#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ir9 n TYR 253 N 0.00 0.00 -4.17 0.00 4.01 -1.26 -5.13 117.16 110.62 3ir9 n TYR 253 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.62 3ir9 n TYR 253 Cb 0.00 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 38.94 3ir9 n TYR 253 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3ir9 s THR 254 N -0.19 0.00 -0.64 -0.72 -4.23 -1.26 -5.10 115.64 103.49 3ir9 s THR 254 Ca 0.00 -1.87 -0.23 0.00 -1.18 0.00 0.00 61.69 58.41 3ir9 s THR 254 Cb 0.00 -2.45 0.06 0.00 1.34 0.00 0.00 72.50 71.45 3ir9 s THR 254 CO 0.00 0.00 0.99 -0.62 -0.54 0.00 0.00 174.62 174.45 3ir9 s ASP 255 N -3.16 6.20 -0.54 3.99 3.68 -1.26 -4.87 116.67 120.71 3ir9 s ASP 255 Ca 0.36 -0.82 0.01 0.00 2.13 0.00 0.00 52.55 54.23 3ir9 s ASP 255 Cb 0.05 -2.43 0.46 0.00 -1.45 0.00 0.00 42.92 39.54 3ir9 s ASP 255 CO 0.14 -1.43 1.77 -0.62 0.13 0.00 0.00 175.17 175.16 3ir9 n GLU 256 N 7.80 2.94 -0.00 4.34 1.02 -1.26 -4.22 120.64 131.25 3ir9 n GLU 256 Ca -0.02 -3.54 0.09 0.00 -0.02 0.00 0.00 57.16 53.67 3ir9 n GLU 256 Cb 0.46 -2.27 -0.12 0.00 -0.02 0.00 0.00 31.44 29.49 3ir9 n GLU 256 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3ir9 n SER 257 N -0.87 0.80 0.00 1.62 3.41 -1.26 -4.96 113.62 112.36 3ir9 n SER 257 Ca 0.57 -0.56 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 3ir9 n SER 257 Cb 0.78 1.34 0.00 0.00 -0.26 0.00 0.00 64.21 66.08 3ir9 n SER 257 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ir9 n GLY 258 N 1.43 1.93 0.25 5.00 0.00 -1.26 -4.92 105.19 107.61 3ir9 n GLY 258 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 3ir9 n GLY 258 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ir9 h LEU 259 N 0.00 -0.60 -0.10 0.99 6.46 -1.93 -2.75 115.31 117.38 3ir9 h LEU 259 Ca 0.00 0.08 0.02 0.00 -0.12 0.00 0.00 57.88 57.86 3ir9 h LEU 259 Cb 0.00 0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 40.13 3ir9 h LEU 259 CO 0.00 -0.28 -0.36 0.28 -0.62 0.00 0.00 178.44 177.46 3ir9 h SER 260 N -0.35 -1.13 -1.00 1.25 0.02 -1.91 -2.08 113.55 108.35 3ir9 h SER 260 Ca 0.05 0.13 0.40 0.00 -0.84 0.00 0.00 61.79 61.53 3ir9 h SER 260 Cb 0.41 0.44 -0.18 0.00 0.14 0.00 0.00 62.40 63.22 3ir9 h SER 260 CO -0.17 -0.31 0.46 -0.62 -1.14 0.00 0.00 176.83 175.05 3ir9 n GLU 261 N -4.43 -0.06 -0.04 3.45 -0.58 -1.06 -0.16 120.64 117.76 3ir9 n GLU 261 Ca -0.04 1.39 -0.14 0.00 -0.42 0.00 0.00 57.16 57.96 3ir9 n GLU 261 Cb 0.25 -2.46 -0.11 0.00 -0.57 0.00 0.00 31.44 28.55 3ir9 n GLU 261 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3ir9 h LEU 262 N 0.00 0.08 -0.20 -4.62 3.38 -1.13 -2.51 115.31 110.32 3ir9 h LEU 262 Ca 0.81 -0.71 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 3ir9 h LEU 262 Cb 2.10 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.82 3ir9 h LEU 262 CO -0.79 0.78 -0.23 -0.37 0.09 0.00 0.00 178.44 177.92 3ir9 h VAL 263 N -0.62 1.33 -0.85 1.22 -1.51 -0.29 0.69 116.25 116.23 3ir9 h VAL 263 Ca -0.01 -1.41 0.06 0.00 -1.23 0.00 0.00 66.70 64.11 3ir9 h VAL 263 Cb 0.78 1.79 -0.05 0.00 -2.13 0.00 0.00 31.29 31.68 3ir9 h VAL 263 CO 0.01 0.43 0.56 -1.13 -1.23 0.00 0.00 177.57 176.21 3ir9 h ASN 264 N 0.17 0.86 -0.07 4.19 -0.73 -0.69 0.64 115.58 119.95 3ir9 h ASN 264 Ca 0.03 0.00 -0.16 0.00 1.87 0.00 0.00 56.30 58.04 3ir9 h ASN 264 Cb 0.78 -0.18 0.01 0.00 0.27 0.00 0.00 38.32 39.20 3ir9 h ASN 264 CO 0.05 0.56 -0.58 0.00 -0.37 0.00 0.00 177.43 177.09 3ir9 h ALA 265 N 1.53 0.17 0.00 1.57 0.00 -1.12 -2.78 119.26 118.62 3ir9 h ALA 265 Ca 0.36 -0.54 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 3ir9 h ALA 265 Cb 0.16 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3ir9 h ALA 265 CO -0.12 0.42 -0.20 0.00 0.00 0.00 0.00 179.25 179.35 3ir9 h ALA 266 N 0.43 1.57 0.00 0.00 0.00 0.10 0.97 119.26 122.33 3ir9 h ALA 266 Ca -0.05 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3ir9 h ALA 266 Cb 1.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3ir9 h ALA 266 CO 0.12 0.25 0.00 0.78 0.00 0.00 0.00 179.25 180.40 3ir9 h GLY 267 N 0.69 0.00 0.35 0.00 0.00 0.33 -2.43 103.07 102.01 3ir9 h GLY 267 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 3ir9 h GLY 267 CO 0.03 0.00 -1.12 -2.09 0.00 0.00 0.00 176.54 173.36 3ir9 h GLU 268 N 0.00 0.15 -0.76 4.80 4.57 -0.57 -2.88 114.58 119.89 3ir9 h GLU 268 Ca 0.00 -0.26 0.04 0.00 -1.18 0.00 0.00 59.36 57.96 3ir9 h GLU 268 Cb 0.56 0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 29.20 3ir9 h GLU 268 CO 0.00 1.13 0.47 0.87 -1.18 0.00 0.00 179.01 180.30 3ir9 h LYS 269 N -0.57 0.87 0.00 1.92 1.57 -1.22 0.18 116.57 119.32 3ir9 h LYS 269 Ca -0.26 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.38 3ir9 h LYS 269 Cb 1.53 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.63 3ir9 h LYS 269 CO -0.00 0.58 -0.43 -0.07 -0.57 0.00 0.00 179.45 178.95 3ir9 h LEU 270 N 0.90 0.00 -0.13 2.94 3.38 -1.58 -2.35 115.31 118.47 3ir9 h LEU 270 Ca 0.31 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 58.05 3ir9 h LEU 270 Cb 0.07 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.83 3ir9 h LEU 270 CO -0.13 0.43 -0.85 1.56 0.09 0.00 0.00 178.44 179.54 3ir9 h GLN 271 N 0.00 0.76 -0.75 1.13 4.20 -1.24 -1.16 115.11 118.06 3ir9 h GLN 271 Ca -0.00 -0.67 0.15 