#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4i h GLU 253 N 0.00 -0.01 -0.89 -0.78 4.81 -2.06 -3.14 114.58 112.51 3g4i h GLU 253 Ca 0.00 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.42 3g4i h GLU 253 Cb 0.00 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.31 3g4i h GLU 253 CO 0.00 0.52 0.58 -0.56 -0.73 0.00 0.00 179.01 178.82 3g4i h GLN 254 N -1.00 0.48 -0.09 1.92 -0.00 -1.99 -2.07 115.11 112.37 3g4i h GLN 254 Ca -0.00 -0.03 -0.22 0.00 -0.00 0.00 0.00 58.65 58.40 3g4i h GLN 254 Cb 0.53 -0.11 0.01 0.00 -0.00 0.00 0.00 27.48 27.92 3g4i h GLN 254 CO 0.00 0.32 -0.79 1.49 -0.00 0.00 0.00 178.83 179.85 3g4i h GLU 255 N 0.49 0.69 -0.67 0.06 4.81 -1.93 -0.87 114.58 117.15 3g4i h GLU 255 Ca 0.46 -0.63 0.03 0.00 -0.13 0.00 0.00 59.36 59.10 3g4i h GLU 255 Cb 1.03 0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.51 3g4i h GLU 255 CO -0.19 1.23 0.41 -0.44 -0.73 0.00 0.00 179.01 179.29 3g4i h ASP 256 N 0.36 0.66 -0.05 1.04 3.32 -1.41 -1.75 116.42 118.60 3g4i h ASP 256 Ca -0.07 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 3g4i h ASP 256 Cb 1.44 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.85 3g4i h ASP 256 CO 0.16 0.46 -0.00 0.58 -1.72 0.00 0.00 179.24 178.72 3g4i h VAL 257 N 0.80 1.25 -0.29 -1.35 2.07 -1.27 -2.14 116.25 115.32 3g4i h VAL 257 Ca 0.27 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 67.02 3g4i h VAL 257 Cb 0.04 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 3g4i h VAL 257 CO -0.12 0.21 0.18 0.25 0.02 0.00 0.00 177.57 178.12 3g4i h LEU 258 N -0.20 0.30 -0.82 2.57 5.85 -1.13 -1.78 115.31 120.11 3g4i h LEU 258 Ca 0.02 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.77 3g4i h LEU 258 Cb 0.34 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 3g4i h LEU 258 CO 0.00 0.22 0.52 0.00 -0.34 0.00 0.00 178.44 178.84 3g4i h ALA 259 N 1.12 1.09 -0.67 1.25 0.00 -1.32 -0.85 119.26 119.89 3g4i h ALA 259 Ca 0.11 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3g4i h ALA 259 Cb -0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3g4i h ALA 259 CO -0.04 0.32 0.28 -0.22 0.00 0.00 0.00 179.25 179.59 3g4i h LYS 260 N 0.99 0.99 -0.58 0.00 1.63 -1.02 -2.58 116.57 116.01 3g4i h LYS 260 Ca 0.34 -0.17 -0.05 0.00 -0.85 0.00 0.00 60.65 59.91 3g4i h LYS 260 Cb 0.05 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.49 3g4i h LYS 260 CO -0.13 0.82 0.17 0.93 -3.45 0.00 0.00 179.45 177.79 3g4i h GLU 261 N 0.94 0.90 0.00 1.90 4.39 -0.74 -2.81 114.58 119.17 3g4i h GLU 261 Ca 0.22 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.72 3g4i h GLU 261 Cb 0.19 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 3g4i h GLU 261 CO -0.02 0.82 0.00 1.28 -1.16 0.00 0.00 179.01 179.93 3g4i n LEU 262 N -4.41 0.59 0.31 1.33 4.77 -0.38 -1.66 117.00 117.55 3g4i n LEU 262 Ca 0.03 0.68 0.20 0.00 -0.03 0.00 0.00 56.01 56.89 3g4i n LEU 262 Cb 0.21 -0.64 0.99 0.00 -2.33 0.00 0.00 43.42 41.66 3g4i n LEU 262 CO 0.40 -0.64 1.10 -0.33 -1.33 0.00 0.00 177.39 176.59 3g4i h GLU 263 N 0.00 0.00 -0.58 3.23 5.08 -1.19 -2.43 114.58 118.69 3g4i h GLU 263 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3g4i h GLU 263 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3g4i h GLU 263 CO 0.00 0.01 0.00 -0.25 -1.00 0.00 0.00 179.01 177.77 3g4i n ASP 264 N -3.14 2.12 0.27 1.42 8.00 -0.67 -4.50 116.55 120.06 3g4i n ASP 264 Ca -0.02 -2.18 0.12 0.00 0.71 0.00 0.00 54.79 53.42 3g4i n ASP 264 Cb 0.17 -0.39 0.76 0.00 -0.02 0.00 0.00 41.12 41.64 3g4i n ASP 264 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 3g4i h VAL 265 N 1.50 0.71 -0.33 2.53 3.04 -1.63 0.41 116.25 122.47 3g4i h VAL 265 Ca 0.00 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.47 3g4i h VAL 265 Cb 0.72 1.13 0.00 0.00 -2.01 0.00 0.00 31.29 31.14 3g4i h VAL 265 CO 0.10 0.05 0.00 0.59 -1.01 0.00 0.00 177.57 177.30 3g4i n ASN 266 N -3.99 1.99 -4.43 3.17 3.02 -1.26 -4.79 115.26 108.97 3g4i n ASN 266 Ca -0.03 -1.92 -0.33 0.00 -0.03 0.00 0.00 54.58 52.27 3g4i n ASN 266 Cb 0.14 -0.22 -0.14 0.00 -0.61 0.00 0.00 39.78 38.96 3g4i n ASN 266 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3g4i s LYS 267 N -1.56 2.66 0.05 3.52 1.02 0.13 -4.88 119.74 120.69 3g4i s LYS 267 Ca 0.28 -0.73 -0.30 0.00 0.02 0.00 0.00 55.97 55.24 3g4i s LYS 267 Cb 0.15 -2.39 -0.09 0.00 -0.52 0.00 0.00 37.83 34.98 3g4i s LYS 267 CO 0.20 0.52 1.89 -0.46 -0.92 0.00 0.00 175.35 176.58 3g4i s TRP 268 N -0.45 1.62 0.00 3.18 -0.11 -1.26 -2.83 118.94 119.08 3g4i s TRP 268 Ca 0.05 -0.26 0.00 0.00 1.22 0.00 0.00 56.10 57.12 3g4i s TRP 268 Cb -0.12 -4.19 0.00 0.00 -1.50 0.00 0.00 33.47 27.66 3g4i s TRP 268 CO 0.02 -5.17 0.00 0.41 -4.62 0.00 0.00 176.95 167.59 3g4i n GLY 269 N 4.40 1.03 3.50 5.86 0.00 -1.26 -4.93 105.19 113.80 3g4i n GLY 269 Ca 0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 3g4i n GLY 269 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3g4i n LEU 270 N 0.00 0.54 -3.76 0.99 7.94 -1.13 -4.82 117.00 116.75 3g4i n LEU 270 Ca 0.00 1.09 -0.42 0.00 -1.11 0.00 0.00 56.01 55.57 3g4i n LEU 270 Cb 0.00 -1.16 0.00 0.00 0.53 0.00 0.00 43.42 42.79 3g4i n LEU 270 CO 0.00 -2.22 2.57 1.41 -1.11 0.00 0.00 177.39 178.04 3g4i n HIS 271 N -0.15 3.46 -0.03 1.96 8.25 -1.26 -4.77 115.22 122.68 3g4i n HIS 271 Ca 0.12 -2.95 -0.04 0.00 -0.26 0.00 0.00 57.72 54.59 3g4i n HIS 271 Cb 0.33 -2.47 0.18 0.00 1.12 0.00 0.00 29.99 29.15 3g4i n HIS 271 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 3g4i h VAL 272 N 3.98 1.26 -0.46 1.59 3.04 -1.98 -1.80 116.25 121.86 3g4i h VAL 272 Ca 0.54 -1.18 -0.09 0.00 -1.01 0.00 0.00 66.70 64.96 3g4i h VAL 272 Cb 0.64 1.19 -0.02 0.00 -2.01 0.00 0.00 31.29 31.09 3g4i h VAL 272 CO 1.84 0.39 -0.07 -0.26 -1.01 0.00 0.00 177.57 178.47 3g4i h PHE 273 N 0.55 0.88 -0.50 3.17 0.04 -1.97 -1.35 116.94 117.76 3g4i h PHE 273 Ca 0.09 -0.15 -0.05 0.00 2.80 0.00 0.00 57.97 60.66 3g4i h PHE 273 Cb 0.61 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.51 3g4i h PHE 273 CO 0.02 0.85 0.11 -0.09 -0.60 0.00 0.00 178.31 178.60 3g4i h ARG 274 N 0.74 0.81 -0.75 1.51 2.43 -1.86 -2.50 114.38 114.76 3g4i h ARG 274 Ca 0.13 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3g4i h ARG 274 Cb 0.55 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.96 3g4i h ARG 274 CO 0.03 0.79 0.44 0.82 -1.51 0.00 0.00 179.97 180.54 3g4i h ILE 275 N 0.70 1.22 -0.48 1.20 2.04 -1.15 0.20 117.51 121.23 3g4i h ILE 275 Ca 0.16 -0.49 0.05 0.00 1.00 0.00 0.00 64.86 65.58 3g4i h ILE 275 Cb 0.35 0.18 -0.05 0.00 -0.74 0.00 0.00 36.82 36.57 3g4i h ILE 275 CO 0.00 0.23 0.22 0.00 0.00 0.00 0.00 178.15 178.60 3g4i h ALA 276 N 1.23 0.60 0.53 1.87 0.00 -1.06 -0.26 119.26 122.17 3g4i h ALA 276 Ca 0.27 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 3g4i h ALA 276 Cb -0.02 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.75 3g4i h ALA 276 CO -0.05 -0.15 -0.25 0.93 0.00 0.00 0.00 179.25 179.73 3g4i h GLU 277 N 0.42 -0.68 0.00 0.00 5.08 -1.14 0.10 114.58 118.37 3g4i h GLU 277 Ca 0.22 0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.60 3g4i h GLU 277 Cb 0.17 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 3g4i h GLU 277 CO -0.18 -0.41 -0.12 -0.07 -1.00 0.00 0.00 179.01 177.23 3g4i h LEU 278 N -0.80 0.00 -1.38 1.33 3.38 -0.77 -2.66 115.31 114.41 3g4i h LEU 278 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3g4i h LEU 278 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3g4i h LEU 278 CO 0.12 0.12 0.00 -1.54 0.09 0.00 0.00 178.44 177.23 3g4i n SER 279 N -3.93 2.05 -2.25 -0.43 3.41 -0.13 -4.93 113.62 107.41 3g4i n SER 279 Ca -0.02 -1.82 -0.13 0.00 -0.26 0.00 0.00 58.87 56.64 3g4i n SER 279 Cb 0.21 -0.17 0.05 0.00 -0.26 0.00 0.00 64.21 64.04 3g4i n SER 279 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3g4i n GLY 280 N 1.19 0.09 3.46 5.00 0.00 -1.00 -3.42 105.19 110.50 3g4i n GLY 280 Ca 0.16 -0.16 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 3g4i n GLY 280 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3g4i n ASN 281 N -1.27 -4.20 -2.34 1.61 5.15 0.36 -4.97 115.26 109.59 3g4i n ASN 281 Ca -0.03 -0.56 -0.20 0.00 -0.60 0.00 0.00 54.58 53.19 3g4i n ASN 281 Cb 0.55 -4.96 0.02 0.00 -0.53 0.00 0.00 39.78 34.85 3g4i n ASN 281 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3g4i n ARG 282 N -4.48 3.03 -0.33 1.20 5.12 -1.22 -4.88 116.66 115.09 3g4i n ARG 282 Ca -0.13 -4.07 -0.02 0.00 -1.93 0.00 0.00 57.85 51.69 3g4i n ARG 282 Cb 0.61 -2.06 0.12 0.00 -1.16 0.00 0.00 32.46 29.97 3g4i n ARG 282 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3g4i h PRO 283 N 2.44 1.24 -0.31 5.56 0.13 -1.82 -1.06 132.00 138.18 3g4i h PRO 283 Ca 0.22 -0.11 -0.13 0.00 -0.87 0.00 0.00 66.00 65.11 3g4i h PRO 283 Cb 1.29 -0.26 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 3g4i h PRO 283 CO 0.67 0.86 -0.33 1.25 -0.23 0.00 0.00 178.00 180.22 3g4i h LEU 284 N 1.26 0.82 -0.05 1.56 5.85 -1.90 -0.84 115.31 122.01 3g4i h LEU 284 Ca 0.33 -0.48 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 3g4i h LEU 284 Cb -0.07 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.73 3g4i h LEU 284 CO -0.06 1.13 0.02 0.74 -0.34 0.00 0.00 178.44 179.93 3g4i h THR 285 N 0.53 1.13 -0.15 1.05 2.02 -1.78 -1.21 112.91 114.51 3g4i h THR 285 Ca 0.05 -0.39 -0.19 0.00 0.77 0.00 0.00 66.41 66.64 3g4i h THR 285 Cb 0.91 1.30 -0.00 0.00 -1.74 0.00 0.00 68.15 68.62 3g4i h THR 285 CO 0.08 0.11 -0.68 -0.37 0.37 0.00 0.00 175.52 175.03 3g4i h VAL 286 N -0.07 1.32 -0.15 3.16 -1.51 -1.22 -1.83 116.25 115.96 3g4i h VAL 286 Ca 0.02 -1.97 -0.12 0.00 -1.23 0.00 0.00 66.70 63.40 3g4i h VAL 286 Cb 0.16 1.95 0.00 0.00 -2.13 0.00 0.00 31.29 31.27 3g4i h VAL 286 CO -0.00 0.61 -0.37 0.40 -1.23 0.00 0.00 177.57 176.98 3g4i h ILE 287 N 0.43 1.35 -0.49 7.19 2.04 -1.18 -2.07 117.51 124.77 3g4i h ILE 287 Ca -0.02 -1.64 -0.00 0.00 1.00 0.00 0.00 64.86 64.19 3g4i h ILE 287 Cb 1.27 2.01 -0.02 0.00 -0.74 0.00 0.00 36.82 39.34 3g4i h ILE 287 CO 0.13 0.50 0.29 0.24 0.00 0.00 0.00 178.15 179.31 3g4i h MET 288 N 0.15 0.67 -0.31 2.37 2.86 -1.23 -1.05 114.93 118.38 3g4i h MET 288 Ca -0.00 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 3g4i h MET 288 Cb 0.98 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.49 3g4i h MET 288 CO 0.08 0.50 0.16 1.25 1.06 0.00 0.00 176.91 179.96 3g4i h HIS 289 N 0.65 0.44 -0.84 -0.22 -0.00 -1.36 -0.79 115.15 113.03 3g4i h HIS 289 Ca 0.18 -0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.57 3g4i h HIS 289 Cb 0.00 -0.14 -0.05 0.00 -0.00 0.00 0.00 27.41 27.22 3g4i h HIS 289 CO -0.03 0.37 0.53 1.15 -0.00 0.00 0.00 177.93 179.96 3g4i h THR 290 N 0.38 1.10 -0.35 6.26 2.02 -1.19 -1.36 112.91 119.77 3g4i h THR 290 Ca 0.11 -0.35 -0.17 0.00 0.77 0.00 0.00 66.41 66.77 3g4i h THR 290 Cb 0.09 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.50 3g4i h THR 290 CO -0.02 0.18 -0.45 0.40 0.37 0.00 0.00 175.52 176.01 3g4i h ILE 291 N 1.01 1.27 -0.75 3.11 2.04 -0.94 0.67 117.51 123.92 3g4i h ILE 291 Ca 0.35 -1.62 -0.04 0.00 1.00 0.00 0.00 64.86 64.55 3g4i h ILE 291 Cb 0.07 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 3g4i h ILE 291 CO -0.14 0.54 0.32 -0.26 0.00 0.00 0.00 178.15 178.62 3g4i h PHE 292 N 0.73 1.11 0.17 1.37 -1.00 -0.84 -0.11 116.94 118.37 3g4i h PHE 292 Ca 0.04 -0.07 -0.01 0.00 2.81 0.00 0.00 57.97 60.74 3g4i h PHE 292 Cb 1.05 -0.34 0.00 0.00 3.61 0.00 0.00 35.95 40.27 3g4i h PHE 292 CO 0.07 0.84 -0.08 1.96 -1.61 0.00 0.00 178.31 179.48 3g4i h GLN 293 N 1.06 -0.22 -0.82 1.51 4.20 -1.13 0.16 115.11 119.87 3g4i h GLN 293 Ca 0.25 0.02 0.20 0.00 0.06 0.00 0.00 58.65 59.18 3g4i h GLN 293 Cb 0.17 0.05 -0.13 0.00 0.30 0.00 0.00 27.48 27.88 3g4i h GLN 293 CO -0.03 0.05 0.22 1.49 -0.67 0.00 0.00 178.83 179.89 3g4i h GLU 294 N -0.48 0.25 -0.21 1.46 4.57 -0.63 0.27 114.58 119.80 3g4i h GLU 294 Ca -0.02 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 3g4i h GLU 294 Cb 0.37 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 3g4i h GLU 294 CO 0.04 0.16 0.00 0.54 -1.18 0.00 0.00 179.01 178.57 3g4i n ARG 295 N -5.18 1.92 -2.70 1.92 1.74 -0.07 -4.95 116.66 109.33 3g4i n ARG 295 Ca 0.18 -1.38 -0.20 0.00 -0.77 0.00 0.00 57.85 55.69 3g4i n ARG 295 Cb 0.58 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.60 3g4i n ARG 295 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3g4i n ASP 296 N 0.61 -5.25 0.19 0.55 2.03 0.08 -4.91 116.55 109.86 3g4i n ASP 296 Ca 0.17 -0.09 0.05 0.00 0.52 0.00 0.00 54.79 55.44 3g4i n ASP 296 Cb 0.40 -4.34 0.38 0.00 -0.72 0.00 0.00 41.12 36.84 3g4i n ASP 296 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3g4i h LEU 297 N -0.51 0.00 -0.32 -2.67 3.38 -0.98 -2.18 115.31 112.03 3g4i h LEU 297 Ca -0.45 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.47 3g4i h LEU 297 Cb 1.