#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ghm n GLN 300 N 0.00 1.54 -0.43 0.00 6.02 -1.26 -4.84 117.38 118.41 3ghm n GLN 300 Ca 0.00 0.30 0.37 0.00 -0.01 0.00 0.00 57.00 57.66 3ghm n GLN 300 Cb 0.00 -3.29 0.63 0.00 1.02 0.00 0.00 30.24 28.60 3ghm n GLN 300 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 3ghm n PRO 301 N 8.85 -0.04 -0.12 -1.09 -0.02 -1.19 -0.19 135.00 141.21 3ghm n PRO 301 Ca 0.34 1.19 0.09 0.00 -2.02 0.00 0.00 63.50 63.10 3ghm n PRO 301 Cb 0.48 -2.32 0.43 0.00 -0.02 0.00 0.00 33.50 32.07 3ghm n PRO 301 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3ghm h GLY 302 N 0.00 0.74 2.00 -1.23 0.00 -0.99 0.55 103.07 104.14 3ghm h GLY 302 Ca 0.82 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.92 3ghm h GLY 302 CO -0.47 0.16 0.00 1.41 0.00 0.00 0.00 176.54 177.64 3ghm h LEU 303 N 0.57 0.00 0.00 3.11 3.38 -0.74 -3.04 115.31 118.58 3ghm h LEU 303 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3ghm h LEU 303 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3ghm h LEU 303 CO -0.09 0.00 -1.16 -1.22 0.09 0.00 0.00 178.44 176.06 3ghm n TYR 304 N -2.87 0.00 -3.67 1.13 4.02 -0.33 -1.83 117.16 113.61 3ghm n TYR 304 Ca 0.02 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.64 3ghm n TYR 304 Cb 0.38 -0.16 -0.17 0.00 -0.02 0.00 0.00 39.34 39.37 3ghm n TYR 304 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 3ghm s TYR 305 N -2.68 0.66 0.98 -0.72 1.51 0.18 -4.94 117.35 112.33 3ghm s TYR 305 Ca 0.00 -0.66 -0.13 0.00 -1.01 0.00 0.00 57.07 55.26 3ghm s TYR 305 Cb 0.10 -0.90 0.18 0.00 -0.11 0.00 0.00 41.96 41.22 3ghm s TYR 305 CO 0.60 -0.59 1.14 -1.54 -1.11 0.00 0.00 175.55 174.05 3ghm s SER 306 N 1.98 2.90 0.24 2.29 1.04 -1.25 -4.27 113.70 116.64 3ghm s SER 306 Ca 0.01 0.92 -0.06 0.00 0.48 0.00 0.00 55.95 57.30 3ghm s SER 306 Cb -0.17 -1.43 0.25 0.00 0.10 0.00 0.00 66.02 64.77 3ghm s SER 306 CO -0.11 -2.93 1.90 0.00 0.98 0.00 0.00 173.24 173.09 3ghm h ALA 307 N -1.76 1.24 -0.67 5.32 0.00 -1.90 -0.45 119.26 121.04 3ghm h ALA 307 Ca -0.50 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 3ghm h ALA 307 Cb 1.32 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 3ghm h ALA 307 CO 0.56 0.67 0.37 -0.91 0.00 0.00 0.00 179.25 179.94 3ghm h ASN 308 N 1.33 0.83 -0.33 0.00 4.21 -1.95 0.12 115.58 119.80 3ghm h ASN 308 Ca 0.35 -0.09 -0.02 0.00 1.21 0.00 0.00 56.30 57.75 3ghm h ASN 308 Cb -0.09 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 36.88 3ghm h ASN 308 CO -0.07 0.69 0.12 -0.08 -1.29 0.00 0.00 177.43 176.80 3ghm h GLU 309 N 0.92 0.50 -0.76 0.81 4.57 -1.75 0.08 114.58 118.96 3ghm h GLU 309 Ca 0.24 -0.10 0.05 0.00 -1.18 0.00 0.00 59.36 58.37 3ghm h GLU 309 Cb 0.03 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.49 3ghm h GLU 309 CO -0.04 0.51 0.46 1.96 -1.18 0.00 0.00 179.01 180.72 3ghm h GLN 310 N 0.38 0.83 -0.52 1.92 4.20 -0.66 -0.32 115.11 120.94 3ghm h GLN 310 Ca 0.11 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.70 3ghm h GLN 310 Cb 0.21 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 3ghm h GLN 310 CO -0.01 0.55 0.05 0.00 -0.67 0.00 0.00 178.83 178.75 3ghm h ARG 312 N 0.77 0.06 0.00 0.00 2.43 -0.09 0.51 114.38 118.06 3ghm h ARG 312 Ca 0.15 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.26 3ghm h ARG 312 Cb 0.46 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 3ghm h ARG 312 CO 0.02 0.04 -0.31 -0.39 -1.51 0.00 0.00 179.97 177.82 3ghm h VAL 313 N 0.06 0.95 0.13 0.20 -1.51 -1.07 -1.73 116.25 113.28 3ghm h VAL 313 Ca 0.03 -1.19 -0.01 0.00 -1.23 0.00 0.00 66.70 64.30 3ghm h VAL 313 Cb 0.01 1.69 0.00 0.00 -2.13 0.00 0.00 31.29 30.86 3ghm h VAL 313 CO -0.02 0.31 -0.06 0.00 -1.23 0.00 0.00 177.57 176.56 3ghm h ALA 314 N 1.69 -0.37 0.00 5.19 0.00 -0.81 -3.43 119.26 121.52 3ghm h ALA 314 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3ghm h ALA 314 Cb 0.67 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3ghm h ALA 314 CO 0.04 -0.36 -0.02 0.74 0.00 0.00 0.00 179.25 179.65 3ghm h PHE 315 N -0.43 0.00 -1.86 0.00 -1.00 -0.99 -3.51 116.94 109.14 3ghm h PHE 315 Ca -0.02 0.00 0.25 0.00 2.81 0.00 0.00 57.97 61.01 3ghm h PHE 315 Cb 0.13 0.00 -0.11 0.00 3.61 0.00 0.00 35.95 39.58 3ghm h PHE 315 CO 0.05 0.00 0.67 0.20 -1.61 0.00 0.00 178.31 177.61 3ghm s GLY 316 N -2.36 -0.34 0.21 -1.45 0.00 -0.65 -5.05 107.32 97.68 3ghm s GLY 316 Ca -0.01 0.57 -0.12 0.00 0.00 0.00 0.00 44.72 45.16 3ghm s GLY 316 CO 0.01 0.12 1.66 -2.55 0.00 0.00 0.00 173.10 172.35 3ghm h PRO 317 N 2.00 0.10 -1.99 2.90 0.11 -1.93 -2.29 132.00 130.90 3ghm h PRO 317 Ca -0.26 -0.01 -0.27 0.00 0.11 0.00 0.00 66.00 65.57 3ghm h PRO 317 Cb 1.21 -0.02 -0.10 0.00 0.11 0.00 0.00 31.00 32.20 3ghm h PRO 317 CO 0.27 0.07 -0.15 1.63 -0.21 0.00 0.00 178.00 179.61 3ghm n LYS 318 N -5.28 2.09 -4.87 1.05 4.01 -1.26 -4.88 118.16 109.01 3ghm n LYS 318 Ca 0.08 -1.36 -0.27 0.00 -0.51 0.00 0.00 58.31 56.25 3ghm n LYS 318 Cb 0.33 -2.01 -0.15 0.00 -0.51 0.00 0.00 35.03 32.69 3ghm n LYS 318 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3ghm s ALA 319 N 0.18 1.83 0.15 7.82 0.00 -0.86 -4.13 121.76 126.74 3ghm s ALA 319 Ca 0.63 -1.02 0.05 0.00 0.00 0.00 0.00 51.96 51.62 3ghm s ALA 319 Cb 0.33 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 3ghm s ALA 319 CO -0.06 0.43 -0.11 0.54 0.00 0.00 0.00 175.76 176.55 3ghm s VAL 320 N -0.66 1.28 0.00 0.00 0.11 -1.20 -4.43 120.40 115.50 3ghm s VAL 320 Ca 0.08 -2.02 0.00 0.00 -2.93 0.00 0.00 61.98 57.11 3ghm s VAL 320 Cb -0.09 -1.81 0.00 0.00 -1.53 0.00 0.00 36.38 32.95 3ghm s VAL 320 CO 0.01 -0.67 0.00 0.00 -3.33 0.00 0.00 175.10 171.11 3ghm n ALA 321 N -0.09 0.00 -0.10 1.54 0.00 -1.26 0.32 120.51 120.91 3ghm n ALA 321 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3ghm n ALA 321 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 3ghm n ALA 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ghm n MET 331 N -2.35 0.00 0.00 0.00 -0.00 -1.26 -4.98 117.12 108.53 3ghm n MET 331 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.70 57.80 3ghm n MET 331 Cb 0.00 0.00 0.52 0.00 -0.00 0.00 0.00 33.22 33.74 3ghm n MET 331 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3ghm n GLN 333 N -1.16 0.00 -4.39 0.00 1.13 -1.25 -2.14 117.38 109.57 3ghm n GLN 333 Ca 0.11 0.08 -0.30 0.00 -1.94 0.00 0.00 57.00 54.96 3ghm n GLN 333 Cb 0.11 -0.98 -0.12 0.00 0.11 0.00 0.00 30.24 29.36 3ghm n GLN 333 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3ghm s ALA 334 N -2.16 2.65 -0.94 -1.58 0.00 -1.25 -2.60 121.76 115.88 3ghm s ALA 334 Ca 0.00 -1.32 -0.24 0.00 0.00 0.00 0.00 51.96 50.40 3ghm s ALA 334 Cb 0.00 -0.65 0.02 0.00 0.00 0.00 0.00 23.12 22.49 3ghm s ALA 334 CO 0.00 0.59 1.56 -1.17 0.00 0.00 0.00 175.76 176.74 3ghm s LEU 335 N -1.98 3.37 0.23 0.00 2.96 -0.31 -4.81 118.68 118.14 3ghm s LEU 335 Ca 0.17 -1.06 -0.17 0.00 -0.22 0.00 0.00 54.13 52.85 3ghm s LEU 335 Cb -0.11 -2.56 -0.08 0.00 0.50 0.00 0.00 46.19 43.94 3ghm s LEU 335 CO 0.09 -1.88 0.69 -0.94 -1.32 0.00 0.00 176.35 172.99 3ghm s SER 336 N 5.67 6.95 0.00 3.68 1.04 -1.26 -2.72 113.70 127.05 3ghm s SER 336 Ca 0.51 1.32 0.00 0.00 0.48 0.00 0.00 55.95 58.26 3ghm s SER 336 Cb -0.03 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.71 3ghm s SER 336 CO -0.03 -0.01 0.00 0.00 0.98 0.00 0.00 173.24 174.18 3ghm s HIS 338 N -4.39 1.62 0.27 0.00 3.76 0.15 -0.97 115.29 115.73 3ghm s HIS 338 Ca 0.00 -1.96 -0.04 0.00 -0.15 0.00 0.00 55.06 52.91 3ghm s HIS 338 Cb 0.00 -1.64 0.56 0.00 1.11 0.00 0.00 32.58 32.61 3ghm s HIS 338 CO 0.00 -0.83 1.60 1.79 -0.85 0.00 0.00 174.74 176.45 3ghm h THR 339 N 5.79 0.17 -3.82 1.30 1.35 -1.83 -3.19 112.91 112.69 3ghm h THR 339 Ca -0.06 -0.02 -0.67 0.00 -0.55 0.00 0.00 66.41 65.11 3ghm h THR 339 Cb 0.97 0.11 -0.36 0.00 -1.73 0.00 0.00 68.15 67.14 3ghm h THR 339 CO 0.44 0.01 -0.79 -0.62 -0.25 0.00 0.00 175.52 174.32 3ghm s ASP 340 N -5.14 4.46 0.60 5.36 2.15 -1.26 -4.53 116.67 118.31 3ghm s ASP 340 Ca -0.13 -1.34 0.29 0.00 0.43 0.00 0.00 52.55 51.79 3ghm s ASP 340 Cb 0.26 -1.57 1.32 0.00 -0.30 0.00 0.00 42.92 42.62 3ghm s ASP 340 CO 0.77 -0.19 1.70 -0.65 -0.17 0.00 0.00 175.17 176.63 3ghm h PRO 341 N 7.82 0.00 -0.04 4.34 0.11 -1.72 0.15 132.00 142.65 3ghm h PRO 341 Ca -0.21 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.87 3ghm h PRO 341 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3ghm h PRO 341 CO 0.48 0.00 -0.10 -0.07 -0.21 0.00 0.00 178.00 178.10 3ghm h LEU 342 N 0.00 0.16 -8.69 2.35 3.38 -1.93 -3.41 115.31 107.17 3ghm h LEU 342 Ca 0.31 -0.59 -0.62 0.00 0.09 0.00 0.00 57.88 57.07 3ghm h LEU 342 Cb 1.78 -0.05 -0.12 0.00 0.09 0.00 0.00 40.66 42.36 3ghm h LEU 342 CO -0.00 0.72 0.38 -0.62 0.09 0.00 0.00 178.44 179.01 3ghm s ASP 343 N -6.00 6.46 -0.28 -0.43 3.68 0.51 -4.91 116.67 115.70 3ghm s ASP 343 Ca -0.16 0.05 0.09 0.00 2.13 0.00 0.00 52.55 54.66 3ghm s ASP 343 Cb 0.02 -2.39 0.46 0.00 -1.45 0.00 0.00 42.92 39.56 3ghm s ASP 343 CO 0.71 -0.87 1.34 0.00 0.13 0.00 0.00 175.17 176.48 3ghm n GLN 344 N 6.66 2.19 -0.34 4.34 6.02 -1.26 -4.53 117.38 130.46 3ghm n GLN 344 Ca 0.03 -3.47 0.08 0.00 -0.01 0.00 0.00 57.00 53.62 3ghm n GLN 344 Cb 0.48 -1.87 0.22 0.00 1.02 0.00 0.00 30.24 30.09 3ghm n GLN 344 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3ghm n SER 345 N -1.02 3.52 -3.55 1.08 3.41 -1.26 -4.93 113.62 110.86 3ghm n SER 345 Ca 0.32 -2.68 -0.01 0.00 -0.26 0.00 0.00 58.87 56.24 3ghm n SER 345 Cb 0.88 -0.43 -0.05 0.00 -0.26 0.00 0.00 64.21 64.35 3ghm n SER 345 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3ghm s SER 346 N -1.64 -0.85 -0.49 4.04 1.04 -1.26 -5.13 113.70 109.41 3ghm s SER 346 Ca 0.35 1.19 -0.14 0.00 0.48 0.00 0.00 55.95 57.84 3ghm s SER 346 Cb 0.26 1.87 0.10 0.00 0.10 0.00 0.00 66.02 68.35 3ghm s SER 346 CO 0.11 -0.17 0.41 0.00 0.98 0.00 0.00 173.24 174.56 3ghm s SER 348 N 2.90 5.95 0.72 0.00 0.15 -0.15 -4.57 113.70 118.71 3ghm s SER 348 Ca 0.04 1.99 -0.08 0.00 0.70 0.00 0.00 55.95 58.60 3ghm s SER 348 Cb -0.26 -2.52 0.06 0.00 -1.71 0.00 0.00 66.02 61.59 3ghm s SER 348 CO 0.04 -1.55 1.04 0.00 1.20 0.00 0.00 173.24 173.97 3ghm s ARG 349 N 5.44 2.21 -0.30 5.44 1.70 -1.26 -1.03 118.95 131.14 3ghm s ARG 349 Ca 0.89 -0.15 -0.02 0.00 -0.47 0.00 0.00 55.73 55.98 3ghm s ARG 349 Cb -0.33 -2.13 0.19 0.00 -0.57 0.00 0.00 34.95 32.11 3ghm s ARG 349 CO 0.35 -1.28 0.68 -1.17 -1.08 0.00 0.00 175.30 172.80 3ghm s LEU 350 N -5.30 -1.27 -0.61 -1.89 2.96 -1.10 -4.92 118.68 106.55 3ghm s LEU 350 Ca 0.60 0.64 -0.26 0.00 -0.22 0.00 0.00 54.13 54.89 3ghm s LEU 350 Cb -0.11 2.01 -0.10 0.00 0.50 0.00 0.00 46.19 48.49 3ghm s LEU 350 CO 0.46 -0.24 2.44 0.18 -1.32 0.00 0.00 176.35 177.87 3ghm n LEU 351 N 5.42 1.95 -3.65 -0.68 4.77 -1.26 -1.16 117.00 122.39 3ghm n LEU 351 Ca -0.00 -0.64 -0.00 0.00 -0.03 0.00 0.00 56.01 55.33 3ghm n LEU 351 Cb 0.52 -1.52 -0.06 0.00 -2.33 0.00 0.00 43.42 40.03 3ghm n LEU 351 CO -0.01 -1.71 1.01 0.54 -1.33 0.00 0.00 177.39 175.89 3ghm s VAL 352 N 12.20 0.00 0.53 4.08 0.11 -1.26 -4.94 120.40 131.13 3ghm s VAL 352 Ca 1.01 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 59.85 3ghm s VAL 352 Cb -0.28 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.52 3ghm s VAL 352 CO 0.25 0.00 1.23 -2.84 -3.33 0.00 0.00 175.10 170.41 3ghm s PRO 353 N 0.71 3.30 0.31 1.54 0.02 -1.07 -2.03 135.00 137.77 3ghm s PRO 353 Ca -0.03 1.90 -0.28 0.00 0.02 0.00 0.00 61.00 62.61 3ghm s PRO 353 Cb -0.03 -2.17 -0.09 0.00 0.02 0.00 0.00 34.50 32.22 3ghm s PRO 353 CO -0.12 -0.96 1.03 -0.51 -0.33 0.00 0.00 177.00 176.11 3ghm s LEU 354 N -3.58 4.43 0.48 -5.54 1.02 -0.91 -4.87 118.68 109.72 3ghm s LEU 354 Ca 0.71 2.08 -0.20 0.00 0.02 0.00 0.00 54.13 56.74 3ghm s LEU 354 Cb -0.32 -3.84 -0.12 0.00 0.02 0.00 0.00 46.19 41.94 3ghm s LEU 354 CO 0.37 -0.17 0.43 0.18 