#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ktq s LEU 294 N 0.00 4.09 0.51 0.00 2.96 -1.23 -4.40 118.68 120.61 3ktq s LEU 294 Ca 0.00 0.53 0.02 0.00 -0.22 0.00 0.00 54.13 54.47 3ktq s LEU 294 Cb 0.00 -2.63 -0.00 0.00 0.50 0.00 0.00 46.19 44.06 3ktq s LEU 294 CO 0.00 -0.22 0.10 -1.83 -1.32 0.00 0.00 176.35 173.08 3ktq s GLU 295 N 1.99 2.20 -0.14 1.98 -1.05 -0.40 -4.99 118.70 118.30 3ktq s GLU 295 Ca 0.21 -2.29 0.00 0.00 -0.15 0.00 0.00 54.97 52.74 3ktq s GLU 295 Cb -0.15 -1.68 0.02 0.00 -0.44 0.00 0.00 34.13 31.88 3ktq s GLU 295 CO 0.09 -0.40 -0.12 -1.21 0.95 0.00 0.00 175.26 174.57 3ktq s GLU 296 N -3.96 2.04 0.25 -4.83 2.02 -1.26 -1.27 118.70 111.69 3ktq s GLU 296 Ca 0.14 -0.49 0.08 0.00 0.02 0.00 0.00 54.97 54.73 3ktq s GLU 296 Cb 0.01 -1.97 -0.04 0.00 0.10 0.00 0.00 34.13 32.23 3ktq s GLU 296 CO 0.08 -0.26 0.08 0.00 0.02 0.00 0.00 175.26 175.18 3ktq s ALA 297 N 1.55 3.35 0.39 5.21 0.00 -0.49 -4.87 121.76 126.90 3ktq s ALA 297 Ca 0.05 -1.53 -0.27 0.00 0.00 0.00 0.00 51.96 50.21 3ktq s ALA 297 Cb -0.13 -1.02 -0.09 0.00 0.00 0.00 0.00 23.12 21.88 3ktq s ALA 297 CO -0.10 0.28 1.31 -2.14 0.00 0.00 0.00 175.76 175.11 3ktq s PRO 298 N -3.70 4.05 0.00 0.00 0.02 -1.26 -4.17 135.00 129.94 3ktq s PRO 298 Ca 0.32 2.19 0.00 0.00 0.02 0.00 0.00 61.00 63.52 3ktq s PRO 298 Cb -0.07 -2.83 0.00 0.00 0.02 0.00 0.00 34.50 31.62 3ktq s PRO 298 CO 0.22 -0.43 0.00 1.87 -0.33 0.00 0.00 177.00 178.33 3ktq n TRP 299 N 0.28 0.00 -1.36 6.54 -0.00 -1.26 -4.51 117.44 117.13 3ktq n TRP 299 Ca 0.03 0.00 -0.43 0.00 -0.00 0.00 0.00 57.50 57.10 3ktq n TRP 299 Cb 0.43 -0.12 -0.14 0.00 -0.00 0.00 0.00 31.31 31.48 3ktq n TRP 299 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 177.69 175.39 3ktq n PRO 300 N -2.32 0.00 -3.28 5.87 -0.02 -1.26 -4.67 135.00 129.32 3ktq n PRO 300 Ca 0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.22 3ktq n PRO 300 Cb 0.00 -1.42 -0.02 0.00 -0.02 0.00 0.00 33.50 32.05 3ktq n PRO 300 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3ktq s PRO 301 N 7.85 3.55 0.45 0.52 0.04 -1.26 -5.04 135.00 141.10 3ktq s PRO 301 Ca 1.25 -0.14 -0.21 0.00 0.04 0.00 0.00 61.00 61.94 3ktq s PRO 301 Cb -1.24 -2.63 -0.09 0.00 0.04 0.00 0.00 34.50 30.58 3ktq s PRO 301 CO 0.50 0.13 1.01 -1.25 0.04 0.00 0.00 177.00 177.43 3ktq s PRO 302 N -4.07 4.00 0.66 0.56 0.04 -1.26 -4.98 135.00 129.95 3ktq s PRO 302 Ca 0.42 1.29 -0.17 0.00 0.04 0.00 0.00 61.00 62.58 3ktq s PRO 302 Cb -0.10 -2.18 -0.05 0.00 0.04 0.00 0.00 34.50 32.21 3ktq s PRO 302 CO 0.35 -0.25 0.64 -0.85 0.04 0.00 0.00 177.00 176.93 3ktq n GLU 303 N -0.74 0.48 -1.00 4.56 0.00 -1.26 -2.46 120.64 120.23 3ktq n GLU 303 Ca 0.08 0.20 0.00 0.00 0.00 0.00 0.00 57.16 57.44 3ktq n GLU 303 Cb 0.53 -1.88 0.00 0.00 0.00 0.00 0.00 31.44 30.08 3ktq n GLU 303 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3ktq n GLY 304 N 1.58 0.46 3.83 -1.84 0.00 -1.26 -5.02 105.19 102.94 3ktq n GLY 304 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 3ktq n GLY 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ktq s ALA 305 N -1.98 2.93 -0.29 4.61 0.00 -1.03 -4.99 121.76 121.00 3ktq s ALA 305 Ca 0.00 0.22 -0.20 0.00 0.00 0.00 0.00 51.96 51.99 3ktq s ALA 305 Cb 0.00 -3.16 -0.01 0.00 0.00 0.00 0.00 23.12 19.95 3ktq s ALA 305 CO 0.00 -0.55 0.60 -0.06 0.00 0.00 0.00 175.76 175.75 3ktq s PHE 306 N -2.65 3.23 0.63 0.00 0.08 -0.41 -4.48 117.98 114.38 3ktq s PHE 306 Ca 0.60 0.61 -0.17 0.00 0.12 0.00 0.00 56.93 58.09 3ktq s PHE 306 Cb -0.12 -2.90 -0.02 0.00 -0.57 0.00 0.00 43.02 39.41 3ktq s PHE 306 CO 0.37 -0.41 1.17 0.08 -0.10 0.00 0.00 175.22 176.33 3ktq s VAL 307 N 2.51 2.81 -0.11 -0.44 1.01 0.22 -1.15 120.40 125.25 3ktq s VAL 307 Ca 0.24 0.45 -0.06 0.00 0.00 0.00 0.00 61.98 62.61 3ktq s VAL 307 Cb -0.15 -3.08 0.05 0.00 0.00 0.00 0.00 36.38 33.20 3ktq s VAL 307 CO 0.11 -0.16 0.27 -0.83 0.00 0.00 0.00 175.10 174.49 3ktq s GLY 308 N -1.95 -0.17 0.16 4.51 0.00 -0.53 -4.11 107.32 105.24 3ktq s GLY 308 Ca 0.73 1.08 -0.14 0.00 0.00 0.00 0.00 44.72 46.40 3ktq s GLY 308 CO 0.36 1.32 0.39 -0.11 0.00 0.00 0.00 173.10 175.07 3ktq s PHE 309 N 1.29 0.07 -0.06 1.90 -0.71 -1.26 0.29 117.98 119.50 3ktq s PHE 309 Ca -0.09 -0.42 0.00 0.00 -1.04 0.00 0.00 56.93 55.38 3ktq s PHE 309 Cb -0.10 0.18 0.02 0.00 -1.21 0.00 0.00 43.02 41.91 3ktq s PHE 309 CO -0.09 -0.78 -0.03 0.08 -1.34 0.00 0.00 175.22 173.06 3ktq s VAL 310 N -3.89 0.53 0.20 -2.49 1.01 0.19 -4.73 120.40 111.22 3ktq s VAL 310 Ca 0.10 -0.05 0.06 0.00 0.00 0.00 0.00 61.98 62.09 3ktq s VAL 310 Cb 0.01 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 3ktq s VAL 310 CO -0.04 0.25 0.18 -0.76 0.00 0.00 0.00 175.10 174.73 3ktq s LEU 311 N 1.38 3.86 0.48 3.92 1.43 -1.26 0.52 118.68 129.00 3ktq s LEU 311 Ca -0.04 -0.15 0.26 0.00 -1.03 0.00 0.00 54.13 53.17 3ktq s LEU 311 Cb -0.13 -2.43 1.10 0.00 0.03 0.00 0.00 46.19 44.76 3ktq s LEU 311 CO -0.03 0.02 1.90 0.77 0.23 0.00 0.00 176.35 179.24 3ktq h SER 312 N 1.97 0.00 -5.20 2.29 4.64 -1.35 -3.46 113.55 112.44 3ktq h SER 312 Ca -0.48 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.79 3ktq h SER 312 Cb 1.22 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.23 3ktq h SER 312 CO 0.62 0.17 -0.03 0.00 -0.87 0.00 0.00 176.83 176.73 3ktq s ARG 313 N -3.75 1.67 0.21 4.77 1.70 -1.26 -4.92 118.95 117.36 3ktq s ARG 313 Ca -0.00 -1.25 -0.10 0.00 -0.47 0.00 0.00 55.73 53.91 3ktq s ARG 313 Cb 0.11 0.51 0.16 0.00 -0.57 0.00 0.00 34.95 35.15 3ktq s ARG 313 CO 0.61 -0.72 1.85 1.57 -1.08 0.00 0.00 175.30 177.54 3ktq h LYS 314 N 2.17 1.06 -6.32 3.89 -0.00 -2.01 -3.43 116.57 111.94 3ktq h LYS 314 Ca -0.25 -0.10 -0.57 0.00 -0.00 0.00 0.00 60.65 59.74 3ktq h LYS 314 Cb 1.25 -0.22 -0.03 0.00 -0.00 0.00 0.00 32.23 33.22 3ktq h LYS 314 CO 0.33 0.75 1.09 -1.21 -0.00 0.00 0.00 179.45 180.41 3ktq s GLU 315 N -5.97 3.79 0.38 0.07 8.01 -1.26 -4.90 118.70 118.81 3ktq s GLU 315 Ca -0.13 1.48 0.06 0.00 0.01 0.00 0.00 54.97 56.38 3ktq s GLU 315 Cb 0.15 -4.00 0.77 0.00 -4.31 0.00 0.00 34.13 26.74 3ktq s GLU 315 CO 0.80 -1.30 2.02 -1.35 0.01 0.00 0.00 175.26 175.44 3ktq h PRO 316 N 10.43 0.68 0.00 0.39 0.11 -1.86 0.27 132.00 142.01 3ktq h PRO 316 Ca -0.31 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3ktq h PRO 316 Cb 1.13 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3ktq h PRO 316 CO 1.02 0.45 0.00 0.52 -0.21 0.00 0.00 178.00 179.77 3ktq h MET 317 N 0.70 0.00 0.00 1.05 2.86 -1.90 -3.30 114.93 114.33 3ktq h MET 317 Ca 0.22 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.74 3ktq h MET 317 Cb 0.04 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 3ktq h MET 317 CO -0.06 0.00 -1.70 0.91 1.06 0.00 0.00 176.91 177.13 3ktq n TRP 318 N -2.82 0.00 -0.92 -0.22 7.02 -0.80 -5.06 117.44 114.64 3ktq n TRP 318 Ca 0.03 0.00 -0.30 0.00 -1.02 0.00 0.00 57.50 56.21 3ktq n TRP 318 Cb 0.39 -0.45 0.17 0.00 -2.42 0.00 0.00 31.31 28.99 3ktq n TRP 318 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3ktq s ALA 319 N -2.51 1.15 -0.16 6.99 0.00 0.87 -4.96 121.76 123.13 3ktq s ALA 319 Ca -0.05 0.14 -0.02 0.00 0.00 0.00 0.00 51.96 52.03 3ktq s ALA 319 Cb 0.05 -3.29 -0.02 0.00 0.00 0.00 0.00 23.12 19.87 3ktq s ALA 319 CO 0.49 -2.74 -0.08 0.34 0.00 0.00 0.00 175.76 173.77 3ktq s ASP 320 N -3.01 4.36 -0.77 0.00 2.15 -1.26 -4.86 116.67 113.28 3ktq s ASP 320 Ca 0.65 -0.27 -0.25 0.00 0.43 0.00 0.00 52.55 53.10 3ktq s ASP 320 Cb -0.21 -1.70 -0.03 0.00 -0.30 0.00 0.00 42.92 40.67 3ktq s ASP 320 CO 0.59 0.12 1.90 -0.22 -0.17 0.00 0.00 175.17 177.39 3ktq s LEU 321 N 0.63 3.22 0.15 -1.34 0.20 -1.26 -0.90 118.68 119.38 3ktq s LEU 321 Ca -0.04 -0.23 -0.01 0.00 0.69 0.00 0.00 54.13 54.53 3ktq s LEU 321 Cb -0.15 -2.55 -0.05 0.00 -0.43 0.00 0.00 46.19 43.02 3ktq s LEU 321 CO 0.03 -2.56 1.34 -0.07 -0.29 0.00 0.00 176.35 174.79 3ktq h LEU 322 N 17.15 0.41 -7.09 -0.68 3.38 -0.26 -3.42 115.31 124.80 3ktq h LEU 322 Ca -0.06 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.51 3ktq h LEU 322 Cb 1.08 -0.13 -0.21 0.00 0.09 0.00 0.00 40.66 41.49 3ktq h LEU 322 CO 1.22 1.13 0.05 0.00 0.09 0.00 0.00 178.44 180.92 3ktq s ALA 323 N -3.26 -1.57 -0.04 1.53 0.00 -1.00 -4.91 121.76 112.52 3ktq s ALA 323 Ca -0.05 1.61 0.00 0.00 0.00 0.00 0.00 51.96 53.53 3ktq s ALA 323 Cb 0.09 -0.77 0.02 0.00 0.00 0.00 0.00 23.12 22.47 3ktq s ALA 323 CO 0.85 -0.31 -0.02 -1.17 0.00 0.00 0.00 175.76 175.11 3ktq s LEU 324 N -0.07 1.16 0.32 0.00 0.20 -1.26 -0.64 118.68 118.39 3ktq s LEU 324 Ca -0.03 -0.08 0.06 0.00 0.69 0.00 0.00 54.13 54.77 3ktq s LEU 324 Cb -0.04 -0.36 -0.03 0.00 -0.43 0.00 0.00 46.19 45.34 3ktq s LEU 324 CO 0.03 -0.09 0.28 0.00 -0.29 0.00 0.00 176.35 176.27 3ktq s ALA 325 N 1.11 1.74 0.04 5.97 0.00 0.15 -1.03 121.76 129.74 3ktq s ALA 325 Ca -0.08 -2.01 -0.21 0.00 0.00 0.00 0.00 51.96 49.65 3ktq s ALA 325 Cb -0.14 1.46 0.05 0.00 0.00 0.00 0.00 23.12 24.49 3ktq s ALA 325 CO -0.01 -0.66 0.48 0.00 0.00 0.00 0.00 175.76 175.56 3ktq s ALA 326 N -3.49 -1.22 -0.03 0.00 0.00 0.57 -1.45 121.76 116.14 3ktq s ALA 326 Ca 0.40 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.86 3ktq s ALA 326 Cb 0.03 0.37 0.03 0.00 0.00 0.00 0.00 23.12 23.54 3ktq s ALA 326 CO 0.26 -0.49 0.00 0.00 0.00 0.00 0.00 175.76 175.54 3ktq s ALA 327 N -2.44 0.36 -0.20 0.00 0.00 -0.30 -0.40 121.76 118.79 3ktq s ALA 327 Ca -0.05 0.13 -0.15 0.00 0.00 0.00 0.00 51.96 51.88 3ktq s ALA 327 Cb -0.01 -0.38 0.06 0.00 0.00 0.00 0.00 23.12 22.79 3ktq s ALA 327 CO -0.02 -0.13 0.51 0.50 0.00 0.00 0.00 175.76 176.62 3ktq s ARG 328 N 1.17 0.56 5.92 0.00 3.00 -1.08 -1.29 118.95 127.23 3ktq s ARG 328 Ca -0.08 0.79 0.00 0.00 -1.00 0.00 0.00 55.73 55.44 3ktq s ARG 328 Cb -0.13 0.20 0.00 0.00 0.00 0.00 0.00 34.95 35.01 3ktq s ARG 328 CO -0.02 -0.10 0.00 0.41 0.00 0.00 0.00 175.30 175.59 3ktq n GLY 329 N 3.34 1.64 0.00 8.12 0.00 -1.26 -2.52 105.19 114.51 3ktq n GLY 329 Ca -0.17 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3ktq n GLY 329 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ktq n GLY 330 N 0.00 0.46 3.99 -0.02 0.00 -1.26 -5.07 105.19 103.28 3ktq n GLY 330 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 3ktq n GLY 330 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ktq s ARG 331 N -0.06 2.41 -0.10 1.61 3.03 -1.05 -1.27 118.95 123.53 3ktq s ARG 331 Ca 0.00 -0.99 -0.04 0.00 2.03 0.00 0.00 55.73 56.73 3ktq s ARG 331 Cb 0.00 -2.52 0.05 0.00 -1.03 0.00 0.00 34.95 31.45 3ktq s ARG 331 CO 0.00 -0.79 0.22 0.08 -1.13 0.00 0.00 175.30 173.68 3ktq s VAL 332 N -2.76 -0.12 -0.19 4.99 1.01 -0.40 -2.65 120.40 120.29 3ktq s VAL 332 Ca 0.59 0.19 -0.06 0.00 0.00 0.00 0.00 61.98 62.70 3ktq s VAL 332 Cb -0.09 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.91 3ktq s VAL 332 CO 0.39 0.08 0.04 -1.00 0.00 0.00 0.00 175.10 174.61 3ktq s HIS 333 N 1.50 3.14 -0.29 5.22 3.76 0.47 -1.40 115.29 127.69 3ktq s HIS 333 Ca -0.07 -0.16 -0.05 0.00 -0.15 0.00 0.00 55.06 54.63 3ktq s HIS 333 Cb -0.11 -2.09 0.02 0.00 1.11 0.00 0.00 32.58 31.51 3ktq s HIS 333 CO -0.08 -0.04 0.04 1.03 -0.85 0.00 0.00 174.74 174.84 3ktq s ARG 334 N 0.73 2.84 -0.10 1.40 0.52 -1.26 -0.31 118.95 122.78 3ktq s ARG 334 Ca 0.02 -1.01 -0.30 0.00 -0.52 0.00 0.00 55.73 53.93 3ktq s ARG 334 Cb -0.14 -3.27 -0.04 0.00 0.52 0.00 0.00 34.95 32.03 3ktq s ARG 334 CO 0.02 -0.50 1.46 0.00 0.02 0.00 0.00 175.30 176.30 3ktq s ALA 335 N 1.40 3.63 0.41 2.13 0.00 -0.19 -4.16 121.76 124.98 3ktq s ALA 335 Ca 0.00 0.73 0.18 0.00 0.00 0.00 0.00 51.96 52.87 3ktq s ALA 335 Cb -0.18 -3.68 1.08 0.00 0.00 0.00 0.00 23.12 20.35 3ktq s ALA 335 CO 0.00 -1.25 1.98 -1.00 0.00 0.00 0.00 175.76 175.49 3ktq h PRO 336 N 8.80 0.00 -2.90 0.00 0.13 -1.98 -3.33 132.00 132.71 3ktq h PRO 336 Ca -0.34 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.18 3ktq h PRO 336 Cb 1.15 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.87 3ktq h PRO 336 CO 0.96 0.21 -0.74 -1.21 -0.23 0.00 0.00 178.00 176.98 3ktq s GLU 337 N -4.38 1.51 0.10 0.86 2.02 -1.26 -5.05 118.70 112.50 3ktq s GLU 337 Ca -0.03 -2.36 -0.20 0.00 0.02 0.00 0.00 54.97 52.39 3ktq s GLU 337 Cb 0.14 -2.45 -0.05 0.00 0.10 0.00 0.00 34.13 31.87 3ktq s GLU 337 CO 0.67 -1.23 1.35 -1.00 0.02 0.00 0.00 175.26 175.06 3ktq h PRO 338 N 6.20 -0.08 -0.54 0.39 0.13 -1.88 0.21 132.00 136.42 3ktq h PRO 338 Ca 0.08 0.01 0.11 0.00 -0.87 0.00 0.00 66.00 65.32 3ktq h PRO 338 Cb 0.88 0.02 -0.10 0.00 0.13 0.00 0.00 31.00 31.92 3ktq h PRO 338 CO 0.52 -0.05 -0.16 1.88 -0.23 0.00 0.00 178.00 179.96 3ktq h TYR 339 N -0.08 -0.37 -0.43 1.56 0.05 -1.96 0.12 116.97 115.85 3ktq h TYR 339 Ca 0.09 0.05 -0.07 0.00 0.05 0.00 0.00 58.73 58.85 3ktq h TYR 339 Cb 0.30 0.25 -0.02 0.00 1.01 0.00 0.00 36.73 38.27 3ktq h TYR 339 CO -0.90 -0.26 -0.02 -0.22 -1.05 0.00 0.00 178.16 175.71 3ktq h LYS 340 N -0.03 0.71 0.00 4.88 3.64 -1.90 -2.55 116.57 121.33 3ktq h LYS 340 Ca 0.26 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 3ktq h LYS 340 Cb 0.43 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3ktq h LYS 340 CO -0.57 0.74 -0.10 0.00 -2.27 0.00 0.00 179.45 177.25 3ktq h ALA 341 N 1.31 1.14 0.00 5.00 0.00 0.19 -2.64 119.26 124.27 3ktq h ALA 341 Ca 0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3ktq h ALA 341 Cb 0.45 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3ktq h ALA 341 CO 0.02 0.13 -0.08 -0.07 0.00 0.00 0.00 179.25 179.24 3ktq h LEU 342 N 0.00 0.00 -1.29 0.00 3.38 -0.66 -1.47 115.31 115.28 3ktq h LEU 342 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ktq h LEU 342 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3ktq h LEU 342 CO 0.01 0.08 0.00 0.03 0.09 0.00 0.00 178.44 178.66 3ktq h ARG 343 N 0.00 0.00 0.05 1.13 -0.00 -1.60 -3.02 114.38 110.94 3ktq h ARG 343 Ca -0.00 0.00 -0.25 0.00 -0.50 0.00 0.00 59.98 59.23 3ktq h ARG 343 Cb 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.11 3ktq h ARG 343 CO 0.01 0.00 -1.25 -0.44 0.00 0.00 0.00 179.97 178.29 3ktq h ASP 344 N 0.00 0.17 -3.66 7.04 3.32 -1.44 -3.47 116.42 118.39 3ktq h ASP 344 Ca 0.00 -0.20 -0.52 0.00 0.02 0.00 0.00 57.03 56.33 3ktq h ASP 344 Cb 0.36 -0.05 0.04 0.00 0.22 0.00 0.00 39.33 39.89 3ktq h ASP 344 CO 0.00 1.16 0.61 -0.76 -1.72 0.00 0.00 179.24 178.53 3ktq s LEU 345 N -6.77 4.45 0.08 1.55 1.43 -1.14 -4.93 118.68 113.35 3ktq s LEU 345 Ca -0.03 2.48 0.23 0.00 -1.03 0.00 0.00 54.13 55.78 3ktq s LEU 345 Cb 0.08 -3.63 0.15 0.00 0.03 0.00 0.00 46.19 42.82 3ktq s LEU 345 CO 0.84 -0.45 1.12 2.29 0.23 0.00 0.00 176.35 180.39 3ktq n LYS 346 N 1.65 0.32 -3.59 1.70 -0.00 -1.26 -4.94 118.16 112.04 3ktq n LYS 346 Ca 0.02 0.03 -0.05 0.00 -0.00 0.00 0.00 58.31 58.32 3ktq n LYS 346 Cb 0.43 -1.64 -0.02 0.00 -0.00 0.00 0.00 35.03 33.80 3ktq n LYS 346 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 3ktq s GLU 347 N -3.20 0.35 -0.41 -1.58 2.12 -1.26 -4.59 118.70 110.12 3ktq s GLU 347 Ca 0.04 -0.13 -0.11 0.00 0.36 0.00 0.00 54.97 55.13 3ktq s GLU 347 Cb 0.14 0.16 0.05 0.00 0.26 0.00 0.00 34.13 34.74 3ktq s GLU 347 CO 0.77 -0.15 0.26 0.00 -0.54 0.00 0.00 175.26 175.60 3ktq s ALA 348 N -2.47 3.33 -0.18 6.30 0.00 -0.44 -4.93 121.76 123.37 3ktq s ALA 348 Ca 0.09 -1.94 0.00 0.00 0.00 0.00 0.00 51.96 50.12 3ktq s ALA 348 Cb -0.01 -2.70 0.01 0.00 0.00 0.00 0.00 23.12 20.43 3ktq s ALA 348 CO -0.05 -1.54 -0.18 1.03 0.00 0.00 0.00 175.76 175.02 3ktq s ARG 349 N 1.52 3.05 0.00 0.00 0.52 -1.26 -0.16 118.95 122.63 3ktq s ARG 349 Ca 0.03 -0.80 0.00 0.00 -0.52 0.00 0.00 55.73 54.43 3ktq s ARG 349 Cb -0.21 -2.62 0.00 0.00 0.52 0.00 0.00 34.95 32.64 3ktq s ARG 349 CO 0.05 -0.18 0.00 0.41 0.02 0.00 0.00 175.30 175.60 3ktq n GLY 350 N 4.58 0.13 3.63 -3.53 0.00 -0.55 0.72 105.19 110.18 3ktq n GLY 350 Ca -0.20 -1.60 -0.49 0.00 0.00 0.00 0.00 46.02 43.72 3ktq n GLY 350 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ktq n LEU 351 N 0.00 2.41 -3.65 0.99 7.99 -1.26 -2.01 117.00 121.47 3ktq n LEU 351 Ca 0.00 1.10 -0.22 0.00 -0.01 0.00 0.00 56.01 56.88 3ktq n LEU 351 Cb 0.00 -1.32 0.06 0.00 -0.11 0.00 0.00 43.42 42.05 3ktq n LEU 351 CO 0.00 -0.65 0.07 0.18 -1.51 0.00 0.00 177.39 175.48 3ktq n LEU 352 N 2.97 -3.32 0.04 2.23 4.77 -1.26 -4.91 117.00 117.52 3ktq n LEU 352 Ca 0.18 -0.70 -0.11 0.00 -0.03 0.00 0.00 56.01 55.34 3ktq n LEU 352 Cb 0.24 -2.84 -0.05 0.00 -2.33 0.00 0.00 43.42 38.44 3ktq n LEU 352 CO 0.63 0.46 0.81 0.00 -1.33 0.00 0.00 177.39 177.96 3ktq h ALA 353 N 0.92 -0.06 -0.98 -1.18 0.00 -1.70 -2.35 119.26 113.92 3ktq h ALA 353 Ca -0.59 0.02 0.23 0.00 0.00 0.00 0.00 54.91 54.56 3ktq h ALA 353 Cb 1.36 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 19.22 3ktq h ALA 353 CO 0.57 -0.56 0.63 -0.22 0.00 0.00 0.00 179.25 179.67 3ktq h LYS 354 N -0.13 0.42 -0.19 0.00 3.64 -1.88 -1.79 116.57 116.65 3ktq h LYS 354 Ca 0.04 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3ktq h LYS 354 Cb 0.18 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3ktq h LYS 354 CO -0.10 0.28 0.07 -0.44 -2.27 0.00 0.00 179.45 176.98 3ktq h ASP 355 N 0.43 0.27 0.90 4.20 5.19 -1.80 -0.12 116.42 125.48 3ktq h ASP 355 Ca 0.53 -0.18 -0.05 0.00 -0.62 0.00 0.00 57.03 56.71 3ktq h ASP 355 Cb 1.30 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.73 3ktq h ASP 355 CO -0.24 0.37 -0.24 0.25 -3.12 0.00 0.00 179.24 176.27 3ktq h LEU 356 N 0.14 0.00 -0.50 1.55 5.85 -1.36 -2.32 115.31 118.68 3ktq h LEU 356 Ca 0.06 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 3ktq h LEU 356 Cb 0.20 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 3ktq h LEU 356 CO -0.00 0.24 -0.20 -1.28 -0.34 0.00 0.00 178.44 176.86 3ktq h SER 357 N 0.00 0.00 0.13 1.25 0.87 -0.91 -0.51 113.55 114.38 3ktq h SER 357 Ca -0.00 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.28 3ktq h SER 357 Cb 0.75 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.73 3ktq h SER 357 CO 0.03 0.20 -1.12 0.58 -0.53 0.00 0.00 176.83 175.99 3ktq h VAL 358 N 0.00 1.31 -0.50 2.23 2.07 -0.48 -2.06 116.25 118.81 3ktq h VAL 358 Ca -0.00 -2.39 -0.03 0.00 0.82 0.00 0.00 66.70 65.09 3ktq h VAL 358 Cb 0.97 2.53 -0.02 0.00 -1.52 0.00 0.00 31.29 33.25 3ktq h VAL 358 CO 0.03 0.73 0.18 0.25 0.02 0.00 0.00 177.57 178.78 3ktq h LEU 359 N 0.31 0.71 -0.05 2.57 6.46 -1.28 -0.01 115.31 124.03 3ktq h LEU 359 Ca -0.15 -0.18 0.02 0.00 -0.12 0.00 0.00 57.88 57.45 3ktq h LEU 359 Cb 1.78 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 41.50 3ktq h LEU 359 CO 0.21 0.70 -0.08 0.00 -0.62 0.00 0.00 178.44 178.65 3ktq h ALA 360 N 1.03 -0.04 -0.95 1.25 0.00 -1.07 0.24 119.26 119.72 3ktq h ALA 360 Ca 0.17 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3ktq h ALA 360 Cb 0.23 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 3ktq h ALA 360 CO -0.01 -0.56 0.63 -0.07 0.00 0.00 0.00 179.25 179.24 3ktq h LEU 361 N -0.12 1.06 -1.97 0.00 3.38 -1.07 0.19 115.31 116.78 3ktq h LEU 361 Ca 0.05 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3ktq h LEU 361 Cb 0.19 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 3ktq h LEU 361 CO -0.12 0.75 -0.10 -0.09 0.09 0.00 0.00 178.44 