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 3g4i h LEU 297 CO 0.52 0.36 0.02 -0.07 0.09 0.00 0.00 178.44 179.37 3g4i h LEU 298 N 0.00 0.54 -0.10 1.67 4.07 -1.88 -2.12 115.31 117.49 3g4i h LEU 298 Ca -0.00 -0.29 -0.01 0.00 0.08 0.00 0.00 57.88 57.65 3g4i h LEU 298 Cb 0.78 -0.14 -0.00 0.00 1.08 0.00 0.00 40.66 42.38 3g4i h LEU 298 CO 0.05 0.69 0.00 0.50 -1.08 0.00 0.00 178.44 178.60 3g4i h LYS 299 N 0.36 0.17 -0.59 1.13 3.64 -1.86 0.56 116.57 119.98 3g4i h LYS 299 Ca 0.09 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3g4i h LYS 299 Cb 0.40 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 3g4i h LYS 299 CO 0.01 0.42 0.39 1.15 -2.27 0.00 0.00 179.45 179.14 3g4i h THR 300 N -0.10 1.15 -0.45 1.00 2.02 -1.39 -2.97 112.91 112.17 3g4i h THR 300 Ca 0.03 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.92 3g4i h THR 300 Cb 0.34 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 3g4i h THR 300 CO 0.00 0.15 0.00 0.49 0.37 0.00 0.00 175.52 176.53 3g4i n PHE 301 N -4.67 0.60 -3.80 3.16 3.72 -0.80 -4.98 117.46 110.69 3g4i n PHE 301 Ca 0.04 -0.49 -0.23 0.00 -0.05 0.00 0.00 57.45 56.72 3g4i n PHE 301 Cb 0.02 -0.02 0.01 0.00 -0.94 0.00 0.00 39.48 38.56 3g4i n PHE 301 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3g4i n LYS 302 N 0.84 -4.37 -2.96 -1.08 5.02 0.05 -4.47 118.16 111.19 3g4i n LYS 302 Ca 0.15 0.54 -0.42 0.00 -2.02 0.00 0.00 58.31 56.57 3g4i n LYS 302 Cb 0.48 -4.97 -0.05 0.00 -0.02 0.00 0.00 35.03 30.47 3g4i n LYS 302 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3g4i s ILE 303 N -3.75 4.80 0.33 -0.18 1.01 -0.38 -4.68 121.20 118.34 3g4i s ILE 303 Ca 0.04 1.11 -0.29 0.00 0.00 0.00 0.00 60.65 61.51 3g4i s ILE 303 Cb -0.02 -4.14 -0.11 0.00 0.01 0.00 0.00 42.46 38.20 3g4i s ILE 303 CO 0.84 -0.27 1.43 -2.84 0.00 0.00 0.00 174.94 174.10 3g4i s PRO 304 N 2.95 4.22 0.19 2.79 0.02 -1.26 -4.81 135.00 139.09 3g4i s PRO 304 Ca 0.32 2.41 -0.11 0.00 0.02 0.00 0.00 61.00 63.63 3g4i s PRO 304 Cb -0.14 -3.04 0.10 0.00 0.02 0.00 0.00 34.50 31.45 3g4i s PRO 304 CO 0.13 -0.41 1.79 -0.24 -0.33 0.00 0.00 177.00 177.93 3g4i h VAL 305 N 3.16 1.21 -0.45 3.83 3.04 -1.97 -1.08 116.25 124.00 3g4i h VAL 305 Ca -0.49 -0.57 -0.02 0.00 -1.01 0.00 0.00 66.70 64.61 3g4i h VAL 305 Cb 1.23 0.40 -0.02 0.00 -2.01 0.00 0.00 31.29 30.88 3g4i h VAL 305 CO 0.69 0.24 0.18 -2.24 -1.01 0.00 0.00 177.57 175.44 3g4i h ASP 306 N 0.90 0.57 -0.24 3.17 -0.00 -1.97 -1.28 116.42 117.58 3g4i h ASP 306 Ca 0.23 -0.06 -0.09 0.00 -0.00 0.00 0.00 57.03 57.11 3g4i h ASP 306 Cb 0.08 -0.15 -0.00 0.00 -0.00 0.00 0.00 39.33 39.26 3g4i h ASP 306 CO -0.03 0.51 -0.19 0.74 -0.00 0.00 0.00 179.24 180.27 3g4i h THR 307 N 0.63 1.31 -0.03 1.15 2.02 -1.60 -1.16 112.91 115.24 3g4i h THR 307 Ca 0.15 -1.33 0.02 0.00 0.77 0.00 0.00 66.41 66.02 3g4i h THR 307 Cb 0.12 1.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 3g4i h THR 307 CO -0.02 0.41 -0.06 0.25 0.37 0.00 0.00 175.52 176.48 3g4i h LEU 308 N 0.25 -0.17 -0.43 2.58 5.85 -0.84 -0.74 115.31 121.81 3g4i h LEU 308 Ca 0.04 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 3g4i h LEU 308 Cb 0.73 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 3g4i h LEU 308 CO 0.05 -0.08 0.26 0.40 -0.34 0.00 0.00 178.44 178.73 3g4i h ILE 309 N -0.09 1.14 -0.46 4.05 2.04 -1.20 -0.05 117.51 122.94 3g4i h ILE 309 Ca 0.04 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 3g4i h ILE 309 Cb 0.13 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 3g4i h ILE 309 CO -0.08 0.14 0.14 0.74 0.00 0.00 0.00 178.15 179.09 3g4i h THR 310 N 0.58 1.22 -0.30 -0.27 2.02 -1.09 -0.62 112.91 114.45 3g4i h THR 310 Ca 0.16 -0.74 -0.01 0.00 0.77 0.00 0.00 66.41 66.59 3g4i h THR 310 Cb -0.00 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 3g4i h THR 310 CO -0.03 0.27 0.17 0.22 0.37 0.00 0.00 175.52 176.52 3g4i h TYR 311 N 0.60 0.41 -0.54 3.16 3.20 -0.93 -1.22 116.97 121.65 3g4i h TYR 311 Ca 0.15 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 3g4i h TYR 311 Cb 0.26 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 3g4i h TYR 311 CO 0.01 0.34 0.26 -0.07 -1.64 0.00 0.00 178.16 177.05 3g4i h LEU 312 N 0.37 0.71 -0.74 2.82 3.38 -0.72 0.23 115.31 121.36 3g4i h LEU 312 Ca 0.11 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3g4i h LEU 312 Cb 0.06 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3g4i h LEU 312 CO -0.02 0.65 0.32 0.24 0.09 0.00 0.00 178.44 179.72 3g4i h MET 313 N 0.73 1.09 -0.05 1.13 2.86 -1.06 -0.55 114.93 119.08 3g4i h MET 313 Ca 0.19 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3g4i h MET 313 Cb 0.13 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.60 3g4i h MET 313 CO -0.02 0.88 0.03 1.15 1.06 0.00 0.00 176.91 180.00 3g4i h THR 314 N 1.06 1.06 0.05 2.22 2.02 -0.72 0.67 112.91 119.27 3g4i h THR 314 Ca 0.25 -0.16 0.01 0.00 0.77 0.00 0.00 66.41 67.27 3g4i h THR 314 Cb 0.17 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 3g4i h THR 314 CO -0.03 0.05 -0.07 0.25 0.37 0.00 0.00 175.52 176.09 3g4i h LEU 315 N 0.01 -0.20 -0.87 2.58 5.85 -0.42 -2.66 115.31 119.60 3g4i h LEU 315 Ca 0.02 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.83 3g4i h LEU 315 Cb 0.06 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.09 3g4i h LEU 315 CO -0.00 -0.11 0.54 -0.08 -0.34 0.00 0.00 178.44 178.44 3g4i h GLU 316 N -0.15 0.92 -0.03 1.25 4.81 -0.99 -0.91 114.58 119.48 3g4i h GLU 316 Ca 0.01 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3g4i h GLU 316 Cb 0.16 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.33 3g4i h GLU 316 CO -0.04 0.61 0.05 -0.44 -0.73 0.00 0.00 179.01 178.46 3g4i h ASP 317 N 0.95 0.00 -0.14 1.04 3.45 -0.59 -2.11 116.42 119.01 3g4i h ASP 317 Ca 0.40 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.86 3g4i h ASP 317 Cb 0.24 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.01 3g4i h ASP 317 CO -0.20 0.00 0.00 1.41 -1.57 0.00 0.00 179.24 178.88 3g4i n HIS 318 N -3.48 0.17 -3.02 4.55 8.25 -0.36 -4.79 115.22 116.55 3g4i n HIS 318 Ca -0.02 -0.08 -0.39 0.00 -0.26 0.00 0.00 57.72 56.96 3g4i n HIS 318 Cb 0.13 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.18 3g4i n HIS 318 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3g4i s TYR 319 N -1.83 3.88 -0.19 4.41 1.51 -0.80 -0.96 117.35 123.37 3g4i s TYR 319 Ca 0.34 1.57 -0.25 0.00 -1.01 0.00 0.00 57.07 57.72 3g4i s TYR 319 Cb 0.20 -2.74 -0.01 0.00 -0.11 0.00 0.00 41.96 39.30 3g4i s TYR 319 CO 0.30 0.49 0.82 -1.01 -1.11 0.00 0.00 175.55 175.05 3g4i s HIS 320 N -1.00 3.39 0.40 2.71 3.76 -1.26 -4.79 115.29 118.51 3g4i s HIS 320 Ca 0.35 1.22 0.26 0.00 -0.15 0.00 0.00 55.06 56.73 3g4i s HIS 320 Cb -0.22 -3.02 1.37 0.00 1.11 0.00 0.00 32.58 31.82 3g4i s HIS 320 CO 0.25 -0.28 2.05 0.00 -0.85 0.00 0.00 174.74 175.91 3g4i h ALA 321 N 7.42 1.31 -0.01 -1.40 0.00 -1.94 -2.90 119.26 121.74 3g4i h ALA 321 Ca -0.28 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3g4i h ALA 321 Cb 1.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3g4i h ALA 321 CO 0.84 0.17 -0.13 -0.40 0.00 0.00 0.00 179.25 179.73 3g4i n ASP 322 N -3.70 0.64 -4.68 0.00 5.75 -1.26 -4.84 116.55 108.45 3g4i n ASP 322 Ca -0.02 -0.71 -0.38 0.00 -0.01 0.00 0.00 54.79 53.68 3g4i n ASP 322 Cb 0.25 -0.02 -0.08 0.00 -1.03 0.00 0.00 41.12 40.24 3g4i n ASP 322 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3g4i s VAL 323 N -2.44 5.25 0.17 2.12 1.01 -1.10 -5.00 120.40 120.42 3g4i s VAL 323 Ca 0.29 0.57 -0.04 0.00 0.00 0.00 0.00 61.98 62.80 3g4i s VAL 323 Cb 0.20 -3.67 -0.09 0.00 0.00 0.00 0.00 36.38 32.82 3g4i s VAL 323 CO 0.47 0.29 1.44 0.00 0.00 0.00 0.00 175.10 177.30 3g4i h ALA 324 N 7.32 0.59 0.00 5.51 0.00 -1.88 -3.41 119.26 127.39 3g4i h ALA 324 Ca -0.37 -0.57 -0.04 0.00 0.00 0.00 0.00 54.91 53.93 3g4i h ALA 324 Cb 1.16 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3g4i h ALA 324 CO 0.71 0.72 -0.78 0.98 0.00 0.00 0.00 179.25 180.88 3g4i n TYR 325 N -3.90 0.00 -1.63 0.00 9.36 -1.26 -4.77 117.16 114.96 3g4i n TYR 325 Ca -0.04 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.76 3g4i n TYR 325 Cb 0.67 -0.34 -0.01 0.00 -0.63 0.00 0.00 39.34 39.03 3g4i n TYR 325 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3g4i n HIS 326 N -4.03 3.26 -4.09 2.98 8.25 -1.26 -4.28 115.22 116.05 3g4i n HIS 326 Ca -0.12 -2.87 -0.04 0.00 -0.26 0.00 0.00 57.72 54.43 3g4i n HIS 326 Cb 0.37 -2.47 -0.01 0.00 1.12 0.00 0.00 29.99 29.00 3g4i n HIS 326 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3g4i n ASN 327 N 5.97 1.24 0.27 0.41 0.23 -1.26 -4.50 115.26 117.61 3g4i n ASN 327 Ca 0.54 -1.35 0.11 0.00 -0.53 0.00 0.00 54.58 53.35 3g4i n ASN 327 Cb 0.37 0.15 0.74 0.00 -2.08 0.00 0.00 39.78 38.95 3g4i n ASN 327 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 3g4i h ASN 328 N 0.25 0.00 -0.20 0.53 -1.07 -1.86 -2.24 115.58 110.99 3g4i h ASN 328 Ca -0.05 0.00 -0.16 0.00 0.07 0.00 0.00 56.30 56.16 3g4i h ASN 328 Cb 0.20 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.45 3g4i h ASN 328 CO 0.09 0.08 -0.48 0.40 0.07 0.00 0.00 177.43 177.59 3g4i h ILE 329 N 0.00 1.32 -0.57 6.14 2.04 -1.96 -1.23 117.51 123.25 3g4i h ILE 329 Ca -0.00 -1.71 0.00 0.00 1.00 0.00 0.00 64.86 64.15 3g4i h ILE 329 Cb 0.19 1.88 -0.03 0.00 -0.74 0.00 0.00 36.82 38.12 3g4i h ILE 329 CO 0.01 0.54 0.37 -0.74 0.00 0.00 0.00 178.15 178.33 3g4i h HIS 330 N 0.37 0.72 -0.26 1.37 2.76 -1.64 -1.35 115.15 117.12 3g4i h HIS 330 Ca -0.00 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.19 3g4i h HIS 330 Cb 1.10 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.80 3g4i h HIS 330 CO 0.09 0.46 0.15 0.00 -1.30 0.00 0.00 177.93 177.33 3g4i h ALA 331 N 1.21 0.33 -0.89 5.26 0.00 -1.33 -0.18 119.26 123.66 3g4i h ALA 331 Ca 0.21 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.16 3g4i h ALA 331 Cb -0.08 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 3g4i h ALA 331 CO -0.04 -0.23 0.57 0.00 0.00 0.00 0.00 179.25 179.54 3g4i h ALA 332 N 1.12 1.19 -0.26 0.00 0.00 -1.07 -0.89 119.26 119.35 3g4i h ALA 332 Ca 0.10 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3g4i h ALA 332 Cb -0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3g4i h ALA 332 CO -0.05 0.39 -0.04 0.22 0.00 0.00 0.00 179.25 179.77 3g4i h ASP 333 N 1.08 0.48 -0.66 0.00 3.58 -0.65 -1.18 116.42 119.06 3g4i h ASP 333 Ca 0.36 -0.35 -0.07 0.00 0.42 0.00 