#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g76 s LEU 256 N 0.00 3.55 0.19 1.20 1.43 -1.26 -5.07 118.68 118.73 3g76 s LEU 256 Ca 0.00 -0.13 -0.33 0.00 -1.03 0.00 0.00 54.13 52.64 3g76 s LEU 256 Cb 0.00 -2.27 -0.14 0.00 0.03 0.00 0.00 46.19 43.81 3g76 s LEU 256 CO 0.00 0.18 1.36 -0.81 0.23 0.00 0.00 176.35 177.30 3g76 n PRO 257 N 0.54 1.71 0.02 1.29 -0.04 -1.26 -4.88 135.00 132.39 3g76 n PRO 257 Ca -0.10 0.61 0.14 0.00 -0.04 0.00 0.00 63.50 64.11 3g76 n PRO 257 Cb 0.52 -2.24 0.60 0.00 -0.04 0.00 0.00 33.50 32.34 3g76 n PRO 257 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3g76 h ARG 258 N 4.29 0.17 -2.84 0.54 3.08 -0.82 -3.29 114.38 115.51 3g76 h ARG 258 Ca -0.45 -0.01 -0.60 0.00 0.07 0.00 0.00 59.98 58.99 3g76 h ARG 258 Cb 1.30 -0.04 -0.40 0.00 0.08 0.00 0.00 29.97 30.91 3g76 h ARG 258 CO 0.76 0.11 -0.77 1.21 -1.07 0.00 0.00 179.97 180.22 3g76 s ASN 259 N -6.43 3.33 0.54 7.04 2.47 0.97 -4.94 114.94 117.92 3g76 s ASN 259 Ca -0.06 -2.81 0.33 0.00 0.42 0.00 0.00 52.86 50.73 3g76 s ASN 259 Cb 0.19 -0.93 1.32 0.00 -1.45 0.00 0.00 41.25 40.38 3g76 s ASN 259 CO 0.72 -0.23 1.97 -0.65 -3.72 0.00 0.00 177.10 175.19 3g76 h PRO 260 N 6.40 0.00 -0.98 0.43 0.11 -1.76 -2.40 132.00 133.80 3g76 h PRO 260 Ca 0.07 0.00 0.17 0.00 0.11 0.00 0.00 66.00 66.34 3g76 h PRO 260 Cb 0.91 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.92 3g76 h PRO 260 CO 0.47 0.03 0.61 1.03 -0.21 0.00 0.00 178.00 179.93 3g76 h SER 261 N 0.00 0.78 -0.69 -2.05 0.87 -1.93 0.12 113.55 110.65 3g76 h SER 261 Ca -0.00 0.07 -0.18 0.00 -1.23 0.00 0.00 61.79 60.45 3g76 h SER 261 Cb 0.53 -0.08 -0.11 0.00 -0.44 0.00 0.00 62.40 62.31 3g76 h SER 261 CO 0.00 0.34 0.23 0.23 -0.53 0.00 0.00 176.83 177.10 3g76 n MET 262 N -4.67 3.83 0.29 2.24 2.81 -0.91 -4.50 117.12 116.21 3g76 n MET 262 Ca 0.21 -2.96 0.18 0.00 -1.81 0.00 0.00 57.70 53.32 3g76 n MET 262 Cb 0.51 -2.20 0.89 0.00 -0.71 0.00 0.00 33.22 31.71 3g76 n MET 262 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3g76 h ALA 263 N 2.89 1.09 -2.59 3.04 0.00 -0.71 -3.44 119.26 119.53 3g76 h ALA 263 Ca 0.22 -0.03 -0.56 0.00 0.00 0.00 0.00 54.91 54.53 3g76 h ALA 263 Cb 2.23 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.98 3g76 h ALA 263 CO 0.68 0.05 -0.11 -0.51 0.00 0.00 0.00 179.25 179.36 3g76 s ASP 264 N -5.65 6.77 0.18 0.00 1.11 -1.26 -4.99 116.67 112.83 3g76 s ASP 264 Ca -0.02 1.01 -0.09 0.00 0.18 0.00 0.00 52.55 53.63 3g76 s ASP 264 Cb 0.12 -2.26 0.07 0.00 1.07 0.00 0.00 42.92 41.92 3g76 s ASP 264 CO 0.51 0.09 1.64 0.22 1.18 0.00 0.00 175.17 178.81 3g76 h TYR 265 N 3.43 1.18 -0.25 4.23 3.20 -1.91 -2.77 116.97 124.06 3g76 h TYR 265 Ca -0.48 -0.20 -0.02 0.00 3.14 0.00 0.00 58.73 61.16 3g76 h TYR 265 Cb 1.19 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 39.14 3g76 h TYR 265 CO 0.65 1.03 0.07 0.93 -1.64 0.00 0.00 178.16 179.20 3g76 h GLU 266 N 0.99 0.36 -0.27 1.82 3.07 -1.96 -1.92 114.58 116.66 3g76 h GLU 266 Ca 0.17 -0.04 -0.11 0.00 -0.50 0.00 0.00 59.36 58.88 3g76 h GLU 266 Cb 0.56 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 3g76 h GLU 266 CO 0.03 0.33 -0.29 0.00 -1.40 0.00 0.00 179.01 177.68 3g76 h ALA 267 N 1.73 0.99 0.00 3.43 0.00 -1.86 -3.24 119.26 120.32 3g76 h ALA 267 Ca 0.09 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3g76 h ALA 267 Cb 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3g76 h ALA 267 CO -0.01 0.60 -0.00 0.00 0.00 0.00 0.00 