0.00 0.06 0.00 0.00 58.65 58.19 3ir9 h GLN 271 Cb 1.17 0.15 -0.14 0.00 0.30 0.00 0.00 27.48 28.96 3ir9 h GLN 271 CO 0.06 1.27 -0.18 -0.44 -0.67 0.00 0.00 178.83 178.86 3ir9 h ASP 272 N 0.50 -0.69 -0.05 1.46 3.32 -0.43 -2.61 116.42 117.92 3ir9 h ASP 272 Ca -0.07 0.22 -0.05 0.00 0.02 0.00 0.00 57.03 57.15 3ir9 h ASP 272 Cb 1.48 0.46 0.00 0.00 0.22 0.00 0.00 39.33 41.49 3ir9 h ASP 272 CO 0.17 -0.25 -0.17 -0.07 -1.72 0.00 0.00 179.24 177.21 3ir9 h LEU 273 N 0.00 0.23 -1.93 1.55 3.38 -1.32 -3.16 115.31 114.06 3ir9 h LEU 273 Ca 0.36 -0.63 0.19 0.00 0.09 0.00 0.00 57.88 57.89 3ir9 h LEU 273 Cb 0.55 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3ir9 h LEU 273 CO -0.77 0.82 0.50 -0.33 0.09 0.00 0.00 178.44 178.76 3ir9 h GLU 274 N -0.35 0.07 -1.07 1.13 4.39 -1.03 -1.95 114.58 115.76 3ir9 h GLU 274 Ca -0.01 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3ir9 h GLU 274 Cb 0.80 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 3ir9 h GLU 274 CO 0.04 0.04 0.00 1.28 -1.16 0.00 0.00 179.01 179.21 3ir9 n LEU 275 N -4.36 2.93 0.00 1.33 4.32 -1.00 -2.07 117.00 118.16 3ir9 n LEU 275 Ca 0.14 -1.46 0.00 0.00 -0.02 0.00 0.00 56.01 54.67 3ir9 n LEU 275 Cb 0.73 -0.50 0.00 0.00 -1.62 0.00 0.00 43.42 42.04 3ir9 n LEU 275 CO 0.37 0.49 0.00 0.61 -1.22 0.00 0.00 177.39 177.64 3ir9 n GLY 277 N 0.55 0.00 0.26 -0.72 0.00 -0.73 -1.91 105.19 102.64 3ir9 n GLY 277 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3ir9 n GLY 277 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3ir9 h GLN 278 N 0.00 0.00 0.03 1.61 4.20 -1.69 0.05 115.11 119.31 3ir9 h GLN 278 Ca 0.00 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.48 3ir9 h GLN 278 Cb 0.00 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 3ir9 h GLN 278 CO 0.00 0.13 -1.12 0.87 -0.67 0.00 0.00 178.83 178.04 3ir9 h LYS 279 N 0.00 0.07 -0.35 1.46 1.57 -1.68 -2.81 116.57 114.82 3ir9 h LYS 279 Ca -0.00 -0.11 0.06 0.00 -1.87 0.00 0.00 60.65 58.73 3ir9 h LYS 279 Cb 0.38 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.68 3ir9 h LYS 279 CO 0.02 1.01 0.01 -0.91 -0.57 0.00 0.00 179.45 179.01 3ir9 h ASN 280 N 0.02 -0.13 -0.20 0.86 2.35 -1.33 -2.15 115.58 114.99 3ir9 h ASN 280 Ca -0.06 0.08 -0.18 0.00 -0.55 0.00 0.00 56.30 55.59 3ir9 h ASN 280 Cb 1.84 0.14 0.00 0.00 0.05 0.00 0.00 38.32 40.35 3ir9 h ASN 280 CO 0.14 -0.03 -0.58 0.00 -1.65 0.00 0.00 177.43 175.32 3ir9 h ALA 281 N 1.31 0.34 -0.22 -0.83 0.00 -1.18 -1.91 119.26 116.76 3ir9 h ALA 281 Ca 0.17 -0.52 -0.14 0.00 0.00 0.00 0.00 54.91 54.42 3ir9 h ALA 281 Cb 0.23 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3ir9 h ALA 281 CO -0.28 0.58 -0.43 0.28 0.00 0.00 0.00 179.25 179.39 3ir9 h VAL 282 N 0.47 1.30 -0.60 0.00 2.07 -1.53 -1.58 116.25 116.39 3ir9 h VAL 282 Ca -0.01 -1.61 -0.07 0.00 0.82 0.00 0.00 66.70 65.83 3ir9 h VAL 282 Cb 1.20 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 32.54 3ir9 h VAL 282 CO 0.12 0.50 0.10 0.03 0.02 0.00 0.00 177.57 178.35 3ir9 h ARG 283 N 0.44 0.99 -0.20 1.57 3.08 -1.35 -2.05 114.38 116.87 3ir9 h ARG 283 Ca 0.03 -0.26 -0.12 0.00 0.07 0.00 0.00 59.98 59.70 3ir9 h ARG 283 Cb 0.93 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 3ir9 h ARG 283 CO 0.08 0.93 -0.39 -0.44 -1.07 0.00 0.00 179.97 179.08 3ir9 h ASP 284 N 0.89 0.47 -0.29 7.04 5.19 -1.20 -1.09 116.42 127.42 3ir9 h ASP 284 Ca 0.18 -0.20 -0.05 0.00 -0.62 0.00 0.00 57.03 56.35 3ir9 h ASP 284 Cb 0.42 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.78 3ir9 h ASP 284 CO 0.01 0.82 0.00 0.15 -3.12 0.00 0.00 179.24 177.10 3ir9 h PHE 285 N 0.37 0.56 -0.03 4.55 3.57 -1.13 -1.82 116.94 123.01 3ir9 h PHE 285 Ca 0.03 -0.10 -0.06 0.00 3.53 0.00 0.00 57.97 61.38 3ir9 h PHE 285 Cb 0.86 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 3ir9 h PHE 285 CO 0.03 0.65 -0.28 0.74 -2.23 0.00 0.00 178.31 177.22 3ir9 h PHE 286 N 0.30 0.05 -0.33 0.41 0.04 -1.24 -1.59 116.94 114.58 3ir9 h PHE 286 Ca 0.08 -0.01 -0.15 0.00 2.80 0.00 0.00 57.97 60.70 3ir9 h PHE 286 Cb 0.42 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.56 3ir9 h PHE 286 CO 0.03 0.32 -0.36 0.87 -0.60 0.00 0.00 178.31 178.57 3ir9 h LYS 287 N 0.04 0.83 -0.27 1.51 1.57 -1.03 -1.69 116.57 117.54 3ir9 h LYS 287 Ca 0.00 -0.45 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3ir9 h LYS 287 Cb 0.52 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 3ir9 h LYS 287 CO 0.04 1.09 0.17 0.93 -0.57 0.00 0.00 179.45 181.11 3ir9 h GLU 288 N 0.62 0.36 -0.27 3.15 4.39 -1.07 1.24 114.58 123.01 3ir9 h GLU 288 Ca 0.05 -0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.78 3ir9 h GLU 288 Cb 0.95 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 29.46 3ir9 h GLU 288 CO 0.09 0.27 -0.12 1.25 -1.16 0.00 0.00 179.01 179.33 3ir9 h LEU 289 N 0.35 -0.41 0.44 1.33 5.85 -1.23 0.18 115.31 121.81 3ir9 h LEU 289 Ca 0.10 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 3ir9 h LEU 289 Cb -0.01 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 3ir9 h LEU 289 CO -0.02 -0.16 -0.34 0.40 -0.34 0.00 0.00 178.44 177.99 3ir9 h ILE 290 N -0.08 0.31 0.00 4.05 2.04 -1.14 -3.31 117.51 119.37 3ir9 h ILE 290 Ca 0.14 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.00 3ir9 h ILE 290 Cb 0.29 