178.97 3ktq h ARG 362 N 1.24 0.00 -0.64 1.13 2.43 0.14 -1.75 114.38 116.93 3ktq h ARG 362 Ca 0.36 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 3ktq h ARG 362 Cb -0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 3ktq h ARG 362 CO -0.09 0.10 0.00 -1.91 -1.51 0.00 0.00 179.97 176.56 3ktq n GLU 363 N -3.64 2.56 -0.52 0.20 4.07 0.46 -4.94 120.64 118.83 3ktq n GLU 363 Ca -0.02 -2.42 0.00 0.00 -0.06 0.00 0.00 57.16 54.67 3ktq n GLU 363 Cb 0.22 -1.53 0.00 0.00 -0.06 0.00 0.00 31.44 30.07 3ktq n GLU 363 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3ktq n GLY 364 N 1.57 0.76 3.83 8.31 0.00 -0.66 -5.04 105.19 113.96 3ktq n GLY 364 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 3ktq n GLY 364 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ktq s LEU 365 N 0.00 4.35 -1.24 0.99 1.02 -0.05 -4.96 118.68 118.78 3ktq s LEU 365 Ca 0.00 0.48 -0.06 0.00 0.02 0.00 0.00 54.13 54.57 3ktq s LEU 365 Cb 0.00 -2.17 0.19 0.00 0.02 0.00 0.00 46.19 44.23 3ktq s LEU 365 CO 0.00 0.32 2.02 0.61 0.02 0.00 0.00 176.35 179.32 3ktq n GLY 366 N 2.41 5.15 3.46 -3.19 0.00 -1.26 -2.52 105.19 109.24 3ktq n GLY 366 Ca -0.18 -2.21 -0.43 0.00 0.00 0.00 0.00 46.02 43.20 3ktq n GLY 366 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ktq s LEU 367 N -1.74 4.57 0.36 0.99 2.96 -1.26 -4.99 118.68 119.57 3ktq s LEU 367 Ca 0.44 -0.85 -0.23 0.00 -0.22 0.00 0.00 54.13 53.27 3ktq s LEU 367 Cb 0.13 -2.52 -0.10 0.00 0.50 0.00 0.00 46.19 44.20 3ktq s LEU 367 CO -0.03 -1.21 0.92 -2.16 -1.32 0.00 0.00 176.35 172.54 3ktq s PRO 368 N 3.53 4.39 0.11 0.98 0.04 -1.26 -4.54 135.00 138.24 3ktq s PRO 368 Ca 0.21 1.17 -0.25 0.00 0.04 0.00 0.00 61.00 62.18 3ktq s PRO 368 Cb -0.17 -2.54 -0.07 0.00 0.04 0.00 0.00 34.50 31.76 3ktq s PRO 368 CO 0.13 0.16 0.77 -1.25 0.04 0.00 0.00 177.00 176.84 3ktq s PRO 369 N -2.55 4.53 0.00 0.56 0.04 -1.26 -1.33 135.00 134.98 3ktq s PRO 369 Ca 0.55 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.70 3ktq s PRO 369 Cb -0.14 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.09 3ktq s PRO 369 CO 0.19 0.45 0.00 0.41 0.04 0.00 0.00 177.00 178.09 3ktq n GLY 370 N 1.93 2.79 3.61 0.56 0.00 0.78 -4.62 105.19 110.25 3ktq n GLY 370 Ca -0.04 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 3ktq n GLY 370 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ktq n ASP 371 N 0.00 1.31 -3.37 1.61 8.00 -1.26 -4.83 116.55 118.01 3ktq n ASP 371 Ca 0.00 1.04 -0.10 0.00 0.71 0.00 0.00 54.79 56.44 3ktq n ASP 371 Cb 0.00 -1.36 -0.09 0.00 -0.02 0.00 0.00 41.12 39.66 3ktq n ASP 371 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ktq s ASP 372 N -0.73 0.35 0.58 -2.24 -1.08 -1.26 -1.48 116.67 110.81 3ktq s ASP 372 Ca 0.63 0.20 0.29 0.00 -0.52 0.00 0.00 52.55 53.15 3ktq s ASP 372 Cb -0.56 1.04 1.45 0.00 -1.46 0.00 0.00 42.92 43.40 3ktq s ASP 372 CO 0.57 -0.30 1.86 1.55 0.52 0.00 0.00 175.17 179.37 3ktq h PRO 373 N 8.20 0.00 -0.62 4.34 0.13 -1.89 0.13 132.00 142.28 3ktq h PRO 373 Ca -0.19 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.91 3ktq h PRO 373 Cb 1.15 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 3ktq h PRO 373 CO 0.27 0.00 0.29 0.52 -0.23 0.00 0.00 178.00 178.85 3ktq h MET 374 N 0.00 0.88 -0.23 0.86 2.86 -1.96 -0.02 114.93 117.32 3ktq h MET 374 Ca 0.27 -0.12 -0.09 0.00 -2.06 0.00 0.00 59.70 57.70 3ktq h MET 374 Cb 1.37 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.86 3ktq h MET 374 CO -0.00 0.69 -0.21 -0.07 1.06 0.00 0.00 176.91 178.38 3ktq h LEU 375 N 0.88 0.57 -0.05 1.22 3.38 -1.36 0.35 115.31 120.29 3ktq h LEU 375 Ca 0.22 -0.47 0.02 0.00 0.09 0.00 0.00 57.88 57.74 3ktq h LEU 375 Cb 0.10 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3ktq h LEU 375 CO -0.03 0.92 -0.06 -0.07 0.09 0.00 0.00 178.44 179.29 3ktq h LEU 376 N 0.23 -0.19 -0.47 1.67 3.38 -1.40 -0.32 115.31 118.21 3ktq h LEU 376 Ca 0.04 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 3ktq h LEU 376 Cb 0.75 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 3ktq h LEU 376 CO 0.05 -0.09 -0.00 0.00 0.09 0.00 0.00 178.44 178.49 3ktq h ALA 377 N 0.95 0.63 -0.79 1.53 0.00 -0.98 -1.99 119.26 118.62 3ktq h ALA 377 Ca 0.04 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 54.75 3ktq h ALA 377 Cb 0.15 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 3ktq h ALA 377 CO -0.10 0.44 0.51 -0.92 0.00 0.00 0.00 179.25 179.18 3ktq h TYR 378 N 0.68 0.84 -0.10 0.00 3.20 -0.01 -0.31 116.97 121.28 3ktq h TYR 378 Ca 0.13 0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.86 3ktq h TYR 378 Cb 0.51 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 3ktq h TYR 378 CO 0.04 0.43 -0.66 -0.07 -1.64 0.00 0.00 178.16 176.26 3ktq h LEU 379 N 0.82 0.47 -0.59 2.82 3.38 -0.76 -2.18 115.31 119.27 3ktq h LEU 379 Ca 0.35 -0.28 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 3ktq h LEU 379 Cb 0.29 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3ktq h LEU 379 CO -0.12 1.00 -0.22 -0.07 0.09 0.00 0.00 178.44 179.11 3ktq h LEU 380 N 0.29 0.91 -6.14 1.67 3.38 -0.44 -3.41 115.31 111.56 3ktq h LEU 380 Ca -0.02 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.63 3ktq h LEU 380 Cb 1.21 -0.25 -0.24 0.00 0.09 0.00 0.00 40.66 41.47 3ktq h LEU 380 CO 0.11 1.09 -0.34 -0.62 0.09 0.00 0.00 178.44 178.78 3ktq s ASP 381 N -6.74 -0.88 0.00 -0.43 -1.08 -0.26 -4.94 116.67 102.34 3ktq s ASP 381 Ca -0.10 0.67 0.01 0.00 -0.52 0.00 0.00 52.55 52.61 3ktq s ASP 381 Cb 0.13 1.84 0.06 0.00 -1.46 0.00 0.00 42.92 43.49 3ktq s ASP 381 CO 0.85 -0.27 0.67 -0.81 0.52 0.00 0.00 175.17 176.13 3ktq n PRO 382 N 5.41 0.03 -0.01 4.34 -0.04 -0.82 -0.44 135.00 143.45 3ktq n PRO 382 Ca -0.02 0.12 0.13 0.00 -0.04 0.00 0.00 63.50 63.69 3ktq n PRO 382 Cb 0.51 -1.50 0.64 0.00 -0.04 0.00 0.00 33.50 33.10 3ktq n PRO 382 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3ktq n SER 383 N -1.12 0.79 -4.39 3.54 3.41 -1.26 -4.49 113.62 110.10 3ktq n SER 383 Ca 0.01 -1.37 -0.45 0.00 -0.26 0.00 0.00 58.87 56.80 3ktq n SER 383 Cb 0.01 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 63.90 3ktq n SER 383 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3ktq s ASN 384 N -1.85 6.45 0.00 4.04 0.01 0.41 -4.82 114.94 119.19 3ktq s ASN 384 Ca 0.38 -1.91 0.00 0.00 -0.71 0.00 0.00 52.86 50.63 3ktq s ASN 384 Cb 0.19 -2.31 0.00 0.00 0.41 0.00 0.00 41.25 39.54 3ktq s ASN 384 CO 0.31 -0.98 0.06 0.35 -1.51 0.00 0.00 177.10 175.33 3ktq n THR 385 N 5.16 0.00 -4.21 1.60 -2.24 -1.26 -4.20 114.28 109.13 3ktq n THR 385 Ca 0.06 -0.50 -0.19 0.00 -2.27 0.00 0.00 64.05 61.15 3ktq n THR 385 Cb 0.46 1.00 -0.12 0.00 -2.10 0.00 0.00 70.33 69.57 3ktq n THR 385 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3ktq s THR 386 N -0.89 1.28 0.16 4.28 -4.23 -1.26 -4.81 115.64 110.17 3ktq s THR 386 Ca 0.00 -1.47 -0.15 0.00 -1.18 0.00 0.00 61.69 58.89 3ktq s THR 386 Cb 0.00 -1.29 0.03 0.00 1.34 0.00 0.00 72.50 72.58 3ktq s THR 386 CO 0.00 -0.26 1.79 1.55 -0.54 0.00 0.00 174.62 177.16 3ktq h PRO 387 N 4.02 0.61 -0.76 3.99 0.13 -1.98 -1.30 132.00 136.71 3ktq h PRO 387 Ca -0.41 -0.05 0.12 0.00 -0.87 0.00 0.00 66.00 64.79 3ktq h PRO 387 Cb 1.19 -0.13 -0.13 0.00 0.13 0.00 0.00 31.00 32.06 3ktq h PRO 387 CO 0.43 0.45 -0.36 0.93 -0.23 0.00 0.00 178.00 179.22 3ktq h GLU 388 N 0.60 -0.09 -0.11 0.86 3.07 -1.95 0.25 114.58 117.21 3ktq h GLU 388 Ca 0.16 0.01 -0.21 0.00 -0.50 0.00 0.00 59.36 58.82 3ktq h GLU 388 Cb -0.01 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 3ktq h GLU 388 CO -0.03 -0.06 -0.77 0.78 -1.40 0.00 0.00 179.01 177.53 3ktq h GLY 389 N -0.10 0.65 1.66 -3.84 0.00 -1.93 -2.14 103.07 97.38 3ktq h GLY 389 Ca 0.28 -0.93 -0.06 0.00 0.00 0.00 0.00 47.33 46.62 3ktq h GLY 389 CO -0.81 0.83 -0.08 -2.08 0.00 0.00 0.00 176.54 174.40 3ktq h VAL 390 N 0.39 1.20 -0.14 4.60 2.07 -0.33 0.95 116.25 125.00 3ktq h VAL 390 Ca -0.05 -0.85 -0.19 0.00 0.82 0.00 0.00 66.70 66.44 3ktq h VAL 390 Cb 1.38 1.09 0.01 0.00 -1.52 0.00 0.00 31.29 32.24 3ktq h VAL 390 CO 0.15 0.28 -0.64 0.00 0.02 0.00 0.00 177.57 177.38 3ktq h ALA 391 N 1.53 0.27 -0.13 1.67 0.00 -0.48 0.30 119.26 122.42 3ktq h ALA 391 Ca 0.08 -0.55 -0.14 0.00 0.00 0.00 0.00 54.91 54.30 3ktq h ALA 391 Cb 0.39 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3ktq h ALA 391 CO 0.02 0.54 -0.51 0.07 0.00 0.00 0.00 179.25 179.37 3ktq h ARG 392 N 0.36 0.35 0.00 0.00 0.11 -1.14 0.16 114.38 114.22 3ktq h ARG 392 Ca -0.04 -0.20 -0.13 0.00 0.10 0.00 0.00 59.98 59.71 3ktq h ARG 392 Cb 1.27 0.02 -0.02 0.00 1.11 0.00 0.00 29.97 32.35 3ktq h ARG 392 CO 0.13 0.78 -0.69 -0.09 0.10 0.00 0.00 179.97 180.20 3ktq h ARG 393 N 0.27 0.00 -0.08 0.08 2.43 -0.77 -3.38 114.38 112.93 3ktq h ARG 393 Ca 0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3ktq h ARG 393 Cb 0.99 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 3ktq h ARG 393 CO 0.08 0.53 0.00 0.66 -1.51 0.00 0.00 179.97 179.74 3ktq n TYR 394 N -3.19 0.14 0.00 2.20 4.01 0.09 -5.02 117.16 115.39 3ktq n TYR 394 Ca 0.00 -0.60 0.00 0.00 -0.16 0.00 0.00 57.90 57.15 3ktq n TYR 394 Cb 0.77 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.73 3ktq n TYR 394 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ktq n GLY 395 N -0.44 0.97 0.00 2.72 0.00 -0.75 -4.79 105.19 102.91 3ktq n GLY 395 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3ktq n GLY 395 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ktq n GLY 396 N 0.00 -1.39 2.89 -0.02 0.00 0.48 -4.79 105.19 102.37 3ktq n GLY 396 Ca 0.00 -1.10 -0.18 0.00 0.00 0.00 0.00 46.02 44.74 3ktq n GLY 396 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ktq s GLU 397 N -1.40 0.62 -0.39 1.61 2.12 -1.26 -3.16 118.70 116.84 3ktq s GLU 397 Ca 0.00 -0.09 -0.29 0.00 0.36 0.00 0.00 54.97 54.95 3ktq s GLU 397 Cb 0.00 -0.65 0.02 0.00 0.26 0.00 0.00 34.13 33.76 3ktq s GLU 397 CO 0.00 -0.04 1.15 -0.46 -0.54 0.00 0.00 175.26 175.37 3ktq s TRP 398 N 0.67 2.91 0.00 5.30 -0.11 -1.26 -4.96 118.94 121.49 3ktq s TRP 398 Ca -0.08 0.93 0.00 0.00 1.22 0.00 0.00 56.10 58.17 3ktq s TRP 398 Cb -0.11 -4.05 0.00 0.00 -1.50 0.00 0.00 33.47 27.80 3ktq s TRP 398 CO -0.00 -1.16 0.00 0.25 -4.62 0.00 0.00 176.95 171.42 3ktq n THR 399 N 6.37 0.00 0.54 5.86 -2.24 -1.26 -4.97 114.28 118.59 3ktq n THR 399 Ca 0.13 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.98 3ktq n THR 399 Cb 0.48 -0.42 0.07 0.00 -2.10 0.00 0.00 70.33 68.35 3ktq n THR 399 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ktq n GLU 400 N -0.29 1.06 -3.32 -0.78 -0.58 -1.26 -4.92 120.64 110.55 3ktq n GLU 400 Ca 0.00 -1.39 -0.38 0.00 -0.42 0.00 0.00 57.16 54.97 3ktq n GLU 400 Cb 0.00 -1.27 -0.07 0.00 -0.57 0.00 0.00 31.44 29.53 3ktq n GLU 400 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3ktq s GLU 401 N -1.17 4.22 0.23 3.49 -6.30 -1.26 -4.86 118.70 113.05 3ktq s GLU 401 Ca 0.17 0.33 -0.08 0.00 -2.50 0.00 0.00 54.97 52.89 3ktq s GLU 401 Cb 0.12 -3.52 0.24 0.00 0.00 0.00 0.00 34.13 30.97 3ktq s GLU 401 CO 0.18 -0.03 1.87 0.00 0.02 0.00 0.00 175.26 177.30 3ktq h ALA 402 N 7.26 1.08 -0.38 6.30 0.00 -1.87 -1.38 119.26 130.27 3ktq h ALA 402 Ca -0.36 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.55 3ktq h ALA 402 Cb 1.16 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 3ktq h ALA 402 CO 0.73 0.36 0.17 0.78 0.00 0.00 0.00 179.25 181.29 3ktq h GLY 403 N 1.03 0.51 1.84 0.00 0.00 -1.91 0.23 103.07 104.76 3ktq h GLY 403 Ca 0.33 -0.11 -0.06 0.00 0.00 0.00 0.00 47.33 47.49 3ktq h GLY 403 CO -0.11 0.07 -0.20 0.83 0.00 0.00 0.00 176.54 177.13 3ktq h GLU 404 N 0.34 0.19 -0.47 4.80 5.08 -1.89 -1.33 114.58 121.31 3ktq h GLU 404 Ca 0.17 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.37 3ktq h GLU 404 Cb 0.11 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3ktq h GLU 404 CO -0.14 0.39 -0.14 0.00 -1.00 0.00 0.00 179.01 178.12 3ktq h ARG 405 N 0.18 0.88 -0.26 2.33 3.08 0.01 0.17 114.38 120.77 3ktq h ARG 405 Ca 0.03 -0.33 -0.10 0.00 0.07 0.00 0.00 59.98 59.66 3ktq h ARG 405 Cb 0.46 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 3ktq h ARG 405 CO 0.03 0.97 -0.23 0.00 -1.07 0.00 0.00 179.97 179.66 3ktq h ALA 406 N 1.05 0.38 0.19 0.04 0.00 -0.08 -1.43 119.26 119.41 3ktq h ALA 406 Ca 0.12 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3ktq h ALA 406 Cb 0.67 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3ktq h ALA 406 CO 0.05 0.35 -0.09 0.00 0.00 0.00 0.00 179.25 179.55 3ktq h ALA 407 N 0.69 -0.25 -0.97 0.00 0.00 -1.10 -2.60 119.26 115.03 3ktq h ALA 407 Ca 0.04 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 54.99 3ktq h ALA 407 Cb 0.79 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.60 3ktq h ALA 407 CO 0.06 -0.61 0.62 1.25 0.00 0.00 0.00 179.25 180.56 3ktq h LEU 408 N -0.31 0.87 -0.41 0.00 5.85 -0.62 -1.76 115.31 118.92 3ktq h LEU 408 Ca -0.03 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 3ktq h LEU 408 Cb 0.24 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3ktq h LEU 408 CO 0.04 0.47 0.21 0.28 -0.34 0.00 0.00 178.44 179.10 3ktq h SER 409 N 0.94 0.53 0.60 1.25 0.02 -1.04 0.45 113.55 116.30 3ktq h SER 409 Ca 0.47 -0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 61.28 3ktq h SER 409 Cb 0.50 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.90 3ktq h SER 409 CO -0.24 0.50 -0.34 -0.08 -1.14 0.00 0.00 176.83 175.53 3ktq h GLU 410 N 0.53 -0.84 -0.68 3.45 4.81 -0.98 0.12 114.58 120.99 3ktq h GLU 410 Ca 0.14 0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.36 3ktq h GLU 410 Cb 0.10 0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 3ktq h GLU 410 CO -0.02 -0.56 0.13 0.07 -0.73 0.00 0.00 179.01 177.90 3ktq h ARG 411 N -0.88 1.10 -0.53 1.92 0.11 -1.28 -1.62 114.38 113.20 3ktq h ARG 411 Ca -0.08 -0.28 -0.03 0.00 0.10 0.00 0.00 59.98 59.69 3ktq h ARG 411 Cb 0.70 -0.14 -0.02 0.00 1.11 0.00 0.00 29.97 31.62 3ktq h ARG 411 CO 0.09 0.99 0.21 -0.07 0.10 0.00 0.00 179.97 181.30 3ktq h LEU 412 N 1.04 0.74 -0.98 0.08 3.38 0.02 -2.19 115.31 117.39 3ktq h LEU 412 Ca 0.21 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 3ktq h LEU 412 Cb 0.41 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3ktq h LEU 412 CO 0.01 0.71 0.05 0.15 0.09 0.00 0.00 178.44 179.45 3ktq h PHE 413 N 0.72 0.83 0.37 1.13 3.57 -0.54 -1.61 116.94 121.42 3ktq h PHE 413 Ca 0.18 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 3ktq h PHE 413 Cb 0.21 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.72 3ktq h PHE 413 CO 0.01 0.74 -0.18 0.00 -2.23 0.00 0.00 178.31 176.65 3ktq h ALA 414 N 1.31 -0.50 0.41 2.41 0.00 -0.99 0.64 119.26 122.53 3ktq h ALA 414 Ca 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3ktq h ALA 414 Cb 0.38 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3ktq h ALA 414 CO 0.01 -0.77 -0.42 -0.97 0.00 0.00 0.00 179.25 177.10 3ktq h ASN 415 N -0.52 -1.16 -0.78 0.00 -1.24 -1.23 -1.99 115.58 108.67 3ktq h ASN 415 Ca -0.05 0.09 0.10 0.00 0.71 0.00 0.00 56.30 57.16 3ktq h ASN 415 Cb 0.40 0.38 -0.05 0.00 0.73 0.00 0.00 38.32 39.77 3ktq h ASN 415 CO 0.08 -0.55 0.51 -0.07 -1.29 0.00 0.00 177.43 176.12 3ktq h LEU 416 N -0.83 0.61 -0.84 0.34 3.38 -1.32 0.42 115.31 117.07 3ktq h LEU 416 Ca -0.05 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 3ktq h LEU 416 Cb 0.72 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 3ktq h LEU 416 CO -0.06 0.36 0.12 -0.25 0.09 0.00 0.00 178.44 178.70 3ktq h TRP 417 N 0.67 1.03 -0.18 1.13 2.91 -0.64 -2.02 115.95 118.86 3ktq h TRP 417 Ca 0.36 -0.12 0.01 0.00 1.13 0.00 0.00 58.89 60.27 3ktq h TRP 417 Cb 0.51 -0.29 -0.01 0.00 -0.51 0.00 0.00 29.16 28.85 3ktq h TRP 417 CO -0.00 0.86 0.08 0.78 -1.03 0.00 0.00 178.44 179.14 3ktq h GLY 418 N 1.03 0.23 0.99 2.65 0.00 -0.18 -2.20 103.07 105.60 3ktq h GLY 418 Ca 0.19 -0.06 0.14 0.00 0.00 0.00 0.00 47.33 47.61 3ktq h GLY 418 CO 0.01 0.05 0.37 3.21 0.00 0.00 0.00 176.54 180.17 3ktq h ARG 419 N 0.18 0.00 0.00 4.80 3.08 -0.65 -0.15 114.38 121.64 3ktq h ARG 419 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3ktq h ARG 419 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3ktq h ARG 419 CO -0.05 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.13 3ktq n LEU 420 N -4.27 0.00 -4.63 3.04 4.77 -0.82 -4.80 117.00 110.28 3ktq n LEU 420 Ca 0.09 0.36 -0.43 0.00 -0.03 0.00 0.00 56.01 56.00 3ktq n LEU 420 Cb 0.58 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 3ktq n LEU 420 CO 0.35 -0.01 1.62 -1.61 -1.33 0.00 0.00 177.39 176.42 3ktq s GLU 421 N -2.72 3.70 0.00 3.23 0.41 -0.07 -1.13 118.70 122.12 3ktq s GLU 421 Ca 0.23 2.16 0.00 0.00 -0.41 0.00 0.00 54.97 56.95 3ktq s GLU 421 Cb 0.19 -4.20 0.00 0.00 -1.78 0.00 0.00 34.13 28.34 3ktq s GLU 421 CO 0.48 -1.44 0.00 0.41 -0.49 0.00 0.00 175.26 174.22 3ktq n GLY 422 N 4.98 0.21 2.61 -1.39 0.00 -1.26 -4.96 105.19 105.38 3ktq n GLY 422 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 3ktq n GLY 422 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ktq n GLU 423 N -1.78 5.19 -0.40 1.61 -0.58 -0.28 -4.81 120.64 119.58 3ktq n GLU 423 Ca 0.00 -4.34 0.37 0.00 -0.42 0.00 0.00 57.16 52.77 3ktq n GLU 423 Cb 0.00 -2.52 0.72 0.00 -0.57 0.00 0.00 31.44 29.07 3ktq n GLU 423 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 3ktq h GLU 424 N 4.36 0.07 0.03 3.49 4.11 -1.93 0.27 114.58 124.97 3ktq h GLU 424 Ca 0.57 -0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.81 3ktq h GLU 424 Cb 0.33 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 29.58 3ktq h GLU 424 CO 1.27 0.04 -0.75 0.00 0.07 0.00 0.00 179.01 179.64 3ktq h ARG 425 N 0.07 0.47 -0.36 1.06 2.47 -1.90 -0.87 114.38 115.32 3ktq h ARG 425 Ca 0.66 -0.54 -0.14 0.00 -1.26 0.00 0.00 59.98 58.71 3ktq h ARG 425 Cb 2.45 0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 30.92 3ktq h ARG 425 CO -0.10 1.18 -0.34 -0.07 0.56 0.00 0.00 179.97 181.21 3ktq h LEU 426 N -0.02 0.85 -0.88 3.04 3.38 -1.22 -1.13 115.31 119.33 3ktq h LEU 426 Ca -0.10 -0.36 -0.04 0.00 0.09 0.00 0.00 57.88 57.47 3ktq h LEU 426 Cb 1.47 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.94 3ktq h LEU 426 CO 0.15 1.11 0.34 -0.07 0.09 0.00 0.00 178.44 180.06 3ktq h LEU 427 N 0.67 1.06 -0.03 1.67 3.38 -0.60 0.18 115.31 121.64 3ktq h LEU 427 Ca 0.07 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3ktq h LEU 427 Cb 0.89 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 3ktq h LEU 427 CO 0.08 0.92 0.01 -0.25 0.09 0.00 0.00 178.44 179.29 3ktq h TRP 428 N 1.14 0.05 -0.73 1.13 7.01 -0.84 0.32 115.95 124.04 3ktq h TRP 428 Ca 0.27 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.25 3ktq h TRP 428 Cb 0.17 -0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 27.18 3ktq h TRP 428 CO 0.02 0.18 0.39 -0.07 -2.79 0.00 0.00 178.44 176.17 3ktq h LEU 429 N -0.10 0.91 0.88 0.65 3.38 -0.89 0.72 115.31 120.87 3ktq h LEU 429 Ca 0.01 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 3ktq h LEU 429 Cb 0.15 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.68 3ktq h LEU 429 CO -0.00 0.75 -0.42 0.22 0.09 0.00 0.00 178.44 179.08 3ktq h TYR 