179.25 179.84 3g76 h ARG 268 N 0.48 -0.01 -0.01 0.00 3.08 -1.09 -3.31 114.38 113.52 3g76 h ARG 268 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3g76 h ARG 268 Cb 0.75 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.80 3g76 h ARG 268 CO 0.06 0.60 0.01 -0.84 -1.07 0.00 0.00 179.97 178.73 3g76 h ILE 269 N -1.00 0.26 -0.57 2.04 -0.00 -1.60 -1.76 117.51 114.89 3g76 h ILE 269 Ca -0.00 0.00 0.05 0.00 -0.00 0.00 0.00 64.86 64.91 3g76 h ILE 269 Cb 0.60 0.99 -0.05 0.00 -0.00 0.00 0.00 36.82 38.37 3g76 h ILE 269 CO 0.00 0.00 0.30 0.15 -0.00 0.00 0.00 178.15 178.60 3g76 h PHE 270 N 0.00 0.55 0.00 0.16 -0.00 -1.64 -1.07 116.94 114.94 3g76 h PHE 270 Ca 0.00 0.02 -0.03 0.00 -0.00 0.00 0.00 57.97 57.97 3g76 h PHE 270 Cb 0.03 -0.17 -0.00 0.00 -0.00 0.00 0.00 35.95 35.81 3g76 h PHE 270 CO 0.00 0.27 -0.12 1.79 -0.00 0.00 0.00 178.31 180.25 3g76 h THR 271 N 0.58 0.44 -0.14 4.41 1.35 -1.44 -2.71 112.91 115.39 3g76 h THR 271 Ca 0.25 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 3g76 h THR 271 Cb 0.14 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 3g76 h THR 271 CO -0.16 0.12 0.00 0.49 -0.25 0.00 0.00 175.52 175.72 3g76 n PHE 272 N -3.46 0.19 0.27 4.73 3.01 -0.42 -3.92 117.46 117.85 3g76 n PHE 272 Ca -0.01 -0.09 0.13 0.00 1.01 0.00 0.00 57.45 58.48 3g76 n PHE 272 Cb 0.28 0.00 0.77 0.00 -0.01 0.00 0.00 39.48 40.52 3g76 n PHE 272 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3g76 h GLY 273 N 5.32 0.00 -3.54 1.37 0.00 -1.31 -1.33 103.07 103.58 3g76 h GLY 273 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 3g76 h GLY 273 CO 0.00 0.00 0.08 -0.37 0.00 0.00 0.00 176.54 176.25 3g76 n THR 274 N -3.83 2.74 -2.48 4.70 5.66 -1.25 -4.99 114.28 114.82 3g76 n THR 274 Ca -0.02 -1.42 -0.43 0.00 -3.05 0.00 0.00 64.05 59.13 3g76 n THR 274 Cb 0.17 -0.31 -0.02 0.00 -1.55 0.00 0.00 70.33 68.62 3g76 n THR 274 CO 0.00 0.00 0.00 0.86 -3.05 0.00 0.00 175.07 172.88 3g76 s TRP 275 N -2.77 2.78 -0.18 1.09 -0.11 -0.50 -4.88 118.94 114.38 3g76 s TRP 275 Ca 0.53 0.91 0.17 0.00 1.22 0.00 0.00 56.10 58.93 3g76 s TRP 275 Cb 0.41 -3.94 0.51 0.00 -1.50 0.00 0.00 33.47 28.95 3g76 s TRP 275 CO 0.15 -1.47 1.40 0.44 -4.62 0.00 0.00 176.95 172.84 3g76 n ILE 276 N 6.25 2.26 -4.24 5.86 -6.64 -1.26 -5.01 119.36 116.57 3g76 n ILE 276 Ca 0.14 -1.92 -0.29 0.00 -1.77 0.00 0.00 62.75 58.91 3g76 n ILE 276 Cb 0.47 -0.26 -0.10 0.00 -1.44 0.00 0.00 39.64 38.32 3g76 n ILE 276 CO 0.00 0.00 0.00 -0.31 -1.77 0.00 0.00 176.55 174.47 3g76 s TYR 277 N -2.84 2.71 0.33 4.28 1.51 -1.26 -5.02 117.35 117.06 3g76 s TYR 277 Ca 0.41 -0.18 0.02 0.00 -1.01 0.00 0.00 57.07 56.31 3g76 s TYR 277 Cb 0.34 -1.38 0.60 0.00 -0.11 0.00 0.00 41.96 41.40 3g76 s TYR 277 CO 0.08 0.45 1.98 0.66 -1.11 0.00 0.00 175.55 177.62 3g76 h SER 278 N 3.35 0.79 -1.90 2.29 4.64 -1.93 -3.42 113.55 117.37 3g76 h SER 278 Ca -0.48 -0.01 -0.60 0.00 -0.47 0.00 0.00 61.79 60.22 3g76 h SER 278 Cb 1.18 -0.19 0.01 0.00 -0.31 0.00 0.00 62.40 63.09 3g76 h SER 278 CO 0.53 0.55 1.31 0.52 -0.87 0.00 0.00 176.83 178.87 3g76 n VAL 279 N -4.45 0.47 -1.45 0.95 0.31 -1.26 -4.81 118.33 108.09 3g76 n VAL 279 Ca 0.09 -0.26 -0.55 0.00 -0.01 0.00 0.00 64.34 63.61 3g76 n VAL 279 Cb 0.09 -2.14 -0.08 0.00 -0.91 0.00 0.00 33.84 30.80 3g76 n VAL 279 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3g76 n ASN 280 N 9.05 1.80 0.20 4.52 2.85 -1.26 -4.87 115.26 127.56 3g76 n ASN 280 Ca 0.28 0.63 0.03 0.00 -0.11 0.00 0.00 54.58 55.41 3g76 n ASN 280 Cb 0.35 -1.14 0.41 0.00 1.24 0.00 0.00 39.78 40.65 3g76 n ASN 280 CO 0.00 0.00 0.00 0.07 -2.11 0.00 0.00 177.26 175.22 3g76 h LYS 281 N 10.32 0.01 -0.42 1.20 2.10 -1.88 -2.38 116.57 125.53 3g76 h LYS 281 Ca -0.27 -0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.24 3g76 h LYS 281 Cb 1.35 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.67 3g76 h LYS 281 CO 1.03 0.31 -0.29 0.93 -2.00 0.00 0.00 179.45 179.42 3g76 h GLU 282 N 0.01 0.93 -0.00 0.07 3.07 -1.99 -2.92 114.58 113.75 3g76 h GLU 282 Ca -0.00 -0.45 -0.00 0.00 -0.50 0.00 0.00 59.36 58.41 3g76 h GLU 282 Cb 0.54 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.44 3g76 h GLU 282 CO 0.04 1.11 0.00 1.96 -1.40 0.00 0.00 179.01 180.72 3g76 h GLN 283 N 0.76 0.01 -0.58 2.33 4.20 -1.87 -1.17 115.11 118.79 3g76 h GLN 283 Ca 0.08 -0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.89 3g76 h GLN 283 Cb 0.88 -0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.58 3g76 h GLN 283 CO 0.08 0.29 0.16 -0.07 -0.67 0.00 0.00 178.83 178.62 3g76 h LEU 284 N -0.28 0.09 -1.21 1.46 3.38 -1.50 0.14 115.31 117.39 3g76 h LEU 284 Ca 0.00 0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 3g76 h LEU 284 Cb 0.29 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3g76 h LEU 284 CO 0.00 0.06 -0.14 0.00 0.09 0.00 0.00 178.44 178.45 3g76 h ALA 285 N 1.43 1.34 -0.05 1.53 0.00 -1.46 0.20 119.26 122.25 3g76 h ALA 285 Ca 0.30 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 3g76 h ALA 285 Cb 0.40 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3g76 h ALA 285 CO -0.35 0.44 -0.56 0.00 0.00 0.00 0.00 179.25 178.79 3g76 h ARG 286 N 0.36 0.15 0.00 0.00 3.08 0.38 -2.37 114.38 115.97 3g76 h ARG 286 Ca 0.07 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3g76 h ARG 286 Cb 0.46 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3g76 h ARG 286 CO 0.03 0.67 0.00 0.00 -1.07 0.00 0.00 179.97 179.59 3g76 n ALA 287 N -2.46 2.38 -0.04 0.04 0.00 0.27 -4.87 120.51 115.82 3g76 n ALA 287 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3g76 n ALA 287 Cb 0.58 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3g76 n ALA 287 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g76 n GLY 288 N 0.98 0.98 3.88 0.00 0.00 -0.89 -4.88 105.19 105.25 3g76 n GLY 288 Ca 0.14 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 3g76 n GLY 288 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3g76 s PHE 289 N -2.00 3.53 0.04 1.61 0.08 0.68 -1.28 117.98 120.64 3g76 s PHE 289 Ca 0.00 0.73 0.04 0.00 0.12 0.00 0.00 56.93 57.81 3g76 s PHE 289 Cb 0.00 -2.12 -0.02 0.00 -0.57 0.00 0.00 43.02 40.31 3g76 s PHE 289 CO 0.00 0.46 -0.11 1.52 -0.10 0.00 0.00 175.22 177.00 3g76 s TYR 290 N -1.52 0.93 0.94 0.36 -0.85 -0.59 -3.66 117.35 112.96 3g76 s TYR 290 Ca 0.37 -0.39 -0.12 0.00 -0.52 0.00 0.00 57.07 56.41 3g76 s TYR 290 Cb -0.13 -0.55 0.16 0.00 0.38 0.00 0.00 41.96 41.82 3g76 s TYR 290 CO 0.20 -0.01 1.10 0.00 -1.52 0.00 0.00 175.55 175.33 3g76 s ALA 291 N -1.01 1.34 -0.01 9.51 0.00 -1.26 -2.23 121.76 128.10 3g76 s ALA 291 Ca -0.03 -0.30 0.01 0.00 0.00 0.00 0.00 51.96 51.64 3g76 s ALA 291 Cb -0.08 -3.12 0.02 0.00 0.00 0.00 0.00 23.12 19.93 3g76 s ALA 291 CO 0.01 -2.54 0.73 1.28 0.00 0.00 0.00 175.76 175.24 3g76 n LEU 292 N -3.98 0.70 0.00 0.00 4.77 -1.05 -4.82 117.00 112.61 3g76 n LEU 292 Ca 0.06 -0.84 0.00 0.00 -0.03 0.00 0.00 56.01 55.20 