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 3ir9 h ILE 290 CO -0.32 0.00 0.00 0.00 0.00 0.00 0.00 178.15 177.83 3ir9 n ALA 291 N -2.60 2.32 -3.37 1.87 0.00 0.43 -4.72 120.51 114.45 3ir9 n ALA 291 Ca -0.11 -0.11 0.02 0.00 0.00 0.00 0.00 53.44 53.24 3ir9 n ALA 291 Cb 0.36 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 3ir9 n ALA 291 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ir9 s ASP 292 N -2.79 -0.78 0.00 0.00 -1.08 0.41 -4.98 116.67 107.44 3ir9 s ASP 292 Ca 0.20 0.87 0.32 0.00 -0.52 0.00 0.00 52.55 53.41 3ir9 s ASP 292 Cb 0.18 1.81 1.85 0.00 -1.46 0.00 0.00 42.92 45.31 3ir9 s ASP 292 CO 0.47 -0.15 2.20 -1.54 0.52 0.00 0.00 175.17 176.67 3ir9 n SER 293 N 5.22 0.08 -0.11 -0.34 3.41 -1.24 -3.55 113.62 117.08 3ir9 n SER 293 Ca -0.08 -1.01 0.01 0.00 -0.26 0.00 0.00 58.87 57.53 3ir9 n SER 293 Cb 0.52 -0.01 0.03 0.00 -0.26 0.00 0.00 64.21 64.49 3ir9 n SER 293 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ir9 n GLY 294 N 1.02 3.00 0.00 5.00 0.00 -1.26 -4.58 105.19 108.36 3ir9 n GLY 294 Ca 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3ir9 n GLY 294 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3ir9 n LYS 295 N -0.35 1.19 -0.67 1.61 0.00 -1.23 -3.76 118.16 114.95 3ir9 n LYS 295 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 58.31 57.97 3ir9 n LYS 295 Cb 0.29 -0.86 0.00 0.00 0.00 0.00 0.00 35.03 34.46 3ir9 n LYS 295 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 3ir9 n VAL 296 N -0.27 0.00 -3.62 3.15 0.24 -1.26 0.14 118.33 116.71 3ir9 n VAL 296 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.23 3ir9 n VAL 296 Cb 0.00 -0.39 -0.05 0.00 -1.47 0.00 0.00 33.84 31.93 3ir9 n VAL 296 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ir9 s ALA 297 N -2.00 -2.04 0.06 2.33 0.00 -0.61 -4.85 121.76 114.65 3ir9 s ALA 297 Ca 0.00 1.74 -0.16 0.00 0.00 0.00 0.00 51.96 53.54 3ir9 s ALA 297 Cb 0.00 -1.22 0.03 0.00 0.00 0.00 0.00 23.12 21.93 3ir9 s ALA 297 CO 0.00 -0.25 0.36 1.52 0.00 0.00 0.00 175.76 177.40 3ir9 s TYR 298 N -0.73 -0.18 0.00 0.00 -0.85 -1.26 0.11 117.35 114.43 3ir9 s TYR 298 Ca 0.04 0.04 0.00 0.00 -0.52 0.00 0.00 57.07 56.62 3ir9 s TYR 298 Cb -0.02 0.17 0.00 0.00 0.38 0.00 0.00 41.96 42.49 3ir9 s TYR 298 CO -0.05 -0.57 0.00 0.41 -1.52 0.00 0.00 175.55 173.82 3ir9 n GLY 299 N 0.36 -0.79 0.35 5.49 0.00 -0.34 -4.18 105.19 106.08 3ir9 n GLY 299 Ca -0.18 -1.40 0.21 0.00 0.00 0.00 0.00 46.02 44.65 3ir9 n GLY 299 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3ir9 h GLU 300 N 0.00 0.44 0.38 1.61 4.81 -1.88 -2.30 114.58 117.64 3ir9 h GLU 300 Ca 0.00 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 3ir9 h GLU 300 Cb 0.00 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.28 3ir9 h GLU 300 CO 0.00 0.29 -0.18 1.03 -0.73 0.00 0.00 179.01 179.42 3ir9 h SER 301 N 0.46 -0.43 -0.15 1.04 0.87 -1.99 -2.58 113.55 110.77 3ir9 h SER 301 Ca 0.68 -0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 61.17 3ir9 h SER 301 Cb 1.45 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 63.51 3ir9 h SER 301 CO -0.52 0.01 -0.04 -0.61 -0.53 0.00 0.00 176.83 175.14 3ir9 h GLN 302 N -1.11 0.43 -0.01 2.24 4.15 -1.71 -2.27 115.11 116.83 3ir9 h GLN 302 Ca -0.05 -0.09 -0.09 0.00 0.77 0.00 0.00 58.65 59.18 3ir9 h GLN 302 Cb 0.43 -0.06 0.01 0.00 0.21 0.00 0.00 27.48 28.07 3ir9 h GLN 302 CO 0.09 0.49 -0.36 0.28 -1.93 0.00 0.00 178.83 177.40 3ir9 h VAL 303 N 0.41 1.49 -0.66 2.39 2.07 -1.52 -2.43 116.25 118.00 3ir9 h VAL 303 Ca 0.09 -1.95 0.03 0.00 0.82 0.00 0.00 66.70 65.68 3ir9 h VAL 303 Cb 0.34 2.65 -0.04 0.00 -1.52 0.00 0.00 31.29 32.72 3ir9 h VAL 303 CO 0.01 0.55 0.41 -0.09 0.02 0.00 0.00 177.57 178.48 3ir9 h ARG 304 N -0.34 0.79 -0.71 1.57 2.43 -1.42 0.15 114.38 116.85 3ir9 h ARG 304 Ca -0.04 -0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.17 3ir9 h ARG 304 Cb 1.09 -0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 30.41 3ir9 h ARG 304 CO 0.07 0.53 0.47 0.00 -1.51 0.00 0.00 179.97 179.52 3ir9 h ALA 305 N 1.28 1.85 0.15 2.80 0.00 -1.42 -1.68 119.26 122.24 3ir9 h ALA 305 Ca 0.26 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.86 3ir9 h ALA 305 Cb 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.66 3ir9 h ALA 305 CO -0.10 0.00 -1.43 -0.91 0.00 0.00 0.00 179.25 176.81 3ir9 h ASN 306 N 0.61 0.49 -0.50 0.00 2.35 -0.78 -3.28 115.58 114.47 3ir9 h ASN 306 Ca 0.32 -0.59 -0.09 0.00 -0.55 0.00 0.00 56.30 55.39 3ir9 h ASN 306 Cb 0.46 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 3ir9 h ASN 306 CO -0.11 1.48 -0.04 -0.07 -1.65 0.00 0.00 177.43 177.04 3ir9 h LEU 307 N 0.09 0.91 -1.99 1.61 3.38 -0.80 -1.53 115.31 116.98 3ir9 h LEU 307 Ca -0.21 -0.33 0.23 0.00 0.09 0.00 0.00 57.88 57.66 3ir9 h LEU 307 Cb 2.03 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 42.50 3ir9 h LEU 307 CO 0.20 1.02 0.58 -0.33 0.09 0.00 0.00 178.44 179.99 3ir9 h GLU 308 N 0.78 0.01 -0.38 1.13 5.08 -1.41 0.17 114.58 119.95 3ir9 h GLU 308 Ca 0.14 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3ir9 h GLU 308 Cb 0.58 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3ir9 h GLU 308 CO 0.03 0.01 0.00 0.44 -1.00 0.00 0.00 179.01 178.49 3ir9 n ILE 309 N -4.30 2.08 -3.98 3.13 -5.35 -0.94 -4.97 