430 N 1.00 -1.09 -0.51 1.13 3.20 -0.51 0.96 116.97 121.15 3ktq h TYR 430 Ca 0.25 -0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.99 3ktq h TYR 430 Cb 0.04 0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.66 3ktq h TYR 430 CO -0.00 -0.68 -0.12 0.00 -1.64 0.00 0.00 178.16 175.72 3ktq h ARG 431 N -1.32 0.96 0.00 1.82 3.08 -0.87 0.07 114.38 118.13 3ktq h ARG 431 Ca -0.12 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 59.57 3ktq h ARG 431 Cb 0.90 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.89 3ktq h ARG 431 CO 0.20 1.02 -1.04 0.39 -1.07 0.00 0.00 179.97 179.47 3ktq n GLU 432 N -4.14 0.56 0.01 0.04 -0.58 0.25 -4.51 120.64 112.27 3ktq n GLU 432 Ca 0.01 0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 3ktq n GLU 432 Cb 0.40 -1.78 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 3ktq n GLU 432 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3ktq n VAL 433 N -2.55 0.20 0.48 2.62 0.31 0.11 -4.84 118.33 114.67 3ktq n VAL 433 Ca 0.00 0.07 -0.20 0.00 -0.01 0.00 0.00 64.34 64.19 3ktq n VAL 433 Cb 0.53 -0.99 -0.10 0.00 -0.91 0.00 0.00 33.84 32.37 3ktq n VAL 433 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3ktq h GLU 434 N 0.00 -1.24 -0.30 5.55 4.39 -0.86 0.17 114.58 122.30 3ktq h GLU 434 Ca 0.00 0.08 0.07 0.00 0.34 0.00 0.00 59.36 59.85 3ktq h GLU 434 Cb 0.00 0.28 -0.08 0.00 -0.10 0.00 0.00 28.75 28.85 3ktq h GLU 434 CO 0.00 -0.83 -0.25 -0.09 -1.16 0.00 0.00 179.01 176.69 3ktq h ARG 435 N -1.29 -0.22 -0.37 2.33 2.43 -1.22 0.13 114.38 116.17 3ktq h ARG 435 Ca -0.12 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 58.97 3ktq h ARG 435 Cb 1.01 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.59 3ktq h ARG 435 CO 0.16 -0.15 -0.15 -1.00 -1.51 0.00 0.00 179.97 177.33 3ktq h PRO 436 N -0.23 0.67 -0.66 0.20 0.13 -1.77 -2.76 132.00 127.59 3ktq h PRO 436 Ca 0.16 -0.23 -0.02 0.00 -0.87 0.00 0.00 66.00 65.04 3ktq h PRO 436 Cb 0.47 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 31.51 3ktq h PRO 436 CO -0.43 0.79 0.34 1.25 -0.23 0.00 0.00 178.00 179.72 3ktq h LEU 437 N 0.61 0.83 -1.12 1.56 5.85 0.44 -1.93 115.31 121.55 3ktq h LEU 437 Ca 0.10 -0.07 0.13 0.00 0.84 0.00 0.00 57.88 58.88 3ktq h LEU 437 Cb 0.60 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.34 3ktq h LEU 437 CO 0.04 0.68 0.61 0.77 -0.34 0.00 0.00 178.44 180.20 3ktq h SER 438 N 0.92 0.82 -0.35 1.25 4.64 -0.49 0.28 113.55 120.63 3ktq h SER 438 Ca 0.23 0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.56 3ktq h SER 438 Cb 0.06 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 3ktq h SER 438 CO -0.03 0.42 0.08 0.00 -0.87 0.00 0.00 176.83 176.43 3ktq h ALA 439 N 1.57 0.46 -0.20 5.18 0.00 -1.38 -2.23 119.26 122.65 3ktq h ALA 439 Ca 0.48 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.23 3ktq h ALA 439 Cb 0.59 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3ktq h ALA 439 CO -0.25 0.13 0.06 0.28 0.00 0.00 0.00 179.25 179.47 3ktq h VAL 440 N 0.41 0.93 -0.51 0.00 2.07 -0.51 -2.24 116.25 116.40 3ktq h VAL 440 Ca 0.11 -0.05 0.07 0.00 0.82 0.00 0.00 66.70 67.65 3ktq h VAL 440 Cb 0.31 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 3ktq h VAL 440 CO 0.00 0.03 0.34 -0.07 0.02 0.00 0.00 177.57 177.89 3ktq h LEU 441 N 0.15 0.37 -0.27 2.57 3.38 -0.39 -1.76 115.31 119.35 3ktq h LEU 441 Ca 0.09 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 3ktq h LEU 441 Cb 0.07 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3ktq h LEU 441 CO -0.10 0.24 -0.07 0.00 0.09 0.00 0.00 178.44 178.59 3ktq h ALA 442 N 1.73 0.38 -0.74 1.53 0.00 -0.81 -0.30 119.26 121.05 3ktq h ALA 442 Ca 0.22 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3ktq h ALA 442 Cb 0.36 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3ktq h ALA 442 CO -0.06 0.20 0.27 0.45 0.00 0.00 0.00 179.25 180.10 3ktq h HIS 443 N 0.28 1.16 -0.14 0.00 3.86 -1.13 -0.53 115.15 118.64 3ktq h HIS 443 Ca 0.07 -0.10 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 3ktq h HIS 443 Cb 0.55 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 3ktq h HIS 443 CO 0.05 0.89 0.08 0.52 0.86 0.00 0.00 177.93 180.34 3ktq h MET 444 N 1.09 0.20 -0.57 2.45 2.07 -1.17 0.47 114.93 119.47 3ktq h MET 444 Ca 0.25 -0.02 -0.02 0.00 -2.07 0.00 0.00 59.70 57.83 3ktq h MET 444 Cb 0.25 -0.04 -0.03 0.00 -1.87 0.00 0.00 31.60 29.92 3ktq h MET 444 CO -0.01 0.19 0.27 0.93 1.07 0.00 0.00 176.91 179.36 3ktq h GLU 445 N 0.15 0.82 -0.58 1.72 5.08 -0.75 -1.83 114.58 119.18 3ktq h GLU 445 Ca 0.05 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 3ktq h GLU 445 Cb 0.05 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 3ktq h GLU 445 CO -0.01 0.67 0.06 0.00 -1.00 0.00 0.00 179.01 178.73 3ktq h ALA 446 N 1.11 0.78 0.75 3.43 0.00 -0.95 -3.28 119.26 121.09 3ktq h ALA 446 Ca 0.19 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3ktq h ALA 446 Cb 0.12 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.70 3ktq h ALA 446 CO -0.02 0.56 -0.36 1.15 0.00 0.00 0.00 179.25 180.57 3ktq h THR 447 N 0.88 0.09 0.00 0.00 2.02 -0.72 -3.48 112.91 111.71 3ktq h THR 447 Ca 0.17 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.13 3ktq h THR 447 Cb 0.47 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 3ktq h THR 447 CO 0.02 0.01 0.00 0.61 0.37 0.00 0.00 175.52 176.53 3ktq n GLY 448 N -0.95 -2.13 2.95 2.16 0.00 -0.70 -4.90 105.19 101.61 3ktq n GLY 448 Ca -0.13 -1.53 -0.14 0.00 0.00 0.00 0.00 46.02 44.22 3ktq n GLY 448 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ktq s VAL 449 N -0.16 0.28 0.29 1.61 0.11 -0.09 -4.84 120.40 117.60 3ktq s VAL 449 Ca 0.00 -0.35 -0.28 0.00 -2.93 0.00 0.00 61.98 58.43 3ktq s VAL 449 Cb 0.00 -0.28 -0.09 0.00 -1.53 0.00 0.00 36.38 34.48 3ktq s VAL 449 CO 0.00 -0.05 0.99 -0.60 -3.33 0.00 0.00 175.10 172.11 3ktq s ARG 450 N -0.43 4.64 -0.02 1.54 3.52 -1.24 0.63 118.95 127.60 3ktq s ARG 450 Ca -0.02 1.51 0.01 0.00 -0.13 0.00 0.00 55.73 57.09 3ktq s ARG 450 Cb -0.03 -3.02 0.01 0.00 -1.56 0.00 0.00 34.95 30.35 3ktq s ARG 450 CO -0.00 0.30 -0.02 -1.17 -0.81 0.00 0.00 175.30 173.60 3ktq s LEU 451 N -1.70 1.57 -1.23 -0.88 2.96 -1.26 -1.79 118.68 116.36 3ktq s LEU 451 Ca 0.47 -0.05 -0.21 0.00 -0.22 0.00 0.00 54.13 54.12 3ktq s LEU 451 Cb -0.24 -0.20 -0.02 0.00 0.50 0.00 0.00 46.19 46.22 3ktq s LEU 451 CO 0.31 -0.03 1.85 -0.62 -1.32 0.00 0.00 176.35 176.53 3ktq s ASP 452 N 0.49 5.79 0.15 3.68 -1.08 0.56 -4.79 116.67 121.47 3ktq s ASP 452 Ca -0.05 -1.98 -0.17 0.00 -0.52 0.00 0.00 52.55 49.84 3ktq s ASP 452 Cb -0.08 -2.59 0.04 0.00 -1.46 0.00 0.00 42.92 38.83 3ktq s ASP 452 CO -0.01 -2.28 1.75 0.58 0.52 0.00 0.00 175.17 175.73 3ktq h VAL 453 N 5.95 0.90 -0.05 1.11 2.07 -1.97 -1.09 116.25 123.16 3ktq h VAL 453 Ca 0.31 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.73 3ktq h VAL 453 Cb 0.91 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3ktq h VAL 453 CO 1.32 0.04 -0.05 0.00 0.02 0.00 0.00 177.57 178.91 3ktq h ALA 454 N 1.21 1.81 -0.19 1.67 0.00 -1.99 -0.14 119.26 121.62 3ktq h ALA 454 Ca 0.15 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3ktq h ALA 454 Cb 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3ktq h ALA 454 CO -0.15 0.14 -0.05 -0.92 0.00 0.00 0.00 179.25 178.27 3ktq h TYR 455 N 0.08 0.42 -0.05 0.00 3.20 -1.62 -2.75 116.97 116.25 3ktq h TYR 455 Ca 0.02 -0.09 -0.11 0.00 3.14 0.00 0.00 58.73 61.68 3ktq h TYR 455 Cb 0.15 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 3ktq h TYR 455 CO 0.00 0.63 -0.48 -0.07 -1.64 0.00 0.00 178.16 176.60 3ktq h LEU 456 N 0.09 0.15 -0.62 2.82 3.38 -0.70 -2.02 115.31 118.41 3ktq h LEU 456 Ca 0.05 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3ktq h LEU 456 Cb 0.50 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3ktq h LEU 456 CO 0.02 0.61 0.38 -0.09 0.09 0.00 0.00 178.44 179.45 3ktq h ARG 457 N 0.11 0.83 0.03 1.13 9.65 -0.97 -1.53 114.38 123.64 3ktq h ARG 457 Ca 0.00 -0.07 -0.22 0.00 -1.10 0.00 0.00 59.98 58.59 3ktq h ARG 457 Cb 0.89 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 29.29 3ktq h ARG 457 CO 0.07 0.58 -0.98 0.00 2.80 0.00 0.00 179.97 182.44 3ktq h ALA 458 N 1.20 0.38 -0.90 2.80 0.00 -1.39 -3.17 119.26 118.18 3ktq h ALA 458 Ca 0.22 -0.78 0.05 0.00 0.00 0.00 0.00 54.91 54.41 3ktq h ALA 458 Cb -0.04 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 3ktq h ALA 458 CO -0.04 0.94 0.59 1.25 0.00 0.00 0.00 179.25 181.99 3ktq h LEU 459 N 0.11 0.92 0.52 0.00 6.46 -1.01 -2.85 115.31 119.46 3ktq h LEU 459 Ca -0.07 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.68 3ktq h LEU 459 Cb 1.65 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 41.37 3ktq h LEU 459 CO 0.15 0.61 -0.46 -1.28 -0.62 0.00 0.00 178.44 176.84 3ktq h SER 460 N 1.06 -1.25 -0.92 1.25 0.87 -1.25 -1.75 113.55 111.55 3ktq h SER 460 Ca 0.38 0.09 0.20 0.00 -1.23 0.00 0.00 61.79 61.23 3ktq h SER 460 Cb 0.14 0.40 -0.07 0.00 -0.44 0.00 0.00 62.40 62.43 3ktq h SER 460 CO -0.13 -0.63 0.60 -0.07 -0.53 0.00 0.00 176.83 176.07 3ktq h LEU 461 N -0.96 0.47 0.57 2.23 3.38 -1.61 0.41 115.31 119.79 3ktq h LEU 461 Ca -0.07 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3ktq h LEU 461 Cb 0.82 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.54 3ktq h LEU 461 CO -0.03 0.18 -0.27 -0.08 0.09 0.00 0.00 178.44 178.34 3ktq h GLU 462 N 0.47 -0.73 0.00 1.13 4.81 -1.24 -2.79 114.58 116.22 3ktq h GLU 462 Ca 0.49 0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.66 3ktq h GLU 462 Cb 1.13 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 3ktq h GLU 462 CO -0.21 -0.42 -0.50 -0.39 -0.73 0.00 0.00 179.01 176.76 3ktq h VAL 463 N -1.01 1.29 -0.87 0.32 -1.51 -0.71 -2.07 116.25 111.69 3ktq h VAL 463 Ca -0.08 -1.74 0.16 0.00 -1.23 0.00 0.00 66.70 63.80 3ktq h VAL 463 Cb 0.65 1.96 -0.07 0.00 -2.13 0.00 0.00 31.29 31.70 3ktq h VAL 463 CO 0.13 0.49 0.57 0.00 -1.23 0.00 0.00 177.57 177.52 3ktq h ALA 464 N 1.50 1.93 -0.06 5.19 0.00 -0.18 0.28 119.26 127.93 3ktq h ALA 464 Ca -0.00 0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 3ktq h ALA 464 Cb 0.92 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3ktq h ALA 464 CO 0.06 -0.18 -0.78 0.93 0.00 0.00 0.00 179.25 179.29 3ktq h GLU 465 N 0.60 0.39 -0.03 0.00 5.08 -1.09 -2.90 114.58 116.63 3ktq h GLU 465 Ca 0.44 -0.35 -0.15 0.00 -1.00 0.00 0.00 59.36 58.30 3ktq h GLU 465 Cb 0.82 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 3ktq h GLU 465 CO -0.19 1.00 -0.68 0.93 -1.00 0.00 0.00 179.01 179.06 3ktq h GLU 466 N 0.26 0.13 0.00 2.33 4.39 -0.78 -2.79 114.58 118.13 3ktq h GLU 466 Ca -0.04 -0.11 -0.10 0.00 0.34 0.00 0.00 59.36 59.45 3ktq h GLU 466 Cb 1.37 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.03 3ktq h GLU 466 CO 0.13 0.76 -0.48 0.82 -1.16 0.00 0.00 179.01 179.09 3ktq h ILE 467 N 0.09 1.28 -0.24 3.13 2.04 -0.53 -2.49 117.51 120.80 3ktq h ILE 467 Ca -0.01 -1.66 -0.13 0.00 1.00 0.00 0.00 64.86 64.05 3ktq h ILE 467 Cb 1.21 1.91 -0.00 0.00 -0.74 0.00 0.00 36.82 39.21 3ktq h ILE 467 CO 0.10 0.47 -0.37 0.00 0.00 0.00 0.00 178.15 178.34 3ktq h ALA 468 N 1.52 0.36 -0.28 1.87 0.00 -1.30 -0.38 119.26 121.05 3ktq h ALA 468 Ca -0.00 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 3ktq h ALA 468 Cb 0.87 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3ktq h ALA 468 CO 0.06 0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.76 3ktq h ARG 469 N 0.38 0.43 0.02 0.00 3.08 -1.34 0.25 114.38 117.19 3ktq h ARG 469 Ca 0.02 -0.08 -0.19 0.00 0.07 0.00 0.00 59.98 59.80 3ktq h ARG 469 Cb 0.97 -0.07 0.02 0.00 0.08 0.00 0.00 29.97 30.96 3ktq h ARG 469 CO 0.09 0.45 -0.76 -0.07 -1.07 0.00 0.00 179.97 178.61 3ktq h LEU 470 N 0.41 0.62 -0.24 3.04 3.38 -1.32 -2.43 115.31 118.78 3ktq h LEU 470 Ca 0.09 -0.78 -0.21 0.00 0.09 0.00 0.00 57.88 57.07 3ktq h LEU 470 Cb 0.27 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3ktq h LEU 470 CO 0.01 1.33 -0.89 1.05 0.09 0.00 0.00 178.44 180.03 3ktq h GLU 471 N -0.01 0.38 -0.56 1.13 4.11 -0.93 -0.70 114.58 118.00 3ktq h GLU 471 Ca -0.10 -0.39 -0.00 0.00 0.07 0.00 0.00 59.36 58.94 3ktq h GLU 471 Cb 1.47 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.79 3ktq h GLU 471 CO 0.15 1.06 0.33 0.00 0.07 0.00 0.00 179.01 180.62 3ktq h ALA 472 N 0.81 1.54 0.09 1.06 0.00 -0.58 -0.68 119.26 121.49 3ktq h ALA 472 Ca -0.06 -0.07 -0.26 0.00 0.00 0.00 0.00 54.91 54.51 3ktq h ALA 472 Cb 1.51 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3ktq h ALA 472 CO 0.15 0.40 -1.26 1.49 0.00 0.00 0.00 179.25 180.03 3ktq h GLU 473 N 0.77 0.18 -0.84 0.00 4.81 -1.30 -2.75 114.58 115.45 3ktq h GLU 473 Ca 0.20 -0.31 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 3ktq h GLU 473 Cb -0.02 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 3ktq h GLU 473 CO -0.04 1.10 0.41 0.28 -0.73 0.00 0.00 179.01 180.03 3ktq h VAL 474 N 0.05 1.26 -0.19 0.32 2.07 -0.61 0.14 116.25 119.29 3ktq h VAL 474 Ca -0.13 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 3ktq h VAL 474 Cb 1.93 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 3ktq h VAL 474 CO 0.17 0.31 0.05 -0.26 0.02 0.00 0.00 177.57 177.86 3ktq h PHE 475 N 1.19 0.32 0.17 1.57 0.04 -1.20 -0.56 116.94 118.47 3ktq h PHE 475 Ca 0.29 -0.04 0.01 0.00 2.80 0.00 0.00 57.97 61.04 3ktq h PHE 475 Cb 0.11 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.13 3ktq h PHE 475 CO 0.01 0.42 -0.29 -0.09 -0.60 0.00 0.00 178.31 177.76 3ktq h ARG 476 N 0.13 -0.52 -1.00 1.51 2.43 -1.15 0.53 114.38 116.31 3ktq h ARG 476 Ca 0.06 0.04 0.19 0.00 -0.81 0.00 0.00 59.98 59.46 3ktq h ARG 476 Cb 0.25 0.12 -0.10 0.00 -0.42 0.00 0.00 29.97 29.82 3ktq h ARG 476 CO -0.00 -0.35 0.61 -0.07 -1.51 0.00 0.00 179.97 178.66 3ktq h LEU 477 N -0.54 0.74 0.00 3.80 -0.00 -0.82 0.54 115.31 119.02 3ktq h LEU 477 Ca 0.02 0.09 -0.03 0.00 -0.00 0.00 0.00 57.88 57.96 3ktq h LEU 477 Cb 0.55 -0.04 -0.00 0.00 -0.00 0.00 0.00 40.66 41.16 3ktq h LEU 477 CO -0.14 0.26 -0.17 0.00 -0.00 0.00 0.00 178.44 178.39 3ktq h ALA 478 N 1.64 0.89 0.00 1.53 0.00 -0.49 -3.47 119.26 119.36 3ktq h ALA 478 Ca 0.57 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3ktq h ALA 478 Cb 0.95 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3ktq h ALA 478 CO -0.36 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.51 3ktq n GLY 479 N 1.14 0.68 0.00 0.00 0.00 0.19 -5.02 105.19 102.18 3ktq n GLY 479 Ca 0.03 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3ktq n GLY 479 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3ktq n HIS 480 N -2.58 0.00 -1.53 1.61 1.44 -0.06 -4.97 115.22 109.13 3ktq n HIS 480 Ca 0.00 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.42 3ktq n HIS 480 Cb 0.00 0.00 0.15 0.00 0.12 0.00 0.00 29.99 30.26 3ktq n HIS 480 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 3ktq s PRO 481 N -2.00 0.79 0.00 -1.40 0.04 -1.26 -4.62 135.00 126.55 3ktq s PRO 481 Ca 0.00 0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.19 3ktq s PRO 481 Cb 0.00 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.73 3ktq s PRO 481 CO 0.00 -2.41 0.00 1.97 0.04 0.00 0.00 177.00 176.60 3ktq n PHE 482 N -3.89 0.00 -2.23 0.56 -1.74 -1.26 -5.09 117.46 103.82 3ktq n PHE 482 Ca 0.08 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.55 3ktq n PHE 482 Cb 0.59 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.57 3ktq n PHE 482 CO 0.00 0.00 0.00 1.21 -0.56 0.00 0.00 176.76 177.41 3ktq s ASN 483 N 0.00 6.11 0.52 5.98 3.84 -1.26 -4.84 114.94 125.29 3ktq s ASN 483 Ca 0.00 0.87 0.32 0.00 0.21 0.00 0.00 52.86 54.26 3ktq s ASN 483 Cb 0.00 -2.54 1.29 0.00 -0.55 0.00 0.00 41.25 39.46 3ktq s ASN 483 CO 0.00 -1.61 1.95 0.25 -2.79 0.00 0.00 177.10 174.90 3ktq h LEU 484 N 13.01 0.00 -0.49 3.21 6.46 -1.98 -2.44 115.31 133.07 3ktq h LEU 484 Ca -0.29 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.47 3ktq h LEU 484 Cb 1.13 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.06 3ktq h LEU 484 CO 1.09 0.00 -0.12 0.59 -0.62 0.00 0.00 178.44 179.38 3ktq n ASN 485 N -3.00 0.89 -4.50 1.25 3.02 -1.26 -4.71 115.26 106.94 3ktq n ASN 485 Ca 0.01 -0.95 -0.43 0.00 -0.03 0.00 0.00 54.58 53.18 3ktq n ASN 485 Cb 0.31 0.02 -0.08 0.00 -0.61 0.00 0.00 39.78 39.42 3ktq n ASN 485 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3ktq s SER 486 N -2.33 6.25 0.37 6.41 0.15 -0.92 -4.93 113.70 118.71 3ktq s SER 486 Ca 0.31 -0.48 0.06 0.00 0.70 0.00 0.00 55.95 56.54 3ktq s SER 486 Cb 0.20 -2.26 0.73 0.00 -1.71 0.00 0.00 66.02 62.98 3ktq s SER 486 CO 0.45 -0.63 1.96 0.08 1.20 0.00 0.00 173.24 176.29 3ktq h ARG 487 N 8.75 0.50 0.02 5.44 -0.00 -1.86 -1.46 114.38 125.77 3ktq h ARG 487 Ca -0.26 -0.07 -0.00 0.00 -0.00 0.00 0.00 59.98 59.64 3ktq h ARG 487 Cb 1.11 -0.09 0.00 0.00 -0.00 0.00 0.00 29.97 30.99 3ktq h ARG 487 CO 0.82 0.45 -0.01 -0.44 -0.00 0.00 0.00 179.97 180.80 3ktq h ASP 488 N 0.50 -0.02 -0.78 0.08 3.32 -1.94 -0.29 116.42 117.29 3ktq h ASP 488 Ca 0.12 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 3ktq h ASP 488 Cb 0.17 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.69 3ktq h ASP 488 CO -0.01 0.23 0.46 1.56 -1.72 0.00 0.00 179.24 179.77 3ktq h GLN 489 N -0.28 1.07 -0.04 3.56 4.20 -1.77 -2.18 115.11 119.67 3ktq h GLN 489 Ca -0.00 -0.11 -0.11 0.00 0.06 0.00 0.00 58.65 58.49 3ktq h GLN 489 Cb 0.26 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 3ktq h GLN 489 CO 0.00 0.77 -0.47 1.25 -0.67 0.00 0.00 178.83 179.71 3ktq h LEU 490 N 1.07 0.11 -0.32 1.46 5.85 -1.21 -2.63 115.31 119.64 3ktq h LEU 490 Ca 0.28 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 3ktq h LEU 490 Cb -0.02 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3ktq h LEU 490 CO -0.05 0.57 0.19 -0.08 -0.34 0.00 0.00 178.44 178.73 3ktq h GLU 491 N 0.08 0.44 -0.23 1.25 4.81 -0.45 0.18 114.58 120.67 3ktq h GLU 491 Ca 0.00 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3ktq h GLU 491 Cb 0.87 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.13 3ktq h GLU 491 CO 0.07 0.34 0.07 0.00 -0.73 0.00 0.00 179.01 178.76 3ktq h ARG 492 N 0.42 0.17 0.03 1.92 3.08 -1.27 -0.10 114.38 118.63 3ktq h ARG 492 Ca 0.12 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 3ktq h ARG 492 Cb 0.02 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.03 3ktq h ARG 492 CO -0.02 0.11 -0.02 0.28 -1.07 0.00 0.00 179.97 179.26 3ktq h VAL 493 N 0.18 1.06 -0.27 2.04 2.07 -1.10 0.91 116.25 121.13 3ktq h VAL 493 Ca 0.10 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 3ktq h VAL 493 Cb 0.07 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3ktq h VAL 493 CO -0.11 0.07 0.06 -0.07 0.02 0.00 0.00 177.57 177.54 3ktq h LEU 494 N -0.17 0.42 0.00 2.57 3.38 -0.53 0.17 115.31 121.15 3ktq h LEU 494 Ca -0.00 -0.24 -0.30 0.00 0.09 0.00 0.00 57.88 57.43 3ktq h LEU 494 Cb 0.15 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 3ktq h LEU 494 CO 0.01 0.55 -2.18 0.49 0.09 0.00 0.00 178.44 177.40 3ktq n PHE 495 N -4.69 0.21 -0.11 1.13 3.72 -0.06 -2.40 117.46 115.27 3ktq n PHE 495 Ca -0.03 0.07 -0.23 0.00 -0.05 0.00 0.00 