0.02 0.00 0.00 176.35 177.17 3ghm n LEU 355 N 0.80 -0.38 -4.68 1.79 4.77 -1.26 -4.65 117.00 113.40 3ghm n LEU 355 Ca 0.01 0.81 -0.42 0.00 -0.03 0.00 0.00 56.01 56.38 3ghm n LEU 355 Cb 0.47 -1.09 -0.03 0.00 -2.33 0.00 0.00 43.42 40.45 3ghm n LEU 355 CO 0.49 -3.26 1.15 -1.81 -1.33 0.00 0.00 177.39 172.63 3ghm s ASP 356 N -1.03 6.84 0.00 -1.43 -0.00 -1.26 -2.21 116.67 117.58 3ghm s ASP 356 Ca 0.64 2.05 0.00 0.00 -0.00 0.00 0.00 52.55 55.24 3ghm s ASP 356 Cb -0.53 -2.55 0.00 0.00 -0.00 0.00 0.00 42.92 39.83 3ghm s ASP 356 CO 0.58 -0.76 0.00 0.61 -0.00 0.00 0.00 175.17 175.60 3ghm n GLY 357 N 3.71 2.06 3.60 0.21 0.00 -0.33 -0.53 105.19 113.91 3ghm n GLY 357 Ca 0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 3ghm n GLY 357 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ghm n THR 358 N -0.25 2.03 -2.53 2.61 -1.04 -0.94 -4.18 114.28 109.98 3ghm n THR 358 Ca 0.00 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.05 61.10 3ghm n THR 358 Cb 0.00 -1.09 -0.04 0.00 -1.82 0.00 0.00 70.33 67.38 3ghm n THR 358 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 3ghm s GLU 359 N -1.64 4.64 0.00 -2.82 2.12 -1.26 -0.79 118.70 118.94 3ghm s GLU 359 Ca 0.59 1.71 0.00 0.00 0.36 0.00 0.00 54.97 57.63 3ghm s GLU 359 Cb -0.67 -3.26 0.00 0.00 0.26 0.00 0.00 34.13 30.47 3ghm s GLU 359 CO 0.60 0.16 0.33 0.00 -0.54 0.00 0.00 175.26 175.81 3ghm n GLY 361 N 0.00 1.66 3.56 0.00 0.00 -0.96 -4.93 105.19 104.52 3ghm n GLY 361 Ca 0.00 -0.97 -0.44 0.00 0.00 0.00 0.00 46.02 44.62 3ghm n GLY 361 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ghm n VAL 362 N -0.67 0.25 -1.60 1.61 0.31 -1.26 -0.47 118.33 116.51 3ghm n VAL 362 Ca 0.00 -0.46 -0.15 0.00 -0.01 0.00 0.00 64.34 63.72 3ghm n VAL 362 Cb 0.00 -2.39 -0.05 0.00 -0.91 0.00 0.00 33.84 30.49 3ghm n VAL 362 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3ghm n GLU 363 N 8.69 -1.06 -4.07 5.55 -0.58 -1.26 -4.98 120.64 122.92 3ghm n GLU 363 Ca 0.34 0.96 -0.32 0.00 -0.42 0.00 0.00 57.16 57.72 3ghm n GLU 363 Cb 0.41 -5.13 -0.16 0.00 -0.57 0.00 0.00 31.44 26.00 3ghm n GLU 363 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3ghm s LYS 364 N -3.55 2.60 0.46 3.49 1.02 0.38 -3.80 119.74 120.36 3ghm s LYS 364 Ca 0.00 -0.84 0.06 0.00 0.02 0.00 0.00 55.97 55.21 3ghm s LYS 364 Cb 0.00 -2.49 -0.02 0.00 -0.52 0.00 0.00 37.83 34.81 3ghm s LYS 364 CO 0.00 -0.29 0.27 -1.58 -0.92 0.00 0.00 175.35 172.83 3ghm s TRP 365 N 1.32 2.28 -0.12 3.18 0.51 -0.87 -1.05 118.94 124.19 3ghm s TRP 365 Ca 0.02 -0.67 -0.10 0.00 -2.12 0.00 0.00 56.10 53.23 3ghm s TRP 365 Cb -0.14 -1.96 -0.05 0.00 -0.81 0.00 0.00 33.47 30.51 3ghm s TRP 365 CO -0.11 -0.07 0.20 0.00 -0.51 0.00 0.00 176.95 176.47 3ghm s SER 367 N -0.51 0.47 -1.35 0.00 0.15 0.15 -1.19 113.70 111.42 3ghm s SER 367 Ca 0.15 0.50 -0.07 0.00 0.70 0.00 0.00 55.95 57.23 3ghm s SER 367 Cb -0.13 0.55 0.02 0.00 -1.71 0.00 0.00 66.02 64.75 3ghm s SER 367 CO 0.04 -0.24 1.08 0.29 1.20 0.00 0.00 173.24 175.62 3ghm n LYS 368 N 5.30 -7.10 -1.84 5.44 4.76 -1.26 -1.60 118.16 121.86 3ghm n LYS 368 Ca -0.06 0.78 -0.15 0.00 -2.87 0.00 0.00 58.31 56.00 3ghm n LYS 368 Cb 0.50 -5.77 -0.04 0.00 -1.84 0.00 0.00 35.03 27.88 3ghm n LYS 368 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ghm n GLY 369 N -1.76 0.71 2.95 0.72 0.00 -1.26 -5.00 105.19 101.55 3ghm n GLY 369 Ca -0.07 -0.27 -0.17 0.00 0.00 0.00 0.00 46.02 45.52 3ghm n GLY 369 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ghm s ARG 370 N -3.99 0.49 -0.71 1.61 0.52 -0.63 -3.93 118.95 112.32 3ghm s ARG 370 Ca 0.00 -0.17 -0.23 0.00 -0.52 0.00 0.00 55.73 54.81 3ghm s ARG 370 Cb 0.00 -0.50 0.07 0.00 0.52 0.00 0.00 34.95 35.04 3ghm s ARG 370 CO 0.00 0.08 1.05 0.00 0.02 0.00 0.00 175.30 176.45 3ghm n ARG 372 N 7.95 0.97 -4.62 0.00 1.74 -0.19 -4.93 116.66 117.58 3ghm n ARG 372 Ca 0.01 -1.92 -0.32 0.00 -0.77 0.00 0.00 57.85 54.85 3ghm n ARG 372 Cb 0.46 0.13 -0.06 0.00 -1.02 0.00 0.00 32.46 31.97 3ghm n ARG 372 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3ghm s SER 373 N -2.89 4.24 0.08 0.55 0.01 -1.26 -2.05 113.70 112.38 3ghm s SER 373 Ca 0.22 -1.62 -0.24 0.00 1.31 0.00 0.00 55.95 55.61 3ghm s SER 373 Cb -0.02 0.62 -0.16 0.00 0.21 0.00 0.00 66.02 66.68 3ghm s SER 373 CO 0.14 -0.95 1.68 0.25 0.41 0.00 0.00 173.24 174.77 3ghm h LEU 374 N 1.19 -0.08 -2.07 2.44 5.85 -1.98 -0.38 115.31 120.28 3ghm h LEU 374 Ca -0.43 -0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.34 3ghm h LEU 374 Cb 1.32 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.36 3ghm h LEU 374 CO 0.70 -0.01 0.35 -0.37 -0.34 0.00 0.00 178.44 178.77 3ghm h VAL 375 N -0.14 0.39 0.00 1.05 -1.51 -1.95 0.95 116.25 115.05 3ghm h VAL 375 Ca -0.01 0.00 -0.19 0.00 -1.23 0.00 0.00 66.70 65.27 3ghm h VAL 375 Cb 0.12 0.72 -0.03 0.00 -2.13 0.00 0.00 31.29 29.96 3ghm h VAL 375 CO 0.02 0.00 -1.42 -0.33 -1.23 0.00 0.00 177.57 174.60 3ghm h GLU 376 N 0.00 0.00 0.00 5.19 5.08 -1.74 -3.35 114.58 119.76 3ghm h GLU 376 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3ghm h GLU 376 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3ghm h GLU 376 CO -0.00 0.36 -0.60 1.28 -1.00 0.00 0.00 179.01 179.05 3ghm n LEU 377 N -2.95 0.60 -4.77 1.33 4.77 0.15 -4.90 117.00 111.23 3ghm n LEU 377 Ca -0.10 0.14 -0.38 0.00 -0.03 0.00 0.00 56.01 55.63 3ghm n LEU 377 Cb 0.88 -0.21 -0.04 0.00 -2.33 0.00 0.00 43.42 41.72 3ghm n LEU 377 CO 0.43 0.02 0.76 0.42 -1.33 0.00 0.00 177.39 177.69 3ghm s THR 378 N -3.11 3.63 0.44 -5.08 -4.23 -0.16 -3.75 115.64 103.39 3ghm s THR 378 Ca 0.08 1.43 -0.24 0.00 -1.18 0.00 0.00 61.69 61.77 3ghm s THR 378 Cb 0.15 -3.83 -0.08 0.00 1.34 0.00 0.00 72.50 70.09 3ghm s THR 378 CO 0.71 0.18 1.26 -2.16 -0.54 0.00 0.00 174.62 174.07 3ghm s PRO 379 N -1.98 3.78 -0.26 3.99 0.04 -1.26 -5.02 135.00 134.29 3ghm s PRO 379 Ca 0.51 2.02 -0.14 0.00 0.04 0.00 0.00 61.00 63.44 3ghm s PRO 379 Cb -0.27 -2.57 0.09 0.00 0.04 0.00 0.00 34.50 31.79 3ghm s PRO 379 CO 0.34 -0.60 0.63 -1.50 0.04 0.00 0.00 177.00 175.91 3ghm s ILE 380 N -1.37 -0.19 0.02 0.56 1.10 -1.25 -5.13 121.20 114.94 3ghm s ILE 380 Ca 0.61 0.02 -0.30 0.00 -0.51 0.00 0.00 60.65 60.47 3ghm s ILE 380 Cb -0.35 -0.93 -0.06 0.00 0.15 0.00 0.00 42.46 41.27 3ghm s ILE 380 CO 0.43 0.01 1.51 0.00 -2.11 0.00 0.00 174.94 174.78 3ghm s ALA 381 N 1.84 3.62 0.18 1.50 0.00 -1.26 -4.96 121.76 122.69 3ghm s ALA 381 Ca -0.09 0.99 -0.31 0.00 0.00 0.00 0.00 51.96 52.55 3ghm s ALA 381 Cb -0.07 -3.64 -0.09 0.00 0.00 0.00 0.00 23.12 19.31 3ghm s ALA 381 CO -0.19 -1.02 1.47 0.00 0.00 0.00 0.00 175.76 176.02 3ghm s ALA 382 N 2.63 3.67 -0.21 0.00 0.00 -1.26 -4.92 121.76 121.67 3ghm s ALA 382 Ca 0.68 1.28 -0.06 0.00 0.00 0.00 0.00 51.96 53.86 3ghm s ALA 382 Cb -0.34 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.17 3ghm s ALA 382 CO 0.28 -0.71 0.04 0.54 0.00 0.00 0.00 175.76 175.91 3ghm s VAL 383 N 0.72 4.26 0.22 0.00 0.11 -0.34 -4.92 120.40 120.45 3ghm s VAL 383 Ca 0.65 -0.20 -0.18 0.00 -2.93 0.00 0.00 61.98 59.31 3ghm s VAL 383 Cb -0.41 -2.95 -0.08 0.00 -1.53 0.00 0.00 36.38 31.41 3ghm s VAL 383 CO 0.35 0.40 0.69 -1.00 -3.33 0.00 0.00 175.10 172.21 3ghm s HIS 384 N 1.09 3.61 0.76 1.54 3.76 -1.26 -1.89 115.29 122.89 3ghm s HIS 384 Ca 0.03 1.31 -0.13 0.00 -0.15 0.00 0.00 55.06 56.12 3ghm s HIS 384 Cb -0.14 -2.56 0.05 0.00 1.11 0.00 0.00 32.58 31.04 3ghm s HIS 384 CO 0.02 0.33 1.14 0.20 -0.85 0.00 0.00 174.74 175.58 3ghm s GLY 385 N -1.73 1.98 -0.09 -2.22 0.00 -0.78 -4.71 107.32 99.76 3ghm s GLY 385 Ca 0.43 0.56 -0.07 0.00 0.00 0.00 0.00 44.72 45.64 3ghm s GLY 385 CO 0.20 0.93 0.23 0.50 0.00 0.00 0.00 173.10 174.96 3ghm s ARG 386 N -4.38 0.23 0.70 2.90 0.52 -0.64 -4.57 118.95 113.71 3ghm s ARG 386 Ca 0.67 0.40 -0.16 0.00 -0.52 0.00 0.00 55.73 56.12 3ghm s ARG 386 Cb -0.22 0.02 0.02 0.00 0.52 0.00 0.00 34.95 35.29 3ghm s ARG 386 CO 0.50 -0.09 1.20 -1.58 0.02 0.00 0.00 175.30 175.35 3ghm s TRP 387 N 0.60 2.16 0.63 -0.53 0.52 -1.26 -1.42 118.94 119.64 3ghm s TRP 387 Ca -0.04 1.58 0.03 0.00 0.02 0.00 0.00 56.10 57.69 3ghm s TRP 387 Cb -0.05 -3.45 0.09 0.00 -1.15 0.00 0.00 33.47 28.91 3ghm s TRP 387 CO -0.03 -2.48 0.87 -1.54 0.02 0.00 0.00 176.95 173.79 3ghm s SER 388 N -2.00 4.79 0.80 2.95 1.04 0.03 -4.54 113.70 116.76 3ghm s SER 388 Ca 0.74 -0.47 -0.11 0.00 0.48 0.00 0.00 55.95 56.59 3ghm s SER 388 Cb -0.29 -0.08 0.07 0.00 0.10 0.00 0.00 66.02 65.82 3ghm s SER 388 CO 0.43 -1.53 1.09 -0.44 0.98 0.00 0.00 173.24 173.77 3ghm s SER 389 N -4.65 4.34 0.08 7.02 0.01 -1.26 -4.67 113.70 114.57 3ghm s SER 389 Ca 0.63 1.63 -0.30 0.00 1.31 0.00 0.00 55.95 59.22 3ghm s SER 389 Cb -0.06 -2.36 -0.06 0.00 0.21 0.00 0.00 66.02 63.75 3ghm s SER 389 CO 0.41 -2.11 1.14 0.26 0.41 0.00 0.00 173.24 173.36 3ghm s TRP 390 N -2.96 3.50 0.00 2.43 0.52 -1.26 -4.66 118.94 116.50 3ghm s TRP 390 Ca 0.61 1.43 0.00 0.00 0.02 0.00 0.00 56.10 58.16 3ghm s TRP 390 Cb -0.17 -3.34 0.00 0.00 -1.15 0.00 0.00 33.47 28.81 3ghm s TRP 390 CO 0.56 -0.94 0.00 0.41 0.02 0.00 0.00 176.95 177.00 3ghm n GLY 391 N 2.90 -3.64 3.78 0.98 0.00 -1.05 -4.96 105.19 103.20 3ghm n GLY 391 Ca 0.07 -1.22 -0.37 0.00 0.00 0.00 0.00 46.02 44.50 3ghm n GLY 391 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ghm s PRO 392 N -2.29 4.36 0.16 1.61 0.04 -1.26 -4.86 135.00 132.76 3ghm s PRO 392 Ca 0.00 1.46 -0.31 0.00 0.04 0.00 0.00 61.00 62.19 3ghm s PRO 392 Cb 0.00 -2.68 -0.09 0.00 0.04 0.00 0.00 34.50 31.77 3ghm s PRO 392 CO 0.00 0.04 1.48 1.03 0.04 0.00 0.00 177.00 179.59 3ghm s ARG 393 N -2.26 4.27 0.90 4.56 0.52 -1.26 -4.65 118.95 121.02 3ghm s ARG 393 Ca 0.54 2.24 -0.12 0.00 -0.52 0.00 0.00 55.73 57.87 3ghm s ARG 393 Cb -0.21 -3.19 0.13 0.00 0.52 0.00 0.00 34.95 32.20 3ghm s ARG 393 CO 0.27 -0.51 1.11 -1.54 0.02 0.00 0.00 175.30 174.65 3ghm s SER 394 N 1.02 3.57 0.39 0.23 1.04 -0.54 -5.00 113.70 114.42 3ghm s SER 394 Ca 0.66 1.19 -0.25 0.00 0.48 0.00 0.00 55.95 58.03 3ghm s SER 394 Cb -0.41 -1.85 -0.09 0.00 0.10 0.00 0.00 66.02 63.78 3ghm s SER 394 CO 0.32 -2.54 1.09 -2.16 0.98 0.00 0.00 173.24 170.94 3ghm s PRO 395 N -5.12 4.18 0.26 4.02 0.04 -1.26 -4.69 135.00 132.43 3ghm s PRO 395 Ca 0.63 1.65 -0.31 0.00 0.04 0.00 0.00 61.00 63.02 3ghm s PRO 395 Cb -0.16 -2.66 -0.13 0.00 0.04 0.00 0.00 34.50 31.59 3ghm s PRO 395 CO 0.55 -0.16 1.42 0.00 0.04 0.00 0.00 177.00 178.85 3ghm n SER 397 N 2.02 0.37 -3.87 0.00 3.41 -0.98 -4.81 113.62 109.76 3ghm n SER 397 Ca 0.11 0.58 -0.09 0.00 -0.26 0.00 0.00 58.87 59.20 3ghm n SER 397 Cb 0.33 -0.67 -0.08 0.00 -0.26 0.00 0.00 64.21 63.53 3ghm n SER 397 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3ghm s ARG 398 N -3.15 0.76 0.00 4.33 0.52 -1.26 -4.88 118.95 115.27 3ghm s ARG 398 Ca 0.07 -0.85 0.22 0.00 -0.52 0.00 0.00 55.73 54.64 3ghm s ARG 398 Cb 0.10 0.31 -0.06 0.00 0.52 0.00 0.00 34.95 35.82 3ghm s ARG 398 CO 0.37 -0.23 1.02 -1.13 0.02 0.00 0.00 175.30 175.35 3ghm n SER 399 N 0.25 0.88 -2.30 0.23 3.41 -1.26 -4.57 113.62 110.26 3ghm n SER 399 Ca -0.16 -0.82 -0.07 0.00 -0.26 0.00 0.00 58.87 57.56 3ghm n SER 399 Cb 0.61 0.83 0.02 0.00 -0.26 0.00 0.00 64.21 65.41 3ghm n SER 399 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ghm n GLY 401 N -0.39 0.16 1.51 0.00 0.00 0.26 -4.16 105.19 102.58 3ghm n GLY 401 Ca -0.05 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.96 3ghm n GLY 401 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ghm n GLY 402 N -1.56 -2.87 0.88 -0.02 0.00 0.22 -4.91 105.19 96.93 3ghm n GLY 402 Ca 0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 46.02 45.70 3ghm n GLY 402 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ghm n GLY 403 N 0.01 1.12 3.44 -0.02 0.00 0.29 -4.76 105.19 105.28 3ghm n GLY 403 Ca -0.00 -2.03 -0.28 0.00 0.00 0.00 0.00 46.02 43.71 3ghm n GLY 403 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ghm