3g76 n LEU 292 Cb 0.57 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 3g76 n LEU 292 CO 0.57 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.44 3g76 n GLY 293 N -0.22 2.06 3.77 -0.72 0.00 -1.26 -4.99 105.19 103.83 3g76 n GLY 293 Ca 0.01 -0.30 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 3g76 n GLY 293 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g76 s GLU 294 N 0.00 3.76 0.00 1.61 8.01 -1.26 -4.95 118.70 125.87 3g76 s GLU 294 Ca 0.00 1.94 0.00 0.00 0.01 0.00 0.00 54.97 56.92 3g76 s GLU 294 Cb 0.00 -2.51 0.00 0.00 -4.31 0.00 0.00 34.13 27.31 3g76 s GLU 294 CO 0.00 -0.59 0.00 0.41 0.01 0.00 0.00 175.26 175.09 3g76 n GLY 295 N 0.57 0.00 0.14 -1.39 0.00 -1.26 -2.24 105.19 101.01 3g76 n GLY 295 Ca 0.06 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.23 3g76 n GLY 295 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3g76 n ASP 296 N 0.00 0.50 -4.54 1.61 5.68 -1.26 -4.91 116.55 113.62 3g76 n ASP 296 Ca 0.00 -0.78 -0.62 0.00 -0.50 0.00 0.00 54.79 52.89 3g76 n ASP 296 Cb 0.00 -0.06 -0.10 0.00 -1.14 0.00 0.00 41.12 39.82 3g76 n ASP 296 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3g76 n LYS 297 N -0.82 0.26 -4.19 0.11 5.02 -0.95 -4.77 118.16 112.82 3g76 n LYS 297 Ca 0.17 0.09 -0.14 0.00 -2.02 0.00 0.00 58.31 56.41 3g76 n LYS 297 Cb 0.25 -1.67 -0.11 0.00 -0.02 0.00 0.00 35.03 33.48 3g76 n LYS 297 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3g76 s VAL 298 N 4.51 0.98 0.32 -0.18 -7.23 -0.88 -2.55 120.40 115.36 3g76 s VAL 298 Ca 1.10 -1.78 0.07 0.00 -1.81 0.00 0.00 61.98 59.56 3g76 s VAL 298 Cb -1.38 -1.52 -0.06 0.00 0.56 0.00 0.00 36.38 33.98 3g76 s VAL 298 CO 0.71 -0.64 -0.05 -0.54 -0.31 0.00 0.00 175.10 174.28 3g76 s LYS 299 N -3.14 1.68 -0.09 4.82 1.02 -0.95 -0.75 119.74 122.33 3g76 s LYS 299 Ca 0.09 -1.87 -0.05 0.00 0.02 0.00 0.00 55.97 54.15 3g76 s LYS 299 Cb -0.01 -1.32 -0.04 0.00 -0.52 0.00 0.00 37.83 35.94 3g76 s LYS 299 CO -0.00 0.03 0.14 0.00 -0.92 0.00 0.00 175.35 174.60 3g76 h PHE 301 N 4.65 0.00 0.00 0.00 -5.15 -1.48 -2.26 116.94 112.70 3g76 h PHE 301 Ca -0.53 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.24 3g76 h PHE 301 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.39 3g76 h PHE 301 CO 0.73 0.15 0.00 1.58 -2.00 0.00 0.00 178.31 178.77 3g76 n HIS 302 N -3.28 0.00 0.57 6.09 -0.00 -1.26 -0.02 115.22 117.32 3g76 n HIS 302 Ca 0.01 0.00 0.11 0.00 0.46 0.00 0.00 57.72 58.30 3g76 n HIS 302 Cb 0.41 -0.03 0.45 0.00 -0.12 0.00 0.00 29.99 30.69 3g76 n HIS 302 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3g76 n GLY 304 N 0.53 1.11 3.75 0.00 0.00 -0.85 -4.94 105.19 104.78 3g76 n GLY 304 Ca 0.04 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 3g76 n GLY 304 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g76 s GLY 305 N -2.81 2.81 -0.07 -0.02 0.00 -1.26 -4.58 107.32 101.40 3g76 s GLY 305 Ca 0.00 0.29 0.01 0.00 0.00 0.00 0.00 44.72 45.02 3g76 s GLY 305 CO 0.00 1.03 -0.09 -0.32 0.00 0.00 0.00 173.10 173.72 3g76 s GLY 306 N -0.30 1.64 -0.01 0.20 0.00 -1.26 -0.22 107.32 107.37 3g76 s GLY 306 Ca 0.38 -0.91 0.03 0.00 0.00 0.00 0.00 44.72 44.22 3g76 s GLY 306 CO 0.23 -0.64 -0.10 1.08 0.00 0.00 0.00 173.10 173.67 3g76 s LEU 307 N -0.67 1.96 0.23 0.66 1.43 0.07 -4.98 118.68 117.37 3g76 s LEU 307 Ca 0.10 -0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.02 3g76 s LEU 307 Cb -0.11 -0.55 -0.05 0.00 0.03 0.00 0.00 46.19 45.51 3g76 