0.00 57.03 57.40 3g4i h ASP 333 Cb 0.06 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 40.95 3g4i h ASP 333 CO -0.14 0.71 0.15 0.58 -2.88 0.00 0.00 179.24 177.67 3g4i h VAL 334 N 0.24 1.26 -0.20 2.25 2.07 -0.78 -0.00 116.25 121.09 3g4i h VAL 334 Ca 0.07 -0.96 0.02 0.00 0.82 0.00 0.00 66.70 66.65 3g4i h VAL 334 Cb 0.49 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3g4i h VAL 334 CO 0.02 0.37 0.05 0.58 0.02 0.00 0.00 177.57 178.60 3g4i h VAL 335 N 0.99 0.92 -0.19 2.57 2.07 -1.03 -0.06 116.25 121.52 3g4i h VAL 335 Ca 0.21 -0.04 -0.16 0.00 0.82 0.00 0.00 66.70 67.52 3g4i h VAL 335 Cb 0.38 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3g4i h VAL 335 CO 0.00 0.02 -0.53 -0.61 0.02 0.00 0.00 177.57 176.48 3g4i h GLN 336 N 0.13 0.56 -0.41 1.57 -0.00 -0.92 -1.27 115.11 114.77 3g4i h GLN 336 Ca 0.09 -0.35 -0.06 0.00 -0.00 0.00 0.00 58.65 58.34 3g4i h GLN 336 Cb 0.08 0.04 -0.02 0.00 0.00 0.00 0.00 27.48 27.58 3g4i h GLN 336 CO -0.11 0.95 0.04 0.77 0.00 0.00 0.00 178.83 180.48 3g4i h SER 337 N 0.44 0.68 -0.66 -0.69 0.02 -0.82 -1.10 113.55 111.42 3g4i h SER 337 Ca 0.01 -0.28 0.02 0.00 -0.84 0.00 0.00 61.79 60.71 3g4i h SER 337 Cb 1.07 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 63.39 3g4i h SER 337 CO 0.10 0.79 0.42 0.74 -1.14 0.00 0.00 176.83 177.73 3g4i h THR 338 N 0.55 1.10 -0.72 -2.27 2.02 -0.90 -1.46 112.91 111.23 3g4i h THR 338 Ca 0.12 -0.28 0.05 0.00 0.77 0.00 0.00 66.41 67.07 3g4i h THR 338 Cb 0.41 0.21 -0.05 0.00 -1.74 0.00 0.00 68.15 66.97 3g4i h THR 338 CO 0.01 0.15 0.43 -0.74 0.37 0.00 0.00 175.52 175.74 3g4i h HIS 339 N 0.82 0.79 -0.26 3.16 -0.00 -0.93 -0.01 115.15 118.72 3g4i h HIS 339 Ca 0.26 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.63 3g4i h HIS 339 Cb -0.00 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.15 3g4i h HIS 339 CO -0.04 0.40 0.04 0.28 -0.00 0.00 0.00 177.93 178.61 3g4i h VAL 340 N 0.79 1.23 -0.50 5.26 2.07 -0.92 -3.22 116.25 120.96 3g4i h VAL 340 Ca 0.31 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 3g4i h VAL 340 Cb 0.15 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 3g4i h VAL 340 CO -0.16 0.25 0.26 -0.07 0.02 0.00 0.00 177.57 177.87 3g4i h LEU 341 N 0.24 0.61 -1.90 2.57 3.38 -0.68 -2.17 115.31 117.36 3g4i h LEU 341 Ca 0.08 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3g4i h LEU 341 Cb 0.33 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3g4i h LEU 341 CO 0.01 0.50 -0.12 -0.07 0.09 0.00 0.00 178.44 178.85 3g4i h LEU 342 N 0.69 0.00 -1.29 1.67 3.38 -1.02 -2.58 115.31 116.15 3g4i h LEU 342 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3g4i h LEU 342 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3g4i h LEU 342 CO -0.03 0.12 0.00 -1.20 0.09 0.00 0.00 178.44 177.42 3g4i n SER 343 N -4.02 1.90 -4.73 -0.43 7.64 -0.82 -4.80 113.62 108.36 3g4i n SER 343 Ca -0.02 -1.89 -0.42 0.00 1.01 0.00 0.00 58.87 57.55 3g4i n SER 343 Cb 0.21 -0.19 -0.03 0.00 -1.01 0.00 0.00 64.21 63.19 3g4i n SER 343 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3g4i s THR 344 N -1.61 2.10 0.33 0.44 -1.32 -0.98 -4.88 115.64 109.71 3g4i s THR 344 Ca 0.28 0.07 0.10 0.00 -1.21 0.00 0.00 61.69 60.94 3g4i s THR 344 Cb 0.15 -3.05 0.33 0.00 -1.51 0.00 0.00 72.50 68.42 3g4i s THR 344 CO 0.21 0.01 1.64 -0.65 -2.21 0.00 0.00 174.62 173.62 3g4i h PRO 345 N 6.14 0.23 0.00 7.08 0.11 -1.92 -0.65 132.00 142.99 3g4i h PRO 345 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3g4i h PRO 345 Cb 1.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3g4i h PRO 345 CO 0.90 0.15 0.00 0.00 -0.21 0.00 0.00 178.00 178.84 3g4i n ALA 346 N -2.47 1.43 -0.46 -0.75 0.00 -1.26 -1.69 120.51 115.30 3g4i n ALA 346 Ca 0.29 0.08 0.06 0.00 0.00 0.00 0.00 53.44 53.87 3g4i n ALA 346 Cb 0.91 -1.30 0.18 0.00 0.00 0.00 0.00 19.45 19.24 3g4i n ALA 346 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3g4i n LEU 347 N -2.03 3.20 -4.72 0.00 4.77 -0.25 -0.29 117.00 117.66 3g4i n LEU 347 Ca 0.01 -2.37 -0.42 0.00 -0.03 0.00 0.00 56.01 53.20 3g4i n LEU 347 Cb 0.14 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 40.88 3g4i n LEU 347 CO 0.14 0.70 1.31 1.21 -1.33 0.00 0.00 177.39 179.42 3g4i n GLU 348 N 0.07 2.71 -1.28 3.23 2.13 -0.68 -1.40 120.64 125.42 3g4i n GLU 348 Ca 0.14 0.97 -0.12 0.00 0.66 0.00 0.00 57.16 58.82 3g4i n GLU 348 Cb 0.58 -2.79 -0.05 0.00 0.27 0.00 0.00 31.44 29.45 3g4i n GLU 348 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3g4i n ALA 349 N 3.25 -0.18 -0.04 4.31 0.00 -1.26 -4.88 120.51 121.71 3g4i n ALA 349 Ca 0.13 0.19 -0.12 0.00 0.00 0.00 0.00 53.44 53.64 3g4i n ALA 349 Cb 0.35 -1.55 -0.11 0.00 0.00 0.00 0.00 19.45 18.14 3g4i n ALA 349 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3g4i h VAL 350 N 0.00 1.45 -3.10 0.00 2.07 -1.59 -3.47 116.25 111.62 3g4i h VAL 350 Ca -0.24 -1.87 -0.59 0.00 0.82 0.00 0.00 66.70 64.82 3g4i h VAL 350 Cb 1.01 2.64 -0.04 0.00 -1.52 0.00 0.00 31.29 33.37 3g4i h VAL 350 CO 0.35 0.45 -0.30 -0.36 0.02 0.00 0.00 177.57 177.73 3g4i s PHE 351 N -2.64 3.53 0.77 1.57 0.08 -1.26 -5.04 117.98 114.99 3g4i s PHE 351 Ca -0.16 0.64 -0.11 0.00 0.12 0.00 0.00 56.93 57.42 3g4i s PHE 351 Cb -0.02 -2.05 0.05 0.00 -0.57 0.00 0.00 43.02 40.44 3g4i s PHE 351 CO 0.60 0.50 1.09 0.95 -0.10 0.00 0.00 175.22 178.25 3g4i s THR 352 N -1.50 3.29 0.39 0.64 -4.23 -1.26 -4.85 115.64 108.12 3g4i s THR 352 Ca 0.36 0.42 0.06 0.00 -1.18 0.00 0.00 61.69 61.34 3g4i s THR 352 Cb -0.13 -3.17 0.27 0.00 1.34 0.00 0.00 72.50 70.82 3g4i s THR 352 CO 0.21 -0.55 2.03 0.44 -0.54 0.00 0.00 174.62 176.22 3g4i h ASP 353 N -1.00 0.56 -0.51 3.99 3.32 -1.99 -1.12 116.42 119.67 3g4i h ASP 353 Ca -0.46 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.46 3g4i h ASP 353 Cb 1.25 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.65 3g4i h ASP 353 CO 0.59 0.40 -0.12 0.25 -1.72 0.00 0.00 179.24 178.63 3g4i h LEU 354 N 0.65 0.99 -0.71 1.55 5.85 -1.99 0.12 115.31 121.77 3g4i h LEU 354 Ca 0.19 -0.36 -0.09 0.00 0.84 0.00 0.00 57.88 58.47 3g4i h LEU 354 Cb -0.02 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 3g4i h LEU 354 CO -0.05 1.12 0.03 -0.33 -0.34 0.00 0.00 178.44 178.87 3g4i h GLU 355 N 0.84 1.02 -0.10 1.25 5.08 -1.81 -0.46 114.58 120.39 3g4i h GLU 355 Ca 0.13 -0.30 0.01 0.00 -1.00 0.00 0.00 59.36 58.20 3g4i h GLU 355 Cb 0.69 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3g4i h GLU 355 CO 0.05 0.98 0.02 0.82 -1.00 0.00 0.00 179.01 179.88 3g4i h ILE 356 N 0.94 0.96 -0.68 3.13 2.04 -1.03 -1.60 117.51 121.26 3g4i h ILE 356 Ca 0.17 -0.02 0.02 0.00 1.00 0.00 0.00 64.86 66.04 3g4i h ILE 356 Cb 0.50 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 3g4i h ILE 356 CO 0.02 0.01 0.44 0.25 0.00 0.00 0.00 178.15 178.87 3g4i h LEU 357 N 0.06 0.73 -0.36 1.44 5.85 -0.58 -2.05 115.31 120.40 3g4i h LEU 357 Ca 0.04 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.79 3g4i h LEU 357 Cb 0.03 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 3g4i h LEU 357 CO -0.06 0.51 0.17 0.00 -0.34 0.00 0.00 178.44 178.73 3g4i h ALA 358 N 1.28 0.44 -0.32 1.25 0.00 -0.85 0.75 119.26 121.81 3g4i h ALA 358 Ca 0.27 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.06 3g4i h ALA 358 Cb -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3g4i h ALA 358 CO -0.09 -0.20 -0.37 0.00 0.00 0.00 0.00 179.25 178.59 3g4i h ALA 359 N 1.20 0.76 -0.10 0.00 0.00 -1.00 -0.03 119.26 120.09 3g4i h ALA 359 Ca 0.16 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 3g4i h ALA 359 Cb 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3g4i h ALA 359 CO -0.12 0.66 -0.30 0.82 0.00 0.00 0.00 179.25 180.31 3g4i h ILE 360 N 0.60 1.40 -0.49 0.00 2.04 -1.25 -2.12 117.51 117.69 3g4i h ILE 360 Ca 0.06 -1.64 -0.01 0.00 1.00 0.00 0.00 64.86 64.27 3g4i h ILE 360 Cb 0.90 2.19 -0.02 0.00 -0.74 0.00 0.00 36.82 39.15 3g4i h ILE 360 CO 0.08 0.48 0.28 0.15 0.00 0.00 0.00 178.15 179.14 3g4i h PHE 361 N -0.08 0.66 -0.57 1.37 3.57 -0.83 -1.33 116.94 119.73 3g4i h PHE 361 Ca -0.01 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.54 3g4i h PHE 361 Cb 0.92 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 39.40 3g4i h PHE 361 CO 0.12 0.48 0.28 0.00 -2.23 0.00 0.00 178.31 176.95 3g4i h ALA 362 N 1.12 0.74 -0.79 2.41 0.00 -1.04 -1.73 119.26 119.97 3g4i h ALA 362 Ca 0.17 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.12 3g4i h ALA 362 Cb 0.03 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3g4i h ALA 362 CO -0.03 -0.07 0.51 0.77 0.00 0.00 0.00 179.25 180.43 3g4i h SER 363 N 0.53 0.92 -0.53 0.00 0.02 -1.09 -1.46 113.55 111.94 3g4i h SER 363 Ca 0.26 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 3g4i h SER 363 Cb 0.19 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 3g4i h SER 363 CO -0.19 0.68 0.25 0.00 -1.14 0.00 0.00 176.83 176.43 3g4i h ALA 364 N 1.28 0.69 -0.02 3.77 0.00 -0.71 -3.22 119.26 121.05 3g4i h ALA 364 Ca 0.29 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3g4i h ALA 364 Cb -0.11 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.47 3g4i h ALA 364 CO -0.06 0.25 -0.15 0.44 0.00 0.00 0.00 179.25 179.73 3g4i n ILE 365 N -4.58 0.00 0.28 0.00 -5.35 -0.70 -4.66 119.36 104.36 3g4i n ILE 365 Ca 0.02 -0.26 0.17 0.00 -0.27 0.00 0.00 62.75 62.42 3g4i n ILE 365 Cb 0.12 0.74 0.76 0.00 -1.74 0.00 0.00 39.64 39.52 3g4i n ILE 365 CO 0.00 0.00 0.00 1.12 -1.76 0.00 0.00 176.55 175.91 3g4i h HIS 366 N 2.40 0.00 0.00 4.28 2.07 -1.28 -2.24 115.15 120.39 3g4i h HIS 366 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3g4i h HIS 366 Cb 0.62 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.60 3g4i h HIS 366 CO 0.00 0.03 -0.06 -0.25 -3.07 0.00 0.00 177.93 174.59 3g4i n ASP 367 N -3.17 2.06 -4.75 3.10 8.00 -1.26 -4.83 116.55 115.70 3g4i n ASP 367 Ca -0.00 -2.92 -0.41 0.00 0.71 0.00 0.00 54.79 52.16 3g4i n ASP 367 Cb 0.27 -0.39 -0.02 0.00 -0.02 0.00 0.00 41.12 40.96 3g4i n ASP 367 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3g4i s VAL 368 N -2.48 2.18 -1.22 2.53 0.11 -0.84 -2.06 120.40 118.62 3g4i s VAL 368 Ca 0.27 0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.47 3g4i s VAL 368 Cb 0.24 -3.10 0.00 0.00 -1.53 0.00 0.00 36.38 31.99 3g4i s VAL 368 CO 0.03 0.02 0.00 -0.67 -3.33 0.00 0.00 175.10 171.15 3g4i n ASP 369 N 2.30 -4.29 -4.71 3.54 2.03 -0.13 -4.35 116.55 110.94 3g4i n ASP 369 Ca 0.08 0.08 -0.42 0.00 0.52 0.00 0.00 54.79 55.05 3g4i n ASP 369 Cb 0.38 -3.34 -0.03 0.00 -0.72 0.00 0.00 41.12 37.41 3g4i n ASP 369 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 3g4i s HIS 370 N -2.63 2.83 -1.61 -0.67 2.46 -0.87 -4.91 115.29 109.89 3g4i s HIS 370 Ca 0.00 0.55 0.30 0.00 0.47 0.00 0.00 55.06 56.38 3g4i s HIS 370 Cb 0.00 -3.90 1.46 0.00 -0.13 0.00 0.00 32.58 30.01 3g4i s HIS 370 CO 0.00 -3.44 2.00 -0.35 -2.47 0.00 0.00 174.74 170.48 3g4i n PRO 371 N 4.64 0.63 -0.69 2.88 -0.04 -1.26 -4.56 135.00 136.59 3g4i n PRO 371 Ca 0.14 -0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 3g4i n PRO 371 Cb 0.40 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 3g4i n PRO 371 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3g4i n GLY 372 N 1.24 0.65 3.26 0.55 0.00 -1.26 -4.99 105.19 104.64 3g4i n GLY 372 Ca 0.16 -0.