s VAL 404 N -0.29 2.53 -0.15 1.61 1.01 -1.26 -0.42 120.40 123.43 3ghm s VAL 404 Ca 0.15 -1.75 -0.01 0.00 0.00 0.00 0.00 61.98 60.36 3ghm s VAL 404 Cb -0.01 -2.17 0.04 0.00 0.00 0.00 0.00 36.38 34.25 3ghm s VAL 404 CO 0.10 0.02 -0.02 0.54 0.00 0.00 0.00 175.10 175.74 3ghm s VAL 405 N -1.30 0.76 0.33 2.92 0.11 0.22 -2.33 120.40 121.11 3ghm s VAL 405 Ca 0.18 -0.42 0.08 0.00 -2.93 0.00 0.00 61.98 58.90 3ghm s VAL 405 Cb -0.09 -1.02 -0.04 0.00 -1.53 0.00 0.00 36.38 33.69 3ghm s VAL 405 CO 0.09 0.07 0.12 0.42 -3.33 0.00 0.00 175.10 172.47 3ghm s THR 406 N 1.78 3.11 -0.29 5.04 -4.23 -1.26 -1.26 115.64 118.54 3ghm s THR 406 Ca 0.01 -1.73 -0.07 0.00 -1.18 0.00 0.00 61.69 58.72 3ghm s THR 406 Cb -0.15 -2.96 0.14 0.00 1.34 0.00 0.00 72.50 70.87 3ghm s THR 406 CO -0.07 -0.22 0.61 0.00 -0.54 0.00 0.00 174.62 174.40 3ghm s ARG 407 N -3.81 0.55 1.32 3.99 1.70 -0.89 -1.46 118.95 120.35 3ghm s ARG 407 Ca 0.36 1.26 -0.21 0.00 -0.47 0.00 0.00 55.73 56.68 3ghm s ARG 407 Cb -0.03 0.69 0.33 0.00 -0.57 0.00 0.00 34.95 35.37 3ghm s ARG 407 CO 0.22 -0.34 1.00 1.03 -1.08 0.00 0.00 175.30 176.13 3ghm s ARG 408 N 2.85 -2.17 -0.08 3.89 1.81 -1.26 -3.44 118.95 120.55 3ghm s ARG 408 Ca 0.03 0.14 -0.16 0.00 -1.72 0.00 0.00 55.73 54.02 3ghm s ARG 408 Cb -0.13 -1.47 0.03 0.00 -0.45 0.00 0.00 34.95 32.94 3ghm s ARG 408 CO -0.19 -4.38 0.39 0.50 -0.68 0.00 0.00 175.30 170.94 3ghm s ARG 409 N -5.12 0.62 0.05 3.54 3.52 0.56 -2.54 118.95 119.59 3ghm s ARG 409 Ca 0.69 0.19 0.07 0.00 -0.13 0.00 0.00 55.73 56.55 3ghm s ARG 409 Cb -0.13 0.29 -0.03 0.00 -1.56 0.00 0.00 34.95 33.52 3ghm s ARG 409 CO 0.58 -0.14 -0.19 -0.65 -0.81 0.00 0.00 175.30 174.09 3ghm s GLN 410 N -0.63 1.23 -1.13 5.12 1.11 -1.26 -4.78 119.66 119.32 3ghm s GLN 410 Ca -0.07 -0.92 -0.05 0.00 0.01 0.00 0.00 55.36 54.33 3ghm s GLN 410 Cb -0.04 -1.33 0.27 0.00 -1.01 0.00 0.00 33.01 30.90 3ghm s GLN 410 CO 0.03 0.33 1.68 0.00 0.01 0.00 0.00 175.29 177.34 3ghm n ASN 412 N 1.70 0.17 -2.92 0.00 0.23 -1.23 -4.10 115.26 109.10 3ghm n ASN 412 Ca 0.34 -1.82 -0.27 0.00 -0.53 0.00 0.00 54.58 52.30 3ghm n ASN 412 Cb 0.32 -0.16 -0.04 0.00 -2.08 0.00 0.00 39.78 37.82 3ghm n ASN 412 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 3ghm n ASN 413 N -0.09 4.38 -4.94 0.53 5.15 -0.51 -3.16 115.26 116.62 3ghm n ASN 413 Ca 0.01 -3.67 -0.20 0.00 -0.60 0.00 0.00 54.58 50.12 3ghm n ASN 413 Cb 0.64 -0.56 0.05 0.00 -0.53 0.00 0.00 39.78 39.38 3ghm n ASN 413 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3ghm s PRO 414 N -3.45 2.43 0.39 1.20 0.04 -1.24 -4.27 135.00 130.10 3ghm s PRO 414 Ca 0.49 -1.14 -0.24 0.00 0.04 0.00 0.00 61.00 60.15 3ghm s PRO 414 Cb 0.29 -2.57 -0.10 0.00 0.04 0.00 0.00 34.50 32.16 3ghm s PRO 414 CO -0.14 -0.74 1.00 0.50 0.04 0.00 0.00 177.00 177.66 3ghm s ARG 415 N -4.69 4.28 0.43 4.56 3.52 -0.76 -1.61 118.95 124.68 3ghm s ARG 415 Ca 0.59 1.38 -0.26 0.00 -0.13 0.00 0.00 55.73 57.32 3ghm s ARG 415 Cb -0.08 -2.54 -0.08 0.00 -1.56 0.00 0.00 34.95 30.68 3ghm s ARG 415 CO 0.38 -0.01 1.34 -2.14 -0.81 0.00 0.00 175.30 174.06 3ghm s PRO 416 N -2.51 3.84 -0.09 5.12 0.02 -1.26 -4.64 135.00 135.47 3ghm s PRO 416 Ca 0.57 2.24 -0.30 0.00 0.02 0.00 0.00 61.00 63.53 3ghm s PRO 416 Cb -0.19 -2.70 0.08 0.00 0.02 0.00 0.00 34.50 31.72 3ghm s PRO 416 CO 0.24 -0.63 0.73 0.00 -0.33 0.00 0.00 177.00 177.01 3ghm s ALA 417 N -1.25 -1.80 -0.92 -1.55 0.00 -0.79 -4.83 121.76 110.62 3ghm s ALA 417 Ca 0.59 1.44 -0.03 0.00 0.00 0.00 0.00 51.96 53.95 3ghm s ALA 417 Cb -0.40 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.48 3ghm s ALA 417 CO 0.51 -0.36 0.79 1.19 0.00 0.00 0.00 175.76 177.89 3ghm n PHE 418 N 1.10 -1.84 -2.16 0.00 0.99 -1.26 -1.19 117.46 113.10 3ghm n PHE 418 Ca -0.17 0.70 -0.03 0.00 -0.00 0.00 0.00 57.45 57.95 3ghm n PHE 418 Cb 0.57 -4.03 0.00 0.00 -1.00 0.00 0.00 39.48 35.02 3ghm n PHE 418 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3ghm n GLY 419 N -1.36 0.35 3.83 1.37 0.00 -1.26 -4.28 105.19 103.85 3ghm n GLY 419 Ca -0.09 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.87 3ghm n GLY 419 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ghm s GLY 420 N -2.91 1.91 -0.21 -0.02 0.00 -1.16 -4.86 107.32 100.08 3ghm s GLY 420 Ca 0.01 0.16 -0.16 0.00 0.00 0.00 0.00 44.72 44.74 3ghm s GLY 420 CO 0.02 0.46 0.40 0.50 0.00 0.00 0.00 173.10 174.47 3ghm s ARG 421 N -4.51 4.16 0.96 2.90 0.52 -1.26 -4.71 118.95 117.01 3ghm s ARG 421 Ca 0.59 0.19 -0.14 0.00 -0.52 0.00 0.00 55.73 55.85 3ghm s ARG 421 Cb -0.13 -3.55 0.00 0.00 0.52 0.00 0.00 34.95 31.80 3ghm s ARG 421 CO 0.43 -0.06 0.16 0.00 0.02 0.00 0.00 175.30 175.85 3ghm n ALA 422 N 4.56 -3.19 -1.77 2.13 0.00 -1.26 -1.87 120.51 119.10 3ghm n ALA 422 Ca -0.08 -0.63 -0.41 0.00 0.00 0.00 0.00 53.44 52.32 3ghm n ALA 422 Cb 0.51 -1.67 -0.01 0.00 0.00 0.00 0.00 19.45 18.28 3ghm n ALA 422 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ghm s VAL 424 N -1.13 4.96 -5.00 0.00 1.01 -1.26 -4.97 120.40 114.01 3ghm s VAL 424 Ca 0.51 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 61.40 3ghm s VAL 424 Cb -0.44 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.00 3ghm s VAL 424 CO 0.59 -0.51 0.00 0.61 0.00 0.00 0.00 175.10 175.78 3ghm n GLY 425 N 5.12 -0.16 3.55 4.51 0.00 -1.26 -5.08 105.19 111.87 3ghm n GLY 425 Ca -0.12 -1.31 -0.33 0.00 0.00 0.00 0.00 46.02 44.26 3ghm n GLY 425 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ghm s ALA 426 N -1.00 2.89 -0.21 4.61 0.00 -1.26 -5.01 121.76 121.78 3ghm s ALA 426 Ca 0.00 -0.93 0.21 0.00 0.00 0.00 0.00 51.96 51.23 3ghm s ALA 426 Cb 0.00 -1.14 -0.03 0.00 0.00 0.00 0.00 23.12 21.95 3ghm s ALA 426 CO 0.00 0.57 1.00 0.38 0.00 0.00 0.00 175.76 177.71 3ghm h ASP 427 N 5.19 0.00 -3.35 0.00 3.04 -1.97 -3.47 116.42 115.86 3ghm h ASP 427 Ca -0.48 0.00 -0.68 0.00 -3.24 0.00 0.00 57.03 52.63 3ghm h ASP 427 Cb 1.17 0.00 -0.15 0.00 -1.04 0.00 0.00 39.33 39.31 3ghm h ASP 427 CO 0.52 0.18 -0.63 -0.22 -2.04 0.00 0.00 179.24 177.05 3ghm s LEU 428 N -5.53 3.55 -0.02 0.15 2.96 -1.26 -0.32 118.68 118.20 3ghm s LEU 428 Ca -0.01 0.09 0.01 0.00 -0.22 0.00 0.00 54.13 54.00 3ghm s LEU 428 Cb 0.09 -1.89 0.02 0.00 0.50 0.00 0.00 46.19 44.91 3ghm s LEU 428 CO 0.79 0.34 -0.02 -1.58 -1.32 0.00 0.00 176.35 174.57 3ghm s GLN 429 N -1.12 0.39 0.09 1.98 0.74 -1.22 -5.02 119.66 115.49 3ghm s GLN 429 Ca 0.16 -0.02 0.05 0.00 0.05 0.00 0.00 55.36 55.60 3ghm s GLN 429 Cb -0.11 -0.49 -0.03 0.00 1.10 0.00 0.00 33.01 33.48 3ghm s GLN 429 CO 0.05 -0.06 -0.12 0.00 -0.55 0.00 0.00 175.29 174.60 3ghm s ALA 430 N 0.68 1.17 0.06 1.58 0.00 -1.26 -2.08 121.76 121.91 3ghm s ALA 430 Ca -0.07 -1.09 -0.08 0.00 0.00 0.00 0.00 51.96 50.72 3ghm s ALA 430 Cb -0.10 -0.05 -0.00 0.00 0.00 0.00 0.00 23.12 22.97 3ghm s ALA 430 CO -0.01 0.08 0.16 -1.21 0.00 0.00 0.00 175.76 174.78 3ghm s GLU 431 N -2.19 0.73 0.14 0.00 2.02 -0.39 -1.68 118.70 117.34 3ghm s GLU 431 Ca 0.01 -0.84 -0.18 0.00 0.02 0.00 0.00 54.97 53.99 3ghm s GLU 431 Cb -0.07 0.30 -0.07 0.00 0.10 0.00 0.00 34.13 34.38 3ghm s GLU 431 CO 0.02 -0.21 0.61 -1.64 0.02 0.00 0.00 175.26 174.05 3ghm s MET 432 N -3.23 4.14 0.09 1.61 -1.94 -0.67 0.71 119.30 119.99 3ghm s MET 432 Ca 0.00 0.68 0.02 0.00 -1.71 0.00 0.00 55.69 54.69 3ghm s MET 432 Cb 0.02 -3.02 -0.04 0.00 2.01 0.00 0.00 34.83 33.80 3ghm s MET 432 CO -0.08 0.51 -0.07 0.00 -0.01 0.00 0.00 175.02 175.37 3ghm n ASN 434 N 0.38 -5.20 0.27 0.00 3.02 -1.26 0.10 115.26 112.57 3ghm n ASN 434 Ca -0.15 -1.03 0.16 0.00 -0.03 0.00 0.00 54.58 53.53 3ghm n ASN 434 Cb 0.59 -3.03 0.70 0.00 -0.61 0.00 0.00 39.78 37.43 3ghm n ASN 434 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3ghm h THR 435 N -1.83 0.17 -2.40 3.41 2.02 -1.90 0.63 112.91 113.00 3ghm h THR 435 Ca -0.64 -0.58 -0.61 0.00 0.77 0.00 0.00 66.41 65.34 3ghm h THR 435 Cb 1.36 1.50 0.12 0.00 -1.74 0.00 0.00 68.15 69.38 3ghm h THR 435 CO 0.47 0.06 -0.01 0.00 0.37 0.00 0.00 175.52 176.41 3ghm n GLN 436 N -3.20 1.10 -1.50 6.66 0.00 -1.26 -4.07 117.38 115.11 3ghm n GLN 436 Ca -0.00 0.39 -0.31 0.00 0.00 0.00 0.00 57.00 57.08 3ghm n GLN 436 Cb 0.30 -1.74 0.07 0.00 0.00 0.00 0.00 30.24 28.87 3ghm n GLN 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3ghm s ALA 437 N -1.15 2.41 0.14 2.61 0.00 -1.26 0.89 121.76 125.40 3ghm s ALA 437 Ca 0.61 0.01 0.02 0.00 0.00 0.00 0.00 51.96 52.60 3ghm s ALA 437 Cb -0.68 -3.17 0.02 0.00 0.00 0.00 0.00 23.12 19.29 3ghm s ALA 437 CO 0.59 -1.53 0.18 0.00 0.00 0.00 0.00 175.76 174.99 3ghm n GLU 439 N -1.22 0.18 -4.43 0.00 1.02 -1.26 -4.86 120.64 110.08 3ghm n GLU 439 Ca 0.03 -0.06 -0.29 0.00 -0.02 0.00 0.00 57.16 56.82 3ghm n GLU 439 Cb 0.15 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.01 3ghm n GLU 439 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3ghm s LYS 440 N -2.86 2.19 0.42 3.49 -0.14 -1.26 -5.16 119.74 116.42 3ghm s LYS 440 Ca 0.17 -2.18 0.08 0.00 -1.36 0.00 0.00 55.97 52.68 3ghm s LYS 440 Cb 0.19 -1.76 0.01 0.00 -1.68 0.00 0.00 37.83 34.59 3ghm s LYS 440 CO 0.57 -0.34 0.54 0.95 -0.76 0.00 0.00 175.35 176.31 3ghm s THR 441 N -2.78 2.94 0.21 2.17 -4.23 -1.26 -4.99 115.64 107.69 3ghm s THR 441 Ca 0.22 -1.06 -0.08 0.00 -1.18 0.00 0.00 61.69 59.59 3ghm s THR 441 Cb 0.02 -2.99 0.14 0.00 1.34 0.00 0.00 72.50 71.01 3ghm s THR 441 CO 0.12 0.00 1.76 1.56 -0.54 0.00 0.00 174.62 177.52 3ghm h GLN 442 N 0.70 1.16 -0.32 3.99 1.08 -1.98 -1.45 115.11 118.29 3ghm h GLN 442 Ca -0.40 -0.23 -0.01 0.00 -1.45 0.00 0.00 58.65 56.56 3ghm h GLN 442 Cb 1.28 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 28.51 3ghm h GLN 442 CO 0.47 0.96 0.15 1.25 -0.95 0.00 0.00 178.83 180.71 3ghm h LEU 443 N 1.11 0.41 -0.37 1.46 5.85 -1.95 -2.22 115.31 119.62 3ghm h LEU 443 Ca 0.25 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.86 3ghm h LEU 443 Cb 0.25 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3ghm h LEU 443 CO -0.02 0.42 0.21 -0.33 -0.34 0.00 0.00 178.44 178.39 3ghm h GLU 444 N 0.38 0.42 -0.37 1.25 5.08 -1.90 -0.04 114.58 119.40 3ghm h GLU 444 Ca 0.11 -0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.52 3ghm h GLU 444 Cb 0.12 -0.10 -0.09 0.00 0.50 0.00 0.00 28.75 29.18 3ghm h GLU 444 CO -0.01 0.28 -0.30 0.35 -1.00 0.00 0.00 179.01 178.33 3ghm h PHE 445 N 0.44 -0.82 -0.45 4.33 -0.00 -0.98 0.67 116.94 120.13 3ghm h PHE 445 Ca 0.14 0.05 0.03 0.00 -0.00 0.00 0.00 57.97 58.20 3ghm h PHE 445 Cb 0.00 0.42 -0.03 0.00 -0.00 0.00 0.00 35.95 36.34 3ghm h PHE 445 CO -0.07 -0.37 0.25 1.98 -0.00 0.00 0.00 178.31 180.10 3ghm h MET 446 N -0.25 0.48 -0.94 1.11 4.05 -0.97 -1.99 114.93 116.42 3ghm h MET 446 Ca 0.17 -0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.58 3ghm h MET 446 Cb 0.52 -0.11 -0.05 0.00 -0.80 0.00 0.00 31.60 31.16 3ghm h MET 446 CO -0.51 0.32 0.62 0.77 0.23 0.00 0.00 176.91 178.34 3ghm h SER 447 N 0.50 1.05 -0.49 1.39 0.02 0.76 -1.81 113.55 114.97 3ghm h SER 447 Ca 0.19 -0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.17 3ghm h SER 447 Cb 0.05 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.30 3ghm h SER 447 CO -0.11 0.74 0.24 1.56 -1.14 0.00 0.00 176.83 178.12 3ghm h GLN 448 N 1.23 0.45 -0.88 3.45 4.20 0.97 0.20 115.11 124.74 3ghm h GLN 448 Ca 0.36 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 59.02 3ghm h GLN 448 Cb -0.06 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.57 3ghm h GLN 448 CO -0.10 0.30 0.46 1.96 -0.67 0.00 0.00 178.83 180.78 3ghm h GLN 449 N 0.46 1.23 -0.11 1.46 4.20 -0.83 -2.19 115.11 119.33 3ghm h GLN 449 Ca 0.22 -0.15 -0.13 0.00 0.06 0.00 0.00 58.65 58.64 3ghm h GLN 449 Cb 0.15 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 3ghm h GLN 449 CO -0.17 0.91 -0.51 0.00 -0.67 0.00 0.00 178.83 178.39 3ghm h ALA 451 N 1.23 0.65 0.00 0.00 0.00 -0.22 -3.12 119.26 117.80 3ghm h ALA 