s LEU 307 CO 0.01 0.11 0.09 0.42 0.23 0.00 0.00 176.35 177.22 3g76 s THR 308 N -0.13 0.40 -1.11 5.49 -4.23 -1.26 -2.07 115.64 112.72 3g76 s THR 308 Ca 0.02 -1.99 -0.05 0.00 -1.18 0.00 0.00 61.69 58.49 3g76 s THR 308 Cb -0.05 -2.52 0.01 0.00 1.34 0.00 0.00 72.50 71.27 3g76 s THR 308 CO -0.00 -0.07 0.96 0.47 -0.54 0.00 0.00 174.62 175.44 3g76 n ASP 309 N -0.37 -4.43 -4.53 3.99 8.00 -1.26 -5.00 116.55 112.95 3g76 n ASP 309 Ca -0.00 -0.49 -0.30 0.00 0.71 0.00 0.00 54.79 54.71 3g76 n ASP 309 Cb 0.66 -4.41 0.20 0.00 -0.02 0.00 0.00 41.12 37.55 3g76 n ASP 309 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 3g76 n TRP 310 N -4.30 -0.40 -3.87 1.24 7.02 -1.26 -5.06 117.44 110.81 3g76 n TRP 310 Ca -0.08 0.14 -0.22 0.00 -1.02 0.00 0.00 57.50 56.32 3g76 n TRP 310 Cb 0.58 -1.82 -0.04 0.00 -2.42 0.00 0.00 31.31 27.61 3g76 n TRP 310 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 3g76 s LYS 311 N -4.35 2.60 0.20 -0.99 -0.14 -1.26 -5.05 119.74 110.76 3g76 s LYS 311 Ca 0.66 -1.39 -0.06 0.00 -1.36 0.00 0.00 55.97 53.81 3g76 s LYS 311 Cb -0.23 -2.38 0.13 0.00 -1.68 0.00 0.00 37.83 33.67 3g76 s LYS 311 CO 0.62 0.07 1.60 -1.35 -0.76 0.00 0.00 175.35 175.54 3g76 h PRO 312 N 1.31 0.85 0.10 -1.68 0.11 -1.97 -3.29 132.00 127.44 3g76 h PRO 312 Ca -0.44 -0.35 -0.34 0.00 0.11 0.00 0.00 66.00 64.98 3g76 h PRO 312 Cb 1.25 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 3g76 h PRO 312 CO 0.60 0.99 -1.83 0.66 -0.21 0.00 0.00 178.00 178.20 3g76 h SER 313 N 0.74 0.34 -0.59 -2.05 4.64 -1.96 -3.41 113.55 111.26 3g76 h SER 313 Ca 0.10 -0.68 -0.30 0.00 -0.47 0.00 0.00 61.79 60.44 3g76 h SER 313 Cb 0.75 -0.11 0.06 0.00 -0.31 0.00 0.00 62.40 62.79 3g76 h SER 313 CO 0.06 1.60 -0.32 -0.62 -0.87 0.00 0.00 176.83 176.67 3g76 n GLU 314 N -3.39 0.00 -3.70 4.77 1.02 -1.24 -4.92 120.64 113.17 3g76 n GLU 314 Ca -0.25 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.53 3g76 n GLU 314 Cb 1.05 -0.47 -0.07 0.00 -0.02 0.00 0.00 31.44 31.93 3g76 n GLU 314 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3g76 s ASP 315 N -0.47 6.33 0.25 1.62 2.15 -1.26 -4.91 116.67 120.37 3g76 s ASP 315 Ca 0.29 0.38 -0.04 0.00 0.43 0.00 0.00 52.55 53.61 3g76 s ASP 315 Cb -0.38 -2.12 0.29 0.00 -0.30 0.00 0.00 42.92 40.41 3g76 s ASP 315 CO 0.27 0.21 1.78 -0.65 -0.17 0.00 0.00 175.17 176.62 3g76 h PRO 316 N 6.25 0.94 0.03 4.34 0.11 -1.92 -1.77 132.00 139.98 3g76 h PRO 316 Ca -0.44 -0.21 -0.00 0.00 0.11 0.00 0.00 66.00 65.46 3g76 h PRO 316 Cb 1.17 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3g76 h PRO 316 CO 0.72 0.85 -0.01 -1.49 -0.21 0.00 0.00 178.00 177.85 3g76 h TRP 317 N 0.90 -0.03 0.14 0.65 4.06 -1.95 -2.43 115.95 117.29 3g76 h TRP 317 Ca 0.19 -0.00 0.01 0.00 2.06 0.00 0.00 58.89 61.15 3g76 h TRP 317 Cb 0.33 0.01 -0.05 0.00 -1.00 0.00 0.00 29.16 28.46 3g76 h TRP 317 CO 0.02 0.39 -0.53 0.93 -3.56 0.00 0.00 178.44 175.69 3g76 h GLU 318 N -0.47 -0.74 -0.68 0.49 5.08 -1.98 -2.31 114.58 113.98 3g76 h GLU 318 Ca -0.00 0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.48 3g76 h GLU 318 Cb 0.44 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 3g76 h GLU 318 CO 0.01 -0.49 0.45 1.96 -1.00 0.00 0.00 179.01 179.93 3g76 h GLN 319 N -0.77 0.63 0.17 2.33 1.08 -1.40 0.90 115.11 118.05 3g76 h GLN 319 Ca -0.01 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 3g76 h GLN 319 Cb 0.77 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 28.05 