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.99 3g4i n GLY 372 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3g4i s VAL 373 N -2.00 1.30 0.73 1.61 -7.23 -1.26 -4.71 120.40 108.83 3g4i s VAL 373 Ca 0.00 -1.99 -0.11 0.00 -1.81 0.00 0.00 61.98 58.07 3g4i s VAL 373 Cb 0.00 -1.78 0.03 0.00 0.56 0.00 0.00 36.38 35.19 3g4i s VAL 373 CO 0.00 -0.63 1.08 -0.94 -0.31 0.00 0.00 175.10 174.30 3g4i s SER 374 N -2.99 5.16 0.25 4.85 1.04 -1.26 -4.90 113.70 115.86 3g4i s SER 374 Ca 0.15 1.33 -0.03 0.00 0.48 0.00 0.00 55.95 57.89 3g4i s SER 374 Cb -0.00 -2.16 0.47 0.00 0.10 0.00 0.00 66.02 64.43 3g4i s SER 374 CO 0.02 -1.54 1.76 0.78 0.98 0.00 0.00 173.24 175.24 3g4i h ASN 375 N -0.79 0.49 -0.40 7.02 2.35 -2.01 -2.34 115.58 119.90 3g4i h ASN 375 Ca -0.45 0.08 -0.06 0.00 -0.55 0.00 0.00 56.30 55.32 3g4i h ASN 375 Cb 1.24 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.60 3g4i h ASN 375 CO 0.60 0.23 0.06 -0.61 -1.65 0.00 0.00 177.43 176.07 3g4i h GLN 376 N 0.61 0.74 -0.28 0.81 5.75 -1.97 0.51 115.11 121.27 3g4i h GLN 376 Ca 0.43 -0.16 -0.01 0.00 -0.15 0.00 0.00 58.65 58.75 3g4i h GLN 376 Cb 0.57 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.00 3g4i h GLN 376 CO -0.34 0.71 0.13 0.35 -2.65 0.00 0.00 178.83 177.03 3g4i h PHE 377 N 0.71 0.42 -0.71 3.99 3.04 -1.81 0.94 116.94 123.51 3g4i h PHE 377 Ca 0.15 -0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.05 3g4i h PHE 377 Cb 0.34 -0.13 -0.03 0.00 2.56 0.00 0.00 35.95 38.69 3g4i h PHE 377 CO 0.02 0.40 0.35 -0.07 -2.02 0.00 0.00 178.31 176.99 3g4i h LEU 378 N 0.32 0.90 -0.03 0.59 3.38 -0.92 -2.02 115.31 117.53 3g4i h LEU 378 Ca 0.10 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3g4i h LEU 378 Cb 0.14 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 3g4i h LEU 378 CO -0.01 0.75 -0.01 0.40 0.09 0.00 0.00 178.44 179.67 3g4i h ILE 379 N 1.00 1.29 0.00 1.22 2.04 -0.69 -2.07 117.51 120.31 3g4i h ILE 379 Ca 0.25 -0.89 -0.05 0.00 1.00 0.00 0.00 64.86 65.17 3g4i h ILE 379 Cb 0.08 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 3g4i h ILE 379 CO -0.03 0.24 -0.24 0.78 0.00 0.00 0.00 178.15 178.89 3g4i h ASN 380 N -0.31 0.00 0.10 1.72 2.35 -0.64 -2.14 115.58 116.66 3g4i h ASN 380 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3g4i h ASN 380 Cb 0.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 3g4i h ASN 380 CO 0.00 0.24 -0.03 0.35 -1.65 0.00 0.00 177.43 176.34 3g4i n THR 381 N -4.09 0.00 -3.38 2.81 -2.24 -0.78 -4.93 114.28 101.66 3g4i n THR 381 Ca -0.02 -0.10 -0.22 0.00 -2.27 0.00 0.00 64.05 61.44 3g4i n THR 381 Cb 0.31 -0.04 0.06 0.00 -2.10 0.00 0.00 70.33 68.57 3g4i n THR 381 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3g4i n ASN 382 N -0.58 -5.98 -4.74 3.42 3.02 -0.81 -4.95 115.26 104.65 3g4i n ASN 382 Ca 0.20 -0.44 -0.36 0.00 -0.03 0.00 0.00 54.58 53.95 3g4i n ASN 382 Cb 0.24 -4.64 0.06 0.00 -0.61 0.00 0.00 39.78 34.84 3g4i n ASN 382 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3g4i s SER 383 N -3.17 4.69 0.28 6.41 1.04 -0.78 -4.82 113.70 117.34 3g4i s SER 383 Ca 0.48 2.45 0.01 0.00 0.48 0.00 0.00 55.95 59.37 3g4i s SER 383 Cb -0.21 -2.60 0.56 0.00 0.10 0.00 0.00 66.02 63.87 3g4i s SER 383 CO 0.60 -1.94 1.81 -0.08 0.98 0.00 0.00 173.24 174.61 3g4i h GLU 384 N 0.39 0.85 -0.29 4.02 4.81 -1.92 -1.58 114.58 120.85 3g4i h GLU 384 Ca -0.50 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 58.68 3g4i h GLU 384 Cb 1.31 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 3g4i h GLU 384 CO 0.53 0.56 0.17 -0.07 -0.73 0.00 0.00 179.01 179.47 3g4i h LEU 385 N 0.87 0.35 -1.11 1.64 3.38 -1.93 -1.25 115.31 117.27 3g4i h LEU 385 Ca 0.49 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.38 3g4i h LEU 385 Cb 0.57 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3g4i h LEU 385 CO -0.30 0.30 0.25 0.00 0.09 0.00 0.00 178.44 178.79 3g4i h ALA 386 N 1.06 1.30 -0.58 1.53 0.00 -1.70 -1.93 119.26 118.94 3g4i h ALA 386 Ca 0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3g4i h ALA 386 Cb 0.02 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3g4i h ALA 386 CO -0.02 0.52 0.20 1.25 0.00 0.00 0.00 179.25 181.21 3g4i h LEU 387 N 0.87 0.83 -0.68 0.00 5.85 -1.00 -1.07 115.31 120.11 3g4i h LEU 387 Ca 0.21 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 3g4i h LEU 387 Cb 0.15 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 3g4i h LEU 387 CO -0.02 0.80 0.29 -0.03 -0.34 0.00 0.00 178.44 179.14 3g4i h MET 388 N 0.81 1.00 -0.57 1.25 4.05 -0.81 -3.21 114.93 117.45 3g4i h MET 388 Ca 0.19 -0.17 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 3g4i h MET 388 Cb 0.25 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 3g4i h MET 388 CO -0.01 0.82 0.00 0.66 0.23 0.00 0.00 176.91 178.61 3g4i n TYR 389 N -4.41 1.38 -3.94 1.39 4.02 -0.76 -4.97 117.16 109.86 3g4i n TYR 389 Ca 0.05 -0.64 -0.30 0.00 -0.01 0.00 0.00 57.90 57.00 3g4i n TYR 389 Cb 0.16 -0.25 0.02 0.00 -0.02 0.00 0.00 39.34 39.24 3g4i n TYR 389 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3g4i n ASN 390 N 0.86 -3.93 -0.65 7.72 3.02 -0.49 -2.16 115.26 119.63 3g4i n ASN 390 Ca 0.24 -0.83 -0.08 0.00 -0.03 0.00 0.00 54.58 53.88 3g4i n ASN 390 Cb 0.87 -3.68 -0.03 0.00 -0.61 0.00 0.00 39.78 36.33 3g4i n ASN 390 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3g4i n ASP 391 N -2.84 -5.46 -4.18 6.41 8.00 -0.71 -4.93 116.55 112.85 3g4i n ASP 391 Ca -0.01 0.20 -0.34 0.00 0.71 0.00 0.00 54.79 55.35 3g4i n ASP 391 Cb 0.55 -3.85 -0.14 0.00 -0.02 0.00 0.00 41.12 37.65 3g4i n ASP 391 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3g4i s SER 392 N -2.21 4.30 -1.43 -2.24 0.01 -0.92 -4.63 113.70 106.58 3g4i s SER 392 Ca 0.00 -0.96 -0.10 0.00 1.31 0.00 0.00 55.95 56.20 3g4i s SER 392 Cb 0.00 -1.64 0.01 0.00 0.21 0.00 0.00 66.02 64.60 3g4i s SER 392 CO 0.00 -0.14 0.19 -1.20 0.41 0.00 0.00 173.24 172.51 3g4i n SER 393 N 4.63 -0.50 0.30 2.44 7.64 -1.26 -4.82 113.62 122.05 3g4i n SER 393 Ca -0.16 -1.27 -0.17 0.00 1.01 0.00 0.00 58.87 58.28 3g4i n SER 393 Cb 0.46 -1.56 -0.08 0.00 -1.01 0.00 0.00 64.21 62.02 3g4i n SER 393 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3g4i h VAL 394 N -1.98 0.26 -0.39 0.44 2.07 -1.87 0.11 116.25 114.90 3g4i h VAL 394 Ca -0.66 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 3g4i h VAL 394 Cb 1.38 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 3g4i h VAL 394 CO 0.64 0.00 0.17 -0.07 0.02 0.00 0.00 177.57 178.33 3g4i h LEU 395 N -0.84 0.53 -0.55 2.57 3.38 -1.95 -2.07 115.31 116.37 3g4i h LEU 395 Ca -0.06 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 3g4i h LEU 395 Cb 0.71 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3g4i h LEU 395 CO 0.03 0.53 0.23 -0.33 0.09 0.00 0.00 178.44 178.99 3g4i h GLU 396 N 0.48 0.81 -0.77 1.13 3.07 -1.86 0.25 114.58 117.69 3g4i h GLU 396 Ca 0.13 -0.14 0.08 0.00 -0.50 0.00 0.00 59.36 58.93 3g4i h GLU 396 Cb 0.16 -0.13 -0.07 0.00 -0.84 0.00 0.00 28.75 27.87 3g4i h GLU 396 CO -0.01 0.70 0.43 -0.91 -1.40 0.00 0.00 179.01 177.82 3g4i h ASN 397 N 0.74 0.63 -0.38 1.42 2.35 -0.92 -2.56 115.58 116.85 3g4i h ASN 397 Ca 0.18 0.04 -0.12 0.00 -0.55 0.00 0.00 56.30 55.85 3g4i h ASN 397 Cb 0.19 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 3g4i h ASN 397 CO -0.02 0.37 -0.24 -0.74 -1.65 0.00 0.00 177.43 175.15 3g4i h HIS 398 N 0.75 0.98 -0.49 1.19 2.76 -0.45 -1.76 115.15 118.13 3g4i h HIS 398 Ca 0.37 -0.26 0.05 0.00 -2.20 0.00 0.00 60.37 58.33 3g4i h HIS 398 Cb 0.31 -0.22 -0.05 0.00 1.55 0.00 0.00 27.41 29.00 3g4i h HIS 398 CO -0.07 1.04 0.21 0.45 -1.30 0.00 0.00 177.93 178.26 3g4i h HIS 399 N 0.64 0.38 0.35 5.26 3.86 -0.43 -0.69 115.15 124.52 3g4i h HIS 399 Ca 0.08 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 3g4i h HIS 399 Cb 0.81 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 29.18 3g4i h HIS 399 CO 0.06 0.16 -0.19 -0.07 0.86 0.00 0.00 177.93 178.75 3g4i h LEU 400 N 0.42 -0.47 -0.70 2.43 3.38 -1.36 0.09 115.31 119.10 3g4i h LEU 400 Ca 0.23 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.27 3g4i h LEU 400 Cb 0.19 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 3g4i h LEU 400 CO -0.20 -0.32 0.42 0.00 0.09 0.00 0.00 178.44 178.44 3g4i h ALA 401 N 0.13 0.94 -0.07 1.53 0.00 -0.95 -1.50 119.26 119.34 3g4i h ALA 401 Ca -0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3g4i h ALA 401 Cb 0.41 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3g4i h ALA 401 CO 0.06 0.15 -0.01 0.28 0.00 0.00 0.00 179.25 179.73 3g4i h VAL 402 N 0.79 1.27 -0.66 0.00 2.07 -1.10 -0.23 116.25 118.41 3g4i h VAL 402 Ca 0.30 -0.85 0.12 0.00 0.82 0.00 0.00 66.70 67.09 3g4i h VAL 402 Cb 0.11 1.71 -0.09 0.00 -1.52 0.00 0.00 31.29 31.50 3g4i h VAL 402 CO -0.15 0.24 0.18 1.23 0.02 0.00 0.00 177.57 179.09 3g4i h GLY 403 N -0.19 0.90 0.91 2.17 0.00 -0.53 -1.40 103.07 104.94 3g4i h GLY 403 Ca 0.02 -0.07 -0.14 0.00 0.00 0.00 0.00 47.33 47.15 3g4i h GLY 403 CO 0.00 -0.11 -0.43 0.74 0.00 0.00 0.00 176.54 176.74 3g4i h PHE 404 N 0.32 0.75 -0.58 5.60 0.04 -1.29 -3.28 116.94 118.49 3g4i h PHE 404 Ca 0.35 -0.29 0.02 0.00 2.80 0.00 0.00 57.97 60.85 3g4i h PHE 404 Cb 0.53 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.52 3g4i h PHE 404 CO -0.22 1.05 0.38 0.87 -0.60 0.00 0.00 178.31 179.79 3g4i h LYS 405 N 0.23 0.70 0.00 1.51 1.57 -0.64 -2.05 116.57 117.89 3g4i h LYS 405 Ca -0.01 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3g4i h LYS 405 Cb 1.05 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.20 3g4i h LYS 405 CO 0.09 0.46 0.00 -0.07 -0.57 0.00 0.00 179.45 179.37 3g4i h LEU 406 N 0.72 0.00 -2.63 2.94 3.38 -1.32 -1.33 115.31 117.07 3g4i h LEU 406 Ca 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 3g4i h LEU 406 Cb 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3g4i h LEU 406 CO -0.06 0.00 -0.01 -0.07 0.09 0.00 0.00 178.44 178.39 3g4i h LEU 407 N 0.00 0.00 -0.07 1.67 3.38 -1.50 -2.72 115.31 116.08 3g4i h LEU 407 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3g4i h LEU 407 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3g4i h LEU 407 CO 0.00 0.01 -0.31 0.00 0.09 0.00 0.00 178.44 178.23 3g4i n GLN 408 N -3.24 0.16 -1.19 1.13 6.02 -0.50 -2.45 117.38 117.30 3g4i n GLN 408 Ca -0.02 -0.07 -0.29 0.00 -0.01 0.00 0.00 57.00 56.60 3g4i n GLN 408 Cb 0.12 -1.50 0.20 0.00 1.02 0.00 0.00 30.24 30.08 3g4i n GLN 408 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3g4i s GLU 409 N -2.89 -0.15 0.01 -1.09 2.02 -1.03 -4.87 118.70 110.71 3g4i s GLU 409 Ca 0.15 0.24 -0.30 0.00 0.02 0.00 0.00 54.97 55.08 3g4i s GLU 409 Cb 0.18 -1.69 -0.08 0.00 0.10 0.00 0.00 34.13 32.64 3g4i s GLU 409 CO 0.61 -3.06 1.82 -2.00 0.02 0.00 0.00 175.26 172.66 3g4i s GLU 410 N -5.18 4.16 -1.38 1.61 2.56 -1.26 -2.40 118.70 116.81 3g4i s GLU 410 Ca 0.68 2.44 -0.10 0.00 0.00 0.00 0.00 54.97 57.99 3g4i s GLU 410 Cb -0.15 -4.01 0.02 0.00 2.00 0.00 0.00 34.13 31.99 3g4i s GLU 410 CO 0.57 -0.89 1.17 -1.71 -0.56 0.00 0.00 175.26 173.83 3g4i n ASN 411 N 7.09 -6.23 -0.30 -1.70 5.15 -1.26 -4.92 115.26 113.09 3g4i n ASN 411 Ca 0.18 -0.57 0.04 0.00 -0.60 0.00 0.00 54.58 53.64 3g4i n ASN 411 Cb 0.41 -4.91 0.03 0.00 -0.53 0.00 0.00 39.78 34.78 3g4i n ASN 411 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3g4i s ASP 413 N -0.66 6.67 0.32 0.00 2.15 -1.03 -4.53 116.67 119.60 3g4i s ASP 413 Ca 0.09 -2.04 0.25 0.00 0.43 0.00 0.00 52.55 51.27 3g4i s ASP 413 Cb 0.06 -2.47 1.12 0.00 -0.30 0.00 0.00 42.92 41.33 3g4i s ASP 413 CO 0.10 -1.16 1.75 0.16 -0.17 0.00 0.00 175.17 175.85 3g4i h ILE 414 N 5.92 0.00 -0.65 4.11 3.07 -1.86 -2.66 117.51 125.45 3g4i h ILE 414 Ca 0.22 -0.19 0.00 0.00 1.55 0.00 0.00 64.86 66.43 3g4i h ILE 414 Cb 0.98 0.90 0.00 0.00 -0.27 0.00 0.00 36.82 38.43 3g4i h ILE 414 CO 1.25 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 178.84 3g4i n PHE 415 N -2.35 1.45 0.28 0.16 3.72 -1.26 -4.67 117.46 114.79 3g4i n PHE 415 Ca 