#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jll n PRO 302 N 0.00 0.84 -3.59 3.69 -0.02 -1.26 -4.66 135.00 130.01 2jll n PRO 302 Ca 0.00 0.30 -0.10 0.00 -2.02 0.00 0.00 63.50 61.67 2jll n PRO 302 Cb 0.00 -1.65 -0.10 0.00 -0.02 0.00 0.00 33.50 31.73 2jll n PRO 302 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2jll s HIS 303 N -0.59 -0.68 -0.06 6.00 2.46 -0.81 -4.41 115.29 117.20 2jll s HIS 303 Ca 0.69 1.18 -0.30 0.00 0.47 0.00 0.00 55.06 57.10 2jll s HIS 303 Cb -0.87 0.13 -0.04 0.00 -0.13 0.00 0.00 32.58 31.67 2jll s HIS 303 CO 0.56 -0.50 1.28 0.42 -2.47 0.00 0.00 174.74 174.02 2jll s ILE 304 N 2.54 4.10 -0.14 0.89 1.01 -1.26 -1.14 121.20 127.19 2jll s ILE 304 Ca 0.02 1.42 0.19 0.00 0.00 0.00 0.00 60.65 62.29 2jll s ILE 304 Cb -0.13 -3.91 -0.28 0.00 0.01 0.00 0.00 42.46 38.15 2jll s ILE 304 CO -0.12 -0.03 0.22 2.30 0.00 0.00 0.00 174.94 177.31 2jll n ILE 305 N 4.79 0.88 -3.73 2.92 -5.35 0.13 -4.94 119.36 114.05 2jll n ILE 305 Ca 0.12 -0.73 -0.14 0.00 -0.27 0.00 0.00 62.75 61.74 2jll n ILE 305 Cb 0.45 -0.29 -0.14 0.00 -1.74 0.00 0.00 39.64 37.92 2jll n ILE 305 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2jll s GLN 306 N -2.87 0.12 -0.46 6.28 0.74 -1.02 -4.99 119.66 117.47 2jll s GLN 306 Ca -0.09 0.46 0.07 0.00 0.05 0.00 0.00 55.36 55.85 2jll s GLN 306 Cb 0.09 -0.17 0.18 0.00 1.10 0.00 0.00 33.01 34.22 2jll s GLN 306 CO 0.86 -0.19 0.68 -1.17 -0.55 0.00 0.00 175.29 174.92 2jll s LEU 307 N 1.39 -1.48 0.32 3.68 2.96 -1.26 -0.54 118.68 123.74 2jll s LEU 307 Ca -0.07 -1.18 -0.09 0.00 -0.22 0.00 0.00 54.13 52.57 2jll s LEU 307 Cb -0.11 1.92 -0.06 0.00 0.50 0.00 0.00 46.19 48.43 2jll s LEU 307 CO -0.07 -0.12 0.64 -0.54 -1.32 0.00 0.00 176.35 174.95 2jll s LYS 308 N 1.43 3.76 0.38 1.98 1.02 -1.26 -4.76 119.74 122.29 2jll s LYS 308 Ca 0.22 0.29 -0.27 0.00 0.02 0.00 0.00 55.97 56.22 2jll s LYS 308 Cb -0.02 -2.54 -0.10 0.00 -0.52 0.00 0.00 37.83 34.65 2jll s LYS 308 CO -0.06 0.15 1.38 -0.80 -0.92 0.00 0.00 175.35 175.09 2jll s ASN 309 N -2.90 6.42 0.14 2.83 0.01 -1.26 -4.72 114.94 115.45 2jll s ASN 309 Ca 0.48 2.83 0.11 0.00 -0.71 0.00 0.00 52.86 55.57 2jll s ASN 309 Cb -0.11 -2.65 -0.04 0.00 0.41 0.00 0.00 41.25 38.86 2jll s ASN 309 CO 0.27 -0.80 -0.27 -1.61 -1.51 0.00 0.00 177.10 173.19 2jll s GLU 310 N -2.08 1.41 -0.02 -0.60 0.41 -0.86 -4.99 118.70 111.97 2jll s GLU 310 Ca 0.53 -1.37 0.05 0.00 -0.41 0.00 0.00 54.97 53.77 2jll s GLU 310 Cb -0.42 -1.89 -0.01 0.00 -1.78 0.00 0.00 34.13 30.03 2jll s GLU 310 CO 0.56 0.44 -0.17 0.95 -0.49 0.00 0.00 175.26 176.55 2jll s THR 311 N -1.14 1.38 0.35 3.63 -4.23 -1.26 -0.57 115.64 113.79 2jll s THR 311 Ca 0.15 -0.73 -0.00 0.00 -1.18 0.00 0.00 61.69 59.93 2jll s THR 311 Cb -0.10 -1.16 0.00 0.00 1.34 0.00 0.00 72.50 72.58 2jll s THR 311 CO 0.06 0.39 0.46 1.07 -0.54 0.00 0.00 174.62 176.07 2jll n THR 312 N 2.83 0.00 -4.31 3.99 5.66 -0.31 -4.96 114.28 117.18 2jll n THR 312 Ca -0.16 -1.89 -0.28 0.00 -3.05 0.00 0.00 64.05 58.67 2jll n THR 312 Cb 0.54 1.12 -0.10 0.00 -1.55 0.00 0.00 70.33 70.33 2jll n THR 312 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 2jll s TYR 313 N -2.97 2.56 0.24 1.09 -0.85 -1.26 0.10 117.35 116.25 2jll s TYR 313 Ca 0.31 -0.25 -0.31 0.00 -0.52 0.00 0.00 57.07 56.29 2jll s TYR 313 Cb -0.01 -1.29 -0.13 0.00 0.38 0.00 0.00 41.96 40.91 2jll s TYR 313 CO 0.22 0.46 1.52 -1.91 -1.52 0.00 0.00 175.55 174.33 2jll n GLU 314 N 0.37 2.31 -0.02 -3.49 2.13 0.03 -0.89 120.64 121.09 2jll n GLU 314 Ca -0.13 0.83 0.00 0.00 0.66 0.00 0.00 57.16 58.52 2jll n GLU 314 Cb 0.54 -2.56 0.00 0.00 0.27 0.00 0.00 31.44 29.70 2jll n GLU 314 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2jll n ASN 315 N 2.56 0.00 -3.12 4.31 3.02 0.16 -4.91 115.26 117.28 2jll n ASN 315 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 2jll n ASN 315 Cb 0.33 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 2jll n ASN 315 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jll n GLY 316 N -2.00 0.41 3.25 7.41 0.00 -0.07 -4.14 105.19 110.05 2jll n GLY 316 Ca 0.00 -1.43 -0.11 0.00 0.00 0.00 0.00 46.02 44.48 2jll n GLY 316 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2jll s GLN 317 N 0.00 0.86 0.05 1.61 -2.07 -1.26 -1.07 119.66 117.78 2jll s GLN 317 Ca 0.00 -0.66 -0.09 0.00 -1.82 0.00 0.00 55.36 52.80 2jll s GLN 317 Cb 0.00 0.37 0.00 0.00 -1.09 0.00 0.00 33.01 32.29 2jll s GLN 317 CO 0.00 -0.29 0.18 0.54 -1.32 0.00 0.00 175.29 174.40 2jll s VAL 318 N -3.10 0.12 -0.14 3.63 0.11 -0.35 -4.86 120.40 115.82 2jll s VAL 318 Ca -0.01 -1.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.04 2jll s VAL 318 Cb 0.01 -1.03 0.02 0.00 -1.53 0.00 0.00 36.38 33.86 2jll s VAL 318 CO -0.07 -0.55 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.14 2jll s THR 319 N -2.92 1.42 -0.13 5.04 2.01 -1.26 -1.23 115.64 118.57 2jll s THR 319 Ca -0.02 -0.54 -0.12 0.00 0.31 0.00 0.00 61.69 61.32 2jll s THR 319 Cb 0.01 -1.36 -0.05 0.00 0.01 0.00 0.00 72.50 71.11 2jll s THR 319 CO -0.06 0.43 0.25 -0.76 -0.69 0.00 0.00 174.62 173.79 2jll s LEU 320 N 1.55 4.31 -0.10 4.42 1.43 0.33 -4.90 118.68 125.72 2jll s LEU 320 Ca 0.05 0.54 0.00 0.00 -1.03 0.00 0.00 54.13 53.69 2jll s LEU 320 Cb -0.13 -2.29 0.02 0.00 0.03 0.00 0.00 46.19 43.82 2jll s LEU 320 CO -0.10 0.23 -0.09 0.68 0.23 0.00 0.00 176.35 177.30 2jll s VAL 321 N -0.18 1.08 -0.23 -1.59 -7.23 -1.26 0.71 120.40 111.70 2jll s VAL 321 Ca 0.16 -0.35 -0.06 0.00 -1.81 0.00 0.00 61.98 59.92 2jll s VAL 321 Cb -0.13 -1.06 -0.02 0.00 0.56 0.00 0.00 36.38 35.72 2jll s VAL 321 CO 0.05 0.37 0.02 0.00 -0.31 0.00 0.00 175.10 175.23 2jll s ASP 323 N 1.52 5.14 -0.02 0.00 1.01 0.30 -1.02 116.67 123.61 2jll s ASP 323 Ca 0.06 -0.09 0.01 0.00 0.71 0.00 0.00 52.55 53.24 2jll s ASP 323 Cb -0.15 -1.88 0.01 0.00 1.01 0.00 0.00 42.92 41.91 2jll s ASP 323 CO 0.01 0.11 -0.03 0.00 0.21 0.00 0.00 175.17 175.46 2jll s ALA 324 N 0.75 0.39 0.58 5.23 0.00 -0.41 0.17 121.76 128.46 2jll s ALA 324 Ca 0.01 -0.07 0.01 0.00 0.00 0.00 0.00 51.96 51.92 2jll s ALA 324 Cb -0.14 -0.20 0.05 0.00 0.00 0.00 0.00 23.12 22.83 2jll s ALA 324 CO 0.02 0.03 0.81 -1.21 0.00 0.00 0.00 175.76 175.42 2jll s GLU 325 N 0.34 2.42 0.00 0.00 2.02 -0.29 -4.65 118.70 118.55 2jll s GLU 325 Ca -0.04 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.15 2jll s GLU 325 Cb -0.07 -2.45 0.00 0.00 0.10 0.00 0.00 34.13 31.71 2jll s GLU 325 CO -0.01 -0.83 0.00 0.41 0.02 0.00 0.00 175.26 174.86 2jll n GLY 326 N -2.43 4.68 3.05 -1.39 0.00 -1.26 -1.92 105.19 105.92 2jll n GLY 326 Ca 0.09 -1.16 -0.30 0.00 0.00 0.00 0.00 46.02 44.65 2jll n GLY 326 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jll s GLU 327 N -4.45 2.37 1.03 1.61 0.41 -1.26 -2.81 118.70 115.60 2jll s GLU 327 Ca 0.00 -0.60 -0.12 0.00 -0.41 0.00 0.00 54.97 53.85 2jll s GLU 327 Cb 0.00 -2.07 0.21 0.00 -1.78 0.00 0.00 34.13 30.49 2jll s GLU 327 CO 0.00 -0.15 1.08 -2.14 -0.49 0.00 0.00 175.26 173.56 2jll s PRO 328 N 1.23 0.11 0.00 0.39 0.02 -1.26 -3.41 135.00 132.08 2jll s PRO 328 Ca -0.01 1.07 -0.30 0.00 0.02 0.00 0.00 61.00 61.79 2jll s PRO 328 Cb -0.14 -1.66 -0.08 0.00 0.02 0.00 0.00 34.50 32.64 2jll s PRO 328 CO -0.07 -3.10 1.98 0.42 -0.33 0.00 0.00 177.00 175.91 2jll s ILE 329 N -2.61 3.04 0.45 2.83 -1.09 -1.12 -4.82 121.20 117.89 2jll s ILE 329 Ca 0.67 0.05 -0.24 0.00 -2.23 0.00 0.00 60.65 58.90 2jll s ILE 329 Cb -0.23 -3.04 -0.09 0.00 -1.58 0.00 0.00 42.46 37.53 2jll s ILE 329 CO 0.61 -0.01 1.26 -2.65 -1.23 0.00 0.00 174.94 172.92 2jll n PRO 330 N 7.66 1.81 -3.80 2.79 -0.02 -1.26 -4.94 135.00 137.25 2jll n PRO 330 Ca 0.21 0.65 -0.33 0.00 -2.02 0.00 0.00 63.50 62.00 2jll n PRO 330 Cb 0.42 -2.39 -0.05 0.00 -0.02 0.00 0.00 33.50 31.46 2jll n PRO 330 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2jll s GLU 331 N -2.35 3.54 -0.05 -0.52 -6.30 -0.12 -4.28 118.70 108.61 2jll s GLU 331 Ca 0.64 -0.18 0.04 0.00 -2.50 0.00 0.00 54.97 52.97 2jll s GLU 331 Cb -0.49 -3.05 0.00 0.00 0.00 0.00 0.00 34.13 30.60 2jll s GLU 331 CO 0.56 0.62 -0.16 0.42 0.02 0.00 0.00 175.26 176.72 2jll s ILE 332 N -1.38 1.36 -0.02 -3.70 1.01 -1.26 0.17 121.20 117.37 2jll s ILE 332 Ca 0.30 -0.65 0.04 0.00 0.00 0.00 0.00 60.65 60.34 2jll s ILE 332 Cb -0.13 -1.19 -0.01 0.00 0.01 0.00 0.00 42.46 41.15 2jll s ILE 332 CO 0.19 0.40 -0.14 -0.89 0.00 0.00 0.00 174.94 174.50 2jll s THR 333 N 0.25 1.15 -0.11 2.92 2.01 -0.17 -4.81 115.64 116.87 2jll s THR 333 Ca -0.08 -0.61 -0.04 0.00 0.31 0.00 0.00 61.69 61.27 2jll s THR 333 Cb -0.13 -0.96 -0.04 0.00 0.01 0.00 0.00 72.50 71.38 2jll s THR 333 CO 0.03 0.33 0.04 0.26 -0.69 0.00 0.00 174.62 174.59 2jll s TRP 334 N -0.27 3.28 -0.09 4.92 0.52 -0.06 -1.15 118.94 126.09 2jll s TRP 334 Ca 0.04 0.24 0.03 0.00 0.02 0.00 0.00 56.10 56.43 2jll s TRP 334 Cb -0.06 -1.88 0.01 0.00 -1.15 0.00 0.00 33.47 30.39 2jll s TRP 334 CO -0.00 0.47 -0.16 0.21 0.02 0.00 0.00 176.95 177.48 2jll s LYS 335 N -0.67 2.19 -0.40 4.98 2.20 0.10 0.59 119.74 128.73 2jll s LYS 335 Ca 0.11 -0.58 -0.25 0.00 -0.36 0.00 0.00 55.97 54.90 2jll s LYS 335 Cb -0.12 -1.77 0.02 0.00 -1.51 0.00 0.00 37.83 34.45 2jll s LYS 335 CO 0.02 0.05 0.87 0.50 -0.36 0.00 0.00 175.35 176.43 2jll s ARG 336 N 0.65 3.69 0.26 4.03 3.52 0.11 -0.79 118.95 130.42 2jll s ARG 336 Ca -0.14 0.33 -0.03 0.00 -0.13 0.00 0.00 55.73 55.76 2jll s ARG 336 Cb -0.16 -3.85 0.53 0.00 -1.56 0.00 0.00 34.95 29.91 2jll s ARG 336 CO 0.04 -1.01 1.70 0.00 -0.81 0.00 0.00 175.30 175.22 2jll h ALA 337 N 8.68 1.10 -0.13 6.12 0.00 -1.74 0.82 119.26 134.11 2jll h ALA 337 Ca -0.24 0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.86 2jll h ALA 337 Cb 1.08 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 2jll h ALA 337 CO 0.97 -0.31 -0.08 -0.24 0.00 0.00 0.00 179.25 179.59 2jll h VAL 338 N 0.34 0.75 -0.00 0.00 3.04 -1.92 -3.19 116.25 115.27 2jll h VAL 338 Ca 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.14 2jll h VAL 338 Cb 0.78 0.75 0.00 0.00 -2.01 0.00 0.00 31.29 30.81 2jll h VAL 338 CO -0.49 0.00 -0.03 -0.90 -1.01 0.00 0.00 177.57 175.14 2jll n ASP 339 N -5.22 1.19 -0.57 3.17 5.68 -1.17 -5.00 116.55 114.64 2jll n ASP 339 Ca -0.03 -1.09 -0.07 0.00 -0.50 0.00 0.00 54.79 53.09 2jll n ASP 339 Cb 0.14 0.16 -0.03 0.00 -1.14 0.00 0.00 41.12 40.25 2jll n ASP 339 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jll n GLY 340 N 0.39 0.94 3.75 6.12 0.00 0.28 -4.99 105.19 111.68 2jll n GLY 340 Ca 0.02 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.05 2jll n GLY 340 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jll s PHE 341 N -2.24 2.42 0.06 1.61 0.08 -1.19 -4.64 117.98 114.07 2jll s PHE 341 Ca 0.00 1.49 0.08 0.00 0.12 0.00 0.00 56.93 58.63 2jll s PHE 341 Cb 0.00 -3.53 -0.03 0.00 -0.57 0.00 0.00 43.02 38.89 2jll s PHE 341 CO 0.00 -2.27 -0.21 0.99 -0.10 0.00 0.00 175.22 173.63 2jll s THR 342 N -1.53 2.54 -0.00 0.64 2.01 -1.26 0.09 115.64 118.13 2jll s THR 342 Ca 0.75 -1.33 0.01 0.00 0.31 0.00 0.00 61.69 61.43 2jll s THR 342 Cb -0.32 -2.06 -0.00 0.00 0.01 0.00 0.00 72.50 70.12 2jll s THR 342 CO 0.36 0.30 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.18 2jll s PHE 343 N -0.92 0.42 0.19 4.92 0.08 0.20 -4.97 117.98 117.90 2jll s PHE 343 Ca 0.14 -0.08 0.00 0.00 0.12 0.00 0.00 56.93 57.11 2jll s PHE 343 Cb -0.10 -0.28 -0.00 0.00 -0.57 0.00 0.00 43.02 42.07 2jll s PHE 343 CO 0.05 -0.01 0.24 0.25 -0.10 0.00 0.00 175.22 175.64 2jll n THR 344 N 3.00 0.00 -0.48 0.64 -2.24 -1.26 -0.88 114.28 113.06 2jll n THR 344 Ca -0.13 -1.07 0.00 0.00 -2.27 0.00 0.00 64.05 60.58 2jll n THR 344 Cb 0.58 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 2jll n THR 344 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jll n GLU 345 N -0.32 0.00 0.00 -0.78 -0.58 -1.26 -4.63 120.64 113.06 2jll n GLU 345 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 2jll n GLU 345 Cb 0.32 -0.79 0.00 0.00 -0.57 0.00 0.00 31.44 30.40 2jll n GLU 345 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2jll n LYS 348 N 2.14 0.00 -1.13 3.49 4.01 -1.26 -4.62 118.16 120.79 2jll n LYS 348 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2jll n LYS 348 Cb 0.04 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.56 2jll n LYS 348 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 2jll n SER 349 N -3.17 1.26 0.00 4.39 3.41 0.26 -4.09 113.62 115.68 2jll n SER 349 Ca 0.00 -0.70 0.00 0.00 -0.26 0.00 0.00 58.87 57.91 2jll n SER 349 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2jll n SER 349 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jll n LEU 350 N 0.00 0.00 0.22 1.04 4.77 -1.26 -1.67 117.00 120.10 2jll n LEU 350 Ca 0.00 0.62 0.11 0.00 -0.03 0.00 0.00 56.01 56.71 2jll n LEU 350 Cb 0.00 -0.12 0.61 0.00 -2.33 0.00 0.00 43.42 41.58 2jll n LEU 350 CO 0.00 -0.12 0.92 -2.24 -1.33 0.00 0.00 177.39 174.62 2jll h ASP 351 N 0.00 0.00 0.00 -1.43 3.04 -2.00 -3.44 116.42 112.59 2jll h ASP 351 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2jll h ASP 351 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2jll