57.45 57.21 3ktq n PHE 495 Cb 0.19 -0.97 -0.12 0.00 -0.94 0.00 0.00 39.48 37.64 3ktq n PHE 495 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3ktq n ASP 496 N -2.74 1.98 -0.06 4.37 8.00 0.30 -4.52 116.55 123.88 3ktq n ASP 496 Ca -0.25 0.18 -0.05 0.00 0.71 0.00 0.00 54.79 55.38 3ktq n ASP 496 Cb 1.05 -0.72 -0.03 0.00 -0.02 0.00 0.00 41.12 41.40 3ktq n ASP 496 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3ktq h GLU 497 N -0.50 0.00 -7.60 -1.24 5.08 -0.98 -3.45 114.58 105.89 3ktq h GLU 497 Ca -0.56 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.33 3ktq h GLU 497 Cb 1.73 0.00 0.12 0.00 0.50 0.00 0.00 28.75 31.09 3ktq h GLU 497 CO -0.20 0.25 0.37 -0.51 -1.00 0.00 0.00 179.01 177.92 3ktq s LEU 498 N -8.40 2.34 -0.60 1.33 1.43 0.60 -4.97 118.68 110.41 3ktq s LEU 498 Ca -0.07 0.78 0.02 0.00 -1.03 0.00 0.00 54.13 53.82 3ktq s LEU 498 Cb 0.00 -3.16 0.40 0.00 0.03 0.00 0.00 46.19 43.47 3ktq s LEU 498 CO 0.20 -2.23 1.56 0.61 0.23 0.00 0.00 176.35 176.72 3ktq n GLY 499 N -2.99 5.87 3.75 -3.19 0.00 -1.26 -4.34 105.19 103.03 3ktq n GLY 499 Ca 0.08 -2.60 -0.40 0.00 0.00 0.00 0.00 46.02 43.11 3ktq n GLY 499 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ktq s LEU 500 N -3.78 4.54 0.27 0.99 1.43 -1.01 -5.01 118.68 116.11 3ktq s LEU 500 Ca 0.52 1.73 -0.29 0.00 -1.03 0.00 0.00 54.13 55.06 3ktq s LEU 500 Cb 0.43 -3.47 -0.10 0.00 0.03 0.00 0.00 46.19 43.08 3ktq s LEU 500 CO -0.22 0.05 1.31 -2.16 0.23 0.00 0.00 176.35 175.56 3ktq s PRO 501 N -0.48 4.38 -0.38 1.29 0.04 -1.26 -4.46 135.00 134.12 3ktq s PRO 501 Ca 0.42 2.14 -0.27 0.00 0.04 0.00 0.00 61.00 63.32 3ktq s PRO 501 Cb -0.23 -3.13 0.02 0.00 0.04 0.00 0.00 34.50 31.20 3ktq s PRO 501 CO 0.28 -0.21 1.01 0.00 0.04 0.00 0.00 177.00 178.12 3ktq s ALA 502 N -0.54 3.38 -0.24 8.56 0.00 -1.26 -4.90 121.76 126.75 3ktq s ALA 502 Ca 0.53 -0.35 0.21 0.00 0.00 0.00 0.00 51.96 52.34 3ktq s ALA 502 Cb -0.38 -3.65 0.04 0.00 0.00 0.00 0.00 23.12 19.13 3ktq s ALA 502 CO 0.45 -1.71 1.13 0.82 0.00 0.00 0.00 175.76 176.46 3ktq h ILE 503 N 5.88 0.16 -3.49 0.00 2.04 -1.93 -3.49 117.51 116.68 3ktq h ILE 503 Ca -0.22 -1.28 -0.04 0.00 1.00 0.00 0.00 64.86 64.32 3ktq h ILE 503 Cb 1.07 1.76 -0.10 0.00 -0.74 0.00 0.00 36.82 38.81 3ktq h ILE 503 CO 1.02 0.09 -0.06 -0.83 0.00 0.00 0.00 178.15 178.37 3ktq s GLY 504 N -4.43 0.21 0.27 5.37 0.00 -1.26 -5.06 107.32 102.42 3ktq s GLY 504 Ca 0.01 -0.55 0.12 0.00 0.00 0.00 0.00 44.72 44.29 3ktq s GLY 504 CO 0.77 -0.46 -0.20 0.54 0.00 0.00 0.00 173.10 173.75 3ktq s LYS 505 N -3.94 1.66 0.26 2.90 -0.14 -1.26 0.14 119.74 119.36 3ktq s LYS 505 Ca 0.15 -1.76 -0.15 0.00 -1.36 0.00 0.00 55.97 52.86 3ktq s LYS 505 Cb -0.01 -1.73 -0.08 0.00 -1.68 0.00 0.00 37.83 34.33 3ktq s LYS 505 CO 0.02 0.32 0.67 0.95 -0.76 0.00 0.00 175.35 176.55 3ktq s THR 506 N -2.54 4.74 0.08 2.17 -4.23 0.21 -4.64 115.64 111.43 3ktq s THR 506 Ca 0.29 0.89 -0.37 0.00 -1.18 0.00 0.00 61.69 61.33 3ktq s THR 506 Cb -0.05 -3.67 -0.19 0.00 1.34 0.00 0.00 72.50 69.94 3ktq s THR 506 CO 0.14 -0.04 1.57 -0.33 -0.54 0.00 0.00 174.62 175.42 3ktq h GLU 507 N 2.69 -1.09 0.03 3.99 4.39 -1.94 0.15 114.58 122.80 3ktq h GLU 507 Ca -0.48 0.07 -0.25 0.00 0.34 0.00 0.00 59.36 59.05 3ktq h GLU 507 Cb 1.18 0.25 -0.03 0.00 -0.10 0.00 0.00 28.75 30.05 3ktq h GLU 507 CO 0.66 -0.73 -1.23 0.87 -1.16 0.00 0.00 179.01 177.42 3ktq h LYS 508 N -1.13 0.07 0.00 2.33 6.56 -2.00 -3.38 116.57 119.02 3ktq h LYS 508 Ca -0.09 -0.12 0.00 0.00 -1.06 0.00 0.00 60.65 59.39 3ktq h LYS 508 Cb 0.93 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.64 3ktq h LYS 508 CO 0.03 0.95 -1.26 0.25 -2.06 0.00 0.00 179.45 177.36 3ktq n THR 509 N -3.33 0.00 -0.95 -0.16 -2.24 -1.26 -5.01 114.28 101.33 3ktq n THR 509 Ca -0.06 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 3ktq n THR 509 Cb 0.99 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.65 3ktq n THR 509 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ktq n GLY 510 N 1.72 0.54 3.72 3.38 0.00 0.54 -4.95 105.19 110.14 3ktq n GLY 510 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 3ktq n GLY 510 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ktq s LYS 511 N -0.38 2.03 0.11 1.61 1.02 -1.26 -4.19 119.74 118.68 3ktq s LYS 511 Ca 0.00 1.64 -0.31 0.00 0.02 0.00 0.00 55.97 57.32 3ktq s LYS 511 Cb 0.00 -1.83 -0.09 0.00 -0.52 0.00 0.00 37.83 35.39 3ktq s LYS 511 CO 0.00 -1.89 1.59 1.03 -0.92 0.00 0.00 175.35 175.16 3ktq s ARG 512 N -4.13 4.22 0.54 1.68 0.52 -1.26 0.68 118.95 121.19 3ktq s ARG 512 Ca 0.71 2.31 -0.19 0.00 -0.52 0.00 0.00 55.73 58.03 3ktq s ARG 512 Cb -0.26 -3.40 -0.06 0.00 0.52 0.00 0.00 34.95 31.75 3ktq s ARG 512 CO 0.48 -0.65 1.11 0.45 0.02 0.00 0.00 175.30 176.70 3ktq s SER 513 N 1.78 5.82 -0.14 0.23 0.15 0.12 -4.79 113.70 116.88 3ktq s SER 513 Ca 0.71 2.11 0.17 0.00 0.70 0.00 0.00 55.95 59.64 3ktq s SER 513 Cb -0.41 -2.57 0.43 0.00 -1.71 0.00 0.00 66.02 61.76 3ktq s SER 513 CO 0.31 -1.15 1.19 0.35 1.20 0.00 0.00 173.24 175.15 3ktq n THR 514 N -1.31 1.34 -1.17 6.45 -2.24 -1.26 -4.72 114.28 111.37 3ktq n THR 514 Ca 0.11 -2.46 -0.31 0.00 -2.27 0.00 0.00 64.05 59.12 3ktq n THR 514 Cb 0.51 0.26 0.11 0.00 -2.10 0.00 0.00 70.33 69.11 3ktq n THR 514 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3ktq s SER 515 N -2.84 4.18 0.48 3.42 0.15 -1.26 -4.71 113.70 113.13 3ktq s SER 515 Ca 0.37 1.93 0.19 0.00 0.70 0.00 0.00 55.95 59.14 3ktq s SER 515 Cb 0.38 -2.54 1.21 0.00 -1.71 0.00 0.00 66.02 63.36 3ktq s SER 515 CO -0.10 -2.25 1.99 0.00 1.20 0.00 0.00 173.24 174.08 3ktq h ALA 516 N -1.20 2.24 -0.38 5.45 0.00 -1.98 0.45 119.26 123.85 3ktq h ALA 516 Ca -0.44 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.34 3ktq h ALA 516 Cb 1.24 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3ktq h ALA 516 CO 0.49 -0.39 -0.26 0.00 0.00 0.00 0.00 179.25 179.09 3ktq h ALA 517 N 1.72 0.83 -0.02 0.00 0.00 -1.99 0.15 119.26 119.95 3ktq h ALA 517 Ca 0.27 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3ktq h ALA 517 Cb 0.77 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3ktq h ALA 517 CO -0.05 0.64 -0.22 0.28 0.00 0.00 0.00 179.25 179.91 3ktq h VAL 518 N 0.67 1.51 -0.37 0.00 2.07 -1.06 -3.10 116.25 115.98 3ktq h VAL 518 Ca 0.08 -1.82 0.09 0.00 0.82 0.00 0.00 66.70 65.87 3ktq h VAL 518 Cb 0.79 2.62 -0.02 0.00 -1.52 0.00 0.00 31.29 33.16 3ktq h VAL 518 CO 0.06 0.50 0.26 -0.07 0.02 0.00 0.00 177.57 178.34 3ktq h LEU 519 N -0.45 0.10 -0.23 2.57 3.38 -0.12 -0.10 115.31 120.46 3ktq h LEU 519 Ca -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3ktq h LEU 519 Cb 0.93 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 3ktq h LEU 519 CO 0.04 0.06 0.02 -0.33 0.09 0.00 0.00 178.44 178.33 3ktq h GLU 520 N 0.11 0.39 0.00 1.13 4.39 -0.69 0.18 114.58 120.10 3ktq h GLU 520 Ca 0.17 -0.12 -0.03 0.00 0.34 0.00 0.00 59.36 59.73 3ktq h GLU 520 Cb 0.54 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.14 3ktq h GLU 520 CO -0.02 0.55 -0.13 0.00 -1.16 0.00 0.00 179.01 178.25 3ktq h ALA 521 N 0.83 1.60 -0.01 3.43 0.00 -0.99 -2.33 119.26 121.78 3ktq h ALA 521 Ca 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3ktq h ALA 521 Cb 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3ktq h ALA 521 CO 0.01 0.16 -0.57 1.28 0.00 0.00 0.00 179.25 180.13 3ktq n LEU 522 N -4.11 1.10 -0.33 0.00 4.32 -0.50 -4.53 117.00 112.94 3ktq n LEU 522 Ca -0.02 -0.36 0.24 0.00 -0.02 0.00 0.00 56.01 55.84 3ktq n LEU 522 Cb 0.21 -0.10 0.47 0.00 -1.62 0.00 0.00 43.42 42.38 3ktq n LEU 522 CO 0.33 0.23 1.09 0.03 -1.22 0.00 0.00 177.39 177.86 3ktq h ARG 523 N 0.82 0.27 -0.00 3.23 -0.00 -0.08 0.25 114.38 118.88 3ktq h ARG 523 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.46 3ktq h ARG 523 Cb 0.56 -0.06 0.00 0.00 0.00 0.00 0.00 29.97 30.47 3ktq h ARG 523 CO 0.00 0.18 -0.28 0.39 0.00 0.00 0.00 179.97 180.26 3ktq n GLU 524 N -5.09 0.33 0.12 0.04 1.02 -1.26 -4.06 120.64 111.74 3ktq n GLU 524 Ca 0.32 -0.15 -0.21 0.00 -0.02 0.00 0.00 57.16 57.10 3ktq n GLU 524 Cb 0.99 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 30.77 3ktq n GLU 524 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ktq h ALA 525 N 3.28 -0.03 -2.70 0.62 0.00 -0.79 -3.47 119.26 116.17 3ktq h ALA 525 Ca 0.00 -0.86 -0.13 0.00 0.00 0.00 0.00 54.91 53.92 3ktq h ALA 525 Cb 0.47 0.10 -0.22 0.00 0.00 0.00 0.00 17.79 18.13 3ktq h ALA 525 CO 0.00 0.81 -0.30 -1.58 0.00 0.00 0.00 179.25 178.19 3ktq s HIS 526 N -2.67 -0.27 0.49 0.00 2.46 -1.20 -5.04 115.29 109.05 3ktq s HIS 526 Ca -0.07 0.57 0.24 0.00 0.47 0.00 0.00 55.06 56.27 3ktq s HIS 526 Cb 0.06 0.11 1.44 0.00 -0.13 0.00 0.00 32.58 34.05 3ktq s HIS 526 CO 0.92 -0.29 2.12 -1.35 -2.47 0.00 0.00 174.74 173.66 3ktq h PRO 527 N 4.68 0.00 0.00 2.88 0.11 -1.92 -2.55 132.00 135.20 3ktq h PRO 527 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3ktq h PRO 527 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3ktq h PRO 527 CO 0.35 0.09 0.00 0.97 -0.21 0.00 0.00 178.00 179.20 3ktq h ILE 528 N 0.00 0.00 -0.11 4.15 2.10 -1.95 -3.22 117.51 118.48 3ktq h ILE 528 Ca -0.00 -0.36 -0.11 0.00 1.08 0.00 0.00 64.86 65.47 3ktq h ILE 528 Cb 0.19 1.28 0.00 0.00 -1.09 0.00 0.00 36.82 37.21 3ktq h ILE 528 CO 0.01 0.00 -0.37 0.58 -1.08 0.00 0.00 178.15 177.29 3ktq h VAL 529 N 0.00 1.38 -0.26 2.19 2.07 -1.76 -2.56 116.25 117.32 3ktq h VAL 529 Ca 0.00 -1.70 -0.03 0.00 0.82 0.00 0.00 66.70 65.79 3ktq h VAL 529 Cb 0.38 2.16 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 3ktq h VAL 529 CO 0.00 0.50 0.06 -0.33 0.02 0.00 0.00 177.57 177.82 3ktq h GLU 530 N 0.02 0.41 -0.98 1.57 3.07 -1.73 -2.24 114.58 114.70 3ktq h GLU 530 Ca -0.02 -0.10 0.13 0.00 -0.50 0.00 0.00 59.36 58.87 3ktq h GLU 530 Cb 1.00 -0.05 -0.09 0.00 -0.84 0.00 0.00 28.75 28.77 3ktq h GLU 530 CO 0.08 0.52 0.61 0.87 -1.40 0.00 0.00 179.01 179.69 3ktq h LYS 531 N 0.24 0.92 -0.23 2.33 1.79 -1.62 -1.21 116.57 118.78 3ktq h LYS 531 Ca 0.08 -0.06 -0.10 0.00 -2.18 0.00 0.00 60.65 58.39 3ktq h LYS 531 Cb 0.29 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 3ktq h LYS 531 CO 0.00 0.61 -0.30 0.82 -1.08 0.00 0.00 179.45 179.50 3ktq h ILE 532 N 0.95 1.28 -0.39 1.86 2.04 -1.22 -1.43 117.51 120.58 3ktq h ILE 532 Ca 0.50 -1.36 -0.12 0.00 1.00 0.00 0.00 64.86 64.87 3ktq h ILE 532 Cb 0.52 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 3ktq h ILE 532 CO -0.28 0.43 -0.25 -0.07 0.00 0.00 0.00 178.15 177.98 3ktq h LEU 533 N 0.41 0.82 -0.22 1.44 3.38 -0.64 -1.21 115.31 119.29 3ktq h LEU 533 Ca 0.05 -0.31 -0.21 0.00 0.09 0.00 0.00 57.88 57.51 3ktq h LEU 533 Cb 0.73 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.26 3ktq h LEU 533 CO 0.06 1.03 -0.68 1.56 0.09 0.00 0.00 178.44 180.50 3ktq h GLN 534 N 0.69 0.83 -0.48 1.13 4.20 -1.24 -2.53 115.11 117.72 3ktq h GLN 534 Ca 0.09 -0.61 0.00 0.00 0.06 0.00 0.00 58.65 58.19 3ktq h GLN 534 Cb 0.77 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.64 3ktq h GLN 534 CO 0.06 1.23 0.31 -0.92 -0.67 0.00 0.00 178.83 178.85 3ktq h TYR 535 N 0.60 0.61 -0.43 2.96 5.03 -1.14 -1.96 116.97 122.65 3ktq h TYR 535 Ca -0.02 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.27 3ktq h TYR 535 Cb 1.30 -0.21 -0.02 0.00 1.55 0.00 0.00 36.73 39.35 3ktq h TYR 535 CO 0.08 0.39 0.15 0.00 -1.32 0.00 0.00 178.16 177.47 3ktq h ARG 536 N 0.65 0.62 0.60 1.82 2.47 -1.18 -0.89 114.38 118.48 3ktq h ARG 536 Ca 0.18 -0.09 -0.03 0.00 -1.26 0.00 0.00 59.98 58.78 3ktq h ARG 536 Cb -0.06 -0.11 0.01 0.00 -1.65 0.00 0.00 29.97 28.15 3ktq h ARG 536 CO -0.04 0.53 -0.29 1.49 0.56 0.00 0.00 179.97 182.22 3ktq h GLU 537 N 0.61 -0.78 0.08 0.04 4.81 -1.04 -1.77 114.58 116.53 3ktq h GLU 537 Ca 0.15 0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.45 3ktq h GLU 537 Cb 0.16 0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.67 3ktq h GLU 537 CO -0.01 -0.50 -0.52 -0.07 -0.73 0.00 0.00 179.01 177.18 3ktq h LEU 538 N -1.18 -1.57 -1.45 1.64 3.38 -1.25 -0.24 115.31 114.64 3ktq h LEU 538 Ca -0.08 0.17 0.12 0.00 0.09 0.00 0.00 57.88 58.18 3ktq h LEU 538 Cb 0.64 0.59 -0.05 0.00 0.09 0.00 0.00 40.66 41.92 3ktq h LEU 538 CO 0.14 -0.53 0.51 0.71 0.09 0.00 0.00 178.44 179.35 3ktq h THR 539 N -0.71 0.86 -0.11 0.22 1.35 -1.28 0.26 112.91 113.52 3ktq h THR 539 Ca -0.00 -0.20 -0.04 0.00 -0.55 0.00 0.00 66.41 65.62 3ktq h THR 539 Cb 0.73 0.24 -0.00 0.00 -1.73 0.00 0.00 68.15 67.39 3ktq h THR 539 CO -0.30 0.10 -0.09 0.50 -0.25 0.00 0.00 175.52 175.48 3ktq h LYS 540 N 0.57 0.25 0.09 4.72 1.63 -0.59 -1.31 116.57 121.92 3ktq h LYS 540 Ca 0.37 -0.13 -0.00 0.00 -0.85 0.00 0.00 60.65 60.04 3ktq h LYS 540 Cb 0.66 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.29 3ktq h LYS 540 CO -0.14 0.65 -0.04 -0.07 -3.45 0.00 0.00 179.45 176.40 3ktq h LEU 541 N -0.15 -0.10 -0.40 5.20 3.38 -0.02 -2.10 115.31 121.13 3ktq h LEU 541 Ca 0.02 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3ktq h LEU 541 Cb 0.60 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 3ktq h LEU 541 CO 0.02 0.04 0.21 0.50 0.09 0.00 0.00 178.44 179.30 3ktq h LYS 542 N -0.23 0.56 0.00 1.13 3.64 -0.57 -0.23 116.57 120.88 3ktq h LYS 542 Ca -0.01 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.24 3ktq h LYS 542 Cb 0.19 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3ktq h LYS 542 CO 0.02 0.47 -0.25 0.66 -2.27 0.00 0.00 179.45 178.08 3ktq h SER 543 N 0.51 0.00 0.00 4.20 4.64 -1.25 0.19 113.55 121.85 3ktq h SER 543 Ca 0.14 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.12 3ktq h SER 543 Cb 0.08 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.11 3ktq h SER 543 CO -0.02 0.25 -2.35 0.41 -0.87 0.00 0.00 176.83 174.25 3ktq n THR 544 N -3.27 1.26 0.06 2.95 -1.04 -0.79 -4.47 114.28 108.97 3ktq n THR 544 Ca 0.01 -0.83 0.00 0.00 -2.04 0.00 0.00 64.05 61.20 3ktq n THR 544 Cb 0.52 -0.42 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 3ktq n THR 544 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3ktq n TYR 545 N -2.71 -0.43 -0.26 -1.42 4.01 -0.14 -4.66 117.16 111.55 3ktq n TYR 545 Ca -0.30 0.08 0.07 0.00 -0.16 0.00 0.00 57.90 57.58 3ktq n TYR 545 Cb 1.10 0.12 0.20 0.00 -0.31 0.00 0.00 39.34 40.45 3ktq n TYR 545 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 3ktq h ILE 546 N 0.00 0.55 0.02 -0.72 2.04 -1.42 -2.75 117.51 115.23 3ktq h ILE 546 Ca 0.00 -0.12 -0.20 0.00 1.00 0.00 0.00 64.86 65.54 3ktq h ILE 546 Cb 0.14 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 3ktq h ILE 546 CO 0.00 0.06 -1.10 0.44 0.00 0.00 0.00 178.15 177.56 3ktq h ASP 547 N 0.34 0.08 -0.40 1.72 3.32 -0.88 -3.42 116.42 117.19 3ktq h ASP 547 Ca 0.44 -0.67 -0.13 0.00 0.02 0.00 0.00 57.03 56.69 3ktq h ASP 547 Cb 0.74 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 3ktq h ASP 547 CO -0.48 1.44 -0.25 1.55 -1.72 0.00 0.00 179.24 179.78 3ktq h PRO 548 N -0.84 0.87 -0.25 3.56 0.13 -1.78 -3.38 132.00 130.32 3ktq h PRO 548 Ca -0.28 -0.41 0.06 0.00 -0.87 0.00 0.00 66.00 64.50 3ktq h PRO 548 Cb 1.36 -0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.41 3ktq h PRO 548 CO -0.12 1.05 -0.27 -0.07 -0.23 0.00 0.00 178.00 178.37 3ktq h LEU 549 N 0.69 -0.86 -2.00 1.56 3.38 -1.73 -1.77 115.31 114.57 3ktq h LEU 549 Ca 0.08 0.15 0.19 0.00 0.09 0.00 0.00 57.88 58.39 3ktq h LEU 549 Cb 0.83 0.40 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 3ktq h LEU 549 CO 0.07 -0.30 0.47 -0.65 0.09 0.00 0.00 178.44 178.13 3ktq h PRO 550 N -0.27 0.00 0.00 1.13 0.11 -1.82 0.20 132.00 131.35 3ktq h PRO 550 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3ktq h PRO 550 Cb 0.49 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.60 3ktq h PRO 550 CO -0.41 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.13 3ktq n ASP 551 N -4.32 0.00 -1.08 -2.05 8.00 -0.68 -3.26 116.55 113.16 3ktq n ASP 551 Ca 0.13 0.19 0.10 0.00 0.71 0.00 0.00 54.79 55.91 3ktq n ASP 551 Cb 0.73 -0.40 0.24 0.00 -0.02 0.00 0.00 41.12 41.67 3ktq n ASP 551 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3ktq n LEU 552 N -1.40 3.46 -4.70 0.64 4.32 0.71 -4.96 117.00 115.08 3ktq n LEU 552 Ca 0.11 -1.78 -0.42 0.00 -0.02 0.00 0.00 56.01 53.89 3ktq n LEU 552 Cb 0.29 -0.33 -0.03 0.00 -1.62 0.00 0.00 43.42 41.73 3ktq n LEU 552 CO 0.25 0.82 1.09 -0.63 -1.22 0.00 0.00 177.39 177.70 3ktq s ILE 553 N -1.15 3.51 0.31 -0.08 -1.09 -1.20 -4.62 121.20 116.88 3ktq s ILE 553 Ca 0.38 1.01 -0.29 0.00 -2.23 0.00 0.00 60.65 59.52 3ktq s ILE 553 Cb 0.21 -3.65 -0.10 0.00 -1.58 0.00 0.00 42.46 37.34 3ktq s ILE 553 CO 0.28 0.04 1.16 -2.28 -1.23 0.00 0.00 174.94 172.91 3ktq s HIS 554 N 1.73 3.38 0.04 3.97 2.46 -0.73 -4.85 115.29 121.29 3ktq s HIS 554 Ca 0.64 1.61 -0.23 0.00 0.47 0.00 0.00 55.06 57.55 3ktq s HIS 554 Cb -0.34 -3.39 -0.16 0.00 -0.13 0.00 0.00 32.58 28.56 3ktq s HIS 554 CO 0.29 -0.96 1.51 -1.00 -2.47 0.00 0.00 174.74 172.11 3ktq h PRO 555 N 3.54 0.08 0.00 2.88 0.13 -1.93 0.95 132.00 137.65 3ktq h PRO 555 Ca -0.48 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3ktq h PRO 555 Cb 1.22 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3ktq h PRO 555 CO 0.66 0.30 0.00 0.00 -0.23 0.00 0.00 178.00 178.73 3ktq h ARG 556 N -0.16 0.00 0.00 0.86 3.08 -1.98 -3.34 114.38 112.84 3ktq h ARG 556 Ca 0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 3ktq h ARG 556 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 3ktq h ARG 556 CO 0.00 0.00 -1.09 0.25 -1.07 0.00 0.00 179.97 178.06 3ktq n THR 557 N -2.60 0.09 -1.06 2.04 -2.24 -1.17 -4.99 114.28 104.34 3ktq n THR 557 Ca 0.02 -0.05 -0.02 0.00 -2.27 0.00 0.00 64.05 61.73 3ktq n THR 557 Cb 0.27 -0.81 -0.01 0.00 -2.10 0.00 0.00 70.33 67.69 3ktq n THR 557 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ktq n GLY 558 N 3.12 0.51 3.59 3.38 0.00 0.33 -4.97 105.19 111.15 3ktq n GLY 558 Ca -0.02 -0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 3ktq n GLY 558 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ktq s ARG 559 N -1.22 1.92 -0.14 1.61 0.52 -1.26 -4.48 118.95 115.90 3ktq s ARG 559 Ca 0.00 -1.99 -0.14 0.00 -0.52 0.00 0.00 55.73 53.08 3ktq s ARG 559 Cb 0.00 -1.71 -0.05 0.00 0.52 0.00 0.00 34.95 33.71 3ktq s ARG 559 CO 0.00 0.05 0.30 -0.51 0.02 0.00 0.00 175.30 175.15 3ktq s LEU 560 N -3.68 4.28 -0.38 2.53 1.43 0.21 -1.78 118.68 121.29 3ktq s LEU 560 Ca 0.34 0.56 0.03 0.00 -1.03 0.00 0.00 54.13 54.04 3ktq s LEU 560 Cb 0.06 -2.38 0.11 0.00 0.03 0.00 0.00 46.19 44.00 3ktq s LEU 560 CO 0.18 0.15 0.11 -1.00 0.23 0.00 0.00 176.35 176.01 3ktq s HIS 561 N 0.18 3.34 0.69 0.29 3.76 -1.26 -0.92 115.29 121.38 3ktq s HIS 561 Ca 0.17 -2.88 -0.10 0.00 -0.15 0.00 0.00 55.06 52.10 3ktq s HIS 561 Cb -0.13 -2.73 0.02 0.00 1.11 0.00 0.00 32.58 30.84 3ktq s HIS 561 CO 0.05 -0.89 1.07 0.99 -0.85 0.00 0.00 174.74 175.11 3ktq s THR 562 N 0.70 3.46 -0.04 1.30 2.01 -1.26 -4.66 115.64 117.14 3ktq s THR 562 Ca 0.12 0.38 -0.03 0.00 0.31 0.00 0.00 61.69 62.47 3ktq s THR 562 Cb -0.21 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 3ktq s THR 562 CO -0.08 -0.58 0.13 -0.13 -0.69 0.00 0.00 174.62 173.28 3ktq s