.00 0.00 175.10 174.60