h ASP 351 CO 0.00 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.81 2jll n GLY 352 N -1.25 0.48 0.16 7.15 0.00 -0.67 -4.89 105.19 106.18 2jll n GLY 352 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 2jll n GLY 352 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2jll h ARG 353 N 1.09 0.40 -5.30 1.61 3.08 -1.86 -3.44 114.38 109.96 2jll h ARG 353 Ca 0.00 -0.39 -0.64 0.00 0.07 0.00 0.00 59.98 59.02 2jll h ARG 353 Cb 0.14 0.10 -0.22 0.00 0.08 0.00 0.00 29.97 30.07 2jll h ARG 353 CO 0.00 1.05 -0.67 -1.50 -1.07 0.00 0.00 179.97 177.78 2jll s ILE 354 N -3.40 3.86 -0.00 2.04 1.10 -1.26 -0.86 121.20 122.68 2jll s ILE 354 Ca -0.06 -0.37 -0.03 0.00 -0.51 0.00 0.00 60.65 59.68 2jll s ILE 354 Cb 0.09 -2.69 -0.00 0.00 0.15 0.00 0.00 42.46 40.01 2jll s ILE 354 CO 0.86 0.49 0.06 -1.61 -2.11 0.00 0.00 174.94 172.63 2jll s GLU 355 N 0.37 0.31 -0.07 3.50 2.02 -0.58 -0.57 118.70 123.68 2jll s GLU 355 Ca -0.04 -0.33 0.05 0.00 0.02 0.00 0.00 54.97 54.66 2jll s GLU 355 Cb -0.14 0.12 -0.01 0.00 0.10 0.00 0.00 34.13 34.20 2jll s GLU 355 CO 0.03 -0.06 -0.23 0.08 0.02 0.00 0.00 175.26 175.10 2jll s VAL 356 N -1.02 2.27 -0.02 2.63 1.01 -1.26 -1.34 120.40 122.68 2jll s VAL 356 Ca -0.11 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 60.92 2jll s VAL 356 Cb -0.07 -1.85 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 2jll s VAL 356 CO 0.00 0.57 -0.13 -0.54 0.00 0.00 0.00 175.10 175.00 2jll s LYS 357 N -0.15 1.14 0.14 2.72 1.02 -0.56 -4.44 119.74 119.60 2jll s LYS 357 Ca -0.03 -0.44 0.07 0.00 0.02 0.00 0.00 55.97 55.58 2jll s LYS 357 Cb -0.14 -1.07 -0.04 0.00 -0.52 0.00 0.00 37.83 36.07 2jll s LYS 357 CO 0.04 0.23 -0.02 0.20 -0.92 0.00 0.00 175.35 174.88 2jll s GLY 358 N -0.12 1.80 -0.32 -3.33 0.00 -1.26 -1.38 107.32 102.71 2jll s GLY 358 Ca 0.02 -1.27 0.18 0.00 0.00 0.00 0.00 44.72 43.64 2jll s GLY 358 CO 0.00 -1.27 1.01 -0.18 0.00 0.00 0.00 173.10 172.66 2jll n GLN 359 N 0.23 1.57 -2.84 2.90 -0.06 0.10 -5.00 117.38 114.28 2jll n GLN 359 Ca -0.11 -3.46 -0.01 0.00 -2.00 0.00 0.00 57.00 51.43 2jll n GLN 359 Cb 0.54 -1.45 -0.01 0.00 -4.06 0.00 0.00 30.24 25.25 2jll n GLN 359 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 2jll n HIS 360 N -0.25 -2.83 -0.75 3.69 8.25 -1.26 -4.02 115.22 118.05 2jll n HIS 360 Ca 0.12 1.39 0.00 0.00 -0.26 0.00 0.00 57.72 58.98 2jll n HIS 360 Cb 0.81 -3.03 0.00 0.00 1.12 0.00 0.00 29.99 28.89 2jll n HIS 360 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jll n GLY 361 N 1.25 0.75 3.37 -1.41 0.00 -1.26 -5.01 105.19 102.88 2jll n GLY 361 Ca -0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 2jll n GLY 361 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jll s SER 362 N -2.51 -0.49 0.14 1.61 0.15 -1.26 -1.29 113.70 110.06 2jll s SER 362 Ca 0.00 0.90 0.06 0.00 0.70 0.00 0.00 55.95 57.60 2jll s SER 362 Cb 0.00 0.92 -0.04 0.00 -1.71 0.00 0.00 66.02 65.19 2jll s SER 362 CO 0.00 -0.21 -0.13 -0.55 1.20 0.00 0.00 173.24 173.56 2jll s SER 363 N 0.08 2.01 -0.02 5.45 0.15 -0.19 0.00 113.70 121.18 2jll s SER 363 Ca -0.01 -0.91 -0.01 0.00 0.70 0.00 0.00 55.95 55.71 2jll s SER 363 Cb -0.03 -0.06 0.02 0.00 -1.71 0.00 0.00 66.02 64.24 2jll s SER 363 CO 0.01 -0.21 0.05 -0.94 1.20 0.00 0.00 173.24 173.35 2jll s SER 364 N -2.84 -0.01 -0.15 5.45 1.04 -0.48 -1.15 113.70 115.56 2jll s SER 364 Ca 0.14 0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.67 2jll s SER 364 Cb -0.02 0.04 -0.00 0.00 0.10 0.00 0.00 66.02 66.14 2jll s SER 364 CO 0.03 -0.08 -0.15 -0.22 0.98 0.00 0.00 173.24 173.80 2jll s LEU 365 N 0.60 2.50 -0.11 2.42 0.20 0.22 -1.50 118.68 123.01 2jll s LEU 365 Ca -0.05 -0.46 0.03 0.00 0.69 0.00 0.00 54.13 54.34 2jll s LEU 365 Cb -0.07 -1.57 0.01 0.00 -0.43 0.00 0.00 46.19 44.13 2jll s LEU 365 CO -0.02 0.09 -0.21 -2.28 -0.29 0.00 0.00 176.35 173.64 2jll s HIS 366 N 0.80 2.42 -0.07 5.38 5.65 -0.45 0.12 115.29 129.16 2jll s HIS 366 Ca -0.05 -1.10 0.04 0.00 0.25 0.00 0.00 55.06 54.19 2jll s HIS 366 Cb -0.15 -1.65 -0.02 0.00 -1.18 0.00 0.00 32.58 29.57 2jll s HIS 366 CO 0.00 -0.49 -0.17 0.42 -0.65 0.00 0.00 174.74 173.85 2jll s ILE 367 N 0.64 2.78 0.14 0.89 1.09 -0.37 -1.53 121.20 124.84 2jll s ILE 367 Ca -0.12 -0.81 0.07 0.00 -1.10 0.00 0.00 60.65 58.68 2jll s ILE 367 Cb -0.16 -2.08 -0.04 0.00 -1.06 0.00 0.00 42.46 39.11 2jll s ILE 367 CO 0.03 0.57 -0.02 -1.59 -0.10 0.00 0.00 174.94 173.83 2jll s LYS 368 N -0.38 2.37 -1.12 2.79 -2.85 -0.04 -1.21 119.74 119.30 2jll s LYS 368 Ca 0.04 -1.03 -0.01 0.00 -1.00 0.00 0.00 55.97 53.97 2jll s LYS 368 Cb -0.12 -2.38 0.00 0.00 -2.06 0.00 0.00 37.83 33.26 2jll s LYS 368 CO 0.02 0.48 0.94 -0.25 0.10 0.00 0.00 175.35 176.64 2jll n ASP 369 N 0.21 -2.35 -4.64 0.03 8.00 -0.24 -4.78 116.55 112.79 2jll n ASP 369 Ca -0.11 -0.57 -0.51 0.00 0.71 0.00 0.00 54.79 54.32 2jll n ASP 369 Cb 0.54 -4.77 -0.05 0.00 -0.02 0.00 0.00 41.12 36.81 2jll n ASP 369 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2jll n VAL 370 N -3.96 0.11 -4.01 2.53 0.31 -0.32 -4.63 118.33 108.36 2jll n VAL 370 Ca -0.25 -0.02 -0.24 0.00 -0.01 0.00 0.00 64.34 63.83 2jll n VAL 370 Cb 0.65 -1.21 -0.03 0.00 -0.91 0.00 0.00 33.84 32.34 2jll n VAL 370 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2jll s LYS 371 N 1.45 3.24 0.61 5.55 1.02 -1.26 0.36 119.74 130.71 2jll s LYS 371 Ca 0.86 -0.78 0.36 0.00 0.02 0.00 0.00 55.97 56.42 2jll s LYS 371 Cb -0.86 -2.81 2.00 0.00 -0.52 0.00 0.00 37.83 35.64 2jll s LYS 371 CO 0.47 0.47 2.27 -0.07 -0.92 0.00 0.00 175.35 177.57 2jll h LEU 372 N 1.79 0.00 0.00 3.17 3.38 -1.98 0.07 115.31 121.74 2jll h LEU 372 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2jll h LEU 372 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2jll h LEU 372 CO 0.64 0.02 0.00 -1.54 0.09 0.00 0.00 178.44 177.64 2jll n SER 373 N -3.49 0.00 0.05 -0.43 3.41 -1.26 -2.76 113.62 109.15 2jll n SER 373 Ca -0.03 -1.14 0.12 0.00 -0.26 0.00 0.00 58.87 57.56 2jll n SER 373 Cb 0.11 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.29 2jll n SER 373 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2jll n ASP 374 N -0.86 0.64 -4.77 4.04 8.00 0.01 -4.92 116.55 118.69 2jll n ASP 374 Ca 0.15 0.12 -0.30 0.00 0.71 0.00 0.00 54.79 55.46 2jll n ASP 374 Cb 0.07 0.06 0.09 0.00 -0.02 0.00 0.00 41.12 41.32 2jll n ASP 374 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2jll s SER 375 N -3.97 4.43 0.00 -2.24 1.04 -1.11 -4.82 113.70 107.02 2jll s SER 375 Ca 0.08 1.61 0.00 0.00 0.48 0.00 0.00 55.95 58.11 2jll s SER 375 Cb 0.14 -2.34 0.00 0.00 0.10 0.00 0.00 66.02 63.92 2jll s SER 375 CO 0.70 -2.05 0.00 0.61 0.98 0.00 0.00 173.24 173.48 2jll n GLY 376 N -1.51 -0.37 3.77 7.32 0.00 -0.90 -4.93 105.19 108.57 2jll n GLY 376 Ca 0.08 -2.24 -0.38 0.00 0.00 0.00 0.00 46.02 43.48 2jll n GLY 376 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jll s ARG 377 N -0.06 4.68 -0.02 1.61 3.52 -1.26 -1.11 118.95 126.32 2jll s ARG 377 Ca 0.00 1.40 0.05 0.00 -0.13 0.00 0.00 55.73 57.05 2jll s ARG 377 Cb 0.00 -2.98 -0.01 0.00 -1.56 0.00 0.00 34.95 30.40 2jll s ARG 377 CO 0.00 0.36 -0.16 0.71 -0.81 0.00 0.00 175.30 175.40 2jll s TYR 378 N -1.45 1.42 -0.15 5.12 2.02 0.91 -2.09 117.35 123.13 2jll s TYR 378 Ca 0.47 -0.29 -0.04 0.00 -0.37 0.00 0.00 57.07 56.84 2jll s TYR 378 Cb -0.22 -0.92 -0.03 0.00 -0.40 0.00 0.00 41.96 40.39 2jll s TYR 378 CO 0.27 -0.05 -0.03 -0.51 -1.57 0.00 0.00 175.55 173.67 2jll s ASP 379 N -0.29 4.88 -0.22 2.29 1.01 0.03 -0.84 116.67 123.52 2jll s ASP 379 Ca 0.04 -0.10 -0.06 0.00 0.71 0.00 0.00 52.55 53.14 2jll s ASP 379 Cb -0.07 -1.76 -0.03 0.00 1.01 0.00 0.00 42.92 42.07 2jll s ASP 379 CO -0.00 0.19 0.04 0.00 0.21 0.00 0.00 175.17 175.60 2jll s GLU 381 N 1.22 3.27 -0.44 0.00 2.12 -0.30 -1.36 118.70 123.20 2jll s GLU 381 Ca 0.04 -0.68 -0.18 0.00 0.36 0.00 0.00 54.97 54.51 2jll s GLU 381 Cb -0.14 -2.88 0.03 0.00 0.26 0.00 0.00 34.13 31.39 2jll s GLU 381 CO 0.02 -0.20 0.49 0.00 -0.54 0.00 0.00 175.26 175.04 2jll s ALA 382 N 1.42 3.42 0.07 6.30 0.00 0.30 -1.00 121.76 132.27 2jll s ALA 382 Ca 0.06 -1.54 0.10 0.00 0.00 0.00 0.00 51.96 50.57 2jll s ALA 382 Cb -0.14 -3.14 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 2jll s ALA 382 CO -0.06 -1.69 -0.26 0.00 0.00 0.00 0.00 175.76 173.75 2jll s ALA 383 N 2.28 2.27 0.00 0.00 0.00 0.13 -0.93 121.76 125.50 2jll s ALA 383 Ca 0.14 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.77 2jll s ALA 383 Cb -0.17 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.51 2jll s ALA 383 CO 0.14 0.53 0.00 -1.13 0.00 0.00 0.00 175.76 175.29 2jll n SER 384 N 1.47 0.00 -0.28 0.00 3.41 0.08 -0.95 113.62 117.36 2jll n SER 384 Ca -0.17 -0.70 -0.06 0.00 -0.26 0.00 0.00 58.87 57.67 2jll n SER 384 Cb 0.52 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.53 2jll n SER 384 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2jll h ARG 385 N 0.00 1.17 0.00 4.33 0.11 -1.96 -3.27 114.38 114.75 2jll h ARG 385 Ca 0.00 -0.24 0.00 0.00 0.10 0.00 0.00 59.98 59.84 2jll h ARG 385 Cb 0.00 -0.18 0.00 0.00 1.11 0.00 0.00 29.97 30.90 2jll h ARG 385 CO 0.00 0.97 -1.06 0.44 0.10 0.00 0.00 179.97 180.42 2jll n ILE 386 N -4.27 0.35 0.00 0.08 -5.35 -1.26 -5.03 119.36 103.88 2jll n ILE 386 Ca 0.06 -0.39 0.00 0.00 -0.27 0.00 0.00 62.75 62.15 2jll n ILE 386 Cb 0.21 -0.07 0.00 0.00 -1.74 0.00 0.00 39.64 38.04 2jll n ILE 386 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2jll n GLY 387 N 1.28 0.86 3.14 3.28 0.00 -1.24 -5.01 105.19 107.50 2jll n GLY 387 Ca 0.01 -0.91 -0.15 0.00 0.00 0.00 0.00 46.02 44.97 2jll n GLY 387 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jll s GLY 388 N 0.00 0.74 0.02 -0.02 0.00 -1.26 -0.74 107.32 106.06 2jll s GLY 388 Ca 0.00 -1.02 0.02 0.00 0.00 0.00 0.00 44.72 43.73 2jll s GLY 388 CO 0.00 -1.08 -0.08 -1.58 0.00 0.00 0.00 173.10 170.37 2jll s HIS 389 N -1.89 0.69 -0.03 1.90 5.04 -0.11 -4.95 115.29 115.94 2jll s HIS 389 Ca -0.01 -0.33 -0.02 0.00 -1.54 0.00 0.00 55.06 53.16 2jll s HIS 389 Cb -0.06 -0.42 0.01 0.00 0.04 0.00 0.00 32.58 32.15 2jll s HIS 389 CO 0.00 -0.04 0.07 -1.14 -2.34 0.00 0.00 174.74 171.30 2jll s GLN 390 N -0.99 0.06 0.31 2.88 0.74 -1.26 -0.54 119.66 120.86 2jll s GLN 390 Ca -0.04 0.15 0.05 0.00 0.05 0.00 0.00 55.36 55.57 2jll s GLN 390 Cb -0.07 -0.04 -0.03 0.00 1.10 0.00 0.00 33.01 33.96 2jll s GLN 390 CO 0.00 -0.06 0.23 0.15 -0.55 0.00 0.00 175.29 175.07 2jll s LYS 391 N 0.38 1.64 0.05 1.67 1.02 -0.47 -5.01 119.74 119.03 2jll s LYS 391 Ca -0.03 -1.94 0.04 0.00 0.02 0.00 0.00 55.97 54.06 2jll s LYS 391 Cb -0.04 0.23 -0.03 0.00 -0.52 0.00 0.00 37.83 37.48 2jll s LYS 391 CO -0.01 -0.57 -0.11 -1.12 -0.92 0.00 0.00 175.35 172.61 2jll s SER 392 N -3.34 1.27 0.22 2.83 0.01 -1.26 -0.93 113.70 112.50 2jll s SER 392 Ca 0.39 -0.55 -0.00 0.00 1.31 0.00 0.00 55.95 57.10 2jll s SER 392 Cb 0.03 -0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.20 2jll s SER 392 CO 0.23 -0.12 0.12 0.00 0.41 0.00 0.00 173.24 173.88 2jll s MET 393 N -1.55 1.28 -0.09 12.44 0.23 -0.02 -4.97 119.30 126.62 2jll s MET 393 Ca -0.05 -1.68 0.04 0.00 -1.03 0.00 0.00 55.69 52.97 2jll s MET 393 Cb -0.09 0.08 0.00 0.00 -1.53 0.00 0.00 34.83 33.29 2jll s MET 393 CO 0.01 -0.36 -0.21 0.71 -2.03 0.00 0.00 175.02 173.14 2jll s TYR 394 N -4.01 2.29 -0.43 3.16 2.02 -1.26 -0.06 117.35 119.05 2jll s TYR 394 Ca 0.39 -0.89 -0.18 0.00 -0.37 0.00 0.00 57.07 56.02 2jll s TYR 394 Cb 0.07 -1.54 0.03 0.00 -0.40 0.00 0.00 41.96 40.12 2jll s TYR 394 CO 0.13 -0.36 0.46 -1.17 -1.57 0.00 0.00 175.55 173.04 2jll s LEU 395 N 0.34 4.88 -0.10 -1.29 2.96 -0.26 -2.04 118.68 123.17 2jll s LEU 395 Ca -0.16 -0.69 -0.16 0.00 -0.22 0.00 0.00 54.13 52.89 2jll s LEU 395 Cb -0.17 -2.41 -0.05 0.00 0.50 0.00 0.00 46.19 44.07 2jll s LEU 395 CO 0.07 -0.62 0.42 -0.62 -1.32 0.00 0.00 176.35 174.28 2jll s ASP 396 N 1.92 6.65 -0.22 3.68 2.15 0.26 -2.13 116.67 128.98 2jll s ASP 396 Ca 0.13 0.77 -0.02 0.00 0.43 0.00 0.00 52.55 53.86 2jll s ASP 396 Cb -0.17 -2.25 0.01 0.00 -0.30 0.00 0.00 42.92 40.20 2jll s ASP 396 CO 0.14 0.09 -0.08 -0.63 -0.17 0.00 0.00 175.17 174.51 2jll s ILE 397 N 0.26 2.92 0.18 4.11 1.01 -1.26 -1.16 121.20 127.26 2jll s ILE 397 Ca 0.23 -0.78 -0.00 0.00 0.00 0.00 0.00 60.65 60.11 2jll s ILE 397 Cb -0.15 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 2jll s ILE 397 CO 0.09 0.37 0.35 -1.61 0.00 0.00 0.00 174.94 174.14 2jll s GLU 398 N 1.39 3.50 0.09 2.79 2.02 0.11 -4.87 118.70 123.73 2jll s GLU 398 Ca 0.04 -0.40 -0.23 0.00 0.02 0.00 0.00 54.97 54.40 2jll s GLU 398 Cb -0.15 -2.88 0.06 0.00 0.10 0.00 0.00 34.13 31.26 2jll s GLU 398 CO -0.06 0.45 0.56 1.52 0.02 0.00 0.00 175.26 177.75 2jll s TYR 399 N -1.81 -0.47 0.50 1.61 -0.85 -0.45 -0.79 117.35 115.09 2jll s TYR 399 Ca 0.37 0.42 -0.22 0.00 -0.52 0.00 0.00 57.07 57.12 2jll s TYR 399 Cb -0.11 0.43 -0.06 0.00 0.38 0.00 0.00 41.96 42.60 2jll s TYR 399 CO 0.29 -0.73 1.22 0.00 -1.52 0.00 0.00 175.55 174.81 2jll s ALA 400 N -3.00 2.89 0.32 9.51 0.00 -1.26 -3.66 121.76 