0.01 -0.61 0.13 0.00 -0.05 0.00 0.00 57.45 56.93 3g4i n PHE 415 Cb 0.18 -0.23 0.82 0.00 -0.94 0.00 0.00 39.48 39.31 3g4i n PHE 415 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 3g4i h GLN 416 N 4.08 0.00 -0.30 -1.08 3.07 -1.84 -2.14 115.11 116.90 3g4i h GLN 416 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3g4i h GLN 416 Cb 1.43 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.99 3g4i h GLN 416 CO 0.22 0.03 0.00 0.09 0.09 0.00 0.00 178.83 179.25 3g4i n ASN 417 N -3.98 3.02 -4.77 0.06 3.02 -1.26 -4.94 115.26 106.41 3g4i n ASN 417 Ca -0.03 -1.88 -0.36 0.00 -0.03 0.00 0.00 54.58 52.28 3g4i n ASN 417 Cb 0.11 -0.19 -0.00 0.00 -0.61 0.00 0.00 39.78 39.09 3g4i n ASN 417 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3g4i s LEU 418 N -1.25 3.85 0.92 3.41 1.02 -0.81 -4.93 118.68 120.89 3g4i s LEU 418 Ca 0.30 2.21 -0.12 0.00 0.02 0.00 0.00 54.13 56.54 3g4i s LEU 418 Cb 0.17 -4.46 0.14 0.00 0.02 0.00 0.00 46.19 42.07 3g4i s LEU 418 CO 0.24 -1.09 1.10 0.42 0.02 0.00 0.00 176.35 177.04 3g4i s THR 419 N -1.69 2.38 0.18 5.49 -4.23 -1.26 -4.83 115.64 111.68 3g4i s THR 419 Ca 0.69 0.12 -0.13 0.00 -1.18 0.00 0.00 61.69 61.20 3g4i s THR 419 Cb -0.25 -2.71 0.08 0.00 1.34 0.00 0.00 72.50 70.96 3g4i s THR 419 CO 0.29 -0.16 1.79 0.50 -0.54 0.00 0.00 174.62 176.51 3g4i h LYS 420 N -1.58 0.82 -0.34 3.99 3.64 -1.98 -0.56 116.57 120.56 3g4i h LYS 420 Ca -0.51 -0.09 0.01 0.00 -1.27 0.00 0.00 60.65 58.79 3g4i h LYS 420 Cb 1.31 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 3g4i h LYS 420 CO 0.58 0.62 0.20 -0.22 -2.27 0.00 0.00 179.45 178.36 3g4i h LYS 421 N 0.80 0.39 -0.73 1.90 3.64 -1.99 -0.62 116.57 119.96 3g4i h LYS 421 Ca 0.21 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.58 3g4i h LYS 421 Cb 0.03 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.72 3g4i h LYS 421 CO -0.03 0.26 0.48 1.96 -2.27 0.00 0.00 179.45 179.84 3g4i h GLN 422 N 0.40 0.94 -0.37 1.90 4.20 -1.83 -1.12 115.11 119.23 3g4i h GLN 422 Ca 0.13 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 3g4i h GLN 422 Cb 0.00 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.55 3g4i h GLN 422 CO -0.06 0.62 0.18 0.00 -0.67 0.00 0.00 178.83 178.90 3g4i h ARG 423 N 0.97 0.52 -0.52 1.46 3.08 -0.91 0.74 114.38 119.72 3g4i h ARG 423 Ca 0.27 -0.07 0.05 0.00 0.07 0.00 0.00 59.98 60.30 3g4i h ARG 423 Cb -0.08 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 29.82 3g4i h ARG 423 CO -0.07 0.45 0.26 1.96 -1.07 0.00 0.00 179.97 181.50 3g4i h GLN 424 N 0.46 0.48 -0.12 0.04 4.20 -0.82 -0.21 115.11 119.14 3g4i h GLN 424 Ca 0.13 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 3g4i h GLN 424 Cb 0.10 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.77 3g4i h GLN 424 CO -0.02 0.32 -0.03 1.03 -0.67 0.00 0.00 178.83 179.46 3g4i h SER 425 N 0.50 0.23 -0.17 1.46 0.87 -0.95 -2.14 113.55 113.35 3g4i h SER 425 Ca 0.23 -0.38 0.03 0.00 -1.23 0.00 0.00 61.79 60.45 3g4i h SER 425 Cb 0.15 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.02 3g4i h SER 425 CO -0.17 0.55 -0.02 0.25 -0.53 0.00 0.00 176.83 176.91 3g4i h LEU 426 N -0.10 -0.11 -0.17 2.23 7.12 -0.77 -2.02 115.31 121.49 3g4i h LEU 426 Ca 0.03 0.04 0.04 0.00 0.13 0.00 0.00 57.88 58.13 3g4i h LEU 426 Cb 0.45 0.09 -0.05 0.00 -0.53 0.00 0.00 40.66 40.62 3g4i h LEU 426 CO 0.01 -0.03 -0.12 -0.09 -0.13 0.00 0.00 178.44 178.08 3g4i h ARG 427 N 0.03 -0.12 -0.64 1.25 2.43 -0.98 -0.32 114.38 116.02 3g4i h ARG 427 Ca 0.08 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.28 3g4i h ARG 427 Cb 0.11 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 3g4i h ARG 427 CO -0.16 -0.08 0.40 -0.22 -1.51 0.00 0.00 179.97 178.41 3g4i h LYS 428 N -0.13 0.78 -0.46 0.20 3.64 -1.20 -1.34 116.57 118.07 3g4i h LYS 428 Ca 0.10 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 3g4i h LYS 428 Cb 0.28 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 3g4i h LYS 428 CO -0.25 0.52 0.10 0.52 -2.27 0.00 0.00 179.45 178.07 3g4i h MET 429 N 0.80 0.74 -0.13 1.90 2.86 -0.93 -1.13 114.93 119.05 3g4i h MET 429 Ca 0.25 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 3g4i h MET 429 Cb -0.02 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 3g4i h MET 429 CO -0.09 0.74 0.06 0.28 1.06 0.00 0.00 176.91 178.96 3g4i h VAL 430 N 0.62 1.14 -0.20 -2.22 2.07 -0.85 -1.28 116.25 115.53 3g4i h VAL 430 Ca 0.14 -0.40 0.05 0.00 0.82 0.00 0.00 66.70 67.32 3g4i h VAL 430 Cb 0.34 1.16 -0.06 0.00 -1.52 0.00 0.00 31.29 31.21 3g4i h VAL 430 CO 0.00 0.12 -0.18 0.40 0.02 0.00 0.00 177.57 177.94 3g4i h ILE 431 N 0.07 0.52 -0.89 4.57 2.04 -1.17 -1.42 117.51 121.23 3g4i h ILE 431 Ca 0.04 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.96 3g4i h ILE 431 Cb 0.14 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 36.69 3g4i h ILE 431 CO -0.00 0.00 0.58 0.44 0.00 0.00 0.00 178.15 179.16 3g4i h ASP 432 N -0.19 0.91 -0.03 1.72 3.45 -0.88 -1.86 116.42 119.54 3g4i h ASP 432 Ca 0.12 -0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.55 3g4i h ASP 432 Cb 0.37 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 38.94 3g4i h ASP 432 CO -0.31 0.60 -0.10 0.40 -1.57 0.00 0.00 179.24 178.26 3g4i h ILE 433 N 1.05 1.48 -0.42 0.35 2.04 -0.88 -3.17 117.51 117.95 3g4i h ILE 433 Ca 0.37 -1.56 -0.12 0.00 1.00 0.00 0.00 64.86 64.55 3g4i h ILE 433 Cb 0.13 2.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 3g4i h ILE 433 CO -0.13 0.42 -0.20 0.58 0.00 0.00 0.00 178.15 178.82 3g4i h VAL 434 N -0.46 1.27 -0.08 1.67 2.07 -1.14 -2.45 116.25 117.13 3g4i h VAL 434 Ca -0.00 -1.33 -0.04 0.00 0.82 0.00 0.00 66.70 66.15 3g4i h VAL 434 Cb 0.74 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 3g4i h VAL 434 CO 0.02 0.45 -0.12 -0.07 0.02 0.00 0.00 177.57 177.87 3g4i h LEU 435 N 0.73 0.12 0.00 2.57 3.38 -1.46 -1.60 115.31 119.05 3g4i h LEU 435 Ca 0.10 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3g4i h LEU 435 Cb 0.73 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3g4i h LEU 435 CO 0.06 0.25 0.00 0.00 0.09 0.00 0.00 178.44 178.84 3g4i n ALA 436 N -2.50 2.03 0.94 1.53 0.00 -0.93 -2.81 120.51 118.78 3g4i n ALA 436 Ca -0.01 -0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.46 3g4i n ALA 436 Cb 0.23 -1.32 0.43 0.00 0.00 0.00 0.00 19.45 18.78 3g4i n ALA 436 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3g4i n THR 437 N -1.31 0.07 -1.68 0.00 -2.24 -0.60 -4.81 114.28 103.72 3g4i n THR 437 Ca 0.09 -0.04 -0.42 0.00 -2.27 0.00 0.00 64.05 61.41 3g4i n THR 437 Cb 0.17 -0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.17 3g4i n THR 437 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3g4i s ASP 438 N -3.21 6.42 0.46 3.42 -1.08 -1.12 -4.87 116.67 116.69 3g4i s ASP 438 Ca 0.12 2.73 0.21 0.00 -0.52 0.00 0.00 52.55 55.09 3g4i s ASP 438 Cb 0.17 -2.55 1.11 0.00 -1.46 0.00 0.00 42.92 40.19 3g4i s ASP 438 CO 0.61 -1.04 1.96 0.24 0.52 0.00 0.00 175.17 177.46 3g4i h MET 439 N 9.68 0.00 0.00 4.34 2.86 -1.92 -1.30 114.93 128.60 3g4i h MET 439 Ca -0.48 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.16 3g4i h MET 439 Cb 1.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.89 3g4i h MET 439 CO 0.94 0.22 0.01 0.66 1.06 0.00 0.00 176.91 179.80 3g4i h SER 440 N 0.00 0.00 0.01 1.22 4.64 -1.97 -0.12 113.55 117.34 3g4i h SER 440 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3g4i h SER 440 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3g4i h SER 440 CO 0.03 0.00 -0.08 0.29 -0.87 0.00 0.00 176.83 176.20 3g4i n LYS 441 N -2.50 1.72 0.01 4.77 5.02 -0.49 -4.66 118.16 122.03 3g4i n LYS 441 Ca -0.02 -1.21 -0.11 0.00 -2.02 0.00 0.00 58.31 54.95 3g4i n LYS 441 Cb 0.05 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.53 3g4i n LYS 441 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3g4i h HIS 442 N 2.95 0.07 -1.00 2.13 2.76 -1.13 -2.14 115.15 118.79 3g4i h HIS 442 Ca 0.00 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.21 3g4i h HIS 442 Cb 0.68 -0.02 -0.06 0.00 1.55 0.00 0.00 27.41 29.56 3g4i h HIS 442 CO 0.00 0.04 0.66 0.52 -1.30 0.00 0.00 177.93 177.85 3g4i h MET 443 N 0.08 1.24 -0.06 5.26 2.86 -1.83 -1.17 114.93 121.32 3g4i h MET 443 Ca 0.03 -0.07 -0.19 0.00 -2.06 0.00 0.00 59.70 57.41 3g4i h MET 443 Cb 0.00 -0.28 -0.00 0.00 0.06 0.00 0.00 31.60 31.38 3g4i h MET 443 CO -0.02 0.82 -0.77 -0.91 1.06 0.00 0.00 176.91 177.09 3g4i h ASN 444 N 1.28 0.46 -0.31 1.22 2.35 -1.84 -0.94 115.58 117.79 3g4i h ASN 444 Ca 0.40 -0.31 0.02 0.00 -0.55 0.00 0.00 56.30 55.86 3g4i h ASN 444 Cb -0.01 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.20 3g4i h ASN 444 CO -0.12 1.06 0.15 -0.07 -1.65 0.00 0.00 177.43 176.80 3g4i h LEU 445 N 0.25 0.21 -0.15 1.61 3.38 -1.03 -2.34 115.31 117.23 3g4i h LEU 445 Ca -0.04 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3g4i h LEU 445 Cb 1.35 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 3g4i h LEU 445 CO 0.13 0.16 0.00 0.25 0.09 0.00 0.00 178.44 179.07 3g4i h LEU 446 N 0.31 0.26 -0.54 1.67 5.85 -1.15 -1.30 115.31 120.40 3g4i h LEU 446 Ca 0.13 -0.31 0.11 0.00 0.84 0.00 0.00 57.88 58.65 3g4i h LEU 446 Cb 0.06 -0.07 -0.09 0.00 0.37 0.00 0.00 40.66 40.92 3g4i h LEU 446 CO -0.10 0.51 -0.03 0.00 -0.34 0.00 0.00 178.44 178.48 3g4i h ALA 447 N 0.76 0.49 -0.15 1.25 0.00 -1.17 0.99 119.26 121.42 3g4i h ALA 447 Ca 0.04 0.17 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 3g4i h ALA 447 Cb 0.37 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3g4i h ALA 447 CO 0.01 -0.40 -0.33 -0.44 0.00 0.00 0.00 179.25 178.09 3g4i h ASP 448 N 0.09 0.31 -0.47 0.00 5.19 -1.35 -2.20 116.42 117.98 3g4i h ASP 448 Ca 0.27 -0.11 -0.10 0.00 -0.62 0.00 0.00 57.03 56.47 3g4i h ASP 448 Cb 0.43 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.84 3g4i h ASP 448 CO -0.48 0.63 -0.09 0.25 -3.12 0.00 0.00 179.24 176.43 3g4i h LEU 449 N 0.27 0.90 -0.01 1.55 5.85 0.02 -1.96 115.31 121.93 3g4i h LEU 449 Ca 0.03 -0.35 0.01 0.00 0.84 0.00 0.00 57.88 58.42 3g4i h LEU 449 Cb 0.71 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 3g4i h LEU 449 CO 0.05 1.04 -0.07 0.11 -0.34 0.00 0.00 178.44 179.24 3g4i h LYS 450 N 0.75 -0.11 -0.92 1.25 1.57 -0.69 -1.14 116.57 117.28 3g4i h LYS 450 Ca 0.12 0.01 0.15 0.00 -1.87 0.00 0.00 60.65 59.06 3g4i h LYS 450 Cb 0.64 0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.88 3g4i h LYS 450 CO 0.04 -0.07 0.53 1.15 -0.57 0.00 0.00 179.45 180.53 3g4i h THR 451 N -0.11 0.79 -0.55 -0.16 2.02 -1.28 -0.66 112.91 112.95 3g4i h THR 451 Ca 0.03 -0.26 -0.10 0.00 0.77 0.00 0.00 66.41 66.84 3g4i h THR 451 Cb 0.15 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.50 3g4i h THR 451 CO -0.07 0.14 -0.06 -0.03 0.37 0.00 0.00 175.52 175.87 3g4i h MET 452 N 0.76 1.01 -0.36 6.66 1.85 -1.03 -2.75 114.93 121.07 3g4i h MET 452 Ca 0.50 -0.35 -0.06 0.00 -0.61 0.00 0.00 59.70 59.17 3g4i h MET 452 Cb 0.65 -0.08 -0.02 0.00 0.43 0.00 0.00 31.60 32.59 3g4i h MET 452 CO -0.33 1.04 -0.03 0.28 -0.40 0.00 0.00 176.91 177.47 3g4i h VAL 453 N 0.89 1.22 -0.68 -5.77 2.07 0.10 -1.57 116.25 112.50 3g4i h VAL 453 Ca 0.15 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 3g4i h VAL 453 Cb 0.62 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 3g4i h VAL 453 CO 0.04 0.30 0.35 -0.33 0.02 0.00 0.00 177.57 177.95 3g4i h GLU 454 N 0.55 0.97 -0.67 1.57 5.08 -1.00 -2.89 114.58 118.20 3g4i h GLU 454 Ca 0.11 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 3g4i h GLU 454 Cb 0.40 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 3g4i h GLU 454 CO 0.02 0.76 0.09 2.41 -1.00 0.00 0.00 179.01 181.28 3g4i