3g76 h GLN 319 CO -0.28 0.41 -0.16 1.25 -0.95 0.00 0.00 178.83 179.11 3g76 h HIS 320 N 0.64 -0.43 -0.79 2.96 2.76 -1.11 -2.45 115.15 116.73 3g76 h HIS 320 Ca 0.30 0.00 0.14 0.00 -2.20 0.00 0.00 60.37 58.62 3g76 h HIS 320 Cb 0.34 0.17 -0.06 0.00 1.55 0.00 0.00 27.41 29.41 3g76 h HIS 320 CO -0.00 -0.21 0.52 0.00 -1.30 0.00 0.00 177.93 176.94 3g76 h ALA 321 N -1.51 2.02 0.00 5.26 0.00 -0.82 0.76 119.26 124.97 3g76 h ALA 321 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3g76 h ALA 321 Cb 0.28 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3g76 h ALA 321 CO -0.01 -0.23 -0.06 -0.22 0.00 0.00 0.00 179.25 178.73 3g76 h LYS 322 N 0.50 0.00 0.00 0.00 3.11 0.11 -2.98 116.57 117.31 3g76 h LYS 322 Ca 0.39 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.23 3g76 h LYS 322 Cb 0.79 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.02 3g76 h LYS 322 CO -0.14 0.06 -0.83 0.91 -2.81 0.00 0.00 179.45 176.63 3g76 n TRP 323 N -3.82 0.00 -3.20 1.91 7.02 -0.76 -4.39 117.44 114.19 3g76 n TRP 323 Ca -0.02 0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 56.21 3g76 n TRP 323 Cb 0.15 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 28.99 3g76 n TRP 323 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 3g76 n TYR 324 N -1.76 1.80 0.24 -5.99 4.02 0.26 -4.80 117.16 110.93 3g76 n TYR 324 Ca 0.00 -3.88 0.10 0.00 -0.01 0.00 0.00 57.90 54.12 3g76 n TYR 324 Cb 0.42 -0.45 0.59 0.00 -0.02 0.00 0.00 39.34 39.87 3g76 n TYR 324 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3g76 h PRO 325 N 3.59 0.00 -0.88 -0.72 0.13 -1.67 -2.63 132.00 129.83 3g76 h PRO 325 Ca 0.12 0.00 0.23 0.00 -0.87 0.00 0.00 66.00 65.49 3g76 h PRO 325 Cb 0.76 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.75 3g76 h PRO 325 CO 0.65 0.19 0.24 0.78 -0.23 0.00 0.00 178.00 179.63 3g76 h GLY 326 N 1.26 1.36 -6.44 1.56 0.00 -1.89 -3.44 103.07 95.47 3g76 h GLY 326 Ca -0.00 -0.04 -0.83 0.00 0.00 0.00 0.00 47.33 46.46 3g76 h GLY 326 CO 0.03 -0.36 0.36 0.00 0.00 0.00 0.00 176.54 176.56 3g76 h LYS 328 N 3.93 0.08 -0.45 0.00 6.56 -1.91 -3.00 116.57 121.78 3g76 h LYS 328 Ca -0.47 -0.14 -0.11 0.00 -1.06 0.00 0.00 60.65 58.87 3g76 h LYS 328 Cb 1.40 0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 33.09 3g76 h LYS 328 CO 0.80 1.01 -0.15 -0.92 -2.06 0.00 0.00 179.45 178.14 3g76 h TYR 329 N 0.02 0.93 -0.87 -1.35 3.20 -1.98 0.25 116.97 117.18 3g76 h TYR 329 Ca -0.09 -0.19 -0.03 0.00 3.14 0.00 0.00 58.73 61.57 3g76 h TYR 329 Cb 1.86 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 39.86 3g76 h TYR 329 CO 0.02 0.92 0.44 1.25 -1.64 0.00 0.00 178.16 179.15 3g76 h LEU 330 N 0.74 1.11 0.34 2.82 5.85 -1.90 -1.50 115.31 122.78 3g76 h LEU 330 Ca 0.12 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3g76 h LEU 330 Cb 0.66 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.40 3g76 h LEU 330 CO 0.05 0.92 -0.16 0.25 -0.34 0.00 0.00 178.44 179.15 3g76 h LEU 331 N 1.23 -0.39 -0.55 2.25 6.46 -1.25 -0.19 115.31 122.87 3g76 h LEU 331 Ca 0.30 -0.11 0.11 0.00 -0.12 0.00 0.00 57.88 58.06 3g76 h LEU 331 Cb 0.08 0.10 -0.11 0.00 -0.73 0.00 0.00 40.66 40.00 3g76 h LEU 331 CO -0.04 -0.11 -0.19 -0.08 -0.62 0.00 0.00 178.44 177.40 3g76 h GLU 332 N -0.67 -0.06 0.00 1.25 4.81 -0.45 1.37 114.58 120.83 3g76 h GLU 332 Ca -0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3g76 h GLU 332 Cb 0.47 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.87 