126.56 2jll s ALA 400 Ca -0.02 1.05 -0.27 0.00 0.00 0.00 0.00 51.96 52.72 2jll s ALA 400 Cb -0.00 -3.44 -0.13 0.00 0.00 0.00 0.00 23.12 19.54 2jll s ALA 400 CO -0.06 -0.90 1.03 -2.30 0.00 0.00 0.00 175.76 173.53 2jll n PRO 401 N -0.74 1.43 -4.88 0.00 -0.02 -1.26 -4.90 135.00 124.63 2jll n PRO 401 Ca 0.09 0.50 -0.31 0.00 -2.02 0.00 0.00 63.50 61.76 2jll n PRO 401 Cb 0.47 -1.93 -0.14 0.00 -0.02 0.00 0.00 33.50 31.89 2jll n PRO 401 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2jll s LYS 402 N -1.67 2.12 -0.24 -0.52 1.02 0.19 -4.79 119.74 115.85 2jll s LYS 402 Ca 0.59 -0.93 -0.10 0.00 0.02 0.00 0.00 55.97 55.54 2jll s LYS 402 Cb -0.66 -2.16 -0.05 0.00 -0.52 0.00 0.00 37.83 34.44 2jll s LYS 402 CO 0.60 0.56 0.16 -0.06 -0.92 0.00 0.00 175.35 175.68 2jll s PHE 403 N -0.80 3.31 -0.36 3.18 0.08 -1.26 -1.26 117.98 120.86 2jll s PHE 403 Ca 0.13 0.21 0.11 0.00 0.12 0.00 0.00 56.93 57.49 2jll s PHE 403 Cb -0.10 -2.27 0.29 0.00 -0.57 0.00 0.00 43.02 40.37 2jll s PHE 403 CO 0.02 0.05 1.22 0.44 -0.10 0.00 0.00 175.22 176.85 2jll n ILE 404 N 4.32 1.50 -1.70 0.64 -5.35 -0.47 -4.99 119.36 113.31 2jll n ILE 404 Ca -0.15 -1.47 -0.43 0.00 -0.27 0.00 0.00 62.75 60.43 2jll n ILE 404 Cb 0.52 0.16 -0.03 0.00 -1.74 0.00 0.00 39.64 38.55 2jll n ILE 404 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2jll n SER 405 N -0.36 3.71 -0.04 7.28 7.64 -1.25 -4.91 113.62 125.69 2jll n SER 405 Ca 0.12 1.07 0.14 0.00 1.01 0.00 0.00 58.87 61.21 2jll n SER 405 Cb 0.55 -1.53 0.56 0.00 -1.01 0.00 0.00 64.21 62.78 2jll n SER 405 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2jll n ASN 406 N 3.83 0.26 -3.74 6.43 2.04 -1.26 -4.80 115.26 118.02 2jll n ASN 406 Ca 0.16 -0.10 -0.20 0.00 -0.44 0.00 0.00 54.58 54.00 2jll n ASN 406 Cb 0.33 -0.18 -0.17 0.00 -2.53 0.00 0.00 39.78 37.23 2jll n ASN 406 CO 0.00 0.00 0.00 -1.58 -0.44 0.00 0.00 177.26 175.24 2jll s GLN 407 N -2.76 0.27 0.00 -3.83 0.74 -1.26 -5.00 119.66 107.82 2jll s GLN 407 Ca 0.20 0.20 0.00 0.00 0.05 0.00 0.00 55.36 55.82 2jll s GLN 407 Cb 0.19 -0.68 0.00 0.00 1.10 0.00 0.00 33.01 33.63 2jll s GLN 407 CO 0.54 -0.27 0.17 0.25 -0.55 0.00 0.00 175.29 175.42 2jll n THR 408 N 4.95 0.00 -4.12 -0.34 -2.24 -1.26 -4.88 114.28 106.39 2jll n THR 408 Ca -0.10 -0.47 -0.34 0.00 -2.27 0.00 0.00 64.05 60.86 2jll n THR 408 Cb 0.50 1.02 -0.14 0.00 -2.10 0.00 0.00 70.33 69.61 2jll n THR 408 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2jll s ILE 409 N -0.60 3.24 0.12 2.28 1.01 -1.26 -0.23 121.20 125.75 2jll s ILE 409 Ca 0.00 -0.55 0.10 0.00 0.00 0.00 0.00 60.65 60.20 2jll s ILE 409 Cb 0.00 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 2jll s ILE 409 CO 0.00 0.46 -0.24 -0.31 0.00 0.00 0.00 174.94 174.85 2jll s TYR 410 N 1.18 2.06 -0.06 3.97 2.02 0.11 -4.98 117.35 121.65 2jll s TYR 410 Ca 0.02 -0.40 0.05 0.00 -0.37 0.00 0.00 57.07 56.37 2jll s TYR 410 Cb -0.14 -1.11 -0.00 0.00 -0.40 0.00 0.00 41.96 40.30 2jll s TYR 410 CO -0.02 0.28 -0.20 0.71 -1.57 0.00 0.00 175.55 174.75 2jll s TYR 411 N -1.15 2.02 0.00 2.71 2.02 -1.26 0.50 117.35 122.19 2jll s TYR 411 Ca 0.11 -0.64 0.00 0.00 -0.37 0.00 0.00 57.07 56.17 2jll s TYR 411 Cb -0.10 -1.36 0.00 0.00 -0.40 0.00 0.00 41.96 40.11 2jll s TYR 411 CO 0.05 -0.22 0.00 0.45 -1.57 0.00 0.00 175.55 174.26 2jll n SER 412 N 3.19 0.00 -3.59 2.29 2.88 -0.55 -4.86 113.62 112.98 2jll n SER 412 Ca -0.18 -0.66 -0.11 0.00 -1.33 0.00 0.00 58.87 56.59 2jll n SER 412 Cb 0.53 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.95 2jll n SER 412 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2jll s TRP 413 N -5.37 -0.29 -0.02 0.66 -2.14 -1.26 -0.36 118.94 110.16 2jll s TRP 413 Ca 0.00 0.00 -0.39 0.00 2.66 0.00 0.00 56.10 58.37 2jll s TRP 413 Cb 0.00 0.39 -0.19 0.00 -3.10 0.00 0.00 33.47 30.57 2jll s TRP 413 CO 0.00 -0.80 1.23 0.39 -2.66 0.00 0.00 176.95 175.11 2jll n GLU 414 N -0.30 0.45 -0.83 3.25 4.71 -1.26 -0.86 120.64 125.80 2jll n GLU 414 Ca -0.15 0.16 0.00 0.00 -0.01 0.00 0.00 57.16 57.16 2jll n GLU 414 Cb 0.64 -1.72 0.00 0.00 -1.01 0.00 0.00 31.44 29.35 2jll n GLU 414 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2jll n GLY 415 N 2.14 0.86 3.17 0.62 0.00 0.11 -4.98 105.19 107.11 2jll n GLY 415 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 2jll n GLY 415 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2jll s ASN 416 N -2.84 5.22 0.28 1.61 3.04 -0.04 -4.94 114.94 117.27 2jll s ASN 416 Ca 0.00 -1.68 -0.30 0.00 0.04 0.00 0.00 52.86 50.92 2jll s ASN 416 Cb 0.00 -1.82 -0.10 0.00 -1.54 0.00 0.00 41.25 37.78 2jll s ASN 416 CO 0.00 -0.45 1.44 -2.84 -3.04 0.00 0.00 177.10 172.21 2jll s PRO 417 N 1.23 4.25 -0.01 0.43 0.02 -1.26 -4.28 135.00 135.38 2jll s PRO 417 Ca 0.03 2.35 -0.00 0.00 0.02 0.00 0.00 61.00 63.39 2jll s PRO 417 Cb -0.22 -3.08 0.01 0.00 0.02 0.00 0.00 34.50 31.23 2jll s PRO 417 CO -0.02 -0.42 0.02 -1.50 -0.33 0.00 0.00 177.00 174.75 2jll s ILE 418 N -0.30 -0.01 -0.24 2.83 2.07 -0.15 -4.99 121.20 120.42 2jll s ILE 418 Ca 0.57 0.03 -0.12 0.00 -1.41 0.00 0.00 60.65 59.72 2jll s ILE 418 Cb -0.43 -0.04 -0.05 0.00 0.13 0.00 0.00 42.46 42.08 2jll s ILE 418 CO 0.47 0.01 0.22 0.20 -1.91 0.00 0.00 174.94 173.93 2jll s ASN 419 N 0.14 6.17 -0.13 4.50 0.01 -1.26 -0.58 114.94 123.79 2jll s ASN 419 Ca -0.01 0.18 -0.04 0.00 -0.71 0.00 0.00 52.86 52.28 2jll s ASN 419 Cb -0.02 -2.14 -0.04 0.00 0.41 0.00 0.00 41.25 39.47 2jll s ASN 419 CO -0.00 0.01 0.03 0.27 -1.51 0.00 0.00 177.10 175.90 2jll s ILE 420 N 1.23 4.55 -0.11 0.60 -4.36 0.03 -4.95 121.20 118.18 2jll s ILE 420 Ca 0.10 -0.14 -0.01 0.00 -0.26 0.00 0.00 60.65 60.34 2jll s ILE 420 Cb -0.14 -2.98 -0.03 0.00 1.25 0.00 0.00 42.46 40.57 2jll s ILE 420 CO 0.06 0.55 -0.06 -0.94 0.24 0.00 0.00 174.94 174.79 2jll s SER 421 N -0.34 4.68 -0.18 4.36 1.04 -1.26 -1.13 113.70 120.86 2jll s SER 421 Ca 0.08 -0.09 -0.02 0.00 0.48 0.00 0.00 55.95 56.40 2jll s SER 421 Cb -0.12 -1.50 -0.00 0.00 0.10 0.00 0.00 66.02 64.49 2jll s SER 421 CO 0.02 0.26 -0.10 0.00 0.98 0.00 0.00 173.24 174.40 2jll s ASP 423 N 1.09 3.25 -0.05 0.00 -1.08 -1.26 -0.89 116.67 117.73 2jll s ASP 423 Ca 0.00 -0.52 0.00 0.00 -0.52 0.00 0.00 52.55 51.51 2jll s ASP 423 Cb -0.15 -1.45 0.02 0.00 -1.46 0.00 0.00 42.92 39.89 2jll s ASP 423 CO -0.02 0.15 -0.03 -0.69 0.52 0.00 0.00 175.17 175.11 2jll s VAL 424 N 0.38 0.43 -0.18 1.11 1.01 -1.26 -1.37 120.40 120.52 2jll s VAL 424 Ca -0.17 -0.03 -0.09 0.00 0.00 0.00 0.00 61.98 61.70 2jll s VAL 424 Cb -0.17 -0.50 -0.05 0.00 0.00 0.00 0.00 36.38 35.66 2jll s VAL 424 CO 0.08 0.22 0.13 -1.59 0.00 0.00 0.00 175.10 173.93 2jll s LYS 425 N 1.18 4.00 0.01 2.72 -2.85 -0.39 -4.96 119.74 119.45 2jll s LYS 425 Ca -0.07 -0.21 -0.27 0.00 -1.00 0.00 0.00 55.97 54.42 2jll s LYS 425 Cb -0.14 -3.35 0.07 0.00 -2.06 0.00 0.00 37.83 32.35 2jll s LYS 425 CO -0.02 0.41 0.62 -1.54 0.10 0.00 0.00 175.35 174.93 2jll s SER 426 N 0.04 -0.59 -0.15 0.03 1.04 -1.26 -0.64 113.70 112.17 2jll s SER 426 Ca 0.09 0.46 -0.04 0.00 0.48 0.00 0.00 55.95 56.95 2jll s SER 426 Cb -0.11 0.54 0.07 0.00 0.10 0.00 0.00 66.02 66.61 2jll s SER 426 CO -0.01 -0.70 0.20 0.21 0.98 0.00 0.00 173.24 173.93 2jll s ASN 427 N -1.64 1.02 1.04 7.02 2.47 -1.24 -3.73 114.94 119.88 2jll s ASN 427 Ca -0.08 0.10 -0.13 0.00 0.42 0.00 0.00 52.86 53.18 2jll s ASN 427 Cb -0.01 0.38 0.21 0.00 -1.45 0.00 0.00 41.25 40.38 2jll s ASN 427 CO 0.03 -0.28 1.08 -2.84 -3.72 0.00 0.00 177.10 171.37 2jll s PRO 428 N 2.32 0.12 0.37 0.43 0.02 -1.26 -1.34 135.00 135.67 2jll s PRO 428 Ca 0.04 0.53 -0.26 0.00 0.02 0.00 0.00 61.00 61.34 2jll s PRO 428 Cb -0.14 -1.70 -0.12 0.00 0.02 0.00 0.00 34.50 32.56 2jll s PRO 428 CO -0.09 -2.95 1.00 -2.30 -0.33 0.00 0.00 177.00 172.33 2jll n PRO 429 N -4.33 1.35 -3.33 5.54 -0.02 -1.24 -4.86 135.00 128.11 2jll n PRO 429 Ca 0.05 0.48 -0.24 0.00 -2.02 0.00 0.00 63.50 61.76 2jll n PRO 429 Cb 0.57 -1.96 -0.01 0.00 -0.02 0.00 0.00 33.50 32.08 2jll n PRO 429 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jll s ALA 430 N -1.21 3.68 -0.14 3.55 0.00 -1.26 -4.78 121.76 121.59 2jll s ALA 430 Ca 0.61 -0.87 -0.10 0.00 0.00 0.00 0.00 51.96 51.60 2jll s ALA 430 Cb -0.61 -2.15 -0.05 0.00 0.00 0.00 0.00 23.12 20.32 2jll s ALA 430 CO 0.58 -0.03 0.19 -1.54 0.00 0.00 0.00 175.76 174.96 2jll s SER 431 N -4.00 6.39 -0.05 0.00 1.04 -0.53 -4.90 113.70 111.65 2jll s SER 431 Ca 0.41 0.46 0.04 0.00 0.48 0.00 0.00 55.95 57.34 2jll s SER 431 Cb -0.10 -2.11 -0.00 0.00 0.10 0.00 0.00 66.02 63.91 2jll s SER 431 CO 0.36 0.28 -0.17 -0.63 0.98 0.00 0.00 173.24 174.07 2jll s ILE 432 N -0.39 1.42 -0.00 -1.02 1.01 -1.26 -1.53 121.20 119.43 2jll s ILE 432 Ca 0.14 -0.70 -0.02 0.00 0.00 0.00 0.00 60.65 60.07 2jll s ILE 432 Cb -0.12 -1.23 -0.00 0.00 0.01 0.00 0.00 42.46 41.12 2jll s ILE 432 CO 0.03 0.41 0.05 -1.00 0.00 0.00 0.00 174.94 174.43 2jll s HIS 433 N 0.12 0.07 0.07 3.97 3.76 -0.36 -5.00 115.29 117.92 2jll s HIS 433 Ca -0.06 -0.14 -0.18 0.00 -0.15 0.00 0.00 55.06 54.53 2jll s HIS 433 Cb -0.12 -0.07 -0.07 0.00 1.11 0.00 0.00 32.58 33.44 2jll s HIS 433 CO 0.03 -0.14 0.55 -1.58 -0.85 0.00 0.00 174.74 172.74 2jll s TRP 434 N -0.79 3.79 0.14 1.40 0.52 -1.26 -0.57 118.94 122.17 2jll s TRP 434 Ca -0.09 1.23 -0.18 0.00 0.02 0.00 0.00 56.10 57.08 2jll s TRP 434 Cb -0.05 -2.46 0.04 0.00 -1.15 0.00 0.00 33.47 29.84 2jll s TRP 434 CO 0.00 0.59 0.45 -0.98 0.02 0.00 0.00 176.95 177.03 2jll s ARG 435 N -1.15 1.15 -0.19 4.98 1.70 -0.03 -0.65 118.95 124.75 2jll s ARG 435 Ca 0.29 -0.68 0.01 0.00 -0.47 0.00 0.00 55.73 54.88 2jll s ARG 435 Cb -0.19 0.50 0.04 0.00 -0.57 0.00 0.00 34.95 34.73 2jll s ARG 435 CO 0.18 -0.47 -0.11 1.03 -1.08 0.00 0.00 175.30 174.86 2jll s ARG 436 N -3.80 2.05 -1.04 3.89 0.52 -0.22 -1.43 118.95 118.92 2jll s ARG 436 Ca 0.03 -0.80 -0.17 0.00 -0.52 0.00 0.00 55.73 54.27 2jll s ARG 436 Cb 0.01 -2.37 0.01 0.00 0.52 0.00 0.00 34.95 33.11 2jll s ARG 436 CO -0.11 -0.40 0.71 -0.25 0.02 0.00 0.00 175.30 175.27 2jll n ASP 437 N 4.70 -5.20 0.00 0.23 8.00 -1.26 -1.45 116.55 121.57 2jll n ASP 437 Ca -0.15 -0.98 0.00 0.00 0.71 0.00 0.00 54.79 54.37 2jll n ASP 437 Cb 0.47 -2.76 0.00 0.00 -0.02 0.00 0.00 41.12 38.81 2jll n ASP 437 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2jll n LYS 438 N -3.78 -0.91 -3.65 -1.24 5.02 -1.26 -4.96 118.16 107.38 2jll n LYS 438 Ca -0.14 0.23 -0.39 0.00 -2.02 0.00 0.00 58.31 55.99 2jll n LYS 438 Cb 0.60 -4.15 -0.12 0.00 -0.02 0.00 0.00 35.03 31.34 2jll n LYS 438 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2jll s LEU 439 N 0.00 4.11 0.27 -0.35 2.96 -0.53 -5.08 118.68 120.06 2jll s LEU 439 Ca 0.00 -0.47 -0.29 0.00 -0.22 0.00 0.00 54.13 53.14 2jll s LEU 439 Cb 0.00 -2.01 -0.09 0.00 0.50 0.00 0.00 46.19 44.58 2jll s LEU 439 CO 0.00 -0.18 1.19 0.54 -1.32 0.00 0.00 176.35 176.57 2jll s VAL 440 N 1.63 3.26 -0.03 1.68 0.11 -1.26 -1.06 120.40 124.73 2jll s VAL 440 Ca 0.05 1.22 0.06 0.00 -2.93 0.00 0.00 61.98 60.38 2jll s VAL 440 Cb -0.17 -3.78 -0.02 0.00 -1.53 0.00 0.00 36.38 30.88 2jll s VAL 440 CO 0.07 0.27 -0.21 -0.76 -3.33 0.00 0.00 175.10 171.13 2jll s LEU 441 N -1.26 2.33 0.44 2.54 1.43 0.17 -3.04 118.68 121.29 2jll s LEU 441 Ca 0.48 -0.36 -0.22 0.00 -1.03 0.00 0.00 54.13 52.99 2jll s LEU 441 Cb -0.35 -1.43 -0.09 0.00 0.03 0.00 0.00 46.19 44.36 2jll s LEU 441 CO 0.43 0.33 1.05 -2.84 0.23 0.00 0.00 176.35 175.55 2jll s PRO 442 N -0.67 4.00 0.49 1.29 0.02 -1.26 -4.58 135.00 134.29 2jll s PRO 442 Ca 0.11 1.46 0.02 0.00 0.02 0.00 0.00 61.00 62.60 2jll s PRO 442 Cb -0.10 -2.35 0.01 0.00 0.02 0.00 0.00 34.50 32.08 2jll s PRO 442 CO -0.00 -0.27 0.70 0.00 -0.33 0.00 0.00 177.00 177.09 2jll s ALA 443 N -1.79 3.90 0.54 -1.55 0.00 -1.17 -4.99 121.76 116.70 2jll s ALA 443 Ca 0.62 -1.24 0.23 0.00 0.00 0.00 0.00 51.96 51.57 2jll s ALA 443 Cb -0.20 -2.05 1.44 0.00 0.00 0.00 0.00 23.12 22.31 2jll s ALA 443 CO 0.24 -0.52 2.09 0.87 0.00 0.00 0.00 175.76 178.45 2jll h LYS 444 N 0.30 0.00 -0.76 0.00 1.57 -2.01 -1.24 116.57 114.42 2jll h LYS 444 Ca -0.44 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.26 2jll h LYS 444 Cb 1.27 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.54 2jll h LYS 444 CO 0.54 0.00 0.10 0.27 -0.57 0.00 0.00 179.45 179.79 2jll n ASN 445 N -4.27 4.26 -3.36 0.86 6.94 -1.26 -4.49 115.26 113.95 2jll n ASN 445 Ca 0.03 -2.79 -0.26 0.00 -0.02 0.00 0.00 54.58 51.54 2jll n ASN 445 Cb 0.32 -0.66 -0.08 0.00 -2.36 0.00 0.00 39.78 37.00 2jll n ASN 445 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2jll n THR 446 N 0.21 0.50 0.30 5.53 -2.24 -0.47 -4.96 114.28 113.15 2jll n THR 446 Ca 0.25 -4.43 0.17 0.00 -2.27 0.00 0.00 64.05 57.77 2jll n THR 446 Cb 1.03 -1.99 0.78 0.00 -2.10 0.00 0.00 70.33 68.05 2jll n THR 446 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2jll h THR 447 N 2.93 0.00 -0.13 4.28 1.35 -1.79 -2.37 112.91 117.18 2jll h THR 447 Ca 0.15 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 2jll h THR 447 Cb 0.80 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 2jll h THR 