n THR 455 N -4.47 2.65 -1.68 1.13 -1.04 -1.05 -5.01 114.28 104.80 3g4i n THR 455 Ca 0.05 -1.37 -0.45 0.00 -2.04 0.00 0.00 64.05 60.24 3g4i n THR 455 Cb 0.11 -0.33 -0.04 0.00 -1.82 0.00 0.00 70.33 68.26 3g4i n THR 455 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3g4i n LYS 456 N 0.35 2.31 -4.52 -2.82 4.81 -0.62 -5.02 118.16 112.65 3g4i n LYS 456 Ca 0.30 0.83 -0.31 0.00 -0.87 0.00 0.00 58.31 58.27 3g4i n LYS 456 Cb 1.20 -2.61 -0.12 0.00 0.02 0.00 0.00 35.03 33.53 3g4i n LYS 456 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3g4i s LYS 457 N 0.75 2.12 -0.26 1.64 1.02 -1.26 -5.08 119.74 118.67 3g4i s LYS 457 Ca 0.76 -0.97 -0.14 0.00 0.02 0.00 0.00 55.97 55.64 3g4i s LYS 457 Cb -0.63 -2.25 0.08 0.00 -0.52 0.00 0.00 37.83 34.52 3g4i s LYS 457 CO 0.38 0.54 0.63 0.54 -0.92 0.00 0.00 175.35 176.53 3g4i s VAL 458 N -1.01 -0.08 1.26 3.17 0.11 -1.26 -1.43 120.40 121.16 3g4i s VAL 458 Ca 0.16 0.02 -0.18 0.00 -2.93 0.00 0.00 61.98 59.05 3g4i s VAL 458 Cb -0.11 -0.93 0.31 0.00 -1.53 0.00 0.00 36.38 34.13 3g4i s VAL 458 CO 0.07 0.01 1.01 0.28 -3.33 0.00 0.00 175.10 173.14 3g4i s THR 459 N 1.69 1.61 0.48 5.04 -1.32 -0.86 -4.82 115.64 117.47 3g4i s THR 459 Ca -0.10 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 60.66 3g4i s THR 459 Cb -0.06 -2.19 0.31 0.00 -1.51 0.00 0.00 72.50 69.04 3g4i s THR 459 CO -0.19 0.00 2.14 0.28 -2.21 0.00 0.00 174.62 174.64 3g4i h SER 460 N -2.88 0.00 0.58 8.08 0.02 -2.02 -1.24 113.55 116.08 3g4i h SER 460 Ca -0.51 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.40 3g4i h SER 460 Cb 1.33 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.87 3g4i h SER 460 CO 0.40 0.08 -0.17 -1.28 -1.14 0.00 0.00 176.83 174.72 3g4i h SER 461 N 0.00 0.00 0.00 3.07 0.87 -2.04 -3.46 113.55 111.98 3g4i h SER 461 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3g4i h SER 461 Cb 0.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 3g4i h SER 461 CO 0.01 0.17 0.00 0.61 -0.53 0.00 0.00 176.83 177.09 3g4i n GLY 462 N -0.35 0.42 3.80 5.77 0.00 -0.47 -5.08 105.19 109.27 3g4i n GLY 462 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 3g4i n GLY 462 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g4i s VAL 463 N -2.00 4.38 0.54 1.61 1.01 -1.26 -4.78 120.40 119.90 3g4i s VAL 463 Ca 0.00 1.56 -0.21 0.00 0.00 0.00 0.00 61.98 63.33 3g4i s VAL 463 Cb 0.00 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 3g4i s VAL 463 CO 0.00 0.11 1.25 -0.22 0.00 0.00 0.00 175.10 176.24 3g4i s LEU 464 N -2.18 3.82 -0.31 3.92 2.96 0.60 -2.02 118.68 125.46 3g4i s LEU 464 Ca 0.49 2.51 -0.02 0.00 -0.22 0.00 0.00 54.13 56.89 3g4i s LEU 464 Cb -0.17 -4.39 0.06 0.00 0.50 0.00 0.00 46.19 42.19 3g4i s LEU 464 CO 0.21 -1.42 0.03 -0.22 -1.32 0.00 0.00 176.35 173.63 3g4i s LEU 465 N -3.61 4.08 -0.28 -0.68 2.96 -0.52 -4.82 118.68 115.81 3g4i s LEU 465 Ca 0.72 -1.36 0.01 0.00 -0.22 0.00 0.00 54.13 53.28 3g4i s LEU 465 Cb -0.34 -1.73 0.06 0.00 0.50 0.00 0.00 46.19 44.68 3g4i s LEU 465 CO 0.39 -0.30 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.30 3g4i s LEU 466 N 1.24 3.68 -0.04 -0.68 1.43 -1.26 -4.59 118.68 118.46 3g4i s LEU 466 Ca -0.03 -1.38 -0.14 0.00 -1.03 0.00 0.00 54.13 51.55 3g4i s LEU 466 Cb -0.20 -1.62 -0.31 0.00 0.03 0.00 0.00 46.19 44.09 3g4i s LEU 466 CO -0.01 -0.23 0.73 0.44 0.23 0.00 0.00 176.35 177.51 3g4i h ASP 467 N 7.86 0.62 -3.42 2.29 3.45 -1.98 -3.45 116.42 121.79 3g4i h ASP 467 Ca -0.19 -0.92 -0.49 0.00 0.43 0.00 0.00 57.03 55.86 3g4i h ASP 467 Cb 1.05 -0.20 -0.14 0.00 -0.56 0.00 0.00 39.33 39.48 3g4i h ASP 467 CO 0.49 1.72 -0.57 0.54 -1.57 0.00 0.00 179.24 179.85 3g4i s ASN 468 N -7.30 2.33 0.23 6.45 4.22 -1.26 -5.04 114.94 114.58 3g4i s ASN 468 Ca -0.15 -1.50 -0.08 0.00 -2.14 0.00 0.00 52.86 49.00 3g4i s ASN 468 Cb 0.05 0.19 0.22 0.00 1.28 0.00 0.00 41.25 42.99 3g4i s ASN 468 CO 0.86 -0.76 1.91 0.22 -2.04 0.00 0.00 177.10 177.29 3g4i h TYR 469 N 2.03 1.15 -0.32 1.54 3.20 -1.98 -1.67 116.97 120.90 3g4i h TYR 469 Ca -0.38 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.56 3g4i h TYR 469 Cb 1.26 -0.39 -0.04 0.00 1.54 0.00 0.00 36.73 39.10 3g4i h TYR 469 CO 0.93 0.73 0.08 1.03 -1.64 0.00 0.00 178.16 179.28 3g4i h SER 470 N 1.23 0.04 -0.24 -2.11 0.87 -1.98 0.25 113.55 111.61 3g4i h SER 470 Ca 0.33 0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.89 3g4i h SER 470 Cb -0.13 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 3g4i h SER 470 CO -0.07 0.06 -0.05 0.44 -0.53 0.00 0.00 176.83 176.68 3g4i h ASP 471 N 0.20 0.46 -0.21 6.23 3.32 -1.92 -1.56 116.42 122.94 3g4i h ASP 471 Ca 0.15 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.84 3g4i h ASP 471 Cb 0.15 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3g4i h ASP 471 CO -0.19 0.72 0.14 0.03 -1.72 0.00 0.00 179.24 178.22 3g4i h ARG 472 N 0.20 0.27 -0.02 3.56 3.08 -1.00 -2.18 114.38 118.28 3g4i h ARG 472 Ca 0.06 -0.02 -0.15 0.00 0.07 0.00 0.00 59.98 59.95 3g4i h ARG 472 Cb 0.51 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 3g4i h ARG 472 CO 0.02 0.18 -0.66 0.97 -1.07 0.00 0.00 179.97 179.41 3g4i h ILE 473 N 0.28 1.44 -0.64 2.04 6.09 -0.57 -2.34 117.51 123.81 3g4i h ILE 473 Ca 0.08 -2.18 -0.03 0.00 -1.37 0.00 0.00 64.86 61.35 3g4i h ILE 473 Cb -0.03 2.16 -0.03 0.00 0.47 0.00 0.00 36.82 39.39 3g4i h ILE 473 CO -0.02 0.63 0.28 -0.61 -3.07 0.00 0.00 178.15 175.37 3g4i h GLN 474 N 0.07 0.94 -0.55 2.19 4.15 -1.15 0.13 115.11 120.88 3g4i h GLN 474 Ca -0.01 -0.15 -0.09 0.00 0.77 0.00 0.00 58.65 59.16 3g4i h GLN 474 Cb 1.17 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.68 3g4i h GLN 474 CO 0.09 0.77 -0.02 0.28 -1.93 0.00 0.00 178.83 178.03 3g4i h VAL 475 N 0.89 1.27 -0.55 2.39 2.07 -1.23 -1.86 116.25 119.22 3g4i h VAL 475 Ca 0.22 -1.14 -0.10 0.00 0.82 0.00 0.00 66.70 66.50 3g4i h VAL 475 Cb 0.16 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 3g4i h VAL 475 CO -0.02 0.41 -0.04 -0.07 0.02 0.00 0.00 177.57 177.86 3g4i h LEU 476 N 0.86 0.99 -0.23 2.57 3.38 -1.15 0.08 115.31 121.82 3g4i h LEU 476 Ca 0.15 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.81 3g4i h LEU 476 Cb 0.56 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3g4i h LEU 476 CO 0.03 1.08 0.11 1.56 0.09 0.00 0.00 178.44 181.32 3g4i h GLN 477 N 0.88 0.24 -0.25 1.13 4.20 -0.65 -2.08 115.11 118.58 3g4i h GLN 477 Ca 0.15 -0.01 -0.12 0.00 0.06 0.00 0.00 58.65 58.72 3g4i h GLN 477 Cb 0.60 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 3g4i h GLN 477 CO 0.04 0.16 -0.36 -0.91 -0.67 0.00 0.00 178.83 177.08 3g4i h ASN 478 N 0.24 0.57 0.03 1.46 2.35 -1.24 -1.50 115.58 117.49 3g4i h ASN 478 Ca 0.09 -0.24 0.02 0.00 -0.55 0.00 0.00 56.30 55.63 3g4i h ASN 478 Cb 0.02 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.21 3g4i h ASN 478 CO -0.06 0.89 -0.16 -0.03 -1.65 0.00 0.00 177.43 176.42 3g4i h MET 479 N 0.46 -0.26 -0.12 0.81 4.05 -0.73 0.22 114.93 119.36 3g4i h MET 479 Ca 0.05 0.02 -0.17 0.00 -0.28 0.00 0.00 59.70 59.31 3g4i h MET 479 Cb 0.85 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.70 3g4i h MET 479 CO 0.07 -0.17 -0.65 0.28 0.23 0.00 0.00 176.91 176.67 3g4i h VAL 480 N -0.27 1.35 -0.60 -5.77 2.07 -1.36 -0.15 116.25 111.52 3g4i h VAL 480 Ca 0.04 -1.98 0.04 0.00 0.82 0.00 0.00 66.70 65.63 3g4i h VAL 480 Cb 0.32 1.96 -0.04 0.00 -1.52 0.00 0.00 31.29 32.01 3g4i h VAL 480 CO -0.13 0.60 0.35 -0.74 0.02 0.00 0.00 177.57 177.67 3g4i h HIS 481 N 0.33 0.64 -0.43 1.57 6.17 -1.15 0.11 115.15 122.39 3g4i h HIS 481 Ca -0.01 0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.09 3g4i h HIS 481 Cb 1.20 -0.20 -0.02 0.00 2.52 0.00 0.00 27.41 30.91 3g4i h HIS 481 CO 0.04 0.34 0.26 0.00 0.71 0.00 0.00 177.93 179.29 3g4i h ALA 483 N 1.12 0.85 -0.81 0.00 0.00 -0.61 -1.60 119.26 118.20 3g4i h ALA 483 Ca 0.16 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3g4i h ALA 483 Cb -0.01 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 3g4i h ALA 483 CO -0.03 0.16 0.54 0.22 0.00 0.00 0.00 179.25 180.14 3g4i h ASP 484 N 0.80 0.89 -0.95 0.00 3.58 -0.55 -2.59 116.42 117.60 3g4i h ASP 484 Ca 0.26 -0.02 -0.62 0.00 0.42 0.00 0.00 57.03 57.08 3g4i h ASP 484 Cb 0.02 -0.21 -0.30 0.00 1.72 0.00 0.00 39.33 40.55 3g4i h ASP 484 CO -0.10 0.63 0.66 0.18 -2.88 0.00 0.00 179.24 177.72 3g4i n LEU 485 N -4.43 7.15 -0.07 2.28 4.77 -0.47 -4.61 117.00 121.62 3g4i n LEU 485 Ca 0.10 -4.17 0.11 0.00 -0.03 0.00 0.00 56.01 52.02 3g4i n LEU 485 Cb 0.08 -0.89 -0.00 0.00 -2.33 0.00 0.00 43.42 40.28 3g4i n LEU 485 CO 0.35 1.43 0.13 -1.54 -1.33 0.00 0.00 177.39 176.44 3g4i n SER 486 N -0.96 1.01 -0.22 -1.43 3.41 -0.66 -4.61 113.62 110.16 3g4i n SER 486 Ca 0.60 -0.88 0.02 0.00 -0.26 0.00 0.00 58.87 58.35 3g4i n SER 486 Cb 0.91 0.73 0.14 0.00 -0.26 0.00 0.00 64.21 65.73 3g4i n SER 486 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3g4i h ASN 487 N 0.33 0.04 0.49 4.04 -0.26 -1.82 0.53 115.58 118.93 3g4i h ASN 487 Ca 0.00 0.12 0.00 0.00 -0.56 0.00 0.00 56.30 55.86 3g4i h ASN 487 Cb 0.53 0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.95 3g4i h ASN 487 CO 0.00 0.01 0.00 -2.65 -1.06 0.00 0.00 177.43 173.73 3g4i n PRO 488 N -5.12 0.01 0.00 0.81 -0.02 -1.26 -2.57 135.00 126.85 3g4i n PRO 488 Ca 0.11 0.27 0.13 0.00 -2.02 0.00 0.00 63.50 61.99 3g4i n PRO 488 Cb 0.37 -1.52 0.34 0.00 -0.02 0.00 0.00 33.50 32.66 3g4i n PRO 488 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3g4i n THR 489 N -1.54 0.00 -3.31 3.45 -2.24 0.17 -4.13 114.28 106.67 3g4i n THR 489 Ca 0.03 -0.23 -0.27 0.00 -2.27 0.00 0.00 64.05 61.31 3g4i n THR 489 Cb 0.17 0.68 -0.02 0.00 -2.10 0.00 0.00 70.33 69.06 3g4i n THR 489 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3g4i s LYS 490 N -2.27 3.58 0.23 -0.78 -0.14 -1.06 -4.48 119.74 114.81 3g4i s LYS 490 Ca 0.28 -0.10 -0.27 0.00 -1.36 0.00 0.00 55.97 54.52 3g4i s LYS 490 Cb 0.20 -2.64 -0.16 0.00 -1.68 0.00 0.00 37.83 33.54 3g4i s LYS 490 CO 0.44 0.17 0.57 -2.30 -0.76 0.00 0.00 175.35 173.47 3g4i n PRO 491 N -1.27 0.22 -0.27 -1.68 -0.02 -1.26 -4.46 135.00 126.26 3g4i n PRO 491 Ca -0.03 0.08 0.06 0.00 -2.02 0.00 0.00 63.50 61.59 3g4i n PRO 491 Cb 0.55 -1.14 0.29 0.00 -0.02 0.00 0.00 33.50 33.17 3g4i n PRO 491 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3g4i h LEU 492 N 1.11 0.81 -1.59 2.45 5.85 -1.96 -1.05 115.31 120.93 3g4i h LEU 492 Ca -0.31 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.39 3g4i h LEU 492 Cb 1.42 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 3g4i h LEU 492 CO 0.57 0.51 -0.13 0.06 -0.34 0.00 0.00 178.44 179.11 3g4i h GLN 493 N 0.91 0.10 0.00 1.25 -0.00 -2.00 0.80 115.11 116.18 3g4i h GLN 493 Ca 0.38 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 59.01 3g4i h GLN 493 Cb 0.28 -0.02 0.00 0.00 -0.00 0.00 0.00 27.48 27.75 3g4i h GLN 493 CO -0.14 0.24 -0.00 -0.07 -0.00 0.00 0.00 178.83 178.85 3g4i h LEU 494 N 0.10 -0.00 -0.62 0.06 3.38 -1.54 -3.18 115.31 113.51 3g4i h LEU 494 Ca 0.02 -0.69 0.11 0.00 0.09 0.00 0.00 57.88 57.41 3g4i h LEU 494 Cb 0.29 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.96 3g4i h LEU 494 CO 0.02 0.69 0.17 0.22 0.09 0.00 0.00 178.44 179.63 3g4i h TYR 495 N -0.70 0.28 -0.68 1.13 3.20 -0.96 -2.02 116.97 117.22 3g4i h TYR 495 Ca -0.00 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 3g4i h TYR 495 Cb 0.70 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.90 3g4i h TYR 495 CO 0.17 0.01 0.36 0.00 -1.64 0.00 0.00 178.16 177.06 3g4i h ARG 496 N 0.31 0.95 -0.51 1.82 3.08 -0.95 -0.91 114.38 118.17 3g4i h ARG 496 Ca 0.33 -0.11 -0.06 0.00 0.07 0.00 0.00 59.98 60.21 