119.36 105.03 3ir9 n ILE 309 Ca 0.16 -1.56 -0.26 0.00 -0.27 0.00 0.00 62.75 60.82 3ir9 n ILE 309 Cb 0.87 -0.07 -0.02 0.00 -1.74 0.00 0.00 39.64 38.67 3ir9 n ILE 309 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3ir9 n ASN 310 N 0.08 -0.59 -0.22 7.28 3.02 0.58 -4.86 115.26 120.56 3ir9 n ASN 310 Ca 0.21 -1.01 0.02 0.00 -0.03 0.00 0.00 54.58 53.77 3ir9 n ASN 310 Cb 0.86 -3.01 0.05 0.00 -0.61 0.00 0.00 39.78 37.08 3ir9 n ASN 310 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3ir9 n SER 311 N -2.96 2.16 -4.57 6.41 3.41 -0.63 -4.96 113.62 112.49 3ir9 n SER 311 Ca -0.27 -1.86 -0.41 0.00 -0.26 0.00 0.00 58.87 56.07 3ir9 n SER 311 Cb 0.67 -0.07 -0.08 0.00 -0.26 0.00 0.00 64.21 64.47 3ir9 n SER 311 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3ir9 s VAL 312 N -0.88 5.05 -0.02 -3.33 1.01 -1.26 -0.66 120.40 120.31 3ir9 s VAL 312 Ca 0.08 0.40 -0.23 0.00 0.00 0.00 0.00 61.98 62.23 3ir9 s VAL 312 Cb 0.04 -3.91 -0.21 0.00 0.00 0.00 0.00 36.38 32.30 3ir9 s VAL 312 CO 0.06 -0.14 1.13 -0.78 0.00 0.00 0.00 175.10 175.37 3ir9 h ASP 313 N 8.38 0.31 -3.54 3.32 3.58 -0.88 -3.41 116.42 124.19 3ir9 h ASP 313 Ca -0.28 -0.69 -0.25 0.00 0.42 0.00 0.00 57.03 56.23 3ir9 h ASP 313 Cb 1.13 -0.09 -0.31 0.00 1.72 0.00 0.00 39.33 41.78 3ir9 h ASP 313 CO 0.75 0.95 -0.63 -0.69 -2.88 0.00 0.00 179.24 176.73 3ir9 s VAL 314 N -3.48 -0.04 -0.10 2.25 1.01 -0.52 -2.58 120.40 116.94 3ir9 s VAL 314 Ca -0.15 0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.99 3ir9 s VAL 314 Cb 0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 36.38 36.21 3ir9 s VAL 314 CO 0.76 0.06 -0.15 -0.22 0.00 0.00 0.00 175.10 175.54 3ir9 s LEU 315 N 0.86 2.61 -0.22 3.92 2.96 -0.05 -0.50 118.68 128.27 3ir9 s LEU 315 Ca -0.07 -0.33 -0.04 0.00 -0.22 0.00 0.00 54.13 53.47 3ir9 s LEU 315 Cb -0.09 -1.56 -0.01 0.00 0.50 0.00 0.00 46.19 45.02 3ir9 s LEU 315 CO -0.04 0.21 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.41 3ir9 s LEU 316 N 0.07 3.00 -0.13 -0.68 1.02 0.77 -1.14 118.68 121.60 3ir9 s LEU 316 Ca -0.06 -0.34 0.01 0.00 0.02 0.00 0.00 54.13 53.76 3ir9 s LEU 316 Cb -0.15 -1.76 0.02 0.00 0.02 0.00 0.00 46.19 44.32 3ir9 s LEU 316 CO 0.05 0.00 -0.15 -0.76 0.02 0.00 0.00 176.35 175.51 3ir9 s LEU 317 N 1.36 1.71 0.00 1.79 1.43 -0.18 -1.87 118.68 122.91 3ir9 s LEU 317 Ca 0.04 -0.45 -0.30 0.00 -1.03 0.00 0.00 54.13 52.39 3ir9 s LEU 317 Cb -0.14 -1.13 -0.05 0.00 0.03 0.00 0.00 46.19 44.89 3ir9 s LEU 317 CO -0.01 -0.01 1.29 -0.55 0.23 0.00 0.00 176.35 177.30 3ir9 s SER 318 N 1.20 6.96 0.60 2.29 0.15 0.42 -0.37 113.70 124.95 3ir9 s SER 318 Ca -0.02 2.01 0.30 0.00 0.70 0.00 0.00 55.95 58.95 3ir9 s SER 318 Cb -0.14 -2.57 1.68 0.00 -1.71 0.00 0.00 66.02 63.28 3ir9 s SER 318 CO -0.05 -0.62 2.06 -0.33 1.20 0.00 0.00 173.24 175.50 3ir9 h GLU 319 N 7.41 0.00 -1.10 5.44 5.08 -1.36 -2.30 114.58 127.76 3ir9 h GLU 319 Ca -0.38 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.64 3ir9 h GLU 319 Cb 1.18 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.25 3ir9 h GLU 319 CO 0.87 0.00 0.44 -0.25 -1.00 0.00 0.00 179.01 179.07 3ir9 n ASP 320 N -3.63 4.30 -4.53 1.42 8.00 -1.26 -4.88 116.55 115.97 3ir9 n ASP 320 Ca 0.02 -3.06 -0.41 0.00 0.71 0.00 0.00 54.79 52.05 3ir9 n ASP 320 Cb 0.37 -0.79 -0.10 0.00 -0.02 0.00 0.00 41.12 40.58 3ir9 n ASP 320 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3ir9 s LEU 321 N -2.11 4.56 -0.48 0.64 1.43 -0.87 -5.03 118.68 116.83 3ir9 s LEU 321 Ca 0.36 -0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 53.04 3ir9 s LEU 321 Cb 0.30 -2.26 0.13 0.00 0.03 0.00 0.00 46.19 44.38 3ir9 s LEU 321 CO 0.05 -0.34 0.28 -0.13 0.23 0.00 0.00 176.35 176.45 3ir9 s ARG 322 N 1.91 2.19 -0.05 1.70 1.81 -1.26 -4.94 118.95 120.31 3ir9 s ARG 322 Ca 0.09 -2.05 -0.24 0.00 -1.72 0.00 0.00 55.73 51.81 3ir9 s ARG 322 Cb -0.17 -3.64 0.05 0.00 -0.45 0.00 0.00 34.95 30.74 3ir9 s ARG 322 CO 0.11 -1.11 0.54 0.00 -0.68 0.00 0.00 175.30 174.16 3ir9 s ALA 323 N 0.76 -1.39 -0.08 2.13 0.00 -1.26 0.79 121.76 122.70 3ir9 s ALA 323 Ca 0.11 0.98 0.01 0.00 0.00 0.00 0.00 51.96 53.06 3ir9 s ALA 323 Cb -0.22 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 22.88 3ir9 s ALA 323 CO -0.04 -0.32 -0.09 -1.21 0.00 0.00 0.00 175.76 174.10 3ir9 s GLU 324 N -1.13 1.46 -0.38 0.00 2.02 0.57 -1.86 118.70 119.37 3ir9 s GLU 324 Ca -0.11 -0.28 -0.24 0.00 0.02 0.00 0.00 54.97 54.36 3ir9 s GLU 324 Cb -0.02 -1.39 0.01 0.00 0.10 0.00 0.00 34.13 32.83 3ir9 s GLU 324 CO 0.07 -0.13 0.84 0.50 0.02 0.00 0.00 175.26 176.56 3ir9 s ARG 325 N 1.23 3.74 0.03 1.61 6.06 -0.12 -1.55 118.95 129.94 3ir9 s ARG 325 Ca -0.04 0.36 -0.07 0.00 -2.50 0.00 0.00 55.73 53.47 3ir9 s ARG 325 Cb -0.14 -3.82 -0.05 0.00 0.06 0.00 0.00 34.95 31.00 3ir9 s ARG 325 CO -0.03 -0.93 0.30 0.08 -2.50 0.00 0.00 175.30 172.22 3ir9 s VAL 326 N 3.28 5.26 -0.19 7.11 1.01 0.13 -2.10 120.40 134.90 3ir9 s VAL 326 Ca 0.34 0.22 -0.03 0.00 0.00 0.00 0.00 61.98 62.51 3ir9 s VAL 326 Cb -0.12 -3.59 0.06 0.00 0.00 0.00 0.00 36.38 32.73 3ir9 s VAL 326 CO 0.19 0.34 0.05 -0.89 0.00 0.00 0.00 175.10 174.79 3ir9 s THR 327 N -1.33 0.39 -0.17 3.92 2.01 -0.08 -1.83 115.64 118.56 3ir9 s THR 327 Ca 0.29 -0.50 -0.03 0.00 0.31 0.00 0.00 61.69 61.76 3ir9 s THR 