451 Ca 0.01 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3ghm h ALA 451 Cb 0.98 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3ghm h ALA 451 CO 0.08 0.68 0.16 0.54 0.00 0.00 0.00 179.25 180.71 3ghm n ARG 452 N -4.00 0.00 -0.03 0.00 1.74 -0.86 0.48 116.66 113.97 3ghm n ARG 452 Ca -0.03 0.33 0.09 0.00 -0.77 0.00 0.00 57.85 57.47 3ghm n ARG 452 Cb 0.58 -1.66 0.09 0.00 -1.02 0.00 0.00 32.46 30.46 3ghm n ARG 452 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3ghm n THR 453 N -1.32 0.12 0.32 0.55 -2.24 -1.18 -4.45 114.28 106.08 3ghm n THR 453 Ca 0.00 -0.56 0.18 0.00 -2.27 0.00 0.00 64.05 61.40 3ghm n THR 453 Cb 0.16 1.26 0.96 0.00 -2.10 0.00 0.00 70.33 70.60 3ghm n THR 453 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3ghm h ASP 454 N 3.38 0.00 0.42 3.42 3.32 -0.14 -0.39 116.42 126.44 3ghm h ASP 454 Ca 0.00 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.85 3ghm h ASP 454 Cb 0.74 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 3ghm h ASP 454 CO 0.00 0.00 -0.83 1.23 -1.72 0.00 0.00 179.24 177.92 3ghm h GLY 455 N 0.00 0.34 -6.83 2.75 0.00 -1.79 -3.41 103.07 94.13 3ghm h GLY 455 Ca 0.00 -0.55 -0.56 0.00 0.00 0.00 0.00 47.33 46.22 3ghm h GLY 455 CO 0.00 0.48 1.07 1.20 0.00 0.00 0.00 176.54 179.29 3ghm s GLN 456 N -3.37 3.53 0.53 4.80 -0.21 -0.16 -5.00 119.66 119.78 3ghm s GLN 456 Ca -0.04 0.83 -0.19 0.00 0.02 0.00 0.00 55.36 55.98 3ghm s GLN 456 Cb 0.10 -4.04 -0.06 0.00 1.00 0.00 0.00 33.01 30.01 3ghm s GLN 456 CO 0.84 -1.62 1.09 -1.25 -2.12 0.00 0.00 175.29 172.22 3ghm s PRO 457 N 5.01 3.48 0.00 2.91 0.04 -1.26 -4.85 135.00 140.33 3ghm s PRO 457 Ca 0.59 1.48 0.03 0.00 0.04 0.00 0.00 61.00 63.14 3ghm s PRO 457 Cb -0.13 -2.04 0.05 0.00 0.04 0.00 0.00 34.50 32.43 3ghm s PRO 457 CO 0.31 -0.72 0.83 -0.11 0.04 0.00 0.00 177.00 177.35 3ghm n LEU 458 N -1.30 -0.26 -2.52 -3.56 7.94 -1.26 -5.01 117.00 111.02 3ghm n LEU 458 Ca 0.10 -1.50 -0.03 0.00 -1.11 0.00 0.00 56.01 53.48 3ghm n LEU 458 Cb 0.52 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.44 3ghm n LEU 458 CO 0.42 1.04 -0.54 -0.24 -1.11 0.00 0.00 177.39 176.96 3ghm n SER 466 N 0.06 -3.50 -4.87 1.96 2.88 -1.26 -5.05 113.62 103.83 3ghm n SER 466 Ca -0.10 1.24 -0.30 0.00 -1.33 0.00 0.00 58.87 58.38 3ghm n SER 466 Cb 0.68 -4.84 -0.01 0.00 -0.75 0.00 0.00 64.21 59.28 3ghm n SER 466 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 3ghm s PHE 467 N -0.98 3.56 0.30 0.66 0.40 -1.26 -5.09 117.98 115.57 3ghm s PHE 467 Ca -0.15 1.20 -0.05 0.00 -0.60 0.00 0.00 56.93 57.34 3ghm s PHE 467 Cb 0.01 -2.62 -0.00 0.00 0.51 0.00 0.00 43.02 40.92 3ghm s PHE 467 CO 0.71 -0.46 0.44 0.71 0.70 0.00 0.00 175.22 177.32 3ghm s TYR 468 N -2.87 0.89 -0.12 0.36 1.51 -1.26 -5.12 117.35 110.74 3ghm s TYR 468 Ca 0.54 -1.16 0.02 0.00 -1.01 0.00 0.00 57.07 55.47 3ghm s TYR 468 Cb -0.11 -0.06 -0.00 0.00 -0.11 0.00 0.00 41.96 41.68 3ghm s TYR 468 CO 0.44 -1.04 -0.20 -1.58 -1.11 0.00 0.00 175.55 172.06 3ghm s HIS 469 N -3.43 2.67 0.04 2.71 5.65 -1.26 -4.60 115.29 117.07 3ghm s HIS 469 Ca 0.29 -1.03 0.04 0.00 0.25 0.00 0.00 55.06 54.61 3ghm s HIS 469 Cb 0.00 -1.79 -0.04 0.00 -1.18 0.00 0.00 32.58 29.58 3ghm s HIS 469 CO 0.16 -0.43 -0.02 -1.58 -0.65 0.00 0.00 174.74 172.22 3ghm s TRP 470 N 0.51 2.98 0.12 3.88 0.52 -1.26 -0.11 118.94 125.59 3ghm s TRP 470 Ca -0.13 -0.00 0.01 0.00 0.02 0.00 0.00 56.10 56.00 3ghm s TRP 470 Cb -0.17 -1.59 -0.00 0.00 -1.15 0.00 0.00 33.47 30.56 3ghm s TRP 470 CO 0.05 0.45 0.14 0.41 0.02 0.00 0.00 176.95 178.01 3ghm n GLY 471 N 1.07 3.22 3.73 0.98 0.00 -0.55 -3.33 105.19 110.31 3ghm n GLY 471 Ca -0.13 -1.61 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 3ghm n GLY 471 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ghm n ALA 472 N -2.17 1.68 0.39 4.61 0.00 -1.26 -1.27 120.51 122.48 3ghm n ALA 472 Ca -0.05 0.31 0.11 0.00 0.00 0.00 0.00 53.44 53.82 3ghm n ALA 472 Cb 0.22 -2.32 0.01 0.00 0.00 0.00 0.00 19.45 17.36 3ghm n ALA 472 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ghm n ALA 473 N 0.13 3.06 -1.73 0.00 0.00 -1.26 -4.41 120.51 116.30 3ghm n ALA 473 Ca 0.04 -0.35 -0.39 0.00 0.00 0.00 0.00 53.44 52.74 3ghm n ALA 473 Cb 0.39 -1.01 0.03 0.00 0.00 0.00 0.00 19.45 18.86 3ghm n ALA 473 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3ghm n VAL 474 N -2.19 3.36 1.44 0.00 3.14 -1.26 -1.02 118.33 121.80 3ghm n VAL 474 Ca 0.01 -0.50 0.09 0.00 -2.96 0.00 0.00 64.34 60.98 3ghm n VAL 474 Cb 0.48 -1.64 0.37 0.00 -1.06 0.00 0.00 33.84 31.99 3ghm n VAL 474 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 3ghm n PRO 475 N -0.63 1.49 -0.03 1.45 -0.04 -1.26 -4.84 135.00 131.13 3ghm n PRO 475 Ca 0.09 -0.75 -0.11 0.00 -0.04 0.00 0.00 63.50 62.69 3ghm n PRO 475 Cb 0.43 -1.33 0.03 0.00 -0.04 0.00 0.00 33.50 32.59 3ghm n PRO 475 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3ghm h HIS 476 N 1.45 0.85 -3.05 0.54 3.86 -1.49 -3.42 115.15 113.90 3ghm h HIS 476 Ca 0.00 -0.29 -0.64 0.00 -1.16 0.00 0.00 60.37 58.28 3ghm h HIS 476 Cb 0.32 -0.16 -0.11 0.00 1.06 0.00 0.00 27.41 28.51 3ghm h HIS 476 CO 0.09 1.06 -0.52 0.45 0.86 0.00 0.00 177.93 179.86 3ghm s SER 477 N -6.91 6.01 0.15 2.45 0.15 -0.96 -5.09 113.70 109.50 3ghm s SER 477 Ca -0.09 0.27 0.03 0.00 0.70 0.00 0.00 55.95 56.87 3ghm s SER 477 Cb 0.11 -1.97 -0.01 0.00 -1.71 0.00 0.00 66.02 62.44 3ghm s SER 477 CO 0.86 0.29 0.14 0.00 1.20 0.00 0.00 173.24 175.73 3ghm n GLN 478 N 2.77 0.20 0.00 5.44 6.02 -1.26 -4.17 117.38 126.38 3ghm n GLN 478 Ca -0.18 -1.46 0.00 0.00 -0.01 0.00 0.00 57.00 55.35 3ghm n GLN 478 Cb 0.53 1.23 0.00 0.00 1.02 0.00 0.00 30.24 33.02 3ghm n GLN 478 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ghm n GLY 479 N -0.28 0.95 0.24 1.08 0.00 0.90 -0.97 105.19 107.12 3ghm n GLY 479 Ca 0.03 -0.56 0.09 0.00 0.00 0.00 0.00 46.02 45.57 3ghm n GLY 479 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3ghm h ASP 480 N 1.75 0.00 -0.90 1.61 5.19 -1.89 -2.37 116.42 119.82 3ghm h ASP 480 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3ghm h ASP 480 Cb 0.00 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.47 3ghm h ASP 480 CO 0.00 0.18 0.58 0.00 -3.12 0.00 0.00 179.24 176.88 3ghm h ALA 481 N 1.82 1.15 0.18 3.45 0.00 -1.83 -2.56 119.26 121.47 3ghm h ALA 481 Ca -0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3ghm h ALA 481 Cb 0.39 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3ghm h ALA 481 CO 0.02 0.57 -0.09 1.25 0.00 0.00 0.00 179.25 181.01 3ghm h LEU 482 N 1.23 -0.20 -1.66 0.00 5.85 -0.50 -2.57 115.31 117.46 3ghm h LEU 482 Ca 0.33 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3ghm h LEU 482 Cb -0.11 0.05 0.00 0.00 0.37 0.00 0.00 40.66 40.97 3ghm h LEU 482 CO -0.07 0.06 0.15 0.00 -0.34 0.00 0.00 178.44 178.24 3ghm n ARG 484 N -2.46 0.56 -3.20 0.00 5.12 -0.97 -1.76 116.66 113.96 3ghm n ARG 484 Ca -0.02 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.75 3ghm n ARG 484 Cb 0.19 -1.19 0.06 0.00 -1.16 0.00 0.00 32.46 30.35 3ghm n ARG 484 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 3ghm n HIS 485 N -0.00 -1.88 -2.74 -1.55 -0.00 -0.36 -4.42 115.22 104.27 3ghm n HIS 485 Ca 0.00 0.68 -0.42 0.00 -0.00 0.00 0.00 57.72 57.98 3ghm n HIS 485 Cb 0.10 -3.79 -0.03 0.00 -0.00 0.00 0.00 29.99 26.27 3ghm n HIS 485 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 3ghm s MET 486 N -5.73 4.38 0.34 1.57 -1.94 -0.88 -1.42 119.30 115.61 3ghm s MET 486 Ca 0.33 1.29 0.08 0.00 -1.71 0.00 0.00 55.69 55.69 3ghm s MET 486 Cb -0.15 -3.56 -0.07 0.00 2.01 0.00 0.00 34.83 33.07 3ghm s MET 486 CO 0.49 -0.34 -0.06 0.00 -0.01 0.00 0.00 175.02 175.10 3ghm s ARG 488 N -3.67 2.57 -0.72 0.00 3.52 -0.40 -0.96 118.95 119.29 3ghm s ARG 488 Ca 0.32 -0.66 -0.24 0.00 -0.13 0.00 0.00 55.73 55.02 3ghm s ARG 488 Cb 0.04 -2.46 0.06 0.00 -1.56 0.00 0.00 34.95 31.03 3ghm s ARG 488 CO 0.16 0.63 1.12 0.00 -0.81 0.00 0.00 175.30 176.39 3ghm s ALA 489 N -0.81 2.97 0.13 6.12 0.00 -0.55 -1.48 121.76 128.13 3ghm s ALA 489 Ca 0.13 -1.73 -0.34 0.00 0.00 0.00 0.00 51.96 50.02 3ghm s ALA 489 Cb -0.11 -4.05 -0.17 0.00 0.00 0.00 0.00 23.12 18.79 3ghm s ALA 489 CO 0.02 -3.02 0.98 -0.89 0.00 0.00 0.00 175.76 172.85 3ghm n ILE 490 N 6.12 0.88 0.00 0.00 5.41 0.85 0.81 119.36 133.44 3ghm n ILE 490 Ca 0.02 -0.22 0.00 0.00 1.00 0.00 0.00 62.75 63.55 3ghm n ILE 490 Cb 0.47 -0.39 0.00 0.00 -0.71 0.00 0.00 39.64 39.01 3ghm n ILE 490 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3ghm n GLY 491 N 1.86 2.94 3.90 7.39 0.00 -1.26 -4.69 105.19 115.33 3ghm n GLY 491 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 3ghm n GLY 491 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ghm s GLU 492 N -0.24 2.27 -0.25 1.61 0.41 0.24 -5.03 118.70 117.72 3ghm s GLU 492 Ca 0.00 -1.96 0.11 0.00 -0.41 0.00 0.00 54.97 52.71 3ghm s GLU 492 Cb 0.00 -2.15 0.47 0.00 -1.78 0.00 0.00 34.13 30.68 3ghm s GLU 492 CO 0.00 -0.59 1.38 -1.13 -0.49 0.00 0.00 175.26 174.43 3ghm n SER 493 N -1.76 2.44 -4.82 -0.19 3.41 -1.26 -4.71 113.62 106.72 3ghm n SER 493 Ca -0.00 -3.67 -0.37 0.00 -0.26 0.00 0.00 58.87 54.57 3ghm n SER 493 Cb 0.64 -0.59 -0.06 0.00 -0.26 0.00 0.00 64.21 63.94 3ghm n SER 493 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3ghm s PHE 494 N -3.17 3.61 -0.25 7.33 2.99 -1.26 -5.01 117.98 122.22 3ghm s PHE 494 Ca 0.42 0.71 -0.00 0.00 0.00 0.00 0.00 56.93 58.06 3ghm s PHE 494 Cb 0.38 -2.18 0.07 0.00 0.00 0.00 0.00 43.02 41.30 3ghm s PHE 494 CO -0.01 0.57 0.01 0.42 -0.00 0.00 0.00 175.22 176.21 3ghm s ILE 495 N -0.63 1.17 0.08 0.64 -1.09 -1.26 -1.49 121.20 118.62 3ghm s ILE 495 Ca 0.18 -1.16 0.02 0.00 -2.23 0.00 0.00 60.65 57.47 3ghm s ILE 495 Cb -0.14 -1.62 -0.04 0.00 -1.58 0.00 0.00 42.46 39.08 3ghm s ILE 495 CO 0.07 -0.29 -0.08 -0.04 -1.23 0.00 0.00 174.94 173.37 3ghm s MET 496 N 1.53 0.76 0.17 2.79 -1.94 -0.13 -4.90 119.30 117.57 3ghm s MET 496 Ca -0.00 -1.13 -0.30 0.00 -1.71 0.00 0.00 55.69 52.55 3ghm s MET 496 Cb -0.18 -0.34 -0.08 0.00 2.01 0.00 0.00 34.83 36.24 3ghm s MET 496 CO -0.11 0.03 1.27 0.21 -0.01 0.00 0.00 175.02 176.41 3ghm s LYS 497 N -2.91 4.42 -0.11 2.03 2.20 -1.26 -0.57 119.74 123.55 3ghm s LYS 497 Ca 0.04 1.96 0.16 0.00 -0.36 0.00 0.00 55.97 57.77 3ghm s LYS 497 Cb -0.01 -3.23 0.24 0.00 -1.51 0.00 0.00 37.83 33.31 3ghm s LYS 497 CO -0.02 -0.22 1.12 0.54 -0.36 0.00 0.00 175.35 176.41 3ghm n ARG 498 N 2.92 1.37 0.00 4.03 5.12 -0.51 -4.91 116.66 124.68 3ghm n ARG 498 Ca 0.07 -2.34 0.00 0.00 -1.93 0.00 0.00 57.85 53.64 3ghm n ARG 498 Cb 0.44 -1.37 0.00 0.00 -1.16 0.00 0.00 32.46 30.36 3ghm n ARG 498 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ghm n GLY 499 N -1.23 -0.98 0.46 -0.13 0.00 -1.26 -4.96 105.19 97.09 3ghm n GLY 499 Ca 0.13 -1.20 -0.18 0.00 0.00 0.00 0.00 46.02 44.77 3ghm n GLY 499 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3ghm h ASP 500 N 0.00 -1.17 -4.26 1.61 2.03 -1.93 -3.42 116.42 109.29 3ghm h ASP 500 Ca 0.00 0.08 0.27 0.00 -0.73 0.00 0.00 57.03 56.65 3ghm h ASP 500 Cb 0.00 0.37 -0.19 0.00 -0.83 0.00 0.00 39.33 38.68 3ghm h ASP 500 CO 0.00 -0.64 0.84 -0.94 -1.03 0.00 0.00 179.24 177.47 3ghm s SER 501 N -4.37 -0.11 0.50 4.15 1.04 -1.26 -4.41 113.70 109.24 3ghm s SER 501 Ca -0.18 -0.00 -0.22 0.00 0.48 0.00 0.00 55.95 56.03 3ghm s SER 501 Cb 0.04 0.12 -0.06 0.00 0.10 0.00 0.00 66.02 66.22 3ghm s SER 501 CO 0.61 -0.20 1.18 -0.36 0.98 0.00 0.00 173.24 175.45 3ghm s PHE 502 N -2.36 2.72 0.58 5.02 0.40 -0.72 -4.78 117.98 118.85 3ghm s PHE 502 Ca 0.10 1.52 -0.19 0.00 -0.60 0.00 0.00 56.93 57.76 3ghm s PHE 502 Cb -0.01 -3.41 -0.06 0.00 0.51 0.00 0.00 43.02 40.05 3ghm s PHE 502 CO -0.04 -1.73 0.83 1.28 0.70 0.00 0.00 175.22 176.26 3ghm n LEU 503 N -0.83 2.72 -4.76 -0.37 4.77 -1.26 -4.62 117.00 112.64 3ghm n LEU 503 Ca 0.09 0.80 -0.41 0.00 -0.03 0.00 0.00 