ARG 563 N -5.30 3.31 -0.49 4.92 1.81 -1.05 -4.66 118.95 117.48 3ktq s ARG 563 Ca 0.58 -0.32 0.03 0.00 -1.72 0.00 0.00 55.73 54.29 3ktq s ARG 563 Cb -0.11 -3.04 0.13 0.00 -0.45 0.00 0.00 34.95 31.48 3ktq s ARG 563 CO 0.50 0.70 0.23 -0.06 -0.68 0.00 0.00 175.30 176.00 3ktq s PHE 564 N -1.18 3.37 -0.10 -0.53 0.08 -1.26 -2.07 117.98 116.28 3ktq s PHE 564 Ca 0.22 -3.04 -0.29 0.00 0.12 0.00 0.00 56.93 53.93 3ktq s PHE 564 Cb -0.12 -2.92 -0.04 0.00 -0.57 0.00 0.00 43.02 39.37 3ktq s PHE 564 CO 0.12 -0.81 1.46 -0.80 -0.10 0.00 0.00 175.22 175.09 3ktq s ASN 565 N 0.22 6.80 0.27 1.36 0.01 -0.22 -4.89 114.94 118.50 3ktq s ASN 565 Ca 0.15 1.98 0.23 0.00 -0.71 0.00 0.00 52.86 54.51 3ktq s ASN 565 Cb -0.23 -2.54 0.24 0.00 0.41 0.00 0.00 41.25 39.13 3ktq s ASN 565 CO -0.03 -0.84 1.34 -0.61 -1.51 0.00 0.00 177.10 175.45 3ktq h GLN 566 N 8.87 0.00 -2.12 -0.60 4.15 -1.93 -2.59 115.11 120.89 3ktq h GLN 566 Ca -0.33 0.00 -0.54 0.00 0.77 0.00 0.00 58.65 58.55 3ktq h GLN 566 Cb 1.14 0.00 -0.41 0.00 0.21 0.00 0.00 27.48 28.42 3ktq h GLN 566 CO 0.96 0.00 -0.94 0.25 -1.93 0.00 0.00 178.83 177.17 3ktq n THR 567 N -2.68 1.13 0.00 2.39 -2.24 -1.26 -4.86 114.28 106.77 3ktq n THR 567 Ca 0.02 -4.93 0.00 0.00 -2.27 0.00 0.00 64.05 56.87 3ktq n THR 567 Cb 0.51 -1.01 0.00 0.00 -2.10 0.00 0.00 70.33 67.73 3ktq n THR 567 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ktq n ALA 568 N 0.27 1.53 -2.52 6.98 0.00 -1.26 -4.32 120.51 121.19 3ktq n ALA 568 Ca 0.27 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.44 3ktq n ALA 568 Cb 0.53 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.88 3ktq n ALA 568 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3ktq s THR 569 N -1.18 2.90 -0.60 0.00 -1.32 -1.26 -5.03 115.64 109.15 3ktq s THR 569 Ca 0.00 -1.80 0.26 0.00 -1.21 0.00 0.00 61.69 58.94 3ktq s THR 569 Cb 0.00 -2.42 0.29 0.00 -1.51 0.00 0.00 72.50 68.85 3ktq s THR 569 CO 0.00 -0.12 1.76 0.00 -2.21 0.00 0.00 174.62 174.05 3ktq h ALA 570 N 3.00 1.00 0.00 11.08 0.00 -1.90 -3.30 119.26 129.13 3ktq h ALA 570 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3ktq h ALA 570 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3ktq h ALA 570 CO 0.52 0.00 -1.12 0.25 0.00 0.00 0.00 179.25 178.90 3ktq n THR 571 N -2.36 0.00 0.00 0.00 -2.24 -1.26 -4.68 114.28 103.74 3ktq n THR 571 Ca 0.04 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 3ktq n THR 571 Cb 0.38 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 3ktq n THR 571 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ktq n GLY 572 N 1.45 0.90 3.85 3.38 0.00 -1.24 -3.86 105.19 109.67 3ktq n GLY 572 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 3ktq n GLY 572 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ktq s ARG 573 N -0.83 3.91 0.92 1.61 0.52 -1.26 -4.71 118.95 119.12 3ktq s ARG 573 Ca 0.00 0.73 -0.12 0.00 -0.52 0.00 0.00 55.73 55.82 3ktq s ARG 573 Cb 0.00 -2.29 0.20 0.00 0.52 0.00 0.00 34.95 33.38 3ktq s ARG 573 CO 0.00 -0.09 1.26 -0.51 0.02 0.00 0.00 175.30 175.98 3ktq s LEU 574 N -3.73 2.81 0.07 2.53 1.43 -1.26 -4.02 118.68 116.52 3ktq s LEU 574 Ca 0.55 -0.04 -0.06 0.00 -1.03 0.00 0.00 54.13 53.55 3ktq s LEU 574 Cb -0.10 -1.98 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 3ktq s LEU 574 CO 0.27 -2.63 0.12 -0.94 0.23 0.00 0.00 176.35 173.40 3ktq s SER 575 N -4.91 0.23 -0.14 2.29 1.04 -0.98 -4.88 113.70 106.34 3ktq s SER 575 Ca 0.74 -0.72 0.01 0.00 0.48 0.00 0.00 55.95 56.46 3ktq s SER 575 Cb -0.03 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.38 3ktq s SER 575 CO 0.51 -0.66 -0.18 -0.55 0.98 0.00 0.00 173.24 173.35 3ktq s SER 576 N -2.74 3.49 0.44 7.02 0.15 -1.26 -1.05 113.70 119.75 3ktq s SER 576 Ca 0.04 -0.50 0.04 0.00 0.70 0.00 0.00 55.95 56.23 3ktq s SER 576 Cb 0.05 -1.52 -0.05 0.00 -1.71 0.00 0.00 66.02 62.79 3ktq s SER 576 CO -0.10 0.10 0.02 -0.55 1.20 0.00 0.00 173.24 173.91 3ktq s SER 577 N 0.73 3.73 1.01 5.45 0.15 -0.88 -4.38 113.70 119.51 3ktq s SER 577 Ca -0.08 -1.51 0.00 0.00 0.70 0.00 0.00 55.95 55.06 3ktq s SER 577 Cb -0.16 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.24 3ktq s SER 577 CO 0.01 -0.67 0.00 0.47 1.20 0.00 0.00 173.24 174.25 3ktq n ASP 578 N -1.09 0.00 -4.67 5.45 8.00 -1.26 -2.53 116.55 120.45 3ktq n ASP 578 Ca -0.11 0.00 -0.49 0.00 0.71 0.00 0.00 54.79 54.91 3ktq n ASP 578 Cb 0.67 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.72 3ktq n ASP 578 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3ktq n PRO 579 N 14.00 2.10 -3.10 -0.24 -0.02 -1.26 -4.78 135.00 141.71 3ktq n PRO 579 Ca 0.00 0.76 -0.44 0.00 -2.02 0.00 0.00 63.50 61.81 3ktq n PRO 579 Cb 0.00 -2.65 -0.06 0.00 -0.02 0.00 0.00 33.50 30.78 3ktq n PRO 579 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3ktq s ASN 580 N 4.37 6.25 -0.10 2.55 2.47 -1.25 -4.28 114.94 124.94 3ktq s ASN 580 Ca 0.94 -0.81 0.18 0.00 0.42 0.00 0.00 52.86 53.59 3ktq s ASN 580 Cb -0.70 -2.32 0.69 0.00 -1.45 0.00 0.00 41.25 37.48 3ktq s ASN 580 CO 0.52 -0.96 1.60 0.18 -3.72 0.00 0.00 177.10 174.72 3ktq n LEU 581 N 6.42 4.61 -0.95 3.21 4.77 -1.26 -4.14 117.00 129.66 3ktq n LEU 581 Ca -0.05 -2.42 0.11 0.00 -0.03 0.00 0.00 56.01 53.62 3ktq n LEU 581 Cb 0.46 -0.56 0.26 0.00 -2.33 0.00 0.00 43.42 41.25 3ktq n LEU 581 CO 0.56 0.82 0.72 0.00 -1.33 0.00 0.00 177.39 178.16 3ktq n GLN 582 N 1.07 2.25 -1.29 3.23 6.02 -1.26 -4.18 117.38 123.22 3ktq n GLN 582 Ca 0.25 -1.88 0.04 0.00 -0.01 0.00 0.00 57.00 55.40 3ktq n GLN 582 Cb 0.86 -1.47 0.05 0.00 1.02 0.00 0.00 30.24 30.69 3ktq n GLN 582 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 3ktq n ASN 583 N 1.10 1.04 -4.75 1.08 2.04 -1.26 -4.99 115.26 109.52 3ktq n ASN 583 Ca 0.18 -2.27 -0.41 0.00 -0.44 0.00 0.00 54.58 51.63 3ktq n ASN 583 Cb 0.51 -0.33 -0.02 0.00 -2.53 0.00 0.00 39.78 37.42 3ktq n ASN 583 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 3ktq s ILE 584 N -0.48 2.24 0.54 1.53 -1.09 -1.26 -4.92 121.20 117.76 3ktq s ILE 584 Ca 0.32 0.21 -0.20 0.00 -2.23 0.00 0.00 60.65 58.75 3ktq s ILE 584 Cb 0.36 -3.14 -0.08 0.00 -1.58 0.00 0.00 42.46 38.02 3ktq s ILE 584 CO -0.14 0.04 0.81 -2.65 -1.23 0.00 0.00 174.94 171.77 3ktq n PRO 585 N 1.89 0.86 0.00 2.79 -0.02 -1.26 -4.91 135.00 134.34 3ktq n PRO 585 Ca 0.06 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 3ktq n PRO 585 Cb 0.39 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 3ktq n PRO 585 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3ktq n VAL 586 N -1.38 0.00 0.21 -1.45 3.14 -1.26 -4.30 118.33 113.28 3ktq n VAL 586 Ca 0.12 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.41 3ktq n VAL 586 Cb 0.45 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.19 3ktq n VAL 586 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 3ktq h ARG 587 N 0.00 -0.58 -6.88 1.45 2.43 -1.91 -3.41 114.38 105.49 3ktq h ARG 587 Ca 0.00 0.04 -0.47 0.00 -0.81 0.00 0.00 59.98 58.74 3ktq h ARG 587 Cb 0.00 0.13 0.04 0.00 -0.42 0.00 0.00 29.97 29.72 3ktq h ARG 587 CO 0.00 -0.39 0.02 0.95 -1.51 0.00 0.00 179.97 179.04 3ktq s THR 588 N -3.50 3.83 0.18 0.20 -4.23 -1.26 -4.88 115.64 105.98 3ktq s THR 588 Ca -0.09 -0.28 -0.16 0.00 -1.18 0.00 0.00 61.69 59.98 3ktq s THR 588 Cb 0.01 -3.46 0.15 0.00 1.34 0.00 0.00 72.50 70.54 3ktq s THR 588 CO 0.26 -0.39 1.65 -0.65 -0.54 0.00 0.00 174.62 174.96 3ktq h PRO 589 N 0.15 -0.00 0.00 3.99 0.11 -1.99 0.15 132.00 134.41 3ktq h PRO 589 Ca -0.46 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 3ktq h PRO 589 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3ktq h PRO 589 CO 0.59 -0.00 -0.33 1.25 -0.21 0.00 0.00 178.00 179.30 3ktq h LEU 590 N -0.00 0.00 -0.60 2.35 5.85 -1.99 -0.81 115.31 120.11 3ktq h LEU 590 Ca 0.24 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.88 3ktq h LEU 590 Cb 0.36 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 3ktq h LEU 590 CO -0.51 0.33 0.07 1.23 -0.34 0.00 0.00 178.44 179.21 3ktq h GLY 591 N 1.02 1.10 1.50 3.75 0.00 -1.28 -1.76 103.07 107.39 3ktq h GLY 591 Ca -0.00 -0.76 -0.10 0.00 0.00 0.00 0.00 47.33 46.47 3ktq h GLY 591 CO 0.04 0.70 -0.22 1.46 0.00 0.00 0.00 176.54 178.52 3ktq h GLN 592 N 0.92 0.58 -0.14 4.80 4.20 -0.10 -1.63 115.11 123.75 3ktq h GLN 592 Ca 0.18 -0.22 -0.07 0.00 0.06 0.00 0.00 58.65 58.60 3ktq h GLN 592 Cb 0.47 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 3ktq h GLN 592 CO 0.02 0.76 -0.25 0.00 -0.67 0.00 0.00 178.83 178.69 3ktq h ARG 593 N 0.51 0.25 -0.15 1.46 3.08 -0.84 -2.46 114.38 116.24 3ktq h ARG 593 Ca 0.08 -0.08 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 3ktq h ARG 593 Cb 0.66 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.70 3ktq h ARG 593 CO 0.05 0.49 -0.46 0.82 -1.07 0.00 0.00 179.97 179.80 3ktq h ILE 594 N 0.23 1.35 -0.04 2.04 2.04 -0.92 -3.15 117.51 119.06 3ktq h ILE 594 Ca 0.04 -1.74 -0.02 0.00 1.00 0.00 0.00 64.86 64.14 3ktq h ILE 594 Cb 0.56 2.04 -0.00 0.00 -0.74 0.00 0.00 36.82 38.68 3ktq h ILE 594 CO 0.04 0.53 -0.07 -0.09 0.00 0.00 0.00 178.15 178.56 3ktq h ARG 595 N 0.21 0.06 0.00 2.37 2.43 -1.12 -1.63 114.38 116.69 3ktq h ARG 595 Ca -0.02 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3ktq h ARG 595 Cb 1.08 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 3ktq h ARG 595 CO 0.10 0.14 0.00 0.00 -1.51 0.00 0.00 179.97 178.70 3ktq h ARG 596 N 0.06 0.00 0.00 0.20 3.08 -1.39 -1.97 114.38 114.35 3ktq h ARG 596 Ca 0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 3ktq h ARG 596 Cb 0.17 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 3ktq h ARG 596 CO 0.01 0.00 -0.07 0.00 -1.07 0.00 0.00 179.97 178.84 3ktq h ALA 597 N 2.04 1.06 -1.91 0.04 0.00 -1.39 -3.41 119.26 115.69 3ktq h ALA 597 Ca 0.00 -0.07 -0.59 0.00 0.00 0.00 0.00 54.91 54.26 3ktq h ALA 597 Cb 0.19 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.88 3ktq h ALA 597 CO 0.00 0.09 0.68 -0.06 0.00 0.00 0.00 179.25 179.97 3ktq s PHE 598 N -3.82 2.95 0.15 0.00 0.40 -0.74 -0.32 117.98 116.60 3ktq s PHE 598 Ca -0.00 0.61 0.03 0.00 -0.60 0.00 0.00 56.93 56.97 3ktq s PHE 598 Cb 0.10 -3.98 -0.04 0.00 0.51 0.00 0.00 43.02 39.61 3ktq s PHE 598 CO 0.56 -1.05 -0.05 0.96 0.70 0.00 0.00 175.22 176.34 3ktq s ILE 599 N 3.84 0.88 0.49 0.64 -4.36 -0.74 -0.41 121.20 121.54 3ktq s ILE 599 Ca 0.40 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 58.67 3ktq s ILE 599 Cb -0.10 -1.93 -0.06 0.00 1.25 0.00 0.00 42.46 41.62 3ktq s ILE 599 CO 0.25 -0.66 0.89 0.00 0.24 0.00 0.00 174.94 175.66 3ktq s ALA 600 N -3.51 3.21 0.33 2.27 0.00 -0.70 -3.71 121.76 119.66 3ktq s ALA 600 Ca 0.19 -0.08 -0.29 0.00 0.00 0.00 0.00 51.96 51.78 3ktq s ALA 600 Cb 0.05 -2.90 -0.10 0.00 0.00 0.00 0.00 23.12 20.16 3ktq s ALA 600 CO 0.01 -0.23 1.34 -2.00 0.00 0.00 0.00 175.76 174.88 3ktq s GLU 601 N -4.23 4.32 0.20 0.00 2.56 -1.26 -4.84 118.70 115.45 3ktq s GLU 601 Ca 0.54 2.27 -0.30 0.00 0.00 0.00 0.00 54.97 57.49 3ktq s GLU 601 Cb -0.10 -3.06 -0.16 0.00 2.00 0.00 0.00 34.13 32.80 3ktq s GLU 601 CO 0.36 -0.25 0.76 0.39 -0.56 0.00 0.00 175.26 175.96 3ktq n GLU 602 N 0.88 0.47 -0.99 4.30 4.71 -1.26 -0.22 120.64 128.53 3ktq n GLU 602 Ca 0.01 0.17 0.00 0.00 -0.01 0.00 0.00 57.16 57.32 3ktq n GLU 602 Cb 0.41 -1.36 0.00 0.00 -1.01 0.00 0.00 31.44 29.48 3ktq n GLU 602 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3ktq n GLY 603 N 1.76 0.85 3.67 0.62 0.00 -1.26 -5.00 105.19 105.83 3ktq n GLY 603 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 3ktq n GLY 603 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ktq s TRP 604 N -3.43 2.30 0.04 1.61 0.52 0.70 -0.84 118.94 119.83 3ktq s TRP 604 Ca 0.00 -0.76 0.01 0.00 0.02 0.00 0.00 56.10 55.37 3ktq s TRP 604 Cb 0.00 -1.73 -0.02 0.00 -1.15 0.00 0.00 33.47 30.57 3ktq s TRP 604 CO 0.00 0.37 -0.06 -0.51 0.02 0.00 0.00 176.95 176.77 3ktq s LEU 605 N -3.77 2.27 -0.24 2.99 1.43 0.11 -4.64 118.68 116.83 3ktq s LEU 605 Ca 0.26 -0.56 -0.14 0.00 -1.03 0.00 0.00 54.13 52.65 3ktq s LEU 605 Cb 0.07 -0.05 -0.04 0.00 0.03 0.00 0.00 46.19 46.19 3ktq s LEU 605 CO 0.13 -0.26 0.32 -0.76 0.23 0.00 0.00 176.35 176.01 3ktq s LEU 606 N -1.63 4.09 -0.27 1.79 1.43 -0.63 -0.51 118.68 122.96 3ktq s LEU 606 Ca -0.11 0.30 -0.06 0.00 -1.03 0.00 0.00 54.13 53.24 3ktq s LEU 606 Cb -0.09 -2.36 0.00 0.00 0.03 0.00 0.00 46.19 43.77 3ktq s LEU 606 CO -0.01 -0.08 0.04 -0.69 0.23 0.00 0.00 176.35 175.84 3ktq s VAL 607 N 1.55 3.78 -0.17 -1.59 1.01 0.10 -2.30 120.40 122.79 3ktq s VAL 607 Ca 0.14 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.48 3ktq s VAL 607 Cb -0.15 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 3ktq s VAL 607 CO 0.08 0.21 -0.02 0.00 0.00 0.00 0.00 175.10 175.37 3ktq s ALA 608 N 1.50 3.03 -0.04 5.51 0.00 0.38 -0.04 121.76 132.10 3ktq s ALA 608 Ca 0.04 -0.88 0.06 0.00 0.00 0.00 0.00 51.96 51.17 3ktq s ALA 608 Cb -0.16 -1.65 -0.01 0.00 0.00 0.00 0.00 23.12 21.30 3ktq s ALA 608 CO 0.01 0.08 -0.20 -0.51 0.00 0.00 0.00 175.76 175.13 3ktq s LEU 609 N 0.60 2.00 -0.05 0.00 1.02 0.32 -0.64 118.68 121.93 3ktq s LEU 609 Ca -0.02 -0.40 -0.02 0.00 0.02 0.00 0.00 54.13 53.71 3ktq s LEU 609 Cb -0.14 -1.11 0.03 0.00 0.02 0.00 0.00 46.19 44.99 3ktq s LEU 609 CO 0.02 0.22 0.09 -0.62 0.02 0.00 0.00 176.35 176.07 3ktq s ASP 610 N -0.22 0.82 0.43 2.29 -1.08 -0.77 0.21 116.67 118.35 3ktq s ASP 610 Ca 0.01 0.15 -0.26 0.00 -0.52 0.00 0.00 52.55 51.93 3ktq s ASP 610 Cb -0.11 -0.01 -0.09 0.00 -1.46 0.00 0.00 42.92 41.26 3ktq s ASP 610 CO 0.01 -0.23 1.39 -0.31 0.52 0.00 0.00 175.17 176.56 3ktq s TYR 611 N 1.99 2.60 -0.02 -5.34 2.02 -0.31 -1.86 117.35 116.42 3ktq s TYR 611 Ca 0.02 1.31 -0.25 0.00 -0.37 0.00 0.00 57.07 57.78 3ktq s TYR 611 Cb -0.12 -3.84 -0.04 0.00 -0.40 0.00 0.00 41.96 37.56 3ktq s TYR 611 CO -0.04 -2.64 0.75 0.45 -1.57 0.00 0.00 175.55 172.51 3ktq s SER 612 N -0.55 7.11 -1.59 2.29 0.15 0.91 -4.03 113.70 117.98 3ktq s SER 612 Ca 0.59 1.33 -0.20 0.00 0.70 0.00 0.00 55.95 58.37 3ktq s SER 612 Cb -0.42 -2.45 0.20 0.00 -1.71 0.00 0.00 66.02 61.64 3ktq s SER 612 CO 0.54 -0.08 0.50 0.00 1.20 0.00 0.00 173.24 175.40 3ktq n GLN 613 N 3.44 -0.83 -0.34 5.44 6.02 -1.26 -4.71 117.38 125.13 3ktq n GLN 613 Ca -0.01 0.12 0.02 0.00 -0.01 0.00 0.00 57.00 57.12 3ktq n GLN 613 Cb 0.51 -4.14 0.09 0.00 1.02 0.00 0.00 30.24 27.72 3ktq n GLN 613 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.06 177.02 3ktq h ILE 614 N -0.73 0.05 0.00 5.09 6.09 -1.93 0.17 117.51 126.24 3ktq h ILE 614 Ca -0.50 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 62.99 3ktq h ILE 614 Cb 1.21 0.05 0.00 0.00 0.47 0.00 0.00 36.82 38.54 3ktq h ILE 614 CO 0.76 0.00 0.00 -0.62 -3.07 0.00 0.00 178.15 175.22 3ktq n GLU 615 N -5.55 0.17 0.05 2.19 1.02 -1.26 -1.53 120.64 115.73 3ktq n GLU 615 Ca 0.13 0.29 -0.06 0.00 -0.02 0.00 0.00 57.16 57.49 3ktq n GLU 615 Cb 0.44 -1.77 -0.11 0.00 -0.02 0.00 0.00 31.44 29.99 3ktq n GLU 615 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3ktq h LEU 616 N 0.00 0.00 0.03 -4.62 3.38 -1.33 -2.64 115.31 110.13 3ktq h LEU 616 Ca 0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 3ktq h LEU 616 Cb 0.49 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.26 3ktq h LEU 616 CO 0.00 0.93 -1.03 0.03 0.09 0.00 0.00 178.44 178.47 3ktq h ARG 617 N 0.00 0.64 -0.49 1.13 3.08 -0.92 -2.65 114.38 115.17 3ktq h ARG 617 Ca -0.07 -0.73 -0.01 0.00 0.07 0.00 0.00 59.98 59.24 3ktq h ARG 617 Cb 1.77 0.22 -0.02 0.00 0.08 0.00 0.00 29.97 32.02 3ktq h ARG 617 CO 0.11 1.31 0.26 0.28 -1.07 0.00 0.00 179.97 180.86 3ktq h VAL 618 N 0.29 1.18 -0.01 2.04 2.07 -1.33 -2.44 116.25 118.04 3ktq h VAL 618 Ca -0.14 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 3ktq h VAL 618 Cb 1.69 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 32.05 3ktq h VAL 618 CO 0.20 0.19 -0.13 0.25 0.02 0.00 0.00 177.57 178.10 3ktq h LEU 619 N 0.65 0.01 -0.73 2.57 5.85 -1.49 0.07 115.31 122.25 3ktq h LEU 619 Ca 0.17 -0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.76 3ktq h LEU 619 Cb 0.07 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 3ktq h LEU 619 CO -0.03 0.15 -0.61 0.00 -0.34 0.00 0.00 178.44 177.61 3ktq h ALA 620 N 1.86 0.94 0.17 1.25 0.00 -1.06 0.15 119.26 122.56 3ktq h ALA 620 Ca 0.00 -0.55 -0.30 0.00 0.00 0.00 0.00 54.91 54.06 3ktq h ALA 620 Cb 0.24 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.95 3ktq h ALA 620 CO 0.02 0.75 -1.38 1.25 0.00 0.00 0.00 179.25 179.89 3ktq h HIS 621 N 0.06 0.65 -0.15 0.00 -0.00 -1.12 0.39 115.15 114.99 3ktq h HIS 621 Ca -0.01 -0.48 -0.18 0.00 -0.00 0.00 0.00 60.37 59.70 3ktq h HIS 621 Cb 1.09 -0.03 0.01 0.00 -0.00 0.00 0.00 27.41 28.49 3ktq h HIS 621 CO 0.01 1.40 -0.62 -0.07 -0.00 0.00 0.00 177.93 178.64 3ktq h LEU 622 N 0.10 0.81 0.00 0.26 3.38 -0.95 -3.27 115.31 115.64 3ktq h LEU 622 Ca -0.20 -0.62 -0.11 0.00 0.09 0.00 0.00 57.88 57.05 3ktq h LEU 622 Cb 2.05 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.54 3ktq h LEU 622 CO 0.22 1.29 -0.75 0.77 0.09 0.00 0.00 178.44 180.06 3ktq h SER 623 N 0.38 0.00 -0.47 -0.43 4.64 -0.81 -3.47 113.55 113.38 3ktq h SER 623 Ca -0.04 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.08 3ktq h SER 623 Cb 1.26 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.27 3ktq h SER 623 CO 0.13 0.46 -0.18 0.61 -0.87 0.00 0.00 176.83 176.97 3ktq n GLY 624 N 1.26 1.07 3.67 -0.77 0.00 0.13 -4.80 105.19 105.73 3ktq n GLY 624 Ca -0.01 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 3ktq n GLY 624 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ktq s ASP 625 N -2.56 6.77 0.28 1.61 2.15 -1.22 -4.91 116.67 118.79 3ktq s ASP 625 Ca 0.00 2.08 -0.01 0.00 0.43 0.00 0.00 52.55 55.06 3ktq s ASP 625 Cb 0.00 -2.54 0.40 0.00 -0.30 0.00 0.00 42.92 40.48 3ktq s ASP 625 CO 0.00 -0.85 1.80 1.05 -0.17 0.00 0.00 175.17 177.01 3ktq h GLU 626 N 8.85 0.78 -0.55 4.34 9.09 -1.91 -0.39 114.58 134.79 3ktq h GLU 626 Ca -0.36 -0.18 -0.02 0.00 0.05 0.00 0.00 59.36 58.86 3ktq h GLU 626 Cb 1.16 -0.11 -0.03 0.00 -1.65 0.00 0.00 28.75 28.13 3ktq h GLU 626 CO 0.95 0.75 0.28 -0.91 0.05 0.00 0.00 179.01 180.12 3ktq h ASN 627 N 0.74 0.70 -0.16 3.06 2.35 -1.91 -0.66 115.58 119.70 3ktq h ASN 627 Ca 0.16 -0.11 -0.22 0.00 -0.55 0.00 0.00 56.30 55.57 3ktq h ASN 627 Cb 0.36 -0.18 0.01 0.00 0.05 0.00 0.00 38.32 38.56 3ktq h ASN 627 CO 0.01 0.61 -0.76 0.25 -1.65 0.00 0.00 177.43 175.89 3ktq h LEU 628 N 0.73 0.94 -1.14 1.61 5.85 -1.78 -2.18 115.31 119.34 3ktq h LEU 628 Ca 0.19 -0.63 -0.06 0.00 0.84 0.00 0.00 57.88 58.23 3ktq h LEU 628 Cb 0.09 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 3ktq h LEU 628 CO -0.03 1.41 -0.01 0.16 -0.34 0.00 0.00 178.44 179.63 3ktq h ILE 629 N 0.52 1.21 -0.51 4.05 3.07 -0.96 -2.16 117.51 122.74 3ktq h ILE 629 Ca -0.05 -0.86 -0.10 0.00 1.55 0.00 0.00 64.86 65.40 3ktq h ILE 629 Cb 1.39 0.95 -0.02 0.00 -0.27 0.00 0.00 36.82 38.87 3ktq h ILE 629 CO 0.16 0.30 -0.07 0.03 -1.05 0.00 0.00 178.15 177.51 3ktq h ARG 630 N 0.56 0.94 -0.82 0.16 3.08 -1.08 -1.22 114.38 115.99 3ktq h ARG 630 Ca 0.12 -0.34 0.17 0.00 0.07 0.00 0.00 59.98 60.00 3ktq h ARG 630 Cb 0.37 -0.07 -0.15 0.00 0.08 0.00 0.00 29.97 30.21 3ktq h ARG 630 CO 0.01 1.00 -0.15 0.28 -1.07 0.00 0.00 179.97 180.04 3ktq h VAL 631 N 0.80 0.20 0.00 2.04 2.07 -0.72 0.40 116.25 121.04 3ktq h VAL 631 Ca 0.13 -0.01 -0.13 0.00 0.82 0.00 0.00 66.70 67.52 3ktq h VAL 631 Cb 0.62 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3ktq h VAL 631 CO 0.04 0.00 -0.66 -0.26 0.02 0.00 0.00 177.57 176.72 3ktq h PHE 632 N 0.02 0.00 0.00 1.57 0.04 -1.41 -1.30 116.94 115.85 3ktq h PHE 632 Ca 0.41 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.18 3ktq h PHE 632 Cb 0.66 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.81 3ktq h PHE 632 CO -0.60 0.58 0.00 1.96 -0.60 0.00 0.00 178.31 179.65 3ktq h GLN 633 N 0.00 0.00 -0.35 1.51 4.20 0.60 -2.57 115.11 118.50 3ktq h GLN 633 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3ktq h GLN 633 Cb 1.