327 Cb -0.13 -0.95 -0.02 0.00 0.01 0.00 0.00 72.50 71.40 3ir9 s THR 327 CO 0.17 -0.25 -0.05 0.42 -0.69 0.00 0.00 174.62 174.22 3ir9 s THR 328 N 1.92 3.64 0.25 -0.82 -4.23 -1.08 0.51 115.64 115.83 3ir9 s THR 328 Ca 0.00 -0.44 0.08 0.00 -1.18 0.00 0.00 61.69 60.16 3ir9 s THR 328 Cb -0.17 -2.60 -0.04 0.00 1.34 0.00 0.00 72.50 71.03 3ir9 s THR 328 CO -0.09 0.48 0.08 -0.54 -0.54 0.00 0.00 174.62 174.00 3ir9 s LYS 329 N 0.65 2.56 -0.02 3.99 1.02 -0.65 -1.79 119.74 125.51 3ir9 s LYS 329 Ca -0.03 -1.23 -0.23 0.00 0.02 0.00 0.00 55.97 54.50 3ir9 s LYS 329 Cb -0.15 -2.35 -0.05 0.00 -0.52 0.00 0.00 37.83 34.77 3ir9 s LYS 329 CO 0.02 0.39 0.68 0.00 -0.92 0.00 0.00 175.35 175.52 3ir9 n SER 331 N 3.18 0.00 0.00 0.00 3.41 -1.02 -4.36 113.62 114.83 3ir9 n SER 331 Ca -0.04 -0.84 0.00 0.00 -0.26 0.00 0.00 58.87 57.74 3ir9 n SER 331 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 3ir9 n SER 331 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3ir9 n VAL 332 N -0.65 0.00 -1.20 -3.33 0.31 -1.26 -5.00 118.33 107.19 3ir9 n VAL 332 Ca 0.04 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.08 3ir9 n VAL 332 Cb 0.02 -0.06 0.19 0.00 -0.91 0.00 0.00 33.84 33.08 3ir9 n VAL 332 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ir9 n GLY 334 N -1.24 0.03 3.75 0.00 0.00 -1.26 -4.30 105.19 102.17 3ir9 n GLY 334 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 3ir9 n GLY 334 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ir9 s TYR 335 N -1.58 2.36 -0.26 1.61 5.04 -1.26 -4.85 117.35 118.41 3ir9 s TYR 335 Ca 0.00 1.45 -0.26 0.00 -2.44 0.00 0.00 57.07 55.82 3ir9 s TYR 335 Cb 0.00 -3.64 0.11 0.00 0.35 0.00 0.00 41.96 38.78 3ir9 s TYR 335 CO 0.00 -2.52 0.93 -1.83 -1.34 0.00 0.00 175.55 170.79 3ir9 s GLU 336 N -3.06 0.63 0.29 4.97 -1.05 -1.26 -0.88 118.70 118.34 3ir9 s GLU 336 Ca 0.74 0.64 0.03 0.00 -0.15 0.00 0.00 54.97 56.23 3ir9 s GLU 336 Cb -0.36 0.30 -0.06 0.00 -0.44 0.00 0.00 34.13 33.58 3ir9 s GLU 336 CO 0.41 -0.10 0.07 0.54 0.95 0.00 0.00 175.26 177.13 3ir9 s ASN 337 N 0.07 1.86 -0.17 0.83 2.20 -0.74 -5.02 114.94 113.97 3ir9 s ASN 337 Ca 0.01 -1.37 -0.04 0.00 -0.94 0.00 0.00 52.86 50.52 3ir9 s ASN 337 Cb -0.04 0.02 0.07 0.00 -2.00 0.00 0.00 41.25 39.30 3ir9 s ASN 337 CO -0.03 -0.65 0.16 -0.54 -2.94 0.00 0.00 177.10 173.10 3ir9 s LYS 338 N -3.95 0.11 0.26 3.55 1.02 -1.26 -2.62 119.74 116.85 3ir9 s LYS 338 Ca 0.36 0.17 0.10 0.00 0.02 0.00 0.00 55.97 56.62 3ir9 s LYS 338 Cb 0.08 -1.26 -0.05 0.00 -0.52 0.00 0.00 37.83 36.08 3ir9 s LYS 338 CO 0.14 -0.59 -0.16 1.67 -0.92 0.00 0.00 175.35 175.49 3ir9 s TRP 339 N 2.25 2.08 0.05 3.18 1.48 -0.76 -4.96 118.94 122.26 3ir9 s TRP 339 Ca 0.04 -0.45 0.06 0.00 -1.06 0.00 0.00 56.10 54.69 3ir9 s TRP 339 Cb -0.15 -0.96 -0.03 0.00 -1.16 0.00 0.00 33.47 31.16 3ir9 s TRP 339 CO -0.10 0.55 -0.14 0.99 -4.06 0.00 0.00 176.95 174.20 3ir9 s THR 340 N -2.71 3.11 -0.04 0.66 2.01 -1.26 0.22 115.64 117.62 3ir9 s THR 340 Ca 0.28 -1.12 -0.01 0.00 0.31 0.00 0.00 61.69 61.15 3ir9 s THR 340 Cb -0.02 -2.36 0.03 0.00 0.01 0.00 0.00 72.50 70.16 3ir9 s THR 340 CO 0.12 0.30 0.02 -0.60 -0.69 0.00 0.00 174.62 173.77 3ir9 s ARG 341 N -1.61 0.25 0.52 4.92 3.52 -0.59 -4.98 118.95 120.97 3ir9 s ARG 341 Ca 0.17 0.17 -0.23 0.00 -0.13 0.00 0.00 55.73 55.71 3ir9 s ARG 341 Cb -0.11 -0.59 -0.06 0.00 -1.56 0.00 0.00 34.95 32.64 3ir9 s ARG 341 CO 0.08 -0.23 1.36 0.50 -0.81 0.00 0.00 175.30 176.20 3ir9 s ARG 342 N 1.56 3.31 0.19 5.12 3.52 -1.26 -0.32 118.95 131.06 3ir9 s ARG 342 Ca -0.02 2.24 -0.16 0.00 -0.13 0.00 0.00 55.73 57.65 3ir9 s ARG 342 Cb -0.13 -2.36 -0.08 0.00 -1.56 0.00 0.00 34.95 30.83 3ir9 s ARG 342 CO -0.03 -1.06 0.63 -0.46 -0.81 0.00 0.00 175.30 173.57 3ir9 s TRP 343 N -1.30 3.60 0.30 5.12 -0.00 0.24 -4.77 118.94 122.13 3ir9 s TRP 343 Ca 0.69 1.19 -0.12 0.00 -0.00 0.00 0.00 56.10 57.86 3ir9 s TRP 343 Cb -0.40 -2.47 0.01 0.00 -0.00 0.00 0.00 33.47 30.61 3ir9 s TRP 343 CO 0.49 0.37 0.57 0.15 -0.00 0.00 0.00 176.95 178.52 3ir9 s LYS 344 N -2.06 1.81 0.00 5.86 -0.14 -1.26 -4.88 119.74 119.08 3ir9 s LYS 344 Ca 0.41 -1.39 0.00 0.00 -1.36 0.00 0.00 55.97 53.63 3ir9 s LYS 344 Cb -0.15 0.51 0.00 0.00 -1.68 0.00 0.00 37.83 36.51 3ir9 s LYS 344 CO 0.20 -0.78 0.00 -2.30 -0.76 0.00 0.00 175.35 171.70 3ir9 n PRO 345 N -0.47 0.00 0.00 -1.68 -0.02 -1.26 -5.11 135.00 126.46 3ir9 n PRO 345 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 3ir9 n PRO 345 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.09 3ir9 n PRO 345 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3ir9 n PRO 348 N -0.96 -0.86 -3.75 0.52 -0.02 -1.26 -5.28 135.00 123.39 3ir9 n PRO 348 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.35 3ir9 n PRO 348 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 33.50 33.35 3ir9 n PRO 348 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ir9 s ALA 349 N -3.14 -0.43 0.87 3.55 0.00 -1.26 -5.16 121.76 116.18 3ir9 s ALA 349 Ca 0.00 0.78 -0.10 0.00 0.00 0.00 0.00 51.96 52.63 3ir9 s ALA 349 Cb 0.00 -0.49 0.11 0.00 0.00 0.00 0.00 23.12 22.74 3ir9 s ALA 349 CO 0.00 -0.16 1.11 -2.14 0.00 0.00 0.00 175.76 174.58 3ir9 s PRO 350 N 0.96 1.46 0.14 0.00 0.02 -1.26 -5.08 135.00 131.24 3ir9 s PRO 350 Ca -0.07 1.29 0.06 