56.01 56.46 3ghm n LEU 503 Cb 0.49 -1.32 -0.02 0.00 -2.33 0.00 0.00 43.42 40.24 3ghm n LEU 503 CO 0.47 -2.22 1.05 -1.81 -1.33 0.00 0.00 177.39 173.54 3ghm s ASP 504 N -1.20 6.65 0.00 -1.43 1.11 -1.26 -2.65 116.67 117.89 3ghm s ASP 504 Ca 0.73 2.76 0.00 0.00 0.18 0.00 0.00 52.55 56.22 3ghm s ASP 504 Cb -0.43 -2.65 0.00 0.00 1.07 0.00 0.00 42.92 40.91 3ghm s ASP 504 CO 0.50 -0.65 0.00 0.61 1.18 0.00 0.00 175.17 176.81 3ghm n GLY 505 N 1.10 2.11 3.68 0.21 0.00 -0.79 -4.41 105.19 107.09 3ghm n GLY 505 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 3ghm n GLY 505 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ghm n THR 506 N -0.33 0.49 -1.81 2.61 -2.24 -1.08 -4.67 114.28 107.24 3ghm n THR 506 Ca 0.00 -0.09 -0.41 0.00 -2.27 0.00 0.00 64.05 61.28 3ghm n THR 506 Cb 0.00 -2.11 -0.01 0.00 -2.10 0.00 0.00 70.33 66.11 3ghm n THR 506 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3ghm s ARG 507 N 3.29 4.13 0.22 -0.78 1.81 -1.26 -1.29 118.95 125.06 3ghm s ARG 507 Ca 0.85 2.55 0.08 0.00 -1.72 0.00 0.00 55.73 57.50 3ghm s ARG 507 Cb -0.51 -3.02 -0.04 0.00 -0.45 0.00 0.00 34.95 30.93 3ghm s ARG 507 CO 0.41 -0.59 -0.00 0.00 -0.68 0.00 0.00 175.30 174.44 3ghm s MET 509 N -3.27 3.04 0.19 0.00 1.75 -1.26 -4.60 119.30 115.14 3ghm s MET 509 Ca 0.29 -1.29 -0.33 0.00 -1.25 0.00 0.00 55.69 53.11 3ghm s MET 509 Cb -0.08 -4.19 -0.13 0.00 2.84 0.00 0.00 34.83 33.27 3ghm s MET 509 CO 0.19 -1.26 1.61 -0.35 -0.65 0.00 0.00 175.02 174.56 3ghm n PRO 510 N 5.75 2.36 0.00 4.11 -0.04 -1.26 -0.07 135.00 145.85 3ghm n PRO 510 Ca -0.10 0.85 0.07 0.00 -0.04 0.00 0.00 63.50 64.28 3ghm n PRO 510 Cb 0.43 -2.64 0.44 0.00 -0.04 0.00 0.00 33.50 31.70 3ghm n PRO 510 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3ghm n SER 511 N 3.43 0.00 -3.25 3.54 3.41 -1.26 -4.61 113.62 114.88 3ghm n SER 511 Ca 0.16 -0.56 -0.14 0.00 -0.26 0.00 0.00 58.87 58.06 3ghm n SER 511 Cb 0.31 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.22 3ghm n SER 511 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3ghm s GLY 512 N -1.95 1.43 0.57 5.00 0.00 -1.26 -4.96 107.32 106.15 3ghm s GLY 512 Ca 0.22 -1.47 -0.18 0.00 0.00 0.00 0.00 44.72 43.29 3ghm s GLY 512 CO 0.17 -0.96 1.09 2.56 0.00 0.00 0.00 173.10 175.96 3ghm s PRO 513 N -3.04 3.31 -0.02 2.90 0.04 -1.26 -5.07 135.00 131.86 3ghm s PRO 513 Ca 0.30 1.42 0.01 0.00 0.04 0.00 0.00 61.00 62.76 3ghm s PRO 513 Cb -0.01 -2.02 0.02 0.00 0.04 0.00 0.00 34.50 32.53 3ghm s PRO 513 CO 0.20 -0.85 -0.01 1.03 0.04 0.00 0.00 177.00 177.41 3ghm s ARG 514 N -3.63 0.29 0.52 4.56 1.81 -1.26 -5.13 118.95 116.10 3ghm s ARG 514 Ca 0.68 0.01 -0.21 0.00 -1.72 0.00 0.00 55.73 54.49 3ghm s ARG 514 Cb -0.20 -0.39 -0.08 0.00 -0.45 0.00 0.00 34.95 33.83 3ghm s ARG 514 CO 0.31 -0.06 0.89 0.39 -0.68 0.00 0.00 175.30 176.14 3ghm n GLU 515 N 3.72 1.00 -1.71 3.54 1.02 -1.26 -4.85 120.64 122.10 3ghm n GLU 515 Ca -0.22 0.37 -0.42 0.00 -0.02 0.00 0.00 57.16 56.87 3ghm n GLU 515 Cb 0.53 -2.01 -0.03 0.00 -0.02 0.00 0.00 31.44 29.92 3ghm n GLU 515 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3ghm s ASP 516 N -1.01 6.41 0.00 1.62 2.15 -1.26 -2.58 116.67 122.00 3ghm s ASP 516 Ca 0.69 2.78 0.00 0.00 0.43 0.00 0.00 52.55 56.45 3ghm s ASP 516 Cb -0.48 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.56 3ghm s ASP 516 CO 0.53 -1.01 0.00 0.61 -0.17 0.00 0.00 175.17 175.13 3ghm n GLY 517 N 4.21 1.86 3.91 2.66 0.00 -1.26 -1.66 105.19 114.91 3ghm n GLY 517 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 3ghm n GLY 517 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ghm s THR 518 N -1.93 2.54 0.08 2.61 -4.23 -1.07 -4.10 115.64 109.54 3ghm s THR 518 Ca 0.00 -0.01 0.04 0.00 -1.18 0.00 0.00 61.69 60.54 3ghm s THR 518 Cb 0.00 -3.14 -0.03 0.00 1.34 0.00 0.00 72.50 70.67 3ghm s THR 518 CO 0.00 -0.16 -0.11 -0.76 -0.54 0.00 0.00 174.62 173.04 3ghm s LEU 519 N -5.36 2.33 -0.27 4.79 1.43 -0.33 -4.96 118.68 116.32 3ghm s LEU 519 Ca 0.60 -0.70 -0.01 0.00 -1.03 0.00 0.00 54.13 52.99 3ghm s LEU 519 Cb -0.11 -0.36 0.04 0.00 0.03 0.00 0.00 46.19 45.78 3ghm s LEU 519 CO 0.48 -0.18 -0.04 -0.44 0.23 0.00 0.00 176.35 176.40 3ghm s SER 520 N -2.04 4.58 0.13 2.29 0.01 -1.26 -0.14 113.70 117.26 3ghm s SER 520 Ca 0.00 -1.07 0.10 0.00 1.31 0.00 0.00 55.95 56.29 3ghm s SER 520 Cb -0.07 -1.68 -0.04 0.00 0.21 0.00 0.00 66.02 64.44 3ghm s SER 520 CO 0.01 -0.19 -0.24 -0.76 0.41 0.00 0.00 173.24 172.47 3ghm s LEU 521 N 1.28 2.32 -0.15 2.44 1.02 0.10 0.14 118.68 125.84 3ghm s LEU 521 Ca -0.03 -0.74 -0.29 0.00 0.02 0.00 0.00 54.13 53.09 3ghm s LEU 521 Cb -0.18 -1.07 -0.01 0.00 0.02 0.00 0.00 46.19 44.95 3ghm s LEU 521 CO -0.03 0.12 1.08 0.00 0.02 0.00 0.00 176.35 177.54 3ghm s VAL 523 N 2.65 0.97 -1.16 0.00 1.01 0.29 -1.89 120.40 122.28 3ghm s VAL 523 Ca 0.49 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 3ghm s VAL 523 Cb -0.19 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 3ghm s VAL 523 CO 0.14 -0.30 0.94 0.18 0.00 0.00 0.00 175.10 176.06 3ghm n LEU 524 N 4.86 -4.47 0.00 3.92 4.77 -1.26 -1.99 117.00 122.83 3ghm n LEU 524 Ca -0.08 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 3ghm n LEU 524 Cb 0.45 -3.10 0.00 0.00 -2.33 0.00 0.00 43.42 38.43 3ghm n LEU 524 CO 0.14 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 3ghm n GLY 525 N -1.21 0.19 3.24 -0.72 0.00 -1.26 -4.97 105.19 100.45 3ghm n GLY 525 Ca -0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 3ghm n GLY 525 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ghm s SER 526 N -2.06 2.51 -0.39 1.61 0.01 -0.84 -4.07 113.70 110.47 3ghm s SER 526 Ca 0.00 -0.42 -0.29 0.00 1.31 0.00 0.00 55.95 56.55 3ghm s SER 526 Cb 0.00 -0.26 0.02 0.00 0.21 0.00 0.00 66.02 65.99 3ghm s SER 526 CO 0.00 0.24 1.13 0.00 0.41 0.00 0.00 173.24 175.02 3ghm s ARG 528 N 4.06 2.28 -0.19 0.00 1.81 0.14 -4.86 118.95 122.19 3ghm s ARG 528 Ca 0.48 -1.30 -0.09 0.00 -1.72 0.00 0.00 55.73 53.10 3ghm s ARG 528 Cb -0.10 -2.21 -0.05 0.00 -0.45 0.00 0.00 34.95 32.14 3ghm s ARG 528 CO 0.23 0.40 0.09 0.99 -0.68 0.00 0.00 175.30 176.34 3ghm s THR 529 N -2.04 5.09 -0.14 0.02 2.01 -1.26 -0.72 115.64 118.59 3ghm s THR 529 Ca 0.29 0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.37 3ghm s THR 529 Cb -0.08 -3.31 -0.00 0.00 0.01 0.00 0.00 72.50 69.13 3ghm s THR 529 CO 0.19 0.45 -0.17 -0.36 -0.69 0.00 0.00 174.62 174.03 3ghm s PHE 530 N 0.36 2.74 1.06 4.92 0.40 0.80 0.22 117.98 128.48 3ghm s PHE 530 Ca 0.05 -1.06 -0.14 0.00 -0.60 0.00 0.00 56.93 55.18 3ghm s PHE 530 Cb -0.12 -1.85 0.22 0.00 0.51 0.00 0.00 43.02 41.78 3ghm s PHE 530 CO -0.01 -0.47 1.09 0.20 0.70 0.00 0.00 175.22 176.73 3ghm s GLY 531 N 0.72 1.56 0.33 4.36 0.00 -1.06 -1.18 107.32 112.06 3ghm s GLY 531 Ca -0.08 -0.50 0.12 0.00 0.00 0.00 0.00 44.72 44.26 3ghm s GLY 531 CO 0.01 0.18 1.70 0.00 0.00 0.00 0.00 173.10 175.00 3ghm h ASP 533 N 0.46 0.00 0.00 0.00 3.04 -1.90 -3.46 116.42 114.57 3ghm h ASP 533 Ca 0.68 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.47 3ghm h ASP 533 Cb 1.44 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.73 3ghm h ASP 533 CO -0.51 0.01 0.00 0.61 -2.04 0.00 0.00 179.24 177.30 3ghm n GLY 534 N -0.67 0.53 3.59 7.15 0.00 0.96 -4.91 105.19 111.86 3ghm n GLY 534 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3ghm n GLY 534 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ghm s ARG 535 N -0.88 3.93 0.26 1.61 0.52 -1.26 -1.68 118.95 121.46 3ghm s ARG 535 Ca 0.00 0.02 -0.29 0.00 -0.52 0.00 0.00 55.73 54.94 3ghm s ARG 535 Cb 0.00 -3.69 -0.14 0.00 0.52 0.00 0.00 34.95 31.64 3ghm s ARG 535 CO 0.00 -0.37 1.12 -0.12 0.02 0.00 0.00 175.30 175.95 3ghm n MET 536 N 5.44 1.48 -1.33 3.54 0.00 -0.67 -1.90 117.12 123.67 3ghm n MET 536 Ca -0.07 0.52 -0.12 0.00 -0.00 0.00 0.00 57.70 58.03 3ghm n MET 536 Cb 0.50 -1.97 -0.05 0.00 0.00 0.00 0.00 33.22 31.70 3ghm n MET 536 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 3ghm n ASP 537 N 1.45 -3.48 0.00 6.12 10.43 0.13 -4.80 116.55 126.41 3ghm n ASP 537 Ca 0.10 0.30 0.06 0.00 2.57 0.00 0.00 54.79 57.83 3ghm n ASP 537 Cb 0.31 -3.18 0.34 0.00 1.84 0.00 0.00 41.12 40.43 3ghm n ASP 537 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 3ghm n SER 538 N -0.43 0.00 0.00 -2.24 3.41 -0.80 -4.81 113.62 108.75 3ghm n SER 538 Ca -0.12 -0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 3ghm n SER 538 Cb 0.42 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 3ghm n SER 538 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ghm n GLN 539 N -1.12 -0.27 -2.23 4.33 6.02 -1.26 -4.90 117.38 117.94 3ghm n GLN 539 Ca 0.08 0.05 -0.39 0.00 -0.01 0.00 0.00 57.00 56.73 3ghm n GLN 539 Cb 0.07 -3.78 -0.02 0.00 1.02 0.00 0.00 30.24 27.53 3ghm n GLN 539 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 3ghm s GLN 540 N -0.87 4.08 0.17 -1.09 2.00 -1.26 -5.03 119.66 117.66 3ghm s GLN 540 Ca 0.00 1.94 0.01 0.00 -2.00 0.00 0.00 55.36 55.31 3ghm s GLN 540 Cb 0.00 -2.75 -0.05 0.00 0.80 0.00 0.00 33.01 31.02 3ghm s GLN 540 CO 0.00 -0.32 0.02 0.08 -0.50 0.00 0.00 175.29 174.57 3ghm s VAL 541 N -1.35 0.55 0.36 1.34 1.01 -1.26 -3.41 120.40 117.64 3ghm s VAL 541 Ca 0.56 -1.97 -0.18 0.00 0.00 0.00 0.00 61.98 60.39 3ghm s VAL 541 Cb -0.33 -2.17 -0.10 0.00 0.00 0.00 0.00 36.38 33.79 3ghm s VAL 541 CO 0.42 -0.41 0.82 0.26 0.00 0.00 0.00 175.10 176.19 3ghm s TRP 542 N -3.75 3.36 0.67 5.22 0.52 -0.67 -3.11 118.94 121.18 3ghm s TRP 542 Ca 0.26 1.38 -0.04 0.00 0.02 0.00 0.00 56.10 57.72 3ghm s TRP 542 Cb 0.07 -2.66 0.07 0.00 -1.15 0.00 0.00 33.47 29.79 3ghm s TRP 542 CO 0.05 0.02 0.95 0.34 0.02 0.00 0.00 176.95 178.33 3ghm s ASP 543 N -2.21 4.83 0.49 2.95 2.15 0.42 -4.90 116.67 120.41 3ghm s ASP 543 Ca 0.57 0.20 0.24 0.00 0.43 0.00 0.00 52.55 53.99 3ghm s ASP 543 Cb -0.10 -0.86 1.27 0.00 -0.30 0.00 0.00 42.92 42.93 3ghm s ASP 543 CO 0.16 -1.54 2.01 0.08 -0.17 0.00 0.00 175.17 175.71 3ghm h ARG 544 N -0.42 0.00 -0.31 4.34 0.11 -1.91 0.97 114.38 117.16 3ghm h ARG 544 Ca -0.43 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.65 3ghm h ARG 544 Cb 1.