447 CO 0.60 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 175.41 2jll n ASN 448 N -2.87 1.08 -4.46 5.36 6.94 -1.26 -4.87 115.26 115.18 2jll n ASN 448 Ca -0.00 -1.69 -0.31 0.00 -0.02 0.00 0.00 54.58 52.56 2jll n ASN 448 Cb 0.21 -0.08 -0.13 0.00 -2.36 0.00 0.00 39.78 37.42 2jll n ASN 448 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2jll s LEU 449 N -1.45 2.63 -0.02 -4.53 1.43 -0.89 -2.33 118.68 113.53 2jll s LEU 449 Ca 0.27 -0.41 -0.10 0.00 -1.03 0.00 0.00 54.13 52.87 2jll s LEU 449 Cb 0.14 -1.53 0.01 0.00 0.03 0.00 0.00 46.19 44.84 2jll s LEU 449 CO 0.21 0.26 0.20 -0.54 0.23 0.00 0.00 176.35 176.72 2jll s LYS 450 N -1.42 0.50 0.01 1.70 1.02 -1.03 -4.62 119.74 115.91 2jll s LYS 450 Ca 0.15 -0.22 0.08 0.00 0.02 0.00 0.00 55.97 56.00 2jll s LYS 450 Cb -0.11 0.22 -0.02 0.00 -0.52 0.00 0.00 37.83 37.40 2jll s LYS 450 CO 0.05 -0.12 -0.24 0.95 -0.92 0.00 0.00 175.35 175.07 2jll s THR 451 N -1.11 1.94 0.08 2.17 -4.23 -1.26 -0.58 115.64 112.65 2jll s THR 451 Ca -0.12 -1.18 0.08 0.00 -1.18 0.00 0.00 61.69 59.29 2jll s THR 451 Cb -0.06 -1.64 -0.03 0.00 1.34 0.00 0.00 72.50 72.11 2jll s THR 451 CO 0.02 0.42 -0.21 -0.31 -0.54 0.00 0.00 174.62 174.00 2jll s TYR 452 N -0.68 1.85 -0.09 3.99 2.02 -0.11 -4.98 117.35 119.34 2jll s TYR 452 Ca 0.10 -0.40 0.02 0.00 -0.37 0.00 0.00 57.07 56.42 2jll s TYR 452 Cb -0.09 -1.04 -0.02 0.00 -0.40 0.00 0.00 41.96 40.41 2jll s TYR 452 CO 0.01 0.18 -0.16 0.45 -1.57 0.00 0.00 175.55 174.46 2jll s SER 453 N -1.68 3.85 0.00 2.29 0.15 -1.26 -0.57 113.70 116.48 2jll s SER 453 Ca 0.07 -0.32 0.09 0.00 0.70 0.00 0.00 55.95 56.49 2jll s SER 453 Cb -0.10 -1.27 0.01 0.00 -1.71 0.00 0.00 66.02 62.95 2jll s SER 453 CO 0.04 0.23 0.61 1.07 1.20 0.00 0.00 173.24 176.39 2jll n THR 454 N 3.08 0.00 0.00 6.45 5.66 -0.82 -5.02 114.28 123.62 2jll n THR 454 Ca -0.18 -0.42 0.00 0.00 -3.05 0.00 0.00 64.05 60.40 2jll n THR 454 Cb 0.52 1.11 0.00 0.00 -1.55 0.00 0.00 70.33 70.42 2jll n THR 454 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2jll n GLY 455 N 0.81 2.42 0.49 1.09 0.00 -1.26 -4.73 105.19 104.01 2jll n GLY 455 Ca 0.04 -0.77 0.11 0.00 0.00 0.00 0.00 46.02 45.40 2jll n GLY 455 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2jll n ARG 456 N 0.00 1.24 -4.06 1.61 1.85 -1.26 -4.96 116.66 111.08 2jll n ARG 456 Ca 0.00 -0.99 -0.12 0.00 -1.00 0.00 0.00 57.85 55.75 2jll n ARG 456 Cb 0.00 -1.48 -0.11 0.00 -1.05 0.00 0.00 32.46 29.82 2jll n ARG 456 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2jll s LYS 457 N -2.44 0.52 -0.22 2.89 1.02 -1.26 -4.32 119.74 115.93 2jll s LYS 457 Ca 0.20 -0.82 -0.02 0.00 0.02 0.00 0.00 55.97 55.36 2jll s LYS 457 Cb 0.18 -0.17 0.01 0.00 -0.52 0.00 0.00 37.83 37.34 2jll s LYS 457 CO 0.54 0.01 -0.10 1.41 -0.92 0.00 0.00 175.35 176.30 2jll s MET 458 N -1.93 3.09 -0.15 1.68 -2.45 -0.07 -1.95 119.30 117.51 2jll s MET 458 Ca -0.08 -0.80 -0.03 0.00 -1.25 0.00 0.00 55.69 53.53 2jll s MET 458 Cb -0.07 -2.86 -0.02 0.00 1.25 0.00 0.00 34.83 33.12 2jll s MET 458 CO -0.01 -0.26 -0.06 0.42 1.05 0.00 0.00 175.02 176.16 2jll s ILE 459 N 1.37 3.73 -0.31 10.11 1.01 0.26 -0.63 121.20 136.74 2jll s ILE 459 Ca 0.04 -0.42 -0.09 0.00 0.00 0.00 0.00 60.65 60.18 2jll s ILE 459 Cb -0.15 -2.62 -0.00 0.00 0.01 0.00 0.00 42.46 39.70 2jll s ILE 459 CO -0.07 0.50 0.14 -0.22 0.00 0.00 0.00 174.94 175.29 2jll s LEU 460 N 0.37 4.07 -0.29 2.97 2.96 -0.28 -0.93 118.68 127.55 2jll s LEU 460 Ca -0.05 -0.57 -0.14 0.00 -0.22 0.00 0.00 54.13 53.15 2jll s LEU 460 Cb -0.15 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.53 2jll s LEU 460 CO 0.03 -0.20 0.32 -0.70 -1.32 0.00 0.00 176.35 174.49 2jll s GLU 461 N 1.59 3.90 -0.19 1.98 2.12 0.25 -0.79 118.70 127.57 2jll s GLU 461 Ca 0.04 -0.16 -0.02 0.00 0.36 0.00 0.00 54.97 55.19 2jll s GLU 461 Cb -0.17 -3.69 -0.01 0.00 0.26 0.00 0.00 34.13 30.52 2jll s GLU 461 CO 0.06 -0.31 -0.09 0.42 -0.54 0.00 0.00 175.26 174.80 2jll s ILE 462 N 1.98 3.11 -0.78 -3.70 1.01 0.25 -2.46 121.20 120.61 2jll s ILE 462 Ca 0.12 -0.60 -0.16 0.00 0.00 0.00 0.00 60.65 60.01 2jll s ILE 462 Cb -0.16 -2.37 0.17 0.00 0.01 0.00 0.00 42.46 40.11 2jll s ILE 462 CO 0.11 0.47 0.80 0.00 0.00 0.00 0.00 174.94 176.32 2jll s ALA 463 N 1.08 3.77 0.25 9.38 0.00 -0.98 -0.98 121.76 134.29 2jll s ALA 463 Ca 0.00 -2.94 -0.30 0.00 0.00 0.00 0.00 51.96 48.73 2jll s ALA 463 Cb -0.15 -3.60 -0.10 0.00 0.00 0.00 0.00 23.12 19.27 2jll s ALA 463 CO -0.02 -2.41 1.45 -2.14 0.00 0.00 0.00 175.76 172.64 2jll s PRO 464 N 1.27 4.26 -0.43 0.00 0.02 -1.26 -4.86 135.00 134.00 2jll s PRO 464 Ca 0.18 2.32 0.06 0.00 0.02 0.00 0.00 61.00 63.58 2jll s PRO 464 Cb -0.14 -3.10 0.32 0.00 0.02 0.00 0.00 34.50 31.60 2jll s PRO 464 CO -0.05 -0.43 1.19 0.25 -0.33 0.00 0.00 177.00 177.62 2jll n THR 465 N 2.32 0.00 0.00 0.99 -2.24 -1.26 0.07 114.28 114.16 2jll n THR 465 Ca 0.07 -1.32 0.00 0.00 -2.27 0.00 0.00 64.05 60.53 2jll n THR 465 Cb 0.40 1.39 0.00 0.00 -2.10 0.00 0.00 70.33 70.02 2jll n THR 465 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2jll n SER 466 N 0.34 0.00 0.00 3.42 2.88 -1.26 -4.90 113.62 114.10 2jll n SER 466 Ca 0.03 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.58 2jll n SER 466 Cb 0.72 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.23 2jll n SER 466 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2jll n ASP 467 N 0.00 0.00 -0.03 -3.46 10.43 -1.26 -2.02 116.55 120.20 2jll n ASP 467 Ca 0.00 -0.81 0.00 0.00 2.57 0.00 0.00 54.79 56.56 2jll n ASP 467 Cb 0.00 0.00 -0.14 0.00 1.84 0.00 0.00 41.12 42.82 2jll n ASP 467 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 2jll n ASN 468 N -0.56 0.23 0.00 -2.24 2.85 -1.26 -4.01 115.26 110.27 2jll n ASN 468 Ca 0.01 0.10 0.08 0.00 -0.11 0.00 0.00 54.58 54.67 2jll n ASN 468 Cb 0.01 1.13 0.38 0.00 1.24 0.00 0.00 39.78 42.53 2jll n ASN 468 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2jll n ASP 469 N -2.61 0.00 -4.89 1.20 8.00 -0.86 -4.70 116.55 112.69 2jll n ASP 469 Ca -0.16 0.44 -0.33 0.00 0.71 0.00 0.00 54.79 55.45 2jll n ASP 469 Cb 0.86 -0.47 -0.05 0.00 -0.02 0.00 0.00 41.12 41.44 2jll n ASP 469 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2jll s PHE 470 N -2.94 3.54 -3.65 1.24 0.08 -1.26 -4.91 117.98 110.08 2jll s PHE 470 Ca 0.09 0.50 0.00 0.00 0.12 0.00 0.00 56.93 57.64 2jll s PHE 470 Cb 0.11 -1.94 0.00 0.00 -0.57 0.00 0.00 43.02 40.62 2jll s PHE 470 CO 0.31 0.56 0.00 0.41 -0.10 0.00 0.00 175.22 176.40 2jll n GLY 471 N 0.69 0.81 3.82 4.36 0.00 0.28 -4.97 105.19 110.18 2jll n GLY 471 Ca -0.08 -1.93 -0.38 0.00 0.00 0.00 0.00 46.02 43.64 2jll n GLY 471 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jll s ARG 472 N -1.46 4.11 -0.02 1.61 1.81 -1.26 -0.37 118.95 123.37 2jll s ARG 472 Ca 0.00 0.64 0.02 0.00 -1.72 0.00 0.00 55.73 54.67 2jll s ARG 472 Cb 0.00 -3.14 0.00 0.00 -0.45 0.00 0.00 34.95 31.36 2jll s ARG 472 CO 0.00 0.59 -0.08 0.71 -0.68 0.00 0.00 175.30 175.84 2jll s TYR 473 N -1.22 0.86 -0.11 -0.53 2.02 0.00 -4.93 117.35 113.45 2jll s TYR 473 Ca 0.31 -0.20 -0.12 0.00 -0.37 0.00 0.00 57.07 56.69 2jll s TYR 473 Cb -0.18 -0.61 -0.05 0.00 -0.40 0.00 0.00 41.96 40.73 2jll s TYR 473 CO 0.18 -0.07 0.28 -0.80 -1.57 0.00 0.00 175.55 173.57 2jll s ASN 474 N 0.10 6.52 -0.23 2.29 0.01 -0.51 0.31 114.94 123.44 2jll s ASN 474 Ca -0.01 0.62 -0.09 0.00 -0.71 0.00 0.00 52.86 52.67 2jll s ASN 474 Cb -0.07 -2.17 -0.04 0.00 0.41 0.00 0.00 41.25 39.38 2jll s ASN 474 CO 0.00 0.24 0.11 0.00 -1.51 0.00 0.00 177.10 175.95 2jll s THR 476 N 1.09 2.03 -0.03 0.00 -4.23 0.26 -0.98 115.64 113.79 2jll s THR 476 Ca 0.06 -1.03 0.05 0.00 -1.18 0.00 0.00 61.69 59.59 2jll s THR 476 Cb -0.14 -1.74 -0.01 0.00 1.34 0.00 0.00 72.50 71.95 2jll s THR 476 CO 0.04 0.56 -0.19 0.00 -0.54 0.00 0.00 174.62 174.49 2jll s ALA 477 N 0.11 1.66 -0.01 3.99 0.00 0.49 -1.22 121.76 126.79 2jll s ALA 477 Ca -0.12 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.05 2jll s ALA 477 Cb -0.16 -0.49 -0.00 0.00 0.00 0.00 0.00 23.12 22.47 2jll s ALA 477 CO 0.06 0.35 -0.05 -0.08 0.00 0.00 0.00 175.76 176.05 2jll s THR 478 N -0.21 0.38 0.00 0.00 -1.32 -0.58 -0.42 115.64 113.50 2jll s THR 478 Ca 0.01 -0.19 0.00 0.00 -1.21 0.00 0.00 61.69 60.30 2jll s THR 478 Cb -0.10 -0.33 0.00 0.00 -1.51 0.00 0.00 72.50 70.56 2jll s THR 478 CO 0.01 0.11 0.00 -0.46 -2.21 0.00 0.00 174.62 172.07 2jll n ASN 479 N 3.03 0.74 0.20 8.08 2.04 -0.70 -1.45 115.26 127.20 2jll n ASN 479 Ca -0.14 -0.79 0.14 0.00 -0.44 0.00 0.00 54.58 53.36 2jll n ASN 479 Cb 0.58 0.00 0.56 0.00 -2.53 0.00 0.00 39.78 38.38 2jll n ASN 479 CO 0.00 0.00 0.00 1.12 -0.44 0.00 0.00 177.26 177.94 2jll h HIS 480 N 0.79 0.00 -0.01 -2.53 2.07 -1.91 -1.37 115.15 112.19 2jll h HIS 480 Ca 0.00 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 57.33 2jll h HIS 480 Cb 0.00 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.97 2jll h HIS 480 CO 0.00 0.00 -0.83 0.82 -3.07 0.00 0.00 177.93 174.85 2jll h ILE 481 N 0.00 1.47 0.00 6.12 1.08 -1.93 -3.50 117.51 120.76 2jll h ILE 481 Ca 0.00 -2.51 0.00 0.00 -0.39 0.00 0.00 64.86 61.96 2jll h ILE 481 Cb 0.48 2.39 0.00 0.00 -3.07 0.00 0.00 36.82 36.62 2jll h ILE 481 CO 0.00 0.73 0.00 0.61 -0.69 0.00 0.00 178.15 178.80 2jll n GLY 482 N 0.78 -2.06 3.56 5.37 0.00 -0.52 -4.86 105.19 107.47 2jll n GLY 482 Ca -0.04 -1.36 -0.34 0.00 0.00 0.00 0.00 46.02 44.28 2jll n GLY 482 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jll s THR 483 N -2.24 4.29 0.22 2.61 2.01 -1.26 -1.71 115.64 119.55 2jll s THR 483 Ca 0.00 -0.22 0.05 0.00 0.31 0.00 0.00 61.69 61.84 2jll s THR 483 Cb 0.00 -2.90 -0.05 0.00 0.01 0.00 0.00 72.50 69.56 2jll s THR 483 CO 0.00 0.48 -0.06 -0.13 -0.69 0.00 0.00 174.62 174.22 2jll s ARG 484 N 0.31 1.34 0.07 4.92 1.81 0.44 -4.98 118.95 122.86 2jll s ARG 484 Ca -0.01 -1.65 -0.12 0.00 -1.72 0.00 0.00 55.73 52.24 2jll s ARG 484 Cb -0.13 -0.84 0.01 0.00 -0.45 0.00 0.00 34.95 33.54 2jll s ARG 484 CO 0.02 0.02 0.26 -0.59 -0.68 0.00 0.00 175.30 174.33 2jll s PHE 485 N -3.22 -0.00 -0.06 -0.53 -0.71 -1.26 -0.38 117.98 111.82 2jll s PHE 485 Ca 0.25 -0.28 0.01 0.00 -1.04 0.00 0.00 56.93 55.88 2jll s PHE 485 Cb 0.03 0.05 0.02 0.00 -1.21 0.00 0.00 43.02 41.91 2jll s PHE 485 CO 0.08 -0.54 -0.07 -1.14 -1.34 0.00 0.00 175.22 172.20 2jll s GLN 486 N -3.23 1.17 -0.11 1.99 2.00 -0.15 -4.99 119.66 116.35 2jll s GLN 486 Ca -0.00 -0.22 -0.20 0.00 -2.00 0.00 0.00 55.36 52.94 2jll s GLN 486 Cb 0.02 -1.08 -0.04 0.00 0.80 0.00 0.00 33.01 32.70 2jll s GLN 486 CO -0.08 -0.06 0.56 -2.00 -0.50 0.00 0.00 175.29 173.22 2jll s GLU 487 N 0.89 4.37 0.18 1.67 2.12 -1.26 -1.31 118.70 125.35 2jll s GLU 487 Ca -0.11 0.61 0.07 0.00 0.36 0.00 0.00 54.97 55.90 2jll s GLU 487 Cb -0.15 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.75 2jll s GLU 487 CO 0.01 0.10 0.04 0.71 -0.54 0.00 0.00 175.26 175.57 2jll s TYR 488 N 0.77 2.92 -0.09 5.30 1.51 0.15 -4.93 117.35 122.98 2jll s TYR 488 Ca 0.30 -0.11 0.03 0.00 -1.01 0.00 0.00 57.07 56.29 2jll s TYR 488 Cb -0.16 -1.41 0.01 0.00 -0.11 0.00 0.00 41.96 40.29 2jll s TYR 488 CO 0.13 0.52 -0.20 0.42 -1.11 0.00 0.00 175.55 175.31 2jll s ILE 489 N -1.76 1.76 -0.31 2.71 1.01 0.68 -0.82 121.20 124.47 2jll s ILE 489 Ca 0.29 -0.84 -0.09 0.00 0.00 0.00 0.00 60.65 60.01 2jll s ILE 489 Cb -0.09 -1.54 -0.00 0.00 0.01 0.00 0.00 42.46 40.83 2jll s ILE 489 CO 0.20 0.49 0.14 -0.22 0.00 0.00 0.00 174.94 175.55 2jll s LEU 490 N 0.51 4.07 0.15 2.97 2.96 0.50 0.04 118.68 129.89 2jll s LEU 490 Ca -0.16 -0.56 0.08 0.00 -0.22 0.00 0.00 54.13 53.27 2jll s LEU 490 Cb -0.17 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.50 2jll s LEU 490 CO 0.06 -0.20 -0.09 0.00 -1.32 0.00 0.00 176.35 174.80 2jll s ALA 491 N 1.59 2.95 -0.23 5.97 0.00 0.18 -0.55 121.76 131.67 2jll s ALA 491 Ca 0.04 -1.39 -0.29 0.00 0.00 0.00 0.00 51.96 50.32 2jll s ALA 491 Cb -0.17 -0.80 -0.01 0.00 0.00 0.00 0.00 23.12 22.14 2jll s ALA 491 CO 0.06 0.53 1.37 -1.17 0.00 0.00 0.00 175.76 176.55 2jll s LEU 492 N -2.61 4.00 0.76 0.00 2.96 -1.26 -1.48 118.68 121.05 2jll s LEU 492 Ca 0.24 1.50 -0.11 0.00 -0.22 0.00 0.00 54.13 55.53 2jll s LEU 492 Cb -0.10 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.11 2jll s LEU 492 CO 0.15 -1.01 1.10 0.00 -1.32 0.00 0.00 176.35 175.26 2jll s ALA 493 N 4.25 2.25 0.24 5.97 0.00 0.51 -4.88 121.76 130.09 2jll s ALA 493 Ca 0.60 0.33 0.06 0.00 0.00 0.00 0.00 51.96 52.95 2jll s ALA 493 Cb -0.21 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.57 2jll s ALA 493 CO 0.22 -1.74 -0.06 0.34 0.00 0.00 0.00 175.76 174.52 2jll s ASP 494 N -3.22 2.32 0.69 0.00 2.15 0.64 -4.91 116.67 114.34 2jll s ASP 494 Ca 0.62 -1.15 -0.11 0.00 0.43 0.00 0.00 52.55 52.34 2jll s ASP 494 Cb -0.18 -0.09 0.01 0.00 -0.30 0.00 0.00 42.92 42.36 2jll s ASP 494 CO 0.54 -0.37 1.06 0.68 -0.17 0.00 0.00 175.17 176.91 2jll s VAL 495 N -3.17 3.89 0.77 1.11 -7.23 -1.26 -4.28 120.40 110.23 2jll s VAL 495 Ca 0.26 0.65 -0.14 0.00 -1.81 0.00 0.00 61.98 60.95 2jll s VAL 495 Cb 0.03 -3.32 0.06 0.00 0.56 0.00 