0.00 0.02 0.00 0.00 61.00 62.30 3ir9 s PRO 350 Cb -0.09 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.60 3ir9 s PRO 350 CO -0.06 -2.24 -0.14 0.00 -0.33 0.00 0.00 177.00 174.23 3ir9 s ALA 351 N -2.77 1.62 -0.18 -1.55 0.00 -1.26 -4.84 121.76 112.78 3ir9 s ALA 351 Ca 0.64 -1.40 -0.14 0.00 0.00 0.00 0.00 51.96 51.06 3ir9 s ALA 351 Cb -0.20 -0.07 -0.08 0.00 0.00 0.00 0.00 23.12 22.77 3ir9 s ALA 351 CO 0.57 0.08 -0.16 0.00 0.00 0.00 0.00 175.76 176.26 3ir9 n ALA 352 N 0.26 0.70 0.00 0.00 0.00 -1.26 -4.93 120.51 115.27 3ir9 n ALA 352 Ca -0.13 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.71 3ir9 n ALA 352 Cb 0.58 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.94 3ir9 n ALA 352 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ir9 n GLY 353 N 1.50 0.15 3.96 0.00 0.00 -1.24 -4.90 105.19 104.66 3ir9 n GLY 353 Ca -0.19 -1.58 -0.19 0.00 0.00 0.00 0.00 46.02 44.06 3ir9 n GLY 353 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ir9 s ASN 354 N -4.00 5.30 -0.15 1.61 0.01 -1.26 0.81 114.94 117.25 3ir9 s ASN 354 Ca 0.00 -0.65 -0.15 0.00 -0.71 0.00 0.00 52.86 51.35 3ir9 s ASN 354 Cb 0.00 -0.43 -0.04 0.00 0.41 0.00 0.00 41.25 41.19 3ir9 s ASN 354 CO 0.00 -0.82 0.35 0.00 -1.51 0.00 0.00 177.10 175.11 3ir9 h PRO 356 N 6.73 0.00 0.00 0.00 0.13 -1.95 -0.59 132.00 136.33 3ir9 h PRO 356 Ca -0.41 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.65 3ir9 h PRO 356 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3ir9 h PRO 356 CO 0.76 0.00 -0.78 1.63 -0.23 0.00 0.00 178.00 179.37 3ir9 n LYS 357 N -2.52 0.49 0.00 0.86 4.76 -1.26 -4.77 118.16 115.72 3ir9 n LYS 357 Ca 0.01 0.51 0.03 0.00 -2.87 0.00 0.00 58.31 55.99 3ir9 n LYS 357 Cb 0.21 -1.68 -0.02 0.00 -1.84 0.00 0.00 35.03 31.70 3ir9 n LYS 357 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ir9 n GLY 359 N 0.96 2.11 3.58 0.00 0.00 -0.23 -4.97 105.19 106.65 3ir9 n GLY 359 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 3ir9 n GLY 359 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ir9 s SER 360 N -3.52 0.98 -0.19 1.61 0.01 -1.26 -4.18 113.70 107.16 3ir9 s SER 360 Ca 0.00 0.74 -0.29 0.00 1.31 0.00 0.00 55.95 57.70 3ir9 s SER 360 Cb 0.00 -1.06 -0.01 0.00 0.21 0.00 0.00 66.02 65.17 3ir9 s SER 360 CO 0.00 -4.10 1.24 -0.55 0.41 0.00 0.00 173.24 170.24 3ir9 s SER 361 N -3.75 6.94 0.32 2.44 0.15 -1.26 -0.37 113.70 118.17 3ir9 s SER 361 Ca 0.70 1.60 -0.27 0.00 0.70 0.00 0.00 55.95 58.68 3ir9 s SER 361 Cb -0.11 -2.54 -0.09 0.00 -1.71 0.00 0.00 66.02 61.56 3ir9 s SER 361 CO 0.57 -0.78 1.00 -0.76 1.20 0.00 0.00 173.24 174.46 3ir9 s LEU 362 N 3.55 4.37 -0.04 3.45 1.43 0.24 -2.45 118.68 129.23 3ir9 s LEU 362 Ca 0.53 1.98 0.03 0.00 -1.03 0.00 0.00 54.13 55.65 3ir9 s LEU 362 Cb -0.20 -3.93 0.00 0.00 0.03 0.00 0.00 46.19 42.09 3ir9 s LEU 362 CO 0.14 -0.16 -0.13 -1.61 0.23 0.00 0.00 176.35 174.82 3ir9 s GLU 363 N -1.94 1.53 -0.31 1.70 2.02 -0.72 -3.71 118.70 117.27 3ir9 s GLU 363 Ca 0.50 -0.47 -0.28 0.00 0.02 0.00 0.00 54.97 54.74 3ir9 s GLU 363 Cb -0.23 -1.33 -0.02 0.00 0.10 0.00 0.00 34.13 32.65 3ir9 s GLU 363 CO 0.29 0.14 1.84 0.08 0.02 0.00 0.00 175.26 177.64 3ir9 s VAL 364 N 0.27 3.42 -0.80 2.63 1.01 -1.26 -1.63 120.40 124.03 3ir9 s VAL 364 Ca -0.07 0.43 0.24 0.00 0.00 0.00 0.00 61.98 62.58 3ir9 s VAL 364 Cb -0.12 -3.57 -0.07 0.00 0.00 0.00 0.00 36.38 32.63 3ir9 s VAL 364 CO 0.02 -0.36 1.19 0.35 0.00 0.00 0.00 175.10 176.30 3ir9 n THR 365 N 7.43 0.11 -3.64 3.92 -2.24 0.18 -4.93 114.28 115.11 3ir9 n THR 365 Ca 0.24 -0.13 -0.08 0.00 -2.27 0.00 0.00 64.05 61.80 3ir9 n THR 365 Cb 0.46 0.28 -0.07 0.00 -2.10 0.00 0.00 70.33 68.91 3ir9 n THR 365 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ir9 s ASP 366 N -3.51 -0.57 -0.06 3.42 2.15 -0.92 -5.00 116.67 112.18 3ir9 s ASP 366 Ca 0.07 1.04 0.05 0.00 0.43 0.00 0.00 52.55 54.14 3ir9 s ASP 366 Cb 0.16 1.11 -0.00 0.00 -0.30 0.00 0.00 42.92 43.89 3ir9 s ASP 366 CO 0.76 -0.17 -0.20 -0.69 -0.17 0.00 0.00 175.17 174.70 3ir9 s VAL 367 N 0.64 1.64 -0.03 1.11 1.01 -1.26 -0.91 120.40 122.61 3ir9 s VAL 367 Ca -0.01 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 3ir9 s VAL 367 Cb -0.05 -1.41 0.02 0.00 0.00 0.00 0.00 36.38 34.94 3ir9 s VAL 367 CO -0.08 0.47 0.06 -0.89 0.00 0.00 0.00 175.10 174.65 3ir9 s THR 368 N 0.08 -0.04 0.21 3.92 2.01 -0.89 -4.98 115.64 115.94 3ir9 s THR 368 Ca -0.07 0.14 -0.32 0.00 0.31 0.00 0.00 61.69 61.75 3ir9 s THR 368 Cb -0.13 -0.11 -0.13 0.00 0.01 0.00 0.00 72.50 72.14 3ir9 s THR 368 CO 0.04 0.06 1.63 -0.67 -0.69 0.00 0.00 174.62 174.98 3ir9 n ASP 369 N 3.82 3.56 -0.18 3.53 -0.08 -1.26 -0.95 116.55 125.00 3ir9 n ASP 369 Ca -0.23 1.09 -0.01 0.00 -1.51 0.00 0.00 54.79 54.14 3ir9 n ASP 369 Cb 0.54 -1.51 0.08 0.00 2.34 0.00 0.00 41.12 42.56 3ir9 n ASP 369 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 3ir9 h ILE 370 N 3.61 0.58 -0.82 5.18 1.08 -1.73 0.47 117.51 125.89 3ir9 h ILE 370 Ca -0.44 -0.05 0.09 0.00 -0.39 0.00 0.00 64.86 64.06 3ir9 h ILE 370 Cb 1.23 0.42 -0.06 0.00 -3.07 0.00 0.00 36.82 35.35 3ir9 h ILE 370 CO 0.89 0.03 0.53 0.58 -0.69 0.00 0.00 178.15 179.49 3ir9 h VAL 371 N 0.15 0.97 0.93 1.67 2.07 -1.90 -1.35 116.25 118.80 3ir9 h VAL 371 Ca 0.29 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.49 