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.38 3ghm h ARG 544 CO 0.54 0.17 0.00 0.00 0.10 0.00 0.00 179.97 180.78 3ghm n GLN 546 N 0.45 -2.53 -4.09 0.00 6.02 0.34 -4.95 117.38 112.62 3ghm n GLN 546 Ca 0.12 0.77 -0.30 0.00 -0.01 0.00 0.00 57.00 57.57 3ghm n GLN 546 Cb 0.29 -5.21 -0.07 0.00 1.02 0.00 0.00 30.24 26.27 3ghm n GLN 546 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3ghm s VAL 547 N -2.93 4.30 -0.05 5.09 1.01 -1.26 -4.74 120.40 121.82 3ghm s VAL 547 Ca 0.11 -0.85 -0.12 0.00 0.00 0.00 0.00 61.98 61.12 3ghm s VAL 547 Cb -0.05 -3.05 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 3ghm s VAL 547 CO 0.14 0.14 0.30 0.00 0.00 0.00 0.00 175.10 175.68 3ghm n GLY 549 N 1.96 0.59 3.82 0.00 0.00 -1.18 -4.93 105.19 105.45 3ghm n GLY 549 Ca -0.16 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 3ghm n GLY 549 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ghm s GLY 550 N -2.25 1.68 -0.35 -0.02 0.00 -1.24 -4.99 107.32 100.15 3ghm s GLY 550 Ca 0.00 0.11 0.06 0.00 0.00 0.00 0.00 44.72 44.89 3ghm s GLY 550 CO 0.00 0.42 1.37 2.09 0.00 0.00 0.00 173.10 176.98 3ghm n ASP 551 N -3.14 4.78 -1.06 1.64 5.75 -1.26 -4.75 116.55 118.51 3ghm n ASP 551 Ca 0.08 -3.78 -0.11 0.00 -0.01 0.00 0.00 54.79 50.97 3ghm n ASP 551 Cb 0.53 -0.50 -0.05 0.00 -1.03 0.00 0.00 41.12 40.07 3ghm n ASP 551 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3ghm n ASN 552 N -0.84 -4.15 0.08 -1.12 3.02 -1.26 -4.81 115.26 106.19 3ghm n ASN 552 Ca 0.44 0.28 -0.06 0.00 -0.03 0.00 0.00 54.58 55.20 3ghm n ASN 552 Cb 0.90 -3.44 -0.03 0.00 -0.61 0.00 0.00 39.78 36.59 3ghm n ASN 552 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 3ghm h SER 553 N 0.00 0.07 0.25 6.41 0.87 -2.01 -3.35 113.55 115.79 3ghm h SER 553 Ca -0.23 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 3ghm h SER 553 Cb 0.93 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 3ghm h SER 553 CO 0.34 0.93 -0.06 0.35 -0.53 0.00 0.00 176.83 177.86 3ghm n THR 554 N -3.52 0.00 -4.07 2.23 -2.24 -1.26 -4.88 114.28 100.54 3ghm n THR 554 Ca -0.01 -0.07 -0.15 0.00 -2.27 0.00 0.00 64.05 61.55 3ghm n THR 554 Cb 0.85 -0.14 -0.15 0.00 -2.10 0.00 0.00 70.33 68.79 3ghm n THR 554 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ghm s SER 556 N 0.09 6.07 0.91 0.00 1.04 -0.21 -4.84 113.70 116.76 3ghm s SER 556 Ca -0.01 0.14 -0.11 0.00 0.48 0.00 0.00 55.95 56.45 3ghm s SER 556 Cb -0.04 -2.08 0.14 0.00 0.10 0.00 0.00 66.02 64.15 3ghm s SER 556 CO -0.00 0.11 1.10 -2.16 0.98 0.00 0.00 173.24 173.27 3ghm s PRO 557 N 0.76 1.08 -0.01 4.02 0.04 -1.26 -2.46 135.00 137.17 3ghm s PRO 557 Ca 0.07 1.17 -0.09 0.00 0.04 0.00 0.00 61.00 62.20 3ghm s PRO 557 Cb -0.13 -1.76 0.01 0.00 0.04 0.00 0.00 34.50 32.66 3ghm s PRO 557 CO 0.02 -2.47 0.18 1.03 0.04 0.00 0.00 177.00 175.80 3ghm s ARG 558 N -4.75 0.51 0.08 4.56 1.81 -0.42 -4.89 118.95 115.84 3ghm s ARG 558 Ca 0.65 -0.32 0.03 0.00 -1.72 0.00 0.00 55.73 54.37 3ghm s ARG 558 Cb -0.21 0.22 -0.03 0.00 -0.45 0.00 0.00 34.95 34.48 3ghm s ARG 558 CO 0.58 -0.12 -0.10 0.15 -0.68 0.00 0.00 175.30 175.13 3ghm s LYS 559 N -1.29 0.76 0.17 3.54 1.02 -1.26 -2.64 119.74 120.05 3ghm s LYS 559 Ca -0.14 -1.05 -0.19 0.00 0.02 0.00 0.00 55.97 54.62 3ghm s LYS 559 Cb -0.07 -0.48 0.04 0.00 -0.52 0.00 0.00 37.83 36.81 3ghm s LYS 559 CO 0.02 0.08 0.53 0.20 -0.92 0.00 0.00 175.35 175.25 3ghm s GLY 560 N -2.19 -0.28 0.11 -3.33 0.00 0.06 -5.00 107.32 96.69 3ghm s GLY 560 Ca 0.01 0.01 -0.02 0.00 0.00 0.00 0.00 44.72 44.72 3ghm s GLY 560 CO -0.00 -0.15 0.06 -0.56 0.00 0.00 0.00 173.10 172.45 3ghm s SER 561 N -2.83 0.33 -0.24 1.64 0.01 -1.26 -1.29 113.70 110.06 3ghm s SER 561 Ca 0.06 -1.11 -0.13 0.00 1.31 0.00 0.00 55.95 56.08 3ghm s SER 561 Cb -0.01 0.28 0.07 0.00 0.21 0.00 0.00 66.02 66.58 3ghm s SER 561 CO -0.07 -0.71 0.58 0.12 0.41 0.00 0.00 173.24 173.57 3ghm s PHE 562 N -4.00 -0.90 0.00 2.43 2.19 -0.39 -4.98 117.98 112.32 3ghm s PHE 562 Ca 0.18 1.82 0.06 0.00 0.33 0.00 0.00 56.93 59.33 3ghm s PHE 562 Cb 0.07 0.50 0.11 0.00 -1.31 0.00 0.00 43.02 42.39 3ghm s PHE 562 CO -0.02 -0.46 1.03 2.41 1.83 0.00 0.00 175.22 180.01 3ghm n THR 563 N 4.34 0.00 -1.09 0.12 -1.04 -1.26 -2.28 114.28 113.08 3ghm n THR 563 Ca -0.21 -0.25 0.00 0.00 -2.04 0.00 0.00 64.05 61.55 3ghm n THR 563 Cb 0.57 0.62 0.00 0.00 -1.82 0.00 0.00 70.33 69.70 3ghm n THR 563 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ghm n ALA 564 N 0.12 0.00 0.00 2.41 0.00 -1.26 -4.50 120.51 117.28 3ghm n ALA 564 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3ghm n ALA 564 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.26 3ghm n ALA 564 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ghm n GLY 565 N 5.00 3.01 3.69 0.00 0.00 -1.26 -4.61 105.19 111.02 3ghm n GLY 565 Ca 0.00 -1.72 -0.37 0.00 0.00 0.00 0.00 46.02 43.93 3ghm n GLY 565 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ghm s ARG 566 N -4.14 4.16 0.24 1.61 0.52 -1.26 -4.88 118.95 115.20 3ghm s ARG 566 Ca 0.00 -0.02 -0.31 0.00 -0.52 0.00 0.00 55.73 54.88 3ghm s ARG 566 Cb 0.00 -3.50 -0.14 0.00 0.52 0.00 0.00 34.95 31.83 3ghm s ARG 566 CO 0.00 0.09 1.31 0.00 0.02 0.00 0.00 175.30 176.72 3ghm n ALA 567 N 4.12 0.58 -1.00 2.13 0.00 -1.25 -1.23 120.51 123.86 3ghm n ALA 567 Ca -0.12 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.74 3ghm n ALA 567 Cb 0.52 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.77 3ghm n ALA 567 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ghm n ARG 568 N 1.71 -0.93 -4.10 0.00 5.12 0.38 -4.97 116.66 113.87 3ghm n ARG 568 Ca 0.12 0.23 -0.14 0.00 -1.93 0.00 0.00 57.85 56.13 3ghm n ARG 568 Cb 0.30 -3.94 -0.11 0.00 -1.16 0.00 0.00 32.46 27.55 3ghm n ARG 568 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3ghm s GLU 569 N -0.94 0.64 -0.14 5.56 2.02 -0.36 -5.00 118.70 120.48 3ghm s GLU 569 Ca 0.00 -0.88 -0.21 0.00 0.02 0.00 0.00 54.97 53.89 3ghm s GLU 569 Cb 0.00 -0.42 -0.03 0.00 0.10 0.00 0.00 34.13 33.78 3ghm s GLU 569 CO 0.00 0.08 0.63 0.71 0.02 0.00 0.00 175.26 176.70 3ghm s TYR 570 N -1.63 3.46 -0.18 1.61 1.51 -1.26 -3.52 117.35 117.33 3ghm s TYR 570 Ca -0.05 1.03 0.01 0.00 -1.01 0.00 0.00 57.07 57.05 3ghm s TYR 570 Cb -0.08 -2.77 0.02 0.00 -0.11 0.00 0.00 41.96 39.02 3ghm s TYR 570 CO 0.00 -0.04 -0.19 0.08 -1.11 0.00 0.00 175.55 174.30 3ghm s VAL 571 N 1.36 2.03 0.16 0.71 1.01 0.30 -4.90 120.40 121.08 3ghm s VAL 571 Ca 0.31 -0.97 -0.31 0.00 0.00 0.00 0.00 61.98 61.01 3ghm s VAL 571 Cb -0.16 -1.86 -0.09 0.00 0.00 0.00 0.00 36.38 34.26 3ghm s VAL 571 CO 0.13 0.49 1.49 -0.89 0.00 0.00 0.00 175.10 176.31 3ghm s THR 572 N 1.29 2.85 0.00 3.92 2.01 -1.26 -0.98 115.64 123.47 3ghm s THR 572 Ca 0.04 0.63 0.00 0.00 0.31 0.00 0.00 61.69 62.67 3ghm s THR 572 Cb -0.14 -3.40 0.00 0.00 0.01 0.00 0.00 72.50 68.97 3ghm s THR 572 CO -0.12 0.06 0.43 2.22 -0.69 0.00 0.00 174.62 176.52 3ghm n PHE 573 N 3.70 0.00 -3.51 4.92 1.16 -0.53 -4.94 117.46 118.26 3ghm n PHE 573 Ca 0.12 -0.09 0.00 0.00 -1.87 0.00 0.00 57.45 55.62 3ghm n PHE 573 Cb 0.40 -0.01 -0.05 0.00 -1.61 0.00 0.00 39.48 38.21 3ghm n PHE 573 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 3ghm s LEU 574 N -0.17 -0.45 -0.36 5.98 2.96 -1.03 -5.03 118.68 120.58 3ghm s LEU 574 Ca 0.00 0.67 -0.07 0.00 -0.22 0.00 0.00 54.13 54.52 3ghm s LEU 574 Cb 0.00 1.59 0.05 0.00 0.50 0.00 0.00 46.19 48.33 3ghm s LEU 574 CO 0.00 -0.10 0.14 0.42 -1.32 0.00 0.00 176.35 175.49 3ghm s THR 575 N 1.80 3.83 -0.62 3.68 -4.23 -1.26 0.21 115.64 119.05 3ghm s THR 575 Ca -0.06 -1.27 -0.25 0.00 -1.18 0.00 0.00 61.69 58.94 3ghm s THR 575 Cb -0.04 -3.24 0.04 0.00 1.34 0.00 0.00 72.50 70.60 3ghm s THR 575 CO -0.15 -0.29 1.06 -0.69 -0.54 0.00 0.00 174.62 174.00 3ghm s VAL 576 N 1.38 4.18 0.59 2.29 1.01 1.00 -4.89 120.40 125.97 3ghm s VAL 576 Ca 0.00 0.27 -0.10 0.00 0.00 0.00 0.00 61.98 62.15 3ghm s VAL 576 Cb -0.21 -4.68 -0.04 0.00 0.00 0.00 0.00 36.38 31.46 3ghm s VAL 576 CO 0.02 -1.37 0.98 0.42 0.00 0.00 0.00 175.10 175.15 3ghm s THR 577 N 4.49 4.68 0.40 3.92 -4.23 -1.26 -1.49 115.64 122.15 3ghm s THR 577 Ca 0.32 0.71 0.12 0.00 -1.18 0.00 0.00 61.69 61.66 3ghm s THR 577 Cb -0.12 -3.85 0.34 0.00 1.34 0.00 0.00 72.50 70.21 3ghm s THR 577 CO 0.17 -1.06 1.91 -0.65 -0.54 0.00 0.00 174.62 174.45 3ghm h PRO 578 N -0.22 0.53 0.00 3.99 0.11 -1.85 -2.23 132.00 132.32 3ghm h PRO 578 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3ghm h PRO 578 Cb 1.20 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3ghm h PRO 578 CO 0.62 0.35 0.00 0.27 -0.21 0.00 0.00 178.00 179.03 3ghm n ASN 579 N -4.51 0.00 -4.86 -2.05 0.23 -1.26 -4.72 115.26 98.10 3ghm n ASN 579 Ca 0.15 -0.33 -0.37 0.00 -0.53 0.00 0.00 54.58 53.51 3ghm n ASN 579 Cb 0.48 -0.02 -0.06 0.00 -2.08 0.00 0.00 39.78 38.10 3ghm n ASN 579 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 3ghm s LEU 580 N -2.05 4.42 0.29 -4.53 1.43 -0.84 -4.33 118.68 113.06 3ghm s LEU 580 Ca 0.17 0.81 0.02 0.00 -1.03 0.00 0.00 54.13 54.11 3ghm s LEU 580 Cb 0.08 -2.66 -0.06 0.00 0.03 0.00 0.00 46.19 43.59 3ghm s LEU 580 CO 0.14 0.28 0.08 0.42 0.23 0.00 0.00 176.35 177.50 3ghm s THR 581 N -1.19 0.84 -1.56 5.49 -4.23 -1.04 -4.81 115.64 109.13 3ghm s THR 581 Ca 0.26 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.71 3ghm s THR 581 Cb -0.15 -2.70 0.06 0.00 1.34 0.00 0.00 72.50 71.05 3ghm s THR 581 CO 0.14 -0.01 0.37 -1.20 -0.54 0.00 0.00 174.62 173.38 3ghm n SER 582 N -0.56 -0.64 -4.67 3.99 7.64 -1.26 -1.43 113.62 116.69 3ghm n SER 582 Ca -0.01 -1.12 -0.43 0.00 1.01 0.00 0.00 58.87 58.32 3ghm n SER 582 Cb 0.66 -2.37 -0.02 0.00 -1.01 0.00 0.00 64.21 61.47 3ghm n SER 582 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3ghm s VAL 583 N -3.90 4.59 -0.01 0.44 1.01 -1.26 -4.03 120.40 117.24 3ghm s VAL 583 Ca 0.23 1.90 0.03 0.00 0.00 0.00 0.00 61.98 64.14 3ghm s VAL 583 Cb -0.13 -4.22 -0.00 0.00 0.00 0.00 0.00 36.38 32.02 3ghm s VAL 583 CO 0.95 -0.10 -0.09 -0.47 0.00 0.00 0.00 175.10 175.38 3ghm s TYR 584 N 2.82 0.89 -0.04 5.22 6.14 0.15 -2.74 117.35 129.79 3ghm s TYR 584 Ca 0.48 -0.19 -0.02 0.00 0.64 0.00 0.00 57.07 57.99 3ghm s TYR 584 Cb -0.18 -0.60 0.03 0.00 0.42 0.00 0.00 41.96 41.63 3ghm s TYR 584 CO 0.13 -0.04 0.09 0.42 0.64 0.00 0.00 175.55 176.78 3ghm s ILE 585 N -0.09 -0.03 0.00 3.14 1.01 -0.63 -0.32 121.20 124.28 3ghm s ILE 585 Ca 0.02 0.13 -0.02 0.00 0.00 0.00 0.00 60.65 60.77 3ghm s ILE 585 Cb -0.05 -0.15 -0.01 0.00 0.01 0.00 0.00 42.46 42.26 3ghm s ILE 585 CO -0.00 0.05 0.03 0.00 0.00 0.00 0.00 174.94 175.02 3ghm s ALA 586 N 0.75 -0.04 -0.19 9.38 0.00 0.42 -0.17 121.76 131.91 3ghm s ALA 586 Ca -0.06 -0.27 0.01 0.00 0.00 0.00 0.00 51.96 51.64 3ghm s ALA 586 Cb -0.08 0.07 0.04 0.00 0.00 0.00 0.00 23.12 23.15 3ghm s ALA 586 CO -0.03 -0.12 -0.11 1.21 0.00 0.00 0.00 175.76 176.70 3ghm s ASN 587 N -0.96 3.31 0.00 0.00 2.47 -0.18 -0.26 114.94 119.32 3ghm s ASN 587 Ca -0.11 -0.83 0.19 0.00 0.42 0.00 0.00 52.86 52.53 3ghm s ASN 587 Cb -0.06 -1.25 0.63 0.00 -1.45 0.00 0.00 41.25 39.12 3ghm s ASN 587 CO -0.00 -0.12 1.48 1.41 -3.72 0.00 0.00 177.10 176.14 3ghm n HIS 588 N 4.68 0.30 -3.16 0.43 8.25 0.70 -2.06 115.22 124.36 3ghm n HIS 588 Ca -0.15 -0.15 -0.20 0.00 -0.26 0.00 0.00 57.72 56.96 3ghm n HIS 588 Cb 0.47 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.54 3ghm n HIS 588 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 3ghm n ARG 589 N 0.46 0.84 -0.08 -0.41 0.63 -1.26 -4.90 116.66 111.94 3ghm n ARG 589 Ca 0.16 -3.19 0.04 0.00 -0.92 0.00 0.00 57.85 53.94 3ghm n ARG 589 Cb 0.35 -1.44 0.16 0.00 0.45 0.00 0.00 32.46 31.98 3ghm n ARG 589 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 3ghm n PRO 590 N 0.88 1.42 -0.17 -0.14 -0.04 -1.26 -4.11 135.00 131.58 3ghm n PRO 590 Ca 0.22 -0.65 -0.05 0.00 -0.04 0.00 0.00 63.50 62.97 3ghm n PRO 590 Cb 0.60 -1.19 0.13 0.00 -0.04 0.00 0.00 33.50 33.00 3ghm n PRO 590 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3ghm h LEU 591 N 1.11 0.88 -2.02 1.53 3.38 -1.91 -3.32 115.31 114.96 3ghm h LEU 591 Ca 0.00 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3ghm h LEU 591 Cb 0.25 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3ghm h LEU 591 CO 0.00 0.89 0.00 0.49 0.09 0.00 0.00 178.44 179.91 3ghm n PHE 592 N -4.23 0.00 -4.03 1.13 3.01 -1.26 -5.03 117.46 107.04 3ghm n PHE 592 Ca 0.04 -0.27 -0.08 0.00 1.01 0.00 0.00 57.45 58.15 3ghm n PHE 592 Cb 0.27 -0.03 -0.10 0.00 -0.01 0.00 0.00 39.48 39.61 3ghm n PHE 592 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3ghm s THR 593 N -0.54 0.18 0.16 4.37 -4.23 -1.25 -2.55 115.64 111.78 3ghm s THR 593 Ca 0.00 -1.51 -0.11 0.00 -1.18 0.00 0.00 61.69 58.88 3ghm s THR 593 Cb 0.00 -1.20 0.00 0.00 1.34 0.00 0.00 72.50 72.64 3ghm s THR 593 CO 0.00 -0.84 0.33 -1.38 -0.54 0.00 0.00 174.62 172.19 3ghm s HIS 594 N -3.31 0.21 0.15 3.99 -3.43 -0.86 -4.23 115.29 107.80 3ghm s HIS 594 Ca 0.01 -0.57 0.00 0.00 -0.80 0.00 0.00 55.06 53.70 3ghm s HIS 594 Cb 0.03 0.06 -0.04 0.00 -1.43 0.00 0.00 32.58 31.20 3ghm s HIS 594 CO -0.08 -0.73 0.31 -0.51 -2.00 0.00 0.00 174.74 171.73 3ghm s LEU 595 N -2.92 4.30 -0.02 5.38 1.43 -1.26 -0.34 118.68 125.24 3ghm s LEU 595 Ca 0.13 0.31 -0.03 0.00 -1.03 0.00 0.00 54.13 53.50 3ghm s LEU 595 Cb 0.03 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 43.20 3ghm s LEU 595 CO -0.03 0.04 0.09 0.00 0.23 0.00 0.00 176.35 176.68 3ghm s ALA 596 N -1.73 -0.21 -0.17 4.21 0.00 -0.07 -4.57 121.76 119.23 3ghm s ALA 596 Ca 0.37 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.45 3ghm s ALA 596 