3g4i h ARG 496 Cb 0.47 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 3g4i h ARG 496 CO -0.38 0.70 0.09 1.96 -1.07 0.00 0.00 179.97 181.27 3g4i h GLN 497 N 0.95 0.83 -0.65 0.04 4.20 -1.37 -1.16 115.11 117.96 3g4i h GLN 497 Ca 0.24 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 3g4i h GLN 497 Cb 0.04 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.69 3g4i h GLN 497 CO -0.04 0.82 0.32 -1.49 -0.67 0.00 0.00 178.83 177.77 3g4i h TRP 498 N 0.71 0.93 -0.17 2.96 -0.00 -0.99 -1.39 115.95 118.01 3g4i h TRP 498 Ca 0.15 -0.04 -0.00 0.00 -0.00 0.00 0.00 58.89 59.00 3g4i h TRP 498 Cb 0.38 -0.29 -0.01 0.00 -0.00 0.00 0.00 29.16 29.25 3g4i h TRP 498 CO 0.03 0.70 0.09 1.15 -0.00 0.00 0.00 178.44 180.40 3g4i h THR 499 N 0.90 1.10 -0.65 1.49 2.02 -1.00 -0.62 112.91 116.15 3g4i h THR 499 Ca 0.22 -0.28 0.09 0.00 0.77 0.00 0.00 66.41 67.21 3g4i h THR 499 Cb 0.11 0.99 -0.07 0.00 -1.74 0.00 0.00 68.15 67.44 3g4i h THR 499 CO -0.03 0.10 0.30 0.44 0.37 0.00 0.00 175.52 176.70 3g4i h ASP 500 N 0.17 0.38 -0.06 4.18 3.32 -1.07 -1.95 116.42 121.39 3g4i h ASP 500 Ca 0.06 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 3g4i h ASP 500 Cb 0.07 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 3g4i h ASP 500 CO -0.01 0.23 -0.00 0.03 -1.72 0.00 0.00 179.24 177.77 3g4i h ARG 501 N 0.53 0.11 -0.41 3.56 3.08 -0.98 -1.83 114.38 118.44 3g4i h ARG 501 Ca 0.32 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.26 3g4i h ARG 501 Cb 0.33 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 3g4i h ARG 501 CO -0.26 0.40 -0.03 0.97 -1.07 0.00 0.00 179.97 179.97 3g4i h ILE 502 N -0.19 1.23 -0.42 2.04 6.09 -0.99 -1.71 117.51 123.56 3g4i h ILE 502 Ca 0.02 -0.98 -0.09 0.00 -1.37 0.00 0.00 64.86 62.44 3g4i h ILE 502 Cb 0.35 0.95 -0.01 0.00 0.47 0.00 0.00 36.82 38.58 3g4i h ILE 502 CO 0.00 0.34 -0.09 0.24 -3.07 0.00 0.00 178.15 175.57 3g4i h MET 503 N 0.64 0.80 -0.58 2.19 2.86 -1.34 0.13 114.93 119.62 3g4i h MET 503 Ca 0.12 -0.30 0.08 0.00 -2.06 0.00 0.00 59.70 57.54 3g4i h MET 503 Cb 0.45 -0.05 -0.06 0.00 0.06 0.00 0.00 31.60 32.00 3g4i h MET 503 CO 0.02 0.92 0.25 1.49 1.06 0.00 0.00 176.91 180.65 3g4i h GLU 504 N 0.62 0.45 -0.11 1.72 4.81 -1.06 0.31 114.58 121.33 3g4i h GLU 504 Ca 0.11 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 3g4i h GLU 504 Cb 0.62 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 3g4i h GLU 504 CO 0.04 0.30 0.02 1.49 -0.73 0.00 0.00 179.01 180.13 3g4i h GLU 505 N 0.46 0.18 -0.19 1.92 4.81 -1.00 -1.95 114.58 118.82 3g4i h GLU 505 Ca 0.28 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.48 3g4i h GLU 505 Cb 0.29 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 3g4i h GLU 505 CO -0.25 0.36 0.06 0.74 -0.73 0.00 0.00 179.01 179.20 3g4i h PHE 506 N -0.03 0.11 -0.39 0.92 -1.00 -0.51 -1.95 116.94 114.09 3g4i h PHE 506 Ca 0.03 0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.78 3g4i h PHE 506 Cb 0.27 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.78 3g4i h PHE 506 CO 0.01 0.05 0.06 0.74 -1.61 0.00 0.00 178.31 177.57 3g4i h PHE 507 N 0.15 0.61 -0.47 -0.55 0.04 -0.36 -0.88 116.94 115.47 3g4i h PHE 507 Ca 0.08 -0.05 -0.05 0.00 2.80 0.00 0.00 57.97 60.75 3g4i h PHE 507 Cb 0.05 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.00 3g4i h PHE 507 CO -0.12 0.55 0.11 0.00 -0.60 0.00 0.00 178.31 178.25 3g4i h ARG 508 N 0.58 0.75 -0.36 1.51 3.08 -1.08 0.74 114.38 119.60 3g4i h ARG 508 Ca 0.13 -0.18 0.04 0.00 0.07 0.00 0.00 59.98 60.03 3g4i h ARG 508 Cb 0.27 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 3g4i h ARG 508 CO 0.00 0.74 0.14 0.37 -1.07 0.00 0.00 179.97 180.16 3g4i h GLN 509 N 0.63 0.29 -1.00 0.04 4.15 -0.81 -1.98 115.11 116.44 3g4i h GLN 509 Ca 0.15 -0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.60 3g4i h GLN 509 Cb 0.33 -0.07 -0.06 0.00 0.21 0.00 0.00 27.48 27.89 3g4i h GLN 509 CO 0.00 0.19 0.65 0.78 -1.93 0.00 0.00 178.83 178.53 3g4i h GLY 510 N 0.30 1.50 1.30 2.39 0.00 -0.72 0.17 103.07 108.01 3g4i h GLY 510 Ca 0.16 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 46.94 3g4i h GLY 510 CO -0.15 0.37 0.07 -0.55 0.00 0.00 0.00 176.54 176.28 3g4i h ASP 511 N 1.21 0.82 -0.19 0.19 3.32 -0.58 0.11 116.42 121.30 3g4i h ASP 511 Ca 0.42 -0.18 -0.07 0.00 0.02 0.00 0.00 57.03 57.22 3g4i h ASP 511 Cb 0.10 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 3g4i h ASP 511 CO -0.15 0.84 -0.14 0.03 -1.72 0.00 0.00 179.24 178.10 3g4i h ARG 512 N 0.81 0.43 -0.30 3.56 3.08 -0.55 -1.76 114.38 119.65 3g4i h ARG 512 Ca 0.17 -0.21 0.05 0.00 0.07 0.00 0.00 59.98 60.06 3g4i h ARG 512 Cb 0.39 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.39 3g4i h ARG 512 CO 0.01 0.76 -0.02 0.93 -1.07 0.00 0.00 179.97 180.58 3g4i h GLU 513 N 0.11 0.06 -0.11 0.04 5.08 -0.54 -2.14 114.58 117.07 3g4i h GLU 513 Ca 0.04 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 3g4i h GLU 513 Cb 0.66 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 3g4i h GLU 513 CO 0.04 0.04 -0.06 -0.09 -1.00 0.00 0.00 179.01 177.94 3g4i h ARG 514 N 0.06 -0.06 0.00 2.33 2.43 -0.74 0.81 114.38 119.21 3g4i h ARG 514 Ca 0.14 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 3g4i h ARG 514 Cb 0.20 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3g4i h ARG 514 CO -0.26 -0.04 -0.14 1.05 -1.51 0.00 0.00 179.97 179.07 3g4i h GLU 515 N -0.06 0.00 -0.01 0.20 4.11 -1.22 -1.83 114.58 115.77 3g4i h GLU 515 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.49 3g4i h GLU 515 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3g4i h GLU 515 CO -0.15 0.14 -0.24 0.54 0.07 0.00 0.00 179.01 179.38 3g4i n ARG 516 N -3.66 0.79 -1.03 1.06 1.74 -0.82 -4.95 116.66 109.80 3g4i n ARG 516 Ca -0.02 -0.44 -0.01 0.00 -0.77 0.00 0.00 57.85 56.61 3g4i n ARG 516 Cb 0.26 -1.49 -0.00 0.00 -1.02 0.00 0.00 32.46 30.21 3g4i n ARG 516 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g4i n GLY 517 N 1.34 0.46 3.91 -0.13 0.00 -0.67 -5.04 105.19 105.06 3g4i n GLY 517 Ca 0.12 -0.93 -0.27 0.00 0.00 0.00 0.00 46.02 44.95 3g4i n GLY 517 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3g4i s MET 518 N -1.87 3.56 0.26 1.61 -1.94 0.19 -5.01 119.30 116.10 3g4i s MET 518 Ca 0.00 0.10 -0.31 0.00 -1.71 0.00 0.00 55.69 53.77 3g4i s MET 518 Cb 0.00 -2.46 -0.11 0.00 2.01 0.00 0.00 34.83 34.27 3g4i s MET 518 CO 0.00 -0.09 1.62 -2.00 -0.01 0.00 0.00 175.02 174.54 3g4i s GLU 519 N -4.49 4.13 0.01 2.03 2.12 -1.26 -4.32 118.70 116.91 3g4i s GLU 519 Ca 0.46 2.56 -0.30 0.00 0.36 0.00 0.00 54.97 58.05 3g4i s GLU 519 Cb -0.10 -3.05 -0.04 0.00 0.26 0.00 0.00 34.13 31.21 3g4i s GLU 519 CO 0.41 -0.65 1.06 0.42 -0.54 0.00 0.00 175.26 175.96 3g4i s ILE 520 N 0.35 4.58 0.78 -3.70 1.01 -1.26 -4.89 121.20 118.07 3g4i s ILE 520 Ca 0.66 1.86 -0.12 0.00 0.00 0.00 0.00 60.65 63.04 3g4i s ILE 520 Cb -0.48 -4.19 0.07 0.00 0.01 0.00 0.00 42.46 37.87 3g4i s ILE 520 CO 0.43 0.12 1.14 -0.44 0.00 0.00 0.00 174.94 176.20 3g4i s SER 521 N 1.06 4.08 0.26 3.58 0.01 -1.26 -4.92 113.70 116.52 3g4i s SER 521 Ca 0.54 2.11 -0.31 0.00 1.31 0.00 0.00 55.95 59.60 3g4i s SER 521 Cb -0.23 -2.56 -0.12 0.00 0.21 0.00 0.00 66.02 63.32 3g4i s SER 521 CO 0.27 -2.33 1.60 -2.65 0.41 0.00 0.00 173.24 170.54 3g4i n PRO 522 N -3.30 2.61 -0.99 12.44 -0.02 -1.26 -2.08 135.00 142.40 3g4i n PRO 522 Ca 0.11 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.52 3g4i n PRO 522 Cb 0.52 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 3g4i n PRO 522 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3g4i n MET 523 N 2.53 0.00 -0.08 -0.52 2.81 -1.26 -4.90 117.12 115.70 3g4i n MET 523 Ca 0.11 0.00 0.08 0.00 -1.81 0.00 0.00 57.70 56.08 3g4i n MET 523 Cb 0.35 -2.50 0.12 0.00 -0.71 0.00 0.00 33.22 30.48 3g4i n MET 523 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3g4i s ASP 525 N -1.23 6.17 0.54 0.00 -1.08 -1.26 -3.57 116.67 116.24 3g4i s ASP 525 Ca 0.23 -1.11 0.31 0.00 -0.52 0.00 0.00 52.55 51.47 3g4i s ASP 525 Cb 0.15 -2.21 1.50 0.00 -1.46 0.00 0.00 42.92 40.89 3g4i s ASP 525 CO 0.21 -0.67 2.06 0.07 0.52 0.00 0.00 175.17 177.35 3g4i h LYS 526 N 8.79 0.00 0.00 4.34 2.10 -1.90 -2.20 116.57 127.70 3g4i h LYS 526 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 3g4i h LYS 526 Cb 1.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 3g4i h LYS 526 CO 0.87 0.09 -0.39 0.72 -2.00 0.00 0.00 179.45 178.73 3g4i n HIS 527 N -3.36 0.32 -2.58 0.07 8.25 -1.26 -4.12 115.22 112.54 3g4i n HIS 527 Ca -0.01 0.09 -0.14 0.00 -0.26 0.00 0.00 57.72 57.40 3g4i n HIS 527 Cb 0.26 -0.53 0.02 0.00 1.12 0.00 0.00 29.99 30.86 3g4i n HIS 527 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3g4i n ASN 528 N -1.82 2.66 -4.91 0.41 3.02 -0.85 -5.10 115.26 108.67 3g4i n ASN 528 Ca 0.05 -3.00 -0.32 0.00 -0.03 0.00 0.00 54.58 51.28 3g4i n ASN 528 Cb 0.39 -0.49 -0.04 0.00 -0.61 0.00 0.00 39.78 39.02 3g4i n ASN 528 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3g4i s ALA 529 N -3.36 3.95 -0.44 5.41 0.00 -1.09 -4.85 121.76 121.38 3g4i s ALA 529 Ca 0.35 -0.76 0.06 0.00 0.00 0.00 0.00 51.96 51.61 3g4i s ALA 529 Cb 0.42 -1.91 0.21 0.00 0.00 0.00 0.00 23.12 21.85 3g4i s ALA 529 CO -0.04 0.77 0.47 0.43 0.00 0.00 0.00 175.76 177.39 3g4i n SER 530 N 0.54 0.37 -0.04 0.00 7.64 -1.26 -5.04 113.62 115.83 3g4i n SER 530 Ca -0.07 -2.66 -0.10 0.00 1.01 0.00 0.00 58.87 57.05 3g4i n SER 530 Cb 0.52 -0.62 -0.04 0.00 -1.01 0.00 0.00 64.21 63.06 3g4i n SER 530 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3g4i h VAL 531 N 3.23 1.06 -0.16 0.44 2.07 -1.99 -0.10 116.25 120.80 3g4i h VAL 531 Ca 0.16 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 3g4i h VAL 531 Cb 0.87 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 3g4i h VAL 531 CO 0.47 0.05 0.05 -0.33 0.02 0.00 0.00 177.57 177.83 3g4i h GLU 532 N 0.23 0.25 -0.83 1.57 3.07 -1.92 -1.78 114.58 115.18 3g4i h GLU 532 Ca 0.07 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 3g4i h GLU 532 Cb -0.01 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 27.82 3g4i h GLU 532 CO -0.01 0.38 0.48 0.87 -1.40 0.00 0.00 179.01 179.33 3g4i h LYS 533 N 0.08 1.14 -0.61 2.33 1.57 -1.82 -2.72 116.57 116.53 3g4i h LYS 533 Ca 0.05 -0.11 -0.08 0.00 -1.87 0.00 0.00 60.65 58.63 3g4i h LYS 533 Cb 0.24 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3g4i h LYS 533 CO -0.00 0.81 0.05 0.77 -0.57 0.00 0.00 179.45 180.51 3g4i h SER 534 N 1.15 1.00 -0.78 0.86 0.02 -0.74 -1.75 113.55 113.31 3g4i h SER 534 Ca 0.30 -0.26 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 3g4i h SER 534 Cb -0.02 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.22 3g4i h SER 534 CO -0.05 1.02 0.37 1.56 -1.14 0.00 0.00 176.83 178.59 3g4i h GLN 535 N 0.96 1.13 -0.70 3.45 1.08 -1.15 0.29 115.11 120.17 3g4i h GLN 535 Ca 0.18 -0.17 -0.03 0.00 -1.45 0.00 0.00 58.65 57.18 3g4i h GLN 535 Cb 0.49 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.68 3g4i h GLN 535 CO 0.02 0.88 0.32 0.28 -0.95 0.00 0.00 178.83 179.38 3g4i h VAL 536 N 1.11 1.24 -0.31 -0.54 2.07 -1.27 -1.06 116.25 117.48 3g4i h VAL 536 Ca 0.27 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 3g4i h VAL 536 Cb 0.13 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3g4i h VAL 536 CO -0.03 0.28 0.10 1.23 0.02 0.00 0.00 177.57 179.17 3g4i h GLY 537 N 0.98 0.51 0.24 2.17 0.00 -0.88 -0.35 103.07 105.74 3g4i h GLY 537 Ca 0.24 -0.30 0.07 0.00 0.00 0.00 0.00 47.33 47.33 3g4i h GLY 537 CO -0.03 0.28 -0.15 -2.75 0.00 0.00 0.00 176.54 173.89 3g4i h PHE 538 N 0.34 -0.37 -0.09 5.60 3.57 -0.24 -0.18 116.94 125.57 3g4i h PHE 538 Ca 0.10 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 3g4i h PHE 538 Cb 0.24 0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 3g4i h PHE 538 CO 0.00 -0.22 0.03 0.82 -2.23 0.00 0.00 178.31 176.71 3g4i h ILE 539 N -0.11 1.16 -0.70 1.41 2.04 -1.07 -0.83 117.51 119.42 3g4i h ILE 539 Ca 0.16 -0.49 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 3g4i h ILE 539 Cb 0.34 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 3g4i h ILE 539 CO -0.37 0.14 0.41 0.44 0.00 0.00 0.00 178.15 178.77 3g4i h ASP 540 N -0.03 0.86 0.00 1.72 3.32 -0.84 0.43 116.42 121.89 3g4i h ASP 540 Ca 0.03 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 3g4i h ASP 540 Cb 0.20 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 3g4i h ASP 540 CO -0.00 0.68 -2.00 -1.22 -1.72 0.00 0.00 179.24 174.99 3g4i n TYR 541 N -4.52 0.00 0.05 4.55 4.02 -0.10 -4.44 117.16 116.72 3g4i n TYR 541 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.95 3g4i n TYR 541 Cb 0.07 -0.52 0.00 0.00 -0.02 0.00 0.00 39.34 38.88 3g4i n TYR 541 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 3g4i n ILE 542 N -2.27 0.79 -0.02 -0.72 5.41 -0.40 -4.79 119.36 117.37 3g4i n ILE 542 Ca -0.06 0.26 -0.16 0.00 1.00 0.00 0.00 62.75 63.80 3g4i n ILE 542 Cb 0.59 -1.42 -0.12 0.00 -0.71 0.00 0.00 39.64 37.99 3g4i n ILE 542 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3g4i h VAL 543 N 0.00 1.54 -0.13 1.39 2.07 -1.27 -2.86 116.25 116.98 3g4i h VAL 543 Ca 0.00 -2.05 -0.01 0.00 0.82 0.00 0.00 66.70 65.46 3g4i h VAL 543 Cb 0.22 2.