3g76 h GLU 332 CO 0.08 -0.04 -0.18 1.04 -0.73 0.00 0.00 179.01 179.18 3g76 n GLN 333 N -5.41 0.05 0.00 1.92 1.13 -0.57 -4.35 117.38 110.15 3g76 n GLN 333 Ca 0.05 0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.15 3g76 n GLN 333 Cb 0.32 -1.55 0.00 0.00 0.11 0.00 0.00 30.24 29.12 3g76 n GLN 333 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3g76 n LYS 334 N -1.64 2.28 0.00 -1.09 4.76 -0.09 -5.06 118.16 117.32 3g76 n LYS 334 Ca 0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 3g76 n LYS 334 Cb 0.36 -0.70 0.00 0.00 -1.84 0.00 0.00 35.03 32.85 3g76 n LYS 334 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3g76 n GLY 335 N 1.33 -2.18 0.41 0.72 0.00 0.47 -4.28 105.19 101.64 3g76 n GLY 335 Ca 0.00 -1.43 -0.13 0.00 0.00 0.00 0.00 46.02 44.47 3g76 n GLY 335 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3g76 h GLN 336 N 0.00 -0.50 -0.87 1.61 1.08 -1.93 -3.03 115.11 111.48 3g76 h GLN 336 Ca 0.00 0.03 0.18 0.00 -1.45 0.00 0.00 58.65 57.42 3g76 h GLN 336 Cb 0.00 0.11 -0.06 0.00 -0.05 0.00 0.00 27.48 27.48 3g76 h GLN 336 CO 0.00 -0.33 0.57 0.93 -0.95 0.00 0.00 178.83 179.05 3g76 h GLU 337 N -0.52 0.44 -0.17 1.46 5.08 -1.98 0.14 114.58 119.02 3g76 h GLU 337 Ca 0.07 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3g76 h GLU 337 Cb 0.64 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 3g76 h GLU 337 CO -0.38 0.29 0.02 -0.92 -1.00 0.00 0.00 179.01 177.02 3g76 h TYR 338 N 0.45 0.31 0.68 4.33 3.20 -1.71 -2.74 116.97 121.47 3g76 h TYR 338 Ca 0.44 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 62.24 3g76 h TYR 338 Cb 1.03 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 39.22 3g76 h TYR 338 CO -0.00 0.46 -0.39 0.82 -1.64 0.00 0.00 178.16 177.40 3g76 h ILE 339 N 0.06 0.20 -0.67 1.81 2.04 -0.76 -2.41 117.51 117.79 3g76 h ILE 339 Ca 0.05 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.02 3g76 h ILE 339 Cb 0.32 0.20 -0.08 0.00 -0.74 0.00 0.00 36.82 36.52 3g76 h ILE 339 CO 0.00 0.00 0.27 0.78 0.00 0.00 0.00 178.15 179.20 3g76 h ASN 340 N -1.00 0.27 -0.85 1.72 2.35 -1.27 0.01 115.58 116.82 3g76 h ASN 340 Ca -0.09 0.08 0.03 0.00 -0.55 0.00 0.00 56.30 55.78 3g76 h ASN 340 Cb 0.80 0.06 -0.05 0.00 0.05 0.00 0.00 38.32 39.17 3g76 h ASN 340 CO 0.10 0.14 0.54 0.78 -1.65 0.00 0.00 177.43 177.35 3g76 h ASN 341 N 0.45 0.90 0.48 5.81 4.21 -1.43 -1.59 115.58 124.41 3g76 h ASN 341 Ca 0.34 -0.01 -0.08 0.00 1.21 0.00 0.00 56.30 57.77 3g76 h ASN 341 Cb 0.45 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.43 3g76 h ASN 341 CO -0.33 0.62 -0.38 0.40 -1.29 0.00 0.00 177.43 176.46 3g76 h ILE 342 N 1.06 1.15 -0.15 2.81 5.03 -0.72 -3.13 117.51 123.56 3g76 h ILE 342 Ca 0.34 -1.34 0.00 0.00 -0.12 0.00 0.00 64.86 63.74 3g76 h ILE 342 Cb 0.01 1.75 0.00 0.00 -3.03 0.00 0.00 36.82 35.54 3g76 h ILE 342 CO -0.12 0.37 0.00 1.57 -0.68 0.00 0.00 178.15 179.29 3g76 n HIS 343 N -3.91 0.20 -0.19 1.37 -0.00 -0.13 -4.38 115.22 108.17 3g76 n HIS 343 Ca -0.02 -0.10 -0.07 0.00 0.46 0.00 0.00 57.72 57.99 3g76 n HIS 343 Cb 0.43 0.00 0.02 0.00 -0.12 0.00 0.00 29.99 30.32 3g76 n HIS 343 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 3g76 h LEU 344 N 1.25 0.69 -3.60 0.27 4.07 -1.47 -3.25 115.31 113.27 3g76 h LEU 344 Ca 0.00 -0.10 -0.21 0.00 0.08 0.00 0.00 57.88 57.65 3g76 h LEU 344 Cb 0.28 -0.18 -0.27 0.00 1.08 0.00 0.00 40.66 41.57 3g76 h LEU 344 CO 0.00 0.59 -0.84 0.35 -1.08 0.00 0.00 178.44 177.47 3g76 