0.00 36.38 33.71 2jll s VAL 495 CO 0.09 -0.77 1.19 -2.84 -0.31 0.00 0.00 175.10 172.46 2jll s PRO 496 N -4.90 1.91 0.81 4.82 0.02 -1.26 -4.42 135.00 131.99 2jll s PRO 496 Ca 0.59 1.69 -0.13 0.00 0.02 0.00 0.00 61.00 63.18 2jll s PRO 496 Cb -0.15 -1.81 0.18 0.00 0.02 0.00 0.00 34.50 32.74 2jll s PRO 496 CO 0.53 -1.99 1.10 -1.13 -0.33 0.00 0.00 177.00 175.18 2jll n SER 497 N -3.07 0.18 -4.72 2.53 3.41 -0.65 -1.85 113.62 109.46 2jll n SER 497 Ca 0.13 -1.46 -0.42 0.00 -0.26 0.00 0.00 58.87 56.86 2jll n SER 497 Cb 0.51 -0.84 -0.03 0.00 -0.26 0.00 0.00 64.21 63.59 2jll n SER 497 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2jll s SER 498 N -5.07 6.74 0.72 4.04 0.01 -1.26 -4.26 113.70 114.62 2jll s SER 498 Ca 0.63 2.47 -0.15 0.00 1.31 0.00 0.00 55.95 60.22 2jll s SER 498 Cb -0.02 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.65 2jll s SER 498 CO 0.44 -0.69 1.18 -2.84 0.41 0.00 0.00 173.24 171.74 2jll s PRO 499 N 0.73 2.25 0.33 12.44 0.02 -1.26 -4.33 135.00 145.18 2jll s PRO 499 Ca 0.64 1.66 -0.00 0.00 0.02 0.00 0.00 61.00 63.32 2jll s PRO 499 Cb -0.40 -1.86 -0.01 0.00 0.02 0.00 0.00 34.50 32.26 2jll s PRO 499 CO 0.34 -1.73 0.42 1.52 -0.33 0.00 0.00 177.00 177.21 2jll s TYR 500 N -2.10 1.23 -1.32 6.54 -0.85 -1.09 -4.21 117.35 115.54 2jll s TYR 500 Ca 0.72 -1.38 -0.04 0.00 -0.52 0.00 0.00 57.07 55.85 2jll s TYR 500 Cb -0.27 -0.25 0.02 0.00 0.38 0.00 0.00 41.96 41.84 2jll s TYR 500 CO 0.45 -1.05 0.92 0.41 -1.52 0.00 0.00 175.55 174.75 2jll n GLY 501 N -0.57 -0.39 3.72 5.49 0.00 -1.26 -0.51 105.19 111.68 2jll n GLY 501 Ca 0.03 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2jll n GLY 501 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jll s VAL 502 N -3.46 4.69 0.02 1.61 0.11 -1.26 -4.14 120.40 117.96 2jll s VAL 502 Ca 0.21 2.05 0.01 0.00 -2.93 0.00 0.00 61.98 61.32 2jll s VAL 502 Cb -0.10 -4.31 -0.01 0.00 -1.53 0.00 0.00 36.38 30.43 2jll s VAL 502 CO 0.78 0.23 -0.04 -0.54 -3.33 0.00 0.00 175.10 172.20 2jll s LYS 503 N 0.57 0.29 -0.65 1.54 -0.14 0.13 -4.98 119.74 116.51 2jll s LYS 503 Ca 0.50 -0.41 -0.19 0.00 -1.36 0.00 0.00 55.97 54.50 2jll s LYS 503 Cb -0.22 -0.09 0.10 0.00 -1.68 0.00 0.00 37.83 35.94 2jll s LYS 503 CO 0.29 0.01 0.81 0.42 -0.76 0.00 0.00 175.35 176.12 2jll s ILE 504 N -0.83 4.73 -2.85 2.17 -1.09 -1.26 -0.17 121.20 121.90 2jll s ILE 504 Ca -0.07 -0.98 0.24 0.00 -2.23 0.00 0.00 60.65 57.61 2jll s ILE 504 Cb -0.06 -4.56 0.25 0.00 -1.58 0.00 0.00 42.46 36.50 2jll s ILE 504 CO -0.00 -1.24 1.29 2.30 -1.23 0.00 0.00 174.94 176.06 2jll n ILE 505 N 5.55 0.13 -3.69 2.92 -6.64 -0.66 -4.86 119.36 112.12 2jll n ILE 505 Ca -0.04 -0.56 -0.14 0.00 -1.77 0.00 0.00 62.75 60.24 2jll n ILE 505 Cb 0.44 1.37 -0.09 0.00 -1.44 0.00 0.00 39.64 39.92 2jll n ILE 505 CO 0.00 0.00 0.00 -1.61 -1.77 0.00 0.00 176.55 173.17 2jll s GLU 506 N -1.86 0.63 -0.13 6.28 2.02 -1.21 -4.96 118.70 119.47 2jll s GLU 506 Ca 0.31 0.73 -0.10 0.00 0.02 0.00 0.00 54.97 55.92 2jll s GLU 506 Cb 0.21 0.31 0.04 0.00 0.10 0.00 0.00 34.13 34.78 2jll s GLU 506 CO 0.30 -0.08 0.34 -1.17 0.02 0.00 0.00 175.26 174.67 2jll s LEU 507 N 0.25 0.47 0.00 1.80 2.96 -1.26 -1.38 118.68 121.51 2jll s LEU 507 Ca -0.00 0.70 0.00 0.00 -0.22 0.00 0.00 54.13 54.61 2jll s LEU 507 Cb -0.04 1.13 0.00 0.00 0.50 0.00 0.00 46.19 47.78 2jll s LEU 507 CO 0.01 -0.14 0.00 -1.54 -1.32 0.00 0.00 176.35 173.36 2jll n SER 508 N 3.45 0.13 0.12 3.68 3.41 -0.40 -4.91 113.62 119.09 2jll n SER 508 Ca -0.18 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.21 2jll n SER 508 Cb 0.56 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.36 2jll n SER 508 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2jll h GLN 509 N 0.00 0.46 0.00 4.33 4.20 -1.93 0.60 115.11 122.77 2jll h GLN 509 Ca 0.00 -0.78 0.00 0.00 0.06 0.00 0.00 58.65 57.93 2jll h GLN 509 Cb 0.00 0.29 0.00 0.00 0.30 0.00 0.00 27.48 28.07 2jll h GLN 509 CO 0.00 1.37 0.00 0.25 -0.67 0.00 0.00 178.83 179.78 2jll n THR 510 N -3.64 0.43 -4.00 -0.54 -2.24 -1.26 -3.09 114.28 99.93 2jll n THR 510 Ca -0.19 -0.55 -0.08 0.00 -2.27 0.00 0.00 64.05 60.97 2jll n THR 510 Cb 1.09 0.91 -0.09 0.00 -2.10 0.00 0.00 70.33 70.14 2jll n THR 510 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2jll s THR 511 N -0.43 0.17 -0.14 4.28 -4.23 -1.26 -0.68 115.64 113.35 2jll s THR 511 Ca 0.00 -1.55 -0.29 0.00 -1.18 0.00 0.00 61.69 58.67 2jll s THR 511 Cb 0.00 -1.53 0.07 0.00 1.34 0.00 0.00 72.50 72.38 2jll s THR 511 CO 0.00 -0.76 0.70 0.00 -0.54 0.00 0.00 174.62 174.01 2jll s ALA 512 N -3.91 -1.77 -0.17 3.99 0.00 -0.47 -1.28 121.76 118.15 2jll s ALA 512 Ca 0.09 1.60 -0.03 0.00 0.00 0.00 0.00 51.96 53.61 2jll s ALA 512 Cb 0.06 -0.47 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 2jll s ALA 512 CO -0.08 -0.36 -0.04 0.21 0.00 0.00 0.00 175.76 175.48 2jll s LYS 513 N -0.57 3.58 -0.09 0.00 2.20 -0.48 0.12 119.74 124.50 2jll s LYS 513 Ca -0.07 -0.56 -0.03 0.00 -0.36 0.00 0.00 55.97 54.95 2jll s LYS 513 Cb -0.02 -2.92 -0.03 0.00 -1.51 0.00 0.00 37.83 33.34 2jll s LYS 513 CO 0.06 0.12 0.04 0.54 -0.36 0.00 0.00 175.35 175.76 2jll s VAL 514 N 0.66 4.61 0.06 4.02 0.11 0.48 -1.65 120.40 128.69 2jll s VAL 514 Ca -0.03 -0.15 0.07 0.00 -2.93 0.00 0.00 61.98 58.94 2jll s VAL 514 Cb -0.15 -2.97 -0.03 0.00 -1.53 0.00 0.00 36.38 31.71 2jll s VAL 514 CO 0.02 0.59 -0.18 -0.55 -3.33 0.00 0.00 175.10 171.65 2jll s SER 515 N -0.97 2.19 0.26 3.54 0.15 0.76 -1.39 113.70 118.25 2jll s SER 515 Ca 0.14 -0.55 -0.20 0.00 0.70 0.00 0.00 55.95 56.04 2jll s SER 515 Cb -0.12 -0.15 0.03 0.00 -1.71 0.00 0.00 66.02 64.07 2jll s SER 515 CO 0.03 0.08 0.67 0.72 1.20 0.00 0.00 173.24 175.95 2jll s PHE 516 N -0.94 -0.19 0.13 3.44 -0.71 -0.90 0.20 117.98 119.02 2jll s PHE 516 Ca 0.05 -0.22 -0.10 0.00 -1.04 0.00 0.00 56.93 55.61 2jll s PHE 516 Cb -0.09 0.63 -0.06 0.00 -1.21 0.00 0.00 43.02 42.29 2jll s PHE 516 CO 0.02 -1.15 0.45 -0.80 -1.34 0.00 0.00 175.22 172.41 2jll s ASN 517 N -2.90 6.65 0.65 1.98 0.01 0.34 -4.79 114.94 116.87 2jll s ASN 517 Ca 0.10 0.84 -0.14 0.00 -0.71 0.00 0.00 52.86 52.95 2jll s ASN 517 Cb -0.05 -2.20 -0.01 0.00 0.41 0.00 0.00 41.25 39.41 2jll s ASN 517 CO 0.04 0.09 1.07 -1.59 -1.51 0.00 0.00 177.10 175.21 2jll s LYS 518 N -2.20 3.03 0.69 -0.60 -2.85 -1.26 -2.68 119.74 113.86 2jll s LYS 518 Ca 0.38 1.19 -0.16 0.00 -1.00 0.00 0.00 55.97 56.38 2jll s LYS 518 Cb -0.13 -1.99 0.02 0.00 -2.06 0.00 0.00 37.83 33.66 2jll s LYS 518 CO 0.20 -1.04 1.21 -2.14 0.10 0.00 0.00 175.35 173.67 2jll s PRO 519 N -4.35 2.40 0.03 1.78 0.02 -1.26 -4.70 135.00 128.92 2jll s PRO 519 Ca 0.63 1.77 0.24 0.00 0.02 0.00 0.00 61.00 63.67 2jll s PRO 519 Cb -0.17 -1.86 1.01 0.00 0.02 0.00 0.00 34.50 33.50 2jll s PRO 519 CO 0.43 -1.64 1.77 -0.25 -0.33 0.00 0.00 177.00 176.99 2jll n ASP 520 N -2.39 0.10 -3.81 2.53 10.43 -1.26 -4.60 116.55 117.54 2jll n ASP 520 Ca 0.13 0.51 -0.22 0.00 2.57 0.00 0.00 54.79 57.79 2jll n ASP 520 Cb 0.50 -0.54 -0.17 0.00 1.84 0.00 0.00 41.12 42.75 2jll n ASP 520 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 2jll s SER 521 N -3.19 1.33 0.00 -2.24 0.15 -1.26 -5.00 113.70 103.50 2jll s SER 521 Ca 0.11 -0.10 0.27 0.00 0.70 0.00 0.00 55.95 56.93 2jll s SER 521 Cb 0.15 -0.44 0.77 0.00 -1.71 0.00 0.00 66.02 64.80 2jll s SER 521 CO 0.45 -0.15 1.58 0.00 1.20 0.00 0.00 173.24 176.32 2jll n HIS 522 N 4.76 0.00 -0.81 3.44 1.44 -1.26 -1.64 115.22 121.16 2jll n HIS 522 Ca -0.14 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.57 2jll n HIS 522 Cb 0.50 -0.08 0.00 0.00 0.12 0.00 0.00 29.99 30.53 2jll n HIS 522 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2jll n GLY 523 N 1.30 0.82 0.00 -1.39 0.00 -1.26 -3.91 105.19 100.75 2jll n GLY 523 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2jll n GLY 523 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jll n GLY 524 N -2.23 2.45 3.18 -0.02 0.00 -1.26 -0.26 105.19 107.04 2jll n GLY 524 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2jll n GLY 524 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jll s VAL 525 N -2.54 1.24 0.38 1.61 -7.23 -1.25 -4.71 120.40 107.89 2jll s VAL 525 Ca 0.00 -1.13 -0.27 0.00 -1.81 0.00 0.00 61.98 58.77 2jll s VAL 525 Cb 0.00 -1.13 -0.10 0.00 0.56 0.00 0.00 36.38 35.71 2jll s VAL 525 CO 0.00 -0.02 1.42 -2.84 -0.31 0.00 0.00 175.10 173.35 2jll s PRO 526 N -1.32 4.08 0.33 4.82 0.02 -1.26 -4.73 135.00 136.93 2jll s PRO 526 Ca 0.02 2.42 -0.29 0.00 0.02 0.00 0.00 61.00 63.17 2jll s PRO 526 Cb -0.09 -2.91 -0.11 0.00 0.02 0.00 0.00 34.50 31.41 2jll s PRO 526 CO 0.02 -0.50 1.53 0.42 -0.33 0.00 0.00 177.00 178.14 2jll s ILE 527 N -1.16 2.11 -0.25 2.83 1.01 -1.26 -4.15 121.20 120.32 2jll s ILE 527 Ca 0.54 0.10 -0.04 0.00 0.00 0.00 0.00 60.65 61.24 2jll s ILE 527 Cb -0.44 -3.06 -0.16 0.00 0.01 0.00 0.00 42.46 38.81 2jll s ILE 527 CO 0.58 0.02 -0.21 1.57 0.00 0.00 0.00 174.94 176.90 2jll n HIS 528 N 1.44 0.13 -3.45 3.97 -0.00 0.12 -4.92 115.22 112.51 2jll n HIS 528 Ca 0.05 0.04 -0.05 0.00 -0.00 0.00 0.00 57.72 57.75 2jll n HIS 528 Cb 0.38 -1.02 0.02 0.00 -0.00 0.00 0.00 29.99 29.37 2jll n HIS 528 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2jll n HIS 529 N -3.61 -1.77 -4.40 1.57 -0.00 -1.16 -4.23 115.22 101.63 2jll n HIS 529 Ca -0.47 -1.05 -0.27 0.00 -0.00 0.00 0.00 57.72 55.93 2jll n HIS 529 Cb 0.95 0.52 -0.12 0.00 -0.00 0.00 0.00 29.99 31.35 2jll n HIS 529 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 2jll s TYR 530 N -5.12 2.23 -0.12 -1.40 2.02 -1.26 -1.22 117.35 112.48 2jll s TYR 530 Ca 0.09 -0.38 0.02 0.00 -0.37 0.00 0.00 57.07 56.43 2jll s TYR 530 Cb -0.03 -1.13 0.01 0.00 -0.40 0.00 0.00 41.96 40.41 2jll s TYR 530 CO 0.07 0.43 -0.17 -1.14 -1.57 0.00 0.00 175.55 173.16 2jll s GLN 531 N -2.50 2.48 -0.26 -0.62 0.74 0.75 -0.70 119.66 119.56 2jll s GLN 531 Ca 0.18 -0.66 -0.07 0.00 0.05 0.00 0.00 55.36 54.86 2jll s GLN 531 Cb -0.08 -2.09 -0.02 0.00 1.10 0.00 0.00 33.01 31.92 2jll s GLN 531 CO 0.08 -0.06 0.07 0.08 -0.55 0.00 0.00 175.29 174.91 2jll s VAL 532 N 0.98 4.23 0.03 1.34 1.01 0.04 -0.89 120.40 127.15 2jll s VAL 532 Ca -0.06 -0.28 -0.25 0.00 0.00 0.00 0.00 61.98 61.39 2jll s VAL 532 Cb -0.15 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 2jll s VAL 532 CO -0.03 0.29 0.77 -1.81 0.00 0.00 0.00 175.10 174.32 2jll s ASP 533 N 1.59 7.19 -0.04 3.32 1.11 0.20 -1.57 116.67 128.48 2jll s ASP 533 Ca 0.06 1.42 0.01 0.00 0.18 0.00 0.00 52.55 54.22 2jll s ASP 533 Cb -0.15 -2.47 0.02 0.00 1.07 0.00 0.00 42.92 41.39 2jll s ASP 533 CO 0.03 -0.01 -0.04 0.54 1.18 0.00 0.00 175.17 176.87 2jll s VAL 534 N 0.10 0.51 -0.05 -1.27 0.11 -0.71 -1.60 120.40 117.48 2jll s VAL 534 Ca 0.39 -0.10 -0.02 0.00 -2.93 0.00 0.00 61.98 59.31 2jll s VAL 534 Cb -0.20 -0.54 0.03 0.00 -1.53 0.00 0.00 36.38 34.14 2jll s VAL 534 CO 0.23 0.22 0.11 -0.75 -3.33 0.00 0.00 175.10 171.58 2jll s LYS 535 N 0.94 0.07 0.25 1.54 2.20 0.27 -1.75 119.74 123.26 2jll s LYS 535 Ca -0.11 0.29 -0.31 0.00 -0.36 0.00 0.00 55.97 55.49 2jll s LYS 535 Cb -0.14 -0.16 -0.12 0.00 -1.51 0.00 0.00 37.83 35.90 2jll s LYS 535 CO -0.00 -0.14 1.63 0.39 -0.36 0.00 0.00 175.35 176.86 2jll n GLU 536 N 4.01 2.62 -0.28 4.03 1.02 -1.26 -0.38 120.64 130.40 2jll n GLU 536 Ca -0.24 0.94 0.13 0.00 -0.02 0.00 0.00 57.16 57.96 2jll n GLU 536 Cb 0.53 -2.73 0.39 0.00 -0.02 0.00 0.00 31.44 29.60 2jll n GLU 536 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 2jll h VAL 537 N 3.51 0.80 -0.02 2.62 -1.51 -1.78 0.11 116.25 119.97 2jll h VAL 537 Ca -0.45 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 64.79 2jll h VAL 537 Cb 1.22 0.08 0.00 0.00 -2.13 0.00 0.00 31.29 30.46 2jll h VAL 537 CO 0.86 0.12 0.00 0.00 -1.23 0.00 0.00 177.57 177.32 2jll n ALA 538 N -2.43 2.62 -2.49 5.19 0.00 -1.26 -4.83 120.51 117.30 2jll n ALA 538 Ca 0.18 -0.22 -0.23 0.00 0.00 0.00 0.00 53.44 53.16 2jll n ALA 538 Cb 0.51 -1.32 -0.07 0.00 0.00 0.00 0.00 19.45 18.57 2jll n ALA 538 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jll s SER 539 N -1.73 4.60 0.00 0.00 0.15 0.37 -5.04 113.70 112.05 2jll s SER 539 Ca 0.35 -0.85 0.07 0.00 0.70 0.00 0.00 55.95 56.22 2jll s SER 539 Cb 0.17 -0.65 0.01 0.00 -1.71 0.00 0.00 66.02 63.83 2jll s SER 539 CO 0.28 -0.36 0.55 -1.84 1.20 0.00 0.00 173.24 173.07 2jll n GLU 540 N -1.17 1.92 -3.58 5.44 0.00 -1.26 -4.79 120.64 117.20 2jll n GLU 540 Ca -0.02 -0.57 -0.39 0.00 0.00 0.00 0.00 57.16 56.18 2jll n GLU 540 Cb 0.62 -1.01 -0.11 0.00 0.00 0.00 0.00 31.44 30.94 2jll n GLU 540 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2jll s ILE 541 N -1.00 5.12 0.29 3.84 1.01 -1.26 -5.07 121.20 124.12 2jll s ILE 541 Ca 0.06 -0.13 -0.28 0.00 0.00 0.00 0.00 60.65 60.31 2jll s ILE 541 Cb 0.06 -3.55 -0.10 0.00 0.01 0.00 0.00 42.46 38.88 2jll s ILE 541 CO 0.16 0.11 0.94 0.26 0.00 0.00 0.00 174.94 176.41 2jll s TRP 542 N 1.71 3.81 0.15 3.97 0.52 -1.26 -4.64 118.94 123.19 2jll s TRP 542 Ca 0.06 1.83 0.08 0.00 0.02 0.00 0.00 56.10 58.09 2jll s TRP 542 Cb -0.17 -2.94 -0.04 0.00 -1.15 0.00 