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.80 3g4i h VAL 543 CO 0.00 0.57 0.05 -0.74 0.02 0.00 0.00 177.57 177.47 3g4i h HIS 544 N -0.46 0.20 -0.85 1.57 -0.00 -0.37 -1.34 115.15 113.91 3g4i h HIS 544 Ca -0.05 -0.02 0.13 0.00 -0.00 0.00 0.00 60.37 60.43 3g4i h HIS 544 Cb 1.12 -0.06 -0.09 0.00 -0.00 0.00 0.00 27.41 28.38 3g4i h HIS 544 CO 0.18 0.29 0.46 -1.35 -0.00 0.00 0.00 177.93 177.51 3g4i h PRO 545 N 0.05 0.69 0.52 5.26 0.11 -1.75 0.14 132.00 137.02 3g4i h PRO 545 Ca 0.04 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.09 3g4i h PRO 545 Cb 0.17 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 31.13 3g4i h PRO 545 CO -0.00 0.45 -0.25 1.25 -0.21 0.00 0.00 178.00 179.24 3g4i h LEU 546 N 0.71 -0.60 -1.27 2.35 5.85 -1.31 -2.61 115.31 118.43 3g4i h LEU 546 Ca 0.44 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 59.04 3g4i h LEU 546 Cb 0.53 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 3g4i h LEU 546 CO -0.31 -0.30 -0.36 -0.50 -0.34 0.00 0.00 178.44 176.63 3g4i h TRP 547 N -0.89 0.00 -0.73 1.25 4.06 -1.06 -0.30 115.95 118.28 3g4i h TRP 547 Ca -0.07 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.84 3g4i h TRP 547 Cb 0.61 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.74 3g4i h TRP 547 CO -0.00 0.36 0.29 1.49 -3.56 0.00 0.00 178.44 177.01 3g4i h GLU 548 N 0.00 1.08 -0.15 0.49 4.81 -0.76 0.16 114.58 120.20 3g4i h GLU 548 Ca -0.00 -0.19 -0.06 0.00 -0.13 0.00 0.00 59.36 58.98 3g4i h GLU 548 Cb 0.67 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 3g4i h GLU 548 CO 0.05 0.89 -0.12 1.15 -0.73 0.00 0.00 179.01 180.24 3g4i h THR 549 N 1.04 1.34 -0.56 0.32 2.02 -0.95 -2.01 112.91 114.10 3g4i h THR 549 Ca 0.24 -1.25 0.08 0.00 0.77 0.00 0.00 66.41 66.25 3g4i h THR 549 Cb 0.21 1.82 -0.06 0.00 -1.74 0.00 0.00 68.15 68.37 3g4i h THR 549 CO -0.02 0.37 0.22 -0.25 0.37 0.00 0.00 175.52 176.21 3g4i h TRP 550 N -0.00 0.39 -0.60 3.16 2.91 -1.04 -1.57 115.95 119.20 3g4i h TRP 550 Ca 0.03 0.03 0.06 0.00 1.13 0.00 0.00 58.89 60.13 3g4i h TRP 550 Cb 0.64 -0.09 -0.04 0.00 -0.51 0.00 0.00 29.16 29.16 3g4i h TRP 550 CO 0.08 0.13 0.39 0.00 -1.03 0.00 0.00 178.44 178.01 3g4i h ALA 551 N 1.37 1.81 -0.29 2.65 0.00 -0.56 -1.75 119.26 122.50 3g4i h ALA 551 Ca 0.28 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.03 3g4i h ALA 551 Cb 0.30 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3g4i h ALA 551 CO -0.26 0.09 -0.37 -0.44 0.00 0.00 0.00 179.25 178.27 3g4i h ASP 552 N 0.58 0.82 -0.69 0.00 5.19 -0.74 0.94 116.42 122.52 3g4i h ASP 552 Ca 0.26 -0.50 0.05 0.00 -0.62 0.00 0.00 57.03 56.22 3g4i h ASP 552 Cb 0.27 -0.23 -0.05 0.00 0.18 0.00 0.00 39.33 39.49 3g4i h ASP 552 CO -0.07 1.15 0.41 0.25 -3.12 0.00 0.00 179.24 177.86 3g4i h LEU 553 N 0.50 0.64 -3.28 1.55 5.85 -0.49 -3.07 115.31 117.01 3g4i h LEU 553 Ca 0.03 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3g4i h LEU 553 Cb 0.96 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.87 3g4i h LEU 553 CO 0.09 0.42 0.00 1.33 -0.34 0.00 0.00 178.44 179.94 3g4i n VAL 554 N -4.73 2.30 -1.57 1.05 0.24 -0.75 -4.97 118.33 109.90 3g4i n VAL 554 Ca 0.08 -1.79 -0.53 0.00 -2.04 0.00 0.00 64.34 60.06 3g4i n VAL 554 Cb 0.14 -0.23 -0.06 0.00 -1.47 0.00 0.00 33.84 32.22 3g4i n VAL 554 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 3g4i n HIS 555 N -0.32 1.34 -0.88 6.34 -0.00 0.32 -0.51 115.22 121.51 3g4i n HIS 555 Ca 0.22 0.72 0.08 0.00 -0.00 0.00 0.00 57.72 58.73 3g4i n HIS 555 Cb 0.91 -2.28 0.36 0.00 -0.00 0.00 0.00 29.99 28.98 3g4i n HIS 555 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 3g4i n PRO 556 N 2.31 4.27 -0.14 1.57 -0.04 -1.26 -5.00 135.00 136.70 3g4i n PRO 556 Ca 0.19 -3.04 0.23 0.00 -0.04 0.00 0.00 63.50 60.83 3g4i n PRO 556 Cb 0.17 -2.11 0.65 0.00 -0.04 0.00 0.00 33.50 32.17 3g4i n PRO 556 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3g4i h ASP 557 N 3.47 0.13 -0.50 3.54 3.32 -1.08 -2.55 116.42 122.74 3g4i h ASP 557 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3g4i h ASP 557 Cb 1.77 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 41.31 3g4i h ASP 557 CO 0.39 0.06 0.00 0.00 -1.72 0.00 0.00 179.24 177.97 3g4i n ALA 558 N -2.63 3.57 -0.17 3.45 0.00 -1.26 -4.65 120.51 118.82 3g4i n ALA 558 Ca 0.16 -1.98 -0.11 0.00 0.00 0.00 0.00 53.44 51.51 3g4i n ALA 558 Cb 0.76 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.21 3g4i n ALA 558 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3g4i h GLN 559 N 3.45 0.96 -0.30 0.00 5.75 -1.82 -1.89 115.11 121.26 3g4i h GLN 559 Ca 0.00 -0.37 -0.09 0.00 -0.15 0.00 0.00 58.65 58.04 3g4i h GLN 559 Cb 1.79 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 30.27 3g4i h GLN 559 CO 0.40 1.04 -0.21 -0.44 -2.65 0.00 0.00 178.83 176.96 3g4i h ASP 560 N 0.82 0.57 -0.19 -0.69 3.32 -1.85 -0.68 116.42 117.71 3g4i h ASP 560 Ca 0.13 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 3g4i h ASP 560 Cb 0.68 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 3g4i h ASP 560 CO 0.05 0.78 0.09 0.40 -1.72 0.00 0.00 179.24 178.84 3g4i h ILE 561 N 0.51 1.14 -0.61 0.35 2.04 -1.84 -1.43 117.51 117.67 3g4i h ILE 561 Ca 0.08 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.50 3g4i h ILE 561 Cb 0.64 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 3g4i h ILE 561 CO 0.05 0.14 0.27 0.25 0.00 0.00 0.00 178.15 178.85 3g4i h LEU 562 N 0.17 0.78 -0.41 1.44 5.85 -1.15 -1.26 115.31 120.75 3g4i h LEU 562 Ca 0.07 -0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.57 3g4i h LEU 562 Cb 0.13 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3g4i h LEU 562 CO -0.01 0.68 -0.22 0.44 -0.34 0.00 0.00 178.44 178.99 3g4i h ASP 563 N 0.86 0.90 -0.34 1.25 3.32 -1.00 -1.74 116.42 119.67 3g4i h ASP 563 Ca 0.21 -0.41 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 3g4i h ASP 563 Cb 0.13 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 3g4i h ASP 563 CO -0.02 1.12 0.20 0.74 -1.72 0.00 0.00 179.24 179.55 3g4i h THR 564 N 0.69 1.12 -0.32 0.35 2.02 -0.97 -0.54 112.91 115.26 3g4i h THR 564 Ca 0.09 -0.28 0.06 0.00 0.77 0.00 0.00 66.41 67.05 3g4i h THR 564 Cb 0.79 0.69 -0.06 0.00 -1.74 0.00 0.00 68.15 67.83 3g4i h THR 564 CO 0.06 0.12 -0.08 0.25 0.37 0.00 0.00 175.52 176.24 3g4i h LEU 565 N 0.44 -0.31 -0.77 2.58 5.85 -1.13 0.10 115.31 122.07 3g4i h LEU 565 Ca 0.12 0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.88 3g4i h LEU 565 Cb 0.02 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 3g4i h LEU 565 CO -0.02 -0.11 0.22 -0.33 -0.34 0.00 0.00 178.44 177.85 3g4i h GLU 566 N -0.01 1.15 -0.34 1.25 5.08 -1.11 -0.41 114.58 120.19 3g4i h GLU 566 Ca 0.15 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 3g4i h GLU 566 Cb 0.24 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3g4i h GLU 566 CO -0.33 0.98 0.21 -0.44 -1.00 0.00 0.00 179.01 178.43 3g4i h ASP 567 N 1.10 0.34 -0.67 1.42 3.32 -0.66 -2.50 116.42 118.78 3g4i h ASP 567 Ca 0.24 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.24 3g4i h ASP 567 Cb 0.32 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 3g4i h ASP 567 CO -0.01 0.25 0.24 0.78 -1.72 0.00 0.00 179.24 178.79 3g4i h ASN 568 N 0.42 0.94 -0.61 6.45 2.35 -0.63 -1.24 115.58 123.27 3g4i h ASN 568 Ca 0.13 -0.19 0.11 0.00 -0.55 0.00 0.00 56.30 55.80 3g4i h ASN 568 Cb -0.02 -0.25 -0.08 0.00 0.05 0.00 0.00 38.32 38.02 3g4i h ASN 568 CO -0.05 0.88 0.15 -0.09 -1.65 0.00 0.00 177.43 176.67 3g4i h ARG 569 N 0.95 0.29 -0.23 0.81 1.12 -0.98 -1.04 114.38 115.30 3g4i h ARG 569 Ca 0.22 -0.02 -0.14 0.00 -1.11 0.00 0.00 59.98 58.93 3g4i h ARG 569 Cb 0.25 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 30.13 3g4i h ARG 569 CO -0.01 0.19 -0.45 0.93 -3.11 0.00 0.00 179.97 177.52 3g4i h GLU 570 N 0.29 0.58 -0.13 0.20 4.39 -1.06 -1.09 114.58 117.77 3g4i h GLU 570 Ca 0.32 -0.32 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 3g4i h GLU 570 Cb 0.46 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 3g4i h GLU 570 CO -0.38 0.91 0.07 2.35 -1.16 0.00 0.00 179.01 180.81 3g4i h TRP 571 N 0.47 0.17 -0.76 4.33 7.01 -0.66 -2.12 115.95 124.40 3g4i h TRP 571 Ca 0.03 -0.00 -0.05 0.00 2.11 0.00 0.00 58.89 60.98 3g4i h TRP 571 Cb 0.97 -0.06 -0.03 0.00 -2.10 0.00 0.00 29.16 27.94 3g4i h TRP 571 CO 0.04 0.18 0.29 1.88 -2.79 0.00 0.00 178.44 178.04 3g4i h TYR 572 N 0.12 1.15 -0.24 2.65 0.05 -1.12 -2.70 116.97 116.89 3g4i h TYR 572 Ca 0.05 -0.09 0.06 0.00 0.05 0.00 0.00 58.73 58.80 3g4i h TYR 572 Cb 0.06 -0.35 -0.07 0.00 1.01 0.00 0.00 36.73 37.39 3g4i h TYR 572 CO -0.05 0.88 -0.21 0.37 -1.05 0.00 0.00 178.16 178.11 3g4i h GLN 573 N 1.10 -0.20 0.00 4.88 5.75 -0.98 -2.26 115.11 123.40 3g4i h GLN 573 Ca 0.25 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.76 3g4i h GLN 573 Cb 0.22 0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.82 3g4i h GLN 573 CO -0.02 -0.13 -0.03 0.66 -2.65 0.00 0.00 178.83 176.66 3g4i h SER 574 N -0.21 0.00 0.61 -0.69 4.64 -1.19 -1.47 113.55 115.25 3g4i h SER 574 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3g4i h SER 574 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3g4i h SER 574 CO -0.36 0.03 -0.08 0.41 -0.87 0.00 0.00 176.83 175.97 3g4i n THR 575 N -3.16 0.00 -1.83 2.95 -1.04 -0.87 -4.84 114.28 105.48 3g4i n THR 575 Ca -0.00 -0.02 -0.42 0.00 -2.04 0.00 0.00 64.05 61.56 3g4i n THR 575 Cb 0.27 -0.32 -0.03 0.00 -1.82 0.00 0.00 70.33 68.43 3g4i n THR 575 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3g4i s ILE 576 N -2.69 3.29 0.25 12.58 1.01 -0.55 -4.89 121.20 130.20 3g4i s ILE 576 Ca 0.23 0.34 -0.30 0.00 0.00 0.00 0.00 60.65 60.92 3g4i s ILE 576 Cb 0.20 -3.27 -0.11 0.00 0.01 0.00 0.00 42.46 39.29 3g4i s ILE 576 CO 0.50 -0.09 1.53 -2.16 0.00 0.00 0.00 174.94 174.72 3g4i s PRO 577 N 4.82 4.20 0.00 2.79 0.04 -1.26 -5.09 135.00 140.50 3g4i s PRO 577 Ca 0.84 2.43 0.00 0.00 0.04 0.00 0.00 61.00 64.30 3g4i s PRO 577 Cb -0.34 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.11 3g4i s PRO 577 CO 0.35 -0.54 0.00 0.00 0.04 0.00 0.00 177.00 176.85