n THR 345 N -4.61 1.46 -3.94 0.22 -2.24 -1.26 -5.07 114.28 98.84 3g76 n THR 345 Ca 0.03 -2.73 -0.22 0.00 -2.27 0.00 0.00 64.05 58.86 3g76 n THR 345 Cb 0.09 0.22 -0.05 0.00 -2.10 0.00 0.00 70.33 68.50 3g76 n THR 345 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3g76 s HIS 346 N -2.48 2.83 -0.27 4.78 3.76 -1.23 -5.12 115.29 117.57 3g76 s HIS 346 Ca 0.37 -0.33 -0.01 0.00 -0.15 0.00 0.00 55.06 54.95 3g76 s HIS 346 Cb 0.37 -1.71 0.08 0.00 1.11 0.00 0.00 32.58 32.43 3g76 s HIS 346 CO -0.07 0.26 0.05 -1.54 -0.85 0.00 0.00 174.74 172.59 3g76 s SER 347 N -3.93 3.72 0.01 1.40 1.04 -1.26 -4.91 113.70 109.78 3g76 s SER 347 Ca 0.39 -1.35 0.23 0.00 0.48 0.00 0.00 55.95 55.70 3g76 s SER 347 Cb -0.05 -0.88 0.09 0.00 0.10 0.00 0.00 66.02 65.28 3g76 s SER 347 CO 0.25 -0.35 1.09 0.00 0.98 0.00 0.00 173.24 175.21 3g76 n LEU 348 N 4.85 0.70 0.23 2.42 -0.00 -1.26 -4.41 117.00 119.52 3g76 n LEU 348 Ca -0.06 -0.19 0.12 0.00 -0.00 0.00 0.00 56.01 55.89 3g76 n LEU 348 Cb 0.44 -0.11 0.63 0.00 -0.00 0.00 0.00 43.42 44.38 3g76 n LEU 348 CO 0.13 0.14 0.93 -0.33 -0.00 0.00 0.00 177.39 178.27 3g76 h GLU 349 N 0.00 0.00 -0.50 1.47 4.39 -1.95 -1.43 114.58 116.56 3g76 h GLU 349 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3g76 h GLU 349 Cb 0.58 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 3g76 h GLU 349 CO 0.00 0.00 0.00 -1.91 -1.16 0.00 0.00 179.01 175.94 3g76 n GLU 350 N -2.43 2.54 -0.12 2.33 0.00 -1.26 -1.85 120.64 119.86 3g76 n GLU 350 Ca -0.02 -2.36 -0.25 0.00 0.00 0.00 0.00 57.16 54.54 3g76 n GLU 350 Cb 0.24 -1.53 -0.08 0.00 0.00 0.00 0.00 31.44 30.07 3g76 n GLU 350 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3g76 h LEU 352 N -0.87 0.00 0.00 0.00 3.38 -1.55 -1.14 115.31 115.13 3g76 h LEU 352 Ca -0.57 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.09 3g76 h LEU 352 Cb 1.49 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.19 3g76 h LEU 352 CO -0.35 0.00 -2.12 0.55 0.09 0.00 0.00 178.44 176.61 3g76 n VAL 353 N -2.13 1.12 0.14 1.22 3.14 -0.77 -4.57 118.33 116.48 3g76 n VAL 353 Ca -0.01 -0.39 0.00 0.00 -2.96 0.00 0.00 64.34 60.99 3g76 n VAL 353 Cb 0.29 -1.36 0.18 0.00 -1.06 0.00 0.00 33.84 31.89 3g76 n VAL 353 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 3g76 h ARG 354 N -0.22 0.00 -0.00 1.45 9.65 -1.35 -2.34 114.38 121.57 3g76 h ARG 354 Ca -0.46 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.42 3g76 h ARG 354 Cb 1.61 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.19 3g76 h ARG 354 CO -0.14 0.58 -0.12 0.25 2.80 0.00 0.00 179.97 183.34 3g76 n THR 355 N -3.67 0.00 0.95 0.20 -2.24 -0.72 -3.25 114.28 105.55 3g76 n THR 355 Ca -0.01 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 3g76 n THR 355 Cb 0.62 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 3g76 n THR 355 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3g76 n THR 356 N -1.09 0.00 -3.44 4.28 -2.24 -0.88 -4.50 114.28 106.41 3g76 n THR 356 Ca 0.13 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.47 3g76 n THR 356 Cb 0.29 -0.27 -0.09 0.00 -2.10 0.00 0.00 70.33 68.16 3g76 n THR 356 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3g76 s HIS 357 N -2.00 3.24 0.00 4.78 4.02 -1.20 -5.13 115.29 119.00 3g76 s HIS 357 Ca 0.00 -0.68 0.00 0.00 1.02 0.00 0.00 55.06 55.40 3g76 s HIS 357 Cb 0.00 -2.74 0.00 0.00 -1.02 0.00 0.00 32.58 28.82 3g76 s HIS 357 CO 0.00 -0.64 0.00 0.72 1.02 0.00 0.00 174.74 175.84