0.00 33.47 29.17 2jll s TRP 542 CO 0.10 0.31 -0.07 0.15 0.02 0.00 0.00 176.95 177.45 2jll s LYS 543 N -1.72 2.17 -0.09 4.98 1.02 -0.72 -4.95 119.74 120.43 2jll s LYS 543 Ca 0.47 -1.15 0.01 0.00 0.02 0.00 0.00 55.97 55.32 2jll s LYS 543 Cb -0.21 -2.26 -0.02 0.00 -0.52 0.00 0.00 37.83 34.82 2jll s LYS 543 CO 0.27 0.46 -0.12 0.42 -0.92 0.00 0.00 175.35 175.46 2jll s ILE 544 N -1.55 3.24 -0.15 2.17 -1.09 -1.26 -1.74 121.20 120.82 2jll s ILE 544 Ca 0.24 -0.63 -0.01 0.00 -2.23 0.00 0.00 60.65 58.03 2jll s ILE 544 Cb -0.10 -2.32 0.04 0.00 -1.58 0.00 0.00 42.46 38.50 2jll s ILE 544 CO 0.16 0.56 -0.05 -0.69 -1.23 0.00 0.00 174.94 173.69 2jll s VAL 545 N -0.31 1.03 -0.10 2.92 1.01 -0.61 -5.00 120.40 119.35 2jll s VAL 545 Ca 0.03 -0.51 -0.21 0.00 0.00 0.00 0.00 61.98 61.29 2jll s VAL 545 Cb -0.13 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 2jll s VAL 545 CO 0.03 0.18 0.60 -0.13 0.00 0.00 0.00 175.10 175.78 2jll s ARG 546 N 1.68 4.37 1.05 2.72 0.52 -1.26 -0.78 118.95 127.25 2jll s ARG 546 Ca 0.02 0.68 -0.12 0.00 -0.52 0.00 0.00 55.73 55.79 2jll s ARG 546 Cb -0.14 -3.46 0.22 0.00 0.52 0.00 0.00 34.95 32.09 2jll s ARG 546 CO -0.08 0.07 1.07 -1.54 0.02 0.00 0.00 175.30 174.84 2jll s SER 547 N 0.78 1.95 -0.71 0.23 1.04 0.12 -4.95 113.70 112.15 2jll s SER 547 Ca 0.32 1.60 -0.20 0.00 0.48 0.00 0.00 55.95 58.15 2jll s SER 547 Cb -0.16 -2.28 0.10 0.00 0.10 0.00 0.00 66.02 63.78 2jll s SER 547 CO 0.14 -3.61 0.92 -2.28 0.98 0.00 0.00 173.24 169.39 2jll s HIS 548 N -2.64 2.92 0.00 5.02 2.46 -1.26 -4.69 115.29 117.11 2jll s HIS 548 Ca 0.67 -0.94 0.00 0.00 0.47 0.00 0.00 55.06 55.26 2jll s HIS 548 Cb -0.23 -4.19 0.00 0.00 -0.13 0.00 0.00 32.58 28.04 2jll s HIS 548 CO 0.61 -1.48 0.00 0.41 -2.47 0.00 0.00 174.74 171.81 2jll n GLY 549 N 5.30 1.66 1.22 1.59 0.00 -1.26 -3.41 105.19 110.29 2jll n GLY 549 Ca 0.02 -0.59 0.05 0.00 0.00 0.00 0.00 46.02 45.50 2jll n GLY 549 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2jll n VAL 550 N 0.00 1.39 -1.86 1.61 0.24 -1.26 -4.04 118.33 114.40 2jll n VAL 550 Ca 0.00 -0.80 -0.42 0.00 -2.04 0.00 0.00 64.34 61.08 2jll n VAL 550 Cb 0.00 -0.14 -0.03 0.00 -1.47 0.00 0.00 33.84 32.20 2jll n VAL 550 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2jll s GLN 551 N -1.87 4.18 -0.17 7.34 -0.21 -1.22 -4.89 119.66 122.82 2jll s GLN 551 Ca 0.34 2.45 0.01 0.00 0.02 0.00 0.00 55.36 58.17 2jll s GLN 551 Cb 0.23 -3.12 0.19 0.00 1.00 0.00 0.00 33.01 31.31 2jll s GLN 551 CO 0.14 -0.66 1.54 0.25 -2.12 0.00 0.00 175.29 174.45 2jll n THR 552 N 3.92 2.00 -3.75 -0.19 -2.24 -1.26 -4.76 114.28 107.99 2jll n THR 552 Ca 0.14 -0.85 -0.13 0.00 -2.27 0.00 0.00 64.05 60.95 2jll n THR 552 Cb 0.37 -1.02 -0.13 0.00 -2.10 0.00 0.00 70.33 67.45 2jll n THR 552 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jll s MET 553 N -1.13 0.21 -0.03 -0.78 0.23 -1.26 -2.11 119.30 114.43 2jll s MET 553 Ca 0.19 0.44 0.03 0.00 -1.03 0.00 0.00 55.69 55.33 2jll s MET 553 Cb 0.16 -0.05 -0.00 0.00 -1.53 0.00 0.00 34.83 33.41 2jll s MET 553 CO 0.02 -0.12 -0.12 0.08 -2.03 0.00 0.00 175.02 172.85 2jll s VAL 554 N 0.90 1.02 -0.23 5.16 1.01 -0.48 -4.78 120.40 123.00 2jll s VAL 554 Ca -0.06 -0.50 -0.14 0.00 0.00 0.00 0.00 61.98 61.28 2jll s VAL 554 Cb -0.08 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 2jll s VAL 554 CO -0.06 0.30 0.30 -0.69 0.00 0.00 0.00 175.10 174.96 2jll s VAL 555 N 0.07 5.26 -0.19 2.92 1.01 -1.26 -0.39 120.40 127.82 2jll s VAL 555 Ca -0.02 0.47 -0.17 0.00 0.00 0.00 0.00 61.98 62.26 2jll s VAL 555 Cb -0.09 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 2jll s VAL 555 CO 0.01 0.27 0.45 -0.76 0.00 0.00 0.00 175.10 175.07 2jll s LEU 556 N 1.38 4.16 0.37 3.92 1.43 0.34 -4.95 118.68 125.33 2jll s LEU 556 Ca 0.14 0.60 0.08 0.00 -1.03 0.00 0.00 54.13 53.92 2jll s LEU 556 Cb -0.15 -2.61 -0.04 0.00 0.03 0.00 0.00 46.19 43.43 2jll s LEU 556 CO 0.07 -0.11 0.24 0.20 0.23 0.00 0.00 176.35 176.98 2jll s ASN 557 N 1.05 4.86 -1.59 2.29 0.01 -1.26 -1.37 114.94 118.93 2jll s ASN 557 Ca 0.22 -0.76 0.00 0.00 -0.71 0.00 0.00 52.86 51.61 2jll s ASN 557 Cb -0.15 -0.70 0.00 0.00 0.41 0.00 0.00 41.25 40.81 2jll s ASN 557 CO 0.09 -0.44 0.00 0.59 -1.51 0.00 0.00 177.10 175.83 2jll n ASN 558 N -1.31 -5.02 -4.85 -1.22 5.03 -0.60 -4.91 115.26 102.38 2jll n ASN 558 Ca -0.01 0.15 -0.32 0.00 0.87 0.00 0.00 54.58 55.28 2jll n ASN 558 Cb 0.62 -4.08 -0.00 0.00 -1.02 0.00 0.00 39.78 35.30 2jll n ASN 558 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2jll s LEU 559 N -4.49 3.39 0.07 3.41 1.43 0.14 -5.03 118.68 117.60 2jll s LEU 559 Ca 0.00 1.52 -0.21 0.00 -1.03 0.00 0.00 54.13 54.41 2jll s LEU 559 Cb 0.00 -4.49 -0.07 0.00 0.03 0.00 0.00 46.19 41.66 2jll s LEU 559 CO 0.00 -0.83 0.64 -1.61 0.23 0.00 0.00 176.35 174.78 2jll s GLU 560 N -4.66 4.34 0.66 1.70 0.41 -1.26 -4.28 118.70 115.61 2jll s GLU 560 Ca 0.57 0.86 -0.18 0.00 -0.41 0.00 0.00 54.97 55.82 2jll s GLU 560 Cb -0.11 -3.28 -0.00 0.00 -1.78 0.00 0.00 34.13 28.95 2jll s GLU 560 CO 0.44 0.53 1.28 -2.14 -0.49 0.00 0.00 175.26 174.88 2jll s PRO 561 N -0.80 2.49 -1.55 0.39 0.02 -1.18 -3.36 135.00 131.01 2jll s PRO 561 Ca 0.32 2.02 -0.14 0.00 0.02 0.00 0.00 61.00 63.21 2jll s PRO 561 Cb -0.20 -1.84 0.09 0.00 0.02 0.00 0.00 34.50 32.57 2jll s PRO 561 CO 0.21 -1.63 0.97 -1.71 -0.33 0.00 0.00 177.00 174.51 2jll n ASN 562 N -2.02 -4.73 -4.19 2.53 5.15 0.55 -4.90 115.26 107.65 2jll n ASN 562 Ca 0.15 -0.80 -0.29 0.00 -0.60 0.00 0.00 54.58 53.04 2jll n ASN 562 Cb 0.48 -3.78 -0.16 0.00 -0.53 0.00 0.00 39.78 35.79 2jll n ASN 562 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2jll s THR 563 N -3.29 1.75 -0.09 -0.44 2.01 -1.21 -4.88 115.64 109.49 2jll s THR 563 Ca 0.68 -0.88 -0.25 0.00 0.31 0.00 0.00 61.69 61.55 2jll s THR 563 Cb -0.34 -1.51 -0.03 0.00 0.01 0.00 0.00 72.50 70.63 2jll s THR 563 CO 0.84 0.49 0.77 -0.89 -0.69 0.00 0.00 174.62 175.14 2jll s THR 564 N 0.10 4.98 0.09 -0.82 2.01 -1.26 -1.65 115.64 119.09 2jll s THR 564 Ca -0.08 1.56 0.10 0.00 0.31 0.00 0.00 61.69 63.58 2jll s THR 564 Cb -0.14 -4.10 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 2jll s THR 564 CO 0.04 0.17 -0.25 -0.31 -0.69 0.00 0.00 174.62 173.59 2jll s TYR 565 N 1.23 2.14 0.09 4.92 2.02 0.13 -2.23 117.35 125.64 2jll s TYR 565 Ca 0.39 -0.39 0.07 0.00 -0.37 0.00 0.00 57.07 56.77 2jll s TYR 565 Cb -0.18 -1.20 -0.04 0.00 -0.40 0.00 0.00 41.96 40.14 2jll s TYR 565 CO 0.18 0.23 -0.12 -1.83 -1.57 0.00 0.00 175.55 172.44 2jll s GLU 566 N -1.74 2.12 0.06 -0.62 -1.05 0.49 -1.59 118.70 116.37 2jll s GLU 566 Ca 0.11 -1.01 -0.06 0.00 -0.15 0.00 0.00 54.97 53.87 2jll s GLU 566 Cb -0.10 -2.29 -0.01 0.00 -0.44 0.00 0.00 34.13 31.29 2jll s GLU 566 CO 0.04 0.52 0.11 0.96 0.95 0.00 0.00 175.26 177.84 2jll s ILE 567 N -1.14 0.16 0.00 1.83 -4.36 -0.23 -0.56 121.20 116.90 2jll s ILE 567 Ca 0.20 -1.32 -0.20 0.00 -0.26 0.00 0.00 60.65 59.07 2jll s ILE 567 Cb -0.11 -1.26 0.04 0.00 1.25 0.00 0.00 42.46 42.39 2jll s ILE 567 CO 0.11 -0.73 0.45 0.00 0.24 0.00 0.00 174.94 175.02 2jll s ARG 568 N -3.50 0.88 0.03 0.37 1.70 -0.63 -1.24 118.95 116.56 2jll s ARG 568 Ca 0.03 -0.15 0.06 0.00 -0.47 0.00 0.00 55.73 55.20 2jll s ARG 568 Cb 0.04 0.40 -0.02 0.00 -0.57 0.00 0.00 34.95 34.80 2jll s ARG 568 CO -0.09 -0.28 -0.19 0.08 -1.08 0.00 0.00 175.30 173.74 2jll s VAL 569 N -1.79 1.52 -0.04 4.99 1.01 -1.26 -0.62 120.40 124.21 2jll s VAL 569 Ca -0.09 -1.05 -0.02 0.00 0.00 0.00 0.00 61.98 60.81 2jll s VAL 569 Cb -0.02 -1.31 0.02 0.00 0.00 0.00 0.00 36.38 35.06 2jll s VAL 569 CO 0.03 0.23 0.09 0.00 0.00 0.00 0.00 175.10 175.45 2jll s ALA 570 N -0.70 -0.18 0.22 5.51 0.00 -0.06 -1.14 121.76 125.40 2jll s ALA 570 Ca 0.06 0.32 -0.17 0.00 0.00 0.00 0.00 51.96 52.18 2jll s ALA 570 Cb -0.08 -0.21 -0.08 0.00 0.00 0.00 0.00 23.12 22.75 2jll s ALA 570 CO 0.01 -0.07 0.67 0.00 0.00 0.00 0.00 175.76 176.38 2jll s ALA 571 N 0.38 3.45 -0.16 0.00 0.00 -1.26 -0.17 121.76 124.00 2jll s ALA 571 Ca -0.03 0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.99 2jll s ALA 571 Cb -0.04 -2.72 -0.00 0.00 0.00 0.00 0.00 23.12 20.36 2jll s ALA 571 CO -0.01 0.37 -0.16 0.08 0.00 0.00 0.00 175.76 176.04 2jll s VAL 572 N -1.60 2.62 0.22 0.00 1.01 -0.35 0.12 120.40 122.43 2jll s VAL 572 Ca 0.44 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.64 2jll s VAL 572 Cb -0.15 -2.11 0.01 0.00 0.00 0.00 0.00 36.38 34.14 2jll s VAL 572 CO 0.20 0.52 0.08 -0.46 0.00 0.00 0.00 175.10 175.44 2jll n ASN 573 N 4.09 2.14 0.25 3.32 0.23 0.27 0.11 115.26 125.67 2jll n ASN 573 Ca -0.19 -1.84 0.08 0.00 -0.53 0.00 0.00 54.58 52.09 2jll n ASN 573 Cb 0.52 0.06 0.61 0.00 -2.08 0.00 0.00 39.78 38.89 2jll n ASN 573 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 2jll h GLY 574 N 0.38 0.00 1.30 4.83 0.00 -1.85 -1.65 103.07 106.09 2jll h GLY 574 Ca -0.16 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 46.93 2jll h GLY 574 CO 0.26 0.00 -0.95 1.70 0.00 0.00 0.00 176.54 177.55 2jll h LYS 575 N 0.00 0.64 0.00 4.80 3.64 -1.94 -3.50 116.57 120.21 2jll h LYS 575 Ca -0.00 -0.64 0.00 0.00 -1.27 0.00 0.00 60.65 58.74 2jll h LYS 575 Cb 0.12 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2jll h LYS 575 CO 0.01 1.24 0.00 0.41 -2.27 0.00 0.00 179.45 178.84 2jll n GLY 576 N 0.94 -0.51 3.73 5.01 0.00 -0.62 -5.00 105.19 108.73 2jll n GLY 576 Ca -0.09 -0.90 -0.40 0.00 0.00 0.00 0.00 46.02 44.63 2jll n GLY 576 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jll s GLN 577 N -1.74 4.44 0.06 1.61 0.74 -1.26 -0.57 119.66 122.94 2jll s GLN 577 Ca 0.00 0.93 -0.01 0.00 0.05 0.00 0.00 55.36 56.33 2jll s GLN 577 Cb 0.00 -3.40 0.01 0.00 1.10 0.00 0.00 33.01 30.72 2jll s GLN 577 CO 0.00 0.18 0.08 0.41 -0.55 0.00 0.00 175.29 175.41 2jll n GLY 578 N 2.77 -1.11 3.78 2.59 0.00 0.33 -4.76 105.19 108.79 2jll n GLY 578 Ca -0.02 -1.68 -0.36 0.00 0.00 0.00 0.00 46.02 43.96 2jll n GLY 578 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jll s ASP 579 N -1.28 6.50 0.41 1.61 1.01 -0.77 -4.71 116.67 119.44 2jll s ASP 579 Ca 0.04 2.08 -0.22 0.00 0.71 0.00 0.00 52.55 55.16 2jll s ASP 579 Cb -0.00 -2.58 -0.10 0.00 1.01 0.00 0.00 42.92 41.24 2jll s ASP 579 CO 0.03 -0.67 0.96 -0.31 0.21 0.00 0.00 175.17 175.39 2jll s TYR 580 N -1.70 3.37 0.98 4.23 2.02 -1.26 -4.01 117.35 120.97 2jll s TYR 580 Ca 0.62 1.65 -0.13 0.00 -0.37 0.00 0.00 57.07 58.84 2jll s TYR 580 Cb -0.22 -2.90 0.18 0.00 -0.40 0.00 0.00 41.96 38.61 2jll s TYR 580 CO 0.28 -0.13 1.11 -1.54 -1.57 0.00 0.00 175.55 173.70 2jll s SER 581 N -2.00 2.85 0.52 2.29 1.04 -0.29 -4.74 113.70 113.37 2jll s SER 581 Ca 0.60 1.07 -0.22 0.00 0.48 0.00 0.00 55.95 57.87 2jll s SER 581 Cb -0.13 -1.69 -0.06 0.00 0.10 0.00 0.00 66.02 64.25 2jll s SER 581 CO 0.17 -2.97 1.21 0.29 0.98 0.00 0.00 173.24 172.91 2jll n LYS 582 N -4.06 1.50 -1.94 4.02 4.01 -1.26 -4.63 118.16 115.81 2jll n LYS 582 Ca 0.06 0.55 -0.38 0.00 -0.51 0.00 0.00 58.31 58.03 2jll n LYS 582 Cb 0.58 -2.38 0.03 0.00 -0.51 0.00 0.00 35.03 32.75 2jll n LYS 582 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2jll s ILE 583 N -1.32 2.41 -0.02 -0.18 1.01 -1.26 -4.73 121.20 117.11 2jll s ILE 583 Ca 0.70 0.30 0.03 0.00 0.00 0.00 0.00 60.65 61.68 2jll s ILE 583 Cb -0.45 -3.15 -0.00 0.00 0.01 0.00 0.00 42.46 38.87 2jll s ILE 583 CO 0.51 -0.01 -0.09 -0.70 0.00 0.00 0.00 174.94 174.64 2jll s GLU 584 N -2.93 0.89 -0.01 2.79 2.56 -0.37 -4.95 118.70 116.68 2jll s GLU 584 Ca 0.71 -0.32 0.05 0.00 0.00 0.00 0.00 54.97 55.40 2jll s GLU 584 Cb -0.36 -0.85 -0.03 0.00 2.00 0.00 0.00 34.13 34.90 2jll s GLU 584 CO 0.42 0.15 -0.16 0.42 -0.56 0.00 0.00 175.26 175.54 2jll s ILE 585 N 0.02 2.96 0.20 -3.70 1.01 -1.26 -1.06 121.20 119.36 2jll s ILE 585 Ca -0.00 -0.91 -0.15 0.00 0.00 0.00 0.00 60.65 59.58 2jll s ILE 585 Cb -0.07 -2.19 0.02 0.00 0.01 0.00 0.00 42.46 40.23 2jll s ILE 585 CO 0.00 0.49 0.47 0.72 0.00 0.00 0.00 174.94 176.62 2jll s PHE 586 N -0.82 0.04 -0.06 3.97 -0.12 -0.62 -5.00 117.98 115.37 2jll s PHE 586 Ca 0.13 -0.40 0.01 0.00 -0.05 0.00 0.00 56.93 56.62 2jll s PHE 586 Cb -0.11 0.28 0.02 0.00 -0.63 0.00 0.00 43.02 42.59 2jll s PHE 586 CO 0.03 -0.89 -0.07 -1.14 -0.05 0.00 0.00 175.22 173.10 2jll s GLN 587 N -3.91 1.17 0.56 1.99 0.74 -1.26 0.17 119.66 119.12 2jll s GLN 587 Ca 0.12 -0.20 -0.18 0.00 0.05 0.00 0.00 55.36 55.15 2jll s GLN 587 Cb -0.00 -1.12 -0.05 0.00 1.10 0.00 0.00 33.01 32.94 2jll s GLN 587 CO -0.01 -0.09 1.09 0.95 -0.55 0.00 0.00 175.29 176.68 2jll s THR 588 N 1.04 3.46 0.80 -0.34 -4.23 -0.66 -4.87 115.64 110.84 2jll s THR 588 Ca -0.09 0.82 -0.13 0.00 -1.18 0.00 0.00 61.69 61.11 2jll s THR 588 Cb -0.14 -3.31 0.08 0.00 1.34 0.00 0.00 72.50 70.47 2jll s THR 588 CO -0.00 -0.29 1.20 -0.76 -0.54 0.00 0.00 174.62 174.23 2jll s LEU 589 N -4.07 3.14 0.52 4.79 1.43 0.20 -1.87 118.68 122.82 2jll s LEU 589 Ca 0.68 2.33 -0.12 0.00 -1.03 0.00 0.00 54.13 56.00 2jll s LEU 589 Cb -0.20 -4.58 -0.06 0.00 0.03 0.00 0.00 46.19 41.38 2jll s LEU 589 CO 0.30 -2.62 0.93 -2.84 0.23 0.00 0.00 176.35 