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.24 3ktq h GLN 633 CO 0.07 0.00 0.00 0.39 -0.67 0.00 0.00 178.83 178.62 3ktq n GLU 634 N -2.85 2.34 -1.77 1.46 1.02 0.11 -4.97 120.64 115.97 3ktq n GLU 634 Ca 0.02 -2.15 -0.13 0.00 -0.02 0.00 0.00 57.16 54.88 3ktq n GLU 634 Cb 0.33 -1.45 -0.03 0.00 -0.02 0.00 0.00 31.44 30.26 3ktq n GLU 634 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ktq n GLY 635 N 1.28 0.68 3.85 0.62 0.00 -0.97 -5.01 105.19 105.65 3ktq n GLY 635 Ca 0.17 -0.38 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 3ktq n GLY 635 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ktq s ARG 636 N -3.81 3.84 -0.26 1.61 0.52 -0.50 -5.02 118.95 115.34 3ktq s ARG 636 Ca 0.00 0.92 0.01 0.00 -0.52 0.00 0.00 55.73 56.14 3ktq s ARG 636 Cb 0.00 -2.12 0.07 0.00 0.52 0.00 0.00 34.95 33.42 3ktq s ARG 636 CO 0.00 -0.36 -0.04 0.34 0.02 0.00 0.00 175.30 175.26 3ktq s ASP 637 N -3.30 4.05 0.44 0.23 -1.08 -1.26 -4.68 116.67 111.07 3ktq s ASP 637 Ca 0.58 -1.35 0.19 0.00 -0.52 0.00 0.00 52.55 51.45 3ktq s ASP 637 Cb -0.10 -1.26 1.03 0.00 -1.46 0.00 0.00 42.92 41.13 3ktq s ASP 637 CO 0.36 -0.26 1.94 0.40 0.52 0.00 0.00 175.17 178.14 3ktq h ILE 638 N 6.66 0.96 -0.31 4.11 2.04 -1.97 -1.19 117.51 127.81 3ktq h ILE 638 Ca -0.16 -0.89 -0.17 0.00 1.00 0.00 0.00 64.86 64.64 3ktq h ILE 638 Cb 1.06 1.51 -0.00 0.00 -0.74 0.00 0.00 36.82 38.64 3ktq h ILE 638 CO 0.44 0.23 -0.48 0.45 0.00 0.00 0.00 178.15 178.79 3ktq h HIS 639 N 0.00 1.02 -0.34 1.37 3.86 -1.93 -0.15 115.15 118.97 3ktq h HIS 639 Ca -0.00 -0.34 -0.16 0.00 -1.16 0.00 0.00 60.37 58.71 3ktq h HIS 639 Cb 0.49 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 3ktq h HIS 639 CO 0.00 1.14 -0.42 1.15 0.86 0.00 0.00 177.93 180.66 3ktq h THR 640 N 0.66 1.28 -0.20 2.45 2.02 -1.75 0.01 112.91 117.37 3ktq h THR 640 Ca 0.03 -1.60 -0.15 0.00 0.77 0.00 0.00 66.41 65.47 3ktq h THR 640 Cb 1.06 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.92 3ktq h THR 640 CO 0.11 0.53 -0.50 -0.33 0.37 0.00 0.00 175.52 175.70 3ktq h GLU 641 N 0.69 0.56 -0.04 6.66 5.08 -1.12 0.18 114.58 126.59 3ktq h GLU 641 Ca 0.05 -0.33 -0.22 0.00 -1.00 0.00 0.00 59.36 57.86 3ktq h GLU 641 Cb 1.00 0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.28 3ktq h GLU 641 CO 0.10 0.93 -0.89 1.15 -1.00 0.00 0.00 179.01 179.30 3ktq h THR 642 N 0.44 1.35 0.00 1.13 2.02 -0.98 -2.06 112.91 114.80 3ktq h THR 642 Ca 0.02 -2.25 -0.11 0.00 0.77 0.00 0.00 66.41 64.84 3ktq h THR 642 Cb 1.03 2.26 -0.02 0.00 -1.74 0.00 0.00 68.15 69.68 3ktq h THR 642 CO 0.09 0.69 -0.51 0.00 0.37 0.00 0.00 175.52 176.16 3ktq h ALA 643 N 0.68 1.10 -0.19 6.16 0.00 -0.84 0.32 119.26 126.49 3ktq h ALA 643 Ca -0.07 -0.47 -0.16 0.00 0.00 0.00 0.00 54.91 54.21 3ktq h ALA 643 Cb 1.51 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 3ktq h ALA 643 CO 0.16 0.64 -0.53 0.66 0.00 0.00 0.00 179.25 180.18 3ktq h SER 644 N 0.00 0.60 0.38 0.00 4.64 -0.54 -2.53 113.55 116.10 3ktq h SER 644 Ca -0.01 -0.31 -0.02 0.00 -0.47 0.00 0.00 61.79 60.98 3ktq h SER 644 Cb 0.94 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3ktq h SER 644 CO 0.07 1.02 -0.18 -0.25 -0.87 0.00 0.00 176.83 176.61 3ktq h TRP 645 N 0.42 -0.47 -0.65 4.77 7.01 -0.85 0.55 115.95 126.73 3ktq h TRP 645 Ca 0.01 -0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.09 3ktq h TRP 645 Cb 1.07 0.16 -0.11 0.00 -2.10 0.00 0.00 29.16 28.17 3ktq h TRP 645 CO 0.04 -0.16 -0.48 0.52 -2.79 0.00 0.00 178.44 175.58 3ktq h MET 646 N -0.98 -0.20 -0.01 2.65 2.86 -0.38 0.05 114.93 118.92 3ktq h MET 646 Ca -0.05 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3ktq h MET 646 Cb 0.53 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.23 3ktq h MET 646 CO 0.09 -0.13 -0.06 1.19 1.06 0.00 0.00 176.91 179.05 3ktq n PHE 647 N -5.38 0.00 -3.30 -0.22 3.01 -0.96 -4.97 117.46 105.64 3ktq n PHE 647 Ca 0.02 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.37 3ktq n PHE 647 Cb 0.34 -0.07 0.02 0.00 -0.01 0.00 0.00 39.48 39.75 3ktq n PHE 647 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ktq n GLY 648 N 1.19 -1.21 3.26 1.37 0.00 0.03 -5.03 105.19 104.79 3ktq n GLY 648 Ca 0.18 0.51 -0.13 0.00 0.00 0.00 0.00 46.02 46.58 3ktq n GLY 648 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ktq s VAL 649 N -3.11 0.07 0.85 1.61 -7.23 -0.29 -5.03 120.40 107.26 3ktq s VAL 649 Ca 0.12 -0.55 -0.13 0.00 -1.81 0.00 0.00 61.98 59.61 3ktq s VAL 649 Cb -0.03 -0.81 0.08 0.00 0.56 0.00 0.00 36.38 36.18 3ktq s VAL 649 CO 0.79 -0.30 0.99 -0.81 -0.31 0.00 0.00 175.10 175.46 3ktq n PRO 650 N 0.86 -0.06 -0.35 4.82 -0.04 -1.26 -4.59 135.00 134.38 3ktq n PRO 650 Ca -0.20 0.05 0.07 0.00 -0.04 0.00 0.00 63.50 63.39 3ktq n PRO 650 Cb 0.58 -2.27 0.25 0.00 -0.04 0.00 0.00 33.50 32.02 3ktq n PRO 650 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ktq h ARG 651 N -1.23 0.95 0.00 0.54 3.08 -1.93 -0.37 114.38 115.43 3ktq h ARG 651 Ca -0.45 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.54 3ktq h ARG 651 Cb 1.29 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 31.13 3ktq h ARG 651 CO 0.42 0.63 0.00 -0.85 -1.07 0.00 0.00 179.97 179.10 3ktq n GLU 652 N -4.60 0.04 0.01 0.04 0.28 -1.26 -2.14 120.64 113.01 3ktq n GLU 652 Ca 0.18 0.26 0.11 0.00 -0.16 0.00 0.00 57.16 57.55 3ktq n GLU 652 Cb 0.35 -1.50 0.01 0.00 1.43 0.00 0.00 31.44 31.73 3ktq n GLU 652 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3ktq n ALA 653 N -1.45 3.70 -2.20 -1.84 0.00 -0.15 -4.90 120.51 113.67 3ktq n ALA 653 Ca 0.04 -0.45 -0.42 0.00 0.00 0.00 0.00 53.44 52.60 3ktq n ALA 653 Cb 0.13 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 18.63 3ktq n ALA 653 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ktq s VAL 654 N -3.15 3.62 0.39 0.00 1.01 -0.91 -5.00 120.40 116.37 3ktq s VAL 654 Ca 0.05 1.03 0.08 0.00 0.00 0.00 0.00 61.98 63.14 3ktq s VAL 654 Cb 0.15 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 3ktq s VAL 654 CO 0.81 0.01 0.44 1.51 0.00 0.00 0.00 175.10 177.87 3ktq s ASP 655 N 1.85 5.44 0.20 3.32 -4.77 -1.26 -4.93 116.67 116.53 3ktq s ASP 655 Ca 0.65 -0.50 -0.20 0.00 -3.30 0.00 0.00 52.55 49.19 3ktq s ASP 655 Cb -0.33 -0.78 0.15 0.00 -1.09 0.00 0.00 42.92 40.88 3ktq s ASP 655 CO 0.27 -0.60 1.57 -0.65 0.70 0.00 0.00 175.17 176.46 3ktq h PRO 656 N 0.92 -0.10 0.00 2.11 0.11 -1.99 -0.33 132.00 132.71 3ktq h PRO 656 Ca -0.42 0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.67 3ktq h PRO 656 Cb 1.27 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 3ktq h PRO 656 CO 0.53 -0.07 -0.13 -0.07 -0.21 0.00 0.00 178.00 178.05 3ktq h LEU 657 N -0.11 0.00 -0.13 2.35 3.38 -1.97 -0.84 115.31 118.00 3ktq h LEU 657 Ca 0.27 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.05 3ktq h LEU 657 Cb 0.57 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.33 3ktq h LEU 657 CO -0.80 0.13 -0.65 0.24 0.09 0.00 0.00 178.44 177.45 3ktq h MET 658 N 0.00 0.66 -0.55 1.13 2.86 -1.50 -2.77 114.93 114.77 3ktq h MET 658 Ca -0.00 -0.55 -0.09 0.00 -2.06 0.00 0.00 59.70 57.00 3ktq h MET 658 Cb 0.53 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.29 3ktq h MET 658 CO 0.02 1.16 -0.02 -0.09 1.06 0.00 0.00 176.91 179.04 3ktq h ARG 659 N 0.34 0.98 -0.75 1.72 2.43 -0.84 -2.74 114.38 115.51 3ktq h ARG 659 Ca -0.05 -0.32 0.03 0.00 -0.81 0.00 0.00 59.98 58.84 3ktq h ARG 659 Cb 1.29 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.72 3ktq h ARG 659 CO 0.14 0.99 0.49 -0.09 -1.51 0.00 0.00 179.97 179.99 3ktq h ARG 660 N 0.86 0.88 -0.09 0.20 2.43 -1.15 -0.44 114.38 117.07 3ktq h ARG 660 Ca 0.15 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 3ktq h ARG 660 Cb 0.56 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 3ktq h ARG 660 CO 0.03 0.59 -0.15 0.00 -1.51 0.00 0.00 179.97 178.93 3ktq h ALA 661 N 1.56 1.59 0.00 2.80 0.00 -1.19 -2.07 119.26 121.95 3ktq h ALA 661 Ca 0.30 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3ktq h ALA 661 Cb 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3ktq h ALA 661 CO -0.09 0.30 -0.39 0.00 0.00 0.00 0.00 179.25 179.08 3ktq h ALA 662 N 1.72 1.24 -0.57 0.00 0.00 -0.95 -3.17 119.26 117.53 3ktq h ALA 662 Ca 0.03 -0.35 0.11 0.00 0.00 0.00 0.00 54.91 54.70 3ktq h ALA 662 Cb 0.35 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.99 3ktq h ALA 662 CO 0.02 0.48 0.07 0.87 0.00 0.00 0.00 179.25 180.70 3ktq h LYS 663 N 0.00 0.19 0.00 0.00 1.57 -1.20 0.29 116.57 117.42 3ktq h LYS 663 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3ktq h LYS 663 Cb 0.74 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.00 3ktq h LYS 663 CO 0.05 0.13 0.00 0.00 -0.57 0.00 0.00 179.45 179.06 3ktq h THR 664 N 0.20 0.00 0.14 -0.16 1.03 -1.68 -0.22 112.91 112.21 3ktq h THR 664 Ca 0.29 -0.29 -0.32 0.00 -0.01 0.00 0.00 66.41 66.09 3ktq h THR 664 Cb 0.44 1.10 -0.00 0.00 -1.07 0.00 0.00 68.15 68.62 3ktq h THR 664 CO -0.42 0.00 -1.62 0.40 -0.01 0.00 0.00 175.52 173.87 3ktq h ILE 665 N 0.00 0.92 -0.09 0.00 1.08 -0.72 -2.47 117.51 116.24 3ktq h ILE 665 Ca 0.00 -2.42 -0.05 0.00 -0.39 0.00 0.00 64.86 62.00 3ktq h ILE 665 Cb 0.36 2.68 -0.00 0.00 -3.07 0.00 0.00 36.82 36.78 3ktq h ILE 665 CO 0.00 0.78 -0.13 0.78 -0.69 0.00 0.00 178.15 178.88 3ktq h ASN 666 N -0.13 0.28 0.41 1.72 2.35 -0.32 -1.89 115.58 118.00 3ktq h ASN 666 Ca -0.34 -0.53 -0.18 0.00 -0.55 0.00 0.00 56.30 54.70 3ktq h ASN 666 Cb 1.91 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 40.19 3ktq h ASN 666 CO 0.09 0.75 -0.76 -0.26 -1.65 0.00 0.00 177.43 175.61 3ktq h PHE 667 N -0.19 0.38 0.03 1.19 0.04 -1.22 -2.13 116.94 115.04 3ktq h PHE 667 Ca 0.01 -0.18 -0.00 0.00 2.80 0.00 0.00 57.97 60.60 3ktq h PHE 667 Cb 0.69 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.79 3ktq h PHE 667 CO 0.10 0.93 -0.02 0.78 -0.60 0.00 0.00 178.31 179.51 3ktq h GLY 668 N 1.54 -0.04 1.44 -1.45 0.00 -1.48 -1.00 103.07 102.08 3ktq h GLY 668 Ca -0.03 0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.27 3ktq h GLY 668 CO 0.12 -0.02 0.10 -2.08 0.00 0.00 0.00 176.54 174.66 3ktq h VAL 669 N -0.27 1.21 -0.23 4.60 2.07 -1.37 0.31 116.25 122.57 3ktq h VAL 669 Ca -0.00 -0.77 -0.03 0.00 0.82 0.00 0.00 66.70 66.72 3ktq h VAL 669 Cb 0.25 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 3ktq h VAL 669 CO 0.01 0.28 0.02 0.25 0.02 0.00 0.00 177.57 178.15 3ktq h LEU 670 N 0.69 0.37 -2.38 2.57 6.46 -1.28 -3.16 115.31 118.58 3ktq h LEU 670 Ca 0.15 -0.28 -0.09 0.00 -0.12 0.00 0.00 57.88 57.54 3ktq h LEU 670 Cb 0.28 -0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 40.06 3ktq h LEU 670 CO 0.00 0.56 0.11 -1.22 -0.62 0.00 0.00 178.44 177.27 3ktq n TYR 671 N -4.69 1.04 -0.15 1.25 4.01 -0.39 -4.87 117.16 113.36 3ktq n TYR 671 Ca -0.04 -0.61 0.00 0.00 -0.16 0.00 0.00 57.90 57.09 3ktq n TYR 671 Cb 0.21 -0.38 0.00 0.00 -0.31 0.00 0.00 39.34 38.86 3ktq n TYR 671 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ktq n GLY 672 N 0.08 0.92 3.69 2.72 0.00 -1.05 -4.93 105.19 106.61 3ktq n GLY 672 Ca 0.17 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 3ktq n GLY 672 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3ktq n MET 673 N -2.15 1.49 -3.45 1.61 1.56 0.11 -4.98 117.12 111.32 3ktq n MET 673 Ca 0.00 0.55 -0.28 0.00 -0.27 0.00 0.00 57.70 57.70 3ktq n MET 673 Cb 0.00 -2.38 -0.03 0.00 2.15 0.00 0.00 33.22 32.96 3ktq n MET 673 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 3ktq s SER 674 N -0.91 6.43 0.24 6.12 1.04 -1.26 -4.79 113.70 120.57 3ktq s SER 674 Ca 0.70 0.63 -0.05 0.00 0.48 0.00 0.00 55.95 57.70 3ktq s SER 674 Cb -0.45 -2.11 0.44 0.00 0.10 0.00 0.00 66.02 64.00 3ktq s SER 674 CO 0.51 -0.14 1.72 0.00 0.98 0.00 0.00 173.24 176.30 3ktq h ALA 675 N 1.81 0.99 0.05 5.32 0.00 -1.93 0.34 119.26 125.84 3ktq h ALA 675 Ca -0.48 0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.59 3ktq h ALA 675 Cb 1.19 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 3ktq h ALA 675 CO 0.67 -0.25 -0.31 1.25 0.00 0.00 0.00 179.25 180.60 3ktq h HIS 676 N 0.38 -0.86 -0.66 0.00 -0.00 -1.94 0.20 115.15 112.28 3ktq h HIS 676 Ca 0.40 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.75 3ktq h HIS 676 Cb 0.62 0.37 -0.03 0.00 -0.00 0.00 0.00 27.41 28.38 3ktq h HIS 676 CO -0.19 -0.41 0.22 -0.09 -0.00 0.00 0.00 177.93 177.46 3ktq h ARG 677 N -0.50 1.01 0.12 5.26 2.43 -1.81 0.86 114.38 121.75 3ktq h ARG 677 Ca 0.05 -0.21 0.02 0.00 -0.81 0.00 0.00 59.98 59.03 3ktq h ARG 677 Cb 0.56 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 3ktq h ARG 677 CO -0.23 0.87 -0.25 1.25 -1.51 0.00 0.00 179.97 180.10 3ktq h LEU 678 N 0.94 -0.72 -0.35 3.80 6.46 -0.34 0.43 115.31 125.53 3ktq h LEU 678 Ca 0.21 0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 58.04 3ktq h LEU 678 Cb 0.27 0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.46 3ktq h LEU 678 CO -0.01 -0.34 0.16 0.77 -0.62 0.00 0.00 178.44 178.40 3ktq h SER 679 N -0.46 0.45 0.30 1.25 4.64 -0.50 0.33 113.55 119.57 3ktq h SER 679 Ca 0.03 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3ktq h SER 679 Cb 0.48 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3ktq h SER 679 CO -0.15 0.45 0.00 1.67 -0.87 0.00 0.00 176.83 177.94 3ktq n GLN 680 N -4.74 0.09 -0.09 4.77 7.27 0.29 0.11 117.38 125.08 3ktq n GLN 680 Ca -0.01 0.46 -0.13 0.00 0.07 0.00 0.00 57.00 57.40 3ktq n GLN 680 Cb 0.11 -1.72 -0.05 0.00 2.41 0.00 0.00 30.24 30.99 3ktq n GLN 680 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 3ktq n GLU 681 N -1.90 0.52 0.00 3.69 2.13 0.15 -4.27 120.64 120.96 3ktq n GLU 681 Ca 0.01 0.38 0.11 0.00 0.66 0.00 0.00 57.16 58.32 3ktq n GLU 681 Cb 0.11 -1.57 0.60 0.00 0.27 0.00 0.00 31.44 30.84 3ktq n GLU 681 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3ktq n LEU 682 N -4.47 0.00 -3.43 4.31 4.77 0.99 -4.90 117.00 114.28 3ktq n LEU 682 Ca -0.21 0.26 -0.20 0.00 -0.03 0.00 0.00 56.01 55.83 3ktq n LEU 682 Cb 0.52 -0.26 0.06 0.00 -2.33 0.00 0.00 43.42 41.41 3ktq n LEU 682 CO 0.14 -0.06 0.01 0.00 -1.33 0.00 0.00 177.39 176.15 3ktq n ALA 683 N -1.26 -2.37 -2.33 -1.18 0.00 0.31 -5.02 120.51 108.66 3ktq n ALA 683 Ca 0.12 -0.01 -0.17 0.00 0.00 0.00 0.00 53.44 53.38 3ktq n ALA 683 Cb 0.17 -4.45 -0.10 0.00 0.00 0.00 0.00 19.45 15.07 3ktq n ALA 683 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3ktq s ILE 684 N -3.44 0.86 0.45 0.00 -4.36 -0.44 -5.03 121.20 109.25 3ktq s ILE 684 Ca 0.33 -2.01 -0.25 0.00 -0.26 0.00 0.00 60.65 58.46 3ktq s ILE 684 Cb -0.07 -2.47 -0.08 0.00 1.25 0.00 0.00 42.46 41.10 3ktq s ILE 684 CO 0.77 -0.20 1.38 -2.84 0.24 0.00 0.00 174.94 174.29 3ktq s PRO 685 N -3.93 3.67 0.42 0.37 0.02 -1.26 -4.54 135.00 129.76 3ktq s PRO 685 Ca 0.32 2.31 0.20 0.00 0.02 0.00 0.00 61.00 63.84 3ktq s PRO 685 Cb 0.07 -2.61 1.13 0.00 0.02 0.00 0.00 34.50 33.11 3ktq s PRO 685 CO 0.10 -0.79 1.83 -0.92 -0.33 0.00 0.00 177.00 176.90 3ktq h TYR 686 N 2.27 0.52 -0.50 6.54 5.03 -1.92 0.67 116.97 129.57 3ktq h TYR 686 Ca -0.51 0.02 -0.08 0.00 2.58 0.00 0.00 58.73 60.74 3ktq h TYR 686 Cb 1.27 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 39.37 3ktq h TYR 686 CO 0.50 0.10 -0.01 0.93 -1.32 0.00 0.00 178.16 178.37 3ktq h GLU 687 N 0.36 0.89 0.00 1.82 4.39 -1.95 -0.50 114.58 119.59 3ktq h GLU 687 Ca 0.51 -0.29 -0.08 0.00 0.34 0.00 0.00 59.36 59.84 3ktq h GLU 687 Cb 1.36 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.92 3ktq h GLU 687 CO -0.19 0.93 -0.38 1.05 -1.16 0.00 0.00 179.01 179.26 3ktq h GLU 688 N 0.76 0.00 -0.03 2.33 9.09 -1.26 -1.29 114.58 124.18 3ktq h GLU 688 Ca 0.14 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 59.36 3ktq h GLU 688 Cb 0.53 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.62 3ktq h GLU 688 CO 0.03 0.38 -0.81 0.00 0.05 0.00 0.00 179.01 178.65 3ktq h ALA 689 N 1.62 0.56 -0.40 1.06 0.00 -0.87 -2.53 119.26 118.70 3ktq h ALA 689 Ca -0.00 -0.66 -0.05 0.00 0.00 0.00 0.00 54.91 54.19 3ktq h ALA 689 Cb 0.73 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3ktq h ALA 689 CO 0.05 0.83 0.05 0.37 0.00 0.00 0.00 179.25 180.55 3ktq h GLN 690 N 0.18 0.68 -0.41 0.00 4.15 -0.57 -2.75 115.11 116.39 3ktq h GLN 690 Ca -0.04 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.19 3ktq h GLN 690 Cb 1.40 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 29.00 3ktq h GLN 690 CO 0.13 0.74 0.26 0.00 -1.93 0.00 0.00 178.83 178.03 3ktq h ALA 691 N 0.91 0.53 -0.98 3.38 0.00 -1.19 0.10 119.26 122.01 3ktq h ALA 691 Ca 0.12 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3ktq h ALA 691 Cb 0.40 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 3ktq h ALA 691 CO 0.01 -0.00 0.64 0.35 0.00 0.00 0.00 179.25 180.25 3ktq h PHE 692 N 0.55 1.20 -0.23 0.00 3.57 -1.40 0.24 116.94 120.88 3ktq h PHE 692 Ca 0.15 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.58 3ktq h PHE 692 Cb -0.04 -0.40 -0.00 0.00 2.79 0.00 0.00 35.95 38.30 3ktq h PHE 692 CO -0.04 0.69 -0.25 0.82 -2.23 0.00 0.00 178.31 177.30 3ktq h ILE 693 N 1.23 1.32 0.07 1.41 1.08 -1.16 -0.10 117.51 121.36 3ktq h ILE 693 Ca 0.39 -1.42 0.01 0.00 -0.39 0.00 0.00 64.86 63.45 3ktq h ILE 693 Cb 0.02 1.70 -0.02 0.00 -3.07 0.00 0.00 36.82 35.45 3ktq h ILE 693 CO -0.13 0.44 -0.12 -0.33 -0.69 0.00 0.00 178.15 177.32 3ktq h GLU 694 N 0.28 -0.23 -0.45 2.37 4.39 -0.29 -2.95 114.58 117.69 3ktq h GLU 694 Ca 0.04 0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.64 3ktq h GLU 694 Cb 0.81 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.50 3ktq h GLU 694 CO 0.06 -0.16 -0.14 0.07 -1.16 0.00 0.00 179.01 177.68 3ktq h ARG 695 N -0.24 0.85 -0.35 2.33 -0.00 -0.99 -2.54 114.38 113.44 3ktq h ARG 695 Ca 0.02 -0.31 0.08 0.00 -0.00 0.00 0.00 59.98 59.76 3ktq h ARG 695 Cb 0.26 -0.06 -0.08 0.00 -0.00 0.00 0.00 29.97 30.09 3ktq h ARG 695 CO -0.07 0.95 -0.24 -0.92 -0.00 0.00 0.00 179.97 179.68 3ktq h TYR 696 N 0.76 -0.64 0.00 4.08 5.03 -0.84 0.53 116.97 125.89 3ktq h TYR 696 Ca 0.12 0.05 -0.10 0.00 2.58 0.00 0.00 58.73 61.37 3ktq h TYR 696 Cb 0.66 0.33 -0.01 0.00 1.55 0.00 0.00 36.73 39.26 3ktq h TYR 696 CO 0.04 -0.32 -0.47 0.74 -1.32 0.00 0.00 178.16 176.83 3ktq h PHE 697 N -0.20 0.00 -0.23 -3.82 0.04 -1.54 -3.12 116.94 108.07 3ktq h PHE 697 