Cb -0.12 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 22.92 3ghm s ALA 596 CO 0.28 -0.08 -0.15 0.08 0.00 0.00 0.00 175.76 175.89 3ghm s VAL 597 N -0.31 2.57 -0.21 0.00 1.01 -0.82 -1.55 120.40 121.09 3ghm s VAL 597 Ca -0.04 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.17 3ghm s VAL 597 Cb -0.03 -2.09 0.03 0.00 0.00 0.00 0.00 36.38 34.29 3ghm s VAL 597 CO 0.00 0.51 -0.16 -0.60 0.00 0.00 0.00 175.10 174.85 3ghm s ARG 598 N 1.01 2.67 -0.04 2.72 3.52 -0.25 -0.54 118.95 128.04 3ghm s ARG 598 Ca -0.02 -0.99 0.06 0.00 -0.13 0.00 0.00 55.73 54.65 3ghm s ARG 598 Cb -0.15 -2.65 -0.01 0.00 -1.56 0.00 0.00 34.95 30.58 3ghm s ARG 598 CO -0.03 -0.34 -0.23 0.42 -0.81 0.00 0.00 175.30 174.31 3ghm s ILE 599 N 1.24 1.84 -1.44 4.11 1.01 0.15 -0.21 121.20 127.90 3ghm s ILE 599 Ca 0.00 -0.97 -0.06 0.00 0.00 0.00 0.00 60.65 59.62 3ghm s ILE 599 Cb -0.15 -1.55 0.03 0.00 0.01 0.00 0.00 42.46 40.79 3ghm s ILE 599 CO -0.10 0.52 0.49 0.61 0.00 0.00 0.00 174.94 176.46 3ghm n GLY 600 N 2.81 -0.51 2.17 6.18 0.00 -1.26 -1.70 105.19 112.88 3ghm n GLY 600 Ca -0.17 0.10 -0.07 0.00 0.00 0.00 0.00 46.02 45.88 3ghm n GLY 600 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ghm n GLY 601 N -1.32 0.43 3.22 -0.02 0.00 -1.26 -5.03 105.19 101.20 3ghm n GLY 601 Ca -0.09 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.18 3ghm n GLY 601 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ghm s ARG 602 N -3.64 0.77 -0.12 1.61 1.70 -0.69 -5.15 118.95 113.43 3ghm s ARG 602 Ca 0.00 -0.59 -0.18 0.00 -0.47 0.00 0.00 55.73 54.50 3ghm s ARG 602 Cb 0.00 0.33 -0.04 0.00 -0.57 0.00 0.00 34.95 34.66 3ghm s ARG 602 CO 0.00 -0.24 0.45 0.71 -1.08 0.00 0.00 175.30 175.14 3ghm s TYR 603 N -2.66 3.51 -0.43 5.89 1.51 -1.26 0.31 117.35 124.22 3ghm s TYR 603 Ca -0.04 0.85 0.09 0.00 -1.01 0.00 0.00 57.07 56.96 3ghm s TYR 603 Cb -0.01 -2.52 -0.10 0.00 -0.11 0.00 0.00 41.96 39.22 3ghm s TYR 603 CO -0.04 0.18 0.39 1.33 -1.11 0.00 0.00 175.55 176.30 3ghm n VAL 604 N 3.64 0.00 -3.70 0.71 0.24 0.30 -4.92 118.33 114.61 3ghm n VAL 604 Ca -0.08 -0.28 -0.17 0.00 -2.04 0.00 0.00 64.34 61.77 3ghm n VAL 604 Cb 0.52 0.99 -0.16 0.00 -1.47 0.00 0.00 33.84 33.72 3ghm n VAL 604 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3ghm s VAL 605 N -1.87 -0.14 0.00 3.34 1.01 -1.06 -4.89 120.40 116.79 3ghm s VAL 605 Ca 0.03 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.34 3ghm s VAL 605 Cb 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 36.38 36.25 3ghm s VAL 605 CO 0.38 0.14 0.00 0.00 0.00 0.00 0.00 175.10 175.62 3ghm n ALA 606 N 4.94 0.00 0.00 5.51 0.00 -1.26 -1.95 120.51 127.75 3ghm n ALA 606 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3ghm n ALA 606 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 3ghm n ALA 606 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ghm n GLY 607 N 0.00 0.44 1.26 0.00 0.00 -1.26 -4.86 105.19 100.76 3ghm n GLY 607 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3ghm n GLY 607 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ghm n LYS 608 N -1.73 2.43 -0.79 1.61 4.76 -1.26 -4.95 118.16 118.23 3ghm n LYS 608 Ca 0.00 -3.63 0.00 0.00 -2.87 0.00 0.00 58.31 51.81 3ghm n LYS 608 Cb 0.00 -1.92 0.00 0.00 -1.84 0.00 0.00 35.03 31.27 3ghm n LYS 608 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 3ghm n MET 609 N -0.96 -1.09 -4.34 1.97 2.81 -1.26 -4.95 117.12 109.30 3ghm n MET 609 Ca 0.31 0.27 -0.26 0.00 -1.81 0.00 0.00 57.70 56.22 3ghm n MET 609 Cb 0.84 -4.71 -0.13 0.00 -0.71 0.00 0.00 33.22 28.52 3ghm n MET 609 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3ghm s SER 610 N -2.02 2.94 0.30 7.83 1.04 -1.26 -5.07 113.70 117.47 3ghm s SER 610 Ca 0.00 -0.74 -0.29 0.00 0.48 0.00 0.00 55.95 55.40 3ghm s SER 610 Cb 0.00 -0.18 -0.10 0.00 0.10 0.00 0.00 66.02 65.83 3ghm s SER 610 CO 0.00 0.11 1.39 -0.51 0.98 0.00 0.00 173.24 175.20 3ghm s ILE 611 N -1.22 2.61 0.27 -1.02 2.07 -1.26 -4.60 121.20 118.05 3ghm s ILE 611 Ca 0.11 0.56 -0.10 0.00 -1.41 0.00 0.00 60.65 59.82 3ghm s ILE 611 Cb -0.10 -3.36 -0.07 0.00 0.13 0.00 0.00 42.46 39.06 3ghm s ILE 611 CO 0.06 0.12 0.61 -0.55 -1.91 0.00 0.00 174.94 173.26 3ghm s SER 612 N -0.07 6.61 0.84 4.50 0.15 -1.26 -5.01 113.70 119.46 3ghm s SER 612 Ca 0.54 0.98 -0.12 0.00 0.70 0.00 0.00 55.95 58.04 3ghm s SER 612 Cb -0.42 -2.25 0.12 0.00 -1.71 0.00 0.00 66.02 61.76 3ghm s SER 612 CO 0.50 -0.15 1.19 -2.16 1.20 0.00 0.00 173.24 173.83 3ghm s PRO 613 N -3.06 1.55 0.23 5.44 0.04 -1.26 -4.92 135.00 133.03 3ghm s PRO 613 Ca 0.48 -0.17 -0.31 0.00 0.04 0.00 0.00 61.00 61.04 3ghm s PRO 613 Cb -0.11 -1.97 -0.14 0.00 0.04 0.00 0.00 34.50 32.33 3ghm s PRO 613 CO 0.23 -1.81 1.32 0.09 0.04 0.00 0.00 177.00 176.87 3ghm n ASN 614 N -3.38 2.34 -3.69 6.66 3.02 -1.26 -4.94 115.26 114.01 3ghm n ASN 614 Ca 0.11 1.15 -0.14 0.00 -0.03 0.00 0.00 54.58 55.66 3ghm n ASN 614 Cb 0.60 -1.37 -0.09 0.00 -0.61 0.00 0.00 39.78 38.31 3ghm n ASN 614 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3ghm s THR 615 N -0.21 0.01 -0.11 3.41 -1.32 -0.94 -5.05 115.64 111.43 3ghm s THR 615 Ca 0.68 -0.09 0.02 0.00 -1.21 0.00 0.00 61.69 61.09 3ghm s THR 615 Cb -0.69 -0.73 0.01 0.00 -1.51 0.00 0.00 72.50 69.58 3ghm s THR 615 CO 0.52 -0.05 -0.17 -0.89 -2.21 0.00 0.00 174.62 171.82 3ghm s THR 616 N -0.24 1.62 -0.06 5.08 2.01 -1.26 -1.80 115.64 120.98 3ghm s THR 616 Ca -0.04 -0.72 0.06 0.00 0.31 0.00 0.00 61.69 61.30 3ghm s THR 616 Cb -0.03 -1.47 -0.01 0.00 0.01 0.00 0.00 72.50 71.00 3ghm s THR 616 CO 0.03 0.47 -0.24 -0.47 -0.69 0.00 0.00 174.62 173.71 3ghm s TYR 617 N 0.94 2.47 0.14 4.92 5.04 -0.62 -3.62 117.35 126.62 3ghm s TYR 617 Ca -0.07 -0.72 0.01 0.00 -2.44 0.00 0.00 57.07 53.85 3ghm s TYR 617 Cb -0.15 -1.62 -0.08 0.00 0.35 0.00 0.00 41.96 40.46 3ghm s TYR 617 CO -0.02 -0.22 1.32 -1.35 -1.34 0.00 0.00 175.55 173.95 3ghm h PRO 618 N 6.10 0.23 -3.42 4.97 0.11 -1.88 0.79 132.00 138.90 3ghm h PRO 618 Ca -0.31 -0.28 -0.02 0.00 0.11 0.00 0.00 66.00 65.50 3ghm h PRO 618 Cb 1.18 0.09 -0.09 0.00 0.11 0.00 0.00 31.00 32.29 3ghm h PRO 618 CO 0.47 1.02 -0.01 0.45 -0.21 0.00 0.00 178.00 179.72 3ghm s SER 619 N -6.97 -0.17 0.00 -2.05 0.15 -1.24 -5.01 113.70 98.41 3ghm s SER 619 Ca -0.03 -0.71 0.26 0.00 0.70 0.00 0.00 55.95 56.16 3ghm s SER 619 Cb 0.09 0.60 1.50 0.00 -1.71 0.00 0.00 66.02 66.50 3ghm s SER 619 CO 0.84 -1.13 1.88 -0.11 1.20 0.00 0.00 173.24 175.92 3ghm n LEU 620 N -0.37 0.00 -0.01 3.45 7.94 -1.26 -2.97 117.00 123.78 3ghm n LEU 620 Ca -0.05 0.03 0.03 0.00 -1.11 0.00 0.00 56.01 54.91 3ghm n LEU 620 Cb 0.62 -0.03 -0.04 0.00 0.53 0.00 0.00 43.42 44.50 3ghm n LEU 620 CO 0.19 -0.01 -0.01 0.18 -1.11 0.00 0.00 177.39 176.64 3ghm n LEU 621 N -1.03 0.34 -4.77 -1.96 4.77 -1.26 -4.98 117.00 108.11 3ghm n LEU 621 Ca 0.18 -0.51 -0.38 0.00 -0.03 0.00 0.00 56.01 55.28 3ghm n LEU 621 Cb 0.10 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3ghm n LEU 621 CO 0.15 0.08 0.88 -1.61 -1.33 0.00 0.00 177.39 175.56 3ghm s GLU 622 N -1.59 3.65 0.12 3.23 0.41 -1.16 -4.87 118.70 118.49 3ghm s GLU 622 Ca 0.03 1.91 -0.15 0.00 -0.41 0.00 0.00 54.97 56.35 3ghm s GLU 622 Cb 0.05 -2.41 -0.04 0.00 -1.78 0.00 0.00 34.13 29.95 3ghm s GLU 622 CO 0.26 -0.68 1.53 -0.44 -0.49 0.00 0.00 175.26 175.44 3ghm h ASP 623 N 1.99 0.68 -3.61 -0.19 3.32 -1.95 -3.39 116.42 113.28 3ghm h ASP 623 Ca -0.50 -0.34 -0.65 0.00 0.02 0.00 0.00 57.03 55.56 3ghm h ASP 623 Cb 1.26 -0.19 -0.22 0.00 0.22 0.00 0.00 39.33 40.40 3ghm h ASP 623 CO 0.60 0.87 -0.63 -0.83 -1.72 0.00 0.00 179.24 177.53 3ghm s GLY 624 N -3.38 1.76 0.08 2.75 0.00 -1.26 -4.29 107.32 102.98 3ghm s GLY 624 Ca -0.13 -1.11 -0.15 0.00 0.00 0.00 0.00 44.72 43.34 3ghm s GLY 624 CO 0.80 0.49 0.34 1.09 0.00 0.00 0.00 173.10 175.82 3ghm s ARG 625 N 1.52 0.93 -0.28 2.90 1.70 -0.96 -4.45 118.95 120.31 3ghm s ARG 625 Ca 0.06 -0.62 -0.08 0.00 -0.47 0.00 0.00 55.73 54.62 3ghm s ARG 625 Cb -0.15 0.40 -0.01 0.00 -0.57 0.00 0.00 34.95 34.62 3ghm s ARG 625 CO 0.03 -0.33 0.09 0.08 -1.08 0.00 0.00 175.30 174.10 3ghm s VAL 626 N -3.18 4.30 -0.29 4.99 1.01 0.27 -1.57 120.40 125.93 3ghm s VAL 626 Ca -0.01 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 61.53 3ghm s VAL 626 Cb 0.01 -3.10 -0.00 0.00 0.00 0.00 0.00 36.38 33.28 3ghm s VAL 626 CO -0.07 0.21 0.10 -1.61 0.00 0.00 0.00 175.10 173.73 3ghm s GLU 627 N 1.59 3.30 -0.27 2.72 2.02 0.68 -1.59 118.70 127.15 3ghm s GLU 627 Ca 0.05 -0.73 -0.04 0.00 0.02 0.00 0.00 54.97 54.28 3ghm s GLU 627 Cb -0.16 -3.42 0.02 0.00 0.10 0.00 0.00 34.13 30.67 3ghm s GLU 627 CO 0.04 -0.38 -0.00 -0.47 0.02 0.00 0.00 175.26 174.47 3ghm s TYR 628 N 1.56 3.12 -0.03 1.61 5.04 -0.75 -0.59 117.35 127.32 3ghm s TYR 628 Ca 0.04 -1.38 0.07 0.00 -2.44 0.00 0.00 57.07 53.36 3ghm s TYR 628 Cb -0.17 -2.13 -0.02 0.00 0.35 0.00 0.00 41.96 39.99 3ghm s TYR 628 CO 0.04 -0.68 -0.23 1.03 -1.34 0.00 0.00 175.55 174.37 3ghm s ARG 629 N 1.38 1.96 -0.30 4.97 1.81 -0.12 -2.20 118.95 126.45 3ghm s ARG 629 Ca 0.00 -0.81 -0.02 0.00 -1.72 0.00 0.00 55.73 53.18 3ghm s ARG 629 Cb -0.17 -1.83 0.05 0.00 -0.45 0.00 0.00 34.95 32.54 3ghm s ARG 629 CO -0.02 0.45 0.00 0.08 -0.68 0.00 0.00 175.30 175.14 3ghm s VAL 630 N -0.43 3.01 0.26 3.52 1.01 -1.26 -1.04 120.40 125.46 3ghm s VAL 630 Ca 0.06 -1.37 -0.30 0.00 0.00 0.00 0.00 61.98 60.38 3ghm s VAL 630 Cb -0.10 -2.72 -0.09 0.00 0.00 0.00 0.00 36.38 33.47 3ghm s VAL 630 CO 0.00 -0.10 1.00 0.00 0.00 0.00 0.00 175.10 176.00 3ghm s ALA 631 N 1.26 3.36 0.36 5.51 0.00 0.14 -4.93 121.76 127.46 3ghm s ALA 631 Ca -0.05 0.72 0.08 0.00 0.00 0.00 0.00 51.96 52.71 3ghm s ALA 631 Cb -0.20 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 3ghm s ALA 631 CO -0.01 0.07 0.21 -0.51 0.00 0.00 0.00 175.76 175.52 3ghm s LEU 632 N -1.31 3.33 0.00 0.00 1.43 -1.26 -0.61 118.68 120.25 3ghm s LEU 632 Ca 0.43 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 3ghm s LEU 632 Cb -0.28 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.11 3ghm s LEU 632 CO 0.35 -0.39 0.00 0.35 0.23 0.00 0.00 176.35 176.89 3ghm n THR 633 N -1.26 0.00 0.22 5.49 -2.24 -0.70 -4.74 114.28 111.05 3ghm n THR 633 Ca -0.02 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 61.94 3ghm n THR 633 Cb 0.61 -0.98 0.85 0.00 -2.10 0.00 0.00 70.33 68.72 3ghm n THR 633 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3ghm h GLU 634 N 0.00 0.00 0.00 -0.78 4.81 -2.01 -3.42 114.58 113.18 3ghm h GLU 634 Ca 0.00 0.00 -0.65 0.00 -0.13 0.00 0.00 59.36 58.58 3ghm h GLU 634 Cb 0.00 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.27 3ghm h GLU 634 CO 0.00 0.00 -0.44 -0.25 -0.73 0.00 0.00 179.01 177.59 3ghm n ASP 635 N -3.67 3.28 -1.48 1.04 8.00 -1.26 -4.99 116.55 117.48 3ghm n ASP 635 Ca 0.01 -3.17 0.00 0.00 0.71 0.00 0.00 54.79 52.34 3ghm n ASP 635 Cb 0.32 0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 3ghm n ASP 635 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3ghm n ARG 636 N -1.37 0.80 -3.92 -1.24 5.12 -1.26 -4.83 116.66 109.96 3ghm n ARG 636 Ca -0.17 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.38 3ghm n ARG 636 Cb 0.64 -1.10 -0.06 0.00 -1.16 0.00 0.00 32.46 30.78 3ghm n ARG 636 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3ghm s LEU 637 N 0.00 4.30 -0.06 0.55 1.43 -1.26 -4.95 118.68 118.69 3ghm s LEU 637 Ca 0.00 0.42 -0.29 0.00 -1.03 0.00 0.00 54.13 53.23 3ghm s LEU 637 Cb 0.00 -2.05 -0.07 0.00 0.03 0.00 0.00 46.19 44.10 3ghm s LEU 637 CO 0.00 0.39 1.92 -2.16 0.23 0.00 0.00 176.35 176.73 3ghm s PRO 638 N -0.91 3.92 -0.21 1.29 0.04 -1.26 -1.72 135.00 136.14 3ghm s PRO 638 Ca 0.14 2.32 -0.04 0.00 0.04 0.00 0.00 61.00 63.47 3ghm s PRO 638 Cb -0.12 -4.16 -0.12 0.00 0.04 0.00 0.00 34.50 30.15 3ghm s PRO 638 CO 0.03 -1.19 -0.23 -2.13 0.04 0.00 0.00 177.00 173.53 3ghm n ARG 639 N 7.71 0.50 -3.77 4.56 