3ir9 h VAL 371 Cb 0.44 0.11 0.01 0.00 -1.52 0.00 0.00 31.29 30.33 3ir9 h VAL 371 CO -0.44 0.14 -0.45 0.44 0.02 0.00 0.00 177.57 177.28 3ir9 h ASP 372 N 0.79 -1.06 -0.47 0.57 5.19 -1.29 -1.18 116.42 118.97 3ir9 h ASP 372 Ca 0.37 0.04 0.09 0.00 -0.62 0.00 0.00 57.03 56.91 3ir9 h ASP 372 Cb 0.39 0.27 -0.08 0.00 0.18 0.00 0.00 39.33 40.10 3ir9 h ASP 372 CO -0.14 -0.74 -0.05 -0.08 -3.12 0.00 0.00 179.24 175.11 3ir9 h GLU 373 N -1.29 0.06 -0.15 3.56 4.81 -0.92 0.70 114.58 121.35 3ir9 h GLU 373 Ca -0.13 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.04 3ir9 h GLU 373 Cb 0.96 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 3ir9 h GLU 373 CO 0.21 0.04 -0.18 0.74 -0.73 0.00 0.00 179.01 179.09 3ir9 h PHE 374 N 0.06 0.26 0.10 0.92 -1.00 -1.30 0.20 116.94 116.18 3ir9 h PHE 374 Ca 0.23 -0.04 -0.00 0.00 2.81 0.00 0.00 57.97 60.97 3ir9 h PHE 374 Cb 0.35 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 39.84 3ir9 h PHE 374 CO -0.34 0.42 -0.05 0.77 -1.61 0.00 0.00 178.31 177.50 3ir9 h SER 375 N 0.23 -0.11 -0.48 2.17 0.02 0.19 -0.99 113.55 114.57 3ir9 h SER 375 Ca 0.04 -0.29 0.04 0.00 -0.84 0.00 0.00 61.79 60.74 3ir9 h SER 375 Cb 0.45 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.98 3ir9 h SER 375 CO 0.03 0.24 0.24 -0.33 -1.14 0.00 0.00 176.83 175.87 3ir9 h GLU 376 N -0.48 0.46 -0.82 3.45 3.07 -0.60 0.14 114.58 119.79 3ir9 h GLU 376 Ca -0.01 -0.03 0.16 0.00 -0.50 0.00 0.00 59.36 58.98 3ir9 h GLU 376 Cb 0.40 -0.10 -0.06 0.00 -0.84 0.00 0.00 28.75 28.15 3ir9 h GLU 376 CO 0.02 0.30 0.54 -0.07 -1.40 0.00 0.00 179.01 178.41 3ir9 h LEU 377 N 0.47 0.45 0.00 1.33 3.38 -0.56 -0.58 115.31 119.79 3ir9 h LEU 377 Ca 0.21 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.12 3ir9 h LEU 377 Cb 0.12 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3ir9 h LEU 377 CO -0.15 0.22 -0.62 0.00 0.09 0.00 0.00 178.44 177.98 3ir9 h ALA 378 N 1.63 0.71 0.00 1.53 0.00 0.36 -3.31 119.26 120.18 3ir9 h ALA 378 Ca 0.41 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 3ir9 h ALA 378 Cb 0.90 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3ir9 h ALA 378 CO -0.15 0.51 -0.65 0.22 0.00 0.00 0.00 179.25 179.18 3ir9 h ASP 379 N 0.00 0.00 1.12 0.00 3.58 0.82 -1.39 116.42 120.54 3ir9 h ASP 379 Ca -0.03 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.27 3ir9 h ASP 379 Cb 1.32 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.35 3ir9 h ASP 379 CO 0.04 0.65 -0.73 0.07 -2.88 0.00 0.00 179.24 176.40 3ir9 h LYS 380 N 0.00 0.00 -0.02 0.28 2.10 -1.57 -3.18 116.57 114.17 3ir9 h LYS 380 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 3ir9 h LYS 380 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 3ir9 h LYS 380 CO 0.08 0.73 -0.06 -1.13 -2.00 0.00 0.00 179.45 177.07 3ir9 n SER 381 N -3.37 2.53 -3.20 7.07 3.41 -1.23 -4.98 113.62 113.85 3ir9 n SER 381 Ca 0.01 -1.81 -0.23 0.00 -0.26 0.00 0.00 58.87 56.58 3ir9 n SER 381 Cb 0.79 0.06 0.05 0.00 -0.26 0.00 0.00 64.21 64.85 3ir9 n SER 381 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3ir9 n ASN 382 N 0.90 -6.26 -4.76 4.04 5.03 -0.83 -4.99 115.26 108.39 3ir9 n ASN 382 Ca 0.14 -0.37 -0.39 0.00 0.87 0.00 0.00 54.58 54.84 3ir9 n ASN 382 Cb 0.53 -5.01 -0.06 0.00 -1.02 0.00 0.00 39.78 34.22 3ir9 n ASN 382 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3ir9 s ALA 383 N -3.23 3.29 -0.19 5.41 0.00 -0.59 -5.00 121.76 121.45 3ir9 s ALA 383 Ca 0.39 0.64 -0.29 0.00 0.00 0.00 0.00 51.96 52.70 3ir9 s ALA 383 Cb -0.17 -3.23 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 3ir9 s ALA 383 CO 0.49 0.11 1.23 0.15 0.00 0.00 0.00 175.76 177.74 3ir9 s LYS 384 N -1.60 4.20 -0.22 0.00 1.02 -1.06 -4.76 119.74 117.31 3ir9 s LYS 384 Ca 0.46 1.56 -0.10 0.00 0.02 0.00 0.00 55.97 57.91 3ir9 s LYS 384 Cb -0.24 -3.76 -0.05 0.00 -0.52 0.00 0.00 37.83 33.26 3ir9 s LYS 384 CO 0.31 -0.74 0.14 0.08 -0.92 0.00 0.00 175.35 174.21 3ir9 s VAL 385 N 3.55 5.31 -0.07 3.17 1.01 -1.26 -0.87 120.40 131.25 3ir9 s VAL 385 Ca 0.53 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.69 3ir9 s VAL 385 Cb -0.20 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 32.74 3ir9 s VAL 385 CO 0.14 0.38 -0.11 -0.69 0.00 0.00 0.00 175.10 174.83 3ir9 s VAL 386 N 0.80 1.06 -0.24 2.92 1.01 -0.29 -4.99 120.40 120.68 3ir9 s VAL 386 Ca 0.07 -0.42 -0.14 0.00 0.00 0.00 0.00 61.98 61.49 3ir9 s VAL 386 Cb -0.13 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 3ir9 s VAL 386 CO 0.02 0.34 0.32 -0.36 0.00 0.00 0.00 175.10 175.43 3ir9 s PHE 387 N 0.82 3.31 -0.03 5.22 0.08 -1.26 -1.02 117.98 125.11 3ir9 s PHE 387 Ca -0.12 0.43 0.04 0.00 0.12 0.00 0.00 56.93 57.41 3ir9 s PHE 387 Cb -0.15 -2.47 -0.03 0.00 -0.57 0.00 0.00 43.02 39.80 3ir9 s PHE 387 CO 0.02 -0.07 -0.14 0.08 -0.10 0.00 0.00 175.22 175.01 3ir9 s VAL 388 N 1.51 3.09 -0.09 -0.44 1.01 0.50 -4.83 120.40 121.14 3ir9 s VAL 388 Ca 0.14 -0.80 0.11 0.00 0.00 0.00 0.00 61.98 61.44 3ir9 s VAL 388 Cb -0.15 -2.24 0.18 0.00 0.00 0.00 0.00 36.38 34.17 3ir9 s VAL 388 CO 0.08 0.53 1.10 -1.54 0.00 0.00 0.00 175.10 175.27 3ir9 n SER 389 N 2.12 2.25 0.00 3.32 3.41 -1.26 -0.93 113.62 122.52 3ir9 n SER 389 Ca -0.17 -2.63 0.00 0.00 -0.26 0.00 0.00 58.87 55.82 3ir9 n SER 