Ca 0.17 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.83 3ktq h PHE 697 Cb 0.47 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 3ktq h PHE 697 CO -0.45 0.47 -0.32 1.96 -0.60 0.00 0.00 178.31 179.38 3ktq h GLN 698 N 0.00 0.47 0.00 1.51 7.50 -0.92 -2.36 115.11 121.31 3ktq h GLN 698 Ca -0.00 -0.20 -0.04 0.00 0.50 0.00 0.00 58.65 58.91 3ktq h GLN 698 Cb 1.26 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 28.77 3ktq h GLN 698 CO 0.06 0.74 -0.17 1.03 -1.50 0.00 0.00 178.83 178.98 3ktq h SER 699 N 0.41 0.00 -2.18 1.46 0.87 -0.86 -3.29 113.55 109.96 3ktq h SER 699 Ca 0.05 0.00 -0.58 0.00 -1.23 0.00 0.00 61.79 60.03 3ktq h SER 699 Cb 0.76 0.00 -0.40 0.00 -0.44 0.00 0.00 62.40 62.31 3ktq h SER 699 CO 0.06 0.17 -0.85 0.49 -0.53 0.00 0.00 176.83 176.17 3ktq n PHE 700 N -3.50 1.45 -0.31 2.24 3.72 -0.91 -4.69 117.46 115.45 3ktq n PHE 700 Ca -0.01 -3.83 0.12 0.00 -0.05 0.00 0.00 57.45 53.68 3ktq n PHE 700 Cb 0.33 -0.40 0.29 0.00 -0.94 0.00 0.00 39.48 38.76 3ktq n PHE 700 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3ktq h PRO 701 N 4.30 0.49 0.00 -1.08 0.13 -1.58 -2.57 132.00 131.70 3ktq h PRO 701 Ca 0.14 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3ktq h PRO 701 Cb 0.79 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.80 3ktq h PRO 701 CO 0.62 0.33 0.00 0.87 -0.23 0.00 0.00 178.00 179.59 3ktq h LYS 702 N 0.51 0.00 0.35 0.86 1.79 -1.91 -3.31 116.57 114.86 3ktq h LYS 702 Ca 0.54 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 59.00 3ktq h LYS 702 Cb 0.95 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 3ktq h LYS 702 CO -0.46 0.00 -0.17 0.28 -1.08 0.00 0.00 179.45 178.02 3ktq h VAL 703 N 0.00 0.67 -0.42 0.50 2.07 -1.77 -0.83 116.25 116.47 3ktq h VAL 703 Ca 0.00 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 3ktq h VAL 703 Cb 0.54 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3ktq h VAL 703 CO 0.00 0.05 0.25 0.03 0.02 0.00 0.00 177.57 177.92 3ktq h ARG 704 N -0.60 0.56 -0.49 1.57 -0.00 -1.74 0.20 114.38 113.88 3ktq h ARG 704 Ca -0.05 -0.04 -0.11 0.00 -0.50 0.00 0.00 59.98 59.28 3ktq h ARG 704 Cb 0.44 -0.12 -0.02 0.00 0.00 0.00 0.00 29.97 30.27 3ktq h ARG 704 CO 0.08 0.39 -0.12 0.00 0.00 0.00 0.00 179.97 180.31 3ktq h ALA 705 N 1.71 0.87 -0.13 0.04 0.00 -1.64 -0.48 119.26 119.63 3ktq h ALA 705 Ca 0.15 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3ktq h ALA 705 Cb -0.03 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3ktq h ALA 705 CO -0.03 0.64 -0.06 2.35 0.00 0.00 0.00 179.25 182.16 3ktq h TRP 706 N 0.81 0.30 -1.00 0.00 7.01 0.30 -1.78 115.95 121.60 3ktq h TRP 706 Ca 0.13 -0.07 0.09 0.00 2.11 0.00 0.00 58.89 61.15 3ktq h TRP 706 Cb 0.65 -0.07 -0.07 0.00 -2.10 0.00 0.00 29.16 27.57 3ktq h TRP 706 CO 0.04 0.59 0.64 0.82 -2.79 0.00 0.00 178.44 177.74 3ktq h ILE 707 N -0.08 1.00 -0.23 2.65 2.04 -0.54 -0.25 117.51 122.11 3ktq h ILE 707 Ca 0.03 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 3ktq h ILE 707 Cb 0.51 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 3ktq h ILE 707 CO 0.02 0.20 0.11 -0.33 0.00 0.00 0.00 178.15 178.14 3ktq h GLU 708 N 1.07 0.34 -0.36 2.37 5.08 -0.88 -2.11 114.58 120.08 3ktq h GLU 708 Ca 0.46 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.65 3ktq h GLU 708 Cb 0.33 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3ktq h GLU 708 CO -0.21 0.35 -0.25 0.87 -1.00 0.00 0.00 179.01 178.77 3ktq h LYS 709 N 0.24 0.73 -0.68 2.33 1.57 -0.76 -1.16 116.57 118.84 3ktq h LYS 709 Ca 0.08 -0.30 0.01 0.00 -1.87 0.00 0.00 60.65 58.56 3ktq h LYS 709 Cb 0.13 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 3ktq h LYS 709 CO -0.01 0.91 0.45 1.15 -0.57 0.00 0.00 179.45 181.38 3ktq h THR 710 N 0.64 1.17 -0.08 -0.16 2.02 -0.90 -0.37 112.91 115.24 3ktq h THR 710 Ca 0.09 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 3ktq h THR 710 Cb 0.75 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 67.33 3ktq h THR 710 CO 0.06 0.17 -0.05 -0.07 0.37 0.00 0.00 175.52 175.99 3ktq h LEU 711 N 0.92 0.18 -0.06 2.58 4.07 -1.22 -0.92 115.31 120.86 3ktq h LEU 711 Ca 0.25 -0.45 0.04 0.00 0.08 0.00 0.00 57.88 57.80 3ktq h LEU 711 Cb -0.11 -0.05 -0.06 0.00 1.08 0.00 0.00 40.66 41.53 3ktq h LEU 711 CO -0.05 0.59 -0.32 -0.08 -1.08 0.00 0.00 178.44 177.50 3ktq h GLU 712 N -0.23 -0.42 -0.87 1.13 4.22 -0.95 0.97 114.58 118.44 3ktq h GLU 712 Ca 0.02 0.03 0.03 0.00 0.08 0.00 0.00 59.36 59.51 3ktq h GLU 712 Cb 0.53 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.83 3ktq h GLU 712 CO 0.01 -0.28 0.57 0.93 -2.18 0.00 0.00 179.01 178.07 3ktq h GLU 713 N -0.43 1.07 -0.59 1.92 4.39 -1.08 -0.79 114.58 119.07 3ktq h GLU 713 Ca 0.08 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 3ktq h GLU 713 Cb 0.55 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 3ktq h GLU 713 CO -0.30 0.71 0.29 0.78 -1.16 0.00 0.00 179.01 179.33 3ktq h GLY 714 N 1.11 0.89 0.74 -3.84 0.00 -0.06 0.53 103.07 102.43 3ktq h GLY 714 Ca 0.34 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 3ktq h GLY 714 CO -0.09 0.39 0.00 3.21 0.00 0.00 0.00 176.54 180.05 3ktq h ARG 715 N 0.83 0.06 0.29 4.80 -0.00 0.57 0.15 114.38 121.08 3ktq h ARG 715 Ca 0.21 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.98 59.66 3ktq h ARG 715 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.04 3ktq h ARG 715 CO -0.03 0.32 -0.14 0.00 0.00 0.00 0.00 179.97 180.12 3ktq h ARG 716 N -0.20 -0.37 -0.27 0.04 3.08 -1.01 -3.31 114.38 112.33 3ktq h ARG 716 Ca 0.01 0.03 -0.10 0.00 0.07 0.00 0.00 59.98 59.99 3ktq h ARG 716 Cb 0.29 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 3ktq h ARG 716 CO 0.00 -0.03 -0.25 -0.09 -1.07 0.00 0.00 179.97 178.53 3ktq h ARG 717 N -0.83 0.53 0.00 0.04 2.43 -0.04 -3.47 114.38 113.04 3ktq h ARG 717 Ca -0.04 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 3ktq h ARG 717 Cb 0.51 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 3ktq h ARG 717 CO 0.06 0.74 0.00 0.41 -1.51 0.00 0.00 179.97 179.68 3ktq n GLY 718 N -0.34 0.17 3.54 2.80 0.00 0.51 -5.03 105.19 106.84 3ktq n GLY 718 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 3ktq n GLY 718 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ktq s TYR 719 N -2.00 0.08 0.37 1.61 1.13 -1.17 -2.27 117.35 115.10 3ktq s TYR 719 Ca 0.00 -0.44 0.08 0.00 -1.41 0.00 0.00 57.07 55.30 3ktq s TYR 719 Cb 0.00 0.30 -0.06 0.00 -1.10 0.00 0.00 41.96 41.10 3ktq s TYR 719 CO 0.00 -0.93 0.05 0.14 -2.51 0.00 0.00 175.55 172.29 3ktq s VAL 720 N -3.93 2.43 0.16 -3.49 -7.23 -0.53 -4.00 120.40 103.81 3ktq s VAL 720 Ca 0.14 -1.92 -0.10 0.00 -1.81 0.00 0.00 61.98 58.29 3ktq s VAL 720 Cb -0.01 -2.87 -0.01 0.00 0.56 0.00 0.00 36.38 34.06 3ktq s VAL 720 CO 0.01 -0.12 0.30 -1.83 -0.31 0.00 0.00 175.10 173.15 3ktq s GLU 721 N -3.75 1.15 0.70 4.82 -1.05 -1.26 -1.73 118.70 117.58 3ktq s GLU 721 Ca 0.36 -1.14 -0.01 0.00 -0.15 0.00 0.00 54.97 54.04 3ktq s GLU 721 Cb 0.03 0.39 0.11 0.00 -0.44 0.00 0.00 34.13 34.21 3ktq s GLU 721 CO 0.20 -0.43 0.96 0.95 0.95 0.00 0.00 175.26 177.89 3ktq s THR 722 N -3.95 2.22 0.33 1.83 -4.23 0.22 -4.44 115.64 107.61 3ktq s THR 722 Ca 0.16 -0.59 0.06 0.00 -1.18 0.00 0.00 61.69 60.14 3ktq s THR 722 Cb 0.03 -2.64 0.30 0.00 1.34 0.00 0.00 72.50 71.54 3ktq s THR 722 CO -0.01 0.00 1.87 0.25 -0.54 0.00 0.00 174.62 176.19 3ktq h LEU 723 N -0.45 0.76 -0.91 4.79 5.85 -1.91 0.26 115.31 123.70 3ktq h LEU 723 Ca -0.38 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.38 3ktq h LEU 723 Cb 1.27 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.19 3ktq h LEU 723 CO 0.43 0.41 0.00 0.49 -0.34 0.00 0.00 178.44 179.43 3ktq n PHE 724 N -4.57 0.12 -0.94 1.25 3.72 -1.26 -4.93 117.46 110.85 3ktq n PHE 724 Ca 0.17 -0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 3ktq n PHE 724 Cb 0.39 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 3ktq n PHE 724 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ktq n GLY 725 N 1.11 0.71 3.74 1.37 0.00 0.92 -4.73 105.19 108.30 3ktq n GLY 725 Ca 0.17 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 3ktq n GLY 725 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ktq s ARG 726 N -2.02 4.58 0.10 1.61 3.52 -1.26 -4.67 118.95 120.81 3ktq s ARG 726 Ca 0.00 1.75 0.05 0.00 -0.13 0.00 0.00 55.73 57.41 3ktq s ARG 726 Cb 0.00 -3.26 -0.04 0.00 -1.56 0.00 0.00 34.95 30.09 3ktq s ARG 726 CO 0.00 0.06 -0.01 1.03 -0.81 0.00 0.00 175.30 175.57 3ktq s ARG 727 N -0.45 2.52 -0.03 5.12 0.52 -1.26 -0.61 118.95 124.75 3ktq s ARG 727 Ca 0.49 -0.86 0.00 0.00 -0.52 0.00 0.00 55.73 54.85 3ktq s ARG 727 Cb -0.30 -2.52 0.03 0.00 0.52 0.00 0.00 34.95 32.68 3ktq s ARG 727 CO 0.36 0.53 0.00 0.50 0.02 0.00 0.00 175.30 176.72 3ktq s ARG 728 N -2.34 0.30 -0.14 3.54 3.52 -0.71 -4.13 118.95 119.00 3ktq s ARG 728 Ca 0.26 0.09 -0.19 0.00 -0.13 0.00 0.00 55.73 55.76 3ktq s ARG 728 Cb -0.12 -0.51 -0.04 0.00 -1.56 0.00 0.00 34.95 32.73 3ktq s ARG 728 CO 0.18 -0.15 0.53 0.71 -0.81 0.00 0.00 175.30 175.76 3ktq s TYR 729 N 1.13 3.47 -0.57 5.12 1.51 -1.26 -1.46 117.35 125.29 3ktq s TYR 729 Ca -0.08 0.91 0.06 0.00 -1.01 0.00 0.00 57.07 56.95 3ktq s TYR 729 Cb -0.13 -2.65 0.25 0.00 -0.11 0.00 0.00 41.96 39.32 3ktq s TYR 729 CO -0.02 0.04 0.67 0.28 -1.11 0.00 0.00 175.55 175.41 3ktq n VAL 730 N 4.05 1.44 -0.01 0.71 0.31 -0.96 -4.93 118.33 118.94 3ktq n VAL 730 Ca -0.05 -4.85 0.11 0.00 -0.01 0.00 0.00 64.34 59.54 3ktq n VAL 730 Cb 0.51 -2.06 0.53 0.00 -0.91 0.00 0.00 33.84 31.92 3ktq n VAL 730 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3ktq h PRO 731 N 4.19 0.31 0.00 5.55 0.13 -1.93 -0.86 132.00 139.39 3ktq h PRO 731 Ca 0.16 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3ktq h PRO 731 Cb 0.73 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.79 3ktq h PRO 731 CO 0.72 0.20 0.00 -0.25 -0.23 0.00 0.00 178.00 178.45 3ktq n ASP 732 N -4.47 0.00 0.04 1.44 9.92 -1.26 -2.27 116.55 119.95 3ktq n ASP 732 Ca 0.07 -0.17 0.07 0.00 -0.53 0.00 0.00 54.79 54.22 3ktq n ASP 732 Cb 0.31 -0.08 0.30 0.00 -0.64 0.00 0.00 41.12 41.00 3ktq n ASP 732 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3ktq n LEU 733 N -1.08 0.18 -0.25 0.64 4.77 -0.33 -2.01 117.00 118.92 3ktq n LEU 733 Ca 0.06 0.56 0.08 0.00 -0.03 0.00 0.00 56.01 56.68 3ktq n LEU 733 Cb 0.05 -0.54 0.13 0.00 -2.33 0.00 0.00 43.42 40.72 3ktq n LEU 733 CO 0.06 -0.43 0.48 -0.62 -1.33 0.00 0.00 177.39 175.55 3ktq n GLU 734 N -1.71 1.15 -2.21 3.23 1.02 -0.96 -4.92 120.64 116.24 3ktq n GLU 734 Ca 0.02 -2.51 -0.36 0.00 -0.02 0.00 0.00 57.16 54.29 3ktq n GLU 734 Cb 0.13 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 3ktq n GLU 734 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ktq s ALA 735 N -2.54 2.75 0.20 0.62 0.00 -0.85 -4.94 121.76 117.02 3ktq s ALA 735 Ca 0.29 0.90 0.08 0.00 0.00 0.00 0.00 51.96 53.24 3ktq s ALA 735 Cb 0.27 -3.39 0.11 0.00 0.00 0.00 0.00 23.12 20.11 3ktq s ALA 735 CO 0.00 -0.81 1.47 0.00 0.00 0.00 0.00 175.76 176.42 3ktq h ARG 736 N 1.40 0.02 -6.26 0.00 2.47 -1.96 -3.42 114.38 106.62 3ktq h ARG 736 Ca -0.50 -0.02 -0.55 0.00 -1.26 0.00 0.00 59.98 57.65 3ktq h ARG 736 Cb 1.26 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.57 3ktq h ARG 736 CO 0.58 0.79 0.91 0.08 0.56 0.00 0.00 179.97 182.89 3ktq s VAL 737 N -3.23 3.93 0.26 2.04 1.01 -1.26 -4.89 120.40 118.25 3ktq s VAL 737 Ca -0.01 1.20 -0.04 0.00 0.00 0.00 0.00 61.98 63.13 3ktq s VAL 737 Cb 0.11 -3.77 0.21 0.00 0.00 0.00 0.00 36.38 32.93 3ktq s VAL 737 CO 0.79 -0.06 1.87 0.50 0.00 0.00 0.00 175.10 178.20 3ktq h LYS 738 N 8.35 1.12 0.22 2.72 3.64 -1.99 -0.13 116.57 130.49 3ktq h LYS 738 Ca -0.34 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 58.90 3ktq h LYS 738 Cb 1.15 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 3ktq h LYS 738 CO 0.94 0.84 -0.31 1.03 -2.27 0.00 0.00 179.45 179.67 3ktq h SER 739 N 1.11 -0.88 -0.03 4.20 0.87 -1.97 0.15 113.55 117.01 3ktq h SER 739 Ca 0.28 0.08 0.03 0.00 -1.23 0.00 0.00 61.79 60.94 3ktq h SER 739 Cb 0.07 0.31 -0.03 0.00 -0.44 0.00 0.00 62.40 62.30 3ktq h SER 739 CO -0.04 -0.38 -0.15 0.58 -0.53 0.00 0.00 176.83 176.31 3ktq h VAL 740 N -0.55 0.61 -0.26 2.23 2.07 -1.92 -2.17 116.25 116.26 3ktq h VAL 740 Ca -0.03 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.54 3ktq h VAL 740 Cb 0.50 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 3ktq h VAL 740 CO -0.09 0.00 -0.02 -0.09 0.02 0.00 0.00 177.57 177.39 3ktq h ARG 741 N -0.24 0.05 -0.18 1.57 2.43 -0.95 0.20 114.38 117.25 3ktq h ARG 741 Ca 0.06 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.16 3ktq h ARG 741 Cb 0.32 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 3ktq h ARG 741 CO -0.17 0.03 -0.18 0.93 -1.51 0.00 0.00 179.97 179.08 3ktq h GLU 742 N 0.05 0.31 -0.17 0.20 5.08 -0.86 0.20 114.58 119.39 3ktq h GLU 742 Ca 0.12 -0.09 -0.15 0.00 -1.00 0.00 0.00 59.36 58.25 3ktq h GLU 742 Cb 0.17 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3ktq h GLU 742 CO -0.23 0.49 -0.53 0.00 -1.00 0.00 0.00 179.01 177.74 3ktq h ALA 743 N 1.53 0.77 -0.23 3.43 0.00 -0.92 -1.73 119.26 122.12 3ktq h ALA 743 Ca 0.05 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 3ktq h ALA 743 Cb 0.49 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3ktq h ALA 743 CO 0.03 0.68 -0.06 0.00 0.00 0.00 0.00 179.25 179.90 3ktq h ALA 744 N 1.05 0.31 -0.99 0.00 0.00 -0.28 -2.82 119.26 116.54 3ktq h ALA 744 Ca 0.01 -0.27 0.13 0.00 0.00 0.00 0.00 54.91 54.79 3ktq h ALA 744 Cb 1.05 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.67 3ktq h ALA 744 CO 0.10 0.11 0.62 0.93 0.00 0.00 0.00 179.25 181.01 3ktq h GLU 745 N 0.17 0.89 -0.48 0.00 5.08 -0.35 0.19 114.58 120.09 3ktq h GLU 745 Ca 0.06 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 3ktq h GLU 745 Cb 0.53 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3ktq h GLU 745 CO 0.02 0.59 -0.20 0.00 -1.00 0.00 0.00 179.01 178.42 3ktq h ARG 746 N 0.92 0.98 0.00 2.33 3.08 -1.13 -2.35 114.38 118.21 3ktq h ARG 746 Ca 0.50 -0.41 -0.09 0.00 0.07 0.00 0.00 59.98 60.05 3ktq h ARG 746 Cb 0.58 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 3ktq h ARG 746 CO -0.27 1.08 -0.45 0.52 -1.07 0.00 0.00 179.97 179.79 3ktq h MET 747 N 0.85 0.00 0.77 0.04 0.00 -1.08 -3.09 114.93 112.42 3ktq h MET 747 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 59.70 59.77 3ktq h MET 747 Cb 0.78 0.00 0.01 0.00 0.00 0.00 0.00 31.60 32.38 3ktq h MET 747 CO 0.06 0.45 -0.37 0.00 0.00 0.00 0.00 176.91 177.05 3ktq h ALA 748 N 1.55 -1.04 -0.00 6.32 0.00 -0.23 -2.83 119.26 123.03 3ktq h ALA 748 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3ktq h ALA 748 Cb 1.04 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.23 3ktq h ALA 748 CO 0.06 -1.00 -0.00 1.97 0.00 0.00 0.00 179.25 180.28 3ktq n PHE 749 N -5.48 0.00 0.03 0.00 1.16 -0.92 -2.86 117.46 109.39 3ktq n PHE 749 Ca -0.14 0.00 -0.19 0.00 -1.87 0.00 0.00 57.45 55.26 3ktq n PHE 749 Cb 0.42 -0.04 -0.14 0.00 -1.61 0.00 0.00 39.48 38.10 3ktq n PHE 749 CO 0.00 0.00 0.00 -0.97 -1.87 0.00 0.00 176.76 173.92 3ktq h ASN 750 N 0.14 0.40 -0.57 5.98 -0.73 -1.55 -3.39 115.58 115.87 3ktq h ASN 750 Ca 0.00 -0.69 0.11 0.00 1.87 0.00 0.00 56.30 57.59 3ktq h ASN 750 Cb 0.08 -0.13 -0.10 0.00 0.27 0.00 0.00 38.32 38.43 3ktq h ASN 750 CO 0.00 1.60 -0.09 -0.03 -0.37 0.00 0.00 177.43 178.54 3ktq h MET 751 N 0.07 0.04 -0.73 6.67 4.05 -1.35 0.15 114.93 123.83 3ktq h MET 751 Ca -0.33 -0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.13 3ktq h MET 751 Cb 2.04 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 32.78 3ktq h MET 751 CO 0.13 0.02 0.45 -1.35 0.23 0.00 0.00 176.91 176.39 3ktq h PRO 752 N 0.04 0.83 0.29 0.39 0.11 -1.75 1.10 132.00 133.02 3ktq h PRO 752 Ca 0.28 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.33 3ktq h PRO 752 Cb 0.44 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.36 3ktq h PRO 752 CO -0.55 0.55 -0.14 0.28 -0.21 0.00 0.00 178.00 177.93 3ktq h VAL 753 N 0.86 0.66 -0.83 3.15 2.07 -1.53 -1.26 116.25 119.38 3ktq h VAL 753 Ca 0.30 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 3ktq h VAL 753 Cb 0.07 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 3ktq h VAL 753 CO -0.13 0.13 0.46 -0.61 0.02 0.00 0.00 177.57 177.44 3ktq h GLN 754 N -0.83 1.15 -0.14 1.57 4.15 -0.65 -2.51 115.11 117.85 3ktq h GLN 754 Ca -0.04 -0.13 -0.14 0.00 0.77 0.00 0.00 58.65 59.11 3ktq h GLN 754 Cb 0.52 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 3ktq h GLN 754 CO 0.07 0.84 -0.52 0.78 -1.93 0.00 0.00 178.83 178.07 3ktq h GLY 755 N 1.15 0.43 1.32 2.39 0.00 0.12 -2.54 103.07 105.94 3ktq h GLY 755 Ca 0.29 -0.48 -0.16 0.00 0.00 0.00 0.00 47.33 46.99 3ktq h GLY 755 CO -0.05 0.43 -0.46 -0.84 0.00 0.00 0.00 176.54 175.61 3ktq h THR 756 N 0.31 1.29 -0.32 4.70 2.02 -1.11 -0.29 112.91 119.50 3ktq h THR 756 Ca 0.01 -1.66 -0.04 0.00 0.77 0.00 0.00 66.41 65.49 3ktq h THR 756 Cb 1.02 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.98 3ktq h THR 756 CO 0.09 0.53 0.01 0.00 0.37 0.00 0.00 175.52 176.52 3ktq h ALA 757 N 0.89 1.42 -0.04 6.16 0.00 -1.38 -0.97 119.26 125.34 3ktq h ALA 757 Ca 0.03 -0.19 -0.21 0.00 0.00 0.00 0.00 54.91 54.55 3ktq h ALA 757 Cb 1.03 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.69 3ktq h ALA 757 CO 0.10 0.41 -0.79 0.00 0.00 0.00 0.00 179.25 178.97 3ktq h ALA 758 N 1.54 0.15 -0.34 0.00 0.00 -1.14 -1.90 119.26 117.57 3ktq h ALA 758 Ca 0.11 -0.62 0.05 0.00 0.00 0.00 0.00 54.91 54.45 3ktq h ALA 758 Cb 0.30 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 3ktq h ALA 758 CO 0.01 0.53 0.07 -0.44 0.00 0.00 0.00 179.25 179.42 3ktq h ASP 759 N 0.22 0.02 0.10 0.00 3.32 -0.82 0.66 116.42 119.92 3ktq h ASP 759 Ca -0.09 0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.03 3ktq h ASP 759 Cb 1.46 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 41.06 3ktq h ASP 759 CO 0.16 0.05 -0.16 -0.07 -1.72 0.00 0.00 179.24 177.49 3ktq h LEU 760 N 0.19 -0.45 -1.05 1.55 4.07 -1.17 -0.10 115.31 118.34 3ktq h LEU 760 Ca 0.16 0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.17 3ktq h LEU 760 Cb 0.18 0.17 -0.04 0.00 1.08 0.00 0.00 40.66 42.05 3ktq h LEU 760 CO -0.21 -0.24 0.51 -0.03 -1.08 0.00 0.00 178.44 177.39 3ktq h MET 761 N -0.32 1.16 -0.70 1.13 4.05 -0.90 -1.55 114.93 117.79 3ktq h MET 761 Ca 0.02 -0.11 -0.07 0.00 -0.28 0.00 0.00 59.70 59.26 3ktq h MET 761 Cb 0.34 -0.24 -0.03 0.00 -0.80 0.00 0.00 31.60 30.87 3ktq h MET 761 CO -0.09 0.82 0.15 0.87 0.23 0.00 0.00 176.91 178.89 3ktq h LYS 762 N 1.18 1.14 -0.35 0.39 1.57 -0.53 -1.87 116.57 118.11 3ktq h LYS 762 Ca 0.31 -0.28 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 3ktq h LYS 762 Cb -0.04 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 3ktq h LYS 762 CO -0.06 1.01 0.10 1.25 -0.57 0.00 0.00 179.45 181.19 3ktq h LEU 763 N 1.08 0.52 -1.31 2.94 6.46 -0.58 -2.19 115.31 122.23 3ktq h LEU 763 Ca 0.22 -0.22 0.02 0.00 -0.12 0.00 0.00 57.88 57.78 3ktq h LEU 763 Cb 0.40 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.15 3ktq