172.34 2jll s PRO 590 N -4.17 3.74 0.37 1.29 0.02 -1.26 -0.33 135.00 134.67 2jll s PRO 590 Ca 0.72 0.68 -0.27 0.00 0.02 0.00 0.00 61.00 62.15 2jll s PRO 590 Cb -0.28 -2.20 -0.10 0.00 0.02 0.00 0.00 34.50 31.94 2jll s PRO 590 CO 0.50 -0.31 1.36 0.08 -0.33 0.00 0.00 177.00 178.30 2jll s VAL 591 N -2.77 2.47 0.28 3.83 1.01 -1.26 -4.86 120.40 119.10 2jll s VAL 591 Ca 0.54 0.45 0.06 0.00 0.00 0.00 0.00 61.98 63.04 2jll s VAL 591 Cb -0.10 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 2jll s VAL 591 CO 0.41 0.09 0.22 -2.11 0.00 0.00 0.00 175.10 173.71 2jll n ARG 592 N 0.44 0.38 -1.03 2.72 1.85 -0.37 -5.05 116.66 115.59 2jll n ARG 592 Ca 0.02 -2.76 -0.31 0.00 -1.00 0.00 0.00 57.85 53.80 2jll n ARG 592 Cb 0.42 2.15 0.13 0.00 -1.05 0.00 0.00 32.46 34.12 2jll n ARG 592 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 2jll s GLU 593 N -3.14 1.46 0.66 2.89 1.03 -1.26 -4.50 118.70 115.85 2jll s GLU 593 Ca 0.31 1.19 -0.15 0.00 0.03 0.00 0.00 54.97 56.34 2jll s GLU 593 Cb 0.01 -1.80 0.00 0.00 -0.80 0.00 0.00 34.13 31.54 2jll s GLU 593 CO 0.22 -2.21 1.13 -2.14 -1.33 0.00 0.00 175.26 170.93 2jll s PRO 594 N -4.81 2.72 0.69 -4.83 0.02 -1.24 -4.53 135.00 123.02 2jll s PRO 594 Ca 0.64 1.47 -0.13 0.00 0.02 0.00 0.00 61.00 63.00 2jll s PRO 594 Cb -0.19 -1.93 0.02 0.00 0.02 0.00 0.00 34.50 32.41 2jll s PRO 594 CO 0.57 -1.33 1.09 -1.12 -0.33 0.00 0.00 177.00 175.89 2jll s SER 595 N -2.43 5.01 0.19 2.53 0.01 -0.63 -4.11 113.70 114.28 2jll s SER 595 Ca 0.69 1.88 -0.33 0.00 1.31 0.00 0.00 55.95 59.50 2jll s SER 595 Cb -0.22 -2.53 -0.15 0.00 0.21 0.00 0.00 66.02 63.33 2jll s SER 595 CO 0.41 -1.69 1.35 -2.65 0.41 0.00 0.00 173.24 171.06 2jll n PRO 596 N -2.81 1.68 -1.04 12.44 -0.02 -1.26 -4.74 135.00 139.25 2jll n PRO 596 Ca 0.09 0.60 -0.32 0.00 -2.02 0.00 0.00 63.50 61.86 2jll n PRO 596 Cb 0.53 -2.22 0.13 0.00 -0.02 0.00 0.00 33.50 31.91 2jll n PRO 596 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2jll s PRO 597 N -0.13 1.67 -0.12 0.52 0.02 -1.26 -4.88 135.00 130.83 2jll s PRO 597 Ca 0.73 1.45 0.02 0.00 0.02 0.00 0.00 61.00 63.22 2jll s PRO 597 Cb -0.75 -1.81 0.01 0.00 0.02 0.00 0.00 34.50 31.98 2jll s PRO 597 CO 0.49 -2.13 -0.17 0.45 -0.33 0.00 0.00 177.00 175.31 2jll s SER 598 N -2.81 2.66 0.05 2.53 0.15 -1.26 -4.72 113.70 110.30 2jll s SER 598 Ca 0.66 -0.48 0.01 0.00 0.70 0.00 0.00 55.95 56.83 2jll s SER 598 Cb -0.22 -1.20 -0.03 0.00 -1.71 0.00 0.00 66.02 62.86 2jll s SER 598 CO 0.55 0.03 -0.05 0.27 1.20 0.00 0.00 173.24 175.24 2jll s ILE 599 N 0.97 0.37 0.21 6.45 -4.36 -1.26 -1.17 121.20 122.41 2jll s ILE 599 Ca -0.06 -1.39 -0.08 0.00 -0.26 0.00 0.00 60.65 58.86 2jll s ILE 599 Cb -0.15 -0.96 -0.02 0.00 1.25 0.00 0.00 42.46 42.58 2jll s ILE 599 CO -0.02 -0.67 0.31 -1.00 0.24 0.00 0.00 174.94 173.80 2jll s HIS 600 N -2.50 0.64 0.32 1.37 3.76 -1.11 -4.99 115.29 112.78 2jll s HIS 600 Ca -0.03 -0.96 0.06 0.00 -0.15 0.00 0.00 55.06 53.99 2jll s HIS 600 Cb -0.02 -0.12 -0.03 0.00 1.11 0.00 0.00 32.58 33.51 2jll s HIS 600 CO -0.04 -0.81 0.26 0.20 -0.85 0.00 0.00 174.74 173.51 2jll s GLY 601 N -3.05 2.25 0.17 -2.22 0.00 -1.26 -0.18 107.32 103.02 2jll s GLY 601 Ca 0.27 -2.04 -0.20 0.00 0.00 0.00 0.00 44.72 42.75 2jll s GLY 601 CO 0.08 -1.47 0.55 -0.86 0.00 0.00 0.00 173.10 171.40 2jll s GLN 602 N -3.52 1.30 0.31 2.90 -2.07 -0.94 -5.00 119.66 112.64 2jll s GLN 602 Ca 0.41 -0.64 -0.29 0.00 -1.82 0.00 0.00 55.36 53.01 2jll s GLN 602 Cb 0.03 0.55 -0.11 0.00 -1.09 0.00 0.00 33.01 32.40 2jll s GLN 602 CO 0.26 -0.56 1.47 -1.25 -1.32 0.00 0.00 175.29 173.89 2jll s PRO 603 N -3.80 4.20 -0.09 9.60 0.04 -1.26 -1.46 135.00 142.23 2jll s PRO 603 Ca 0.04 2.44 -0.00 0.00 0.04 0.00 0.00 61.00 63.51 2jll s PRO 603 Cb -0.01 -3.04 0.02 0.00 0.04 0.00 0.00 34.50 31.52 2jll s PRO 603 CO -0.09 -0.47 -0.07 0.45 0.04 0.00 0.00 177.00 176.87 2jll s SER 604 N 0.10 1.91 0.54 6.66 0.15 -0.95 -4.73 113.70 117.37 2jll s SER 604 Ca 0.57 -0.25 -0.21 0.00 0.70 0.00 0.00 55.95 56.75 2jll s SER 604 Cb -0.44 -0.74 -0.05 0.00 -1.71 0.00 0.00 66.02 63.08 2jll s SER 604 CO 0.52 -0.10 1.25 -0.44 1.20 0.00 0.00 173.24 175.67 2jll s SER 605 N 1.52 5.51 0.00 5.45 0.01 -1.26 -2.44 113.70 122.49 2jll s SER 605 Ca 0.01 2.50 0.00 0.00 1.31 0.00 0.00 55.95 59.77 2jll s SER 605 Cb -0.13 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.49 2jll s SER 605 CO -0.05 -1.38 0.00 0.61 0.41 0.00 0.00 173.24 172.82 2jll n GLY 606 N 0.57 -0.15 2.47 3.44 0.00 -1.26 -4.66 105.19 105.60 2jll n GLY 606 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 2jll n GLY 606 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jll n LYS 607 N -1.72 4.17 -4.16 1.61 5.02 -1.26 -4.90 118.16 116.91 2jll n LYS 607 Ca 0.00 -3.21 -0.11 0.00 -2.02 0.00 0.00 58.31 52.97 2jll n LYS 607 Cb 0.00 -2.54 -0.09 0.00 -0.02 0.00 0.00 35.03 32.38 2jll n LYS 607 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2jll s SER 608 N 0.43 0.13 -0.03 4.39 1.04 -1.02 0.00 113.70 118.64 2jll s SER 608 Ca 0.55 -1.29 -0.04 0.00 0.48 0.00 0.00 55.95 55.66 2jll s SER 608 Cb 0.22 0.40 0.01 0.00 0.10 0.00 0.00 66.02 66.75 2jll s SER 608 CO -0.12 -0.87 0.10 0.12 0.98 0.00 0.00 173.24 173.45 2jll s PHE 609 N -4.12 -0.09 -0.23 5.02 5.36 -0.31 -2.23 117.98 121.39 2jll s PHE 609 Ca 0.34 0.21 -0.04 0.00 -0.96 0.00 0.00 56.93 56.48 2jll s PHE 609 Cb 0.06 0.02 -0.01 0.00 -0.34 0.00 0.00 43.02 42.76 2jll s PHE 609 CO 0.10 -0.08 -0.03 -1.59 -1.46 0.00 0.00 175.22 172.16 2jll s LYS 610 N -0.11 3.34 -0.09 10.12 -2.85 -0.54 -1.24 119.74 128.38 2jll s LYS 610 Ca -0.02 -0.65 -0.20 0.00 -1.00 0.00 0.00 55.97 54.10 2jll s LYS 610 Cb -0.02 -3.05 -0.04 0.00 -2.06 0.00 0.00 37.83 32.67 2jll s LYS 610 CO 0.00 -0.22 0.55 -0.51 0.10 0.00 0.00 175.35 175.26 2jll s LEU 611 N 1.48 4.30 -0.12 2.77 1.43 0.14 -2.22 118.68 126.46 2jll s LEU 611 Ca 0.05 0.95 -0.04 0.00 -1.03 0.00 0.00 54.13 54.06 2jll s LEU 611 Cb -0.15 -2.82 -0.03 0.00 0.03 0.00 0.00 46.19 43.22 2jll s LEU 611 CO -0.03 -0.02 0.01 -0.44 0.23 0.00 0.00 176.35 176.11 2jll s SER 612 N 0.57 5.27 -0.23 2.29 0.01 0.75 -0.84 113.70 121.51 2jll s SER 612 Ca 0.29 0.08 -0.18 0.00 1.31 0.00 0.00 55.95 57.45 2jll s SER 612 Cb -0.16 -1.68 -0.03 0.00 0.21 0.00 0.00 66.02 64.36 2jll s SER 612 CO 0.13 0.29 0.52 -0.63 0.41 0.00 0.00 173.24 173.96 2jll s ILE 613 N -0.33 5.09 -0.59 1.44 1.01 -1.02 -2.75 121.20 124.04 2jll s ILE 613 Ca 0.07 0.93 -0.18 0.00 0.00 0.00 0.00 60.65 61.47 2jll s ILE 613 Cb -0.12 -3.84 0.11 0.00 0.01 0.00 0.00 42.46 38.62 2jll s ILE 613 CO 0.02 0.13 0.65 -0.89 0.00 0.00 0.00 174.94 174.86 2jll s THR 614 N 1.96 4.94 0.04 2.92 2.01 -0.32 -4.92 115.64 122.27 2jll s THR 614 Ca 0.23 -1.17 -0.32 0.00 0.31 0.00 0.00 61.69 60.74 2jll s THR 614 Cb -0.15 -4.45 -0.17 0.00 0.01 0.00 0.00 72.50 67.74 2jll s THR 614 CO 0.09 -1.06 0.80 0.29 -0.69 0.00 0.00 174.62 174.05 2jll n LYS 615 N 5.99 0.00 -4.55 4.92 5.02 -1.26 -4.20 118.16 124.08 2jll n LYS 615 Ca -0.10 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 55.93 2jll n LYS 615 Cb 0.42 -1.18 -0.08 0.00 -0.02 0.00 0.00 35.03 34.16 2jll n LYS 615 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2jll s GLN 616 N -0.22 1.94 -0.08 1.97 2.00 -1.26 -4.97 119.66 119.03 2jll s GLN 616 Ca 0.72 -2.18 -0.34 0.00 -2.00 0.00 0.00 55.36 51.56 2jll s GLN 616 Cb -1.02 -0.81 -0.12 0.00 0.80 0.00 0.00 33.01 31.86 2jll s GLN 616 CO 0.49 -0.41 1.86 -3.47 -0.50 0.00 0.00 175.29 173.26 2jll n ASP 617 N -1.21 3.40 -0.15 6.67 -0.08 -1.26 -4.90 116.55 119.03 2jll n ASP 617 Ca -0.08 0.98 -0.10 0.00 -1.51 0.00 0.00 54.79 54.08 2jll n ASP 617 Cb 0.66 -1.37 -0.01 0.00 2.34 0.00 0.00 41.12 42.74 2jll n ASP 617 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 2jll h ASP 618 N 8.99 0.75 0.00 1.67 3.58 -1.93 -1.67 116.42 127.82 2jll h ASP 618 Ca -0.48 -0.32 0.00 0.00 0.42 0.00 0.00 57.03 56.65 2jll h ASP 618 Cb 1.27 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 42.12 2jll h ASP 618 CO 0.95 0.90 0.00 0.61 -2.88 0.00 0.00 179.24 178.81 2jll n GLY 619 N -0.32 0.69 0.00 -0.78 0.00 -1.26 -3.72 105.19 99.80 2jll n GLY 619 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2jll n GLY 619 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jll n GLY 620 N -2.04 0.46 3.01 -0.02 0.00 -1.26 -1.24 105.19 104.10 2jll n GLY 620 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2jll n GLY 620 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jll s ALA 621 N -2.00 0.50 0.29 4.61 0.00 -1.26 -5.00 121.76 118.90 2jll s ALA 621 Ca 0.00 -0.49 -0.30 0.00 0.00 0.00 0.00 51.96 51.17 2jll s ALA 621 Cb 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 23.12 22.96 2jll s ALA 621 CO 0.00 0.04 1.46 -2.30 0.00 0.00 0.00 175.76 174.97 2jll n PRO 622 N 2.22 2.34 -2.29 0.00 -0.02 -1.26 -4.81 135.00 131.18 2jll n PRO 622 Ca -0.18 0.83 -0.42 0.00 -2.02 0.00 0.00 63.50 61.71 2jll n PRO 622 Cb 0.56 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 31.49 2jll n PRO 622 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2jll s ILE 623 N -0.30 3.69 0.00 4.25 1.01 -1.26 -4.18 121.20 124.42 2jll s ILE 623 Ca 0.63 1.20 0.00 0.00 0.00 0.00 0.00 60.65 62.48 2jll s ILE 623 Cb -0.57 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 38.14 2jll s ILE 623 CO 0.52 0.08 0.74 0.00 0.00 0.00 0.00 174.94 176.28 2jll n LEU 624 N 4.14 1.39 -3.36 2.97 -0.00 0.09 -4.37 117.00 117.85 2jll n LEU 624 Ca 0.11 -1.39 0.02 0.00 -0.00 0.00 0.00 56.01 54.75 2jll n LEU 624 Cb 0.44 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.82 2jll n LEU 624 CO 0.57 0.35 0.66 -0.70 -0.00 0.00 0.00 177.39 178.27 2jll s GLU 625 N -0.53 0.25 -0.16 1.47 2.12 -1.24 -3.16 118.70 117.45 2jll s GLU 625 Ca 0.00 0.62 -0.08 0.00 0.36 0.00 0.00 54.97 55.87 2jll s GLU 625 Cb 0.00 0.37 -0.04 0.00 0.26 0.00 0.00 34.13 34.72 2jll s GLU 625 CO 0.00 -0.09 0.10 0.71 -0.54 0.00 0.00 175.26 175.44 2jll s TYR 626 N 2.39 3.39 -0.37 5.30 2.02 0.54 -1.04 117.35 129.58 2jll s TYR 626 Ca -0.02 0.29 -0.02 0.00 -0.37 0.00 0.00 57.07 56.95 2jll s TYR 626 Cb -0.05 -2.05 0.09 0.00 -0.40 0.00 0.00 41.96 39.55 2jll s TYR 626 CO -0.17 0.38 0.14 0.42 -1.57 0.00 0.00 175.55 174.75 2jll s ILE 627 N -0.10 3.18 -0.36 2.71 1.01 0.59 -0.76 121.20 127.47 2jll s ILE 627 Ca 0.09 -1.84 -0.16 0.00 0.00 0.00 0.00 60.65 58.73 2jll s ILE 627 Cb -0.12 -3.08 -0.00 0.00 0.01 0.00 0.00 42.46 39.27 2jll s ILE 627 CO 0.01 -0.50 0.40 -0.69 0.00 0.00 0.00 174.94 174.16 2jll s VAL 628 N 1.17 5.12 -0.09 2.92 1.01 0.12 -1.56 120.40 129.10 2jll s VAL 628 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.03 2jll s VAL 628 Cb -0.22 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 2jll s VAL 628 CO -0.03 -0.19 -0.09 -0.54 0.00 0.00 0.00 175.10 174.25 2jll s LYS 629 N 2.11 2.97 -0.02 2.72 1.02 -0.08 -1.21 119.74 127.24 2jll s LYS 629 Ca 0.13 -0.59 -0.11 0.00 0.02 0.00 0.00 55.97 55.42 2jll s LYS 629 Cb -0.16 -2.62 0.01 0.00 -0.52 0.00 0.00 37.83 34.54 2jll s LYS 629 CO 0.12 0.52 0.23 1.52 -0.92 0.00 0.00 175.35 176.82 2jll s TYR 630 N -0.41 -0.11 0.00 3.18 -0.85 -0.18 0.04 117.35 119.02 2jll s TYR 630 Ca 0.06 0.17 0.00 0.00 -0.52 0.00 0.00 57.07 56.78 2jll s TYR 630 Cb -0.12 0.04 0.00 0.00 0.38 0.00 0.00 41.96 42.25 2jll s TYR 630 CO 0.02 -0.30 0.00 2.89 -1.52 0.00 0.00 175.55 176.64 2jll n ARG 631 N 1.64 0.00 -2.17 -3.49 1.85 0.08 -1.94 116.66 112.63 2jll n ARG 631 Ca -0.21 0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 56.60 2jll n ARG 631 Cb 0.56 0.00 0.02 0.00 -1.05 0.00 0.00 32.46 31.99 2jll n ARG 631 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2jll n SER 632 N -1.66 -2.77 0.00 2.89 2.88 -1.26 -1.25 113.62 112.45 2jll n SER 632 Ca 0.00 -0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.35 2jll n SER 632 Cb 0.00 -1.84 0.00 0.00 -0.75 0.00 0.00 64.21 61.62 2jll n SER 632 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2jll n GLN 638 N -1.95 0.00 -2.74 -1.46 0.00 -1.26 -4.94 117.38 105.03 2jll n GLN 638 Ca -0.05 0.00 -0.20 0.00 -0.00 0.00 0.00 57.00 56.75 2jll n GLN 638 Cb 0.54 0.00 0.03 0.00 0.00 0.00 0.00 30.24 30.81 2jll n GLN 638 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 2jll s TRP 639 N 0.00 2.80 0.02 3.69 0.51 -1.26 -5.06 118.94 119.64 2jll s TRP 639 Ca 0.00 -0.14 0.02 0.00 -2.12 0.00 0.00 56.10 53.86 2jll s TRP 639 Cb 0.00 -2.65 -0.01 0.00 -0.81 0.00 0.00 33.47 30.00 2jll s TRP 639 CO 0.00 -0.77 -0.06 -0.51 -0.51 0.00 0.00 176.95 175.09 2jll s LEU 640 N -4.66 2.13 0.49 2.99 1.43 -0.82 -4.98 118.68 115.26 2jll s LEU 640 Ca 0.57 -0.31 0.08 0.00 -1.03 0.00 0.00 54.13 53.44 2jll s LEU 640 Cb -0.10 -0.21 0.03 0.00 0.03 0.00 0.00 46.19 45.94 2jll s LEU 640 CO 0.37 -0.07 0.58 -1.61 0.23 0.00 0.00 176.35 175.85 2jll s GLU 641 N -0.82 2.51 -0.30 1.70 2.02 -1.26 -1.01 118.70 121.54 2jll s GLU 641 Ca -0.04 -1.55 -0.19 0.00 0.02 0.00 0.00 54.97 53.22 2jll s GLU 641 Cb -0.06 -2.54 0.20 0.00 0.10 0.00 0.00 34.13 31.83 2jll s GLU 641 CO 0.00 -0.49 1.31 0.21 0.02 0.00 0.00 175.26 176.30 2jll