389 Cb 0.52 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 3ir9 n SER 389 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ir9 n GLY 395 N -1.00 -0.03 0.45 5.00 0.00 -1.26 -4.91 105.19 103.43 3ir9 n GLY 395 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 3ir9 n GLY 395 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ir9 n SER 396 N 0.00 1.71 0.16 1.61 3.41 -1.26 -3.64 113.62 115.61 3ir9 n SER 396 Ca 0.00 -1.33 0.13 0.00 -0.26 0.00 0.00 58.87 57.41 3ir9 n SER 396 Cb 0.00 0.27 0.40 0.00 -0.26 0.00 0.00 64.21 64.63 3ir9 n SER 396 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3ir9 h GLN 397 N 2.18 0.00 -0.97 4.33 4.15 -2.00 -2.28 115.11 120.52 3ir9 h GLN 397 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3ir9 h GLN 397 Cb 0.67 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.36 3ir9 h GLN 397 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 178.83 176.79 3ir9 n LEU 398 N -2.59 1.52 0.00 -2.39 7.94 -1.24 -1.49 117.00 118.75 3ir9 n LEU 398 Ca 0.04 -0.76 0.00 0.00 -1.11 0.00 0.00 56.01 54.18 3ir9 n LEU 398 Cb 0.40 -0.47 0.00 0.00 0.53 0.00 0.00 43.42 43.88 3ir9 n LEU 398 CO 0.29 0.31 0.00 0.59 -1.11 0.00 0.00 177.39 177.46 3ir9 n ASN 400 N 0.19 0.00 0.25 1.96 3.02 -0.86 -0.76 115.26 119.07 3ir9 n ASN 400 Ca 0.00 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.68 3ir9 n ASN 400 Cb 0.31 0.00 0.63 0.00 -0.61 0.00 0.00 39.78 40.10 3ir9 n ASN 400 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ir9 h ALA 401 N 0.00 1.11 0.00 5.41 0.00 -1.47 -3.34 119.26 120.98 3ir9 h ALA 401 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3ir9 h ALA 401 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3ir9 h ALA 401 CO 0.00 0.18 -0.11 1.19 0.00 0.00 0.00 179.25 180.52 3ir9 n PHE 402 N -3.43 0.00 -0.08 0.00 3.01 -0.90 -5.04 117.46 111.02 3ir9 n PHE 402 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 3ir9 n PHE 402 Cb 0.32 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.79 3ir9 n PHE 402 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ir9 n GLY 403 N 0.48 0.95 2.87 1.37 0.00 0.06 -3.87 105.19 107.06 3ir9 n GLY 403 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3ir9 n GLY 403 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ir9 n GLY 404 N -2.08 0.93 3.02 -0.02 0.00 -0.07 -4.92 105.19 102.05 3ir9 n GLY 404 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3ir9 n GLY 404 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ir9 s ILE 405 N -3.74 1.27 0.16 -0.61 1.01 -1.26 -0.44 121.20 117.60 3ir9 s ILE 405 Ca 0.00 -0.52 -0.21 0.00 0.00 0.00 0.00 60.65 59.91 3ir9 s ILE 405 Cb 0.00 -1.18 0.06 0.00 0.01 0.00 0.00 42.46 41.35 3ir9 s ILE 405 CO 0.00 0.39 0.56 0.00 0.00 0.00 0.00 174.94 175.89 3ir9 s ALA 406 N 0.92 -1.42 -0.09 9.38 0.00 -0.78 -1.19 121.76 128.58 3ir9 s ALA 406 Ca -0.09 0.32 -0.16 0.00 0.00 0.00 0.00 51.96 52.03 3ir9 s ALA 406 Cb -0.15 0.85 0.04 0.00 0.00 0.00 0.00 23.12 23.85 3ir9 s ALA 406 CO 0.00 -0.76 0.39 0.00 0.00 0.00 0.00 175.76 175.40 3ir9 s ALA 407 N -3.77 -0.98 -0.36 0.00 0.00 0.30 -0.16 121.76 116.79 3ir9 s ALA 407 Ca 0.02 0.83 -0.12 0.00 0.00 0.00 0.00 51.96 52.69 3ir9 s ALA 407 Cb -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.80 3ir9 s ALA 407 CO -0.12 -0.23 0.23 0.42 0.00 0.00 0.00 175.76 176.06 3ir9 s ILE 408 N -0.51 5.00 1.28 0.00 1.01 0.35 -1.58 121.20 126.76 3ir9 s ILE 408 Ca -0.06 -0.49 -0.21 0.00 0.00 0.00 0.00 60.65 59.89 3ir9 s ILE 408 Cb -0.04 -3.66 0.32 0.00 0.01 0.00 0.00 42.46 39.09 3ir9 s ILE 408 CO 0.03 -0.11 1.06 -0.76 0.00 0.00 0.00 174.94 175.15 3ir9 s LEU 409 N 1.66 0.09 -0.02 2.97 1.43 0.37 -0.48 118.68 124.71 3ir9 s LEU 409 Ca 0.05 0.67 0.22 0.00 -1.03 0.00 0.00 54.13 54.03 3ir9 s LEU 409 Cb -0.18 -2.28 -0.30 0.00 0.03 0.00 0.00 46.19 43.46 3ir9 s LEU 409 CO 0.09 -4.57 0.51 0.54 0.23 0.00 0.00 176.35 173.15 3ir9 n ARG 410 N -5.07 0.66 -3.73 1.70 1.74 0.16 -3.83 116.66 108.30 3ir9 n ARG 410 Ca 0.13 -0.15 -0.06 0.00 -0.77 0.00 0.00 57.85 57.00 3ir9 n ARG 410 Cb 0.60 -1.55 -0.02 0.00 -1.02 0.00 0.00 32.46 30.47 3ir9 n ARG 410 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 3ir9 s TYR 411 N -3.42 -0.22 0.06 -1.55 -0.85 -1.26 -5.02 117.35 105.08 3ir9 s TYR 411 Ca -0.07 -0.11 -0.30 0.00 -0.52 0.00 0.00 57.07 56.07 3ir9 s TYR 411 Cb 0.13 0.65 -0.05 0.00 0.38 0.00 0.00 41.96 43.06 3ir9 s TYR 411 CO 0.89 -0.95 1.10 1.21 -1.52 0.00 0.00 175.55 176.28 3ir9 s ASN 412 N -2.86 7.22 -0.01 -0.18 3.04 -1.25 -4.72 114.94 116.19 3ir9 s ASN 412 Ca 0.10 1.89 0.07 0.00 0.04 0.00 0.00 52.86 54.96 3ir9 s ASN 412 Cb -0.03 -2.58 -0.10 0.00 -1.54 0.00 0.00 41.25 37.00 3ir9 s ASN 412 CO 0.01 -0.35 0.20 0.35 -3.04 0.00 0.00 177.10 174.27 3ir9 n THR 413 N 3.68 0.00 -0.99 -5.21 -2.24 -1.25 -4.96 114.28 103.31 3ir9 n THR 413 Ca 0.07 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3ir9 n THR 413 Cb 0.48 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 3ir9 n THR 413 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ir9 n GLY 414 N 1.77 0.72 0.75 3.38 0.00 -1.26 -5.21 105.19 105.33 3ir9 n GLY 414 Ca -0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 3ir9 n GLY 414 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70