h LEU 763 CO 0.01 0.60 0.47 0.00 -0.62 0.00 0.00 178.44 178.90 3ktq h ALA 764 N 0.94 1.52 -0.32 1.25 0.00 -1.10 0.25 119.26 121.80 3ktq h ALA 764 Ca 0.11 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 3ktq h ALA 764 Cb 0.27 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3ktq h ALA 764 CO -0.00 0.44 -0.18 0.52 0.00 0.00 0.00 179.25 180.02 3ktq h MET 765 N 0.94 0.70 -0.42 0.00 2.86 -1.12 0.52 114.93 118.41 3ktq h MET 765 Ca 0.27 -0.32 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 3ktq h MET 765 Cb -0.06 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 3ktq h MET 765 CO -0.06 0.92 0.00 0.28 1.06 0.00 0.00 176.91 179.11 3ktq h VAL 766 N 0.46 1.22 0.21 -2.22 2.07 -0.86 0.37 116.25 117.51 3ktq h VAL 766 Ca 0.07 -0.91 -0.32 0.00 0.82 0.00 0.00 66.70 66.36 3ktq h VAL 766 Cb 0.72 0.91 0.03 0.00 -1.52 0.00 0.00 31.29 31.43 3ktq h VAL 766 CO 0.05 0.32 -1.40 0.11 0.02 0.00 0.00 177.57 176.67 3ktq h LYS 767 N 0.63 0.55 -0.07 1.57 1.57 -0.77 -3.37 116.57 116.68 3ktq h LYS 767 Ca 0.13 -0.87 -0.25 0.00 -1.87 0.00 0.00 60.65 57.79 3ktq h LYS 767 Cb 0.39 0.31 0.02 0.00 0.08 0.00 0.00 32.23 33.03 3ktq h LYS 767 CO 0.01 1.41 -0.92 1.25 -0.57 0.00 0.00 179.45 180.63 3ktq h LEU 768 N 0.18 0.91 -0.51 2.94 5.85 0.22 -3.37 115.31 121.52 3ktq h LEU 768 Ca -0.23 -0.67 0.10 0.00 0.84 0.00 0.00 57.88 57.92 3ktq h LEU 768 Cb 2.09 -0.27 -0.10 0.00 0.37 0.00 0.00 40.66 42.74 3ktq h LEU 768 CO 0.26 1.47 -0.27 0.15 -0.34 0.00 0.00 178.44 179.71 3ktq h PHE 769 N 0.45 -0.72 -0.71 1.25 3.57 -1.09 -1.92 116.94 117.78 3ktq h PHE 769 Ca -0.09 0.06 0.09 0.00 3.53 0.00 0.00 57.97 61.56 3ktq h PHE 769 Cb 1.57 0.39 -0.05 0.00 2.79 0.00 0.00 35.95 40.65 3ktq h PHE 769 CO 0.09 -0.34 0.47 -1.00 -2.23 0.00 0.00 178.31 175.30 3ktq h PRO 770 N -0.15 0.60 -0.18 6.41 0.13 -1.78 -1.79 132.00 135.25 3ktq h PRO 770 Ca 0.23 -0.04 -0.17 0.00 -0.87 0.00 0.00 66.00 65.15 3ktq h PRO 770 Cb 0.51 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 31.50 3ktq h PRO 770 CO -0.60 0.40 -0.60 0.00 -0.23 0.00 0.00 178.00 176.96 3ktq h ARG 771 N 0.62 0.60 -0.46 0.86 2.47 -1.56 -2.28 114.38 114.61 3ktq h ARG 771 Ca 0.32 -0.40 -0.05 0.00 -1.26 0.00 0.00 59.98 58.59 3ktq h ARG 771 Cb 0.44 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.80 3ktq h ARG 771 CO -0.11 1.02 0.10 -0.07 0.56 0.00 0.00 179.97 181.47 3ktq h LEU 772 N 0.44 0.71 -0.51 3.04 3.38 -1.03 -1.63 115.31 119.72 3ktq h LEU 772 Ca -0.00 -0.24 0.07 0.00 0.09 0.00 0.00 57.88 57.80 3ktq h LEU 772 Cb 1.17 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.67 3ktq h LEU 772 CO 0.12 0.77 0.18 -0.33 0.09 0.00 0.00 178.44 179.26 3ktq h GLU 773 N 0.62 0.34 0.00 1.13 5.08 -1.30 0.97 114.58 121.43 3ktq h GLU 773 Ca 0.14 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3ktq h GLU 773 Cb 0.34 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3ktq h GLU 773 CO 0.00 0.22 0.00 0.93 -1.00 0.00 0.00 179.01 179.17 3ktq h GLU 774 N 0.35 0.00 -0.34 2.33 4.39 -0.98 -2.43 114.58 117.91 3ktq h GLU 774 Ca 0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.95 3ktq h GLU 774 Cb 0.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 3ktq h GLU 774 CO -0.26 0.00 0.00 -1.33 -1.16 0.00 0.00 179.01 176.26 3ktq n MET 775 N -3.04 2.28 -0.97 2.33 2.81 0.18 -4.96 117.12 115.75 3ktq n MET 775 Ca -0.01 -2.10 0.00 0.00 -1.81 0.00 0.00 57.70 53.78 3ktq n MET 775 Cb 0.19 -1.43 0.00 0.00 -0.71 0.00 0.00 33.22 31.27 3ktq n MET 775 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ktq n GLY 776 N 1.21 0.30 3.96 3.03 0.00 -0.29 -4.90 105.19 108.51 3ktq n GLY 776 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 3ktq n GLY 776 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ktq s ALA 777 N -1.68 3.84 0.17 4.61 0.00 -0.45 -4.62 121.76 123.64 3ktq s ALA 777 Ca 0.00 -1.16 0.08 0.00 0.00 0.00 0.00 51.96 50.88 3ktq s ALA 777 Cb 0.00 -2.08 -0.04 0.00 0.00 0.00 0.00 23.12 21.00 3ktq s ALA 777 CO 0.00 -0.42 -0.16 1.03 0.00 0.00 0.00 175.76 176.21 3ktq s ARG 778 N -4.56 1.24 -0.26 0.00 0.52 0.17 -4.08 118.95 111.97 3ktq s ARG 778 Ca 0.50 -1.43 -0.06 0.00 -0.52 0.00 0.00 55.73 54.21 3ktq s ARG 778 Cb -0.10 -1.16 -0.01 0.00 0.52 0.00 0.00 34.95 34.19 3ktq s ARG 778 CO 0.37 0.22 0.05 1.41 0.02 0.00 0.00 175.30 177.38 3ktq s MET 779 N -3.05 3.40 -0.22 3.54 1.75 -1.26 -0.85 119.30 122.60 3ktq s MET 779 Ca 0.16 -0.64 -0.16 0.00 -1.25 0.00 0.00 55.69 53.81 3ktq s MET 779 Cb -0.04 -3.28 -0.09 0.00 2.84 0.00 0.00 34.83 34.26 3ktq s MET 779 CO 0.06 -0.28 -0.35 1.28 -0.65 0.00 0.00 175.02 175.08 3ktq n LEU 780 N 4.88 1.91 -4.22 4.11 4.77 -0.34 -4.35 117.00 123.76 3ktq n LEU 780 Ca -0.16 0.33 -0.14 0.00 -0.03 0.00 0.00 56.01 56.01 3ktq n LEU 780 Cb 0.50 -0.76 -0.10 0.00 -2.33 0.00 0.00 43.42 40.73 3ktq n LEU 780 CO 0.31 0.11 -0.41 -0.76 -1.33 0.00 0.00 177.39 175.31 3ktq s LEU 781 N -7.69 2.50 -0.08 2.23 1.43 -0.71 -4.76 118.68 111.60 3ktq s LEU 781 Ca -0.33 -0.97 0.02 0.00 -1.03 0.00 0.00 54.13 51.82 3ktq s LEU 781 Cb 0.09 -0.31 0.02 0.00 0.03 0.00 0.00 46.19 46.02 3ktq s LEU 781 CO 0.45 -0.33 -0.12 -1.58 0.23 0.00 0.00 176.35 175.00 3ktq s GLN 782 N -3.55 1.75 -0.55 1.70 -0.44 -1.26 -0.84 119.66 116.47 3ktq s GLN 782 Ca 0.14 -0.40 0.06 0.00 -2.50 0.00 0.00 55.36 52.65 3ktq s GLN 782 Cb 0.02 -1.52 0.34 0.00 -1.64 0.00 0.00 33.01 30.21 3ktq s GLN 782 CO -0.00 -0.05 0.92 0.28 0.50 0.00 0.00 175.29 176.94 3ktq n VAL 783 N 4.11 2.61 0.00 1.34 0.31 0.14 -4.83 118.33 122.00 3ktq n VAL 783 Ca -0.20 -5.44 0.00 0.00 -0.01 0.00 0.00 64.34 58.69 3ktq n VAL 783 Cb 0.51 -1.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.21 3ktq n VAL 783 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3ktq n HIS 784 N -0.17 0.00 -1.86 3.52 -0.00 -1.26 -3.10 115.22 112.34 3ktq n HIS 784 Ca 0.30 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 58.04 3ktq n HIS 784 Cb 0.43 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.44 3ktq n HIS 784 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 3ktq n ASP 785 N 2.07 0.36 -4.08 0.41 5.75 -1.26 -4.76 116.55 115.04 3ktq n ASP 785 Ca 0.00 -2.16 -0.16 0.00 -0.01 0.00 0.00 54.79 52.46 3ktq n ASP 785 Cb 0.00 -0.24 -0.12 0.00 -1.03 0.00 0.00 41.12 39.73 3ktq n ASP 785 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 3ktq s GLU 786 N -0.43 0.65 -0.04 0.11 2.12 -1.18 -1.16 118.70 118.77 3ktq s GLU 786 Ca 0.05 -0.71 0.04 0.00 0.36 0.00 0.00 54.97 54.71 3ktq s GLU 786 Cb 0.04 -0.54 -0.00 0.00 0.26 0.00 0.00 34.13 33.89 3ktq s GLU 786 CO 0.00 0.12 -0.15 -0.51 -0.54 0.00 0.00 175.26 174.18 3ktq s LEU 787 N -1.30 1.90 -0.25 2.70 1.43 0.13 0.29 118.68 123.57 3ktq s LEU 787 Ca -0.04 -0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 52.73 3ktq s LEU 787 Cb -0.08 -0.87 0.03 0.00 0.03 0.00 0.00 46.19 45.29 3ktq s LEU 787 CO 0.01 0.14 -0.07 -0.69 0.23 0.00 0.00 176.35 175.97 3ktq s VAL 788 N 0.03 2.77 0.43 -1.59 1.01 -0.02 -0.52 120.40 122.51 3ktq s VAL 788 Ca -0.03 -1.13 0.07 0.00 0.00 0.00 0.00 61.98 60.89 3ktq s VAL 788 Cb -0.10 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 3ktq s VAL 788 CO 0.02 0.15 0.26 -0.76 0.00 0.00 0.00 175.10 174.76 3ktq s LEU 789 N 1.29 3.13 -0.07 3.92 1.43 0.95 -1.20 118.68 128.12 3ktq s LEU 789 Ca -0.01 -1.02 -0.01 0.00 -1.03 0.00 0.00 54.13 52.06 3ktq s LEU 789 Cb -0.17 -1.57 0.03 0.00 0.03 0.00 0.00 46.19 44.51 3ktq s LEU 789 CO -0.05 -0.64 -0.02 -0.70 0.23 0.00 0.00 176.35 175.17 3ktq s GLU 790 N -4.01 0.82 0.06 1.70 2.12 -0.03 -0.72 118.70 118.65 3ktq s GLU 790 Ca 0.42 -0.01 0.04 0.00 0.36 0.00 0.00 54.97 55.78 3ktq s GLU 790 Cb 0.01 -1.05 -0.03 0.00 0.26 0.00 0.00 34.13 33.32 3ktq s GLU 790 CO 0.23 -0.24 -0.12 0.00 -0.54 0.00 0.00 175.26 174.59 3ktq s ALA 791 N 1.68 0.94 0.31 6.30 0.00 0.34 0.44 121.76 131.77 3ktq s ALA 791 Ca 0.01 -0.90 -0.29 0.00 0.00 0.00 0.00 51.96 50.78 3ktq s ALA 791 Cb -0.13 -0.04 -0.13 0.00 0.00 0.00 0.00 23.12 22.82 3ktq s ALA 791 CO -0.05 0.09 1.29 -2.30 0.00 0.00 0.00 175.76 174.80 3ktq n PRO 792 N 1.37 2.03 -0.27 0.00 -0.02 -1.26 0.09 135.00 136.94 3ktq n PRO 792 Ca -0.22 0.71 0.07 0.00 -2.02 0.00 0.00 63.50 62.05 3ktq n PRO 792 Cb 0.54 -2.29 0.20 0.00 -0.02 0.00 0.00 33.50 31.93 3ktq n PRO 792 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3ktq h LYS 793 N 2.91 0.16 0.00 -0.52 -0.00 -1.25 0.66 116.57 118.53 3ktq h LYS 793 Ca -0.45 -0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.19 3ktq h LYS 793 Cb 1.29 -0.04 0.00 0.00 -0.00 0.00 0.00 32.23 33.48 3ktq h LYS 793 CO 0.66 0.11 0.00 -0.85 -0.00 0.00 0.00 179.45 179.36 3ktq n GLU 794 N -5.27 0.13 0.00 0.07 -0.00 -1.26 -2.68 120.64 111.63 3ktq n GLU 794 Ca 0.16 0.20 0.00 0.00 -0.00 0.00 0.00 57.16 57.52 3ktq n GLU 794 Cb 0.53 -1.50 0.00 0.00 -0.00 0.00 0.00 31.44 30.47 3ktq n GLU 794 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3ktq n ARG 795 N -1.30 1.66 -0.31 3.44 1.74 0.19 -4.86 116.66 117.23 3ktq n ARG 795 Ca 0.05 -0.17 0.15 0.00 -0.77 0.00 0.00 57.85 57.11 3ktq n ARG 795 Cb 0.08 -0.59 0.32 0.00 -1.02 0.00 0.00 32.46 31.26 3ktq n ARG 795 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ktq h ALA 796 N 0.00 1.40 -0.23 7.54 0.00 -0.25 -1.61 119.26 126.11 3ktq h ALA 796 Ca 0.00 0.22 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 3ktq h ALA 796 Cb 0.10 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3ktq h ALA 796 CO 0.00 -0.49 -0.22 0.93 0.00 0.00 0.00 179.25 179.46 3ktq h GLU 797 N 0.22 0.57 -0.14 0.00 5.08 -1.88 -1.03 114.58 117.40 3ktq h GLU 797 Ca 0.59 -0.30 -0.04 0.00 -1.00 0.00 0.00 59.36 58.61 3ktq h GLU 797 Cb 1.22 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 3ktq h GLU 797 CO -0.66 0.88 -0.10 0.00 -1.00 0.00 0.00 179.01 178.14 3ktq h ALA 798 N 0.67 1.59 -0.04 3.43 0.00 -1.76 0.15 119.26 123.30 3ktq h ALA 798 Ca 0.04 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 3ktq h ALA 798 Cb 0.78 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.50 3ktq h ALA 798 CO 0.06 0.30 -0.54 0.28 0.00 0.00 0.00 179.25 179.35 3ktq h VAL 799 N 0.20 1.41 -0.67 0.00 2.07 -1.20 -1.77 116.25 116.29 3ktq h VAL 799 Ca 0.04 -1.96 -0.03 0.00 0.82 0.00 0.00 66.70 65.58 3ktq h VAL 799 Cb 0.30 2.43 -0.03 0.00 -1.52 0.00 0.00 31.29 32.47 3ktq h VAL 799 CO 0.02 0.57 0.31 0.00 0.02 0.00 0.00 177.57 178.49 3ktq h ALA 800 N 0.38 0.86 -0.37 1.67 0.00 -0.82 -0.63 119.26 120.35 3ktq h ALA 800 Ca -0.06 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.71 3ktq h ALA 800 Cb 1.22 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3ktq h ALA 800 CO 0.11 0.44 0.24 -0.09 0.00 0.00 0.00 179.25 179.95 3ktq h ARG 801 N 0.93 0.47 -0.06 0.00 2.43 -0.71 -1.50 114.38 115.94 3ktq h ARG 801 Ca 0.23 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.35 3ktq h ARG 801 Cb 0.14 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 3ktq h ARG 801 CO -0.03 0.31 -0.05 1.25 -1.51 0.00 0.00 179.97 179.95 3ktq h LEU 802 N 0.49 0.14 -0.21 3.80 5.85 -1.05 -2.85 115.31 121.48 3ktq h LEU 802 Ca 0.14 -0.47 0.00 0.00 0.84 0.00 0.00 57.88 58.40 3ktq h LEU 802 Cb -0.04 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 3ktq h LEU 802 CO -0.04 0.58 0.14 0.00 -0.34 0.00 0.00 178.44 178.77 3ktq h ALA 803 N 0.57 0.26 -0.76 1.25 0.00 -1.12 0.11 119.26 119.57 3ktq h ALA 803 Ca 0.01 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.05 3ktq h ALA 803 Cb 0.53 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.15 3ktq h ALA 803 CO 0.01 -0.26 0.31 -0.22 0.00 0.00 0.00 179.25 179.09 3ktq h LYS 804 N 0.28 0.43 -0.11 0.00 3.64 -1.33 0.75 116.57 120.23 3ktq h LYS 804 Ca 0.08 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 3ktq h LYS 804 Cb -0.03 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.69 3ktq h LYS 804 CO -0.02 0.29 -0.05 0.93 -2.27 0.00 0.00 179.45 178.33 3ktq h GLU 805 N 0.45 0.23 -0.26 1.90 4.39 -1.12 -0.44 114.58 119.72 3ktq h GLU 805 Ca 0.42 -0.10 0.05 0.00 0.34 0.00 0.00 59.36 60.08 3ktq h GLU 805 Cb 0.65 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.24 3ktq h GLU 805 CO -0.41 0.56 -0.04 0.28 -1.16 0.00 0.00 179.01 178.24 3ktq h VAL 806 N -0.11 0.76 -0.05 3.13 2.07 -0.10 -1.81 116.25 120.14 3ktq h VAL 806 Ca 0.03 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.54 3ktq h VAL 806 Cb 0.49 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3ktq h VAL 806 CO 0.01 0.00 0.03 0.24 0.02 0.00 0.00 177.57 177.88 3ktq h MET 807 N 0.03 0.05 -0.02 1.57 2.86 -0.84 -1.46 114.93 117.12 3ktq h MET 807 Ca 0.13 -0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.72 3ktq h MET 807 Cb 0.18 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 3ktq h MET 807 CO -0.25 0.04 -0.17 0.93 1.06 0.00 0.00 176.91 178.52 3ktq h GLU 808 N 0.06 0.02 -0.42 1.72 5.08 -0.88 -3.05 114.58 117.11 3ktq h GLU 808 Ca 0.02 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3ktq h GLU 808 Cb 0.00 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3ktq h GLU 808 CO -0.01 0.20 0.00 0.41 -1.00 0.00 0.00 179.01 178.60 3ktq n GLY 809 N -1.01 3.04 0.39 -3.84 0.00 -0.70 -4.25 105.19 98.83 3ktq n GLY 809 Ca -0.02 -0.66 -0.07 0.00 0.00 0.00 0.00 46.02 45.27 3ktq n GLY 809 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3ktq h VAL 810 N 2.59 0.05 -1.76 1.61 3.04 -1.15 -3.37 116.25 117.25 3ktq h VAL 810 Ca 0.00 0.00 -0.27 0.00 -1.01 0.00 0.00 66.70 65.42 3ktq h VAL 810 Cb 1.07 0.05 -0.29 0.00 -2.01 0.00 0.00 31.29 30.11 3ktq h VAL 810 CO 0.10 0.00 -0.61 -0.47 -1.01 0.00 0.00 177.57 175.58 3ktq s TYR 811 N -5.81 -0.70 0.06 3.17 5.04 -1.26 -4.98 117.35 112.87 3ktq s TYR 811 Ca -0.14 -0.32 -0.38 0.00 -2.44 0.00 0.00 57.07 53.79 3ktq s TYR 811 Cb 0.15 -0.24 -0.18 0.00 0.35 0.00 0.00 41.96 42.04 3ktq s TYR 811 CO 0.67 -1.00 1.22 -2.30 -1.34 0.00 0.00 175.55 172.79 3ktq n PRO 812 N 4.63 0.71 -3.74 4.97 -0.02 -1.26 -5.00 135.00 135.29 3ktq n PRO 812 Ca 0.07 0.26 -0.21 0.00 -2.02 0.00 0.00 63.50 61.60 3ktq n PRO 812 Cb 0.48 -1.83 -0.04 0.00 -0.02 0.00 0.00 33.50 32.09 3ktq n PRO 812 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3ktq n LEU 813 N 2.11 0.00 0.00 2.45 4.77 -1.26 -5.00 117.00 120.07 3ktq n LEU 813 Ca 0.19 -2.09 0.09 0.00 -0.03 0.00 0.00 56.01 54.16 3ktq n LEU 813 Cb 0.15 0.29 0.45 0.00 -2.33 0.00 0.00 43.42 41.99 3ktq n LEU 813 CO 0.62 -0.30 0.74 0.00 -1.33 0.00 0.00 177.39 177.12 3ktq n ALA 814 N -1.91 1.99 -2.92 -1.18 0.00 -1.26 -4.63 120.51 110.60 3ktq n ALA 814 Ca -0.13 -0.09 -0.11 0.00 0.00 0.00 0.00 53.44 53.11 3ktq n ALA 814 Cb 0.42 -1.28 -0.11 0.00 0.00 0.00 0.00 19.45 18.48 3ktq n ALA 814 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ktq s VAL 815 N -2.43 0.27 0.62 0.00 1.01 -1.26 -4.99 120.40 113.61 3ktq s VAL 815 Ca 0.19 -0.88 -0.15 0.00 0.00 0.00 0.00 61.98 61.13 3ktq s VAL 815 Cb 0.12 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 36.10 3ktq s VAL 815 CO 0.25 -0.40 1.08 -2.16 0.00 0.00 0.00 175.10 173.87 3ktq s PRO 816 N -1.34 3.13 -0.36 2.72 0.04 -1.26 -5.01 135.00 132.92 3ktq s PRO 816 Ca -0.12 1.28 -0.06 0.00 0.04 0.00 0.00 61.00 62.14 3ktq s PRO 816 Cb -0.09 -2.00 0.06 0.00 0.04 0.00 0.00 34.50 32.51 3ktq s PRO 816 CO -0.00 -0.97 0.14 -0.51 0.04 0.00 0.00 177.00 175.69 3ktq s LEU 817 N -4.62 4.57 0.11 -3.56 1.43 -1.26 -5.03 118.68 110.32 3ktq s LEU 817 Ca 0.65 -1.35 -0.11 0.00 -1.03 0.00 0.00 54.13 52.29 3ktq s LEU 817 Cb -0.18 -1.87 -0.06 0.00 0.03 0.00 0.00 46.19 44.11 3ktq s LEU 817 CO 0.38 -0.39 0.47 -1.61 0.23 0.00 0.00 176.35 175.43 3ktq s GLU 818 N 1.36 3.85 -0.07 1.70 2.02 -1.26 -4.44 118.70 121.85 3ktq s GLU 818 Ca 0.00 0.30 0.01 0.00 0.02 0.00 0.00 54.97 55.31 3ktq s GLU 818 Cb -0.21 -2.95 0.02 0.00 0.10 0.00 0.00 34.13 31.09 3ktq s GLU 818 CO 0.01 0.51 -0.10 0.08 0.02 0.00 0.00 175.26 175.79 3ktq s VAL 819 N -1.45 1.01 -0.15 2.63 1.01 -1.26 -0.06 120.40 122.13 3ktq s VAL 819 Ca 0.36 -0.37 -0.16 0.00 0.00 0.00 0.00 61.98 61.80 3ktq s VAL 819 Cb -0.14 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 3ktq s VAL 819 CO 0.19 0.34 0.38 -1.83 0.00 0.00 0.00 175.10 174.18 3ktq s GLU 820 N 0.96 4.28 0.10 2.72 1.03 -0.78 -4.90 118.70 122.12 3ktq s GLU 820 Ca -0.09 0.26 0.07 0.00 0.03 0.00 0.00 54.97 55.24 3ktq s GLU 820 Cb -0.15 -3.44 -0.04 0.00 -0.80 0.00 0.00 34.13 29.70 3ktq s GLU 820 CO 0.00 0.17 -0.12 0.08 -1.33 0.00 0.00 175.26 174.06 3ktq s VAL 821 N 0.65 3.27 -0.02 1.83 1.01 -1.26 -1.85 120.40 124.03 3ktq s VAL 821 Ca 0.21 -1.29 -0.07 0.00 0.00 0.00 0.00 61.98 60.83 3ktq s VAL 821 Cb -0.14 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 33.73 3ktq s VAL 821 CO 0.07 0.13 0.14 -0.83 0.00 0.00 0.00 175.10 174.61 3ktq s GLY 822 N -2.14 -0.01 -0.03 4.51 0.00 0.19 -4.98 107.32 104.86 3ktq s GLY 822 Ca 0.20 0.05 0.02 0.00 0.00 0.00 0.00 44.72 45.00 3ktq s GLY 822 CO 0.13 -0.06 -0.09 -0.42 0.00 0.00 0.00 173.10 172.65 3ktq s ILE 823 N -0.91 0.79 0.03 0.90 1.01 -1.17 -0.47 121.20 121.39 3ktq s ILE 823 Ca -0.10 -0.36 -0.29 0.00 0.00 0.00 0.00 60.65 59.91 3ktq s ILE 823 Cb -0.06 -0.71 0.10 0.00 0.01 0.00 0.00 42.46 41.80 3ktq s ILE 823 CO 0.01 0.25 1.20 -0.83 0.00 0.00 0.00 174.94 175.57 3ktq s GLY 824 N 0.26 -0.32 0.08 6.18 0.00 -0.97 -4.45 107.32 108.09 3ktq s GLY 824 Ca -0.04 0.45 0.23 0.00 0.00 0.00 0.00 44.72 45.36 3ktq s GLY 824 CO 0.01 0.69 1.73 1.18 0.00 0.00 0.00 173.10 176.71 3ktq n GLU 825 N -0.53 0.08 -3.98 2.90 -0.58 -1.26 -1.60 120.64 115.66 3ktq n GLU 825 Ca -0.07 0.18 -0.08 0.00 -0.42 0.00 0.00 57.16 56.76 3ktq n GLU 825 Cb 0.62 -1.61 -0.08 0.00 -0.57 0.00 0.00 31.44 29.79 3ktq n GLU 825 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 3ktq s ASP 826 N -3.47 0.24 0.17 1.62 1.47 -1.26 -1.72 116.67 113.73 3ktq s ASP 826 Ca 0.10 -0.87 -0.15 0.00 1.18 0.00 0.00 52.55 52.81 3ktq s ASP 826 Cb 0.14 0.31 0.13 0.00 -0.34 0.00 0.00 42.92 43.16 3ktq s ASP 826 CO 0.44 -0.72 1.72 -0.25 0.68 0.00 0.00 175.17 177.04 3ktq h TRP 827 N 2.85 0.11 -0.32 2.11 2.91 -0.90 0.12 115.95 122.81 3ktq h TRP 827 Ca -0.34 0.03 0.03 0.00 1.13 0.00 0.00 58.89 59.74 3ktq h TRP 827 Cb 1.19 0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 29.82 3ktq h TRP 827 CO 0.45 -0.01 0.15 1.25 -1.03 0.00 0.00 178.44 179.25 3ktq h LEU 828 N 0.19 0.20 -1.08 0.65 5.85 -1.84 -1.99 115.31 117.31 3ktq h LEU 828 Ca 0.21 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.88 3ktq h LEU 828 Cb 0.27 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3ktq h LEU 828 CO -0.29 0.16 -0.11 0.28 -0.34 0.00 0.00 178.44 178.14 3ktq h SER 829 N 0.31 0.51 0.13 1.25 0.02 -1.83 -2.83 113.55 111.12 3ktq h SER 829 Ca 0.14 -0.13 0.02 0.00 -0.84 0.00 0.00 61.79 60.98 3ktq h SER 829 Cb 0.07 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.43 3ktq h SER 829 CO -0.11 0.66 -0.35 0.00 -1.14 0.00 0.00 176.83 175.89 3ktq h ALA 830 N 1.40 -0.62 0.00 3.77 0.00 -0.06 -3.42 119.26 120.33 3ktq h ALA 830 Ca 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ktq h ALA 830 Cb 0.48 0.58 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3ktq h ALA 830 CO 0.03 -0.91 0.00 1.63 0.00 0.00 0.00 179.25 180.00