s LYS 642 N -4.39 0.06 0.05 1.61 2.20 -0.35 -4.89 119.74 114.02 2jll s LYS 642 Ca 0.53 0.09 0.09 0.00 -0.36 0.00 0.00 55.97 56.32 2jll s LYS 642 Cb -0.06 0.02 -0.03 0.00 -1.51 0.00 0.00 37.83 36.25 2jll s LYS 642 CO 0.32 -0.01 -0.25 0.15 -0.36 0.00 0.00 175.35 175.20 2jll s LYS 643 N 0.75 1.81 0.15 4.03 1.02 -1.26 0.14 119.74 126.38 2jll s LYS 643 Ca -0.04 -1.11 -0.01 0.00 0.02 0.00 0.00 55.97 54.83 2jll s LYS 643 Cb -0.03 -2.01 -0.04 0.00 -0.52 0.00 0.00 37.83 35.23 2jll s LYS 643 CO -0.12 0.51 0.08 0.54 -0.92 0.00 0.00 175.35 175.44 2jll s VAL 644 N -0.86 0.08 0.36 3.17 0.11 0.06 -4.99 120.40 118.33 2jll s VAL 644 Ca 0.13 -1.93 -0.11 0.00 -2.93 0.00 0.00 61.98 57.14 2jll s VAL 644 Cb -0.10 -2.16 -0.07 0.00 -1.53 0.00 0.00 36.38 32.52 2jll s VAL 644 CO 0.03 -0.35 0.73 -1.10 -3.33 0.00 0.00 175.10 171.08 2jll s GLN 645 N -4.08 3.82 0.26 1.54 -1.52 -1.26 -0.34 119.66 118.08 2jll s GLN 645 Ca 0.28 0.46 -0.02 0.00 -1.95 0.00 0.00 55.36 54.12 2jll s GLN 645 Cb 0.07 -2.44 0.45 0.00 -0.22 0.00 0.00 33.01 30.87 2jll s GLN 645 CO 0.04 0.06 1.83 0.78 -0.25 0.00 0.00 175.29 177.75 2jll h GLY 646 N 1.61 1.45 1.94 3.09 0.00 -1.74 -0.72 103.07 108.70 2jll h GLY 646 Ca -0.47 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.47 2jll h GLY 646 CO 0.65 0.18 0.00 1.16 0.00 0.00 0.00 176.54 178.53 2jll n ASN 647 N -4.66 0.00 -4.75 0.19 2.04 -1.26 -4.84 115.26 101.99 2jll n ASN 647 Ca 0.16 0.45 -0.32 0.00 -0.44 0.00 0.00 54.58 54.43 2jll n ASN 647 Cb 0.28 -0.47 0.09 0.00 -2.53 0.00 0.00 39.78 37.16 2jll n ASN 647 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 2jll s LYS 648 N -2.94 2.17 -0.01 -3.83 -0.14 -0.28 -4.98 119.74 109.73 2jll s LYS 648 Ca 0.05 1.38 0.11 0.00 -1.36 0.00 0.00 55.97 56.15 2jll s LYS 648 Cb 0.06 -1.87 -0.16 0.00 -1.68 0.00 0.00 37.83 34.18 2jll s LYS 648 CO 0.17 -1.74 0.25 -3.47 -0.76 0.00 0.00 175.35 169.81 2jll n ASP 649 N -3.23 2.41 -3.70 2.83 2.03 -1.26 -4.95 116.55 110.67 2jll n ASP 649 Ca 0.10 -0.06 -0.03 0.00 0.52 0.00 0.00 54.79 55.32 2jll n ASP 649 Cb 0.52 1.44 -0.01 0.00 -0.72 0.00 0.00 41.12 42.35 2jll n ASP 649 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 2jll s HIS 650 N -2.67 -0.10 -0.02 -0.67 -3.43 -1.26 -2.43 115.29 104.72 2jll s HIS 650 Ca -0.03 -0.19 -0.00 0.00 -0.80 0.00 0.00 55.06 54.04 2jll s HIS 650 Cb 0.07 0.63 0.02 0.00 -1.43 0.00 0.00 32.58 31.87 2jll s HIS 650 CO 0.44 -0.76 0.02 0.42 -2.00 0.00 0.00 174.74 172.86 2jll s ILE 651 N -3.07 -0.04 -0.32 -5.38 1.01 -0.02 -4.98 121.20 108.39 2jll s ILE 651 Ca 0.13 0.16 -0.07 0.00 0.00 0.00 0.00 60.65 60.87 2jll s ILE 651 Cb -0.01 -0.07 0.02 0.00 0.01 0.00 0.00 42.46 42.42 2jll s ILE 651 CO 0.02 0.07 0.11 -0.63 0.00 0.00 0.00 174.94 174.50 2jll s ILE 652 N 0.79 4.01 0.20 2.92 1.01 -1.26 -0.68 121.20 128.19 2jll s ILE 652 Ca -0.07 -0.88 -0.25 0.00 0.00 0.00 0.00 60.65 59.45 2jll s ILE 652 Cb -0.09 -3.17 -0.08 0.00 0.01 0.00 0.00 42.46 39.12 2jll s ILE 652 CO -0.02 -0.07 0.81 -0.76 0.00 0.00 0.00 174.94 174.90 2jll s LEU 653 N 1.47 4.55 0.28 2.97 1.43 -0.37 -4.95 118.68 124.06 2jll s LEU 653 Ca 0.01 1.69 0.02 0.00 -1.03 0.00 0.00 54.13 54.82 2jll s LEU 653 Cb -0.18 -3.45 -0.05 0.00 0.03 0.00 0.00 46.19 42.53 2jll s LEU 653 CO 0.03 0.15 0.09 -1.61 0.23 0.00 0.00 176.35 175.25 2jll s GLU 654 N -1.34 1.49 -0.90 1.70 2.02 -1.26 -1.16 118.70 119.25 2jll s GLU 654 Ca 0.39 -1.82 -0.05 0.00 0.02 0.00 0.00 54.97 53.51 2jll s GLU 654 Cb -0.22 -0.43 -0.03 0.00 0.10 0.00 0.00 34.13 33.55 2jll s GLU 654 CO 0.26 -0.27 0.78 0.72 0.02 0.00 0.00 175.26 176.77 2jll n HIS 655 N -0.54 -2.62 -4.19 1.61 8.25 -0.80 -4.94 115.22 112.00 2jll n HIS 655 Ca -0.01 0.94 -0.28 0.00 -0.26 0.00 0.00 57.72 58.12 2jll n HIS 655 Cb 0.66 -3.96 -0.04 0.00 1.12 0.00 0.00 29.99 27.77 2jll n HIS 655 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2jll s LEU 656 N -4.85 2.69 0.03 2.41 1.43 0.10 -5.03 118.68 115.46 2jll s LEU 656 Ca 0.22 -1.32 0.02 0.00 -1.03 0.00 0.00 54.13 52.02 2jll s LEU 656 Cb -0.04 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 45.01 2jll s LEU 656 CO 0.77 -0.90 0.04 -1.10 0.23 0.00 0.00 176.35 175.40 2jll s GLN 657 N -4.08 2.86 0.62 1.70 -1.52 -1.26 -4.81 119.66 113.17 2jll s GLN 657 Ca 0.28 -0.62 -0.17 0.00 -1.95 0.00 0.00 55.36 52.89 2jll s GLN 657 Cb 0.00 -2.72 -0.02 0.00 -0.22 0.00 0.00 33.01 30.05 2jll s GLN 657 CO 0.16 0.60 1.17 -1.58 -0.25 0.00 0.00 175.29 175.39 2jll s TRP 658 N -1.23 2.45 -0.35 0.91 0.52 -1.26 -3.31 118.94 116.68 2jll s TRP 658 Ca 0.24 1.54 0.00 0.00 0.02 0.00 0.00 56.10 57.90 2jll s TRP 658 Cb -0.12 -3.36 0.00 0.00 -1.15 0.00 0.00 33.47 28.84 2jll s TRP 658 CO 0.15 -2.01 0.00 2.41 0.02 0.00 0.00 176.95 177.53 2jll n THR 659 N -1.90 0.00 -3.98 2.01 -1.04 0.44 -4.94 114.28 104.86 2jll n THR 659 Ca 0.12 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.83 2jll n THR 659 Cb 0.51 -0.99 -0.05 0.00 -1.82 0.00 0.00 70.33 67.98 2jll n THR 659 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 2jll s MET 660 N -1.98 3.19 -0.05 -2.82 0.00 -1.21 -4.83 119.30 111.60 2jll s MET 660 Ca 0.00 -0.57 0.01 0.00 0.00 0.00 0.00 55.69 55.12 2jll s MET 660 Cb 0.00 -2.89 -0.03 0.00 0.00 0.00 0.00 34.83 31.91 2jll s MET 660 CO 0.00 0.58 -0.04 0.20 0.00 0.00 0.00 175.02 175.76 2jll s GLY 661 N -2.54 1.76 0.13 2.11 0.00 -1.26 0.17 107.32 107.69 2jll s GLY 661 Ca 0.32 -0.90 0.11 0.00 0.00 0.00 0.00 44.72 44.25 2jll s GLY 661 CO 0.25 -0.70 -0.26 -0.19 0.00 0.00 0.00 173.10 172.21 2jll s TYR 662 N -0.89 2.34 -0.13 1.90 2.02 0.56 -4.67 117.35 118.46 2jll s TYR 662 Ca 0.14 -0.36 -0.03 0.00 -0.37 0.00 0.00 57.07 56.45 2jll s TYR 662 Cb -0.11 -1.26 -0.03 0.00 -0.40 0.00 0.00 41.96 40.16 2jll s TYR 662 CO 0.04 0.35 -0.02 -2.00 -1.57 0.00 0.00 175.55 172.35 2jll s GLU 663 N -2.10 3.47 -0.00 -0.62 2.12 -0.38 -2.21 118.70 118.98 2jll s GLU 663 Ca 0.15 -0.47 0.01 0.00 0.36 0.00 0.00 54.97 55.01 2jll s GLU 663 Cb -0.10 -2.90 -0.00 0.00 0.26 0.00 0.00 34.13 31.39 2jll s GLU 663 CO 0.07 0.39 -0.02 0.08 -0.54 0.00 0.00 175.26 175.24 2jll s VAL 664 N -0.03 0.16 -0.06 3.70 1.01 0.12 -0.74 120.40 124.55 2jll s VAL 664 Ca 0.02 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 61.92 2jll s VAL 664 Cb -0.13 -0.14 0.01 0.00 0.00 0.00 0.00 36.38 36.12 2jll s VAL 664 CO 0.02 0.03 -0.11 -1.10 0.00 0.00 0.00 175.10 173.95 2jll s GLN 665 N -0.07 1.54 -0.07 2.72 -0.21 0.11 -0.52 119.66 123.16 2jll s GLN 665 Ca 0.00 -0.36 0.04 0.00 0.02 0.00 0.00 55.36 55.07 2jll s GLN 665 Cb -0.01 -1.30 -0.02 0.00 1.00 0.00 0.00 33.01 32.68 2jll s GLN 665 CO -0.00 0.01 -0.20 0.42 -2.12 0.00 0.00 175.29 173.40 2jll s ILE 666 N 0.71 2.53 0.03 1.08 -1.09 -0.59 -0.90 121.20 122.97 2jll s ILE 666 Ca -0.14 -0.90 0.06 0.00 -2.23 0.00 0.00 60.65 57.45 2jll s ILE 666 Cb -0.16 -1.97 -0.02 0.00 -1.58 0.00 0.00 42.46 38.73 2jll s ILE 666 CO 0.03 0.57 -0.18 -0.89 -1.23 0.00 0.00 174.94 173.24 2jll s THR 667 N -0.28 1.45 0.03 2.92 2.01 -0.60 -0.28 115.64 120.90 2jll s THR 667 Ca 0.01 -1.06 0.04 0.00 0.31 0.00 0.00 61.69 60.98 2jll s THR 667 Cb -0.13 -1.27 -0.04 0.00 0.01 0.00 0.00 72.50 71.08 2jll s THR 667 CO 0.03 0.18 -0.06 0.00 -0.69 0.00 0.00 174.62 174.07 2jll s ALA 668 N -0.75 3.04 0.02 7.40 0.00 -1.26 -0.30 121.76 129.92 2jll s ALA 668 Ca 0.06 -1.07 0.05 0.00 0.00 0.00 0.00 51.96 50.99 2jll s ALA 668 Cb -0.08 -1.10 -0.02 0.00 0.00 0.00 0.00 23.12 21.92 2jll s ALA 668 CO 0.01 0.63 -0.14 0.00 0.00 0.00 0.00 175.76 176.26 2jll s ALA 669 N -1.07 1.16 0.41 0.00 0.00 -0.20 -0.91 121.76 121.14 2jll s ALA 669 Ca 0.19 -0.74 0.05 0.00 0.00 0.00 0.00 51.96 51.46 2jll s ALA 669 Cb -0.11 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 2jll s ALA 669 CO 0.10 0.24 0.16 0.54 0.00 0.00 0.00 175.76 176.80 2jll s ASN 670 N -0.84 2.75 0.08 0.00 2.20 -0.42 -0.74 114.94 117.98 2jll s ASN 670 Ca 0.03 -1.74 0.04 0.00 -0.94 0.00 0.00 52.86 50.25 2jll s ASN 670 Cb -0.07 0.60 0.20 0.00 -2.00 0.00 0.00 41.25 39.98 2jll s ASN 670 CO 0.01 -1.00 0.98 -2.11 -2.94 0.00 0.00 177.10 172.03 2jll n ARG 671 N -0.91 0.03 -0.02 3.55 1.85 -1.26 -0.19 116.66 119.70 2jll n ARG 671 Ca -0.04 0.40 0.02 0.00 -1.00 0.00 0.00 57.85 57.23 2jll n ARG 671 Cb 0.64 -1.76 -0.14 0.00 -1.05 0.00 0.00 32.46 30.16 2jll n ARG 671 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2jll n LEU 672 N -1.53 0.23 0.00 2.89 4.77 -1.26 -5.10 117.00 117.00 2jll n LEU 672 Ca -0.00 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2jll n LEU 672 Cb 0.18 0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 2jll n LEU 672 CO 0.02 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 2jll n GLY 673 N 1.44 0.68 3.83 -0.72 0.00 0.73 -4.85 105.19 106.30 2jll n GLY 673 Ca -0.14 -1.65 -0.28 0.00 0.00 0.00 0.00 46.02 43.95 2jll n GLY 673 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jll s TYR 674 N -3.40 3.25 0.79 1.61 2.02 -1.26 -1.30 117.35 119.07 2jll s TYR 674 Ca 0.00 0.06 -0.12 0.00 -0.37 0.00 0.00 57.07 56.65 2jll s TYR 674 Cb 0.00 -1.60 0.07 0.00 -0.40 0.00 0.00 41.96 40.03 2jll s TYR 674 CO 0.00 0.53 1.16 -1.54 -1.57 0.00 0.00 175.55 174.13 2jll s SER 675 N -2.82 4.66 0.36 2.29 1.04 -0.09 -4.72 113.70 114.43 2jll s SER 675 Ca 0.31 0.82 -0.27 0.00 0.48 0.00 0.00 55.95 57.29 2jll s SER 675 Cb -0.11 -1.37 -0.09 0.00 0.10 0.00 0.00 66.02 64.55 2jll s SER 675 CO 0.24 -1.81 1.25 -1.61 0.98 0.00 0.00 173.24 172.29 2jll s GLU 676 N -5.53 4.22 0.49 4.02 0.41 -1.26 -4.75 118.70 116.30 2jll s GLU 676 Ca 0.61 2.07 -0.23 0.00 -0.41 0.00 0.00 54.97 57.02 2jll s GLU 676 Cb -0.11 -2.91 -0.06 0.00 -1.78 0.00 0.00 34.13 29.26 2jll s GLU 676 CO 0.49 -0.25 1.25 -2.14 -0.49 0.00 0.00 175.26 174.12 2jll s PRO 677 N -1.99 3.52 -0.23 0.39 0.02 -1.26 -4.27 135.00 131.18 2jll s PRO 677 Ca 0.52 1.97 -0.08 0.00 0.02 0.00 0.00 61.00 63.43 2jll s PRO 677 Cb -0.36 -2.36 -0.04 0.00 0.02 0.00 0.00 34.50 31.76 2jll s PRO 677 CO 0.47 -0.80 0.10 0.99 -0.33 0.00 0.00 177.00 177.43 2jll s THR 678 N -1.44 4.78 0.03 0.99 2.01 0.62 -4.86 115.64 117.76 2jll s THR 678 Ca 0.66 -0.02 -0.25 0.00 0.31 0.00 0.00 61.69 62.39 2jll s THR 678 Cb -0.34 -3.21 -0.05 0.00 0.01 0.00 0.00 72.50 68.91 2jll s THR 678 CO 0.40 0.37 0.76 -0.69 -0.69 0.00 0.00 174.62 174.78 2jll s VAL 679 N 1.11 4.77 -0.12 3.82 1.01 -1.26 -1.54 120.40 128.18 2jll s VAL 679 Ca 0.05 1.62 -0.10 0.00 0.00 0.00 0.00 61.98 63.55 2jll s VAL 679 Cb -0.14 -4.11 0.03 0.00 0.00 0.00 0.00 36.38 32.16 2jll s VAL 679 CO 0.04 0.35 0.32 -0.47 0.00 0.00 0.00 175.10 175.33 2jll s TYR 680 N 0.06 -0.37 0.08 5.22 6.14 0.33 -5.01 117.35 123.80 2jll s TYR 680 Ca 0.39 0.88 0.03 0.00 0.64 0.00 0.00 57.07 59.01 2jll s TYR 680 Cb -0.20 0.12 -0.03 0.00 0.42 0.00 0.00 41.96 42.27 2jll s TYR 680 CO 0.23 -0.19 -0.09 -1.83 0.64 0.00 0.00 175.55 174.31 2jll s GLU 681 N 0.39 0.73 0.13 4.97 -1.05 -1.26 0.14 118.70 122.74 2jll s GLU 681 Ca -0.02 -1.04 -0.12 0.00 -0.15 0.00 0.00 54.97 53.64 2jll s GLU 681 Cb -0.04 -0.39 0.01 0.00 -0.44 0.00 0.00 34.13 33.28 2jll s GLU 681 CO -0.02 0.05 0.31 -0.59 0.95 0.00 0.00 175.26 175.96 2jll s PHE 682 N -2.26 0.06 -0.19 4.83 -0.12 -0.94 -4.97 117.98 114.39 2jll s PHE 682 Ca 0.01 -0.44 -0.01 0.00 -0.05 0.00 0.00 56.93 56.44 2jll s PHE 682 Cb -0.04 0.08 0.01 0.00 -0.63 0.00 0.00 43.02 42.44 2jll s PHE 682 CO -0.01 -0.66 -0.13 -1.12 -0.05 0.00 0.00 175.22 173.24 2jll s SER 683 N -2.87 3.64 0.49 1.98 0.01 -1.26 -0.33 113.70 115.37 2jll s SER 683 Ca 0.07 -0.53 -0.22 0.00 1.31 0.00 0.00 55.95 56.58 2jll s SER 683 Cb 0.03 -1.59 -0.07 0.00 0.21 0.00 0.00 66.02 64.60 2jll s SER 683 CO -0.08 0.00 1.20 -0.04 0.41 0.00 0.00 173.24 174.72 2jll s MET 684 N 1.31 3.57 0.95 12.44 -1.94 0.13 -4.97 119.30 130.78 2jll s MET 684 Ca 0.04 1.84 -0.12 0.00 -1.71 0.00 0.00 55.69 55.74 2jll s MET 684 Cb -0.14 -2.31 0.16 0.00 2.01 0.00 0.00 34.83 34.55 2jll s MET 684 CO -0.08 -0.73 1.12 -2.14 -0.01 0.00 0.00 175.02 173.19 2jll s PRO 685 N -2.83 0.86 1.16 2.03 0.02 -1.26 -3.34 135.00 131.63 2jll s PRO 685 Ca 0.67 0.37 -0.14 0.00 0.02 0.00 0.00 61.00 61.91 2jll s PRO 685 Cb -0.30 -1.80 0.27 0.00 0.02 0.00 0.00 34.50 32.69 2jll s PRO 685 CO 0.36 -2.41 1.04 -2.14 -0.33 0.00 0.00 177.00 173.52 2jll s PRO 686 N -5.16 -0.85 0.22 5.54 0.02 -1.26 -0.42 135.00 133.09 2jll s PRO 686 Ca 0.64 0.57 -0.30 0.00 0.02 0.00 0.00 61.00 61.94 2jll s PRO 686 Cb -0.16 -1.58 -0.08 0.00 0.02 0.00 0.00 34.50 32.69 2jll s PRO 686 CO 0.55 -3.61 1.06 0.21 -0.33 0.00 0.00 177.00 174.88 2jll s LYS 687 N -4.73 4.67 0.53 5.54 2.20 -1.26 -4.74 119.74 121.94 2jll s LYS 687 Ca 0.68 1.69 -0.16 0.00 -0.36 0.00 0.00 55.97 57.81 2jll s LYS 687 Cb -0.21 -3.25 -0.07 0.00 -1.51 0.00 0.00 37.83 32.78 2jll s LYS 687 CO 0.61 0.22 0.99 -2.14 -0.36 0.00 0.00 175.35 174.67 2jll s PRO 688 N -0.87 3.89 0.00 4.03 0.02 -1.26 -5.14 135.00 135.67 2jll s PRO 688 Ca 0.46 0.95 0.00 0.00 0.02 0.00 0.00 61.00 62.43 2jll s PRO 688 Cb -0.29 -2.13 0.00 0.00 0.02 0.00 0.00 34.50 32.10 2jll s PRO 688 CO 0.36 -0.32 0.15 0.09 -0.33 0.00 0.00 177.00 176.95