0.63 0.22 -4.27 116.66 122.23 3ghm n ARG 639 Ca 0.21 0.16 -0.13 0.00 -0.92 0.00 0.00 57.85 57.17 3ghm n ARG 639 Cb 0.43 -1.36 -0.10 0.00 0.45 0.00 0.00 32.46 31.88 3ghm n ARG 639 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 3ghm s LEU 640 N -6.63 0.89 -0.12 6.15 2.96 -0.99 -4.59 118.68 116.35 3ghm s LEU 640 Ca -0.29 0.37 0.03 0.00 -0.22 0.00 0.00 54.13 54.02 3ghm s LEU 640 Cb 0.09 1.10 0.01 0.00 0.50 0.00 0.00 46.19 47.89 3ghm s LEU 640 CO 0.44 -0.24 -0.23 -1.61 -1.32 0.00 0.00 176.35 173.39 3ghm s GLU 641 N -0.46 3.04 0.00 1.98 2.02 -0.88 0.27 118.70 124.68 3ghm s GLU 641 Ca -0.06 -0.86 0.04 0.00 0.02 0.00 0.00 54.97 54.12 3ghm s GLU 641 Cb -0.04 -2.39 -0.01 0.00 0.10 0.00 0.00 34.13 31.79 3ghm s GLU 641 CO 0.02 0.07 -0.14 -1.21 0.02 0.00 0.00 175.26 174.02 3ghm s GLU 642 N 0.61 1.04 -0.12 1.61 2.02 -0.21 -1.01 118.70 122.65 3ghm s GLU 642 Ca -0.12 -0.56 -0.01 0.00 0.02 0.00 0.00 54.97 54.30 3ghm s GLU 642 Cb -0.17 -1.02 0.03 0.00 0.10 0.00 0.00 34.13 33.08 3ghm s GLU 642 CO 0.03 0.27 -0.06 0.42 0.02 0.00 0.00 175.26 175.94 3ghm s ILE 643 N -0.47 0.96 -0.09 -1.63 1.01 0.76 -0.94 121.20 120.80 3ghm s ILE 643 Ca 0.04 -0.32 0.03 0.00 0.00 0.00 0.00 60.65 60.39 3ghm s ILE 643 Cb -0.06 -1.04 -0.01 0.00 0.01 0.00 0.00 42.46 41.35 3ghm s ILE 643 CO 0.00 0.29 -0.18 -0.13 0.00 0.00 0.00 174.94 174.92 3ghm s ARG 644 N 1.73 2.94 -0.40 2.79 0.52 0.25 -1.61 118.95 125.16 3ghm s ARG 644 Ca 0.04 -0.77 -0.04 0.00 -0.52 0.00 0.00 55.73 54.44 3ghm s ARG 644 Cb -0.13 -2.41 0.10 0.00 0.52 0.00 0.00 34.95 33.02 3ghm s ARG 644 CO -0.08 0.34 0.19 0.42 0.02 0.00 0.00 175.30 176.20 3ghm s ILE 645 N -0.01 3.46 0.21 1.52 1.01 -1.11 -0.23 121.20 126.04 3ghm s ILE 645 Ca -0.05 -1.84 -0.24 0.00 0.00 0.00 0.00 60.65 58.51 3ghm s ILE 645 Cb -0.15 -3.27 -0.08 0.00 0.01 0.00 0.00 42.46 38.97 3ghm s ILE 645 CO 0.05 -0.59 0.79 0.26 0.00 0.00 0.00 174.94 175.44 3ghm s TRP 646 N 1.22 3.81 0.33 3.97 0.52 -0.61 -4.38 118.94 123.79 3ghm s TRP 646 Ca 0.05 1.59 0.00 0.00 0.02 0.00 0.00 56.10 57.76 3ghm s TRP 646 Cb -0.23 -2.75 0.00 0.00 -1.15 0.00 0.00 33.47 29.34 3ghm s TRP 646 CO -0.03 0.42 0.00 0.41 0.02 0.00 0.00 176.95 177.78 3ghm n GLY 647 N 1.19 -1.76 3.76 0.98 0.00 -1.26 -2.25 105.19 105.85 3ghm n GLY 647 Ca -0.04 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 44.81 3ghm n GLY 647 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ghm s PRO 648 N -2.84 4.30 0.54 1.61 0.04 -1.26 -4.69 135.00 132.70 3ghm s PRO 648 Ca 0.00 0.70 -0.16 0.00 0.04 0.00 0.00 61.00 61.58 3ghm s PRO 648 Cb 0.00 -3.34 -0.07 0.00 0.04 0.00 0.00 34.50 31.13 3ghm s PRO 648 CO 0.00 0.38 1.00 -0.51 0.04 0.00 0.00 177.00 177.91 3ghm s LEU 649 N -0.20 3.55 0.02 -3.56 1.43 -1.26 -4.69 118.68 113.96 3ghm s LEU 649 Ca 0.30 1.59 0.22 0.00 -1.03 0.00 0.00 54.13 55.21 3ghm s LEU 649 Cb -0.18 -4.51 0.93 0.00 0.03 0.00 0.00 46.19 42.46 3ghm s LEU 649 CO 0.17 -0.72 1.70 0.00 0.23 0.00 0.00 176.35 177.72 3ghm n GLN 650 N -1.82 0.02 -3.85 1.70 6.02 -1.26 -4.68 117.38 113.52 3ghm n GLN 650 Ca 0.07 0.14 -0.09 0.00 -0.01 0.00 0.00 57.00 57.11 3ghm n GLN 650 Cb 0.54 -1.53 -0.07 0.00 1.02 0.00 0.00 30.24 30.20 3ghm n GLN 650 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 3ghm s GLU 651 N -3.02 0.83 0.74 -1.09 2.12 -1.26 -5.04 118.70 111.98 3ghm s GLU 651 Ca 0.10 -0.90 -0.16 0.00 0.36 0.00 0.00 54.97 54.38 3ghm s GLU 651 Cb 0.14 0.34 0.02 0.00 0.26 0.00 0.00 34.13 34.89 3ghm s GLU 651 CO 0.40 -0.26 1.04 -0.25 -0.54 0.00 0.00 175.26 175.65 3ghm n ASP 652 N 0.04 0.72 -3.88 -1.70 10.43 -1.26 -4.74 116.55 116.15 3ghm n ASP 652 Ca -0.16 0.66 -0.24 0.00 2.57 0.00 0.00 54.79 57.62 3ghm n ASP 652 Cb 0.62 -1.44 -0.17 0.00 1.84 0.00 0.00 41.12 41.97 3ghm n ASP 652 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3ghm s ALA 653 N -1.84 1.02 -0.32 2.24 0.00 -0.56 -4.09 121.76 118.20 3ghm s ALA 653 Ca 0.74 -0.32 -0.21 0.00 0.00 0.00 0.00 51.96 52.18 3ghm s ALA 653 Cb -0.34 -0.72 -0.00 0.00 0.00 0.00 0.00 23.12 22.06 3ghm s ALA 653 CO 0.50 -0.28 0.66 -0.51 0.00 0.00 0.00 175.76 176.13 3ghm s ASP 654 N 1.48 6.50 -0.39 0.00 -0.00 0.70 -0.00 116.67 124.97 3ghm s ASP 654 Ca -0.01 0.39 -0.14 0.00 -0.00 0.00 0.00 52.55 52.79 3ghm s ASP 654 Cb -0.13 -2.34 0.01 0.00 -0.00 0.00 0.00 42.92 40.46 3ghm s ASP 654 CO -0.04 -0.54 0.27 -0.63 -0.00 0.00 0.00 175.17 174.23 3ghm s ILE 655 N 2.70 5.14 0.19 0.77 -1.09 0.13 -1.09 121.20 127.95 3ghm s ILE 655 Ca 0.26 -0.58 0.07 0.00 -2.23 0.00 0.00 60.65 58.17 3ghm s ILE 655 Cb -0.15 -3.81 -0.05 0.00 -1.58 0.00 0.00 42.46 36.88 3ghm s ILE 655 CO 0.13 -0.22 -0.14 0.00 -1.23 0.00 0.00 174.94 173.48 3ghm s GLN 656 N 1.67 1.27 0.04 2.79 -2.07 -0.60 -1.45 119.66 121.31 3ghm s GLN 656 Ca 0.05 -1.53 0.06 0.00 -1.82 0.00 0.00 55.36 52.12 3ghm s GLN 656 Cb -0.19 -1.06 -0.03 0.00 -1.09 0.00 0.00 33.01 30.64 3ghm s GLN 656 CO 0.09 0.18 -0.14 0.54 -1.32 0.00 0.00 175.29 174.64 3ghm s VAL 657 N -2.87 3.10 -0.18 3.63 0.11 -0.16 -0.89 120.40 123.14 3ghm s VAL 657 Ca 0.20 -1.08 -0.05 0.00 -2.93 0.00 0.00 61.98 58.12 3ghm s VAL 657 Cb -0.01 -2.34 -0.03 0.00 -1.53 0.00 0.00 36.38 32.47 3ghm s VAL 657 CO 0.06 0.33 0.00 -0.47 -3.33 0.00 0.00 175.10 171.69 3ghm s TYR 658 N -0.98 3.07 -0.22 1.54 5.04 0.54 -0.54 117.35 125.80 3ghm s TYR 658 Ca 0.16 -0.31 -0.01 0.00 -2.44 0.00 0.00 57.07 54.47 3ghm s TYR 658 Cb -0.11 -2.05 0.02 0.00 0.35 0.00 0.00 41.96 40.17 3ghm s TYR 658 CO 0.07 -0.11 -0.10 0.50 -1.34 0.00 0.00 175.55 174.57 3ghm s ARG 659 N 0.71 2.99 0.12 4.97 3.52 -1.23 -2.03 118.95 128.00 3ghm s ARG 659 Ca 0.00 -0.86 -0.10 0.00 -0.13 0.00 0.00 55.73 54.64 3ghm s ARG 659 Cb -0.14 -2.87 -0.09 0.00 -1.56 0.00 0.00 34.95 30.29 3ghm s ARG 659 CO 0.02 -0.30 1.36 -0.09 -0.81 0.00 0.00 175.30 175.48 3ghm h ARG 660 N 8.01 0.74 -6.58 5.12 9.65 -1.81 1.11 114.38 130.61 3ghm h ARG 660 Ca -0.38 -0.57 -0.69 0.00 -1.10 0.00 0.00 59.98 57.24 3ghm h ARG 660 Cb 1.13 0.11 -0.24 0.00 -1.39 0.00 0.00 29.97 29.57 3ghm h ARG 660 CO 0.60 1.18 -0.83 0.71 2.80 0.00 0.00 179.97 184.43 3ghm s TYR 661 N -3.82 2.49 1.21 2.20 1.51 -1.26 -4.11 117.35 115.56 3ghm s TYR 661 Ca -0.09 -0.30 -0.18 0.00 -1.01 0.00 0.00 57.07 55.48 3ghm s TYR 661 Cb 0.09 -1.48 0.29 0.00 -0.11 0.00 0.00 41.96 40.75 3ghm s TYR 661 CO 0.89 0.18 1.06 0.20 -1.11 0.00 0.00 175.55 176.77 3ghm s GLY 662 N -1.18 1.54 0.00 0.71 0.00 -1.26 -4.64 107.32 102.49 3ghm s GLY 662 Ca 0.13 -0.74 0.08 0.00 0.00 0.00 0.00 44.72 44.19 3ghm s GLY 662 CO 0.03 0.11 1.12 -1.84 0.00 0.00 0.00 173.10 172.52 3ghm n GLU 663 N -4.85 0.11 -0.59 2.90 0.00 -1.26 -2.63 120.64 114.32 3ghm n GLU 663 Ca 0.10 0.21 0.05 0.00 0.00 0.00 0.00 57.16 57.52 3ghm n GLU 663 Cb 0.59 -1.50 0.27 0.00 0.00 0.00 0.00 31.44 30.79 3ghm n GLU 663 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 3ghm n GLU 664 N -1.29 3.56 -0.10 3.44 0.00 -1.26 -3.95 120.64 121.04 3ghm n GLU 664 Ca 0.04 -2.08 0.03 0.00 0.00 0.00 0.00 57.16 55.15 3ghm n GLU 664 Cb 0.06 -2.00 0.08 0.00 0.00 0.00 0.00 31.44 29.59 3ghm n GLU 664 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3ghm n TYR 665 N 0.43 0.24 0.00 -1.84 4.02 -1.08 -5.11 117.16 113.81 3ghm n TYR 665 Ca 0.18 -0.56 0.00 0.00 -0.01 0.00 0.00 57.90 57.52 3ghm n TYR 665 Cb 0.87 -0.06 0.00 0.00 -0.02 0.00 0.00 39.34 40.13 3ghm n TYR 665 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ghm n GLY 666 N -0.17 0.01 0.06 2.72 0.00 -1.25 -4.63 105.19 101.92 3ghm n GLY 666 Ca 0.07 -1.83 -0.07 0.00 0.00 0.00 0.00 46.02 44.19 3ghm n GLY 666 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ghm n ASN 667 N 0.00 2.49 0.00 1.61 3.02 -1.26 -4.41 115.26 116.71 3ghm n ASN 667 Ca 0.00 -0.02 0.01 0.00 -0.03 0.00 0.00 54.58 54.53 3ghm n ASN 667 Cb 0.00 0.49 0.03 0.00 -0.61 0.00 0.00 39.78 39.69 3ghm n ASN 667 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3ghm n LEU 668 N -2.54 0.00 0.00 3.41 4.77 -1.26 0.09 117.00 121.46 3ghm n LEU 668 Ca -0.20 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 3ghm n LEU 668 Cb 0.83 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.92 3ghm n LEU 668 CO 0.20 0.00 0.17 0.35 -1.33 0.00 0.00 177.39 176.79 3ghm n THR 669 N -0.94 0.00 -3.38 -5.08 -2.24 -1.26 -4.66 114.28 96.72 3ghm n THR 669 Ca 0.01 -0.48 -0.35 0.00 -2.27 0.00 0.00 64.05 60.96 3ghm n THR 669 Cb 0.00 1.03 -0.06 0.00 -2.10 0.00 0.00 70.33 69.20 3ghm n THR 669 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3ghm s ARG 670 N -0.28 3.93 0.39 -0.78 0.52 0.11 -4.69 118.95 118.16 3ghm s ARG 670 Ca 0.00 0.43 -0.25 0.00 -0.52 0.00 0.00 55.73 55.39 3ghm s ARG 670 Cb 0.00 -2.88 -0.09 0.00 0.52 0.00 0.00 34.95 32.50 3ghm s ARG 670 CO 0.00 0.45 1.11 -2.14 0.02 0.00 0.00 175.30 174.74 3ghm s PRO 671 N -2.11 4.15 -0.65 3.54 0.02 -1.26 -4.83 135.00 133.87 3ghm s PRO 671 Ca 0.39 1.69 0.06 0.00 0.02 0.00 0.00 61.00 63.16 3ghm s PRO 671 Cb -0.14 -2.66 0.22 0.00 0.02 0.00 0.00 34.50 31.94 3ghm s PRO 671 CO 0.19 -0.19 0.66 -3.47 -0.33 0.00 0.00 177.00 173.86 3ghm n ASP 672 N 0.11 3.42 -4.71 2.53 2.03 -1.26 -4.11 116.55 114.56 3ghm n ASP 672 Ca 0.04 -3.35 -0.36 0.00 0.52 0.00 0.00 54.79 51.64 3ghm n ASP 672 Cb 0.48 -0.70 -0.08 0.00 -0.72 0.00 0.00 41.12 40.11 3ghm n ASP 672 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3ghm s ILE 673 N -2.13 5.33 -0.04 5.18 1.01 -0.96 -0.22 121.20 129.37 3ghm s ILE 673 Ca 0.35 0.44 0.04 0.00 0.00 0.00 0.00 60.65 61.48 3ghm s ILE 673 Cb 0.09 -3.59 -0.00 0.00 0.01 0.00 0.00 42.46 38.97 3ghm s ILE 673 CO -0.06 0.38 -0.15 0.42 0.00 0.00 0.00 174.94 175.52 3ghm s THR 674 N 0.60 1.29 0.00 2.92 -4.23 0.64 -1.26 115.64 115.61 3ghm s THR 674 Ca 0.14 -0.64 -0.01 0.00 -1.18 0.00 0.00 61.69 60.01 3ghm s THR 674 Cb -0.13 -1.12 -0.01 0.00 1.34 0.00 0.00 72.50 72.59 3ghm s THR 674 CO 0.03 0.38 0.00 0.72 -0.54 0.00 0.00 174.62 175.21 3ghm s PHE 675 N 0.11 0.08 0.01 3.99 -0.12 -0.41 -0.44 117.98 121.20 3ghm s PHE 675 Ca -0.04 -0.16 0.01 0.00 -0.05 0.00 0.00 56.93 56.69 3ghm s PHE 675 Cb -0.11 -0.06 -0.01 0.00 -0.63 0.00 0.00 43.02 42.21 3ghm s PHE 675 CO 0.02 -0.08 -0.04 0.95 -0.05 0.00 0.00 175.22 176.03 3ghm s THR 676 N -0.53 0.25 0.17 -4.49 -4.23 0.56 -0.76 115.64 106.61 3ghm s THR 676 Ca -0.06 -0.46 -0.08 0.00 -1.18 0.00 0.00 61.69 59.91 3ghm s THR 676 Cb -0.04 -0.28 0.03 0.00 1.34 0.00 0.00 72.50 73.56 3ghm s THR 676 CO -0.00 -0.14 0.43 0.00 -0.54 0.00 0.00 174.62 174.37 3ghm n TYR 677 N 2.43 -1.48 -4.20 3.99 4.11 -1.08 0.32 117.16 121.25 3ghm n TYR 677 Ca -0.17 -0.85 -0.15 0.00 -0.00 0.00 0.00 57.90 56.73 3ghm n TYR 677 Cb 0.57 0.42 -0.11 0.00 -0.00 0.00 0.00 39.34 40.23 3ghm n TYR 677 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.86 176.80 3ghm s PHE 678 N -5.11 1.17 0.04 -3.48 0.40 -0.52 -1.30 117.98 109.18 3ghm s PHE 678 Ca 0.09 -0.65 0.02 0.00 -0.60 0.00 0.00 56.93 55.79 3ghm s PHE 678 Cb -0.02 -0.63 -0.02 0.00 0.51 0.00 0.00 43.02 42.86 3ghm s PHE 678 CO 0.05 0.05 -0.07 1.14 0.70 0.00 0.00 175.22 177.09 3ghm s GLN 679 N -2.95 0.49 0.66 0.44 -2.07 -1.03 -2.51 119.66 112.70 3ghm s GLN 679 Ca 0.08 -0.68 -0.17 0.00 -1.82 0.00 0.00 55.36 52.77 3ghm s GLN 679 Cb -0.02 -0.26 -0.00 0.00 -1.09 0.00 0.00 33.01 31.64 3ghm s GLN 679 CO 0.01 0.05 1.24 -1.25 -1.32 0.00 0.00 175.29 174.01 3ghm s PRO 680 N -1.42 2.53 -0.32 9.60 0.04 -1.26 -1.05 135.00 143.12 3ghm s PRO 680 Ca -0.09 1.88 -0.15 0.00 0.04 0.00 0.00 61.00 62.67 3ghm s PRO 680 Cb -0.09 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 3ghm s PRO 680 CO 0.00 -1.56 0.38 0.15 0.04 0.00 0.00 177.00 176.00 3ghm s LYS 681 N -3.56 3.69 0.00 4.56 1.02 0.89 -4.73 119.74 121.61 3ghm s LYS 681 Ca 0.78 -0.28 0.00 0.00 0.02 0.00 0.00 55.97 56.49 3ghm s LYS 681 Cb -0.32 -3.77 0.00 0.00 -0.52 0.00 0.00 37.83 33.22 3ghm s LYS 681 CO 0.40 -0.47 0.07 -2.30 -0.92 0.00 0.00 175.35 172.12